----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:05:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.557704815016398 -5.092328364999999 0.000000000000000 b 6.557704815016398 5.092328364999999 0.000000000000000 c -0.065813215466777 0.000000000000000 6.423763352837923 Atomic positions (fractional): *1 N 0.41849108542311 0.17033276911358 0.41490392949024 14.007 2 N 0.17033276911358 0.41849108542311 0.91490392949024 14.007 3 N 0.58150891457689 0.82966723088642 0.58509607050976 14.007 4 N 0.82966723088642 0.58150891457689 0.08509607050976 14.007 *5 Se 0.75519125541019 0.01572352005189 0.03340951227587 78.960 *6 Se 0.40333865713662 0.59666134286338 0.25000000000000 78.960 7 Se 0.98427647994811 0.24480874458981 0.46659048772413 78.960 8 Se 0.24480874458981 0.98427647994811 0.96659048772413 78.960 9 Se 0.59666134286338 0.40333865713662 0.75000000000000 78.960 10 Se 0.01572352005189 0.75519125541019 0.53340951227587 78.960 *11 Pr 0.25465862043971 0.41582973896852 0.56919552944747 140.908 12 Pr 0.58417026103148 0.74534137956029 0.93080447055253 140.908 13 Pr 0.74534137956029 0.58417026103148 0.43080447055253 140.908 14 Pr 0.41582973896852 0.25465862043971 0.06919552944747 140.908 *15 Pr 0.69189503295656 0.05737864622547 0.53086941747985 140.908 16 Pr 0.94262135377453 0.30810496704344 0.96913058252015 140.908 17 Pr 0.30810496704344 0.94262135377453 0.46913058252015 140.908 18 Pr 0.05737864622547 0.69189503295656 0.03086941747985 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.115409630032795 0.000000000000000 0.000000000000000 b 0.000000000000000 10.184656729999999 0.000000000000000 c -0.065813215466777 0.000000000000000 6.423763352837923 Atomic positions (fractional): *1 N 0.29441192726834 0.87592084184523 0.41490392949024 14.007 > 1 2 N 0.29441192726834 0.12407915815477 0.91490392949024 14.007 > 2 3 N 0.70558807273166 0.12407915815477 0.58509607050976 14.007 > 3 4 N 0.70558807273166 0.87592084184523 0.08509607050976 14.007 > 4 5 N 0.79441192726834 0.37592084184523 0.41490392949024 14.007 > 1 6 N 0.79441192726834 0.62407915815477 0.91490392949024 14.007 > 2 7 N 0.20558807273166 0.62407915815477 0.58509607050976 14.007 > 3 8 N 0.20558807273166 0.37592084184523 0.08509607050976 14.007 > 4 *9 Se 0.38545738773104 0.63026613232085 0.03340951227587 78.960 > 5 *10 Se 0.50000000000000 0.09666134286338 0.25000000000000 78.960 > 6 11 Se 0.61454261226896 0.63026613232085 0.46659048772413 78.960 > 7 12 Se 0.61454261226896 0.36973386767915 0.96659048772413 78.960 > 8 13 Se 0.50000000000000 0.90333865713662 0.75000000000000 78.960 > 9 14 Se 0.38545738773104 0.36973386767915 0.53340951227587 78.960 > 10 15 Se 0.88545738773104 0.13026613232085 0.03340951227587 78.960 > 5 16 Se 0.00000000000000 0.59666134286338 0.25000000000000 78.960 > 6 17 Se 0.11454261226896 0.13026613232085 0.46659048772413 78.960 > 7 18 Se 0.11454261226896 0.86973386767915 0.96659048772413 78.960 > 8 19 Se 0.00000000000000 0.40333865713662 0.75000000000000 78.960 > 9 20 Se 0.88545738773104 0.86973386767915 0.53340951227587 78.960 > 10 *21 Pr 0.33524417970412 0.08058555926440 0.56919552944747 140.908 > 11 22 Pr 0.66475582029588 0.08058555926440 0.93080447055253 140.908 > 12 23 Pr 0.66475582029588 0.91941444073560 0.43080447055253 140.908 > 13 24 Pr 0.33524417970412 0.91941444073560 0.06919552944747 140.908 > 14 *25 Pr 0.37463683959101 0.68274180663445 0.53086941747985 140.908 > 15 26 Pr 0.62536316040899 0.68274180663445 0.96913058252015 140.908 > 16 27 Pr 0.62536316040899 0.31725819336555 0.46913058252015 140.908 > 17 28 Pr 0.37463683959101 0.31725819336555 0.03086941747985 140.908 > 18 29 Pr 0.83524417970412 0.58058555926440 0.56919552944747 140.908 > 11 30 Pr 0.16475582029588 0.58058555926440 0.93080447055253 140.908 > 12 31 Pr 0.16475582029588 0.41941444073560 0.43080447055253 140.908 > 13 32 Pr 0.83524417970412 0.41941444073560 0.06919552944747 140.908 > 14 33 Pr 0.87463683959101 0.18274180663445 0.53086941747985 140.908 > 15 34 Pr 0.12536316040899 0.18274180663445 0.96913058252015 140.908 > 16 35 Pr 0.12536316040899 0.81725819336555 0.46913058252015 140.908 > 17 36 Pr 0.87463683959101 0.81725819336555 0.03086941747985 140.908 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.115409630032795 0.000000000000000 0.000000000000000 b 0.000000000000000 20.369313459999997 0.000000000000000 c -0.131626430933554 0.000000000000000 12.847526705675847 Atomic positions (fractional): *1 N 0.29441192726834 0.43796042092262 0.20745196474512 14.007 > 1 2 N 0.29441192726834 0.93796042092262 0.20745196474512 14.007 > 1 3 N 0.29441192726834 0.43796042092262 0.70745196474512 14.007 > 1 4 N 0.29441192726834 0.93796042092262 0.70745196474512 14.007 > 1 5 N 0.29441192726834 0.06203957907738 0.45745196474512 14.007 > 2 6 N 0.29441192726834 0.56203957907738 0.45745196474512 14.007 > 2 7 N 0.29441192726834 0.06203957907738 0.95745196474512 14.007 > 2 8 N 0.29441192726834 0.56203957907738 0.95745196474512 14.007 > 2 9 N 0.70558807273166 0.06203957907738 0.29254803525488 14.007 > 3 10 N 0.70558807273166 0.56203957907738 0.29254803525488 14.007 > 3 11 N 0.70558807273166 0.06203957907738 0.79254803525488 14.007 > 3 12 N 0.70558807273166 0.56203957907738 0.79254803525488 14.007 > 3 13 N 0.70558807273166 0.43796042092262 0.04254803525488 14.007 > 4 14 N 0.70558807273166 0.93796042092262 0.04254803525488 14.007 > 4 15 N 0.70558807273166 0.43796042092262 0.54254803525488 14.007 > 4 16 N 0.70558807273166 0.93796042092262 0.54254803525488 14.007 > 4 17 N 0.79441192726834 0.18796042092262 0.20745196474512 14.007 > 1 18 N 0.79441192726834 0.68796042092262 0.20745196474512 14.007 > 1 19 N 0.79441192726834 0.18796042092262 0.70745196474512 14.007 > 1 20 N 0.79441192726834 0.68796042092262 0.70745196474512 14.007 > 1 21 N 0.79441192726834 0.31203957907738 0.45745196474512 14.007 > 2 22 N 0.79441192726834 0.81203957907738 0.45745196474512 14.007 > 2 23 N 0.79441192726834 0.31203957907738 0.95745196474512 14.007 > 2 24 N 0.79441192726834 0.81203957907738 0.95745196474512 14.007 > 2 25 N 0.20558807273166 0.31203957907738 0.29254803525488 14.007 > 3 26 N 0.20558807273166 0.81203957907738 0.29254803525488 14.007 > 3 27 N 0.20558807273166 0.31203957907738 0.79254803525488 14.007 > 3 28 N 0.20558807273166 0.81203957907738 0.79254803525488 14.007 > 3 29 N 0.20558807273166 0.18796042092262 0.04254803525488 14.007 > 4 30 N 0.20558807273166 0.68796042092262 0.04254803525488 14.007 > 4 31 N 0.20558807273166 0.18796042092262 0.54254803525488 14.007 > 4 32 N 0.20558807273166 0.68796042092262 0.54254803525488 14.007 > 4 *33 Se 0.38545738773104 0.31513306616042 0.01670475613794 78.960 > 5 34 Se 0.38545738773104 0.81513306616042 0.01670475613794 78.960 > 5 35 Se 0.38545738773104 0.31513306616042 0.51670475613794 78.960 > 5 36 Se 0.38545738773104 0.81513306616042 0.51670475613794 78.960 > 5 *37 Se 0.50000000000000 0.04833067143169 0.12500000000000 78.960 > 6 38 Se 0.50000000000000 0.54833067143169 0.12500000000000 78.960 > 6 39 Se 0.50000000000000 0.04833067143169 0.62500000000000 78.960 > 6 40 Se 0.50000000000000 0.54833067143169 0.62500000000000 78.960 > 6 41 Se 0.61454261226896 0.31513306616042 0.23329524386206 78.960 > 7 42 Se 0.61454261226896 0.81513306616042 0.23329524386206 78.960 > 7 43 Se 0.61454261226896 0.31513306616042 0.73329524386206 78.960 > 7 44 Se 0.61454261226896 0.81513306616042 0.73329524386206 78.960 > 7 45 Se 0.61454261226896 0.18486693383958 0.48329524386206 78.960 > 8 46 Se 0.61454261226896 0.68486693383958 0.48329524386206 78.960 > 8 47 Se 0.61454261226896 0.18486693383958 0.98329524386206 78.960 > 8 48 Se 0.61454261226896 0.68486693383958 0.98329524386206 78.960 > 8 49 Se 0.50000000000000 0.45166932856831 0.37500000000000 78.960 > 9 50 Se 0.50000000000000 0.95166932856831 0.37500000000000 78.960 > 9 51 Se 0.50000000000000 0.45166932856831 0.87500000000000 78.960 > 9 52 Se 0.50000000000000 0.95166932856831 0.87500000000000 78.960 > 9 53 Se 0.38545738773104 0.18486693383958 0.26670475613794 78.960 > 10 54 Se 0.38545738773104 0.68486693383958 0.26670475613794 78.960 > 10 55 Se 0.38545738773104 0.18486693383958 0.76670475613794 78.960 > 10 56 Se 0.38545738773104 0.68486693383958 0.76670475613794 78.960 > 10 57 Se 0.88545738773104 0.06513306616042 0.01670475613794 78.960 > 5 58 Se 0.88545738773104 0.56513306616042 0.01670475613794 78.960 > 5 59 Se 0.88545738773104 0.06513306616042 0.51670475613794 78.960 > 5 60 Se 0.88545738773104 0.56513306616042 0.51670475613794 78.960 > 5 61 Se 0.00000000000000 0.29833067143169 0.12500000000000 78.960 > 6 62 Se 0.00000000000000 0.79833067143169 0.12500000000000 78.960 > 6 63 Se 0.00000000000000 0.29833067143169 0.62500000000000 78.960 > 6 64 Se 0.00000000000000 0.79833067143169 0.62500000000000 78.960 > 6 65 Se 0.11454261226896 0.06513306616042 0.23329524386206 78.960 > 7 66 Se 0.11454261226896 0.56513306616042 0.23329524386206 78.960 > 7 67 Se 0.11454261226896 0.06513306616042 0.73329524386206 78.960 > 7 68 Se 0.11454261226896 0.56513306616042 0.73329524386206 78.960 > 7 69 Se 0.11454261226896 0.43486693383958 0.48329524386206 78.960 > 8 70 Se 0.11454261226896 0.93486693383958 0.48329524386206 78.960 > 8 71 Se 0.11454261226896 0.43486693383958 0.98329524386206 78.960 > 8 72 Se 0.11454261226896 0.93486693383958 0.98329524386206 78.960 > 8 73 Se 0.00000000000000 0.20166932856831 0.37500000000000 78.960 > 9 74 Se 0.00000000000000 0.70166932856831 0.37500000000000 78.960 > 9 75 Se 0.00000000000000 0.20166932856831 0.87500000000000 78.960 > 9 76 Se 0.00000000000000 0.70166932856831 0.87500000000000 78.960 > 9 77 Se 0.88545738773104 0.43486693383958 0.26670475613794 78.960 > 10 78 Se 0.88545738773104 0.93486693383958 0.26670475613794 78.960 > 10 79 Se 0.88545738773104 0.43486693383958 0.76670475613794 78.960 > 10 80 Se 0.88545738773104 0.93486693383958 0.76670475613794 78.960 > 10 *81 Pr 0.33524417970412 0.04029277963220 0.28459776472374 140.908 > 11 82 Pr 0.33524417970412 0.54029277963220 0.28459776472374 140.908 > 11 83 Pr 0.33524417970412 0.04029277963220 0.78459776472374 140.908 > 11 84 Pr 0.33524417970412 0.54029277963220 0.78459776472374 140.908 > 11 85 Pr 0.66475582029588 0.04029277963220 0.46540223527626 140.908 > 12 86 Pr 0.66475582029588 0.54029277963220 0.46540223527626 140.908 > 12 87 Pr 0.66475582029588 0.04029277963220 0.96540223527626 140.908 > 12 88 Pr 0.66475582029588 0.54029277963220 0.96540223527626 140.908 > 12 89 Pr 0.66475582029588 0.45970722036780 0.21540223527626 140.908 > 13 90 Pr 0.66475582029588 0.95970722036780 0.21540223527626 140.908 > 13 91 Pr 0.66475582029588 0.45970722036780 0.71540223527626 140.908 > 13 92 Pr 0.66475582029588 0.95970722036780 0.71540223527626 140.908 > 13 93 Pr 0.33524417970412 0.45970722036780 0.03459776472374 140.908 > 14 94 Pr 0.33524417970412 0.95970722036780 0.03459776472374 140.908 > 14 95 Pr 0.33524417970412 0.45970722036780 0.53459776472374 140.908 > 14 96 Pr 0.33524417970412 0.95970722036780 0.53459776472374 140.908 > 14 *97 Pr 0.37463683959101 0.34137090331723 0.26543470873993 140.908 > 15 98 Pr 0.37463683959101 0.84137090331723 0.26543470873993 140.908 > 15 99 Pr 0.37463683959101 0.34137090331723 0.76543470873993 140.908 > 15 100 Pr 0.37463683959101 0.84137090331723 0.76543470873993 140.908 > 15 101 Pr 0.62536316040899 0.34137090331723 0.48456529126007 140.908 > 16 102 Pr 0.62536316040899 0.84137090331723 0.48456529126007 140.908 > 16 103 Pr 0.62536316040899 0.34137090331723 0.98456529126007 140.908 > 16 104 Pr 0.62536316040899 0.84137090331723 0.98456529126007 140.908 > 16 105 Pr 0.62536316040899 0.15862909668277 0.23456529126007 140.908 > 17 106 Pr 0.62536316040899 0.65862909668277 0.23456529126007 140.908 > 17 107 Pr 0.62536316040899 0.15862909668277 0.73456529126007 140.908 > 17 108 Pr 0.62536316040899 0.65862909668277 0.73456529126007 140.908 > 17 109 Pr 0.37463683959101 0.15862909668277 0.01543470873993 140.908 > 18 110 Pr 0.37463683959101 0.65862909668277 0.01543470873993 140.908 > 18 111 Pr 0.37463683959101 0.15862909668277 0.51543470873993 140.908 > 18 112 Pr 0.37463683959101 0.65862909668277 0.51543470873993 140.908 > 18 113 Pr 0.83524417970412 0.29029277963220 0.28459776472374 140.908 > 11 114 Pr 0.83524417970412 0.79029277963220 0.28459776472374 140.908 > 11 115 Pr 0.83524417970412 0.29029277963220 0.78459776472374 140.908 > 11 116 Pr 0.83524417970412 0.79029277963220 0.78459776472374 140.908 > 11 117 Pr 0.16475582029588 0.29029277963220 0.46540223527626 140.908 > 12 118 Pr 0.16475582029588 0.79029277963220 0.46540223527626 140.908 > 12 119 Pr 0.16475582029588 0.29029277963220 0.96540223527626 140.908 > 12 120 Pr 0.16475582029588 0.79029277963220 0.96540223527626 140.908 > 12 121 Pr 0.16475582029588 0.20970722036780 0.21540223527626 140.908 > 13 122 Pr 0.16475582029588 0.70970722036780 0.21540223527626 140.908 > 13 123 Pr 0.16475582029588 0.20970722036780 0.71540223527626 140.908 > 13 124 Pr 0.16475582029588 0.70970722036780 0.71540223527626 140.908 > 13 125 Pr 0.83524417970412 0.20970722036780 0.03459776472374 140.908 > 14 126 Pr 0.83524417970412 0.70970722036780 0.03459776472374 140.908 > 14 127 Pr 0.83524417970412 0.20970722036780 0.53459776472374 140.908 > 14 128 Pr 0.83524417970412 0.70970722036780 0.53459776472374 140.908 > 14 129 Pr 0.87463683959101 0.09137090331723 0.26543470873993 140.908 > 15 130 Pr 0.87463683959101 0.59137090331723 0.26543470873993 140.908 > 15 131 Pr 0.87463683959101 0.09137090331723 0.76543470873993 140.908 > 15 132 Pr 0.87463683959101 0.59137090331723 0.76543470873993 140.908 > 15 133 Pr 0.12536316040899 0.09137090331723 0.48456529126007 140.908 > 16 134 Pr 0.12536316040899 0.59137090331723 0.48456529126007 140.908 > 16 135 Pr 0.12536316040899 0.09137090331723 0.98456529126007 140.908 > 16 136 Pr 0.12536316040899 0.59137090331723 0.98456529126007 140.908 > 16 137 Pr 0.12536316040899 0.40862909668277 0.23456529126007 140.908 > 17 138 Pr 0.12536316040899 0.90862909668277 0.23456529126007 140.908 > 17 139 Pr 0.12536316040899 0.40862909668277 0.73456529126007 140.908 > 17 140 Pr 0.12536316040899 0.90862909668277 0.73456529126007 140.908 > 17 141 Pr 0.87463683959101 0.40862909668277 0.01543470873993 140.908 > 18 142 Pr 0.87463683959101 0.90862909668277 0.01543470873993 140.908 > 18 143 Pr 0.87463683959101 0.40862909668277 0.51543470873993 140.908 > 18 144 Pr 0.87463683959101 0.90862909668277 0.51543470873993 140.908 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2224993 0.0000000 -0.2579140 0.0000000 8.4948824 0.0000000 -0.2579120 0.0000000 8.4506136 -------------------------- Born effective charges -------------------------- 1 N -3.7032111 -0.1564121 0.2729434 -0.4014815 -4.3645718 0.4592493 0.0746773 -0.0069132 -3.8370629 2 N -3.7032111 0.1564121 0.2729434 0.4014815 -4.3645718 -0.4592493 0.0746773 0.0069132 -3.8370629 3 N -3.7032111 -0.1564121 0.2729434 -0.4014815 -4.3645718 0.4592493 0.0746773 -0.0069132 -3.8370629 4 N -3.7032111 0.1564121 0.2729434 0.4014815 -4.3645718 -0.4592493 0.0746773 0.0069132 -3.8370629 5 Se -2.5286727 -0.1978928 -0.0309121 -0.2382759 -2.5657199 -0.0388039 -0.0625210 -0.0419421 -2.6571231 6 Se -3.1468069 0.0000000 0.0356703 0.0000000 -2.3655570 0.0000000 0.4171310 0.0000000 -2.0606222 7 Se -2.5286727 0.1978928 -0.0309121 0.2382759 -2.5657199 0.0388039 -0.0625210 0.0419421 -2.6571231 8 Se -2.5286727 -0.1978928 -0.0309121 -0.2382759 -2.5657199 -0.0388039 -0.0625210 -0.0419421 -2.6571231 9 Se -3.1468069 0.0000000 0.0356703 0.0000000 -2.3655570 0.0000000 0.4171310 0.0000000 -2.0606222 10 Se -2.5286727 0.1978928 -0.0309121 0.2382759 -2.5657199 0.0388039 -0.0625210 0.0419421 -2.6571231 11 Pr 3.6514418 -0.5613739 -0.4102813 -0.7584455 4.0937464 0.6229400 -0.4132494 0.7053227 4.0795835 12 Pr 3.6514418 0.5613739 -0.4102813 0.7584455 4.0937464 -0.6229400 -0.4132494 -0.7053227 4.0795835 13 Pr 3.6514418 -0.5613739 -0.4102813 -0.7584455 4.0937464 0.6229400 -0.4132494 0.7053227 4.0795835 14 Pr 3.6514418 0.5613739 -0.4102813 0.7584455 4.0937464 -0.6229400 -0.4132494 -0.7053227 4.0795835 15 Pr 4.1538455 0.1272067 0.1504148 0.2178898 4.0193238 -0.4871611 0.1925276 -0.4058025 3.4449137 16 Pr 4.1538455 -0.1272067 0.1504148 -0.2178898 4.0193238 0.4871611 0.1925276 0.4058025 3.4449137 17 Pr 4.1538455 0.1272067 0.1504148 0.2178898 4.0193238 -0.4871611 0.1925276 -0.4058025 3.4449137 18 Pr 4.1538455 -0.1272067 0.1504148 -0.2178898 4.0193238 0.4871611 0.1925276 0.4058025 3.4449137 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.196 Solver_block: 200 / 560 - Time: 1.209 Solver_block: 300 / 560 - Time: 1.089 Solver_block: 400 / 560 - Time: 1.097 Solver_block: 500 / 560 - Time: 1.173 Solver_block: 560 / 560 - Time: 0.775 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.725 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:06:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:06:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.557704815016398 -5.092328364999999 0.000000000000000 b 6.557704815016398 5.092328364999999 0.000000000000000 c -0.065813215466777 0.000000000000000 6.423763352837923 Atomic positions (fractional): 1 N 0.41849108542311 0.17033276911358 0.41490392949024 14.007 2 N 0.17033276911358 0.41849108542311 0.91490392949024 14.007 3 N 0.58150891457689 0.82966723088642 0.58509607050976 14.007 4 N 0.82966723088642 0.58150891457689 0.08509607050976 14.007 5 Se 0.75519125541019 0.01572352005189 0.03340951227587 78.960 6 Se 0.40333865713662 0.59666134286338 0.25000000000000 78.960 7 Se 0.98427647994811 0.24480874458981 0.46659048772413 78.960 8 Se 0.24480874458981 0.98427647994811 0.96659048772413 78.960 9 Se 0.59666134286338 0.40333865713662 0.75000000000000 78.960 10 Se 0.01572352005189 0.75519125541019 0.53340951227587 78.960 11 Pr 0.25465862043971 0.41582973896852 0.56919552944747 140.908 12 Pr 0.58417026103148 0.74534137956029 0.93080447055253 140.908 13 Pr 0.74534137956029 0.58417026103148 0.43080447055253 140.908 14 Pr 0.41582973896852 0.25465862043971 0.06919552944747 140.908 15 Pr 0.69189503295656 0.05737864622547 0.53086941747985 140.908 16 Pr 0.94262135377453 0.30810496704344 0.96913058252015 140.908 17 Pr 0.30810496704344 0.94262135377453 0.46913058252015 140.908 18 Pr 0.05737864622547 0.69189503295656 0.03086941747985 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.115409630032795 0.000000000000000 0.000000000000000 b 0.000000000000000 20.369313459999997 0.000000000000000 c -0.131626430933554 0.000000000000000 12.847526705675847 Atomic positions (fractional): 1 N 0.29441192726834 0.43796042092262 0.20745196474512 14.007 > 1 2 N 0.29441192726834 0.93796042092262 0.20745196474512 14.007 > 1 3 N 0.29441192726834 0.43796042092262 0.70745196474512 14.007 > 1 4 N 0.29441192726834 0.93796042092262 0.70745196474512 14.007 > 1 5 N 0.29441192726834 0.06203957907738 0.45745196474512 14.007 > 5 6 N 0.29441192726834 0.56203957907738 0.45745196474512 14.007 > 5 7 N 0.29441192726834 0.06203957907738 0.95745196474512 14.007 > 5 8 N 0.29441192726834 0.56203957907738 0.95745196474512 14.007 > 5 9 N 0.70558807273166 0.06203957907738 0.29254803525488 14.007 > 9 10 N 0.70558807273166 0.56203957907738 0.29254803525488 14.007 > 9 11 N 0.70558807273166 0.06203957907738 0.79254803525488 14.007 > 9 12 N 0.70558807273166 0.56203957907738 0.79254803525488 14.007 > 9 13 N 0.70558807273166 0.43796042092262 0.04254803525488 14.007 > 13 14 N 0.70558807273166 0.93796042092262 0.04254803525488 14.007 > 13 15 N 0.70558807273166 0.43796042092262 0.54254803525488 14.007 > 13 16 N 0.70558807273166 0.93796042092262 0.54254803525488 14.007 > 13 17 N 0.79441192726834 0.18796042092262 0.20745196474512 14.007 > 1 18 N 0.79441192726834 0.68796042092262 0.20745196474512 14.007 > 1 19 N 0.79441192726834 0.18796042092262 0.70745196474512 14.007 > 1 20 N 0.79441192726834 0.68796042092262 0.70745196474512 14.007 > 1 21 N 0.79441192726834 0.31203957907738 0.45745196474512 14.007 > 5 22 N 0.79441192726834 0.81203957907738 0.45745196474512 14.007 > 5 23 N 0.79441192726834 0.31203957907738 0.95745196474512 14.007 > 5 24 N 0.79441192726834 0.81203957907738 0.95745196474512 14.007 > 5 25 N 0.20558807273166 0.31203957907738 0.29254803525488 14.007 > 9 26 N 0.20558807273166 0.81203957907738 0.29254803525488 14.007 > 9 27 N 0.20558807273166 0.31203957907738 0.79254803525488 14.007 > 9 28 N 0.20558807273166 0.81203957907738 0.79254803525488 14.007 > 9 29 N 0.20558807273166 0.18796042092262 0.04254803525488 14.007 > 13 30 N 0.20558807273166 0.68796042092262 0.04254803525488 14.007 > 13 31 N 0.20558807273166 0.18796042092262 0.54254803525488 14.007 > 13 32 N 0.20558807273166 0.68796042092262 0.54254803525488 14.007 > 13 33 Se 0.38545738773104 0.31513306616042 0.01670475613794 78.960 > 33 34 Se 0.38545738773104 0.81513306616042 0.01670475613794 78.960 > 33 35 Se 0.38545738773104 0.31513306616042 0.51670475613794 78.960 > 33 36 Se 0.38545738773104 0.81513306616042 0.51670475613794 78.960 > 33 37 Se 0.50000000000000 0.04833067143169 0.12500000000000 78.960 > 37 38 Se 0.50000000000000 0.54833067143169 0.12500000000000 78.960 > 37 39 Se 0.50000000000000 0.04833067143169 0.62500000000000 78.960 > 37 40 Se 0.50000000000000 0.54833067143169 0.62500000000000 78.960 > 37 41 Se 0.61454261226896 0.31513306616042 0.23329524386206 78.960 > 41 42 Se 0.61454261226896 0.81513306616042 0.23329524386206 78.960 > 41 43 Se 0.61454261226896 0.31513306616042 0.73329524386206 78.960 > 41 44 Se 0.61454261226896 0.81513306616042 0.73329524386206 78.960 > 41 45 Se 0.61454261226896 0.18486693383958 0.48329524386206 78.960 > 45 46 Se 0.61454261226896 0.68486693383958 0.48329524386206 78.960 > 45 47 Se 0.61454261226896 0.18486693383958 0.98329524386206 78.960 > 45 48 Se 0.61454261226896 0.68486693383958 0.98329524386206 78.960 > 45 49 Se 0.50000000000000 0.45166932856831 0.37500000000000 78.960 > 49 50 Se 0.50000000000000 0.95166932856831 0.37500000000000 78.960 > 49 51 Se 0.50000000000000 0.45166932856831 0.87500000000000 78.960 > 49 52 Se 0.50000000000000 0.95166932856831 0.87500000000000 78.960 > 49 53 Se 0.38545738773104 0.18486693383958 0.26670475613794 78.960 > 53 54 Se 0.38545738773104 0.68486693383958 0.26670475613794 78.960 > 53 55 Se 0.38545738773104 0.18486693383958 0.76670475613794 78.960 > 53 56 Se 0.38545738773104 0.68486693383958 0.76670475613794 78.960 > 53 57 Se 0.88545738773104 0.06513306616042 0.01670475613794 78.960 > 33 58 Se 0.88545738773104 0.56513306616042 0.01670475613794 78.960 > 33 59 Se 0.88545738773104 0.06513306616042 0.51670475613794 78.960 > 33 60 Se 0.88545738773104 0.56513306616042 0.51670475613794 78.960 > 33 61 Se 0.00000000000000 0.29833067143169 0.12500000000000 78.960 > 37 62 Se 0.00000000000000 0.79833067143169 0.12500000000000 78.960 > 37 63 Se 0.00000000000000 0.29833067143169 0.62500000000000 78.960 > 37 64 Se 0.00000000000000 0.79833067143169 0.62500000000000 78.960 > 37 65 Se 0.11454261226896 0.06513306616042 0.23329524386206 78.960 > 41 66 Se 0.11454261226896 0.56513306616042 0.23329524386206 78.960 > 41 67 Se 0.11454261226896 0.06513306616042 0.73329524386206 78.960 > 41 68 Se 0.11454261226896 0.56513306616042 0.73329524386206 78.960 > 41 69 Se 0.11454261226896 0.43486693383958 0.48329524386206 78.960 > 45 70 Se 0.11454261226896 0.93486693383958 0.48329524386206 78.960 > 45 71 Se 0.11454261226896 0.43486693383958 0.98329524386206 78.960 > 45 72 Se 0.11454261226896 0.93486693383958 0.98329524386206 78.960 > 45 73 Se 0.00000000000000 0.20166932856831 0.37500000000000 78.960 > 49 74 Se 0.00000000000000 0.70166932856831 0.37500000000000 78.960 > 49 75 Se 0.00000000000000 0.20166932856831 0.87500000000000 78.960 > 49 76 Se 0.00000000000000 0.70166932856831 0.87500000000000 78.960 > 49 77 Se 0.88545738773104 0.43486693383958 0.26670475613794 78.960 > 53 78 Se 0.88545738773104 0.93486693383958 0.26670475613794 78.960 > 53 79 Se 0.88545738773104 0.43486693383958 0.76670475613794 78.960 > 53 80 Se 0.88545738773104 0.93486693383958 0.76670475613794 78.960 > 53 81 Pr 0.33524417970412 0.04029277963220 0.28459776472374 140.908 > 81 82 Pr 0.33524417970412 0.54029277963220 0.28459776472374 140.908 > 81 83 Pr 0.33524417970412 0.04029277963220 0.78459776472374 140.908 > 81 84 Pr 0.33524417970412 0.54029277963220 0.78459776472374 140.908 > 81 85 Pr 0.66475582029588 0.04029277963220 0.46540223527626 140.908 > 85 86 Pr 0.66475582029588 0.54029277963220 0.46540223527626 140.908 > 85 87 Pr 0.66475582029588 0.04029277963220 0.96540223527626 140.908 > 85 88 Pr 0.66475582029588 0.54029277963220 0.96540223527626 140.908 > 85 89 Pr 0.66475582029588 0.45970722036780 0.21540223527626 140.908 > 89 90 Pr 0.66475582029588 0.95970722036780 0.21540223527626 140.908 > 89 91 Pr 0.66475582029588 0.45970722036780 0.71540223527626 140.908 > 89 92 Pr 0.66475582029588 0.95970722036780 0.71540223527626 140.908 > 89 93 Pr 0.33524417970412 0.45970722036780 0.03459776472374 140.908 > 93 94 Pr 0.33524417970412 0.95970722036780 0.03459776472374 140.908 > 93 95 Pr 0.33524417970412 0.45970722036780 0.53459776472374 140.908 > 93 96 Pr 0.33524417970412 0.95970722036780 0.53459776472374 140.908 > 93 97 Pr 0.37463683959101 0.34137090331723 0.26543470873993 140.908 > 97 98 Pr 0.37463683959101 0.84137090331723 0.26543470873993 140.908 > 97 99 Pr 0.37463683959101 0.34137090331723 0.76543470873993 140.908 > 97 100 Pr 0.37463683959101 0.84137090331723 0.76543470873993 140.908 > 97 101 Pr 0.62536316040899 0.34137090331723 0.48456529126007 140.908 > 101 102 Pr 0.62536316040899 0.84137090331723 0.48456529126007 140.908 > 101 103 Pr 0.62536316040899 0.34137090331723 0.98456529126007 140.908 > 101 104 Pr 0.62536316040899 0.84137090331723 0.98456529126007 140.908 > 101 105 Pr 0.62536316040899 0.15862909668277 0.23456529126007 140.908 > 105 106 Pr 0.62536316040899 0.65862909668277 0.23456529126007 140.908 > 105 107 Pr 0.62536316040899 0.15862909668277 0.73456529126007 140.908 > 105 108 Pr 0.62536316040899 0.65862909668277 0.73456529126007 140.908 > 105 109 Pr 0.37463683959101 0.15862909668277 0.01543470873993 140.908 > 109 110 Pr 0.37463683959101 0.65862909668277 0.01543470873993 140.908 > 109 111 Pr 0.37463683959101 0.15862909668277 0.51543470873993 140.908 > 109 112 Pr 0.37463683959101 0.65862909668277 0.51543470873993 140.908 > 109 113 Pr 0.83524417970412 0.29029277963220 0.28459776472374 140.908 > 81 114 Pr 0.83524417970412 0.79029277963220 0.28459776472374 140.908 > 81 115 Pr 0.83524417970412 0.29029277963220 0.78459776472374 140.908 > 81 116 Pr 0.83524417970412 0.79029277963220 0.78459776472374 140.908 > 81 117 Pr 0.16475582029588 0.29029277963220 0.46540223527626 140.908 > 85 118 Pr 0.16475582029588 0.79029277963220 0.46540223527626 140.908 > 85 119 Pr 0.16475582029588 0.29029277963220 0.96540223527626 140.908 > 85 120 Pr 0.16475582029588 0.79029277963220 0.96540223527626 140.908 > 85 121 Pr 0.16475582029588 0.20970722036780 0.21540223527626 140.908 > 89 122 Pr 0.16475582029588 0.70970722036780 0.21540223527626 140.908 > 89 123 Pr 0.16475582029588 0.20970722036780 0.71540223527626 140.908 > 89 124 Pr 0.16475582029588 0.70970722036780 0.71540223527626 140.908 > 89 125 Pr 0.83524417970412 0.20970722036780 0.03459776472374 140.908 > 93 126 Pr 0.83524417970412 0.70970722036780 0.03459776472374 140.908 > 93 127 Pr 0.83524417970412 0.20970722036780 0.53459776472374 140.908 > 93 128 Pr 0.83524417970412 0.70970722036780 0.53459776472374 140.908 > 93 129 Pr 0.87463683959101 0.09137090331723 0.26543470873993 140.908 > 97 130 Pr 0.87463683959101 0.59137090331723 0.26543470873993 140.908 > 97 131 Pr 0.87463683959101 0.09137090331723 0.76543470873993 140.908 > 97 132 Pr 0.87463683959101 0.59137090331723 0.76543470873993 140.908 > 97 133 Pr 0.12536316040899 0.09137090331723 0.48456529126007 140.908 > 101 134 Pr 0.12536316040899 0.59137090331723 0.48456529126007 140.908 > 101 135 Pr 0.12536316040899 0.09137090331723 0.98456529126007 140.908 > 101 136 Pr 0.12536316040899 0.59137090331723 0.98456529126007 140.908 > 101 137 Pr 0.12536316040899 0.40862909668277 0.23456529126007 140.908 > 105 138 Pr 0.12536316040899 0.90862909668277 0.23456529126007 140.908 > 105 139 Pr 0.12536316040899 0.40862909668277 0.73456529126007 140.908 > 105 140 Pr 0.12536316040899 0.90862909668277 0.73456529126007 140.908 > 105 141 Pr 0.87463683959101 0.40862909668277 0.01543470873993 140.908 > 109 142 Pr 0.87463683959101 0.90862909668277 0.01543470873993 140.908 > 109 143 Pr 0.87463683959101 0.40862909668277 0.51543470873993 140.908 > 109 144 Pr 0.87463683959101 0.90862909668277 0.51543470873993 140.908 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2224993 0.0000000 -0.2579140 0.0000000 8.4948824 0.0000000 -0.2579120 0.0000000 8.4506136 -------------------------- Born effective charges -------------------------- 1 N -3.7032111 -0.1564121 0.2729434 -0.4014815 -4.3645718 0.4592493 0.0746773 -0.0069132 -3.8370629 2 N -3.7032111 0.1564121 0.2729434 0.4014815 -4.3645718 -0.4592493 0.0746773 0.0069132 -3.8370629 3 N -3.7032111 -0.1564121 0.2729434 -0.4014815 -4.3645718 0.4592493 0.0746773 -0.0069132 -3.8370629 4 N -3.7032111 0.1564121 0.2729434 0.4014815 -4.3645718 -0.4592493 0.0746773 0.0069132 -3.8370629 5 Se -2.5286727 -0.1978928 -0.0309121 -0.2382759 -2.5657199 -0.0388039 -0.0625210 -0.0419421 -2.6571231 6 Se -3.1468069 0.0000000 0.0356703 0.0000000 -2.3655570 0.0000000 0.4171310 0.0000000 -2.0606222 7 Se -2.5286727 0.1978928 -0.0309121 0.2382759 -2.5657199 0.0388039 -0.0625210 0.0419421 -2.6571231 8 Se -2.5286727 -0.1978928 -0.0309121 -0.2382759 -2.5657199 -0.0388039 -0.0625210 -0.0419421 -2.6571231 9 Se -3.1468069 0.0000000 0.0356703 0.0000000 -2.3655570 0.0000000 0.4171310 0.0000000 -2.0606222 10 Se -2.5286727 0.1978928 -0.0309121 0.2382759 -2.5657199 0.0388039 -0.0625210 0.0419421 -2.6571231 11 Pr 3.6514418 -0.5613739 -0.4102813 -0.7584455 4.0937464 0.6229400 -0.4132494 0.7053227 4.0795835 12 Pr 3.6514418 0.5613739 -0.4102813 0.7584455 4.0937464 -0.6229400 -0.4132494 -0.7053227 4.0795835 13 Pr 3.6514418 -0.5613739 -0.4102813 -0.7584455 4.0937464 0.6229400 -0.4132494 0.7053227 4.0795835 14 Pr 3.6514418 0.5613739 -0.4102813 0.7584455 4.0937464 -0.6229400 -0.4132494 -0.7053227 4.0795835 15 Pr 4.1538455 0.1272067 0.1504148 0.2178898 4.0193238 -0.4871611 0.1925276 -0.4058025 3.4449137 16 Pr 4.1538455 -0.1272067 0.1504148 -0.2178898 4.0193238 0.4871611 0.1925276 0.4058025 3.4449137 17 Pr 4.1538455 0.1272067 0.1504148 0.2178898 4.0193238 -0.4871611 0.1925276 -0.4058025 3.4449137 18 Pr 4.1538455 -0.1272067 0.1504148 -0.2178898 4.0193238 0.4871611 0.1925276 0.4058025 3.4449137 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:06:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:06:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.557704815016398 -5.092328364999999 0.000000000000000 b 6.557704815016398 5.092328364999999 0.000000000000000 c -0.065813215466777 0.000000000000000 6.423763352837923 Atomic positions (fractional): 1 N 0.41849108542311 0.17033276911358 0.41490392949024 14.007 2 N 0.17033276911358 0.41849108542311 0.91490392949024 14.007 3 N 0.58150891457689 0.82966723088642 0.58509607050976 14.007 4 N 0.82966723088642 0.58150891457689 0.08509607050976 14.007 5 Se 0.75519125541019 0.01572352005189 0.03340951227587 78.960 6 Se 0.40333865713662 0.59666134286338 0.25000000000000 78.960 7 Se 0.98427647994811 0.24480874458981 0.46659048772413 78.960 8 Se 0.24480874458981 0.98427647994811 0.96659048772413 78.960 9 Se 0.59666134286338 0.40333865713662 0.75000000000000 78.960 10 Se 0.01572352005189 0.75519125541019 0.53340951227587 78.960 11 Pr 0.25465862043971 0.41582973896852 0.56919552944747 140.908 12 Pr 0.58417026103148 0.74534137956029 0.93080447055253 140.908 13 Pr 0.74534137956029 0.58417026103148 0.43080447055253 140.908 14 Pr 0.41582973896852 0.25465862043971 0.06919552944747 140.908 15 Pr 0.69189503295656 0.05737864622547 0.53086941747985 140.908 16 Pr 0.94262135377453 0.30810496704344 0.96913058252015 140.908 17 Pr 0.30810496704344 0.94262135377453 0.46913058252015 140.908 18 Pr 0.05737864622547 0.69189503295656 0.03086941747985 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.115409630032795 0.000000000000000 0.000000000000000 b 0.000000000000000 20.369313459999997 0.000000000000000 c -0.131626430933554 0.000000000000000 12.847526705675847 Atomic positions (fractional): 1 N 0.29441192726834 0.43796042092262 0.20745196474512 14.007 > 1 2 N 0.29441192726834 0.93796042092262 0.20745196474512 14.007 > 1 3 N 0.29441192726834 0.43796042092262 0.70745196474512 14.007 > 1 4 N 0.29441192726834 0.93796042092262 0.70745196474512 14.007 > 1 5 N 0.29441192726834 0.06203957907738 0.45745196474512 14.007 > 5 6 N 0.29441192726834 0.56203957907738 0.45745196474512 14.007 > 5 7 N 0.29441192726834 0.06203957907738 0.95745196474512 14.007 > 5 8 N 0.29441192726834 0.56203957907738 0.95745196474512 14.007 > 5 9 N 0.70558807273166 0.06203957907738 0.29254803525488 14.007 > 9 10 N 0.70558807273166 0.56203957907738 0.29254803525488 14.007 > 9 11 N 0.70558807273166 0.06203957907738 0.79254803525488 14.007 > 9 12 N 0.70558807273166 0.56203957907738 0.79254803525488 14.007 > 9 13 N 0.70558807273166 0.43796042092262 0.04254803525488 14.007 > 13 14 N 0.70558807273166 0.93796042092262 0.04254803525488 14.007 > 13 15 N 0.70558807273166 0.43796042092262 0.54254803525488 14.007 > 13 16 N 0.70558807273166 0.93796042092262 0.54254803525488 14.007 > 13 17 N 0.79441192726834 0.18796042092262 0.20745196474512 14.007 > 1 18 N 0.79441192726834 0.68796042092262 0.20745196474512 14.007 > 1 19 N 0.79441192726834 0.18796042092262 0.70745196474512 14.007 > 1 20 N 0.79441192726834 0.68796042092262 0.70745196474512 14.007 > 1 21 N 0.79441192726834 0.31203957907738 0.45745196474512 14.007 > 5 22 N 0.79441192726834 0.81203957907738 0.45745196474512 14.007 > 5 23 N 0.79441192726834 0.31203957907738 0.95745196474512 14.007 > 5 24 N 0.79441192726834 0.81203957907738 0.95745196474512 14.007 > 5 25 N 0.20558807273166 0.31203957907738 0.29254803525488 14.007 > 9 26 N 0.20558807273166 0.81203957907738 0.29254803525488 14.007 > 9 27 N 0.20558807273166 0.31203957907738 0.79254803525488 14.007 > 9 28 N 0.20558807273166 0.81203957907738 0.79254803525488 14.007 > 9 29 N 0.20558807273166 0.18796042092262 0.04254803525488 14.007 > 13 30 N 0.20558807273166 0.68796042092262 0.04254803525488 14.007 > 13 31 N 0.20558807273166 0.18796042092262 0.54254803525488 14.007 > 13 32 N 0.20558807273166 0.68796042092262 0.54254803525488 14.007 > 13 33 Se 0.38545738773104 0.31513306616042 0.01670475613794 78.960 > 33 34 Se 0.38545738773104 0.81513306616042 0.01670475613794 78.960 > 33 35 Se 0.38545738773104 0.31513306616042 0.51670475613794 78.960 > 33 36 Se 0.38545738773104 0.81513306616042 0.51670475613794 78.960 > 33 37 Se 0.50000000000000 0.04833067143169 0.12500000000000 78.960 > 37 38 Se 0.50000000000000 0.54833067143169 0.12500000000000 78.960 > 37 39 Se 0.50000000000000 0.04833067143169 0.62500000000000 78.960 > 37 40 Se 0.50000000000000 0.54833067143169 0.62500000000000 78.960 > 37 41 Se 0.61454261226896 0.31513306616042 0.23329524386206 78.960 > 41 42 Se 0.61454261226896 0.81513306616042 0.23329524386206 78.960 > 41 43 Se 0.61454261226896 0.31513306616042 0.73329524386206 78.960 > 41 44 Se 0.61454261226896 0.81513306616042 0.73329524386206 78.960 > 41 45 Se 0.61454261226896 0.18486693383958 0.48329524386206 78.960 > 45 46 Se 0.61454261226896 0.68486693383958 0.48329524386206 78.960 > 45 47 Se 0.61454261226896 0.18486693383958 0.98329524386206 78.960 > 45 48 Se 0.61454261226896 0.68486693383958 0.98329524386206 78.960 > 45 49 Se 0.50000000000000 0.45166932856831 0.37500000000000 78.960 > 49 50 Se 0.50000000000000 0.95166932856831 0.37500000000000 78.960 > 49 51 Se 0.50000000000000 0.45166932856831 0.87500000000000 78.960 > 49 52 Se 0.50000000000000 0.95166932856831 0.87500000000000 78.960 > 49 53 Se 0.38545738773104 0.18486693383958 0.26670475613794 78.960 > 53 54 Se 0.38545738773104 0.68486693383958 0.26670475613794 78.960 > 53 55 Se 0.38545738773104 0.18486693383958 0.76670475613794 78.960 > 53 56 Se 0.38545738773104 0.68486693383958 0.76670475613794 78.960 > 53 57 Se 0.88545738773104 0.06513306616042 0.01670475613794 78.960 > 33 58 Se 0.88545738773104 0.56513306616042 0.01670475613794 78.960 > 33 59 Se 0.88545738773104 0.06513306616042 0.51670475613794 78.960 > 33 60 Se 0.88545738773104 0.56513306616042 0.51670475613794 78.960 > 33 61 Se 0.00000000000000 0.29833067143169 0.12500000000000 78.960 > 37 62 Se 0.00000000000000 0.79833067143169 0.12500000000000 78.960 > 37 63 Se 0.00000000000000 0.29833067143169 0.62500000000000 78.960 > 37 64 Se 0.00000000000000 0.79833067143169 0.62500000000000 78.960 > 37 65 Se 0.11454261226896 0.06513306616042 0.23329524386206 78.960 > 41 66 Se 0.11454261226896 0.56513306616042 0.23329524386206 78.960 > 41 67 Se 0.11454261226896 0.06513306616042 0.73329524386206 78.960 > 41 68 Se 0.11454261226896 0.56513306616042 0.73329524386206 78.960 > 41 69 Se 0.11454261226896 0.43486693383958 0.48329524386206 78.960 > 45 70 Se 0.11454261226896 0.93486693383958 0.48329524386206 78.960 > 45 71 Se 0.11454261226896 0.43486693383958 0.98329524386206 78.960 > 45 72 Se 0.11454261226896 0.93486693383958 0.98329524386206 78.960 > 45 73 Se 0.00000000000000 0.20166932856831 0.37500000000000 78.960 > 49 74 Se 0.00000000000000 0.70166932856831 0.37500000000000 78.960 > 49 75 Se 0.00000000000000 0.20166932856831 0.87500000000000 78.960 > 49 76 Se 0.00000000000000 0.70166932856831 0.87500000000000 78.960 > 49 77 Se 0.88545738773104 0.43486693383958 0.26670475613794 78.960 > 53 78 Se 0.88545738773104 0.93486693383958 0.26670475613794 78.960 > 53 79 Se 0.88545738773104 0.43486693383958 0.76670475613794 78.960 > 53 80 Se 0.88545738773104 0.93486693383958 0.76670475613794 78.960 > 53 81 Pr 0.33524417970412 0.04029277963220 0.28459776472374 140.908 > 81 82 Pr 0.33524417970412 0.54029277963220 0.28459776472374 140.908 > 81 83 Pr 0.33524417970412 0.04029277963220 0.78459776472374 140.908 > 81 84 Pr 0.33524417970412 0.54029277963220 0.78459776472374 140.908 > 81 85 Pr 0.66475582029588 0.04029277963220 0.46540223527626 140.908 > 85 86 Pr 0.66475582029588 0.54029277963220 0.46540223527626 140.908 > 85 87 Pr 0.66475582029588 0.04029277963220 0.96540223527626 140.908 > 85 88 Pr 0.66475582029588 0.54029277963220 0.96540223527626 140.908 > 85 89 Pr 0.66475582029588 0.45970722036780 0.21540223527626 140.908 > 89 90 Pr 0.66475582029588 0.95970722036780 0.21540223527626 140.908 > 89 91 Pr 0.66475582029588 0.45970722036780 0.71540223527626 140.908 > 89 92 Pr 0.66475582029588 0.95970722036780 0.71540223527626 140.908 > 89 93 Pr 0.33524417970412 0.45970722036780 0.03459776472374 140.908 > 93 94 Pr 0.33524417970412 0.95970722036780 0.03459776472374 140.908 > 93 95 Pr 0.33524417970412 0.45970722036780 0.53459776472374 140.908 > 93 96 Pr 0.33524417970412 0.95970722036780 0.53459776472374 140.908 > 93 97 Pr 0.37463683959101 0.34137090331723 0.26543470873993 140.908 > 97 98 Pr 0.37463683959101 0.84137090331723 0.26543470873993 140.908 > 97 99 Pr 0.37463683959101 0.34137090331723 0.76543470873993 140.908 > 97 100 Pr 0.37463683959101 0.84137090331723 0.76543470873993 140.908 > 97 101 Pr 0.62536316040899 0.34137090331723 0.48456529126007 140.908 > 101 102 Pr 0.62536316040899 0.84137090331723 0.48456529126007 140.908 > 101 103 Pr 0.62536316040899 0.34137090331723 0.98456529126007 140.908 > 101 104 Pr 0.62536316040899 0.84137090331723 0.98456529126007 140.908 > 101 105 Pr 0.62536316040899 0.15862909668277 0.23456529126007 140.908 > 105 106 Pr 0.62536316040899 0.65862909668277 0.23456529126007 140.908 > 105 107 Pr 0.62536316040899 0.15862909668277 0.73456529126007 140.908 > 105 108 Pr 0.62536316040899 0.65862909668277 0.73456529126007 140.908 > 105 109 Pr 0.37463683959101 0.15862909668277 0.01543470873993 140.908 > 109 110 Pr 0.37463683959101 0.65862909668277 0.01543470873993 140.908 > 109 111 Pr 0.37463683959101 0.15862909668277 0.51543470873993 140.908 > 109 112 Pr 0.37463683959101 0.65862909668277 0.51543470873993 140.908 > 109 113 Pr 0.83524417970412 0.29029277963220 0.28459776472374 140.908 > 81 114 Pr 0.83524417970412 0.79029277963220 0.28459776472374 140.908 > 81 115 Pr 0.83524417970412 0.29029277963220 0.78459776472374 140.908 > 81 116 Pr 0.83524417970412 0.79029277963220 0.78459776472374 140.908 > 81 117 Pr 0.16475582029588 0.29029277963220 0.46540223527626 140.908 > 85 118 Pr 0.16475582029588 0.79029277963220 0.46540223527626 140.908 > 85 119 Pr 0.16475582029588 0.29029277963220 0.96540223527626 140.908 > 85 120 Pr 0.16475582029588 0.79029277963220 0.96540223527626 140.908 > 85 121 Pr 0.16475582029588 0.20970722036780 0.21540223527626 140.908 > 89 122 Pr 0.16475582029588 0.70970722036780 0.21540223527626 140.908 > 89 123 Pr 0.16475582029588 0.20970722036780 0.71540223527626 140.908 > 89 124 Pr 0.16475582029588 0.70970722036780 0.71540223527626 140.908 > 89 125 Pr 0.83524417970412 0.20970722036780 0.03459776472374 140.908 > 93 126 Pr 0.83524417970412 0.70970722036780 0.03459776472374 140.908 > 93 127 Pr 0.83524417970412 0.20970722036780 0.53459776472374 140.908 > 93 128 Pr 0.83524417970412 0.70970722036780 0.53459776472374 140.908 > 93 129 Pr 0.87463683959101 0.09137090331723 0.26543470873993 140.908 > 97 130 Pr 0.87463683959101 0.59137090331723 0.26543470873993 140.908 > 97 131 Pr 0.87463683959101 0.09137090331723 0.76543470873993 140.908 > 97 132 Pr 0.87463683959101 0.59137090331723 0.76543470873993 140.908 > 97 133 Pr 0.12536316040899 0.09137090331723 0.48456529126007 140.908 > 101 134 Pr 0.12536316040899 0.59137090331723 0.48456529126007 140.908 > 101 135 Pr 0.12536316040899 0.09137090331723 0.98456529126007 140.908 > 101 136 Pr 0.12536316040899 0.59137090331723 0.98456529126007 140.908 > 101 137 Pr 0.12536316040899 0.40862909668277 0.23456529126007 140.908 > 105 138 Pr 0.12536316040899 0.90862909668277 0.23456529126007 140.908 > 105 139 Pr 0.12536316040899 0.40862909668277 0.73456529126007 140.908 > 105 140 Pr 0.12536316040899 0.90862909668277 0.73456529126007 140.908 > 105 141 Pr 0.87463683959101 0.40862909668277 0.01543470873993 140.908 > 109 142 Pr 0.87463683959101 0.90862909668277 0.01543470873993 140.908 > 109 143 Pr 0.87463683959101 0.40862909668277 0.51543470873993 140.908 > 109 144 Pr 0.87463683959101 0.90862909668277 0.51543470873993 140.908 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2224993 0.0000000 -0.2579140 0.0000000 8.4948824 0.0000000 -0.2579120 0.0000000 8.4506136 -------------------------- Born effective charges -------------------------- 1 N -3.7032111 -0.1564121 0.2729434 -0.4014815 -4.3645718 0.4592493 0.0746773 -0.0069132 -3.8370629 2 N -3.7032111 0.1564121 0.2729434 0.4014815 -4.3645718 -0.4592493 0.0746773 0.0069132 -3.8370629 3 N -3.7032111 -0.1564121 0.2729434 -0.4014815 -4.3645718 0.4592493 0.0746773 -0.0069132 -3.8370629 4 N -3.7032111 0.1564121 0.2729434 0.4014815 -4.3645718 -0.4592493 0.0746773 0.0069132 -3.8370629 5 Se -2.5286727 -0.1978928 -0.0309121 -0.2382759 -2.5657199 -0.0388039 -0.0625210 -0.0419421 -2.6571231 6 Se -3.1468069 0.0000000 0.0356703 0.0000000 -2.3655570 0.0000000 0.4171310 0.0000000 -2.0606222 7 Se -2.5286727 0.1978928 -0.0309121 0.2382759 -2.5657199 0.0388039 -0.0625210 0.0419421 -2.6571231 8 Se -2.5286727 -0.1978928 -0.0309121 -0.2382759 -2.5657199 -0.0388039 -0.0625210 -0.0419421 -2.6571231 9 Se -3.1468069 0.0000000 0.0356703 0.0000000 -2.3655570 0.0000000 0.4171310 0.0000000 -2.0606222 10 Se -2.5286727 0.1978928 -0.0309121 0.2382759 -2.5657199 0.0388039 -0.0625210 0.0419421 -2.6571231 11 Pr 3.6514418 -0.5613739 -0.4102813 -0.7584455 4.0937464 0.6229400 -0.4132494 0.7053227 4.0795835 12 Pr 3.6514418 0.5613739 -0.4102813 0.7584455 4.0937464 -0.6229400 -0.4132494 -0.7053227 4.0795835 13 Pr 3.6514418 -0.5613739 -0.4102813 -0.7584455 4.0937464 0.6229400 -0.4132494 0.7053227 4.0795835 14 Pr 3.6514418 0.5613739 -0.4102813 0.7584455 4.0937464 -0.6229400 -0.4132494 -0.7053227 4.0795835 15 Pr 4.1538455 0.1272067 0.1504148 0.2178898 4.0193238 -0.4871611 0.1925276 -0.4058025 3.4449137 16 Pr 4.1538455 -0.1272067 0.1504148 -0.2178898 4.0193238 0.4871611 0.1925276 0.4058025 3.4449137 17 Pr 4.1538455 0.1272067 0.1504148 0.2178898 4.0193238 -0.4871611 0.1925276 -0.4058025 3.4449137 18 Pr 4.1538455 -0.1272067 0.1504148 -0.2178898 4.0193238 0.4871611 0.1925276 0.4058025 3.4449137 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 8 ] 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: 0.55, Number of G-points: 301, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/89) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 11.919 ( 0.000 0.000 0.000) 0.000 11.969 ( 0.000 0.000 0.000) 0.000 13.977 ( 0.000 0.000 0.000) 0.000 13.987 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.608 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/89) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 15.668 -15.824 4.518) 22.723 0.539 ( 19.115 -17.327 5.229) 26.324 0.926 ( 23.534 -36.407 -5.471) 43.695 1.997 ( -6.629 1.922 -0.886) 6.959 2.127 ( -5.067 7.331 0.368) 8.919 2.179 ( -3.438 1.991 2.536) 4.714 2.232 ( 0.321 3.073 -2.335) 3.873 2.303 ( 0.578 1.904 -1.709) 2.623 2.377 ( -4.689 -0.978 -0.282) 4.798 2.519 ( -3.407 2.862 -1.530) 4.705 2.573 ( 0.052 -3.260 -2.924) 4.379 2.598 ( 1.347 -1.489 0.551) 2.082 2.702 ( -0.272 -3.315 1.969) 3.865 2.833 ( 1.763 -1.051 -1.339) 2.451 2.851 ( -1.454 -1.588 1.208) 2.469 2.917 ( 4.814 -5.817 -0.055) 7.551 2.970 ( 0.186 -5.560 -2.331) 6.032 3.004 ( -0.657 -8.272 2.848) 8.773 3.331 ( 4.853 10.134 0.308) 11.240 3.583 ( 1.789 3.183 3.605) 5.131 3.706 ( -0.855 7.068 -0.510) 7.138 3.836 ( -1.391 -0.842 -0.012) 1.626 3.901 ( -2.214 4.127 -0.676) 4.732 3.970 ( -4.380 -3.363 3.502) 6.539 4.040 ( -0.969 1.131 -1.326) 1.994 4.084 ( 1.667 -1.363 0.050) 2.153 4.154 ( 0.476 -0.873 -1.278) 1.619 4.227 ( -4.101 -6.956 -2.054) 8.332 4.270 ( -0.096 -3.285 2.154) 3.929 4.406 ( 1.992 3.725 0.916) 4.322 4.460 ( 2.036 0.867 0.127) 2.216 4.492 ( -3.418 1.392 5.183) 6.362 4.566 ( -1.307 -0.945 1.839) 2.446 4.648 ( 0.267 2.825 -0.323) 2.856 4.720 ( 1.055 1.568 -8.127) 8.344 4.919 ( 2.238 -2.812 -2.345) 4.291 5.112 ( -0.454 7.411 5.781) 9.410 5.393 ( -1.178 0.989 3.970) 4.258 5.566 ( -0.769 1.940 1.651) 2.661 5.794 ( 3.366 4.451 -3.020) 6.345 5.834 ( 12.334 3.363 -7.709) 14.928 6.079 ( -1.168 0.374 1.172) 1.696 11.552 ( -1.260 -2.228 -2.976) 3.925 11.576 ( 1.058 0.484 0.607) 1.312 11.824 ( -3.250 2.413 -3.754) 5.521 11.901 ( -0.169 1.851 5.126) 5.452 12.879 ( -43.318 -42.738 0.383) 60.853 13.749 ( 1.540 17.298 11.705) 20.943 14.040 ( -3.445 -4.355 -1.825) 5.846 14.294 ( 1.884 -13.361 -1.024) 13.532 14.491 ( 3.000 -1.605 7.915) 8.615 15.631 ( -3.554 19.556 -4.142) 20.303 16.324 ( 16.470 -4.323 -15.226) 22.842 16.843 ( -0.482 -1.564 -0.448) 1.697 ======================= Grid point 2 (3/89) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 14.520 -14.130 3.774) 20.609 1.042 ( 17.374 -15.176 4.001) 23.413 1.740 ( 16.640 -28.146 -7.027) 33.444 1.782 ( -11.074 8.600 -1.024) 14.059 1.891 ( -11.068 8.120 0.513) 13.737 2.122 ( -2.147 -0.031 -1.701) 2.739 2.196 ( 0.839 2.033 2.268) 3.159 2.292 ( 1.451 1.562 -2.150) 3.028 2.331 ( -0.266 0.995 1.281) 1.644 2.439 ( -2.861 1.752 0.277) 3.366 2.630 ( 1.350 -0.963 -0.196) 1.670 2.646 ( 1.305 -2.955 -3.221) 4.562 2.774 ( 0.825 -4.194 5.098) 6.653 2.831 ( 0.181 1.566 -0.794) 1.765 2.889 ( -2.773 -4.739 -1.716) 5.753 3.045 ( -2.040 -1.970 -2.249) 3.619 3.071 ( -1.420 -7.432 -2.315) 7.913 3.148 ( 3.824 -6.338 3.690) 8.271 3.215 ( 2.819 7.478 0.694) 8.022 3.485 ( -3.045 9.373 4.835) 10.978 3.592 ( 0.537 4.278 -1.168) 4.467 3.765 ( 0.477 3.425 -1.164) 3.649 3.863 ( -1.588 -0.402 -0.306) 1.667 3.938 ( -0.873 2.411 0.871) 2.708 4.054 ( -1.524 -3.133 0.376) 3.505 4.114 ( 1.318 2.346 -1.790) 3.232 4.168 ( 0.123 -0.767 4.621) 4.686 4.261 ( -3.972 -2.167 -1.021) 4.638 4.309 ( -2.841 0.952 -0.029) 2.996 4.332 ( 0.888 -0.738 0.739) 1.371 4.450 ( 2.580 1.428 2.011) 3.570 4.501 ( 4.702 0.136 -1.591) 4.965 4.549 ( -3.562 0.629 1.115) 3.785 4.612 ( 1.039 1.778 1.129) 2.348 4.754 ( -0.065 -3.163 -6.442) 7.177 4.956 ( -2.097 2.572 -0.245) 3.327 5.012 ( 2.082 0.012 -1.195) 2.401 5.328 ( -2.865 3.544 6.213) 7.705 5.548 ( 0.009 0.051 0.342) 0.346 5.758 ( 1.230 2.960 -1.850) 3.701 5.930 ( 6.810 0.215 -5.186) 8.562 6.053 ( -2.418 0.028 2.355) 3.375 11.564 ( 0.153 -0.310 -0.008) 0.346 11.609 ( -0.388 -3.563 -3.111) 4.746 11.736 ( -2.880 2.721 -1.537) 4.250 11.858 ( 0.222 3.117 3.536) 4.719 13.060 ( -17.232 -25.578 -5.260) 31.287 13.496 ( 2.265 16.547 10.178) 19.558 14.064 ( -4.158 -4.266 -1.474) 6.137 14.486 ( 0.334 -7.630 0.230) 7.640 14.607 ( 14.490 1.563 4.081) 15.134 15.292 ( -10.247 10.273 -1.842) 14.626 16.538 ( 7.125 -3.367 -5.645) 9.694 16.867 ( -0.460 -1.859 -0.598) 2.007 ======================= Grid point 3 (4/89) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.000 0.000 -0.000) 0.000 1.387 ( -0.000 0.000 -0.000) 0.000 1.544 ( 0.000 -0.000 0.000) 0.000 1.644 ( 0.000 -0.000 0.000) 0.000 2.041 ( 0.000 -0.000 0.000) 0.000 2.144 ( 0.000 -0.000 -0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.322 ( -0.000 -0.000 -0.000) 0.000 2.347 ( -0.000 0.000 -0.000) 0.000 2.352 ( 0.000 -0.000 0.000) 0.000 2.667 ( 0.000 -0.000 0.000) 0.000 2.675 ( -0.000 0.000 -0.000) 0.000 2.806 ( 0.000 -0.000 0.000) 0.000 2.834 ( 0.000 -0.000 -0.000) 0.000 2.892 ( 0.000 -0.000 0.000) 0.000 2.959 ( 0.000 -0.000 0.000) 0.000 3.127 ( 0.000 -0.000 0.000) 0.000 3.203 ( 0.000 -0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 -0.000 -0.000) 0.000 3.600 ( 0.000 -0.000 0.000) 0.000 3.744 ( 0.000 -0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 -0.000 -0.000) 0.000 4.051 ( 0.000 -0.000 0.000) 0.000 4.092 ( 0.000 -0.000 0.000) 0.000 4.183 ( 0.000 -0.000 -0.000) 0.000 4.251 ( 0.000 -0.000 -0.000) 0.000 4.285 ( 0.000 -0.000 -0.000) 0.000 4.351 ( 0.000 -0.000 -0.000) 0.000 4.478 ( 0.000 -0.000 0.000) 0.000 4.492 ( -0.000 -0.000 -0.000) 0.000 4.552 ( 0.000 -0.000 0.000) 0.000 4.594 ( 0.000 -0.000 -0.000) 0.000 4.785 ( 0.000 -0.000 -0.000) 0.000 4.899 ( 0.000 -0.000 0.000) 0.000 5.061 ( 0.000 -0.000 0.000) 0.000 5.258 ( 0.000 -0.000 -0.000) 0.000 5.550 ( 0.000 -0.000 0.000) 0.000 5.740 ( 0.000 -0.000 -0.000) 0.000 5.982 ( -0.000 -0.000 0.000) 0.000 6.027 ( 0.000 -0.000 -0.000) 0.000 11.568 ( 0.000 -0.000 0.000) 0.000 11.663 ( 0.000 -0.000 -0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.290 ( -0.000 -0.000 -0.000) 0.000 14.072 ( 0.000 -0.000 0.000) 0.000 14.551 ( 0.000 -0.000 0.000) 0.000 14.725 ( 0.000 -0.000 0.000) 0.000 15.106 ( 0.000 -0.000 -0.000) 0.000 16.610 ( 0.000 -0.000 0.000) 0.000 16.882 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 8 (5/89) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 22.795 -0.000 -2.943) 22.984 0.616 ( 23.644 -0.000 -2.414) 23.766 1.132 ( 42.335 -0.000 2.724) 42.423 1.911 ( -9.104 0.000 -0.770) 9.136 2.089 ( -12.902 0.000 2.415) 13.126 2.143 ( -4.726 0.000 0.913) 4.814 2.239 ( 1.877 -0.000 -2.920) 3.472 2.325 ( -0.826 0.000 0.812) 1.158 2.353 ( 1.626 -0.000 -4.713) 4.986 2.457 ( -4.514 0.000 -0.050) 4.514 2.543 ( -2.539 0.000 -0.039) 2.539 2.647 ( -0.592 0.000 -5.860) 5.890 2.656 ( 3.967 -0.000 1.570) 4.266 2.766 ( -0.920 0.000 0.835) 1.243 2.846 ( -4.598 0.000 1.153) 4.741 2.853 ( -2.368 0.000 -1.841) 3.000 2.915 ( 0.700 -0.000 -2.800) 2.886 3.046 ( 10.775 -0.000 3.153) 11.226 3.507 ( 7.626 -0.000 0.733) 7.661 3.644 ( 1.789 -0.000 7.548) 7.758 3.769 ( -4.459 0.000 -0.111) 4.460 3.833 ( -0.851 0.000 2.115) 2.280 3.853 ( 0.044 -0.000 -1.618) 1.619 3.923 ( -4.796 0.000 -0.952) 4.889 4.016 ( -1.234 0.000 1.580) 2.005 4.099 ( 0.295 -0.000 3.402) 3.414 4.107 ( 3.470 -0.000 -3.218) 4.733 4.162 ( 0.766 -0.000 -2.638) 2.747 4.238 ( -0.289 0.000 1.133) 1.169 4.386 ( -3.770 0.000 2.658) 4.613 4.479 ( 0.000 -0.000 -1.115) 1.115 4.547 ( -2.957 0.000 1.118) 3.161 4.561 ( 2.212 -0.000 3.465) 4.111 4.646 ( 3.563 -0.000 -4.763) 5.948 4.789 ( 1.010 -0.000 -0.815) 1.298 4.894 ( 1.262 -0.000 -5.737) 5.874 5.118 ( -8.460 0.000 5.606) 10.149 5.380 ( -1.846 0.000 4.903) 5.239 5.561 ( -3.991 0.000 1.957) 4.445 5.797 ( 1.206 -0.000 -3.963) 4.142 6.061 ( -2.217 0.000 2.236) 3.149 6.130 ( 4.279 -0.000 -8.222) 9.269 11.519 ( -1.339 0.000 -4.127) 4.339 11.604 ( 2.018 -0.000 0.690) 2.133 11.821 ( -3.912 0.000 4.803) 6.195 11.934 ( 1.372 -0.000 -0.275) 1.399 11.968 ( -0.106 0.000 -1.666) 1.669 13.885 ( -5.023 0.000 0.701) 5.071 14.075 ( 1.390 -0.000 -1.237) 1.861 14.199 ( 4.711 -0.000 10.097) 11.142 14.320 ( -0.779 0.000 -0.817) 1.129 16.083 ( 6.261 -0.000 2.672) 6.807 16.245 ( -1.032 0.000 -18.190) 18.219 16.827 ( -0.513 0.000 0.436) 0.673 ======================= Grid point 9 (6/89) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 19.383 -7.570 0.142) 20.809 1.061 ( 19.570 -13.548 -1.282) 23.836 1.690 ( 13.190 -4.244 -1.887) 13.984 1.772 ( 5.073 0.257 -1.344) 5.254 1.882 ( -9.590 4.925 2.689) 11.111 2.081 ( -3.719 -0.459 -0.465) 3.776 2.234 ( -0.080 2.587 0.147) 2.592 2.305 ( -1.889 0.143 -0.085) 1.897 2.368 ( 2.132 1.524 -0.990) 2.802 2.419 ( -2.447 -0.325 -0.695) 2.565 2.566 ( 0.829 -5.858 -1.648) 6.142 2.634 ( 0.090 -1.361 -1.948) 2.378 2.728 ( -1.258 0.856 2.074) 2.573 2.749 ( -0.187 -4.660 0.476) 4.688 2.844 ( -4.441 -4.471 -1.468) 6.470 2.895 ( -2.822 -7.954 -1.903) 8.652 2.950 ( 3.641 -1.506 -1.620) 4.260 3.168 ( 5.379 -0.642 2.227) 5.857 3.479 ( 3.810 12.856 1.299) 13.471 3.602 ( -0.483 6.653 6.721) 9.469 3.681 ( 1.114 4.550 0.426) 4.704 3.804 ( 0.082 -0.868 1.491) 1.728 3.856 ( -0.418 1.793 -3.717) 4.148 3.936 ( -2.295 -6.244 1.304) 6.779 3.996 ( -0.261 2.907 0.914) 3.059 4.088 ( -4.053 -1.568 3.598) 5.642 4.141 ( 0.583 0.495 -2.356) 2.477 4.190 ( 0.838 -2.893 -3.381) 4.528 4.289 ( -0.924 -0.885 -0.233) 1.301 4.330 ( -0.689 -0.402 2.236) 2.374 4.445 ( -3.473 -1.194 1.524) 3.976 4.517 ( -2.505 -1.035 -0.818) 2.831 4.582 ( 2.570 1.145 1.676) 3.275 4.708 ( 4.304 0.321 -3.690) 5.678 4.745 ( 2.582 5.569 -2.884) 6.783 4.942 ( -2.528 -0.221 -0.848) 2.675 4.990 ( -4.018 -0.993 -0.041) 4.139 5.339 ( -2.923 1.897 5.119) 6.192 5.499 ( -5.308 -0.878 2.866) 6.096 5.807 ( 1.098 1.137 -4.633) 4.895 6.020 ( -2.589 1.034 2.886) 4.013 6.116 ( 7.151 6.528 -5.129) 10.957 11.513 ( -1.372 -2.192 -4.397) 5.101 11.620 ( 2.158 1.507 0.184) 2.639 11.724 ( -3.114 1.848 -0.700) 3.688 11.931 ( 1.713 2.698 2.728) 4.202 12.324 ( -9.277 -33.810 -0.812) 35.070 13.743 ( -1.132 10.222 8.408) 13.284 13.982 ( -2.046 3.857 -6.215) 7.595 14.334 ( 1.452 -8.556 -2.407) 9.006 14.548 ( 2.237 -18.786 6.126) 19.885 15.689 ( 4.726 33.881 -2.218) 34.281 16.512 ( 3.450 -11.794 -4.439) 13.065 16.821 ( -1.318 -0.818 0.180) 1.562 ======================= Grid point 10 (7/89) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 6.721 -0.127 -0.300) 6.729 1.417 ( 3.030 0.542 -0.407) 3.104 1.570 ( 5.424 -3.267 -4.751) 7.916 1.632 ( -5.053 2.978 3.079) 6.624 2.008 ( -1.469 -1.779 0.193) 2.315 2.164 ( 3.607 0.747 0.961) 3.807 2.207 ( 0.323 -4.818 -4.066) 6.313 2.276 ( -1.543 -0.100 -0.311) 1.577 2.393 ( 3.723 -0.112 2.576) 4.528 2.421 ( 2.849 0.486 2.061) 3.550 2.662 ( 1.128 -1.416 1.293) 2.225 2.700 ( -5.638 -5.331 -2.412) 8.126 2.704 ( 1.926 0.790 -0.539) 2.151 2.817 ( -0.551 -2.781 1.880) 3.402 2.828 ( -3.110 -0.445 -2.524) 4.030 2.990 ( 1.772 -4.398 -2.908) 5.562 3.074 ( 3.900 -5.388 -1.527) 6.824 3.171 ( -1.187 -0.816 3.109) 3.426 3.286 ( 1.425 8.184 0.682) 8.335 3.493 ( 3.154 9.097 5.641) 11.159 3.645 ( 0.763 5.038 1.375) 5.278 3.803 ( 1.350 2.095 -0.488) 2.540 3.844 ( 0.981 0.123 -3.328) 3.471 3.936 ( 0.840 3.341 -2.043) 4.005 3.971 ( -4.802 -3.587 3.903) 7.153 4.065 ( -1.754 -1.563 0.546) 2.412 4.145 ( -1.396 -2.097 -2.287) 3.402 4.213 ( -3.329 -0.606 0.978) 3.522 4.276 ( 1.440 -2.893 -2.373) 4.009 4.346 ( -2.362 -0.411 -0.033) 2.398 4.451 ( -1.552 0.280 1.147) 1.950 4.530 ( 2.918 -1.896 1.807) 3.922 4.577 ( 1.096 2.447 -0.162) 2.686 4.694 ( 3.951 5.362 -1.787) 6.896 4.741 ( 0.062 -1.604 -2.753) 3.187 4.868 ( -3.271 -0.930 0.933) 3.526 5.040 ( -0.639 -1.530 0.880) 1.877 5.264 ( -1.364 1.433 -0.954) 2.196 5.467 ( -5.801 -3.442 4.850) 8.308 5.789 ( 1.565 2.779 -4.579) 5.580 5.966 ( -2.946 1.348 3.675) 4.899 6.109 ( 5.028 4.134 -3.069) 7.196 11.555 ( -0.470 -3.683 -2.877) 4.697 11.610 ( -0.025 0.286 -1.835) 1.858 11.690 ( -0.133 0.500 2.195) 2.255 11.895 ( 1.946 4.088 0.979) 4.632 12.742 ( -7.955 -30.743 -2.127) 31.827 13.583 ( 4.312 11.231 11.789) 16.844 13.911 ( -7.217 -2.677 -9.613) 12.315 14.494 ( 0.839 -8.113 -1.007) 8.218 14.901 ( 5.452 -17.626 4.151) 18.911 15.189 ( 2.644 32.550 -2.539) 32.756 16.649 ( 2.752 0.576 0.287) 2.826 16.830 ( -2.438 -3.673 -0.699) 4.464 ======================= Grid point 11 (8/89) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -8.745 15.866 -3.517) 18.455 1.188 ( -5.761 18.462 -1.046) 19.368 1.747 ( 9.349 -10.162 1.916) 13.941 1.894 ( 8.150 -8.064 -2.428) 11.720 1.988 ( -3.482 3.669 2.602) 5.688 2.154 ( -0.620 0.494 2.779) 2.890 2.209 ( -2.375 18.008 0.557) 18.173 2.257 ( -0.670 -1.036 -2.058) 2.400 2.314 ( 0.713 -2.774 1.051) 3.051 2.444 ( 0.861 -0.093 0.404) 0.956 2.601 ( -2.247 -1.555 -1.307) 3.029 2.675 ( -0.614 1.899 1.351) 2.410 2.729 ( -3.539 -3.474 -0.108) 4.960 2.802 ( -1.168 0.043 -2.348) 2.623 2.917 ( -0.278 -6.894 -0.563) 6.922 3.029 ( 3.717 3.771 0.612) 5.330 3.142 ( 0.765 -0.020 -0.180) 0.786 3.185 ( -0.997 1.281 0.611) 1.734 3.365 ( 2.244 12.448 1.268) 12.712 3.409 ( 6.907 -6.942 -4.275) 10.686 3.515 ( -3.308 -1.206 5.763) 6.754 3.772 ( 1.866 3.874 -2.398) 4.923 3.876 ( 0.956 -1.563 -0.589) 1.925 3.925 ( 0.176 -0.727 1.711) 1.867 4.019 ( -1.574 -5.123 0.928) 5.439 4.073 ( 1.193 -1.382 -1.905) 2.639 4.144 ( -1.942 -1.324 -2.909) 3.740 4.219 ( -3.283 -3.962 2.555) 5.745 4.324 ( -1.527 -2.791 -1.174) 3.391 4.338 ( 1.564 -0.387 -1.103) 1.953 4.427 ( 0.494 1.079 -0.479) 1.279 4.499 ( -2.046 5.560 2.114) 6.290 4.588 ( 1.258 -0.504 -0.453) 1.429 4.679 ( 6.356 4.892 -2.928) 8.538 4.786 ( 1.378 -1.513 2.514) 3.242 4.891 ( -1.063 -4.744 -1.715) 5.156 4.968 ( -6.219 1.911 5.201) 8.329 5.313 ( 3.992 -3.200 -7.506) 9.084 5.458 ( -5.889 -4.635 5.943) 9.565 5.758 ( 0.779 2.788 -2.648) 3.924 5.904 ( -2.258 2.068 3.166) 4.405 6.100 ( 2.057 2.386 -1.419) 3.455 11.568 ( -0.014 0.813 -1.629) 1.821 11.664 ( 0.215 -3.558 3.052) 4.693 11.677 ( -0.043 -0.279 -1.058) 1.094 11.869 ( 2.127 1.732 -0.543) 2.797 13.128 ( -2.825 -24.288 -2.617) 24.591 13.500 ( 9.173 9.618 8.639) 15.852 13.908 ( -9.480 -11.326 -7.717) 16.665 14.582 ( 1.678 0.916 2.313) 3.001 14.706 ( -1.259 26.324 -4.190) 26.685 15.255 ( 7.361 -15.368 1.237) 17.085 16.571 ( -2.281 8.545 2.730) 9.256 16.864 ( -0.804 -2.103 -0.256) 2.266 ======================= Grid point 12 (9/89) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.000 18.934 -0.000) 18.934 0.800 ( -0.000 22.940 -0.000) 22.940 1.483 ( -0.000 40.547 -0.000) 40.547 1.979 ( 0.000 -7.573 0.000) 7.573 2.057 ( 0.000 -6.842 0.000) 6.842 2.117 ( 0.000 -3.373 0.000) 3.373 2.180 ( 0.000 -2.018 0.000) 2.018 2.270 ( 0.000 -1.459 0.000) 1.459 2.437 ( -0.000 0.176 -0.000) 0.176 2.449 ( 0.000 -6.906 0.000) 6.906 2.609 ( -0.000 0.287 -0.000) 0.287 2.617 ( -0.000 3.098 -0.000) 3.098 2.750 ( 0.000 -1.306 0.000) 1.306 2.779 ( -0.000 0.957 -0.000) 0.957 2.962 ( -0.000 5.843 -0.000) 5.843 3.022 ( -0.000 11.689 -0.000) 11.689 3.028 ( 0.000 -3.761 0.000) 3.761 3.144 ( -0.000 5.426 -0.000) 5.426 3.198 ( -0.000 3.657 -0.000) 3.657 3.501 ( 0.000 -5.432 0.000) 5.432 3.624 ( 0.000 -4.448 0.000) 4.448 3.813 ( 0.000 -6.729 0.000) 6.729 3.883 ( -0.000 2.193 -0.000) 2.193 3.960 ( 0.000 -3.922 0.000) 3.922 4.046 ( 0.000 -1.416 0.000) 1.416 4.095 ( -0.000 0.873 -0.000) 0.873 4.207 ( 0.000 -3.434 0.000) 3.434 4.225 ( -0.000 0.384 -0.000) 0.384 4.336 ( -0.000 4.185 -0.000) 4.185 4.340 ( -0.000 0.718 -0.000) 0.718 4.435 ( 0.000 -7.498 0.000) 7.498 4.443 ( 0.000 -0.900 0.000) 0.900 4.588 ( -0.000 1.823 -0.000) 1.823 4.674 ( -0.000 2.048 -0.000) 2.048 4.743 ( -0.000 5.248 -0.000) 5.248 4.913 ( 0.000 -0.719 0.000) 0.719 5.000 ( 0.000 -6.725 0.000) 6.725 5.383 ( 0.000 -1.360 0.000) 1.360 5.501 ( 0.000 -5.654 0.000) 5.654 5.713 ( -0.000 2.717 -0.000) 2.717 5.850 ( -0.000 2.630 -0.000) 2.630 6.087 ( -0.000 0.632 -0.000) 0.632 11.558 ( -0.000 0.004 -0.000) 0.004 11.620 ( -0.000 3.947 -0.000) 3.947 11.770 ( 0.000 -5.737 0.000) 5.737 11.884 ( 0.000 -1.106 0.000) 1.106 13.447 ( 0.000 -17.046 0.000) 17.046 13.455 ( -0.000 7.144 -0.000) 7.144 14.105 ( 0.000 -20.658 0.000) 20.658 14.298 ( -0.000 18.678 -0.000) 18.678 14.514 ( -0.000 10.170 -0.000) 10.170 15.559 ( 0.000 -12.783 0.000) 12.783 16.344 ( -0.000 14.312 -0.000) 14.312 16.869 ( -0.000 0.819 -0.000) 0.819 ======================= Grid point 15 (10/89) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 16.566 -0.000 -2.376) 16.736 1.180 ( 20.130 -0.000 -3.271) 20.394 1.656 ( -8.239 0.000 -2.065) 8.494 1.789 ( -9.472 0.000 2.516) 9.801 2.023 ( -3.576 0.000 1.212) 3.776 2.055 ( 19.291 -0.000 -3.215) 19.557 2.199 ( -1.458 0.000 7.467) 7.608 2.347 ( 4.835 -0.000 -0.154) 4.838 2.372 ( -3.286 0.000 -6.325) 7.128 2.405 ( 2.016 -0.000 -0.653) 2.119 2.539 ( 2.780 -0.000 3.127) 4.184 2.644 ( 2.984 -0.000 -3.157) 4.344 2.645 ( -6.424 0.000 -0.308) 6.432 2.745 ( -2.947 0.000 -2.717) 4.009 2.746 ( 0.090 -0.000 2.133) 2.134 2.814 ( 1.799 -0.000 -0.219) 1.813 3.017 ( 6.385 -0.000 -0.890) 6.446 3.210 ( 0.612 -0.000 0.877) 1.069 3.631 ( -2.876 0.000 3.021) 4.171 3.695 ( 6.258 -0.000 1.579) 6.454 3.698 ( -0.467 0.000 5.148) 5.169 3.806 ( -3.687 0.000 -0.625) 3.740 3.828 ( 0.730 -0.000 0.353) 0.811 3.861 ( -0.391 0.000 -3.278) 3.301 3.976 ( -1.942 0.000 1.497) 2.452 4.096 ( -1.349 0.000 2.197) 2.578 4.163 ( 0.862 -0.000 -1.567) 1.788 4.188 ( 0.662 -0.000 -2.890) 2.965 4.247 ( 0.786 -0.000 0.503) 0.933 4.304 ( -2.444 0.000 2.687) 3.632 4.345 ( -8.358 0.000 -3.101) 8.914 4.486 ( 0.549 -0.000 -0.757) 0.935 4.619 ( 2.304 -0.000 1.673) 2.847 4.743 ( 0.527 -0.000 -2.141) 2.205 4.860 ( -3.924 0.000 1.423) 4.174 4.914 ( 3.486 -0.000 -1.040) 3.638 4.923 ( 0.888 -0.000 -3.786) 3.889 5.319 ( -2.673 0.000 4.177) 4.959 5.398 ( -8.514 0.000 3.019) 9.033 5.836 ( 1.820 -0.000 -4.829) 5.161 5.992 ( -2.854 0.000 3.573) 4.573 6.246 ( 4.127 -0.000 -3.746) 5.573 11.484 ( -1.112 0.000 -3.522) 3.694 11.672 ( 2.883 -0.000 0.151) 2.887 11.713 ( -3.814 0.000 -0.539) 3.852 11.957 ( -0.704 0.000 -1.108) 1.313 11.974 ( 1.389 -0.000 1.573) 2.098 13.771 ( -3.466 0.000 0.853) 3.569 14.083 ( -0.451 0.000 -1.105) 1.193 14.301 ( -0.561 0.000 -0.973) 1.123 14.337 ( 4.977 -0.000 3.925) 6.338 16.211 ( -1.112 0.000 -5.578) 5.688 16.256 ( 6.082 -0.000 2.519) 6.583 16.808 ( -0.883 0.000 0.535) 1.032 ======================= Grid point 16 (11/89) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 10.826 -2.005 0.571) 11.025 1.432 ( 4.473 -3.935 -0.462) 5.975 1.547 ( 2.397 -1.354 -7.278) 7.781 1.650 ( -5.143 5.395 2.151) 7.758 1.982 ( -1.466 0.506 2.854) 3.248 2.067 ( -8.026 -4.583 1.138) 9.312 2.267 ( 3.141 4.010 -1.699) 5.369 2.301 ( -1.126 1.969 -1.222) 2.577 2.418 ( 2.517 -1.174 -0.343) 2.798 2.466 ( 6.246 1.661 2.232) 6.838 2.563 ( -2.845 -3.567 -1.471) 4.794 2.639 ( 0.318 -3.076 1.381) 3.387 2.739 ( 3.648 -1.800 -0.337) 4.082 2.766 ( 0.459 -2.707 2.347) 3.613 2.778 ( 1.056 -4.163 -2.859) 5.159 2.892 ( 2.284 -6.864 -1.316) 7.353 3.091 ( 4.648 -0.681 -0.916) 4.786 3.177 ( -1.712 1.408 1.921) 2.933 3.480 ( -0.496 13.596 0.424) 13.612 3.624 ( -1.008 4.724 4.104) 6.339 3.740 ( 1.760 1.089 -0.046) 2.070 3.802 ( -1.829 0.663 0.069) 1.946 3.849 ( 0.275 -2.041 -0.443) 2.107 3.873 ( 0.527 -1.279 -0.460) 1.457 3.996 ( -0.617 -4.501 0.520) 4.573 4.041 ( 0.363 4.957 2.412) 5.525 4.110 ( -4.040 1.361 -5.173) 6.704 4.178 ( -0.679 0.208 -0.054) 0.712 4.229 ( -1.799 -0.955 -1.397) 2.470 4.277 ( -3.693 -0.889 1.304) 4.016 4.426 ( 4.375 -7.687 1.162) 8.921 4.502 ( -0.406 -1.730 0.301) 1.802 4.636 ( 1.583 1.641 -0.253) 2.294 4.690 ( -4.623 2.207 -0.653) 5.165 4.794 ( -1.541 0.749 0.551) 1.800 4.901 ( 4.028 3.363 -3.412) 6.259 5.027 ( 4.042 -0.516 0.743) 4.142 5.253 ( -4.232 0.873 -0.706) 4.378 5.335 ( -5.348 -3.051 4.441) 7.591 5.844 ( 1.463 1.580 -3.688) 4.271 5.953 ( -2.103 0.866 3.057) 3.810 6.242 ( 2.660 4.858 -1.836) 5.835 11.488 ( -0.485 -2.377 -1.782) 3.010 11.638 ( -0.855 2.521 -1.645) 3.129 11.703 ( 1.080 0.374 1.238) 1.685 11.969 ( 0.965 2.298 0.365) 2.519 12.187 ( -2.507 -25.249 -0.099) 25.374 13.720 ( -0.571 2.138 3.940) 4.518 13.932 ( -1.372 11.349 -3.745) 12.029 14.360 ( 0.533 -7.681 -1.232) 7.797 14.604 ( 1.485 -19.442 2.455) 19.653 15.789 ( 2.346 31.864 -0.918) 31.963 16.580 ( 1.864 -14.130 -0.127) 14.253 16.782 ( -1.375 1.818 0.176) 2.286 ======================= Grid point 17 (12/89) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.000 14.891 -0.000) 14.891 1.430 ( -0.000 14.009 -0.000) 14.009 1.688 ( 0.000 -7.278 0.000) 7.278 1.712 ( 0.000 -14.849 0.000) 14.849 1.993 ( 0.000 -0.732 0.000) 0.732 2.094 ( 0.000 -5.579 0.000) 5.579 2.235 ( 0.000 -0.822 0.000) 0.822 2.265 ( -0.000 1.760 -0.000) 1.760 2.440 ( -0.000 2.936 -0.000) 2.936 2.504 ( 0.000 -5.329 0.000) 5.329 2.559 ( -0.000 9.019 -0.000) 9.019 2.662 ( 0.000 -1.228 0.000) 1.228 2.735 ( -0.000 2.804 -0.000) 2.804 2.789 ( -0.000 1.239 -0.000) 1.239 2.829 ( 0.000 -4.278 0.000) 4.278 3.052 ( 0.000 -8.796 0.000) 8.796 3.122 ( -0.000 2.839 -0.000) 2.839 3.198 ( 0.000 -0.462 0.000) 0.462 3.333 ( 0.000 -3.033 0.000) 3.033 3.520 ( -0.000 6.860 -0.000) 6.860 3.627 ( -0.000 12.152 -0.000) 12.152 3.829 ( 0.000 -4.212 0.000) 4.212 3.880 ( -0.000 4.010 -0.000) 4.010 3.881 ( 0.000 -2.277 0.000) 2.277 3.982 ( -0.000 0.732 -0.000) 0.732 4.066 ( 0.000 -3.695 0.000) 3.695 4.075 ( 0.000 -0.518 0.000) 0.518 4.175 ( -0.000 0.478 -0.000) 0.478 4.233 ( 0.000 -4.415 0.000) 4.415 4.309 ( 0.000 -3.523 0.000) 3.523 4.465 ( -0.000 2.326 -0.000) 2.326 4.586 ( -0.000 3.631 -0.000) 3.631 4.601 ( -0.000 1.581 -0.000) 1.581 4.670 ( 0.000 -9.822 0.000) 9.822 4.775 ( -0.000 1.586 -0.000) 1.586 4.903 ( -0.000 0.659 -0.000) 0.659 4.966 ( -0.000 6.855 -0.000) 6.855 5.293 ( 0.000 -6.066 0.000) 6.066 5.332 ( 0.000 -1.645 0.000) 1.645 5.816 ( -0.000 2.931 -0.000) 2.931 5.919 ( -0.000 1.487 -0.000) 1.487 6.176 ( -0.000 4.826 -0.000) 4.826 11.549 ( 0.000 -4.685 0.000) 4.685 11.604 ( -0.000 0.756 -0.000) 0.756 11.699 ( -0.000 0.806 -0.000) 0.806 11.928 ( -0.000 3.303 -0.000) 3.303 12.641 ( 0.000 -30.669 0.000) 30.669 13.722 ( 0.000 -2.308 0.000) 2.308 13.728 ( -0.000 10.681 -0.000) 10.681 14.510 ( 0.000 -8.589 0.000) 8.589 14.936 ( 0.000 -16.827 0.000) 16.827 15.274 ( -0.000 30.012 -0.000) 30.012 16.697 ( -0.000 6.538 -0.000) 6.538 16.776 ( 0.000 -7.864 0.000) 7.864 ======================= Grid point 23 (13/89) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 -0.000 -0.000) 0.000 1.500 ( 0.000 -0.000 0.000) 0.000 1.562 ( -0.000 0.000 -0.000) 0.000 1.664 ( 0.000 -0.000 0.000) 0.000 1.940 ( 0.000 -0.000 -0.000) 0.000 1.983 ( -0.000 0.000 -0.000) 0.000 2.278 ( 0.000 -0.000 0.000) 0.000 2.328 ( 0.000 -0.000 -0.000) 0.000 2.468 ( 0.000 -0.000 -0.000) 0.000 2.496 ( 0.000 -0.000 0.000) 0.000 2.601 ( 0.000 -0.000 0.000) 0.000 2.601 ( 0.000 -0.000 0.000) 0.000 2.649 ( 0.000 -0.000 -0.000) 0.000 2.754 ( 0.000 -0.000 -0.000) 0.000 2.784 ( 0.000 -0.000 -0.000) 0.000 2.854 ( 0.000 -0.000 0.000) 0.000 3.142 ( 0.000 -0.000 -0.000) 0.000 3.149 ( 0.000 -0.000 -0.000) 0.000 3.637 ( 0.000 -0.000 -0.000) 0.000 3.652 ( -0.000 0.000 0.000) 0.000 3.722 ( 0.000 -0.000 0.000) 0.000 3.802 ( 0.000 -0.000 0.000) 0.000 3.834 ( 0.000 -0.000 0.000) 0.000 3.857 ( 0.000 -0.000 0.000) 0.000 3.947 ( -0.000 0.000 0.000) 0.000 4.059 ( 0.000 -0.000 0.000) 0.000 4.114 ( 0.000 -0.000 0.000) 0.000 4.166 ( 0.000 -0.000 -0.000) 0.000 4.247 ( 0.000 -0.000 -0.000) 0.000 4.283 ( -0.000 0.000 0.000) 0.000 4.315 ( 0.000 -0.000 -0.000) 0.000 4.496 ( 0.000 -0.000 0.000) 0.000 4.657 ( 0.000 -0.000 -0.000) 0.000 4.677 ( 0.000 -0.000 0.000) 0.000 4.797 ( 0.000 -0.000 -0.000) 0.000 4.934 ( 0.000 -0.000 0.000) 0.000 5.121 ( 0.000 -0.000 -0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 5.277 ( 0.000 -0.000 -0.000) 0.000 5.869 ( 0.000 -0.000 0.000) 0.000 5.945 ( 0.000 -0.000 -0.000) 0.000 6.303 ( 0.000 -0.000 0.000) 0.000 11.468 ( 0.000 -0.000 -0.000) 0.000 11.660 ( 0.000 -0.000 0.000) 0.000 11.717 ( 0.000 -0.000 0.000) 0.000 11.944 ( 0.000 -0.000 -0.000) 0.000 11.993 ( 0.000 -0.000 -0.000) 0.000 13.726 ( 0.000 -0.000 0.000) 0.000 14.073 ( 0.000 -0.000 -0.000) 0.000 14.294 ( 0.000 -0.000 0.000) 0.000 14.408 ( 0.000 -0.000 0.000) 0.000 16.195 ( 0.000 -0.000 -0.000) 0.000 16.341 ( 0.000 -0.000 0.000) 0.000 16.794 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 39 (14/89) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -3.382 0.000 21.857) 22.117 0.443 ( 15.695 -0.000 22.521) 27.451 0.752 ( -7.628 0.000 38.004) 38.762 2.049 ( 0.087 -0.000 0.039) 0.096 2.133 ( 0.876 -0.000 -5.111) 5.185 2.270 ( -2.483 0.000 -6.166) 6.647 2.315 ( 3.485 -0.000 -0.900) 3.599 2.407 ( -3.202 0.000 3.053) 4.424 2.447 ( 0.218 -0.000 4.381) 4.386 2.572 ( -6.394 0.000 -3.158) 7.131 2.599 ( 3.906 -0.000 1.065) 4.048 2.628 ( -4.521 0.000 1.325) 4.712 2.775 ( -3.860 0.000 -4.562) 5.976 2.788 ( 0.259 -0.000 0.037) 0.261 2.913 ( -0.403 0.000 4.899) 4.916 2.955 ( 5.685 -0.000 8.452) 10.186 2.958 ( -3.473 0.000 0.295) 3.486 3.101 ( 1.146 -0.000 7.208) 7.299 3.406 ( -0.153 0.000 1.402) 1.410 3.505 ( 6.986 -0.000 -10.006) 12.204 3.765 ( -0.558 0.000 -3.031) 3.082 3.826 ( 2.740 -0.000 -2.975) 4.044 3.921 ( -3.875 0.000 -2.073) 4.395 3.960 ( -0.171 0.000 -4.203) 4.207 4.073 ( 0.522 -0.000 1.192) 1.301 4.116 ( -1.634 0.000 3.898) 4.226 4.141 ( -0.257 0.000 1.665) 1.685 4.253 ( 0.794 -0.000 0.991) 1.270 4.295 ( -9.710 0.000 0.045) 9.710 4.362 ( 1.062 -0.000 -8.741) 8.805 4.432 ( 28.180 -0.000 2.055) 28.255 4.445 ( 0.701 -0.000 -1.834) 1.963 4.536 ( 0.600 -0.000 1.849) 1.943 4.586 ( 1.742 -0.000 -3.080) 3.538 4.732 ( -0.783 0.000 -0.347) 0.857 4.893 ( -12.529 0.000 11.398) 16.938 4.913 ( -1.584 0.000 0.684) 1.725 5.316 ( 1.889 -0.000 -6.447) 6.718 5.578 ( -0.973 0.000 -2.079) 2.296 5.758 ( -6.301 0.000 4.637) 7.823 5.824 ( -2.137 0.000 3.379) 3.998 6.082 ( 1.620 -0.000 -0.909) 1.858 11.544 ( -2.919 0.000 0.468) 2.956 11.596 ( 0.804 -0.000 1.706) 1.886 11.909 ( -3.430 0.000 -0.989) 3.570 11.931 ( -1.259 0.000 -3.546) 3.762 13.110 ( 4.639 -0.000 2.782) 5.409 13.999 ( -3.139 0.000 -2.478) 3.999 14.083 ( 2.019 -0.000 9.141) 9.361 14.185 ( 49.226 -0.000 -3.156) 49.327 14.250 ( -0.299 0.000 -7.649) 7.655 15.347 ( -56.890 0.000 -2.529) 56.946 16.041 ( 2.249 -0.000 4.476) 5.010 16.796 ( 0.602 -0.000 -3.728) 3.777 ======================= Grid point 40 (15/89) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 10.140 -13.602 12.126) 20.853 0.764 ( 12.497 -15.460 15.888) 25.448 1.136 ( 18.561 -24.032 22.294) 37.671 1.986 ( -5.308 4.313 -0.687) 6.873 2.107 ( -3.685 3.244 -3.132) 5.823 2.205 ( -7.563 1.638 -1.521) 7.887 2.255 ( 0.286 2.718 -0.324) 2.752 2.372 ( -3.647 0.920 3.771) 5.326 2.418 ( -0.251 2.793 4.883) 5.631 2.496 ( -1.041 1.408 -0.234) 1.767 2.540 ( -3.483 2.378 0.299) 4.228 2.674 ( -2.437 -0.316 5.110) 5.670 2.737 ( 1.984 -8.042 -0.934) 8.336 2.820 ( -0.865 -2.757 0.813) 3.002 2.875 ( -2.164 2.553 0.589) 3.398 2.915 ( 1.465 -0.860 2.561) 3.073 2.989 ( -1.359 -4.384 5.420) 7.102 3.111 ( -0.559 -5.833 6.164) 8.505 3.359 ( 6.013 8.323 2.294) 10.521 3.531 ( 3.499 3.317 -7.603) 9.003 3.691 ( -1.090 7.043 -0.950) 7.189 3.824 ( -0.063 -2.191 -1.311) 2.554 3.940 ( -3.057 4.530 2.687) 6.090 3.984 ( -0.890 -6.139 -2.389) 6.647 4.046 ( -0.013 -0.834 -0.802) 1.157 4.068 ( 0.559 1.863 0.672) 2.057 4.102 ( -0.916 2.791 -0.762) 3.035 4.248 ( 0.207 -4.291 2.352) 4.898 4.306 ( -1.395 -3.762 1.250) 4.202 4.415 ( 0.036 -2.866 -3.055) 4.189 4.427 ( 4.091 2.664 -4.628) 6.727 4.486 ( 1.348 1.721 -1.992) 2.957 4.625 ( -0.034 -2.092 -0.741) 2.220 4.655 ( -0.087 10.664 3.743) 11.302 4.685 ( -7.416 -1.572 6.407) 9.926 4.867 ( 1.757 -1.087 -3.189) 3.800 5.044 ( 5.720 -2.796 -6.848) 9.351 5.346 ( 3.971 0.346 -8.269) 9.180 5.570 ( 2.777 2.759 -1.961) 4.378 5.710 ( 0.639 0.713 2.804) 2.963 5.822 ( -2.393 -2.604 3.080) 4.690 6.088 ( 0.376 0.620 -0.386) 0.822 11.487 ( -2.066 -0.935 -1.225) 2.577 11.605 ( 1.426 0.664 2.218) 2.720 11.789 ( -4.235 2.811 -1.648) 5.343 12.016 ( -1.749 -2.585 1.345) 3.399 12.860 ( -18.815 -6.393 2.167) 19.989 13.916 ( -1.304 11.152 -4.178) 11.980 14.075 ( -7.195 3.087 4.332) 8.948 14.309 ( -0.972 -16.518 4.842) 17.240 14.581 ( 15.927 8.627 -1.228) 18.155 15.265 ( -1.237 -11.682 -18.231) 21.689 16.187 ( 5.885 -9.987 3.114) 12.003 16.805 ( 0.643 -0.616 -3.372) 3.488 ======================= Grid point 41 (16/89) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 11.354 -14.355 5.639) 19.152 1.189 ( 13.837 -14.080 9.776) 22.029 1.663 ( -1.013 -1.044 -1.616) 2.174 1.853 ( 3.000 -7.787 8.491) 11.906 1.917 ( -8.039 6.156 2.993) 10.558 2.100 ( -5.740 -1.228 -0.630) 5.904 2.282 ( 2.743 0.080 0.117) 2.746 2.289 ( 1.946 3.652 5.407) 6.809 2.403 ( 2.142 1.143 5.769) 6.259 2.458 ( -2.477 -1.315 1.062) 2.999 2.587 ( 0.593 -6.122 -2.274) 6.557 2.679 ( 0.422 -0.794 4.182) 4.278 2.820 ( -0.032 2.103 -0.999) 2.329 2.853 ( -2.514 -5.085 -1.732) 5.931 2.869 ( 0.203 -3.340 4.630) 5.712 2.988 ( -1.111 -4.712 -2.265) 5.345 3.038 ( -1.934 -3.397 -0.955) 4.024 3.194 ( 2.235 -2.643 1.390) 3.731 3.294 ( 3.690 7.139 6.532) 10.357 3.503 ( -1.061 4.529 -2.322) 5.199 3.556 ( 1.640 7.260 -2.975) 8.015 3.796 ( -3.956 3.549 5.124) 7.383 3.859 ( -0.932 -1.098 -0.241) 1.460 3.960 ( -1.748 4.230 1.301) 4.758 4.043 ( 1.344 -0.264 -2.769) 3.089 4.074 ( -0.940 -0.381 -2.651) 2.839 4.147 ( 3.267 -3.059 -1.899) 4.862 4.314 ( -2.298 -0.806 1.080) 2.664 4.338 ( 0.468 5.286 0.977) 5.396 4.348 ( -3.650 -4.335 2.717) 6.285 4.466 ( 1.926 0.926 -0.848) 2.299 4.511 ( 2.042 2.633 1.376) 3.605 4.568 ( 1.470 -2.601 -3.666) 4.729 4.597 ( -4.158 -1.410 0.666) 4.441 4.657 ( 0.534 0.332 1.315) 1.458 4.887 ( -0.127 -0.493 -4.434) 4.464 5.026 ( -1.712 2.456 1.278) 3.255 5.392 ( 3.144 0.346 -5.555) 6.392 5.501 ( -0.851 5.837 0.520) 5.922 5.746 ( 2.573 -0.452 -1.315) 2.925 5.854 ( 0.806 -2.786 0.068) 2.901 6.077 ( -0.954 0.239 -0.060) 0.985 11.532 ( -0.675 -5.518 -0.679) 5.601 11.603 ( -0.493 0.355 0.789) 0.996 11.726 ( -0.667 0.356 0.487) 0.899 11.958 ( -2.153 5.017 4.767) 7.248 12.903 ( -8.094 -16.089 -6.694) 19.214 13.614 ( 1.088 21.009 -2.618) 21.200 14.034 ( -8.499 -6.563 -1.085) 10.793 14.509 ( 3.082 -4.790 1.821) 5.980 14.704 ( 12.318 -1.053 5.091) 13.370 15.201 ( -10.686 3.302 -6.016) 12.700 16.438 ( 7.083 -7.265 -2.649) 10.486 16.838 ( 0.787 -2.173 -2.432) 3.354 ======================= Grid point 42 (17/89) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -5.754 4.407 3.668) 8.123 1.450 ( -5.997 3.760 6.348) 9.508 1.500 ( 2.855 -4.357 -4.103) 6.631 1.670 ( 4.733 -1.098 2.548) 5.486 2.100 ( 0.674 -2.214 -1.443) 2.727 2.136 ( 3.836 -2.033 8.172) 9.254 2.277 ( -1.072 -4.717 2.212) 5.319 2.337 ( -1.272 -1.258 0.976) 2.038 2.411 ( 5.126 2.468 4.863) 7.485 2.459 ( -3.064 4.328 6.547) 8.425 2.672 ( -0.063 -1.295 0.368) 1.348 2.729 ( 1.619 0.480 4.379) 4.693 2.797 ( 0.487 2.402 -1.417) 2.831 2.844 ( -3.166 -3.344 3.068) 5.533 2.891 ( -2.163 -4.663 -1.444) 5.339 2.985 ( 0.090 3.737 2.697) 4.609 3.104 ( -0.645 -6.096 -2.271) 6.538 3.179 ( 1.513 3.757 -1.506) 4.321 3.275 ( -0.611 -2.142 2.537) 3.375 3.345 ( 0.508 10.012 3.399) 10.586 3.575 ( 5.408 -0.124 -3.412) 6.396 3.756 ( -2.624 -1.207 0.985) 3.052 3.835 ( -1.578 -0.738 -0.703) 1.879 3.898 ( -0.908 0.839 0.711) 1.426 4.040 ( 0.361 1.689 -3.468) 3.874 4.074 ( 0.463 0.010 0.164) 0.492 4.173 ( -1.926 2.191 -0.784) 3.021 4.264 ( 1.850 -2.079 0.955) 2.942 4.329 ( -0.582 0.768 1.314) 1.629 4.353 ( -2.708 -1.567 2.461) 3.981 4.458 ( -2.747 0.260 -1.658) 3.219 4.521 ( 4.495 2.170 2.099) 5.414 4.549 ( -1.402 -1.590 0.364) 2.151 4.616 ( -1.821 1.207 1.669) 2.750 4.717 ( 2.635 -4.321 -6.850) 8.517 4.873 ( 0.191 1.032 -4.081) 4.214 5.021 ( 1.425 -1.642 1.268) 2.517 5.348 ( -4.615 3.088 6.267) 8.373 5.458 ( 4.224 1.488 -7.584) 8.808 5.776 ( -1.400 -2.635 1.413) 3.302 5.920 ( 3.790 -1.218 -3.088) 5.038 6.053 ( -2.660 -0.005 0.434) 2.695 11.558 ( -2.227 -0.862 -0.707) 2.490 11.658 ( 1.317 -4.091 1.057) 4.426 11.741 ( 1.804 -0.721 5.246) 5.594 11.853 ( -1.548 3.063 2.316) 4.140 13.103 ( -3.123 -13.538 -7.496) 15.787 13.308 ( 7.175 19.746 -4.451) 21.476 14.038 ( -6.670 -5.704 -2.846) 9.226 14.538 ( 5.580 7.864 -2.536) 9.970 14.799 ( -9.415 -3.163 7.560) 12.482 15.098 ( 4.254 -1.553 -0.520) 4.558 16.573 ( 2.625 -2.116 -3.084) 4.570 16.874 ( 0.285 -0.571 -1.216) 1.373 ======================= Grid point 43 (18/89) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -15.056 13.334 2.747) 20.299 1.080 ( -14.924 15.189 7.762) 22.664 1.769 ( 8.883 -10.043 -2.298) 13.603 1.887 ( 8.564 -1.922 0.986) 8.832 1.965 ( -14.648 19.656 12.915) 27.708 2.139 ( 4.298 2.236 -1.053) 4.958 2.242 ( -2.154 -3.902 5.579) 7.141 2.360 ( -0.008 -3.195 5.145) 6.056 2.379 ( 0.974 -3.288 5.882) 6.809 2.467 ( 6.215 -0.035 2.736) 6.791 2.659 ( -1.229 2.469 -4.705) 5.454 2.683 ( -3.175 -0.977 3.971) 5.177 2.729 ( -0.679 3.946 4.895) 6.324 2.865 ( 1.725 0.909 2.328) 3.037 2.914 ( -0.566 3.752 0.208) 3.801 3.018 ( -3.058 -4.429 -3.792) 6.584 3.087 ( -0.501 4.784 -2.129) 5.261 3.123 ( -0.023 7.305 1.823) 7.529 3.245 ( -0.333 -2.044 3.239) 3.844 3.409 ( 3.691 -5.668 -0.639) 6.794 3.608 ( 0.701 -3.104 0.231) 3.190 3.773 ( 0.737 -2.508 -0.434) 2.650 3.848 ( 1.945 0.096 -2.798) 3.409 3.928 ( 0.395 -0.937 0.911) 1.365 4.028 ( 2.041 -0.535 -7.387) 7.682 4.082 ( 1.222 0.885 2.415) 2.847 4.131 ( -2.291 -0.703 -0.112) 2.399 4.281 ( -1.810 1.009 -0.979) 2.292 4.332 ( 2.024 -0.164 2.090) 2.914 4.348 ( -0.176 0.447 2.631) 2.674 4.418 ( -1.735 -0.370 -1.371) 2.242 4.513 ( -0.465 3.730 -0.458) 3.787 4.562 ( 0.999 0.372 1.848) 2.133 4.585 ( -3.341 -3.720 -1.487) 5.217 4.790 ( 1.003 -1.248 -3.963) 4.274 4.902 ( 4.081 -1.270 -6.302) 7.614 5.045 ( -0.785 0.550 3.970) 4.084 5.281 ( -2.770 -1.500 2.609) 4.090 5.498 ( 2.887 -0.660 -3.594) 4.657 5.801 ( -3.043 -3.752 1.702) 5.122 5.981 ( 1.470 -0.827 -1.651) 2.360 6.006 ( -2.543 0.532 -0.465) 2.640 11.557 ( -0.951 -1.497 -0.077) 1.776 11.628 ( -2.048 4.157 -0.287) 4.643 11.840 ( 4.616 -0.855 3.676) 5.962 11.863 ( 0.090 -7.421 7.612) 10.632 12.960 ( 8.669 22.606 -11.941) 26.996 13.444 ( 5.702 -14.116 2.432) 15.417 14.050 ( -3.120 -3.234 -3.062) 5.438 14.417 ( -2.230 7.654 -6.113) 10.046 14.641 ( -7.674 7.104 6.826) 12.488 15.284 ( 6.046 -9.912 -1.802) 11.750 16.579 ( -2.096 2.388 -1.517) 3.521 16.850 ( -0.870 2.730 -2.735) 3.961 ======================= Grid point 44 (19/89) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -7.919 12.575 10.936) 18.451 0.658 ( -13.275 12.861 14.604) 23.556 1.256 ( -20.825 27.178 24.116) 41.880 1.997 ( 4.007 -3.683 -1.506) 5.647 2.077 ( 6.077 -4.436 -3.333) 8.229 2.181 ( 7.290 -0.785 -0.706) 7.366 2.288 ( -3.174 -3.178 -1.303) 4.677 2.422 ( 3.419 -0.959 5.182) 6.282 2.433 ( -2.825 -2.783 6.160) 7.326 2.562 ( 4.052 -0.096 2.156) 4.591 2.604 ( 1.180 1.115 -0.541) 1.712 2.691 ( -1.159 -3.362 0.056) 3.557 2.719 ( 0.315 -4.500 11.359) 12.222 2.823 ( -2.937 1.686 0.166) 3.390 2.853 ( -0.117 3.307 -1.789) 3.761 2.917 ( -0.836 3.013 3.095) 4.400 3.000 ( 0.780 6.669 4.660) 8.173 3.063 ( 2.229 4.111 3.605) 5.904 3.328 ( -2.045 -8.098 -0.886) 8.399 3.484 ( -0.441 -1.429 -4.129) 4.392 3.689 ( 0.612 -5.106 -1.904) 5.484 3.826 ( 0.172 0.066 -2.427) 2.434 3.890 ( 7.299 0.588 -1.036) 7.395 3.957 ( 1.353 -2.091 0.979) 2.676 4.042 ( 1.201 1.181 -1.799) 2.464 4.065 ( 0.664 1.935 -0.996) 2.275 4.147 ( -1.714 -3.020 -0.002) 3.472 4.244 ( -0.815 1.329 -0.191) 1.571 4.310 ( 4.036 5.785 4.431) 8.330 4.354 ( 2.915 1.210 -3.868) 4.993 4.418 ( -5.136 -1.730 -1.171) 5.545 4.478 ( -0.154 -3.281 0.085) 3.286 4.537 ( 0.450 3.429 -0.780) 3.546 4.632 ( -0.968 -2.907 -2.410) 3.898 4.774 ( -1.127 3.090 -5.330) 6.263 4.943 ( 1.407 2.589 -3.497) 4.573 5.019 ( -5.986 -2.637 6.264) 9.057 5.296 ( 0.011 -1.281 -3.020) 3.280 5.550 ( 0.999 -2.498 -1.141) 2.922 5.813 ( -5.125 -3.594 0.455) 6.276 5.904 ( -6.309 2.063 1.792) 6.875 6.046 ( 2.864 -0.807 -2.058) 3.618 11.550 ( -2.401 0.290 0.055) 2.419 11.579 ( -0.128 -1.419 1.207) 1.868 11.878 ( -1.794 -2.740 0.254) 3.284 11.997 ( 3.784 -1.070 7.419) 8.397 12.809 ( 24.010 14.942 -1.685) 28.330 13.756 ( 7.871 -13.124 5.931) 16.412 14.048 ( -0.535 1.179 -1.287) 1.826 14.290 ( -2.124 3.715 -7.183) 8.361 14.370 ( -2.027 18.358 2.160) 18.596 15.538 ( -5.962 -19.027 -7.948) 21.465 16.374 ( -11.549 14.830 -4.813) 19.403 16.800 ( -0.333 1.331 -4.219) 4.437 ======================= Grid point 46 (20/89) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 18.129 -0.000 11.277) 21.350 0.707 ( 14.872 -0.000 14.512) 20.779 1.380 ( 35.050 -0.000 18.373) 39.574 1.936 ( -8.063 0.000 1.985) 8.304 2.085 ( -7.594 0.000 -4.022) 8.593 2.136 ( -6.474 0.000 -0.046) 6.474 2.236 ( 0.422 -0.000 -2.370) 2.408 2.327 ( -1.994 0.000 0.835) 2.162 2.416 ( -1.700 0.000 6.657) 6.871 2.532 ( -0.176 0.000 -1.582) 1.591 2.546 ( -8.350 0.000 5.509) 10.004 2.607 ( 0.096 -0.000 2.311) 2.313 2.681 ( 2.423 -0.000 1.980) 3.130 2.795 ( 1.019 -0.000 1.983) 2.229 2.855 ( -4.346 0.000 1.941) 4.760 2.871 ( -2.151 0.000 1.989) 2.930 2.907 ( -4.283 0.000 3.888) 5.784 3.097 ( 5.497 -0.000 2.043) 5.864 3.545 ( 8.941 -0.000 2.851) 9.385 3.606 ( 2.411 -0.000 -11.474) 11.725 3.761 ( -0.261 0.000 0.385) 0.465 3.836 ( -0.600 0.000 -0.498) 0.780 3.851 ( -0.982 0.000 -0.436) 1.074 3.975 ( 0.867 -0.000 -4.548) 4.630 4.007 ( -6.201 0.000 7.485) 9.720 4.103 ( -1.639 0.000 -1.698) 2.360 4.119 ( 1.723 -0.000 3.358) 3.774 4.171 ( 0.035 -0.000 2.910) 2.910 4.265 ( 0.139 -0.000 1.713) 1.719 4.354 ( -0.871 0.000 -6.434) 6.493 4.473 ( 0.555 -0.000 -0.195) 0.588 4.538 ( -7.299 0.000 -1.081) 7.378 4.589 ( 3.648 -0.000 -1.171) 3.831 4.651 ( 3.103 -0.000 4.364) 5.355 4.774 ( 1.533 -0.000 -0.331) 1.569 4.819 ( -4.746 0.000 0.959) 4.842 5.079 ( -1.420 0.000 -9.566) 9.671 5.384 ( 2.601 -0.000 -5.757) 6.318 5.629 ( -1.479 0.000 3.222) 3.545 5.766 ( -2.207 0.000 1.717) 2.796 5.796 ( 10.801 -0.000 -12.545) 16.554 6.090 ( -0.862 0.000 0.613) 1.057 11.461 ( -2.489 0.000 -1.719) 3.025 11.628 ( 1.468 -0.000 1.637) 2.199 11.772 ( -6.115 0.000 -3.569) 7.081 11.917 ( 0.400 -0.000 -2.968) 2.995 12.501 ( -16.711 0.000 33.999) 37.884 13.868 ( -5.693 0.000 -3.885) 6.892 14.134 ( 1.068 -0.000 8.093) 8.163 14.230 ( -0.930 0.000 -7.579) 7.636 14.459 ( -6.952 0.000 14.814) 16.364 15.566 ( 24.955 -0.000 -38.779) 46.114 16.178 ( 7.322 -0.000 6.511) 9.798 16.810 ( 0.407 -0.000 -2.522) 2.555 ======================= Grid point 47 (21/89) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 16.672 -7.768 4.888) 19.032 1.093 ( 14.971 -16.408 7.317) 23.385 1.733 ( -5.688 9.132 3.937) 11.456 1.860 ( 21.232 -6.282 10.218) 24.386 1.948 ( -9.295 5.720 3.744) 11.538 2.037 ( -1.452 0.764 -3.339) 3.721 2.286 ( -2.046 0.564 3.099) 3.756 2.314 ( 1.575 -2.151 0.845) 2.797 2.417 ( -3.548 1.423 1.850) 4.247 2.449 ( 1.560 -2.311 5.407) 6.084 2.518 ( 2.381 -0.711 -2.065) 3.231 2.648 ( -0.103 -2.970 2.902) 4.153 2.752 ( -0.322 -4.377 1.072) 4.518 2.799 ( -1.761 -0.842 3.826) 4.295 2.839 ( -3.834 -4.661 1.612) 6.247 2.877 ( -0.561 -2.375 0.532) 2.498 2.920 ( 0.627 -3.676 -1.071) 3.880 3.187 ( 4.249 -2.327 -0.162) 4.847 3.552 ( 5.484 11.289 5.320) 13.632 3.588 ( 1.123 4.166 -8.292) 9.348 3.695 ( 2.955 5.855 -3.154) 7.278 3.822 ( -3.454 1.939 3.944) 5.590 3.831 ( -1.602 2.094 2.096) 3.369 3.939 ( -3.356 -4.430 0.482) 5.578 4.019 ( -0.639 -1.014 -0.755) 1.417 4.074 ( -1.381 0.549 -3.962) 4.231 4.131 ( 0.185 -0.123 0.720) 0.754 4.200 ( -1.681 -4.320 4.657) 6.571 4.281 ( -1.994 -0.595 -0.212) 2.091 4.382 ( -1.431 0.534 2.773) 3.166 4.435 ( -4.074 -4.585 -5.999) 8.579 4.488 ( 1.180 -1.144 0.468) 1.709 4.622 ( 3.765 1.518 -1.259) 4.251 4.653 ( -1.217 6.188 0.268) 6.312 4.713 ( 4.109 2.737 1.374) 5.125 4.855 ( 0.699 -2.826 -3.833) 4.814 4.994 ( -7.109 0.897 -1.568) 7.335 5.409 ( 0.258 -0.087 -1.655) 1.677 5.555 ( -4.059 2.847 3.062) 5.827 5.742 ( -1.826 0.174 -0.126) 1.838 5.916 ( 9.468 1.403 -11.027) 14.602 6.069 ( -1.651 0.560 1.017) 2.018 11.457 ( -0.134 -2.681 -1.098) 2.900 11.614 ( -0.948 2.351 -0.876) 2.682 11.716 ( -0.880 -0.927 0.350) 1.325 11.971 ( -1.087 -1.458 -1.260) 2.212 12.496 ( -7.959 -16.154 17.342) 25.001 13.806 ( -6.458 0.341 -8.214) 10.454 13.966 ( -0.752 14.344 7.019) 15.987 14.290 ( -0.019 -11.776 0.992) 11.818 14.658 ( -0.820 -18.831 5.207) 19.555 15.493 ( 9.616 27.302 -18.552) 34.380 16.416 ( 8.197 -10.466 -1.795) 13.415 16.814 ( -0.138 -0.497 -1.306) 1.404 ======================= Grid point 48 (22/89) ======================= q-point: ( 0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.674 0.764 4.184) 7.091 1.453 ( -2.006 1.674 -2.309) 3.487 1.505 ( 7.258 -3.123 5.804) 9.804 1.724 ( -2.359 3.948 5.398) 7.091 2.043 ( -0.066 -2.721 1.214) 2.980 2.161 ( 5.469 -5.331 2.659) 8.087 2.230 ( -0.999 2.278 4.022) 4.729 2.314 ( -0.202 0.741 4.084) 4.156 2.427 ( 0.071 -2.336 0.424) 2.375 2.512 ( 3.487 0.434 6.450) 7.345 2.629 ( -1.153 -8.479 -4.068) 9.475 2.692 ( -1.121 -1.319 0.579) 1.826 2.750 ( -1.299 0.963 3.439) 3.800 2.824 ( -1.996 -1.911 0.822) 2.883 2.861 ( 2.359 1.453 3.975) 4.845 2.956 ( 0.594 -5.797 0.590) 5.857 3.021 ( 3.693 -5.745 -3.355) 7.609 3.233 ( -1.131 -0.415 1.409) 1.853 3.340 ( 0.260 12.004 5.934) 13.393 3.551 ( 5.562 8.283 -1.042) 10.032 3.689 ( 3.399 3.871 1.912) 5.495 3.712 ( -0.277 -0.452 -4.643) 4.673 3.811 ( -2.440 1.389 -0.003) 2.808 3.915 ( -1.525 1.255 -0.027) 1.976 4.037 ( -1.649 -0.352 -3.157) 3.579 4.044 ( -2.153 -1.051 0.822) 2.533 4.111 ( -6.167 -2.743 0.353) 6.759 4.251 ( 1.828 -2.518 0.308) 3.127 4.272 ( -1.519 -2.276 4.220) 5.029 4.337 ( -2.581 0.564 -1.055) 2.845 4.451 ( -1.200 1.232 -1.134) 2.060 4.554 ( 0.808 2.420 -1.726) 3.080 4.589 ( 3.843 -2.543 1.471) 4.837 4.645 ( 1.669 -0.240 -2.546) 3.054 4.705 ( 2.182 2.918 -0.099) 3.645 4.867 ( -2.651 -0.833 -2.160) 3.520 4.973 ( 0.810 -3.630 -2.743) 4.622 5.342 ( -5.971 3.919 5.971) 9.309 5.500 ( -0.611 -0.203 -3.445) 3.505 5.720 ( -1.459 -0.259 -0.051) 1.483 5.986 ( 5.160 1.466 -5.415) 7.623 6.037 ( -0.933 0.940 0.109) 1.329 11.527 ( 0.724 -3.067 -0.309) 3.166 11.588 ( -0.091 -2.240 0.141) 2.246 11.736 ( 0.247 -0.965 2.264) 2.474 11.924 ( -0.141 4.485 1.389) 4.698 12.754 ( -3.536 -22.196 4.030) 22.834 13.619 ( -3.220 11.871 -12.696) 17.677 13.855 ( -2.263 -0.769 6.494) 6.920 14.491 ( -0.904 -12.012 3.348) 12.503 14.958 ( -1.176 -16.495 0.512) 16.545 15.095 ( 7.314 30.079 -7.270) 31.797 16.614 ( 6.021 -1.925 -2.999) 6.996 16.824 ( -2.387 -2.659 -0.098) 3.575 ======================= Grid point 49 (23/89) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.230 16.884 6.890) 18.519 1.233 ( -5.418 17.571 5.960) 19.329 1.719 ( 8.494 -9.524 -3.737) 13.298 1.910 ( 7.256 -8.064 2.960) 11.244 2.060 ( -4.893 1.528 2.950) 5.915 2.182 ( -1.666 0.726 2.261) 2.901 2.254 ( 0.030 -1.150 4.194) 4.349 2.305 ( -0.573 10.031 5.062) 11.251 2.379 ( 0.677 -1.191 5.118) 5.298 2.510 ( -1.583 0.602 5.483) 5.739 2.616 ( -3.650 -0.713 3.083) 4.830 2.699 ( 1.640 1.568 -4.732) 5.248 2.737 ( -2.685 1.077 3.593) 4.613 2.797 ( -1.350 -4.719 2.836) 5.669 2.908 ( 0.682 -3.546 0.037) 3.611 2.993 ( 1.346 2.624 -2.731) 4.019 3.134 ( 1.249 0.261 -1.805) 2.210 3.173 ( -0.383 2.787 -0.676) 2.893 3.347 ( 2.441 -0.329 -0.562) 2.526 3.434 ( 2.032 6.716 4.920) 8.570 3.619 ( -0.710 3.261 3.700) 4.983 3.740 ( 2.527 -2.088 -0.409) 3.304 3.867 ( 2.870 -2.046 -0.956) 3.652 3.921 ( 3.220 -2.226 -2.845) 4.839 3.988 ( -3.817 -0.629 -3.288) 5.077 4.068 ( -0.479 -4.396 2.006) 4.855 4.102 ( -1.112 -0.676 -1.185) 1.760 4.241 ( -6.013 0.574 -0.717) 6.083 4.321 ( 1.903 -2.117 -0.371) 2.870 4.331 ( 0.796 -2.186 1.482) 2.759 4.426 ( 0.743 0.669 0.637) 1.185 4.546 ( -2.114 3.728 2.124) 4.784 4.558 ( 0.143 2.421 -3.461) 4.226 4.651 ( 3.952 3.656 0.980) 5.473 4.765 ( 2.455 -4.132 -4.156) 6.354 4.888 ( -0.773 -4.400 -0.317) 4.479 5.032 ( -0.711 0.496 -0.391) 0.951 5.218 ( -3.650 -0.306 1.355) 3.906 5.506 ( -0.633 -1.044 -2.101) 2.430 5.715 ( -1.585 -1.275 0.412) 2.075 5.972 ( -2.403 1.548 2.516) 3.807 6.042 ( 3.513 1.176 -4.087) 5.517 11.550 ( 1.512 0.154 -0.115) 1.524 11.649 ( -1.218 -0.412 0.124) 1.292 11.751 ( -1.215 -3.350 3.675) 5.119 11.886 ( 2.795 0.289 2.830) 3.988 13.071 ( 0.715 -14.508 -3.203) 14.874 13.429 ( -1.443 3.531 -12.906) 13.458 13.891 ( 0.589 -5.547 3.723) 6.706 14.585 ( -6.237 5.039 0.151) 8.020 14.686 ( 5.516 15.721 0.547) 16.670 15.239 ( 4.326 -11.066 -2.222) 12.088 16.621 ( -0.261 5.618 1.198) 5.750 16.833 ( -2.415 -1.860 -2.474) 3.926 ======================= Grid point 50 (24/89) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 6.897 15.865 12.550) 21.373 0.884 ( 2.433 20.031 9.377) 22.251 1.621 ( -6.422 32.345 12.682) 35.331 1.925 ( 0.131 -7.345 -3.478) 8.128 2.082 ( 4.117 -3.858 -1.070) 5.743 2.169 ( -2.973 -4.233 4.115) 6.609 2.232 ( 0.676 -0.187 3.025) 3.105 2.309 ( -2.496 -5.979 4.943) 8.149 2.457 ( -2.838 0.291 2.643) 3.889 2.476 ( -2.517 -4.592 1.850) 5.554 2.582 ( -0.529 2.798 -0.466) 2.886 2.697 ( -1.795 0.161 5.620) 5.902 2.738 ( 6.722 -0.792 -1.547) 6.943 2.849 ( -0.214 -0.509 6.294) 6.319 2.909 ( -0.426 5.940 -3.378) 6.847 2.980 ( -0.420 6.637 -2.729) 7.189 3.017 ( -0.529 -3.555 -2.059) 4.143 3.179 ( 1.900 6.119 2.973) 7.063 3.263 ( -0.676 0.449 5.109) 5.173 3.460 ( 1.583 -1.368 -1.955) 2.863 3.616 ( -1.205 -3.338 -0.527) 3.588 3.838 ( 2.220 -2.351 0.079) 3.234 3.908 ( -2.213 -0.899 3.345) 4.110 3.945 ( 3.311 -3.099 -2.009) 4.960 4.027 ( -1.483 -3.909 -1.526) 4.451 4.089 ( 0.406 1.246 -1.311) 1.853 4.147 ( -3.065 1.904 -4.857) 6.050 4.215 ( 5.314 -4.603 -0.218) 7.034 4.345 ( 0.557 0.547 0.081) 0.785 4.360 ( -0.628 1.966 1.682) 2.663 4.438 ( -0.867 0.572 0.213) 1.060 4.456 ( 2.642 -1.722 0.918) 3.284 4.545 ( -0.347 0.119 -3.650) 3.669 4.643 ( 1.664 1.743 0.169) 2.415 4.838 ( 3.238 0.438 -6.783) 7.529 4.870 ( -11.280 0.809 8.953) 14.424 5.006 ( 2.875 -1.392 -0.206) 3.201 5.272 ( 3.122 -2.983 -6.949) 8.181 5.520 ( -0.478 -1.906 -0.404) 2.006 5.714 ( -2.074 -1.171 1.444) 2.786 5.901 ( -2.780 2.830 3.522) 5.305 6.067 ( 1.855 -0.045 -2.066) 2.777 11.562 ( -1.093 3.149 -1.583) 3.691 11.578 ( 0.803 1.352 1.366) 2.083 11.790 ( -3.084 -3.364 0.076) 4.564 11.979 ( 1.779 -5.293 7.688) 9.502 13.075 ( -1.892 7.180 -18.171) 19.629 13.613 ( 1.462 -19.393 0.305) 19.450 14.097 ( 12.006 -11.325 -1.208) 16.549 14.274 ( -4.635 13.685 -2.422) 14.651 14.598 ( 1.449 11.159 7.708) 13.640 15.417 ( 0.107 -4.776 -9.663) 10.780 16.421 ( -8.074 11.771 4.718) 15.034 16.820 ( -0.040 1.251 -4.511) 4.681 ======================= Grid point 53 (25/89) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 18.357 -0.000 2.460) 18.521 1.155 ( 16.253 -0.000 6.213) 17.400 1.714 ( -8.012 0.000 6.866) 10.551 1.866 ( -8.761 0.000 4.858) 10.018 2.021 ( -2.110 0.000 -1.395) 2.529 2.082 ( 9.524 -0.000 5.338) 10.918 2.294 ( -1.667 0.000 -1.549) 2.276 2.302 ( 4.958 -0.000 1.229) 5.108 2.384 ( -3.277 0.000 1.320) 3.533 2.469 ( 9.430 -0.000 8.077) 12.416 2.599 ( 5.249 -0.000 1.377) 5.427 2.630 ( 1.719 -0.000 2.176) 2.773 2.665 ( -4.304 0.000 4.622) 6.316 2.720 ( -3.538 0.000 1.016) 3.681 2.788 ( -0.721 0.000 3.214) 3.293 2.840 ( 2.108 -0.000 2.444) 3.228 2.978 ( 6.430 -0.000 -3.355) 7.253 3.206 ( 0.976 -0.000 -1.383) 1.692 3.622 ( -0.233 0.000 -8.622) 8.625 3.741 ( 5.525 -0.000 2.407) 6.026 3.782 ( -4.887 0.000 0.745) 4.944 3.806 ( -1.297 0.000 -2.325) 2.662 3.812 ( -3.280 0.000 3.451) 4.761 3.826 ( 0.264 -0.000 4.827) 4.834 3.967 ( -1.673 0.000 -2.190) 2.756 4.069 ( -0.267 0.000 -4.088) 4.097 4.140 ( -6.151 0.000 -2.392) 6.599 4.168 ( 1.319 -0.000 2.010) 2.404 4.257 ( -0.906 0.000 -0.088) 0.910 4.341 ( -0.143 0.000 0.224) 0.266 4.356 ( -2.195 0.000 4.544) 5.046 4.474 ( -0.110 0.000 0.074) 0.133 4.665 ( 0.900 -0.000 2.625) 2.775 4.733 ( 1.389 -0.000 0.220) 1.406 4.743 ( 0.224 -0.000 -10.518) 10.521 4.858 ( -1.851 0.000 -1.150) 2.179 4.917 ( 0.141 -0.000 0.184) 0.232 5.403 ( -1.303 0.000 1.063) 1.682 5.491 ( -8.108 0.000 6.446) 10.358 5.738 ( 0.485 -0.000 -3.534) 3.567 6.048 ( -2.220 0.000 1.782) 2.847 6.050 ( 8.100 -0.000 -13.748) 15.957 11.440 ( 0.776 -0.000 -0.942) 1.220 11.645 ( -3.109 0.000 -3.138) 4.417 11.669 ( 1.749 -0.000 -0.462) 1.809 11.939 ( 0.893 -0.000 -0.428) 0.991 12.303 ( -3.591 0.000 25.375) 25.628 13.738 ( -4.025 0.000 -4.581) 6.098 14.136 ( -0.746 0.000 5.981) 6.028 14.219 ( 0.368 -0.000 -6.185) 6.196 14.406 ( -0.295 0.000 3.192) 3.206 15.896 ( 6.592 -0.000 -24.347) 25.224 16.352 ( 5.034 -0.000 6.656) 8.345 16.813 ( -0.165 0.000 -0.488) 0.515 ======================= Grid point 54 (26/89) ======================= q-point: ( 0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 14.832 -0.869 1.569) 14.940 1.425 ( 7.731 -8.193 1.923) 11.428 1.561 ( -2.110 4.550 9.316) 10.581 1.736 ( -5.729 4.070 6.273) 9.420 2.004 ( -2.095 -0.924 -0.763) 2.414 2.090 ( -6.416 -2.801 2.178) 7.332 2.275 ( 0.644 2.000 2.314) 3.125 2.346 ( 2.250 -0.215 4.859) 5.359 2.417 ( 3.411 -2.343 -1.707) 4.477 2.507 ( -1.435 2.895 0.809) 3.331 2.572 ( 1.429 0.820 4.729) 5.008 2.659 ( -0.965 -1.967 0.955) 2.390 2.745 ( 0.936 -3.625 0.386) 3.764 2.782 ( 1.777 -1.893 3.000) 3.968 2.859 ( 4.200 -5.877 7.312) 10.279 2.891 ( 3.074 -3.992 1.297) 5.203 3.045 ( 6.309 0.493 -4.123) 7.553 3.201 ( -2.852 -0.688 0.204) 2.941 3.540 ( -1.375 12.038 3.074) 12.500 3.664 ( -3.874 1.392 -2.496) 4.814 3.701 ( -0.469 1.373 0.633) 1.583 3.784 ( -2.484 1.753 -2.645) 4.030 3.818 ( 5.060 1.517 -0.537) 5.310 3.885 ( -0.513 -2.071 0.904) 2.317 3.983 ( -1.731 -4.348 -1.310) 4.859 4.023 ( -4.924 1.940 -1.535) 5.511 4.052 ( 1.219 2.563 -3.260) 4.323 4.211 ( -0.369 -2.940 1.987) 3.568 4.245 ( 0.334 0.161 2.975) 2.998 4.286 ( -3.912 0.182 0.862) 4.010 4.448 ( 2.363 -2.957 -0.234) 3.792 4.520 ( 0.316 -6.812 2.139) 7.146 4.629 ( 0.061 4.442 -1.642) 4.736 4.688 ( 0.484 2.779 -1.276) 3.096 4.778 ( 0.535 0.054 -5.620) 5.645 4.786 ( -4.036 -0.088 -1.341) 4.254 5.000 ( 7.996 -0.218 -1.233) 8.094 5.321 ( -7.399 3.817 5.818) 10.157 5.431 ( -4.337 -3.088 3.629) 6.444 5.741 ( 1.792 1.459 -5.118) 5.615 6.012 ( -2.153 0.836 2.082) 3.110 6.112 ( 5.327 2.399 -9.979) 11.563 11.482 ( 2.007 -3.069 1.053) 3.815 11.598 ( 0.480 1.621 -1.217) 2.083 11.716 ( 0.195 -1.634 -0.211) 1.659 11.965 ( 0.391 -0.176 -0.289) 0.518 12.381 ( -2.909 -14.847 17.145) 22.866 13.660 ( -4.141 4.610 -7.864) 10.012 13.985 ( 1.850 10.496 5.662) 12.069 14.303 ( 0.766 -9.443 -2.333) 9.757 14.621 ( -2.366 -19.315 -0.921) 19.481 15.669 ( 4.751 27.674 -12.126) 30.586 16.556 ( 2.607 -12.209 -0.589) 12.498 16.794 ( -1.060 1.738 0.565) 2.112 ======================= Grid point 55 (27/89) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 2.075 13.957 8.030) 16.235 1.464 ( 1.104 12.140 2.681) 12.481 1.646 ( -1.013 -5.964 0.757) 6.097 1.823 ( 6.677 -11.580 6.872) 15.030 2.002 ( -3.008 -2.466 0.758) 3.963 2.067 ( -6.660 -4.902 -1.094) 8.341 2.263 ( 2.066 1.535 3.220) 4.122 2.350 ( -0.237 0.688 5.996) 6.040 2.444 ( -2.299 1.731 0.020) 2.878 2.531 ( 3.726 -4.852 2.591) 6.644 2.552 ( -0.253 4.616 1.797) 4.960 2.706 ( 0.469 -4.083 -0.329) 4.123 2.762 ( -0.383 2.840 2.873) 4.058 2.777 ( -0.542 -0.167 1.470) 1.575 2.898 ( 0.539 1.781 5.431) 5.741 3.019 ( 3.357 -3.146 -1.653) 4.889 3.138 ( -1.037 1.841 -2.755) 3.472 3.176 ( -0.830 -4.863 0.661) 4.977 3.339 ( -1.216 5.324 0.666) 5.501 3.571 ( -6.799 0.260 5.781) 8.928 3.621 ( -1.353 10.689 -0.264) 10.778 3.784 ( 3.653 -2.938 -3.571) 5.893 3.866 ( 1.248 -0.116 0.528) 1.360 3.901 ( -0.984 -2.041 -3.825) 4.446 3.963 ( -0.873 2.366 2.020) 3.231 4.032 ( 2.480 -2.486 -2.214) 4.151 4.081 ( 4.872 -1.844 -1.264) 5.360 4.182 ( -4.668 1.200 -0.545) 4.850 4.272 ( 0.654 -3.887 4.418) 5.921 4.311 ( 1.034 -3.077 0.359) 3.266 4.460 ( 0.211 2.017 -0.614) 2.119 4.569 ( -1.106 0.632 -0.728) 1.468 4.621 ( -0.732 4.434 -0.642) 4.539 4.684 ( 0.590 -6.975 0.602) 7.026 4.751 ( 0.884 1.881 -1.727) 2.702 4.799 ( 1.245 -2.262 -5.276) 5.874 5.064 ( -0.512 3.780 4.691) 6.047 5.192 ( 0.315 -0.179 -2.483) 2.509 5.437 ( -3.401 -3.113 4.110) 6.177 5.736 ( 2.350 2.173 -5.154) 6.067 5.968 ( -2.061 1.326 2.710) 3.654 6.115 ( 2.342 2.798 -5.642) 6.719 11.575 ( 2.575 -2.809 1.876) 4.248 11.604 ( 1.686 -1.414 1.640) 2.744 11.714 ( -2.203 0.170 0.684) 2.313 11.938 ( 0.414 3.301 1.384) 3.603 12.707 ( -0.169 -25.824 5.509) 26.406 13.470 ( -5.376 9.772 -13.096) 17.202 13.935 ( 5.697 2.047 8.407) 10.360 14.477 ( -0.814 -9.156 -1.959) 9.399 14.881 ( -2.098 -13.216 -5.486) 14.463 15.259 ( 2.458 23.358 -1.971) 23.569 16.713 ( -4.361 3.730 1.059) 5.835 16.746 ( 3.289 -5.539 -2.441) 6.889 ======================= Grid point 56 (28/89) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 7.325 14.267 8.155) 17.992 1.267 ( 8.457 16.097 7.146) 19.537 1.685 ( -9.374 -7.739 -3.259) 12.584 1.941 ( -11.105 -2.999 2.142) 11.701 2.019 ( -1.701 -0.842 4.909) 5.263 2.121 ( 7.481 -2.045 -0.194) 7.758 2.244 ( -3.678 8.788 3.273) 10.073 2.268 ( 1.241 0.511 0.834) 1.580 2.390 ( 0.199 1.247 5.752) 5.889 2.489 ( 1.225 1.665 5.194) 5.590 2.635 ( 2.821 0.268 1.097) 3.039 2.695 ( -0.934 2.574 3.726) 4.624 2.767 ( 1.878 -2.060 0.871) 2.920 2.828 ( 3.098 -4.424 2.580) 5.985 2.931 ( 2.845 -3.573 0.118) 4.569 2.988 ( -3.351 5.235 -2.981) 6.893 3.128 ( 0.077 5.574 -1.137) 5.690 3.153 ( -1.208 -3.214 -1.881) 3.915 3.372 ( -4.881 0.057 1.908) 5.241 3.420 ( 4.464 4.604 -3.289) 7.207 3.513 ( -8.950 -4.493 6.238) 11.798 3.825 ( 0.506 2.910 2.845) 4.101 3.877 ( -3.051 -1.053 -2.214) 3.914 3.905 ( 0.531 -3.529 0.995) 3.705 3.981 ( 3.194 -2.272 -2.615) 4.712 4.092 ( -2.562 -1.275 -0.658) 2.936 4.136 ( 2.118 0.424 -3.442) 4.063 4.201 ( 5.955 -4.334 0.766) 7.405 4.353 ( -0.533 -1.211 0.190) 1.337 4.379 ( 2.510 -4.372 3.846) 6.341 4.433 ( -0.013 0.156 -0.180) 0.239 4.474 ( -0.780 6.280 -0.279) 6.335 4.600 ( 1.075 0.666 -1.065) 1.653 4.679 ( 0.059 3.182 -3.722) 4.897 4.746 ( -9.005 0.603 2.401) 9.339 4.863 ( 2.205 -1.801 -5.206) 5.934 4.980 ( -0.117 -1.346 6.814) 6.946 5.298 ( 7.310 -2.364 -8.819) 11.696 5.448 ( -3.135 -3.645 4.605) 6.657 5.732 ( 2.661 1.977 -3.821) 5.059 5.914 ( -1.975 2.328 3.020) 4.294 6.092 ( 0.106 1.445 -2.205) 2.638 11.602 ( 1.826 1.029 1.264) 2.448 11.629 ( -1.107 3.538 1.046) 3.852 11.710 ( -0.687 -3.221 1.503) 3.621 11.909 ( -1.476 -1.879 3.660) 4.371 13.135 ( 3.990 -9.934 -3.693) 11.324 13.261 ( -6.966 -5.572 -11.690) 14.705 14.054 ( 6.276 -5.888 5.460) 10.191 14.469 ( -1.710 7.180 -7.608) 10.599 14.834 ( 5.289 14.717 6.378) 16.889 15.203 ( -7.786 -12.887 -2.737) 15.303 16.553 ( -2.120 9.201 0.757) 9.472 16.835 ( 1.999 -1.020 -3.088) 3.817 ======================= Grid point 60 (29/89) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.068 -0.000 7.181) 7.473 1.542 ( -0.512 0.000 3.618) 3.654 1.618 ( 10.206 -0.000 4.779) 11.270 1.716 ( -1.569 0.000 5.077) 5.314 1.955 ( -8.211 0.000 2.980) 8.736 1.959 ( -2.880 0.000 -2.092) 3.560 2.324 ( 5.668 -0.000 3.754) 6.799 2.353 ( 0.494 -0.000 0.949) 1.070 2.467 ( 6.288 -0.000 -1.064) 6.377 2.537 ( -4.901 0.000 5.833) 7.619 2.563 ( -3.013 0.000 -0.676) 3.088 2.623 ( -3.996 0.000 1.610) 4.308 2.718 ( 3.543 -0.000 3.441) 4.938 2.810 ( 2.689 -0.000 2.737) 3.837 2.816 ( -1.138 0.000 6.896) 6.989 2.885 ( 0.152 -0.000 2.967) 2.971 3.121 ( 0.909 -0.000 -2.765) 2.911 3.151 ( -0.950 0.000 0.080) 0.953 3.604 ( -5.340 0.000 -4.885) 7.237 3.661 ( 2.001 -0.000 -3.603) 4.121 3.700 ( -1.775 0.000 4.540) 4.875 3.779 ( -2.730 0.000 -3.562) 4.488 3.822 ( 0.938 -0.000 -0.233) 0.966 3.879 ( 0.705 -0.000 2.114) 2.229 3.929 ( -0.360 0.000 -1.639) 1.678 4.000 ( 0.121 -0.000 -1.634) 1.638 4.144 ( 6.484 -0.000 -0.650) 6.516 4.178 ( 0.268 -0.000 0.571) 0.630 4.235 ( -0.394 0.000 -0.682) 0.787 4.317 ( -1.849 0.000 2.852) 3.399 4.351 ( -2.444 0.000 3.979) 4.670 4.482 ( 0.457 -0.000 -1.241) 1.322 4.668 ( -0.479 0.000 0.491) 0.686 4.713 ( 0.976 -0.000 2.469) 2.655 4.763 ( 0.609 -0.000 -12.732) 12.747 4.777 ( -0.060 0.000 -2.030) 2.031 5.120 ( 9.578 -0.000 0.206) 9.580 5.253 ( -10.148 0.000 6.956) 12.303 5.352 ( -1.800 0.000 4.217) 4.585 5.785 ( 2.953 -0.000 -5.773) 6.484 5.991 ( -2.090 0.000 2.373) 3.162 6.187 ( 2.776 -0.000 -10.355) 10.721 11.490 ( 2.922 -0.000 2.199) 3.657 11.626 ( 1.532 -0.000 -0.782) 1.720 11.703 ( 0.284 -0.000 -1.327) 1.357 11.950 ( 0.216 -0.000 0.439) 0.489 12.242 ( -2.087 0.000 20.791) 20.895 13.683 ( 0.218 -0.000 -3.582) 3.589 14.130 ( 0.367 -0.000 4.607) 4.621 14.232 ( 0.564 -0.000 -5.263) 5.293 14.372 ( -2.984 0.000 -3.547) 4.635 16.008 ( 3.696 -0.000 -17.734) 18.115 16.396 ( -2.035 0.000 5.120) 5.509 16.804 ( -0.386 0.000 0.570) 0.689 ======================= Grid point 61 (30/89) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -9.653 -0.414 3.794) 10.380 1.511 ( -6.207 -3.473 6.285) 9.492 1.663 ( 2.884 4.997 3.900) 6.964 1.723 ( 0.132 -0.119 9.438) 9.439 1.921 ( 1.862 -0.134 -2.409) 3.048 2.013 ( 6.617 -4.921 -4.097) 9.208 2.352 ( 2.961 3.434 3.227) 5.566 2.367 ( -3.324 2.667 7.743) 8.838 2.431 ( -0.324 1.523 0.088) 1.559 2.480 ( -6.595 0.063 3.855) 7.639 2.576 ( 4.009 -4.798 0.265) 6.258 2.633 ( -0.148 -4.436 0.779) 4.506 2.753 ( 0.497 -1.006 1.914) 2.219 2.784 ( -2.563 1.396 3.523) 4.574 2.863 ( -2.961 -5.505 5.082) 8.056 2.946 ( -0.915 -8.409 4.480) 9.572 3.090 ( -4.055 -1.153 -1.720) 4.553 3.143 ( 0.757 3.349 -1.278) 3.664 3.505 ( -1.998 8.632 -2.008) 9.085 3.536 ( -2.201 8.286 0.239) 8.577 3.711 ( -1.755 -0.622 -2.298) 2.958 3.769 ( 3.060 0.360 -3.866) 4.943 3.842 ( -2.603 -1.784 -0.004) 3.156 3.885 ( 0.247 0.747 0.430) 0.897 3.959 ( -0.986 -2.901 -2.195) 3.770 4.024 ( 3.661 -0.211 1.050) 3.814 4.184 ( 0.463 2.823 0.199) 2.868 4.211 ( 8.548 2.969 -0.905) 9.094 4.233 ( 0.561 -2.071 3.191) 3.846 4.265 ( 0.489 -2.581 0.960) 2.797 4.429 ( -5.686 -7.015 1.047) 9.091 4.487 ( 0.535 -0.828 -1.213) 1.563 4.642 ( -2.401 1.390 0.549) 2.828 4.719 ( 5.206 3.019 -1.498) 6.202 4.767 ( 0.801 0.123 -2.016) 2.173 4.804 ( 1.523 -1.148 -8.850) 9.053 5.085 ( -7.970 3.931 8.335) 12.184 5.246 ( 8.896 -0.287 -2.216) 9.172 5.356 ( -1.778 -2.077 4.510) 5.274 5.810 ( 3.348 1.852 -5.397) 6.616 5.962 ( -1.601 0.718 2.413) 2.983 6.177 ( -0.254 2.771 -7.375) 7.882 11.547 ( 2.677 -2.539 3.912) 5.378 11.648 ( 3.390 0.971 1.205) 3.727 11.692 ( -2.316 0.584 -0.393) 2.420 11.980 ( 0.394 0.104 1.099) 1.172 12.340 ( -0.111 -16.393 12.967) 20.902 13.609 ( 0.315 10.290 -5.436) 11.642 14.048 ( 2.384 4.929 6.048) 8.159 14.315 ( 0.167 -8.595 -5.070) 9.980 14.539 ( -3.704 -19.265 -4.026) 20.027 15.727 ( -0.247 28.187 -7.585) 29.191 16.546 ( -2.422 -13.074 -2.210) 13.479 16.787 ( 0.525 1.369 0.293) 1.495 ======================= Grid point 62 (31/89) ======================= q-point: (-0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -10.771 -2.970 3.558) 11.726 1.476 ( -8.271 -4.090 2.955) 9.689 1.577 ( 4.522 9.732 1.656) 10.858 1.686 ( -3.657 1.140 5.039) 6.330 2.017 ( 5.616 -3.576 -0.034) 6.658 2.167 ( 4.072 -0.638 0.821) 4.203 2.280 ( 1.528 0.448 2.599) 3.048 2.345 ( 0.695 0.658 5.225) 5.312 2.397 ( -2.984 0.660 2.459) 3.923 2.430 ( -6.629 -3.729 5.707) 9.509 2.698 ( 1.820 -1.519 2.379) 3.358 2.703 ( -0.125 -2.522 -0.484) 2.571 2.738 ( -0.526 -0.877 2.290) 2.508 2.815 ( 2.768 -4.152 2.737) 5.691 2.913 ( 0.740 -2.051 5.212) 5.650 3.021 ( -3.065 3.993 -1.879) 5.373 3.081 ( 0.974 -5.961 1.156) 6.150 3.144 ( -1.496 -5.862 -0.697) 6.090 3.306 ( -0.596 9.788 2.801) 10.198 3.389 ( -5.535 4.840 -2.760) 7.853 3.610 ( 0.276 7.014 -2.310) 7.389 3.804 ( -3.084 -0.377 -1.270) 3.357 3.848 ( -1.158 -0.791 -1.771) 2.259 3.898 ( 2.632 -0.775 -0.472) 2.784 3.983 ( 0.740 -1.934 -0.940) 2.274 4.064 ( 0.943 -0.382 1.205) 1.577 4.149 ( 0.906 0.603 -1.195) 1.617 4.252 ( 3.683 0.951 3.147) 4.937 4.308 ( -0.268 -2.841 -0.326) 2.872 4.350 ( 3.042 -2.812 1.594) 4.439 4.440 ( 0.204 -1.859 0.283) 1.892 4.497 ( -2.939 -0.551 -1.247) 3.240 4.587 ( -1.418 0.881 0.276) 1.692 4.710 ( -2.572 4.286 -0.556) 5.029 4.747 ( 0.996 3.041 -3.978) 5.106 4.837 ( 0.722 -2.216 -4.769) 5.308 4.998 ( 1.683 0.520 4.526) 4.857 5.354 ( -0.219 -2.146 3.316) 3.955 5.368 ( 4.729 -0.589 -2.866) 5.561 5.810 ( 2.643 2.729 -3.673) 5.284 5.929 ( -0.440 1.593 1.379) 2.153 6.109 ( -2.646 2.386 -2.762) 4.508 11.612 ( -1.762 0.341 1.215) 2.168 11.649 ( -0.660 -2.498 1.468) 2.971 11.687 ( 4.716 0.574 4.427) 6.494 11.916 ( -2.076 4.808 3.182) 6.128 12.771 ( 5.342 -28.577 -0.621) 29.079 13.389 ( -0.652 14.700 -7.186) 16.375 14.060 ( 2.777 -1.034 5.400) 6.159 14.443 ( -1.249 -5.747 -6.572) 8.820 14.835 ( -3.787 -19.818 -2.345) 20.312 15.227 ( -2.136 26.675 1.792) 26.820 16.614 ( -2.118 0.818 -2.676) 3.509 16.827 ( 2.364 -3.318 -1.365) 4.297 ======================= Grid point 67 (32/89) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -15.188 0.000 8.349) 17.331 1.237 ( -20.499 0.000 2.904) 20.703 1.779 ( 6.618 -0.000 1.609) 6.811 1.788 ( 4.564 -0.000 9.645) 10.670 1.988 ( 4.161 -0.000 -2.063) 4.644 2.056 ( 4.058 -0.000 -6.628) 7.772 2.213 ( -15.462 0.000 11.781) 19.439 2.417 ( -4.087 0.000 5.168) 6.589 2.425 ( -0.568 0.000 0.317) 0.650 2.499 ( 4.653 -0.000 3.520) 5.834 2.516 ( -0.096 0.000 3.036) 3.038 2.639 ( 6.808 -0.000 -0.901) 6.867 2.734 ( -2.564 0.000 3.755) 4.547 2.740 ( -2.970 0.000 6.236) 6.907 2.797 ( 0.233 -0.000 2.664) 2.675 2.863 ( 0.998 -0.000 4.498) 4.608 3.023 ( -4.479 0.000 -0.526) 4.510 3.189 ( -1.420 0.000 -0.864) 1.662 3.517 ( -1.949 0.000 -8.418) 8.641 3.654 ( 1.699 -0.000 -0.224) 1.714 3.664 ( -5.419 0.000 -2.619) 6.019 3.797 ( -2.334 0.000 -2.294) 3.272 3.808 ( 4.335 -0.000 0.077) 4.336 3.903 ( 1.126 -0.000 2.259) 2.524 3.928 ( 0.807 -0.000 -2.885) 2.995 4.068 ( 2.024 -0.000 0.203) 2.034 4.208 ( 0.735 -0.000 2.597) 2.699 4.241 ( -3.407 0.000 2.127) 4.016 4.249 ( 0.910 -0.000 -1.222) 1.524 4.261 ( -1.348 0.000 0.117) 1.354 4.376 ( 9.329 -0.000 -0.426) 9.338 4.483 ( -0.311 0.000 -1.197) 1.236 4.610 ( -3.527 0.000 0.596) 3.577 4.778 ( -0.040 0.000 -1.284) 1.284 4.801 ( 2.823 -0.000 -13.725) 14.012 4.828 ( 3.405 -0.000 -0.363) 3.424 5.018 ( -5.316 0.000 10.513) 11.781 5.328 ( -0.535 0.000 3.261) 3.305 5.364 ( 8.769 -0.000 -1.042) 8.830 5.866 ( 2.614 -0.000 -3.150) 4.093 5.955 ( -0.184 0.000 1.210) 1.224 6.181 ( -3.015 0.000 -8.299) 8.830 11.566 ( 2.245 -0.000 4.246) 4.803 11.666 ( -2.707 0.000 -0.400) 2.737 11.712 ( 5.172 -0.000 2.832) 5.897 11.962 ( 0.568 -0.000 -1.046) 1.191 12.213 ( -0.099 0.000 19.981) 19.981 13.755 ( 5.229 -0.000 0.326) 5.239 14.145 ( 0.237 -0.000 4.277) 4.284 14.242 ( 0.371 -0.000 -6.677) 6.687 14.247 ( -6.470 0.000 -5.428) 8.445 16.094 ( 3.293 -0.000 -15.907) 16.244 16.266 ( -7.374 0.000 3.355) 8.102 16.797 ( -0.147 0.000 -0.758) 0.773 ======================= Grid point 68 (33/89) ======================= q-point: (-0.17 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -20.884 -4.376 3.057) 21.556 1.116 ( -20.148 -9.552 6.419) 23.203 1.815 ( 8.111 7.723 0.269) 11.203 1.823 ( 1.486 -0.104 7.311) 7.461 1.922 ( -16.856 -8.924 10.689) 21.864 2.052 ( 3.426 -1.657 -2.499) 4.553 2.280 ( 8.137 -1.393 1.754) 8.440 2.347 ( -1.139 2.255 4.229) 4.926 2.411 ( 1.780 2.649 2.277) 3.921 2.479 ( 0.476 5.039 4.881) 7.032 2.579 ( 0.077 -6.899 -0.928) 6.961 2.698 ( -0.669 0.091 5.953) 5.991 2.725 ( -1.016 0.319 2.505) 2.721 2.780 ( 3.321 -3.350 3.511) 5.880 2.847 ( 1.353 -6.425 -0.645) 6.597 2.958 ( 1.893 -7.277 5.051) 9.058 2.995 ( 0.000 -1.600 1.980) 2.545 3.119 ( -6.137 1.042 -2.256) 6.622 3.428 ( -4.356 7.069 -6.904) 10.799 3.514 ( -0.786 8.848 0.671) 8.908 3.663 ( 0.421 3.092 -1.476) 3.452 3.786 ( -0.284 -0.711 -0.203) 0.792 3.838 ( 0.004 0.572 -5.007) 5.039 3.920 ( 1.752 -0.279 1.900) 2.600 3.958 ( 2.963 -1.600 -4.296) 5.458 4.076 ( -0.075 -0.123 1.911) 1.916 4.177 ( -0.493 2.043 1.033) 2.341 4.254 ( 0.435 -3.466 2.731) 4.434 4.285 ( 1.061 -1.102 -0.368) 1.573 4.310 ( -2.164 -5.668 0.559) 6.093 4.420 ( 3.978 2.541 -1.270) 4.888 4.492 ( 0.037 0.243 -2.256) 2.270 4.579 ( -1.614 -0.198 0.259) 1.647 4.741 ( -6.051 4.856 -1.259) 7.860 4.787 ( 0.210 0.456 -0.675) 0.841 4.852 ( 4.362 -0.401 -10.686) 11.549 5.020 ( 2.947 -0.238 7.724) 8.270 5.320 ( -1.311 0.158 2.817) 3.111 5.456 ( 6.417 0.895 -1.899) 6.752 5.867 ( -0.061 1.789 0.272) 1.811 5.963 ( 2.584 0.977 -1.669) 3.227 6.096 ( -5.866 2.607 -5.091) 8.193 11.585 ( -0.236 -1.088 2.377) 2.625 11.619 ( -2.610 1.292 0.499) 2.955 11.778 ( 6.684 1.141 5.400) 8.669 11.969 ( -1.140 2.774 4.132) 5.106 12.417 ( 6.911 -22.425 7.447) 24.619 13.657 ( 2.867 15.603 -0.748) 15.882 14.079 ( -0.385 1.027 3.516) 3.684 14.311 ( -0.223 -7.489 -6.265) 9.767 14.447 ( -3.382 -21.152 -2.434) 21.558 15.657 ( -4.383 30.619 -4.690) 31.284 16.493 ( -1.473 -13.739 -5.062) 14.716 16.802 ( 0.403 -1.354 -2.010) 2.457 ======================= Grid point 74 (34/89) ======================= q-point: (-0.17 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -24.343 0.000 2.559) 24.477 0.776 ( -18.922 0.000 13.077) 23.001 1.378 ( -32.360 0.000 23.577) 40.038 1.956 ( 5.959 -0.000 2.883) 6.620 2.035 ( 11.584 -0.000 -2.639) 11.881 2.093 ( 4.301 -0.000 -3.665) 5.650 2.325 ( -0.054 0.000 -1.622) 1.623 2.386 ( 4.819 -0.000 4.414) 6.535 2.477 ( 4.219 -0.000 0.386) 4.237 2.487 ( -3.002 0.000 7.789) 8.348 2.568 ( 3.277 -0.000 2.473) 4.106 2.732 ( 5.014 -0.000 11.563) 12.603 2.753 ( -1.483 0.000 2.199) 2.652 2.775 ( 2.586 -0.000 -4.013) 4.774 2.793 ( 4.480 -0.000 5.505) 7.098 2.923 ( 1.557 -0.000 5.239) 5.466 2.988 ( -12.872 0.000 -2.255) 13.068 2.996 ( 1.968 -0.000 4.073) 4.523 3.465 ( -1.648 0.000 -9.600) 9.740 3.511 ( -6.278 0.000 0.544) 6.302 3.747 ( 4.433 -0.000 -2.747) 5.215 3.769 ( 0.830 -0.000 -4.275) 4.355 3.853 ( 0.524 -0.000 0.377) 0.646 3.958 ( 0.951 -0.000 -4.115) 4.223 3.986 ( 5.529 -0.000 3.810) 6.715 4.067 ( -0.602 0.000 0.503) 0.785 4.182 ( -3.068 0.000 3.106) 4.365 4.199 ( -0.900 0.000 1.204) 1.503 4.227 ( 0.985 -0.000 0.925) 1.352 4.313 ( 2.274 -0.000 -3.550) 4.216 4.464 ( -1.333 0.000 -2.975) 3.260 4.527 ( 1.375 -0.000 -1.118) 1.772 4.540 ( -1.273 0.000 1.396) 1.889 4.694 ( -6.939 0.000 -2.667) 7.434 4.787 ( -1.603 0.000 -1.757) 2.378 4.884 ( 3.263 -0.000 -8.845) 9.428 5.072 ( 2.145 -0.000 6.902) 7.228 5.310 ( -0.809 0.000 -0.085) 0.814 5.540 ( 4.591 -0.000 -1.332) 4.781 5.869 ( -1.415 0.000 2.687) 3.036 6.013 ( 3.469 -0.000 -2.268) 4.145 6.028 ( -9.230 0.000 -8.920) 12.836 11.586 ( -0.588 0.000 3.079) 3.135 11.603 ( -1.610 0.000 0.564) 1.706 11.878 ( 6.227 -0.000 4.837) 7.885 11.962 ( -0.722 0.000 -2.536) 2.636 12.328 ( 13.800 -0.000 29.154) 32.255 13.917 ( 6.488 -0.000 4.363) 7.819 14.065 ( -7.274 0.000 -4.753) 8.689 14.122 ( -2.290 0.000 3.173) 3.913 14.249 ( 0.353 -0.000 -7.741) 7.749 16.086 ( -5.494 0.000 2.838) 6.183 16.116 ( -4.536 0.000 -22.251) 22.709 16.794 ( -0.166 0.000 -3.057) 3.062 ======================= Grid point 75 (35/89) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -2.142 0.000 21.445) 21.552 0.871 ( 13.824 -0.000 21.346) 25.431 1.456 ( -7.323 0.000 32.900) 33.705 2.029 ( 0.451 -0.000 -5.358) 5.377 2.032 ( -2.738 0.000 -2.951) 4.026 2.144 ( 0.541 -0.000 -4.023) 4.059 2.224 ( 3.143 -0.000 -7.344) 7.988 2.466 ( -10.261 0.000 -3.586) 10.870 2.493 ( 3.175 -0.000 -5.534) 6.380 2.530 ( -4.533 0.000 4.898) 6.673 2.584 ( 1.757 -0.000 4.936) 5.240 2.694 ( -1.262 0.000 3.754) 3.960 2.776 ( 0.141 -0.000 1.823) 1.829 2.803 ( 0.783 -0.000 1.286) 1.505 2.946 ( -4.350 0.000 -1.563) 4.622 3.018 ( -0.601 0.000 5.008) 5.044 3.114 ( 3.045 -0.000 7.633) 8.218 3.247 ( 4.081 -0.000 3.026) 5.080 3.340 ( 0.357 -0.000 -0.603) 0.701 3.434 ( 0.810 -0.000 0.977) 1.269 3.712 ( 1.139 -0.000 -2.811) 3.033 3.738 ( 3.597 -0.000 -5.922) 6.929 3.853 ( -2.743 0.000 -4.808) 5.536 3.860 ( 0.014 -0.000 -5.785) 5.785 4.059 ( -0.719 0.000 -0.997) 1.229 4.178 ( -0.462 0.000 1.277) 1.358 4.195 ( 0.637 -0.000 2.342) 2.427 4.228 ( -2.902 0.000 -2.348) 3.733 4.290 ( 0.821 -0.000 2.455) 2.589 4.298 ( -3.992 0.000 0.463) 4.019 4.411 ( 2.226 -0.000 -1.705) 2.804 4.467 ( 11.516 -0.000 1.210) 11.579 4.530 ( 1.475 -0.000 -2.848) 3.207 4.566 ( 0.406 -0.000 0.915) 1.001 4.705 ( 0.393 -0.000 -1.995) 2.033 4.797 ( 6.010 -0.000 -11.860) 13.296 5.146 ( -11.715 0.000 13.075) 17.556 5.263 ( -3.605 0.000 1.289) 3.829 5.541 ( 0.756 -0.000 -1.240) 1.453 5.865 ( -1.831 0.000 5.860) 6.139 5.878 ( -0.924 0.000 1.335) 1.624 6.058 ( 1.976 -0.000 -1.301) 2.366 11.559 ( -4.569 0.000 1.138) 4.709 11.639 ( 1.416 -0.000 2.484) 2.859 11.848 ( -0.475 0.000 -4.450) 4.476 11.882 ( -5.606 0.000 -1.670) 5.850 13.192 ( 1.786 -0.000 5.664) 5.939 13.925 ( -6.162 0.000 -5.778) 8.447 14.057 ( -0.093 0.000 -9.082) 9.082 14.104 ( 23.481 -0.000 -4.852) 23.977 14.334 ( 3.021 -0.000 14.500) 14.811 15.269 ( -21.773 0.000 -5.635) 22.490 16.149 ( 3.407 -0.000 6.213) 7.085 16.695 ( 0.321 -0.000 -6.412) 6.420 ======================= Grid point 76 (36/89) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 4.263 -7.229 19.645) 21.363 1.100 ( 10.066 -8.607 17.651) 22.068 1.615 ( 8.683 -12.547 23.184) 27.754 1.977 ( 0.563 2.225 0.798) 2.430 2.029 ( -5.932 -0.618 -4.862) 7.695 2.127 ( -5.065 -0.296 -5.900) 7.782 2.209 ( 0.899 0.070 -3.147) 3.274 2.381 ( -1.579 -0.318 -3.297) 3.670 2.486 ( -0.638 0.303 3.085) 3.164 2.536 ( -2.568 0.840 -0.884) 2.842 2.562 ( -1.455 2.846 5.668) 6.507 2.710 ( 3.367 -3.480 1.906) 5.204 2.783 ( -1.943 -1.662 2.919) 3.881 2.841 ( 1.076 -3.263 1.041) 3.590 2.875 ( -3.646 1.903 -0.278) 4.122 2.983 ( -1.642 0.628 3.288) 3.729 3.117 ( -0.984 3.230 5.360) 6.335 3.207 ( -1.818 0.727 2.810) 3.425 3.375 ( -1.278 -5.056 1.201) 5.351 3.467 ( 5.781 3.086 2.498) 7.013 3.655 ( -0.403 6.538 -2.926) 7.174 3.783 ( 1.999 -2.055 -3.203) 4.299 3.882 ( 0.675 -1.186 -5.593) 5.757 3.908 ( -0.452 -5.665 -7.105) 9.099 4.012 ( -0.762 1.528 -2.324) 2.884 4.106 ( 0.133 5.378 4.528) 7.031 4.148 ( -0.765 4.039 2.255) 4.689 4.247 ( -1.082 -3.084 -4.398) 5.479 4.306 ( 1.418 -3.175 2.164) 4.096 4.337 ( -0.594 -4.325 1.362) 4.573 4.417 ( 0.659 1.848 -0.656) 2.069 4.477 ( 1.636 4.024 -0.652) 4.392 4.616 ( 0.445 -2.679 -0.348) 2.738 4.665 ( 0.898 2.892 -1.990) 3.623 4.684 ( 8.191 0.327 -4.621) 9.410 4.912 ( 3.166 -3.753 -8.281) 9.627 4.989 ( -8.144 0.351 11.190) 13.845 5.220 ( -2.274 0.558 -1.362) 2.708 5.537 ( 1.397 1.573 -1.061) 2.356 5.807 ( -1.730 2.950 5.491) 6.469 5.889 ( -2.034 -2.269 3.061) 4.319 6.063 ( 1.044 1.417 -2.073) 2.719 11.502 ( -2.645 -1.637 2.436) 3.951 11.653 ( 0.102 0.475 2.365) 2.415 11.763 ( -3.040 2.080 -0.619) 3.735 11.966 ( -2.843 -9.108 -4.615) 10.599 12.981 ( -4.375 12.077 9.103) 15.744 13.768 ( -5.293 11.183 -9.934) 15.868 14.025 ( -3.776 0.250 -5.748) 6.881 14.364 ( 18.354 4.633 -6.563) 20.036 14.564 ( 5.523 -13.892 7.863) 16.891 15.123 ( -12.074 -10.691 -1.686) 16.215 16.280 ( 3.486 -7.233 5.013) 9.466 16.712 ( 1.786 -0.896 -6.007) 6.330 ======================= Grid point 77 (37/89) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 7.190 -10.580 12.166) 17.653 1.394 ( 8.769 -10.977 10.820) 17.733 1.675 ( -5.523 9.762 2.749) 11.548 1.911 ( -6.134 4.772 -0.166) 7.774 2.063 ( -0.761 -3.845 1.960) 4.382 2.171 ( 1.977 -10.027 11.337) 15.263 2.252 ( 7.186 -0.802 -2.075) 7.523 2.341 ( 0.388 6.358 -0.125) 6.371 2.448 ( -3.612 -3.651 -2.943) 5.919 2.547 ( 2.450 -6.946 6.285) 9.682 2.574 ( -0.613 -1.877 3.820) 4.301 2.763 ( -1.573 0.829 1.936) 2.629 2.789 ( -0.635 -0.083 -0.783) 1.011 2.837 ( 0.497 -2.816 0.712) 2.947 2.931 ( 0.412 -5.266 -0.292) 5.290 2.967 ( 0.697 2.034 0.417) 2.190 3.059 ( -1.013 0.347 5.025) 5.138 3.216 ( 0.786 -2.922 0.551) 3.076 3.424 ( -0.271 0.200 5.607) 5.617 3.471 ( 2.918 3.791 -0.388) 4.800 3.525 ( -3.586 4.687 1.046) 5.994 3.817 ( -1.725 1.877 -3.240) 4.123 3.878 ( 0.309 -1.070 -1.852) 2.161 3.959 ( 0.062 1.589 -3.388) 3.743 3.998 ( 0.101 1.479 -0.045) 1.484 4.013 ( -1.158 1.735 0.439) 2.131 4.122 ( 2.746 0.183 -1.748) 3.260 4.274 ( 0.051 -1.420 -4.084) 4.324 4.339 ( -2.609 2.242 1.084) 3.607 4.391 ( 2.268 -2.603 0.731) 3.529 4.427 ( -0.912 -2.568 -2.127) 3.457 4.473 ( 2.236 -1.544 -0.548) 2.772 4.577 ( 1.918 6.802 1.417) 7.208 4.641 ( -2.773 -1.519 0.774) 3.255 4.735 ( -0.980 0.399 0.897) 1.388 4.824 ( -3.642 2.292 2.236) 4.850 5.065 ( -0.209 -4.641 1.399) 4.852 5.200 ( 3.276 0.881 -8.377) 9.037 5.529 ( 1.777 2.689 -0.133) 3.226 5.741 ( -0.474 2.579 2.381) 3.542 5.903 ( -2.181 -2.716 2.901) 4.534 6.048 ( 0.231 1.115 -2.739) 2.967 11.561 ( -1.627 -5.511 2.855) 6.416 11.615 ( -1.523 -0.991 1.237) 2.198 11.762 ( 2.266 -1.464 2.916) 3.973 12.004 ( -4.113 -0.131 -0.008) 4.115 12.875 ( 0.599 -2.967 3.955) 4.981 13.440 ( -3.072 20.035 -12.715) 23.927 13.986 ( -6.672 -3.670 -3.994) 8.599 14.467 ( 13.713 7.772 -6.468) 17.038 14.825 ( 2.251 -12.569 7.101) 14.611 15.138 ( -9.610 -4.880 -0.061) 10.778 16.428 ( 2.732 -5.062 0.353) 5.763 16.775 ( 2.924 -2.717 -3.788) 5.503 ======================= Grid point 78 (38/89) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -8.849 9.238 8.549) 15.387 1.454 ( 5.859 -6.626 1.305) 8.941 1.615 ( -3.266 0.649 9.444) 10.013 1.732 ( 1.971 1.053 3.965) 4.551 2.088 ( 1.578 -1.600 0.964) 2.445 2.262 ( -0.762 0.589 -1.008) 1.394 2.305 ( 6.304 0.195 -1.559) 6.497 2.379 ( 1.041 -2.319 5.125) 5.720 2.465 ( -1.096 -1.276 0.689) 1.818 2.588 ( -2.340 -0.645 5.301) 5.830 2.693 ( 1.759 -1.889 -4.013) 4.771 2.714 ( -2.170 0.284 5.019) 5.475 2.847 ( 0.046 -3.048 3.214) 4.429 2.865 ( 0.788 -1.825 0.765) 2.130 2.909 ( -2.098 0.093 1.872) 2.813 3.021 ( 0.866 -3.005 -3.229) 4.495 3.090 ( -0.532 0.407 6.495) 6.529 3.224 ( -0.309 4.048 4.934) 6.390 3.369 ( 2.026 3.416 4.559) 6.046 3.422 ( -0.720 2.980 3.808) 4.889 3.487 ( 3.333 -2.291 -2.300) 4.653 3.740 ( -2.548 2.076 -3.041) 4.477 3.857 ( -2.811 2.427 2.233) 4.333 3.904 ( -1.147 -0.482 -0.539) 1.355 3.983 ( 0.025 1.934 -1.627) 2.527 4.050 ( 1.248 -3.026 -1.873) 3.771 4.150 ( 3.160 1.500 -2.719) 4.430 4.268 ( -2.288 0.420 -1.227) 2.630 4.306 ( 0.605 -1.531 -1.390) 2.155 4.423 ( -1.917 -0.097 -1.125) 2.225 4.432 ( -0.783 -0.647 2.538) 2.734 4.530 ( 0.472 0.553 0.333) 0.799 4.538 ( 2.170 -1.270 -7.827) 8.221 4.609 ( -2.874 -0.200 2.771) 3.998 4.666 ( -1.150 4.665 3.192) 5.768 4.792 ( -0.329 0.890 -3.511) 3.637 5.112 ( -0.965 -4.055 6.604) 7.809 5.291 ( 5.855 -3.348 -8.732) 11.033 5.468 ( -2.812 3.408 5.542) 7.088 5.741 ( 3.119 -0.335 -3.552) 4.739 5.922 ( -1.354 -2.376 2.227) 3.527 6.030 ( -0.832 0.811 -2.655) 2.898 11.549 ( -2.185 -1.052 -0.105) 2.427 11.709 ( 0.960 -2.273 4.087) 4.774 11.856 ( 0.978 -7.999 5.662) 9.849 11.912 ( -0.980 3.971 4.010) 5.728 12.983 ( -1.183 5.560 -6.544) 8.668 13.156 ( 5.270 0.706 -7.639) 9.307 13.968 ( -6.904 -4.619 -4.376) 9.389 14.443 ( 6.911 11.079 -6.529) 14.600 14.981 ( -10.263 -5.424 9.722) 15.141 15.093 ( 4.935 -0.935 0.045) 5.023 16.509 ( 1.688 -1.626 -3.465) 4.183 16.831 ( 0.945 0.139 -2.822) 2.979 ======================= Grid point 79 (39/89) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -8.114 12.195 12.429) 19.210 1.300 ( -10.442 12.078 13.258) 20.753 1.741 ( 5.321 -10.726 1.241) 12.038 1.882 ( 7.429 -3.249 -1.498) 8.245 2.122 ( 2.935 2.795 0.263) 4.062 2.212 ( -7.994 11.130 8.244) 15.993 2.275 ( -4.425 -1.562 -1.755) 5.010 2.395 ( 5.639 -0.746 -3.597) 6.730 2.506 ( 1.082 0.488 0.335) 1.233 2.543 ( 0.532 1.525 10.213) 10.340 2.646 ( -0.561 1.061 5.087) 5.227 2.734 ( -2.532 -2.456 0.941) 3.651 2.822 ( -3.680 -1.794 -0.782) 4.168 2.899 ( 1.146 3.328 0.893) 3.632 2.929 ( 0.035 2.787 6.726) 7.281 2.985 ( -1.912 -5.340 -2.219) 6.091 3.047 ( -3.271 2.744 1.477) 4.517 3.164 ( 1.167 3.899 2.981) 5.045 3.339 ( 1.704 2.095 5.419) 6.055 3.435 ( 2.080 0.830 0.635) 2.328 3.613 ( 1.780 -5.276 1.451) 5.754 3.718 ( 1.324 -1.162 -4.832) 5.143 3.804 ( 1.090 0.901 -1.764) 2.261 3.917 ( 0.698 1.689 -2.606) 3.182 3.968 ( 1.628 -2.857 2.325) 4.027 4.115 ( 0.542 -1.345 0.287) 1.478 4.125 ( -3.071 0.600 0.413) 3.156 4.249 ( -0.193 -0.093 -2.455) 2.464 4.353 ( 0.315 -1.940 -0.094) 1.968 4.385 ( -2.300 -0.220 -0.986) 2.512 4.421 ( 0.858 1.989 2.749) 3.500 4.510 ( -0.750 6.875 0.542) 6.937 4.543 ( 0.293 -1.146 -2.307) 2.593 4.596 ( -1.326 0.348 -0.523) 1.467 4.622 ( 1.423 -2.266 -9.804) 10.163 4.771 ( 0.275 1.576 -4.217) 4.510 5.187 ( -0.275 -5.194 7.670) 9.267 5.372 ( -3.778 0.921 4.551) 5.986 5.426 ( 3.601 -3.133 -2.159) 5.239 5.800 ( 1.603 -2.315 -2.434) 3.722 5.952 ( 0.529 -2.016 0.518) 2.148 5.994 ( -1.694 1.531 -1.546) 2.758 11.564 ( -0.015 -1.968 0.704) 2.091 11.659 ( -2.763 3.725 3.600) 5.872 11.874 ( -1.805 -1.938 1.252) 2.929 12.045 ( 4.046 -5.304 7.507) 10.043 12.752 ( 3.427 11.306 -7.698) 14.100 13.463 ( 7.301 -17.526 -1.184) 19.023 13.962 ( -5.168 -4.290 -5.319) 8.567 14.298 ( -0.555 10.419 -5.668) 11.873 14.807 ( -2.847 13.067 9.321) 16.301 15.239 ( 1.640 -8.424 -2.681) 8.991 16.512 ( 0.198 4.121 -4.473) 6.085 16.777 ( -2.527 4.272 -4.002) 6.376 ======================= Grid point 80 (40/89) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 3.111 8.556 19.324) 21.361 0.997 ( -8.616 8.886 18.648) 22.382 1.749 ( -15.013 14.101 22.839) 30.755 1.935 ( 2.058 -6.715 -3.068) 7.665 2.062 ( 5.607 -1.687 1.113) 5.960 2.135 ( 5.963 2.599 -3.090) 7.201 2.205 ( -5.871 2.810 -5.663) 8.628 2.456 ( 6.511 2.273 -6.449) 9.442 2.508 ( -3.280 -4.418 0.159) 5.505 2.571 ( 1.432 0.321 6.250) 6.420 2.635 ( -6.226 0.249 1.926) 6.522 2.702 ( -4.320 -2.622 2.126) 5.482 2.793 ( -1.242 2.437 0.550) 2.790 2.830 ( 0.205 3.564 -0.012) 3.570 2.957 ( 0.602 -2.356 4.802) 5.383 2.985 ( 0.811 -0.500 3.770) 3.888 3.087 ( 1.566 -6.210 0.492) 6.423 3.122 ( 4.052 3.464 6.479) 8.390 3.343 ( 3.758 2.955 4.797) 6.772 3.449 ( -2.245 -1.938 -1.508) 3.327 3.647 ( 0.287 -1.977 -1.964) 2.801 3.740 ( 1.575 1.456 -5.233) 5.656 3.866 ( 0.930 -0.827 -5.818) 5.949 3.910 ( 2.658 2.445 -0.049) 3.612 3.999 ( 0.391 -1.337 -2.501) 2.863 4.114 ( 0.233 -4.511 5.621) 7.211 4.164 ( -0.720 -3.260 0.586) 3.390 4.252 ( -0.313 -0.634 0.372) 0.799 4.302 ( -0.507 5.078 -0.596) 5.138 4.370 ( -0.754 3.746 0.458) 3.848 4.415 ( 3.470 1.902 1.154) 4.122 4.460 ( 1.155 -3.292 -1.823) 3.936 4.505 ( -5.619 3.036 -3.025) 7.067 4.586 ( 2.051 1.145 -1.916) 3.031 4.686 ( -1.338 -3.316 -4.846) 6.022 4.753 ( 4.876 3.261 -9.933) 11.535 5.236 ( -5.597 -3.519 11.085) 12.907 5.308 ( -3.991 0.127 3.471) 5.291 5.508 ( 2.285 -1.750 -2.377) 3.733 5.843 ( -1.057 -2.775 1.564) 3.356 5.930 ( -1.878 2.327 0.641) 3.058 6.012 ( 2.504 -1.690 -0.773) 3.118 11.575 ( -2.266 -0.931 1.997) 3.161 11.620 ( 0.264 -1.272 2.851) 3.133 11.872 ( -3.626 -1.237 -1.147) 3.999 12.021 ( -0.408 8.964 -3.457) 9.616 12.881 ( 12.685 -12.942 7.998) 19.809 13.811 ( 5.138 -13.475 -1.651) 14.516 13.980 ( -0.067 -1.898 -5.623) 5.935 14.127 ( -2.796 6.383 -6.212) 9.335 14.512 ( 1.853 20.747 10.264) 23.222 15.380 ( -6.755 -10.467 -8.328) 14.985 16.313 ( -4.009 15.356 -0.783) 15.890 16.704 ( -1.284 0.720 -5.418) 5.614 ======================= Grid point 82 (41/89) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 11.706 -0.000 18.252) 21.683 1.086 ( 5.248 -0.000 21.285) 21.922 1.762 ( 23.828 -0.000 18.182) 29.973 1.950 ( -2.708 0.000 -0.142) 2.712 1.978 ( -4.623 0.000 -6.553) 8.019 2.114 ( -3.232 0.000 -2.651) 4.180 2.186 ( 2.148 -0.000 -0.480) 2.201 2.325 ( -3.506 0.000 -1.968) 4.020 2.497 ( -1.828 0.000 -0.396) 1.870 2.524 ( 0.968 -0.000 1.120) 1.481 2.596 ( -2.287 0.000 4.870) 5.381 2.684 ( 0.194 -0.000 4.921) 4.925 2.764 ( 0.419 -0.000 3.555) 3.580 2.837 ( 1.332 -0.000 1.773) 2.218 2.852 ( -1.368 0.000 -1.212) 1.828 2.920 ( -5.084 0.000 4.634) 6.879 3.105 ( -9.655 0.000 11.837) 15.275 3.127 ( -0.028 0.000 0.922) 0.923 3.364 ( 1.135 -0.000 -10.932) 10.991 3.592 ( 7.644 -0.000 1.026) 7.712 3.755 ( 2.210 -0.000 -0.922) 2.394 3.789 ( 0.040 -0.000 -6.897) 6.897 3.810 ( -0.597 0.000 -2.473) 2.544 3.888 ( 2.149 -0.000 -3.763) 4.333 3.997 ( -2.573 0.000 -3.565) 4.397 4.185 ( -1.627 0.000 2.896) 3.322 4.190 ( -0.352 0.000 -5.156) 5.168 4.195 ( 1.552 -0.000 2.369) 2.832 4.228 ( -2.370 0.000 4.298) 4.908 4.317 ( 1.277 -0.000 3.327) 3.563 4.453 ( 1.003 -0.000 -1.364) 1.693 4.529 ( -2.553 0.000 -0.509) 2.604 4.588 ( 1.723 -0.000 1.072) 2.029 4.678 ( 2.293 -0.000 -2.780) 3.604 4.825 ( 0.768 -0.000 0.084) 0.773 4.856 ( -2.903 0.000 -0.930) 3.049 4.923 ( -0.542 0.000 2.324) 2.386 5.219 ( 1.628 -0.000 -7.772) 7.941 5.587 ( 4.740 -0.000 -2.972) 5.595 5.810 ( -3.291 0.000 6.468) 7.257 5.829 ( -2.954 0.000 3.419) 4.518 6.080 ( -0.214 0.000 -1.731) 1.744 11.452 ( -2.720 0.000 0.904) 2.866 11.659 ( -0.057 0.000 1.289) 1.291 11.721 ( -5.976 0.000 -1.760) 6.230 11.877 ( 2.721 -0.000 -0.709) 2.812 12.980 ( -10.462 0.000 17.314) 20.230 13.751 ( -6.674 0.000 -7.694) 10.185 14.057 ( 0.243 -0.000 -8.755) 8.758 14.357 ( -0.955 0.000 13.345) 13.379 14.673 ( -4.437 0.000 4.178) 6.095 14.961 ( 15.984 -0.000 -21.926) 27.134 16.313 ( 7.974 -0.000 6.888) 10.537 16.727 ( 2.053 -0.000 -5.771) 6.125 ======================= Grid point 83 (42/89) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 11.297 -3.856 13.365) 17.919 1.317 ( 9.606 -11.112 13.687) 20.077 1.808 ( -2.854 9.751 2.618) 10.492 1.974 ( 1.870 1.818 -2.222) 3.426 2.004 ( -4.421 1.826 1.185) 4.928 2.103 ( 12.258 -5.801 12.500) 18.444 2.280 ( 0.132 -5.704 -3.021) 6.456 2.320 ( 0.065 -0.952 0.100) 0.959 2.434 ( -2.481 2.422 -0.072) 3.468 2.505 ( 1.945 0.945 3.014) 3.709 2.587 ( 3.172 -0.871 5.297) 6.235 2.721 ( -2.847 -1.471 4.265) 5.335 2.770 ( 1.277 -1.120 -0.624) 1.809 2.845 ( 1.082 1.009 -0.150) 1.487 2.878 ( 2.016 -1.899 2.776) 3.922 2.910 ( -2.305 -5.425 5.129) 7.813 3.010 ( -6.814 -1.486 8.364) 10.890 3.174 ( 2.334 -3.236 -1.166) 4.157 3.383 ( 1.723 -1.390 -9.186) 9.449 3.605 ( 2.047 5.177 -4.308) 7.039 3.672 ( 2.921 8.887 3.434) 9.965 3.812 ( -2.495 -0.253 -3.620) 4.404 3.862 ( 1.141 -2.166 -1.906) 3.102 3.928 ( 0.426 -2.670 -2.757) 3.861 3.981 ( -1.238 -1.338 -3.324) 3.791 4.070 ( -3.970 6.266 5.106) 9.005 4.163 ( 0.239 1.045 2.001) 2.270 4.218 ( -0.497 -2.438 -6.832) 7.271 4.292 ( -3.258 -5.967 3.019) 7.438 4.351 ( 0.935 -0.591 2.656) 2.877 4.422 ( -1.051 2.431 0.320) 2.668 4.488 ( -0.340 -0.150 0.414) 0.556 4.610 ( 0.817 0.460 1.142) 1.478 4.691 ( -0.223 4.517 0.999) 4.631 4.742 ( -0.887 0.995 -0.875) 1.595 4.831 ( 0.390 1.439 1.709) 2.268 4.958 ( -3.791 -4.246 -0.332) 5.702 5.254 ( 4.085 0.002 -10.875) 11.617 5.610 ( 1.251 4.334 0.347) 4.524 5.764 ( -0.331 0.804 1.280) 1.547 5.823 ( -2.200 -3.328 2.727) 4.832 6.062 ( -0.901 0.961 -1.821) 2.248 11.467 ( 0.217 -4.109 2.054) 4.599 11.602 ( -1.716 2.074 0.098) 2.693 11.733 ( -1.252 -4.010 1.010) 4.321 11.938 ( 1.021 -2.673 -0.884) 2.995 12.848 ( -4.828 1.133 17.087) 17.792 13.608 ( -6.273 8.496 -11.266) 15.441 13.968 ( -0.219 6.627 -4.440) 7.980 14.445 ( -2.487 -12.075 11.516) 16.870 14.747 ( -5.845 -16.831 3.452) 18.148 15.066 ( 12.418 13.452 -22.222) 28.792 16.447 ( 7.449 -3.172 3.406) 8.784 16.765 ( 1.949 -1.521 -3.564) 4.337 ======================= Grid point 84 (43/89) ======================= q-point: ( 0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.647 -5.847 8.213) 13.282 1.466 ( -0.402 5.992 5.928) 8.439 1.679 ( 3.500 5.421 9.397) 11.399 1.821 ( 0.276 5.265 4.355) 6.838 2.038 ( -0.038 -4.066 -0.212) 4.072 2.250 ( -0.809 -2.936 3.217) 4.430 2.344 ( -0.405 -1.854 -3.603) 4.072 2.349 ( 1.712 -2.387 5.773) 6.478 2.417 ( 2.761 -0.560 1.318) 3.110 2.591 ( -2.332 -7.539 0.648) 7.918 2.632 ( 5.056 2.098 5.273) 7.601 2.681 ( -3.692 0.564 -0.984) 3.862 2.805 ( -1.292 0.663 1.557) 2.129 2.831 ( -0.171 -0.543 0.728) 0.924 2.924 ( 0.269 -2.320 2.557) 3.463 2.973 ( 1.548 -2.277 0.135) 2.756 3.059 ( 2.484 -4.624 7.002) 8.751 3.239 ( -0.212 -2.007 0.332) 2.045 3.440 ( -1.324 2.399 0.205) 2.748 3.526 ( 6.134 4.530 -0.658) 7.654 3.578 ( 4.489 5.025 -2.052) 7.043 3.746 ( -1.972 2.479 -2.505) 4.038 3.855 ( -2.958 2.932 5.536) 6.928 3.912 ( -1.877 2.689 -0.681) 3.349 3.980 ( -1.880 -0.758 -1.489) 2.516 4.009 ( 0.275 -2.784 -2.736) 3.913 4.152 ( -4.810 -2.158 2.308) 5.755 4.242 ( -0.661 -1.198 -4.553) 4.754 4.293 ( -0.733 -0.452 -0.682) 1.098 4.354 ( -1.445 -0.826 2.487) 2.992 4.436 ( 1.977 -1.027 0.887) 2.398 4.474 ( -2.106 0.960 -2.839) 3.663 4.606 ( 1.781 0.895 -0.038) 1.993 4.637 ( 2.534 0.922 0.640) 2.771 4.725 ( -0.890 2.624 0.843) 2.897 4.810 ( 1.084 2.153 -2.127) 3.215 4.988 ( -3.467 -6.047 3.327) 7.724 5.317 ( 4.061 -1.310 -10.017) 10.888 5.493 ( -4.811 5.405 6.074) 9.447 5.758 ( -0.814 -0.575 1.036) 1.438 5.880 ( 2.544 -2.335 -2.621) 4.335 6.033 ( -1.120 0.932 -1.598) 2.162 11.531 ( 0.970 -0.773 0.644) 1.397 11.633 ( 1.502 -6.423 4.435) 7.949 11.774 ( -1.462 -2.840 1.636) 3.589 11.954 ( 0.402 1.599 2.022) 2.610 12.879 ( -1.047 -9.369 7.863) 12.276 13.331 ( -5.146 14.093 -15.278) 21.413 13.910 ( 1.705 2.089 -0.469) 2.737 14.638 ( -1.172 -12.671 8.636) 15.379 14.831 ( -6.257 10.741 -11.184) 16.721 15.012 ( 6.249 -6.570 -1.147) 9.139 16.565 ( 6.485 0.109 -1.844) 6.743 16.810 ( -0.798 -2.109 -1.419) 2.664 ======================= Grid point 85 (44/89) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 1.120 14.306 13.245) 19.528 1.418 ( -6.077 13.684 12.610) 19.575 1.678 ( 8.525 -6.733 0.655) 10.883 1.939 ( 7.033 -2.973 -0.171) 7.637 2.091 ( -3.454 -4.658 0.477) 5.819 2.240 ( -2.133 2.256 3.227) 4.478 2.316 ( 0.923 5.551 -3.144) 6.446 2.401 ( -0.752 -0.743 4.665) 4.783 2.502 ( -0.144 -6.769 7.631) 10.202 2.575 ( -7.335 -0.176 -0.681) 7.369 2.615 ( 3.564 3.701 -3.485) 6.208 2.728 ( -2.249 3.781 8.049) 9.173 2.742 ( 1.823 -4.772 -1.711) 5.388 2.815 ( -2.194 -2.563 4.024) 5.252 2.972 ( 1.782 2.135 -0.092) 2.783 3.018 ( -2.172 1.712 6.777) 7.320 3.061 ( 0.698 2.006 -3.840) 4.388 3.192 ( -0.757 1.816 2.782) 3.407 3.381 ( -2.049 0.492 3.257) 3.879 3.540 ( 1.969 2.601 4.832) 5.831 3.612 ( 6.163 4.076 -3.656) 8.244 3.728 ( 2.280 -0.749 -3.149) 3.959 3.848 ( 1.163 2.124 -2.669) 3.603 3.865 ( 1.190 -6.570 2.549) 7.147 3.966 ( -0.575 -0.145 0.753) 0.958 4.065 ( -0.295 -2.670 -1.906) 3.293 4.124 ( -3.311 -0.840 2.381) 4.164 4.213 ( -4.939 0.118 -2.063) 5.354 4.320 ( 1.069 -2.265 -0.333) 2.526 4.345 ( 0.606 0.087 0.374) 0.718 4.461 ( -1.623 -2.939 -0.916) 3.480 4.470 ( 2.331 1.668 -0.761) 2.966 4.597 ( -3.642 4.857 2.484) 6.559 4.636 ( 2.076 -0.047 -7.474) 7.757 4.676 ( 3.101 3.027 0.058) 4.334 4.819 ( 5.057 0.672 -5.392) 7.422 5.058 ( -3.411 -6.695 4.083) 8.551 5.330 ( -6.170 1.844 6.042) 8.830 5.415 ( 2.562 -1.907 -3.939) 5.071 5.762 ( -2.014 -2.061 2.696) 3.946 5.945 ( 2.910 -1.223 -3.902) 5.019 6.002 ( -0.879 1.260 -0.692) 1.685 11.563 ( 2.843 -0.419 1.278) 3.145 11.697 ( -0.671 2.527 4.813) 5.478 11.791 ( -3.481 -2.967 0.966) 4.675 11.985 ( 2.778 -5.459 6.480) 8.917 12.961 ( -0.119 9.645 -9.030) 13.213 13.204 ( -2.864 -15.983 -7.946) 18.078 13.933 ( 5.502 0.445 0.662) 5.560 14.505 ( -5.269 16.638 -7.993) 19.196 14.795 ( 0.193 -5.579 9.443) 10.970 15.190 ( 2.303 -6.630 -2.566) 7.473 16.604 ( 4.462 4.171 -2.415) 6.568 16.781 ( -4.717 1.351 -2.759) 5.629 ======================= Grid point 86 (45/89) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 3.889 11.148 16.999) 20.698 1.146 ( 3.582 14.072 16.259) 21.799 1.819 ( -5.185 -0.732 2.131) 5.654 1.947 ( 3.715 9.522 7.027) 12.404 2.091 ( -0.435 -0.567 4.753) 4.806 2.159 ( -1.787 -0.061 -3.556) 3.980 2.235 ( -0.042 4.034 -4.407) 5.975 2.374 ( -4.709 -2.414 0.022) 5.292 2.498 ( -5.735 -3.524 1.785) 6.964 2.560 ( 0.418 0.724 4.077) 4.162 2.603 ( -2.523 4.984 2.916) 6.302 2.684 ( 6.212 0.132 -0.703) 6.253 2.828 ( 0.588 -3.643 4.728) 5.998 2.866 ( -1.716 1.995 0.605) 2.700 2.938 ( -2.436 3.609 -2.520) 5.031 2.947 ( -0.372 -2.481 -0.331) 2.531 3.010 ( 2.754 -1.044 6.620) 7.246 3.228 ( 1.307 1.067 1.552) 2.293 3.360 ( 0.491 -3.077 4.335) 5.339 3.491 ( 0.538 5.349 5.136) 7.435 3.609 ( -0.984 -0.260 -0.326) 1.069 3.783 ( 3.041 0.731 -4.932) 5.840 3.861 ( 1.616 -2.280 -7.322) 7.837 3.972 ( 1.932 -0.953 1.047) 2.395 3.991 ( -2.279 -0.147 -3.565) 4.234 4.045 ( -1.505 -2.268 2.878) 3.961 4.111 ( -0.905 -1.059 0.100) 1.397 4.225 ( 2.136 -3.127 0.844) 3.880 4.342 ( 0.358 1.309 -0.039) 1.358 4.384 ( 1.299 -2.013 0.198) 2.404 4.428 ( -2.202 0.806 -1.668) 2.878 4.456 ( -1.219 7.116 0.263) 7.224 4.528 ( 1.505 -5.243 1.467) 5.649 4.645 ( 0.369 1.038 -1.587) 1.932 4.678 ( 4.265 2.816 -8.072) 9.553 4.887 ( 7.774 2.266 -9.701) 12.637 5.077 ( -8.365 -3.539 9.457) 13.113 5.247 ( -4.608 -1.012 4.334) 6.407 5.486 ( 1.343 -2.803 -1.844) 3.614 5.777 ( -1.955 -2.978 4.158) 5.475 5.947 ( -1.334 2.007 0.659) 2.499 6.014 ( 2.360 -1.470 -2.763) 3.920 11.580 ( -0.785 3.805 3.224) 5.049 11.629 ( 2.032 1.040 3.601) 4.264 11.780 ( -4.564 -2.225 -0.792) 5.139 12.091 ( -1.351 -1.037 2.188) 2.772 12.842 ( 2.651 0.407 -4.660) 5.377 13.521 ( -2.713 -22.192 -8.358) 23.868 14.059 ( 12.128 -3.028 -2.263) 12.704 14.198 ( -5.581 11.000 -5.113) 13.353 14.777 ( 0.981 9.710 9.893) 13.897 15.276 ( -0.547 -1.374 -4.930) 5.147 16.477 ( -4.399 11.498 1.250) 12.374 16.715 ( 0.313 1.552 -5.873) 6.083 ======================= Grid point 89 (46/89) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 11.040 -0.000 12.211) 16.462 1.349 ( 14.217 -0.000 13.025) 19.281 1.874 ( -3.007 0.000 8.102) 8.642 1.927 ( -0.422 0.000 -0.544) 0.688 2.006 ( -5.255 0.000 1.526) 5.472 2.219 ( 1.350 -0.000 7.340) 7.463 2.248 ( 4.519 -0.000 -4.247) 6.201 2.284 ( 0.337 -0.000 -0.473) 0.581 2.407 ( -2.996 0.000 1.370) 3.294 2.607 ( 6.186 -0.000 0.070) 6.186 2.622 ( 6.676 -0.000 6.011) 8.983 2.692 ( -2.051 0.000 3.789) 4.309 2.767 ( -0.657 0.000 2.284) 2.376 2.837 ( 2.446 -0.000 10.928) 11.198 2.887 ( -0.737 0.000 0.630) 0.970 2.898 ( 1.490 -0.000 3.519) 3.822 2.917 ( 2.359 -0.000 4.031) 4.671 3.170 ( 1.322 -0.000 -1.938) 2.345 3.393 ( 1.409 -0.000 -12.091) 12.173 3.664 ( -0.865 0.000 -9.559) 9.598 3.746 ( -4.828 0.000 -3.715) 6.092 3.815 ( 1.887 -0.000 0.646) 1.994 3.839 ( 3.438 -0.000 0.591) 3.489 3.913 ( -0.610 0.000 -2.605) 2.675 3.951 ( -1.004 0.000 -0.711) 1.231 4.073 ( -4.423 0.000 8.576) 9.649 4.123 ( -7.463 0.000 1.459) 7.604 4.176 ( -1.169 0.000 -4.683) 4.827 4.237 ( 1.214 -0.000 1.874) 2.233 4.362 ( 2.156 -0.000 3.677) 4.263 4.452 ( 0.364 -0.000 4.528) 4.543 4.465 ( 0.072 -0.000 -1.953) 1.954 4.626 ( -1.182 0.000 -0.407) 1.251 4.723 ( 1.119 -0.000 -1.587) 1.942 4.725 ( -3.561 0.000 2.619) 4.420 4.808 ( -5.262 0.000 -3.719) 6.443 4.932 ( 4.758 -0.000 1.691) 5.050 5.301 ( 3.507 -0.000 -10.212) 10.797 5.633 ( -6.021 0.000 7.209) 9.393 5.742 ( -3.307 0.000 2.927) 4.416 5.817 ( 7.022 -0.000 -8.290) 10.865 6.053 ( -1.577 0.000 -1.370) 2.089 11.448 ( 2.199 -0.000 1.674) 2.764 11.621 ( -1.374 0.000 0.464) 1.450 11.659 ( 0.415 -0.000 -0.324) 0.527 11.945 ( 1.778 -0.000 0.874) 1.981 12.788 ( -5.593 0.000 22.626) 23.307 13.613 ( -3.358 0.000 -7.746) 8.443 14.063 ( 0.408 -0.000 -7.301) 7.312 14.321 ( -1.726 0.000 10.776) 10.913 14.449 ( -7.865 0.000 0.598) 7.888 15.373 ( 11.844 -0.000 -27.056) 29.535 16.489 ( 4.621 -0.000 6.881) 8.288 16.780 ( 1.814 -0.000 -2.879) 3.403 ======================= Grid point 90 (47/89) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 10.388 -1.525 6.569) 12.385 1.564 ( 7.419 -0.653 9.409) 12.000 1.790 ( 1.018 1.562 12.179) 12.321 1.871 ( -4.899 4.609 6.880) 9.622 1.973 ( -2.328 -2.188 -1.350) 3.468 2.159 ( -6.347 -1.284 4.643) 7.968 2.309 ( 1.591 -3.532 -7.421) 8.371 2.335 ( 1.094 -0.717 2.439) 2.768 2.433 ( 4.354 -2.940 3.203) 6.153 2.574 ( -1.051 6.111 5.072) 8.011 2.654 ( -0.370 1.301 1.694) 2.168 2.707 ( 3.750 -1.088 2.980) 4.912 2.777 ( -2.980 -0.579 2.157) 3.724 2.848 ( 1.016 -0.617 3.567) 3.760 2.918 ( 2.509 0.132 -0.386) 2.542 2.957 ( 3.133 -2.177 1.538) 4.113 3.033 ( 6.179 -4.321 7.007) 10.294 3.189 ( -2.293 -1.910 -1.079) 3.173 3.437 ( 2.521 -2.291 -8.698) 9.341 3.621 ( -1.123 3.494 -8.348) 9.119 3.686 ( -0.675 0.037 -2.525) 2.613 3.772 ( -0.603 3.950 1.681) 4.335 3.876 ( -3.778 1.219 4.445) 5.960 3.898 ( 0.931 0.178 1.408) 1.697 3.951 ( -1.346 -2.418 -1.181) 3.009 4.006 ( 1.281 4.612 0.762) 4.847 4.042 ( -4.580 -1.429 3.166) 5.748 4.187 ( -2.312 -2.612 -5.444) 6.465 4.267 ( 0.935 -1.807 1.820) 2.730 4.370 ( -0.540 1.766 4.880) 5.218 4.439 ( 1.925 -1.198 0.488) 2.319 4.494 ( -0.494 1.710 -3.432) 3.866 4.607 ( -0.171 -3.144 1.873) 3.664 4.675 ( -0.430 2.625 -0.420) 2.693 4.735 ( 0.124 0.079 -1.500) 1.508 4.762 ( -5.551 -2.560 -0.426) 6.128 4.991 ( 7.026 2.206 -0.176) 7.366 5.340 ( 1.910 -0.348 -7.409) 7.659 5.505 ( -6.786 3.939 7.223) 10.665 5.714 ( -2.286 -0.698 2.454) 3.426 5.915 ( 5.843 -0.811 -8.616) 10.442 6.028 ( -1.475 0.470 -1.006) 1.846 11.520 ( 3.626 -3.551 2.478) 5.648 11.610 ( 2.344 0.168 2.483) 3.419 11.706 ( -0.721 -3.212 -0.479) 3.327 11.970 ( 0.787 -1.035 0.525) 1.402 12.734 ( -5.007 -2.316 17.295) 18.153 13.491 ( -1.954 11.260 -8.991) 14.541 14.010 ( 3.337 3.990 -2.536) 5.787 14.366 ( -3.883 -10.535 8.371) 14.005 14.568 ( -6.233 -17.376 -4.369) 18.970 15.343 ( 8.475 16.363 -19.551) 26.867 16.585 ( 2.287 -5.468 3.011) 6.648 16.789 ( 0.073 0.868 -1.116) 1.416 ======================= Grid point 91 (48/89) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 1.724 11.782 9.962) 15.525 1.526 ( -0.748 3.274 5.606) 6.535 1.754 ( 2.716 5.515 8.915) 10.829 1.924 ( 2.687 -5.416 2.068) 6.390 1.982 ( -0.799 -4.151 -0.957) 4.334 2.141 ( -11.093 -8.921 7.822) 16.243 2.322 ( -0.733 2.652 0.378) 2.778 2.398 ( 2.836 -2.374 -4.093) 5.516 2.460 ( -0.770 3.157 5.298) 6.216 2.566 ( 5.894 0.304 1.880) 6.194 2.632 ( 0.494 -2.332 1.737) 2.949 2.740 ( -2.248 -1.526 4.631) 5.369 2.769 ( 2.918 2.142 -0.661) 3.680 2.831 ( 0.495 1.685 3.867) 4.247 2.961 ( -0.640 -3.581 -1.188) 3.827 3.014 ( 1.420 1.477 0.830) 2.210 3.076 ( -0.004 1.636 0.038) 1.637 3.221 ( -2.028 -5.214 3.212) 6.451 3.355 ( -3.231 8.681 0.111) 9.263 3.626 ( -1.540 5.876 -0.788) 6.126 3.685 ( 1.514 -5.820 -1.195) 6.131 3.742 ( -4.899 -3.081 3.938) 7.000 3.796 ( 3.652 3.746 -1.914) 5.571 3.901 ( 0.252 0.492 1.713) 1.800 3.963 ( 1.434 2.458 -1.762) 3.347 4.001 ( -0.298 -4.175 -1.790) 4.552 4.079 ( 4.318 -2.617 2.505) 5.636 4.154 ( -4.664 0.550 -2.938) 5.539 4.307 ( 1.018 -1.286 0.341) 1.675 4.360 ( 0.120 -1.736 2.031) 2.675 4.437 ( -0.116 1.942 -2.355) 3.054 4.514 ( 3.219 -1.068 -1.782) 3.832 4.610 ( -3.846 2.391 0.878) 4.613 4.662 ( 1.547 0.541 -2.908) 3.338 4.726 ( 0.510 0.754 -1.546) 1.794 4.775 ( -3.405 -7.047 2.185) 8.126 5.047 ( 7.985 2.493 -3.478) 9.059 5.289 ( -6.711 3.484 7.355) 10.549 5.430 ( 1.463 -0.268 -3.536) 3.836 5.704 ( -1.734 -1.029 2.355) 3.100 5.973 ( 2.114 0.214 -5.184) 5.603 6.010 ( 0.256 0.296 -1.615) 1.662 11.605 ( 3.808 -0.502 1.850) 4.263 11.694 ( 3.018 -3.989 5.877) 7.717 11.717 ( -2.348 -1.302 0.444) 2.722 11.983 ( 1.096 1.340 2.852) 3.336 12.801 ( -4.574 -14.832 3.403) 15.890 13.234 ( -1.011 15.861 -10.827) 19.231 14.039 ( 6.583 1.415 2.888) 7.326 14.470 ( -9.337 -6.277 -0.076) 11.251 14.753 ( 0.566 -10.850 -5.538) 12.195 15.188 ( 5.296 8.954 -5.215) 11.637 16.692 ( -0.705 -4.772 -1.761) 5.136 16.736 ( -0.855 4.632 0.091) 4.711 ======================= Grid point 92 (49/89) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 2.566 12.481 10.502) 16.512 1.441 ( 7.096 9.063 9.670) 15.033 1.682 ( -9.280 -2.428 3.812) 10.322 1.967 ( -9.700 -3.456 0.218) 10.300 2.075 ( 4.649 -2.829 -0.962) 5.526 2.162 ( -1.828 -4.000 4.836) 6.536 2.266 ( -0.378 0.350 -2.482) 2.535 2.342 ( -1.956 7.820 6.370) 10.274 2.463 ( 2.485 0.135 0.362) 2.515 2.604 ( 4.552 3.542 3.110) 6.553 2.694 ( -1.896 4.218 7.291) 8.634 2.745 ( -0.808 -2.739 -2.737) 3.956 2.769 ( 1.333 -0.214 1.707) 2.177 2.837 ( 5.290 -2.026 1.322) 5.817 2.934 ( -2.495 4.525 -1.314) 5.332 2.975 ( 0.271 0.376 3.585) 3.614 3.136 ( 1.964 8.698 1.862) 9.109 3.147 ( -0.620 -6.858 0.816) 6.934 3.348 ( 0.607 -5.965 -0.936) 6.068 3.476 ( -4.061 4.867 5.667) 8.503 3.642 ( -8.875 1.732 6.558) 11.170 3.796 ( -0.029 -3.270 -5.311) 6.237 3.852 ( 4.537 -0.979 -4.956) 6.790 3.910 ( -0.266 -2.042 1.791) 2.729 3.957 ( 0.592 -1.055 1.426) 1.871 4.050 ( -1.718 3.147 -2.866) 4.590 4.075 ( 0.804 -3.450 -2.210) 4.175 4.221 ( 5.351 -2.611 1.128) 6.060 4.342 ( -0.711 -2.025 -1.260) 2.489 4.405 ( 2.621 0.519 -0.597) 2.738 4.431 ( 0.623 -1.385 -3.194) 3.537 4.476 ( -2.061 2.418 2.178) 3.853 4.549 ( 0.182 3.835 -0.427) 3.863 4.658 ( 0.684 0.044 -1.257) 1.432 4.741 ( 1.623 0.287 -5.346) 5.595 4.834 ( -6.883 -6.117 4.602) 10.294 5.100 ( 7.461 4.306 -4.156) 9.565 5.174 ( -3.982 -0.276 5.700) 6.959 5.473 ( 1.819 -1.704 -1.951) 3.165 5.709 ( -1.143 -2.032 2.271) 3.255 5.959 ( -1.177 1.473 0.743) 2.026 6.026 ( 1.435 -0.293 -3.870) 4.138 11.639 ( 0.306 0.525 1.903) 1.998 11.661 ( -2.018 2.489 1.996) 3.775 11.764 ( 3.428 2.908 4.984) 6.712 11.995 ( -2.372 -4.680 4.386) 6.839 12.988 ( 2.013 12.886 -7.475) 15.032 13.094 ( -2.729 -23.870 -8.156) 25.372 14.110 ( 2.231 -0.366 0.647) 2.351 14.318 ( -2.720 6.316 -7.637) 10.277 14.921 ( 6.868 1.392 3.372) 7.777 15.185 ( -3.640 -5.148 0.418) 6.319 16.569 ( -5.961 7.108 0.112) 9.277 16.763 ( 3.730 0.681 -3.720) 5.312 ======================= Grid point 96 (50/89) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 11.842 -0.000 3.718) 12.412 1.613 ( 2.251 -0.000 11.739) 11.953 1.748 ( -8.694 0.000 9.148) 12.621 1.845 ( -1.836 0.000 7.513) 7.734 1.915 ( -3.158 0.000 -2.080) 3.782 2.064 ( -8.158 0.000 6.563) 10.470 2.303 ( 3.116 -0.000 -5.321) 6.166 2.383 ( 7.124 -0.000 1.743) 7.334 2.477 ( 5.281 -0.000 1.613) 5.522 2.594 ( -2.927 0.000 3.219) 4.350 2.670 ( -5.800 0.000 5.270) 7.837 2.704 ( -3.939 0.000 7.957) 8.879 2.755 ( 5.018 -0.000 0.464) 5.039 2.873 ( 2.637 -0.000 2.695) 3.771 2.936 ( -0.468 0.000 0.671) 0.818 2.953 ( 2.049 -0.000 3.752) 4.275 3.076 ( 0.573 -0.000 2.451) 2.518 3.149 ( 0.033 -0.000 -0.322) 0.324 3.445 ( 1.587 -0.000 -8.885) 9.026 3.613 ( -3.948 0.000 -2.664) 4.763 3.645 ( -1.369 0.000 -10.485) 10.574 3.808 ( -2.073 0.000 -2.687) 3.394 3.817 ( -2.164 0.000 5.451) 5.865 3.900 ( 0.526 -0.000 -0.480) 0.712 3.949 ( 0.450 -0.000 6.172) 6.189 4.009 ( 1.782 -0.000 1.675) 2.446 4.123 ( -2.139 0.000 -5.649) 6.040 4.135 ( 7.484 -0.000 1.469) 7.626 4.251 ( 0.174 -0.000 1.386) 1.397 4.384 ( -1.864 0.000 4.323) 4.708 4.438 ( -5.073 0.000 4.489) 6.774 4.457 ( -0.308 0.000 -1.461) 1.493 4.550 ( -1.293 0.000 -4.915) 5.082 4.700 ( -1.388 0.000 1.036) 1.732 4.713 ( 1.126 -0.000 -3.440) 3.619 4.744 ( 1.265 -0.000 -0.525) 1.370 5.112 ( 7.927 -0.000 -1.592) 8.085 5.358 ( 1.107 -0.000 -4.710) 4.839 5.436 ( -8.067 0.000 11.257) 13.848 5.703 ( 0.805 -0.000 -1.571) 1.765 5.977 ( 4.497 -0.000 -9.632) 10.630 6.012 ( -1.484 0.000 -0.480) 1.560 11.542 ( 4.457 -0.000 2.665) 5.193 11.656 ( 3.988 -0.000 3.670) 5.420 11.674 ( 0.276 -0.000 -1.500) 1.525 11.950 ( -1.154 0.000 -0.661) 1.330 12.674 ( -4.005 0.000 21.691) 22.057 13.610 ( 3.702 -0.000 -3.857) 5.347 14.070 ( 0.170 -0.000 -7.332) 7.334 14.277 ( -5.953 0.000 -6.055) 8.491 14.285 ( -1.300 0.000 8.256) 8.358 15.581 ( 5.988 -0.000 -24.247) 24.975 16.516 ( -2.856 0.000 6.567) 7.162 16.803 ( -0.091 0.000 -0.756) 0.761 ======================= Grid point 97 (51/89) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -9.572 1.743 7.922) 12.546 1.615 ( -6.854 3.542 4.235) 8.801 1.808 ( -2.304 -3.274 9.950) 10.726 1.849 ( 3.314 -3.387 3.420) 5.844 1.926 ( -0.241 0.200 -1.184) 1.224 1.963 ( 1.391 -0.285 4.007) 4.251 2.380 ( 4.000 -2.533 -3.472) 5.871 2.429 ( 4.404 4.721 2.574) 6.950 2.512 ( -1.746 4.274 5.597) 7.255 2.571 ( -7.936 -0.718 2.869) 8.469 2.602 ( 4.625 -6.037 2.812) 8.109 2.688 ( -0.288 -1.990 5.809) 6.147 2.801 ( 3.188 0.247 1.893) 3.716 2.854 ( -0.957 2.550 2.170) 3.482 2.935 ( -0.981 -1.491 0.464) 1.844 3.046 ( -2.537 -1.467 1.314) 3.212 3.052 ( -1.578 -7.407 4.782) 8.957 3.128 ( 1.022 4.710 -0.382) 4.835 3.432 ( -3.507 0.492 -2.491) 4.329 3.572 ( -4.030 2.859 -3.394) 5.994 3.657 ( 0.033 -5.704 -3.461) 6.672 3.712 ( -0.964 6.312 0.795) 6.434 3.843 ( -0.658 -1.291 0.766) 1.639 3.917 ( 1.023 3.102 3.125) 4.520 3.926 ( -1.449 -1.911 -0.730) 2.507 4.053 ( 3.342 1.086 0.006) 3.514 4.118 ( 2.685 -1.402 -5.176) 5.997 4.184 ( 6.216 4.231 -0.162) 7.522 4.286 ( 0.733 -2.789 0.658) 2.957 4.321 ( -1.908 -0.275 3.473) 3.972 4.444 ( -2.896 -1.117 -0.514) 3.146 4.476 ( -1.860 -6.184 1.787) 6.700 4.551 ( -0.964 -0.871 -5.931) 6.071 4.665 ( -1.791 0.931 1.151) 2.323 4.722 ( 1.090 0.783 -2.824) 3.126 4.762 ( 2.290 1.413 -1.110) 2.911 5.188 ( 6.034 1.831 -3.390) 7.159 5.292 ( -2.476 4.564 9.205) 10.569 5.410 ( -0.795 -2.581 1.613) 3.145 5.714 ( 2.403 1.450 -3.166) 4.231 5.989 ( -0.701 0.624 -0.770) 1.214 6.021 ( 1.427 -0.364 -6.522) 6.686 11.612 ( 2.376 -2.213 2.409) 4.043 11.680 ( -1.128 -0.286 -0.667) 1.341 11.723 ( 5.943 -0.366 5.902) 8.384 11.978 ( 0.225 -4.173 -1.609) 4.478 12.616 ( -3.737 -0.465 14.142) 14.635 13.522 ( 4.299 15.945 -4.073) 17.010 14.109 ( 3.632 -2.498 -0.811) 4.483 14.243 ( -5.775 -6.213 -0.988) 8.540 14.462 ( -1.935 -18.599 -2.546) 18.872 15.489 ( 3.421 15.874 -16.033) 22.820 16.541 ( -4.936 -7.641 1.863) 9.285 16.785 ( -0.476 1.235 -0.558) 1.436 ======================= Grid point 98 (52/89) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -13.752 -5.310 7.040) 16.336 1.497 ( -0.967 3.870 2.071) 4.494 1.710 ( -2.636 5.725 8.469) 10.558 1.782 ( -5.850 3.005 5.554) 8.608 2.033 ( 2.873 -4.049 2.332) 5.486 2.123 ( 8.801 -6.178 -4.475) 11.647 2.346 ( 0.099 6.518 -0.376) 6.529 2.409 ( -0.114 1.840 5.567) 5.864 2.489 ( 0.924 1.080 4.441) 4.663 2.557 ( -4.736 -7.897 0.254) 9.212 2.694 ( -1.900 -4.481 6.719) 8.296 2.742 ( 3.193 4.441 -0.112) 5.471 2.807 ( 1.865 0.442 2.446) 3.108 2.872 ( 1.983 -4.458 1.921) 5.244 2.939 ( -0.384 1.183 -1.014) 1.605 3.042 ( -3.139 -4.035 2.238) 5.580 3.054 ( 2.003 4.337 0.620) 4.817 3.179 ( -0.757 -7.544 3.679) 8.427 3.348 ( 2.713 8.563 0.657) 9.007 3.454 ( -10.288 -2.348 6.834) 12.572 3.574 ( -0.610 7.932 0.339) 7.962 3.736 ( -1.524 -2.407 -4.252) 5.118 3.849 ( -2.020 -2.385 1.214) 3.352 3.896 ( 1.456 -0.497 -1.047) 1.861 3.954 ( -0.897 -1.982 -0.557) 2.246 4.073 ( 3.830 1.810 -1.580) 4.521 4.110 ( 2.029 3.059 -2.747) 4.585 4.270 ( 3.562 -2.649 -1.411) 4.658 4.296 ( -0.126 1.019 0.338) 1.081 4.384 ( 1.895 -4.890 -0.582) 5.277 4.437 ( 1.467 -0.350 -0.784) 1.700 4.487 ( -4.670 0.972 -0.918) 4.858 4.574 ( 0.218 -3.794 -0.372) 3.819 4.630 ( -2.427 1.024 -1.372) 2.970 4.706 ( -3.686 1.844 -0.746) 4.188 4.762 ( 1.530 -1.061 -2.937) 3.478 5.164 ( -0.610 2.828 7.587) 8.120 5.271 ( 7.498 4.120 -2.868) 9.023 5.444 ( -1.007 -2.632 2.990) 4.109 5.718 ( 3.007 1.756 -3.863) 5.201 5.966 ( -0.955 1.088 1.147) 1.847 6.030 ( -0.323 -0.247 -4.363) 4.382 11.613 ( -3.277 1.516 -0.506) 3.646 11.690 ( 0.962 -1.773 3.009) 3.623 11.820 ( 5.088 -2.266 7.443) 9.296 11.992 ( -0.188 5.086 3.675) 6.278 12.717 ( -1.054 -16.971 -3.724) 17.407 13.289 ( 5.155 17.702 -3.921) 18.849 14.123 ( -3.279 2.610 0.991) 4.307 14.288 ( -1.812 -5.342 -7.746) 9.582 14.811 ( 2.679 -20.669 0.256) 20.844 15.242 ( -0.615 14.246 -0.935) 14.290 16.558 ( -4.418 -0.502 -2.773) 5.240 16.791 ( 1.309 -1.811 -1.900) 2.933 ======================= Grid point 103 (53/89) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -21.753 0.000 6.859) 22.809 1.416 ( -13.414 0.000 10.146) 16.819 1.846 ( 2.095 -0.000 4.469) 4.936 1.916 ( 9.172 -0.000 -4.024) 10.017 1.954 ( 3.468 -0.000 -0.479) 3.501 1.972 ( 1.239 -0.000 5.311) 5.453 2.398 ( 0.967 -0.000 -0.992) 1.385 2.452 ( -8.262 0.000 3.662) 9.037 2.523 ( -8.428 0.000 10.365) 13.359 2.541 ( 2.707 -0.000 2.802) 3.897 2.583 ( 3.017 -0.000 1.113) 3.216 2.636 ( 3.820 -0.000 1.964) 4.295 2.857 ( 0.450 -0.000 3.800) 3.827 2.859 ( -0.727 0.000 4.220) 4.282 2.896 ( -1.262 0.000 8.604) 8.696 2.966 ( 2.297 -0.000 5.752) 6.193 2.994 ( -1.742 0.000 -0.680) 1.869 3.182 ( -2.785 0.000 0.119) 2.787 3.383 ( -2.961 0.000 -3.984) 4.964 3.560 ( -3.481 0.000 -8.244) 8.949 3.605 ( 1.378 -0.000 -4.693) 4.892 3.759 ( -2.488 0.000 -1.899) 3.130 3.857 ( 3.644 -0.000 4.597) 5.866 3.881 ( -1.574 0.000 -1.705) 2.321 3.971 ( 0.572 -0.000 4.839) 4.873 4.097 ( 2.794 -0.000 2.374) 3.666 4.151 ( 4.514 -0.000 -8.789) 9.880 4.259 ( 0.479 -0.000 1.366) 1.448 4.268 ( -4.774 0.000 1.011) 4.880 4.302 ( -3.589 0.000 2.806) 4.556 4.362 ( 7.339 -0.000 -0.344) 7.347 4.451 ( -0.365 0.000 -1.626) 1.666 4.531 ( -1.087 0.000 -8.066) 8.139 4.647 ( -1.668 0.000 1.365) 2.155 4.731 ( -0.652 0.000 -2.607) 2.687 4.808 ( 0.515 -0.000 -2.210) 2.269 5.245 ( 1.378 -0.000 6.840) 6.978 5.359 ( 4.464 -0.000 4.424) 6.285 5.367 ( -0.259 0.000 -0.206) 0.331 5.776 ( 4.261 -0.000 -5.014) 6.580 5.985 ( -0.537 0.000 0.977) 1.115 6.021 ( -0.894 0.000 -6.518) 6.579 11.633 ( 2.076 -0.000 2.610) 3.335 11.656 ( -1.565 0.000 -0.781) 1.750 11.809 ( 7.087 -0.000 5.846) 9.187 11.910 ( -1.495 0.000 -4.141) 4.403 12.621 ( 0.526 -0.000 20.148) 20.155 13.795 ( 9.975 -0.000 2.854) 10.375 14.064 ( -0.423 0.000 -9.140) 9.150 14.129 ( -5.740 0.000 -6.377) 8.580 14.250 ( -1.747 0.000 5.880) 6.134 15.687 ( 2.662 -0.000 -23.692) 23.841 16.366 ( -8.077 0.000 6.317) 10.254 16.775 ( -1.899 0.000 -1.456) 2.393 ======================= Grid point 104 (54/89) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -19.325 -4.245 9.105) 21.780 1.300 ( -13.972 -6.799 10.806) 18.927 1.842 ( 5.426 7.372 3.401) 9.765 1.890 ( 2.189 5.392 -0.373) 5.832 2.032 ( 3.228 -2.702 1.666) 4.527 2.093 ( 0.755 -8.124 -1.128) 8.236 2.328 ( -5.245 -1.777 4.837) 7.353 2.392 ( -7.379 -1.395 3.354) 8.224 2.496 ( 3.048 0.104 3.411) 4.576 2.531 ( 1.276 3.842 1.889) 4.467 2.595 ( 2.293 -2.371 3.972) 5.163 2.781 ( 1.565 -4.898 1.725) 5.424 2.816 ( -1.068 0.599 1.811) 2.186 2.858 ( 1.388 1.312 5.031) 5.381 2.912 ( -0.204 -2.146 7.547) 7.849 2.998 ( 2.959 0.396 -0.595) 3.044 3.064 ( 0.390 -4.344 3.064) 5.330 3.091 ( -4.927 0.097 1.461) 5.140 3.339 ( -3.247 0.520 -0.367) 3.309 3.490 ( -1.638 4.279 -5.037) 6.809 3.642 ( 0.795 -0.416 -1.431) 1.689 3.732 ( -1.170 -0.299 -3.187) 3.408 3.818 ( 1.019 4.529 1.322) 4.826 3.883 ( -0.820 -0.141 -0.725) 1.103 3.967 ( 2.541 0.864 2.008) 3.352 4.119 ( 0.171 0.165 2.146) 2.159 4.181 ( 0.391 2.964 -0.532) 3.036 4.229 ( 1.504 -1.330 -4.301) 4.747 4.319 ( 0.798 -5.054 0.963) 5.207 4.343 ( -2.225 -7.067 2.159) 7.717 4.389 ( 3.229 3.037 -1.597) 4.712 4.456 ( -0.775 -0.235 -0.910) 1.218 4.528 ( 0.387 -0.657 -7.078) 7.119 4.646 ( -0.013 0.065 -3.097) 3.098 4.697 ( -4.054 1.602 -3.021) 5.304 4.763 ( -1.730 1.545 -1.645) 2.843 5.239 ( 2.589 3.650 10.360) 11.285 5.384 ( -1.638 -2.199 3.987) 4.838 5.407 ( 5.570 2.122 -2.992) 6.669 5.806 ( 3.849 2.473 -4.921) 6.719 5.976 ( 0.046 0.903 1.562) 1.805 6.002 ( -2.642 -0.849 -3.594) 4.540 11.607 ( -1.497 1.461 0.235) 2.105 11.656 ( -1.365 -0.303 2.818) 3.146 11.879 ( 4.269 0.850 3.951) 5.878 11.991 ( 1.160 -7.401 -2.342) 7.849 12.612 ( 4.731 2.500 12.169) 13.294 13.667 ( 6.074 18.711 0.298) 19.674 14.093 ( -5.656 -0.087 -5.741) 8.059 14.162 ( 0.329 -6.742 -3.047) 7.406 14.460 ( 1.464 -23.348 3.295) 23.624 15.499 ( -2.387 18.005 -11.587) 21.544 16.410 ( -4.311 -11.403 -1.856) 12.331 16.754 ( -1.885 -1.091 -2.613) 3.402 ======================= Grid point 110 (55/89) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -13.650 0.000 14.770) 20.112 1.061 ( -13.172 0.000 15.283) 20.176 1.853 ( -17.373 0.000 18.968) 25.721 2.003 ( 9.288 -0.000 -1.121) 9.356 2.009 ( 1.417 -0.000 -3.921) 4.169 2.020 ( 1.654 -0.000 4.806) 5.083 2.232 ( -5.460 0.000 -3.172) 6.314 2.355 ( 5.006 -0.000 -6.744) 8.399 2.535 ( 2.519 -0.000 5.636) 6.173 2.604 ( -1.973 0.000 2.632) 3.289 2.629 ( 3.942 -0.000 3.736) 5.431 2.730 ( 3.003 -0.000 -0.606) 3.064 2.795 ( -3.421 0.000 2.682) 4.347 2.868 ( -3.832 0.000 0.524) 3.867 2.952 ( 4.465 -0.000 6.348) 7.761 2.973 ( -6.095 0.000 1.266) 6.225 3.061 ( 2.751 -0.000 8.580) 9.010 3.062 ( 5.746 -0.000 3.374) 6.663 3.322 ( -1.134 0.000 -2.994) 3.202 3.495 ( -2.738 0.000 -3.489) 4.436 3.666 ( 3.185 -0.000 -5.017) 5.943 3.687 ( -0.906 0.000 -3.038) 3.170 3.867 ( -0.181 0.000 -4.491) 4.495 3.904 ( -1.354 0.000 4.005) 4.228 3.997 ( 3.010 -0.000 -0.841) 3.126 4.150 ( 2.898 -0.000 5.593) 6.299 4.214 ( 0.169 -0.000 0.790) 0.808 4.217 ( -2.483 0.000 1.510) 2.906 4.254 ( 1.987 -0.000 -1.852) 2.716 4.292 ( 1.290 -0.000 2.362) 2.691 4.391 ( -3.024 0.000 -4.459) 5.388 4.490 ( 2.734 -0.000 -2.588) 3.765 4.540 ( 1.796 -0.000 -4.861) 5.182 4.616 ( -9.053 0.000 -3.235) 9.613 4.662 ( 3.323 -0.000 -6.523) 7.321 4.752 ( -2.842 0.000 -2.054) 3.507 5.305 ( 0.202 -0.000 14.046) 14.048 5.339 ( -2.064 0.000 1.548) 2.580 5.482 ( 3.901 -0.000 -4.518) 5.969 5.868 ( 2.125 -0.000 -3.252) 3.884 5.944 ( -4.227 0.000 -0.232) 4.233 5.998 ( 1.885 -0.000 0.945) 2.109 11.622 ( -0.513 0.000 1.111) 1.224 11.640 ( -1.545 0.000 2.269) 2.745 11.876 ( -1.217 0.000 -5.849) 5.974 11.944 ( 1.764 -0.000 2.057) 2.710 12.805 ( 15.431 -0.000 19.241) 24.664 13.983 ( -5.020 0.000 -3.984) 6.409 14.004 ( 2.253 -0.000 -2.335) 3.244 14.060 ( 0.742 -0.000 -4.912) 4.968 14.227 ( 2.028 -0.000 8.204) 8.451 15.656 ( -6.506 0.000 -22.502) 23.423 16.176 ( -5.466 0.000 5.973) 8.097 16.721 ( -1.975 0.000 -4.188) 4.630 ======================= Grid point 111 (56/89) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.356 -0.000 18.636) 18.640 1.269 ( 10.776 -0.000 19.389) 22.182 1.753 ( -4.871 0.000 -5.651) 7.461 1.905 ( -1.928 0.000 -9.250) 9.449 2.081 ( -0.941 0.000 -4.731) 4.824 2.119 ( 1.145 -0.000 4.041) 4.200 2.213 ( -2.442 0.000 20.355) 20.501 2.345 ( 4.232 -0.000 -6.897) 8.092 2.359 ( -8.208 0.000 -5.968) 10.148 2.643 ( -3.400 0.000 4.990) 6.038 2.682 ( 1.404 -0.000 3.498) 3.769 2.744 ( -0.656 0.000 0.580) 0.876 2.805 ( 1.490 -0.000 1.318) 1.990 2.824 ( 0.307 -0.000 0.651) 0.720 2.914 ( -4.803 0.000 -0.717) 4.857 3.055 ( 3.632 -0.000 -2.324) 4.312 3.213 ( 2.774 -0.000 -0.492) 2.817 3.252 ( -4.649 0.000 5.244) 7.007 3.417 ( 4.265 -0.000 -1.854) 4.650 3.491 ( 2.205 -0.000 8.497) 8.778 3.641 ( -0.427 0.000 -2.191) 2.232 3.643 ( 2.807 -0.000 -4.412) 5.229 3.749 ( -5.082 0.000 -5.036) 7.155 3.763 ( 1.213 -0.000 -4.133) 4.307 4.061 ( -3.540 0.000 1.695) 3.925 4.167 ( -2.415 0.000 -0.275) 2.431 4.212 ( 0.201 -0.000 -0.433) 0.478 4.248 ( 0.531 -0.000 0.459) 0.702 4.319 ( -1.812 0.000 1.412) 2.297 4.343 ( 1.538 -0.000 1.695) 2.289 4.375 ( 4.506 -0.000 -1.234) 4.672 4.466 ( 4.356 -0.000 -2.155) 4.860 4.479 ( 0.817 -0.000 -1.632) 1.825 4.504 ( 5.164 -0.000 -7.596) 9.185 4.632 ( -1.128 0.000 -1.228) 1.667 4.665 ( 1.458 -0.000 -1.836) 2.345 5.312 ( -3.168 0.000 2.843) 4.257 5.338 ( -7.075 0.000 4.931) 8.624 5.568 ( -0.386 0.000 5.386) 5.399 5.848 ( 2.221 -0.000 -4.484) 5.004 5.969 ( -0.377 0.000 4.469) 4.484 6.045 ( 0.314 -0.000 -0.156) 0.350 11.590 ( -4.307 0.000 2.044) 4.767 11.672 ( 1.046 -0.000 0.074) 1.049 11.783 ( 3.084 -0.000 -1.299) 3.346 11.845 ( -6.142 0.000 -2.133) 6.502 13.330 ( 1.400 -0.000 8.492) 8.607 13.743 ( -3.527 0.000 -11.639) 12.161 13.953 ( -5.130 0.000 -2.043) 5.522 14.011 ( 14.477 -0.000 -4.267) 15.092 14.630 ( 3.443 -0.000 15.232) 15.617 15.124 ( -9.679 0.000 -9.312) 13.431 16.275 ( 3.396 -0.000 6.716) 7.526 16.557 ( -0.925 0.000 -7.506) 7.562 ======================= Grid point 112 (57/89) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 3.484 -5.419 19.514) 20.550 1.430 ( 6.867 -4.164 16.145) 18.032 1.767 ( -0.302 -4.891 -5.816) 7.606 1.889 ( -4.803 -3.024 -9.932) 11.439 1.994 ( -3.048 5.029 -4.221) 7.239 2.172 ( 6.781 0.365 4.622) 8.214 2.248 ( 1.757 -3.221 10.045) 10.694 2.316 ( -2.228 -4.891 4.676) 7.124 2.403 ( 2.540 -0.599 -9.074) 9.442 2.594 ( -4.194 1.560 3.598) 5.742 2.679 ( -0.439 1.479 5.659) 5.865 2.751 ( 2.412 -1.297 1.674) 3.210 2.812 ( -2.281 -1.201 0.468) 2.620 2.836 ( 0.522 0.268 -0.617) 0.851 2.882 ( -0.717 -1.861 0.653) 2.098 3.043 ( -1.486 2.029 2.536) 3.571 3.174 ( -0.820 1.630 1.209) 2.189 3.242 ( -2.970 -0.491 0.871) 3.133 3.448 ( 1.626 -1.543 1.902) 2.940 3.543 ( -2.272 -3.841 5.454) 7.047 3.574 ( -1.545 3.315 -3.865) 5.320 3.698 ( 1.146 -1.146 -6.951) 7.137 3.736 ( 1.683 -0.091 -4.503) 4.808 3.833 ( 2.990 -3.453 -1.522) 4.814 3.988 ( -2.324 0.404 -0.102) 2.361 4.161 ( 0.216 3.473 0.394) 3.502 4.176 ( -1.981 -0.025 0.781) 2.129 4.226 ( -1.102 0.985 1.846) 2.365 4.348 ( 1.659 -1.909 1.254) 2.823 4.373 ( -0.313 -2.873 1.737) 3.372 4.399 ( 0.619 1.925 -0.484) 2.079 4.451 ( 1.650 3.240 -1.797) 4.056 4.550 ( 6.476 -0.694 -6.604) 9.276 4.611 ( 1.504 -2.284 -0.827) 2.857 4.660 ( 2.943 1.007 -3.155) 4.431 4.679 ( 5.892 -2.134 -8.724) 10.742 5.202 ( -8.760 3.194 7.858) 12.194 5.276 ( -5.012 -1.251 5.185) 7.320 5.549 ( -0.273 1.626 3.048) 3.465 5.861 ( 0.677 0.808 -2.006) 2.267 5.943 ( -1.455 1.713 3.296) 3.990 6.026 ( -0.136 1.810 -1.046) 2.095 11.573 ( -2.636 -4.655 4.622) 7.070 11.678 ( -2.861 0.595 0.218) 2.931 11.775 ( 0.122 -0.189 1.367) 1.386 11.880 ( 0.345 -6.529 -3.529) 7.430 13.185 ( 0.222 13.331 11.566) 17.651 13.547 ( -6.349 14.403 -12.249) 19.945 13.926 ( -3.984 -1.992 -3.803) 5.857 14.206 ( 16.699 2.807 -7.440) 18.496 14.773 ( -0.913 -11.890 11.466) 16.543 15.075 ( -8.340 -9.865 -4.121) 13.560 16.369 ( 3.085 -3.273 4.094) 6.082 16.585 ( 3.085 -2.828 -6.448) 7.687 ======================= Grid point 113 (58/89) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 2.913 -4.867 17.120) 18.035 1.590 ( 4.789 -5.769 8.795) 11.557 1.740 ( -5.970 4.971 2.348) 8.116 1.901 ( -0.646 -0.079 0.514) 0.830 1.972 ( 1.977 -6.806 -10.773) 12.895 2.200 ( 4.322 4.504 0.129) 6.244 2.312 ( 1.487 -0.683 -3.453) 3.821 2.372 ( -5.612 4.159 -1.223) 7.091 2.423 ( 0.576 -4.438 5.180) 6.845 2.556 ( 4.350 -2.340 -1.132) 5.067 2.713 ( -5.696 0.683 1.134) 5.847 2.765 ( 2.414 -9.064 10.209) 13.864 2.841 ( 0.952 -0.266 1.475) 1.776 2.858 ( 2.376 -1.683 0.855) 3.034 2.925 ( 0.294 -1.939 2.161) 2.918 3.020 ( 1.045 -0.094 2.970) 3.150 3.160 ( 1.533 -0.262 1.653) 2.269 3.198 ( -2.143 0.494 -0.574) 2.273 3.472 ( -1.997 3.460 0.833) 4.081 3.509 ( -8.378 -7.722 3.310) 11.865 3.574 ( 4.282 2.433 1.648) 5.194 3.697 ( 0.004 1.438 -7.939) 8.068 3.780 ( 3.275 -1.405 -3.825) 5.228 3.910 ( 1.673 -2.417 -1.165) 3.162 4.006 ( -0.576 -2.809 0.285) 2.881 4.083 ( -2.818 6.905 4.635) 8.781 4.103 ( 0.714 3.889 0.214) 3.960 4.220 ( -1.355 -2.272 -2.606) 3.714 4.325 ( -1.662 4.622 -2.794) 5.650 4.402 ( 2.817 0.576 0.581) 2.933 4.418 ( -1.474 -2.448 0.695) 2.941 4.450 ( 2.222 -0.423 -1.954) 2.989 4.588 ( 1.314 3.581 -0.232) 3.822 4.640 ( 0.162 -0.927 -2.195) 2.388 4.669 ( 4.607 -0.032 -1.844) 4.963 4.848 ( 3.145 -5.658 -7.039) 9.563 5.040 ( -4.748 3.121 4.412) 7.194 5.239 ( -4.938 -2.189 6.595) 8.524 5.526 ( 2.318 2.203 0.967) 3.341 5.812 ( -2.557 4.008 3.755) 6.059 5.911 ( -0.094 0.103 -3.582) 3.584 6.002 ( -0.300 0.586 -0.423) 0.782 11.587 ( -4.255 0.372 0.223) 4.277 11.703 ( 1.393 -7.975 7.054) 10.738 11.823 ( 1.838 -3.448 2.839) 4.830 11.977 ( -1.328 -4.665 -2.025) 5.256 13.023 ( 3.520 7.416 10.084) 13.002 13.173 ( -5.464 19.789 -14.076) 24.891 13.903 ( -5.345 -2.743 -3.865) 7.143 14.320 ( 10.845 4.737 -7.261) 13.885 14.952 ( -0.182 -10.518 5.710) 11.969 15.155 ( -6.195 -8.067 0.609) 10.190 16.423 ( 0.482 -1.328 -0.842) 1.644 16.709 ( 4.618 -4.210 -2.539) 6.745 ======================= Grid point 114 (59/89) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -6.356 8.490 10.941) 15.238 1.567 ( 3.689 -1.934 8.602) 9.557 1.727 ( 4.704 -3.428 1.985) 6.150 1.879 ( -3.563 0.213 10.216) 10.821 2.102 ( 1.196 -3.537 -5.545) 6.685 2.170 ( -0.210 2.338 -2.861) 3.701 2.227 ( 2.766 3.032 -2.606) 4.861 2.341 ( -4.714 -1.025 -7.441) 8.868 2.499 ( 3.035 -1.725 -0.864) 3.596 2.626 ( 4.364 0.091 -0.306) 4.376 2.660 ( -1.759 -1.982 1.678) 3.136 2.854 ( -1.094 -0.672 3.072) 3.329 2.878 ( -1.434 -0.298 1.991) 2.472 2.912 ( -1.055 -4.602 2.339) 5.269 2.950 ( 0.750 0.907 7.239) 7.334 3.035 ( -0.144 -0.723 2.283) 2.399 3.171 ( -0.963 1.749 0.537) 2.068 3.239 ( 2.217 -3.448 -4.349) 5.976 3.406 ( 2.472 6.334 4.693) 8.261 3.504 ( -1.546 -2.374 3.801) 4.741 3.581 ( -0.027 -1.132 6.599) 6.696 3.658 ( -2.144 1.187 -4.327) 4.973 3.831 ( -0.832 2.213 -4.414) 5.008 3.934 ( -0.330 -0.142 2.902) 2.925 3.967 ( 1.047 0.716 -0.512) 1.368 4.029 ( -0.939 -0.212 -0.374) 1.033 4.090 ( 4.486 -0.247 -0.525) 4.523 4.227 ( -2.614 2.225 -2.851) 4.462 4.259 ( -0.022 -2.404 -4.609) 5.198 4.403 ( 0.442 1.886 -0.627) 2.036 4.434 ( 0.353 -0.537 -1.472) 1.607 4.462 ( -0.711 -0.113 -0.402) 0.825 4.552 ( 0.027 1.512 1.780) 2.336 4.630 ( -2.066 0.022 -0.190) 2.075 4.714 ( 0.484 0.545 -1.346) 1.530 4.788 ( -4.852 5.770 5.319) 9.226 5.117 ( 6.153 -5.155 -7.892) 11.257 5.252 ( -2.639 -5.927 5.871) 8.750 5.545 ( 3.935 0.747 1.399) 4.243 5.713 ( -2.226 2.703 2.126) 4.097 5.923 ( 1.042 -0.623 -4.243) 4.413 5.993 ( -1.209 -0.342 0.644) 1.412 11.551 ( -1.179 -0.762 0.218) 1.421 11.800 ( 1.186 -0.064 4.499) 4.653 11.921 ( -4.014 -3.390 1.385) 5.434 12.027 ( 3.837 -5.445 6.757) 9.489 12.795 ( -2.656 15.890 -10.604) 19.287 13.104 ( 4.977 -8.811 0.687) 10.143 13.883 ( -4.499 -2.522 -3.769) 6.388 14.320 ( 3.860 6.575 -5.290) 9.280 15.092 ( 2.448 -3.473 0.272) 4.258 15.143 ( -5.084 0.181 5.839) 7.744 16.443 ( 0.587 -0.257 -2.976) 3.044 16.782 ( 0.699 0.309 -1.907) 2.054 ======================= Grid point 115 (60/89) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.962 9.552 16.490) 19.286 1.533 ( -2.289 7.990 9.881) 12.912 1.824 ( 2.700 -0.624 -2.319) 3.613 1.879 ( -0.159 -6.882 10.996) 12.974 2.097 ( -0.171 4.864 -4.890) 6.899 2.162 ( -0.413 0.304 -11.872) 11.883 2.205 ( 2.016 3.892 -0.974) 4.490 2.341 ( -2.218 -6.589 -4.478) 8.269 2.541 ( 0.907 0.732 3.069) 3.283 2.677 ( 0.442 -0.349 2.012) 2.089 2.714 ( 2.135 -2.533 -0.523) 3.354 2.793 ( -4.738 1.276 5.580) 7.430 2.830 ( -4.117 1.550 2.030) 4.845 2.894 ( -0.950 4.213 1.166) 4.473 2.985 ( 0.281 -3.200 2.686) 4.188 3.025 ( 1.416 1.940 1.622) 2.898 3.092 ( -3.538 2.755 1.781) 4.825 3.264 ( -1.350 -0.147 2.958) 3.254 3.345 ( 3.609 3.178 -0.539) 4.839 3.481 ( 2.394 4.434 4.380) 6.677 3.631 ( 1.118 0.806 -3.805) 4.047 3.676 ( -0.410 -3.919 3.525) 5.287 3.733 ( -1.794 1.860 -4.912) 5.551 3.950 ( 1.302 0.144 4.280) 4.476 3.995 ( 0.009 -2.013 0.644) 2.114 4.076 ( 2.394 -1.915 -4.046) 5.077 4.165 ( -1.924 -1.005 2.937) 3.652 4.185 ( 4.551 -1.519 -3.045) 5.683 4.285 ( 0.444 0.200 -5.872) 5.893 4.366 ( -0.564 0.758 -0.152) 0.957 4.447 ( -1.517 -1.553 -1.245) 2.502 4.461 ( 1.906 1.271 -0.652) 2.382 4.533 ( -3.939 0.653 1.361) 4.218 4.576 ( -1.945 4.824 2.825) 5.919 4.604 ( -2.292 2.828 0.273) 3.650 4.716 ( -2.047 0.479 -1.953) 2.870 5.258 ( 3.053 -4.598 -1.991) 5.868 5.341 ( 0.469 -4.830 -1.044) 4.964 5.558 ( -0.854 0.257 9.782) 9.823 5.720 ( 3.896 -1.843 -5.000) 6.601 5.951 ( 1.244 -0.674 -2.562) 2.927 5.984 ( -1.564 -1.346 1.800) 2.738 11.579 ( 1.405 -1.808 0.684) 2.390 11.750 ( -1.340 4.709 5.117) 7.082 11.884 ( -3.613 -0.693 -0.432) 3.704 12.085 ( 0.315 7.183 -3.729) 8.099 12.723 ( 5.222 -8.575 5.331) 11.367 13.393 ( 2.640 -17.987 -6.144) 19.189 13.873 ( -1.106 -0.948 -3.114) 3.438 14.214 ( -2.278 6.793 -2.486) 7.584 14.973 ( 2.078 15.360 6.975) 16.997 15.181 ( -0.878 -4.037 -3.105) 5.168 16.435 ( 0.774 2.982 -2.882) 4.219 16.712 ( -4.025 4.685 -2.475) 6.654 ======================= Grid point 116 (61/89) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 4.596 5.788 19.745) 21.083 1.342 ( -3.337 8.368 15.942) 18.312 1.837 ( -2.386 0.554 -5.298) 5.837 1.960 ( -3.207 4.500 -5.014) 7.461 2.017 ( 3.646 -4.403 -0.213) 5.720 2.120 ( -0.926 0.920 -2.196) 2.555 2.237 ( 5.755 2.349 -3.109) 6.950 2.379 ( -8.234 -1.490 5.701) 10.125 2.455 ( -5.656 1.065 1.887) 6.057 2.670 ( -1.722 0.119 1.771) 2.473 2.709 ( -1.198 1.771 5.323) 5.737 2.742 ( -3.712 -1.932 1.271) 4.374 2.799 ( 0.106 2.417 -0.698) 2.518 2.825 ( 1.639 0.761 0.347) 1.840 2.979 ( -2.941 1.265 0.849) 3.312 3.016 ( 2.648 1.801 -1.937) 3.743 3.116 ( 3.306 -4.721 2.227) 6.179 3.278 ( 0.967 -0.766 6.888) 6.997 3.370 ( 1.589 -1.003 -4.340) 4.730 3.463 ( 6.162 3.973 5.185) 8.980 3.620 ( 0.426 1.805 -2.388) 3.023 3.658 ( 0.678 0.921 -1.471) 1.863 3.751 ( -0.968 -1.411 -4.892) 5.182 3.895 ( -6.546 5.575 -2.170) 8.868 4.015 ( 0.812 -4.999 4.237) 6.603 4.140 ( 1.568 -3.467 -3.968) 5.498 4.220 ( -0.150 -2.946 4.507) 5.386 4.250 ( -0.263 -0.863 0.166) 0.917 4.275 ( 6.941 3.039 -5.233) 9.208 4.361 ( -2.411 6.711 1.763) 7.346 4.406 ( 1.379 -2.842 -2.193) 3.846 4.435 ( -0.826 1.669 0.304) 1.887 4.460 ( -0.745 0.194 -0.773) 1.091 4.513 ( -0.505 3.503 -3.012) 4.647 4.617 ( -0.230 -3.499 -0.807) 3.598 4.676 ( -2.224 0.877 -1.398) 2.769 5.325 ( -1.063 -2.023 1.225) 2.593 5.388 ( -2.012 -1.494 -1.139) 2.753 5.557 ( -0.215 -1.098 9.440) 9.506 5.803 ( 3.733 -1.240 -5.609) 6.851 5.962 ( -0.388 -0.792 2.514) 2.664 6.016 ( 0.708 -2.212 0.448) 2.365 11.614 ( 0.222 -0.108 1.881) 1.897 11.685 ( -0.021 1.052 3.644) 3.793 11.819 ( -2.672 4.378 -4.583) 6.879 11.934 ( -2.935 4.554 -4.238) 6.878 13.074 ( 8.650 -17.803 11.197) 22.740 13.667 ( -2.150 -13.071 -11.592) 17.602 13.900 ( 5.064 0.283 -2.073) 5.479 14.066 ( -6.089 3.979 -0.641) 7.302 14.730 ( 4.703 17.181 11.399) 21.148 15.208 ( -2.873 -1.262 -9.485) 9.990 16.337 ( -0.605 7.962 2.969) 8.519 16.597 ( -3.614 1.667 -5.357) 6.673 ======================= Grid point 118 (62/89) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 8.167 -0.000 18.959) 20.643 1.461 ( 3.300 -0.000 16.326) 16.656 1.760 ( 5.291 -0.000 -9.019) 10.456 1.819 ( -1.697 0.000 -10.176) 10.316 2.037 ( -0.223 0.000 -4.629) 4.634 2.227 ( 2.458 -0.000 11.102) 11.371 2.253 ( -2.169 0.000 -4.645) 5.126 2.263 ( 9.144 -0.000 16.134) 18.545 2.433 ( 1.560 -0.000 -5.631) 5.844 2.568 ( -1.797 0.000 2.794) 3.322 2.693 ( -1.431 0.000 3.899) 4.154 2.775 ( 0.305 -0.000 3.472) 3.485 2.799 ( 0.494 -0.000 1.112) 1.217 2.843 ( 1.236 -0.000 -1.141) 1.682 2.858 ( 1.170 -0.000 1.571) 1.958 3.012 ( -4.570 0.000 3.591) 5.813 3.129 ( -3.061 0.000 -0.401) 3.087 3.207 ( -2.971 0.000 -1.757) 3.451 3.341 ( -8.817 0.000 8.554) 12.285 3.562 ( -1.275 0.000 -3.843) 4.050 3.609 ( 5.094 -0.000 -9.336) 10.635 3.706 ( 2.371 -0.000 -4.530) 5.113 3.757 ( 1.500 -0.000 -1.970) 2.476 3.853 ( 4.001 -0.000 0.287) 4.012 3.946 ( -3.310 0.000 -1.294) 3.554 4.133 ( -0.462 0.000 -0.126) 0.479 4.212 ( -0.746 0.000 1.014) 1.259 4.264 ( 0.713 -0.000 2.882) 2.969 4.288 ( -0.878 0.000 1.398) 1.651 4.385 ( 2.145 -0.000 1.850) 2.833 4.438 ( 0.945 -0.000 1.225) 1.547 4.499 ( 1.134 -0.000 -2.609) 2.845 4.599 ( 4.168 -0.000 -4.566) 6.183 4.611 ( 1.193 -0.000 0.786) 1.429 4.695 ( 5.871 -0.000 -13.105) 14.360 4.757 ( 2.908 -0.000 -3.115) 4.262 5.118 ( -8.506 0.000 11.247) 14.101 5.189 ( -5.884 0.000 3.395) 6.794 5.568 ( 1.569 -0.000 1.049) 1.887 5.863 ( -1.074 0.000 -0.872) 1.384 5.931 ( -3.104 0.000 5.355) 6.190 6.033 ( -1.143 0.000 -2.424) 2.680 11.496 ( -2.211 0.000 3.540) 4.173 11.675 ( -0.515 0.000 0.422) 0.666 11.700 ( -4.385 0.000 -0.518) 4.416 11.891 ( 4.385 -0.000 1.874) 4.768 13.261 ( -4.034 0.000 12.991) 13.603 13.574 ( -7.388 0.000 -10.364) 12.728 13.921 ( 1.114 -0.000 -4.688) 4.819 14.499 ( 19.604 -0.000 -14.572) 24.427 14.633 ( -2.444 0.000 14.793) 14.993 14.787 ( -15.514 0.000 -3.858) 15.986 16.438 ( 7.797 -0.000 5.875) 9.763 16.596 ( 3.753 -0.000 -7.432) 8.326 ======================= Grid point 119 (63/89) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 6.669 -0.887 16.957) 18.243 1.572 ( 6.218 -4.908 11.513) 13.975 1.789 ( 3.172 2.641 -3.991) 5.742 1.911 ( 5.916 -5.549 -7.677) 11.168 1.975 ( 0.756 5.681 -0.892) 5.800 2.247 ( -2.052 -2.258 -3.010) 4.286 2.287 ( 0.962 0.554 5.322) 5.437 2.371 ( 2.608 -2.370 4.577) 5.776 2.419 ( -1.078 2.731 1.304) 3.213 2.565 ( 2.909 -1.327 2.584) 4.111 2.662 ( -0.281 -0.159 1.589) 1.621 2.714 ( -2.202 1.381 0.077) 2.600 2.826 ( -2.340 -0.775 4.870) 5.458 2.878 ( 2.679 -0.023 2.250) 3.498 2.930 ( 5.748 -1.737 2.216) 6.401 3.009 ( -0.430 -3.990 4.275) 5.864 3.126 ( -1.953 -1.518 -2.355) 3.416 3.153 ( -2.412 -0.687 3.184) 4.053 3.306 ( -3.918 -6.040 1.499) 7.354 3.495 ( -3.096 2.147 -5.045) 6.297 3.677 ( 4.073 1.544 -4.478) 6.247 3.701 ( -1.501 0.623 -5.691) 5.919 3.796 ( 3.646 -1.324 -2.521) 4.626 3.902 ( 1.126 -1.010 0.010) 1.513 3.950 ( 0.106 -2.552 0.045) 2.555 4.133 ( -0.839 0.111 -0.783) 1.153 4.154 ( -3.231 4.309 2.615) 5.987 4.210 ( 0.964 2.668 2.033) 3.490 4.335 ( -1.613 -2.910 1.560) 3.675 4.390 ( -0.431 3.152 -2.601) 4.110 4.441 ( 2.931 -0.018 5.011) 5.805 4.489 ( 0.058 1.542 -1.670) 2.274 4.626 ( 1.232 0.459 -0.162) 1.325 4.663 ( 2.713 -1.162 -3.610) 4.663 4.718 ( -0.935 3.506 -0.210) 3.635 4.797 ( 1.834 -3.715 -8.267) 9.247 5.020 ( -3.366 0.667 6.009) 6.920 5.139 ( -4.537 -1.541 2.099) 5.231 5.592 ( 3.857 1.453 -0.450) 4.146 5.827 ( -3.351 2.081 2.958) 4.930 5.886 ( -2.806 -0.896 2.314) 3.745 6.006 ( -1.297 0.923 -3.046) 3.437 11.526 ( -0.467 -4.017 3.466) 5.326 11.628 ( 0.037 -0.509 2.886) 2.931 11.746 ( -1.771 -5.627 0.259) 5.905 11.944 ( 2.785 -0.977 1.121) 3.157 13.148 ( -3.270 6.706 13.497) 15.422 13.380 ( -5.275 13.386 -11.510) 18.425 13.887 ( 1.029 3.039 -3.012) 4.401 14.567 ( 6.898 4.957 -7.306) 11.204 14.764 ( 1.260 -11.154 -1.646) 11.345 14.787 ( -10.399 -14.340 1.913) 17.817 16.504 ( 6.684 2.788 1.634) 7.424 16.692 ( 4.161 -4.137 -3.151) 6.660 ======================= Grid point 120 (64/89) ======================= q-point: ( 0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 7.145 -3.550 11.639) 14.111 1.643 ( 1.579 6.000 10.340) 12.059 1.805 ( 8.030 2.403 2.810) 8.841 1.903 ( -0.928 4.833 4.410) 6.608 2.040 ( 1.292 -3.253 -2.544) 4.326 2.190 ( -2.946 1.411 -4.581) 5.626 2.265 ( -0.777 -0.293 -2.398) 2.538 2.363 ( 3.502 5.253 -5.784) 8.562 2.485 ( 3.459 -4.776 3.208) 6.713 2.637 ( -3.346 -5.499 -1.934) 6.722 2.645 ( -0.670 0.861 3.356) 3.529 2.723 ( -0.901 -2.669 3.039) 4.144 2.821 ( -0.906 -3.198 4.692) 5.750 2.897 ( 1.243 0.872 3.097) 3.449 2.985 ( -0.542 -2.180 2.796) 3.587 3.011 ( -0.108 3.052 3.633) 4.746 3.150 ( -2.000 -0.695 1.732) 2.735 3.214 ( 1.962 -4.358 -4.972) 6.896 3.420 ( 1.627 -8.226 -1.041) 8.450 3.462 ( 0.376 -0.928 0.563) 1.149 3.624 ( -1.449 3.398 -0.957) 3.816 3.697 ( 3.433 3.275 0.148) 4.747 3.866 ( 2.078 0.554 -3.106) 3.778 3.922 ( -0.243 -0.673 0.035) 0.717 3.967 ( -1.211 -1.213 -0.909) 1.940 4.026 ( -1.707 4.551 5.524) 7.358 4.124 ( 0.543 -0.606 -2.820) 2.935 4.211 ( -2.255 -1.456 1.210) 2.945 4.279 ( -0.485 4.189 -2.113) 4.717 4.367 ( -1.386 -1.300 0.042) 1.900 4.437 ( -1.793 2.966 -2.087) 4.045 4.490 ( 3.003 -0.263 3.047) 4.286 4.618 ( -2.002 4.332 1.599) 5.033 4.639 ( 2.866 0.731 -0.514) 3.002 4.696 ( -1.308 -0.640 -3.040) 3.371 4.815 ( -1.591 2.480 1.994) 3.558 5.072 ( -0.973 -8.260 1.188) 8.402 5.131 ( 0.824 -1.943 -4.054) 4.571 5.601 ( 1.009 2.352 3.485) 4.324 5.738 ( -1.138 2.645 -0.163) 2.884 5.896 ( -1.309 -2.685 0.999) 3.150 5.978 ( -1.027 0.557 -2.905) 3.131 11.551 ( 1.552 0.057 1.327) 2.043 11.748 ( 2.028 -8.142 6.843) 10.827 11.799 ( -2.544 -4.365 1.075) 5.165 12.000 ( 1.798 -2.406 2.279) 3.770 13.027 ( -4.719 -0.063 4.260) 6.358 13.048 ( -2.644 18.421 -10.920) 21.576 13.896 ( 5.223 1.458 0.181) 5.425 14.525 ( 3.379 9.726 -12.734) 16.376 14.877 ( -9.023 -12.917 9.236) 18.264 14.984 ( -0.540 -13.225 -2.053) 13.395 16.537 ( 6.798 3.633 -1.268) 7.811 16.778 ( 0.292 -1.638 -1.589) 2.300 ======================= Grid point 121 (65/89) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.254 10.706 14.863) 18.456 1.691 ( -1.177 11.594 12.453) 17.055 1.762 ( 3.156 -5.657 9.493) 11.493 1.912 ( 6.085 1.382 -2.485) 6.716 2.088 ( -2.409 -4.498 -1.148) 5.230 2.174 ( 0.973 1.911 -9.493) 9.732 2.231 ( -4.200 1.398 -4.643) 6.415 2.332 ( 5.271 3.742 -10.865) 12.642 2.553 ( -1.441 0.640 2.573) 3.018 2.626 ( -4.960 -2.834 3.043) 6.473 2.647 ( -4.735 -4.293 5.960) 8.739 2.782 ( 6.602 -0.391 1.242) 6.729 2.874 ( 0.047 1.515 3.801) 4.092 2.906 ( 0.820 -3.199 7.640) 8.323 2.943 ( -2.150 3.183 -1.982) 4.323 3.034 ( 0.136 -0.842 1.402) 1.641 3.083 ( -3.244 -0.063 0.222) 3.252 3.239 ( -1.733 1.741 -1.666) 2.968 3.456 ( -1.318 2.048 4.835) 5.413 3.539 ( 1.593 -3.240 0.491) 3.644 3.601 ( 4.657 0.240 -1.700) 4.964 3.687 ( -0.574 2.638 0.623) 2.771 3.793 ( 1.645 5.243 -2.099) 5.882 3.956 ( 1.202 -1.837 2.605) 3.407 3.983 ( 0.107 0.406 1.611) 1.665 4.031 ( 1.124 -4.975 -0.726) 5.152 4.134 ( -3.508 -0.023 -2.425) 4.265 4.190 ( 0.109 -1.913 1.460) 2.409 4.285 ( 1.738 -1.547 -3.201) 3.958 4.369 ( -0.977 -0.669 0.482) 1.278 4.379 ( -1.011 -0.047 -3.021) 3.186 4.521 ( -1.676 2.886 -1.310) 3.585 4.525 ( 2.450 2.293 1.507) 3.678 4.643 ( -2.528 3.618 1.792) 4.764 4.664 ( 1.126 2.361 -1.511) 3.021 4.729 ( 1.873 4.739 -2.937) 5.882 5.153 ( -4.402 -7.906 4.970) 10.323 5.260 ( 3.526 -5.983 -6.472) 9.493 5.539 ( -3.787 1.181 9.686) 10.467 5.751 ( 3.762 -0.684 -4.364) 5.802 5.922 ( -2.131 -2.690 1.626) 3.797 5.965 ( 0.671 0.390 -2.893) 2.995 11.594 ( 4.107 -0.664 1.713) 4.500 11.781 ( -3.856 -0.944 0.814) 4.053 11.843 ( -0.245 2.288 6.679) 7.064 12.093 ( 0.402 -5.298 3.147) 6.175 12.783 ( 2.430 9.663 -6.677) 11.994 13.087 ( -5.656 -14.905 -5.474) 16.856 13.948 ( 8.206 2.728 1.576) 8.790 14.335 ( -3.862 11.517 -8.271) 14.695 14.980 ( -4.087 -7.997 8.637) 12.460 15.139 ( 1.224 -4.981 -2.806) 5.847 16.553 ( 6.521 4.888 -2.259) 8.457 16.730 ( -4.900 3.797 -2.285) 6.607 ======================= Grid point 122 (66/89) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.580 8.276 16.294) 18.841 1.488 ( -0.097 9.900 18.241) 20.755 1.852 ( -0.042 0.946 1.893) 2.117 1.937 ( 1.392 0.020 -5.365) 5.542 2.072 ( -5.434 5.248 -10.001) 12.534 2.099 ( -1.699 -1.094 -1.313) 2.410 2.221 ( 0.981 -3.480 -0.042) 3.616 2.363 ( 5.239 1.784 -9.804) 11.258 2.464 ( -4.073 4.877 8.206) 10.379 2.605 ( -6.393 -5.301 2.684) 8.728 2.691 ( 2.951 1.880 3.503) 4.952 2.765 ( 0.335 4.633 6.423) 7.927 2.846 ( -0.643 3.340 -4.180) 5.389 2.885 ( 2.365 2.568 0.249) 3.500 2.925 ( -5.579 -0.227 5.157) 7.601 3.010 ( -0.574 -2.531 4.489) 5.185 3.111 ( 2.905 -1.329 2.253) 3.908 3.241 ( -1.163 -3.806 -1.022) 4.109 3.416 ( 3.544 2.432 2.053) 4.763 3.580 ( -2.414 1.310 1.275) 3.028 3.623 ( 2.526 -0.064 1.422) 2.900 3.686 ( 3.481 0.849 -3.655) 5.119 3.740 ( -1.628 1.275 -1.952) 2.844 3.909 ( -4.166 4.206 -4.135) 7.221 3.997 ( 1.062 0.496 1.566) 1.956 4.093 ( -0.056 -3.092 -1.433) 3.408 4.147 ( -1.428 -4.457 4.904) 6.779 4.240 ( 1.626 -1.918 0.710) 2.613 4.350 ( -0.986 -0.403 -0.238) 1.091 4.357 ( 1.805 -1.773 -1.341) 2.864 4.397 ( -1.752 -1.507 -1.774) 2.914 4.463 ( 2.401 2.776 -6.432) 7.406 4.498 ( 0.589 6.000 0.023) 6.029 4.564 ( 1.981 -2.510 1.868) 3.703 4.638 ( 0.988 2.547 -1.266) 3.011 4.707 ( 4.576 5.145 -7.684) 10.318 5.217 ( -5.691 -6.443 5.123) 10.007 5.331 ( -2.092 -1.038 0.870) 2.493 5.518 ( -1.358 -2.582 6.899) 7.490 5.817 ( 2.429 -1.981 -2.550) 4.041 5.930 ( -1.710 -1.822 0.338) 2.522 5.988 ( 1.164 -1.507 -0.591) 1.994 11.652 ( 3.188 1.269 3.490) 4.894 11.715 ( -3.051 2.743 3.555) 5.429 11.775 ( -2.084 1.210 1.992) 3.127 12.045 ( -2.781 8.006 -6.026) 10.399 12.888 ( 6.432 -12.731 7.876) 16.294 13.321 ( -5.654 -20.612 -11.583) 24.310 14.024 ( 8.906 1.364 -0.996) 9.064 14.097 ( -5.341 8.308 -4.692) 10.935 14.961 ( -1.184 7.135 8.678) 11.297 15.198 ( 1.329 0.465 -3.861) 4.110 16.491 ( -0.955 9.525 0.779) 9.604 16.604 ( -0.088 3.016 -5.177) 5.992 ======================= Grid point 125 (67/89) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 5.186 -0.000 12.408) 13.448 1.623 ( 10.676 -0.000 13.137) 16.928 1.884 ( 5.104 -0.000 -1.816) 5.417 1.931 ( 7.624 -0.000 -3.407) 8.351 2.028 ( -1.468 0.000 -0.803) 1.673 2.251 ( 2.455 -0.000 -3.014) 3.887 2.272 ( -2.510 0.000 8.246) 8.620 2.364 ( -3.352 0.000 8.097) 8.763 2.399 ( -2.264 0.000 -3.127) 3.861 2.596 ( 3.365 -0.000 -1.824) 3.827 2.694 ( 4.431 -0.000 1.393) 4.644 2.757 ( 1.412 -0.000 -1.546) 2.094 2.780 ( -4.857 0.000 2.970) 5.693 2.851 ( 1.117 -0.000 0.256) 1.146 2.972 ( 0.742 -0.000 3.736) 3.809 3.036 ( 11.558 -0.000 7.677) 13.875 3.065 ( -7.227 0.000 6.089) 9.450 3.131 ( 1.349 -0.000 -2.202) 2.582 3.229 ( -0.633 0.000 -2.845) 2.915 3.458 ( -3.993 0.000 -8.855) 9.714 3.648 ( -4.970 0.000 -5.349) 7.302 3.737 ( 2.519 -0.000 -7.051) 7.487 3.840 ( 4.114 -0.000 -0.315) 4.126 3.914 ( 0.626 -0.000 1.559) 1.680 3.934 ( 1.606 -0.000 -0.072) 1.608 4.113 ( -1.600 0.000 -1.055) 1.916 4.146 ( -3.327 0.000 2.536) 4.184 4.256 ( -2.859 0.000 6.247) 6.871 4.279 ( -0.110 0.000 1.609) 1.612 4.413 ( 0.236 -0.000 -2.689) 2.699 4.475 ( 1.890 -0.000 6.884) 7.139 4.510 ( 1.519 -0.000 0.434) 1.579 4.645 ( -0.307 0.000 0.882) 0.934 4.674 ( 1.559 -0.000 -3.030) 3.408 4.731 ( -2.254 0.000 -4.142) 4.715 4.750 ( -3.399 0.000 -1.637) 3.772 4.991 ( -0.735 0.000 5.097) 5.150 5.107 ( 0.954 -0.000 -6.408) 6.478 5.671 ( 5.694 -0.000 -2.048) 6.051 5.802 ( -3.400 0.000 2.324) 4.118 5.818 ( -5.388 0.000 6.245) 8.248 5.994 ( -1.548 0.000 -4.509) 4.767 11.499 ( 2.217 -0.000 3.447) 4.098 11.654 ( 1.076 -0.000 2.732) 2.937 11.661 ( -0.530 0.000 0.419) 0.675 11.963 ( 0.642 -0.000 0.673) 0.930 13.170 ( -3.968 0.000 17.015) 17.472 13.443 ( -1.691 0.000 -9.756) 9.901 13.954 ( 1.151 -0.000 -3.374) 3.565 14.402 ( -13.329 0.000 -5.891) 14.573 14.557 ( -3.374 0.000 13.489) 13.905 14.902 ( 12.105 -0.000 -20.471) 23.782 16.607 ( 4.437 -0.000 5.161) 6.806 16.706 ( 4.244 -0.000 -4.492) 6.180 ======================= Grid point 126 (68/89) ======================= q-point: ( 0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 5.576 -1.023 10.603) 12.024 1.755 ( 6.236 1.012 8.595) 10.667 1.922 ( 2.365 0.629 2.200) 3.290 1.953 ( -2.115 4.000 3.745) 5.874 2.054 ( 4.457 -0.641 3.304) 5.585 2.176 ( -2.355 2.580 -0.985) 3.629 2.277 ( -2.400 -3.050 4.937) 6.279 2.342 ( -3.614 -3.854 0.541) 5.311 2.463 ( 4.475 -4.273 -1.404) 6.345 2.560 ( 0.081 7.625 -8.786) 11.634 2.697 ( -2.525 3.413 5.515) 6.959 2.732 ( 4.058 -0.032 -0.659) 4.112 2.787 ( 2.977 -1.745 2.389) 4.197 2.920 ( 0.476 -0.787 -0.297) 0.966 2.968 ( -2.824 1.357 5.930) 6.706 3.022 ( 1.064 -2.415 3.050) 4.033 3.130 ( 1.740 -0.936 1.562) 2.519 3.163 ( -1.142 -1.139 -1.233) 2.031 3.310 ( 3.678 -7.618 -3.751) 9.254 3.426 ( -2.089 -0.829 -7.884) 8.198 3.621 ( -0.193 -2.424 -2.678) 3.617 3.759 ( -0.020 -0.288 -3.567) 3.579 3.882 ( 1.192 -0.972 0.388) 1.586 3.907 ( 0.194 -0.196 -0.363) 0.456 3.967 ( 1.792 1.221 0.768) 2.300 4.082 ( -1.995 -0.015 0.039) 1.995 4.115 ( -0.225 0.998 2.066) 2.306 4.160 ( -4.239 4.203 8.137) 10.092 4.289 ( -1.116 -0.837 0.429) 1.459 4.392 ( 0.708 2.811 -1.565) 3.294 4.488 ( -0.777 3.831 1.692) 4.259 4.509 ( 1.914 -0.762 4.498) 4.947 4.616 ( -1.950 0.102 -0.640) 2.055 4.669 ( -1.387 0.267 0.883) 1.666 4.696 ( 0.742 0.555 -2.916) 3.060 4.771 ( -3.445 -5.111 0.141) 6.165 4.994 ( 1.766 1.093 1.326) 2.464 5.144 ( 3.967 -0.925 -10.008) 10.805 5.651 ( -2.905 4.885 6.350) 8.523 5.766 ( 0.591 0.797 -0.649) 1.186 5.817 ( -1.102 -3.955 1.470) 4.361 5.975 ( -0.679 0.201 -4.406) 4.463 11.567 ( 3.361 -2.489 2.282) 4.764 11.676 ( 1.502 -3.267 2.494) 4.376 11.715 ( 1.229 -3.243 2.801) 4.458 11.972 ( -0.830 -2.190 -0.632) 2.426 13.025 ( -6.273 8.090 12.432) 16.104 13.314 ( 0.598 15.180 -9.165) 17.742 13.974 ( 5.457 -2.123 0.036) 5.856 14.425 ( -11.455 -14.018 -7.563) 19.619 14.586 ( -3.636 -8.687 10.917) 14.418 14.979 ( 8.680 4.393 -16.648) 19.282 16.647 ( 3.040 0.139 2.786) 4.126 16.756 ( 0.921 -0.527 -2.014) 2.276 ======================= Grid point 127 (69/89) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -2.037 4.374 10.895) 11.916 1.718 ( -0.480 4.881 12.171) 13.122 1.888 ( 3.381 0.118 1.366) 3.649 1.973 ( -6.128 4.055 6.877) 10.064 1.990 ( 3.083 -1.367 1.713) 3.783 2.191 ( 2.313 1.905 -8.305) 8.829 2.319 ( -2.817 2.387 -3.027) 4.775 2.339 ( -4.462 -8.073 5.901) 10.950 2.456 ( 2.107 4.580 -13.854) 14.743 2.560 ( 1.099 0.832 2.940) 3.247 2.658 ( 3.686 -1.198 6.920) 7.931 2.816 ( 3.057 -4.597 1.961) 5.859 2.843 ( -0.109 -1.556 3.921) 4.220 2.915 ( -2.375 -0.360 4.859) 5.420 2.940 ( 0.812 -0.872 -0.665) 1.364 3.021 ( 0.078 1.851 -0.770) 2.006 3.077 ( -0.657 3.410 -0.163) 3.476 3.262 ( 1.287 -3.018 -2.940) 4.405 3.334 ( -5.230 -2.164 0.897) 5.731 3.536 ( 4.137 -5.937 -4.992) 8.791 3.676 ( 3.369 0.306 -1.222) 3.596 3.712 ( -3.283 2.678 0.567) 4.275 3.909 ( -1.118 4.798 1.451) 5.135 3.925 ( 0.034 -3.003 -0.696) 3.083 3.947 ( 0.367 -1.879 1.555) 2.466 4.023 ( -1.061 3.178 6.887) 7.659 4.074 ( -3.530 -0.529 -2.929) 4.618 4.149 ( 3.413 -2.441 3.382) 5.389 4.293 ( 0.330 -0.601 -1.853) 1.976 4.347 ( -1.341 1.864 -2.635) 3.495 4.427 ( 0.256 2.393 2.009) 3.135 4.529 ( 1.189 0.238 0.300) 1.249 4.595 ( 0.391 2.783 -1.890) 3.387 4.650 ( -1.131 0.468 1.842) 2.212 4.693 ( -0.614 1.444 -1.176) 1.961 4.811 ( -0.427 -4.194 -0.157) 4.219 5.002 ( 0.790 -0.296 0.353) 0.915 5.234 ( 4.408 -3.111 -8.322) 9.918 5.526 ( -4.079 3.796 9.309) 10.849 5.769 ( -0.521 -0.898 1.841) 2.113 5.864 ( 0.597 -1.661 -3.402) 3.833 5.977 ( 0.981 -0.252 -2.754) 2.934 11.645 ( 4.642 -0.896 2.036) 5.147 11.700 ( -3.809 -1.318 -0.821) 4.113 11.846 ( 4.523 -5.894 7.863) 10.817 12.022 ( -0.349 -3.506 0.343) 3.540 12.847 ( -8.181 -0.837 2.193) 8.511 13.050 ( 3.740 17.276 -8.151) 19.465 14.094 ( 7.991 0.811 3.804) 8.888 14.377 ( -12.002 2.165 -8.821) 15.051 14.764 ( 0.244 -15.136 5.853) 16.230 15.063 ( 5.364 -3.973 -7.396) 9.963 16.677 ( -0.151 -0.195 0.216) 0.329 16.723 ( -0.951 3.866 -1.269) 4.178 ======================= Grid point 128 (70/89) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -1.385 6.280 14.427) 15.795 1.631 ( 1.488 5.036 9.889) 11.196 1.811 ( -9.301 1.438 7.977) 12.338 1.955 ( -2.147 -0.634 -1.435) 2.659 2.041 ( 1.833 -0.576 -2.949) 3.519 2.112 ( 1.740 5.227 -7.267) 9.119 2.276 ( -0.586 -1.269 0.580) 1.514 2.389 ( -0.598 -0.826 -2.753) 2.935 2.452 ( 0.078 -1.076 -9.086) 9.150 2.536 ( 2.545 2.360 5.796) 6.756 2.746 ( 1.553 -1.299 3.750) 4.262 2.806 ( -2.342 -0.086 1.107) 2.592 2.882 ( -1.231 2.412 0.926) 2.862 2.918 ( 1.335 -1.120 4.877) 5.179 2.931 ( 0.892 5.289 7.482) 9.206 3.018 ( 1.478 1.609 0.782) 2.321 3.099 ( 3.288 -5.039 -4.106) 7.284 3.202 ( -0.370 3.935 1.671) 4.292 3.398 ( -1.618 -6.769 5.060) 8.605 3.569 ( -1.265 2.481 3.016) 4.105 3.663 ( 0.557 -0.981 -6.255) 6.356 3.738 ( 2.958 2.097 -4.000) 5.399 3.746 ( -5.896 4.388 2.972) 7.928 3.942 ( 0.736 2.211 -1.921) 3.020 3.991 ( 0.036 -3.606 3.652) 5.132 4.042 ( -0.283 -2.861 -1.047) 3.059 4.045 ( -2.837 -2.558 2.887) 4.789 4.236 ( 2.440 -0.642 -0.515) 2.575 4.304 ( -1.600 -1.624 -2.421) 3.325 4.344 ( 1.312 -2.280 -4.225) 4.977 4.398 ( 1.192 1.135 -0.136) 1.652 4.521 ( -2.143 2.226 1.817) 3.585 4.574 ( -0.299 2.554 1.979) 3.245 4.599 ( 5.140 1.601 -3.195) 6.260 4.663 ( -0.201 1.276 -2.819) 3.101 4.871 ( 3.817 1.580 -3.869) 5.660 5.027 ( -3.213 -4.378 2.365) 5.923 5.303 ( -0.564 -0.132 1.155) 1.292 5.468 ( -0.013 -1.197 5.155) 5.293 5.781 ( -1.997 -2.778 3.811) 5.121 5.894 ( 0.940 -0.988 -5.758) 5.917 5.994 ( 0.962 -0.030 -0.574) 1.120 11.643 ( -5.175 -0.354 -0.648) 5.227 11.723 ( 4.441 0.135 3.171) 5.459 11.902 ( 3.852 7.569 8.533) 12.039 12.043 ( -3.726 -2.243 -0.178) 4.352 12.905 ( -1.307 -7.338 -4.964) 8.955 12.927 ( 2.581 -4.468 -4.252) 6.686 14.091 ( -6.913 6.492 -3.038) 9.959 14.197 ( 3.390 2.285 -3.334) 5.275 14.994 ( 3.824 -4.920 4.158) 7.491 15.182 ( 1.509 -4.210 -1.433) 4.696 16.550 ( -7.539 5.677 -1.597) 9.572 16.710 ( 4.771 3.251 -1.559) 5.980 ======================= Grid point 132 (71/89) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 4.384 -0.000 5.231) 6.825 1.839 ( 4.442 -0.000 5.479) 7.054 1.873 ( -7.928 0.000 3.526) 8.677 1.984 ( -13.123 0.000 14.805) 19.783 2.011 ( 1.686 -0.000 8.696) 8.858 2.144 ( -0.279 0.000 -1.034) 1.071 2.222 ( 1.306 -0.000 0.650) 1.458 2.381 ( 7.209 -0.000 -2.261) 7.555 2.458 ( 2.051 -0.000 -5.093) 5.490 2.667 ( -3.333 0.000 3.760) 5.025 2.708 ( 6.098 -0.000 -6.522) 8.929 2.742 ( -5.454 0.000 3.055) 6.251 2.843 ( 0.647 -0.000 2.523) 2.604 2.880 ( 3.738 -0.000 -2.058) 4.267 2.929 ( -2.663 0.000 4.211) 4.982 3.034 ( 3.014 -0.000 4.534) 5.444 3.129 ( 1.244 -0.000 -2.236) 2.558 3.150 ( -3.232 0.000 0.637) 3.294 3.318 ( 6.451 -0.000 -2.988) 7.110 3.404 ( -0.442 0.000 -11.076) 11.084 3.571 ( -1.915 0.000 -0.563) 1.996 3.715 ( -3.395 0.000 -5.625) 6.570 3.883 ( 0.329 -0.000 2.211) 2.235 3.913 ( -0.286 0.000 0.892) 0.936 4.022 ( 4.460 -0.000 0.303) 4.471 4.039 ( -4.072 0.000 -2.303) 4.678 4.100 ( 0.431 -0.000 6.401) 6.415 4.239 ( 2.967 -0.000 8.438) 8.944 4.253 ( -1.139 0.000 -1.376) 1.787 4.420 ( -0.352 0.000 -1.856) 1.889 4.488 ( -3.059 0.000 5.328) 6.144 4.534 ( -6.698 0.000 5.882) 8.915 4.546 ( -2.301 0.000 2.741) 3.579 4.635 ( 2.262 -0.000 -4.053) 4.641 4.713 ( 1.058 -0.000 -2.813) 3.006 4.716 ( -0.542 0.000 0.227) 0.588 5.058 ( 4.591 -0.000 -3.212) 5.603 5.192 ( 4.810 -0.000 -10.486) 11.536 5.660 ( -4.994 0.000 11.006) 12.086 5.717 ( -2.732 0.000 2.069) 3.427 5.838 ( 5.334 -0.000 -4.863) 7.218 5.968 ( -0.215 0.000 -4.106) 4.112 11.586 ( 3.900 -0.000 1.890) 4.334 11.646 ( -0.674 0.000 -1.377) 1.533 11.750 ( 5.877 -0.000 5.396) 7.978 11.919 ( -3.632 0.000 -2.607) 4.471 13.051 ( -5.347 0.000 16.826) 17.655 13.515 ( 7.387 -0.000 -6.752) 10.008 13.970 ( 0.382 -0.000 -1.768) 1.809 14.144 ( -6.908 0.000 -7.387) 10.114 14.478 ( -3.230 0.000 11.668) 12.107 15.123 ( 6.284 -0.000 -21.887) 22.771 16.634 ( -2.627 0.000 5.363) 5.972 16.775 ( 0.812 -0.000 -2.100) 2.252 ======================= Grid point 133 (72/89) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -4.430 3.750 7.693) 9.637 1.710 ( -12.440 0.666 8.434) 15.044 1.860 ( -0.040 -1.241 -2.278) 2.594 1.936 ( -2.486 -3.234 5.656) 6.974 2.042 ( -5.114 -3.402 10.307) 11.998 2.076 ( -0.508 2.537 6.717) 7.198 2.288 ( 7.074 1.179 -4.513) 8.473 2.448 ( 3.817 1.143 -3.075) 5.034 2.477 ( -4.236 1.469 -9.148) 10.188 2.629 ( -2.302 2.085 5.770) 6.553 2.647 ( 4.840 -2.771 1.491) 5.773 2.793 ( 1.332 -0.757 -3.060) 3.422 2.832 ( 1.862 2.371 4.611) 5.509 2.891 ( -1.559 0.098 5.758) 5.966 2.938 ( 1.268 -1.907 -1.294) 2.630 3.071 ( -2.277 2.008 -1.392) 3.340 3.130 ( -1.076 -1.870 2.379) 3.212 3.137 ( 3.610 -1.459 2.871) 4.838 3.355 ( 0.069 2.850 -8.507) 8.972 3.459 ( 1.637 -7.456 -3.717) 8.490 3.607 ( -2.219 -6.316 -0.345) 6.703 3.687 ( -3.453 -0.429 -3.560) 4.978 3.878 ( -0.001 0.116 1.396) 1.400 3.925 ( 0.474 -1.368 0.226) 1.465 3.975 ( -2.323 2.218 -2.111) 3.843 4.057 ( -0.925 4.861 8.283) 9.648 4.084 ( 2.337 1.157 -0.261) 2.621 4.228 ( 5.895 2.761 4.032) 7.657 4.273 ( -0.327 -1.228 -1.157) 1.718 4.357 ( -3.540 2.611 0.215) 4.404 4.431 ( -1.963 -0.253 0.064) 1.980 4.530 ( -3.172 -1.608 1.881) 4.023 4.561 ( -2.121 -6.442 5.844) 8.953 4.666 ( 2.624 1.013 -1.964) 3.431 4.694 ( -1.880 0.402 1.139) 2.235 4.716 ( 0.213 0.887 -3.360) 3.482 5.101 ( 5.654 2.554 -5.012) 7.976 5.261 ( 4.693 -1.032 -8.173) 9.481 5.563 ( -1.890 4.407 9.530) 10.668 5.713 ( -2.331 -1.854 3.091) 4.293 5.890 ( 3.358 0.661 -5.017) 6.073 5.979 ( 0.977 -0.872 -2.194) 2.555 11.633 ( -1.032 -1.026 -0.478) 1.531 11.677 ( 2.618 -2.634 0.615) 3.765 11.843 ( 5.739 -1.822 5.711) 8.298 11.917 ( -2.467 -6.097 -4.419) 7.924 12.872 ( -4.764 11.274 12.214) 17.291 13.422 ( 7.494 18.550 -6.658) 21.086 14.091 ( -1.288 -10.028 -0.544) 10.125 14.197 ( -2.411 -6.138 -2.715) 7.131 14.510 ( -1.892 -11.880 7.086) 13.962 15.154 ( 5.421 3.159 -17.268) 18.372 16.600 ( -5.963 -1.814 3.579) 7.187 16.766 ( -0.584 0.662 -1.311) 1.581 ======================= Grid point 134 (73/89) ======================= q-point: (-0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -11.372 -3.307 11.537) 16.533 1.592 ( -3.855 1.549 7.046) 8.180 1.792 ( -2.659 5.022 1.361) 5.843 1.949 ( -1.049 3.037 7.755) 8.394 2.042 ( 1.311 -5.156 -2.597) 5.920 2.114 ( -1.655 -4.581 5.943) 7.684 2.278 ( 2.686 8.216 -4.479) 9.735 2.397 ( -5.458 -2.413 -12.371) 13.735 2.473 ( 4.049 1.664 -1.287) 4.563 2.590 ( 1.380 1.192 5.248) 5.556 2.739 ( -2.142 3.719 -0.552) 4.327 2.795 ( 4.274 -3.670 -0.069) 5.634 2.890 ( 0.107 -0.772 6.635) 6.681 2.900 ( 2.049 -3.829 3.237) 5.416 2.976 ( 0.565 -0.445 2.834) 2.924 3.007 ( -1.181 0.844 -1.933) 2.417 3.133 ( 2.207 -0.120 1.514) 2.679 3.257 ( 0.559 -7.691 4.898) 9.136 3.302 ( 0.554 4.228 -5.120) 6.663 3.549 ( -4.691 -4.403 2.828) 7.027 3.621 ( -1.689 2.751 0.188) 3.234 3.677 ( -2.461 -3.339 -1.114) 4.295 3.851 ( -3.810 2.392 -2.279) 5.044 3.901 ( 2.261 0.813 3.468) 4.219 3.965 ( 1.113 -0.147 0.703) 1.325 4.003 ( 0.866 -1.266 -0.804) 1.732 4.079 ( 2.665 3.466 -0.373) 4.388 4.261 ( -2.681 -0.638 -0.367) 2.781 4.288 ( 1.360 2.699 -2.012) 3.631 4.323 ( 2.512 -3.119 -1.964) 4.461 4.417 ( 0.059 -0.107 -0.757) 0.767 4.505 ( -2.932 0.288 2.064) 3.597 4.597 ( -2.138 2.906 1.074) 3.764 4.645 ( 0.114 -2.417 0.743) 2.531 4.688 ( -1.049 0.504 -2.095) 2.397 4.739 ( -2.301 -5.907 2.784) 6.923 5.119 ( 6.229 4.371 -6.264) 9.856 5.318 ( 1.811 0.767 -0.684) 2.082 5.504 ( 2.774 2.633 4.923) 6.234 5.710 ( -2.367 -1.483 3.298) 4.322 5.911 ( 1.996 0.519 -5.344) 5.728 6.001 ( 0.381 -0.216 -0.093) 0.447 11.599 ( -2.786 1.292 -0.896) 3.199 11.752 ( 2.000 -2.542 2.971) 4.392 11.934 ( 0.135 -3.770 3.067) 4.862 12.029 ( 2.724 -3.119 -0.049) 4.142 12.687 ( -3.079 1.303 2.008) 3.900 13.220 ( 8.526 16.779 -3.375) 19.121 14.061 ( -11.178 3.263 -6.751) 13.460 14.223 ( 1.680 -1.975 1.656) 3.076 14.851 ( 5.747 -19.699 3.505) 20.817 15.179 ( 2.614 0.970 -5.448) 6.120 16.519 ( -6.685 1.607 -1.050) 6.955 16.763 ( 0.099 -0.841 -0.889) 1.228 ======================= Grid point 139 (74/89) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -18.223 0.000 10.574) 21.069 1.603 ( -11.698 0.000 8.539) 14.483 1.866 ( -0.439 0.000 -1.686) 1.742 1.867 ( 5.054 -0.000 1.049) 5.161 2.052 ( 0.598 -0.000 9.446) 9.465 2.067 ( -2.099 0.000 3.408) 4.002 2.306 ( -6.847 0.000 -8.998) 11.307 2.455 ( 5.061 -0.000 0.673) 5.106 2.541 ( 4.244 -0.000 -4.115) 5.912 2.615 ( 0.145 -0.000 3.454) 3.457 2.644 ( 0.302 -0.000 2.674) 2.691 2.817 ( -4.636 0.000 11.422) 12.327 2.865 ( 3.382 -0.000 -4.703) 5.793 2.908 ( -0.152 0.000 0.649) 0.666 2.920 ( 1.639 -0.000 -0.696) 1.781 3.067 ( 2.718 -0.000 3.612) 4.520 3.073 ( -1.989 0.000 2.847) 3.473 3.196 ( -1.648 0.000 1.608) 2.302 3.359 ( -3.155 0.000 -11.146) 11.584 3.383 ( -0.510 0.000 2.544) 2.595 3.515 ( -0.682 0.000 -2.523) 2.613 3.688 ( 3.387 -0.000 -5.866) 6.774 3.852 ( -5.108 0.000 -1.462) 5.313 3.928 ( 2.734 -0.000 1.887) 3.322 3.979 ( 1.110 -0.000 -5.018) 5.140 4.108 ( 0.064 -0.000 6.279) 6.280 4.139 ( 2.289 -0.000 3.940) 4.557 4.246 ( 0.469 -0.000 -1.943) 1.999 4.319 ( -5.162 0.000 5.477) 7.527 4.349 ( -3.993 0.000 0.913) 4.096 4.364 ( 3.480 -0.000 0.425) 3.506 4.431 ( -0.365 0.000 0.431) 0.565 4.513 ( -2.494 0.000 3.787) 4.535 4.684 ( -1.415 0.000 2.196) 2.613 4.685 ( -0.992 0.000 -2.212) 2.424 4.742 ( 0.271 -0.000 -4.379) 4.387 5.204 ( 7.341 -0.000 -5.355) 9.087 5.304 ( 3.422 -0.000 -6.281) 7.153 5.582 ( -1.289 0.000 12.580) 12.646 5.692 ( 1.171 -0.000 -3.209) 3.416 5.940 ( 2.571 -0.000 -2.260) 3.423 5.982 ( 1.272 -0.000 -1.350) 1.855 11.629 ( -0.412 0.000 -2.098) 2.138 11.667 ( 1.922 -0.000 0.878) 2.113 11.815 ( -3.669 0.000 -5.228) 6.387 11.909 ( 5.242 -0.000 4.031) 6.613 12.968 ( 0.066 -0.000 15.454) 15.454 13.725 ( 5.797 -0.000 -11.012) 12.445 14.012 ( -4.157 0.000 -5.295) 6.731 14.036 ( 6.896 -0.000 7.304) 10.045 14.387 ( -3.949 0.000 8.341) 9.229 15.234 ( 3.137 -0.000 -21.860) 22.084 16.493 ( -7.783 0.000 6.375) 10.060 16.741 ( -3.220 0.000 -2.113) 3.852 ======================= Grid point 140 (75/89) ======================= q-point: (-0.17 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -13.540 -3.786 14.681) 20.327 1.499 ( -8.309 -3.984 9.463) 13.208 1.842 ( 0.243 2.819 -3.029) 4.145 1.950 ( 0.893 -1.150 3.001) 3.335 2.031 ( 2.485 0.842 2.065) 3.339 2.082 ( 1.742 -1.852 1.482) 2.943 2.227 ( -8.645 -3.083 -9.312) 13.075 2.453 ( 3.496 6.750 -3.562) 8.395 2.543 ( 0.578 2.479 4.215) 4.924 2.634 ( 3.127 0.180 4.036) 5.109 2.699 ( -0.953 -5.170 2.047) 5.642 2.820 ( -2.437 -6.146 6.172) 9.045 2.837 ( -0.476 4.389 0.301) 4.425 2.893 ( -0.430 0.189 -0.671) 0.819 2.970 ( 1.952 -1.631 0.519) 2.596 3.030 ( -2.099 2.996 -0.021) 3.658 3.080 ( -3.360 -2.050 1.954) 4.394 3.205 ( 3.433 -2.887 7.355) 8.615 3.333 ( 0.256 0.994 -9.819) 9.873 3.410 ( -2.479 -4.263 6.061) 7.814 3.567 ( 1.105 -4.112 -4.824) 6.434 3.719 ( 1.248 0.869 -0.669) 1.661 3.774 ( -4.117 1.494 -3.526) 5.623 3.963 ( 1.249 0.627 2.098) 2.521 4.022 ( 1.923 0.345 -2.850) 3.456 4.034 ( 1.746 2.967 2.021) 3.991 4.152 ( 2.209 1.375 -0.962) 2.774 4.227 ( -2.123 2.051 2.410) 3.811 4.281 ( -0.549 -1.421 -1.433) 2.091 4.370 ( 2.047 1.007 -0.298) 2.300 4.385 ( -0.468 -3.539 0.923) 3.687 4.456 ( -0.918 -1.758 1.198) 2.317 4.508 ( -3.750 -4.759 4.318) 7.440 4.639 ( -1.627 2.729 0.404) 3.202 4.644 ( -4.548 1.481 -2.975) 5.633 4.727 ( -0.755 0.075 -1.562) 1.737 5.264 ( 6.328 3.500 -4.873) 8.720 5.351 ( 2.556 -0.607 -3.103) 4.065 5.564 ( 0.187 1.055 11.276) 11.327 5.708 ( 2.538 1.206 -4.472) 5.282 5.951 ( 1.509 1.203 -1.731) 2.592 6.002 ( 0.525 -0.022 0.553) 0.762 11.604 ( -0.417 1.542 -0.635) 1.718 11.708 ( -0.718 -2.233 2.288) 3.277 11.862 ( -0.938 -8.183 -6.328) 10.386 11.962 ( 1.684 -1.915 0.814) 2.676 12.863 ( 4.765 13.966 13.153) 19.767 13.615 ( 6.112 17.009 -6.528) 19.217 13.937 ( -5.712 -2.471 -6.445) 8.959 14.194 ( -3.031 -0.911 4.489) 5.493 14.563 ( 6.219 -22.162 6.735) 23.983 15.237 ( 1.185 2.438 -14.261) 14.516 16.425 ( -6.290 -2.953 2.751) 7.474 16.706 ( -3.886 -1.855 -2.277) 4.871 ======================= Grid point 146 (76/89) ======================= q-point: (-0.17 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -5.752 0.000 19.004) 19.855 1.342 ( -8.016 0.000 12.998) 15.271 1.892 ( 2.332 -0.000 -6.939) 7.321 1.910 ( -4.694 0.000 -4.008) 6.172 2.054 ( 0.406 -0.000 5.408) 5.423 2.112 ( 1.461 -0.000 2.621) 3.001 2.143 ( 2.651 -0.000 -12.202) 12.487 2.472 ( -9.371 0.000 16.778) 19.218 2.571 ( -3.001 0.000 -5.741) 6.478 2.647 ( 0.408 -0.000 6.372) 6.385 2.684 ( 4.093 -0.000 1.462) 4.346 2.736 ( 2.818 -0.000 1.194) 3.060 2.840 ( -7.706 0.000 1.098) 7.783 2.861 ( -4.002 0.000 -0.141) 4.004 2.965 ( -1.900 0.000 -4.050) 4.473 2.978 ( 1.196 -0.000 -0.366) 1.251 3.112 ( 4.132 -0.000 1.275) 4.324 3.244 ( 4.820 -0.000 9.176) 10.365 3.363 ( 1.926 -0.000 -8.026) 8.254 3.371 ( 1.936 -0.000 5.648) 5.970 3.561 ( 3.445 -0.000 -5.369) 6.379 3.674 ( -3.827 0.000 0.966) 3.947 3.789 ( -1.107 0.000 -4.188) 4.332 3.924 ( -5.556 0.000 -1.830) 5.849 4.073 ( 1.053 -0.000 8.504) 8.569 4.106 ( 8.639 -0.000 -11.555) 14.427 4.183 ( 0.973 -0.000 -0.639) 1.164 4.253 ( -1.170 0.000 -1.720) 2.080 4.266 ( -1.293 0.000 2.089) 2.456 4.288 ( 2.095 -0.000 5.162) 5.571 4.411 ( -4.047 0.000 4.365) 5.952 4.442 ( 1.727 -0.000 -1.994) 2.638 4.444 ( 0.695 -0.000 -1.719) 1.854 4.568 ( -7.230 0.000 -2.306) 7.589 4.661 ( -0.781 0.000 2.084) 2.225 4.701 ( -2.738 0.000 -3.030) 4.084 5.347 ( 0.168 -0.000 -0.957) 0.972 5.383 ( 4.461 -0.000 -5.303) 6.930 5.568 ( -0.453 0.000 12.367) 12.376 5.765 ( 3.922 -0.000 -6.675) 7.742 5.970 ( 0.163 -0.000 1.957) 1.964 6.020 ( 1.443 -0.000 0.618) 1.569 11.635 ( 1.093 -0.000 -0.246) 1.120 11.671 ( -1.652 0.000 0.932) 1.896 11.756 ( -0.664 0.000 -5.615) 5.654 11.960 ( -1.761 0.000 -0.421) 1.811 13.114 ( 10.630 -0.000 13.500) 17.183 13.772 ( 0.126 -0.000 -13.579) 13.580 13.912 ( -2.999 0.000 -3.078) 4.298 14.127 ( -5.382 0.000 5.238) 7.510 14.436 ( 9.682 -0.000 12.025) 15.438 15.261 ( -1.235 0.000 -18.331) 18.373 16.305 ( -5.593 0.000 7.071) 9.015 16.635 ( -4.375 0.000 -4.554) 6.315 ======================= Grid point 147 (77/89) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.375 0.000 -7.016) 7.026 1.532 ( 0.375 -0.000 7.016) 7.026 1.657 ( -2.734 0.000 -11.266) 11.593 1.657 ( 2.734 -0.000 11.266) 11.593 2.092 ( 5.479 -0.000 -4.425) 7.042 2.092 ( -5.479 0.000 4.425) 7.042 2.264 ( -5.184 0.000 -2.731) 5.860 2.264 ( 5.184 -0.000 2.731) 5.860 2.641 ( 2.422 -0.000 -14.186) 14.391 2.641 ( -2.422 0.000 14.186) 14.391 2.704 ( 2.264 -0.000 -1.145) 2.536 2.704 ( -2.264 0.000 1.145) 2.536 2.826 ( -1.112 0.000 -0.552) 1.241 2.826 ( 1.112 -0.000 0.552) 1.241 2.950 ( 6.007 -0.000 -5.141) 7.906 2.950 ( -6.007 0.000 5.141) 7.906 3.241 ( -2.949 0.000 -2.930) 4.157 3.241 ( 2.949 -0.000 2.930) 4.157 3.492 ( 3.235 -0.000 -7.084) 7.788 3.492 ( -3.235 0.000 7.084) 7.788 3.634 ( -5.486 0.000 -1.282) 5.634 3.634 ( 5.486 -0.000 1.282) 5.634 3.698 ( -8.022 0.000 1.238) 8.117 3.698 ( 8.022 -0.000 -1.238) 8.117 4.136 ( 4.450 -0.000 -5.167) 6.819 4.136 ( -4.450 0.000 5.167) 6.819 4.200 ( 1.297 -0.000 -0.434) 1.368 4.200 ( -1.297 0.000 0.434) 1.368 4.338 ( -3.081 0.000 0.253) 3.091 4.338 ( 3.081 -0.000 -0.253) 3.091 4.414 ( 1.805 -0.000 -2.599) 3.165 4.414 ( -1.805 0.000 2.599) 3.165 4.449 ( -0.711 0.000 -1.043) 1.262 4.449 ( 0.711 -0.000 1.043) 1.262 4.639 ( 2.304 -0.000 -0.941) 2.488 4.639 ( -2.304 0.000 0.941) 2.488 5.356 ( -0.123 0.000 -1.405) 1.410 5.356 ( 0.123 -0.000 1.405) 1.410 5.719 ( 3.484 -0.000 -8.219) 8.927 5.719 ( -3.484 0.000 8.219) 8.927 6.030 ( -0.209 0.000 -1.760) 1.773 6.030 ( 0.209 -0.000 1.760) 1.773 11.637 ( 2.394 -0.000 -2.682) 3.595 11.637 ( -2.394 0.000 2.682) 3.595 11.802 ( -5.483 0.000 -2.170) 5.897 11.802 ( 5.483 -0.000 2.170) 5.897 13.519 ( -1.961 0.000 -10.852) 11.027 13.519 ( 1.961 -0.000 10.852) 11.027 13.951 ( -9.455 0.000 1.681) 9.603 13.951 ( 9.455 -0.000 -1.681) 9.603 14.907 ( -4.888 0.000 -12.904) 13.799 14.907 ( 4.888 -0.000 12.904) 13.799 16.411 ( -2.429 0.000 -7.295) 7.689 16.411 ( 2.429 -0.000 7.295) 7.689 ======================= Grid point 149 (78/89) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -2.386 -4.553 -11.447) 12.549 1.592 ( 0.647 -6.474 -8.372) 10.603 1.692 ( 1.736 -2.936 6.147) 7.030 1.754 ( 2.712 -5.808 12.277) 13.849 2.008 ( -4.183 2.006 5.295) 7.040 2.141 ( 5.020 1.840 -9.076) 10.534 2.215 ( -1.591 -0.506 -2.434) 2.951 2.302 ( 5.443 4.908 3.814) 8.262 2.626 ( -3.012 1.294 3.526) 4.814 2.643 ( -0.308 0.729 5.939) 5.992 2.720 ( 4.190 -1.601 -1.303) 4.671 2.772 ( 5.180 -2.186 -0.319) 5.632 2.806 ( -2.081 -0.693 -1.302) 2.551 2.836 ( 0.788 -0.919 0.133) 1.218 2.912 ( -4.566 -4.189 4.572) 7.701 3.038 ( 2.118 -3.183 -3.470) 5.163 3.172 ( -3.782 2.258 -3.375) 5.549 3.229 ( 0.339 2.645 2.848) 3.902 3.461 ( -1.422 -0.879 -1.613) 2.323 3.513 ( -0.485 -0.420 -3.976) 4.028 3.579 ( -4.072 -1.278 -0.900) 4.361 3.649 ( -5.033 -2.724 3.249) 6.581 3.694 ( 3.645 -0.041 -0.509) 3.681 3.845 ( 6.713 -4.087 2.387) 8.214 4.027 ( -4.694 1.316 4.725) 6.789 4.120 ( 3.052 4.425 -4.787) 7.198 4.199 ( -3.606 -2.791 1.888) 4.935 4.250 ( -1.502 1.641 -0.125) 2.228 4.317 ( 0.157 2.038 -3.714) 4.239 4.382 ( -0.521 1.015 -0.238) 1.166 4.416 ( 5.928 -2.936 -1.101) 6.706 4.436 ( 1.163 0.361 -0.053) 1.219 4.442 ( 1.155 -0.718 -0.344) 1.403 4.517 ( 3.636 -4.891 -3.831) 7.198 4.611 ( -0.269 1.319 -0.104) 1.350 4.663 ( 3.001 1.211 0.142) 3.239 5.306 ( -4.430 2.794 3.595) 6.352 5.347 ( -1.188 0.092 1.890) 2.234 5.664 ( -3.762 1.071 7.748) 8.680 5.747 ( 2.296 0.830 -8.596) 8.936 5.990 ( -1.885 3.120 0.568) 3.690 6.017 ( 0.176 1.344 -0.065) 1.357 11.638 ( -3.301 -1.923 0.125) 3.823 11.708 ( 1.265 -5.375 4.443) 7.088 11.760 ( -2.344 -3.497 -2.743) 5.025 11.870 ( 5.042 -0.438 2.306) 5.562 13.304 ( -7.169 16.400 -11.998) 21.548 13.425 ( 2.253 12.355 12.365) 17.624 13.885 ( -4.701 -1.382 -0.533) 4.929 14.096 ( 10.715 -0.524 -3.680) 11.342 14.919 ( -7.167 -10.841 -5.168) 13.986 15.022 ( 0.644 -8.074 7.257) 10.876 16.405 ( -0.841 -0.880 -2.352) 2.649 16.514 ( 6.404 -5.158 1.562) 8.370 ======================= Grid point 150 (79/89) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -1.391 -5.437 -8.873) 10.499 1.712 ( 0.243 -4.301 -6.965) 8.190 1.745 ( 0.984 -2.893 1.160) 3.268 1.860 ( 0.409 -2.008 15.981) 16.112 1.973 ( 0.730 -2.894 6.005) 6.705 2.172 ( 4.089 2.021 -15.543) 16.198 2.237 ( 0.537 -2.189 -3.112) 3.842 2.243 ( 2.549 6.351 4.238) 8.049 2.514 ( -5.044 4.997 5.215) 8.810 2.641 ( 0.110 -0.805 4.518) 4.590 2.725 ( -5.636 0.237 -0.484) 5.661 2.835 ( 4.622 0.382 -0.657) 4.684 2.855 ( 4.583 -1.224 -0.463) 4.767 2.948 ( 2.256 -4.627 -1.040) 5.252 2.971 ( -0.194 -6.718 6.167) 9.121 3.076 ( 0.045 0.927 0.789) 1.218 3.104 ( -0.482 -0.860 -2.324) 2.525 3.205 ( -0.208 1.412 0.396) 1.481 3.466 ( -4.621 -3.709 -5.059) 7.791 3.531 ( 0.368 -1.581 -0.579) 1.723 3.578 ( -0.350 -3.036 0.963) 3.204 3.636 ( -1.486 -0.905 2.927) 3.405 3.732 ( 2.801 0.068 -1.987) 3.435 3.930 ( 1.373 -0.361 3.261) 3.557 4.010 ( -1.297 -2.257 0.340) 2.625 4.099 ( 1.709 2.809 -3.608) 4.882 4.148 ( -3.941 4.340 -0.466) 5.880 4.179 ( -1.784 1.109 3.481) 4.066 4.252 ( -0.975 4.412 -3.929) 5.988 4.384 ( 1.921 -0.387 -1.857) 2.700 4.429 ( 1.961 1.926 0.517) 2.797 4.444 ( -0.993 -1.638 1.271) 2.298 4.572 ( 3.760 -2.437 -2.454) 5.109 4.588 ( 0.250 0.839 -0.232) 0.906 4.671 ( 3.420 -1.585 -1.457) 4.041 4.703 ( 5.174 -6.788 -4.146) 9.489 5.160 ( -6.916 5.657 6.330) 10.950 5.328 ( -1.168 0.248 1.921) 2.262 5.592 ( -2.908 2.364 5.382) 6.559 5.763 ( 2.266 0.107 -8.421) 8.721 5.897 ( -3.143 3.719 2.927) 5.681 6.005 ( 0.535 0.566 -0.236) 0.814 11.587 ( -2.985 1.319 -0.209) 3.270 11.823 ( 1.809 -2.291 0.845) 3.038 11.849 ( -0.093 -8.694 1.670) 8.854 11.979 ( 2.978 -7.436 4.016) 8.960 12.910 ( -6.281 18.227 -12.406) 22.925 13.229 ( 2.216 13.468 10.200) 17.039 13.853 ( -3.295 -1.216 -0.978) 3.646 14.217 ( 5.957 -0.934 -2.897) 6.690 15.035 ( -3.158 -9.254 1.708) 9.926 15.148 ( -0.951 -6.826 -0.520) 6.911 16.409 ( -0.431 -0.511 -0.098) 0.676 16.685 ( 4.993 -4.999 0.153) 7.068 ======================= Grid point 151 (80/89) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 -0.000 -0.000) 0.000 1.741 ( 0.000 -0.000 -0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 -0.000 -0.000) 0.000 2.059 ( 0.000 -0.000 -0.000) 0.000 2.124 ( 0.000 0.000 -0.000) 0.000 2.214 ( -0.000 -0.000 -0.000) 0.000 2.300 ( -0.000 0.000 0.000) 0.000 2.404 ( 0.000 -0.000 -0.000) 0.000 2.658 ( -0.000 0.000 -0.000) 0.000 2.669 ( 0.000 -0.000 0.000) 0.000 2.866 ( 0.000 -0.000 -0.000) 0.000 2.899 ( -0.000 -0.000 -0.000) 0.000 2.962 ( 0.000 0.000 -0.000) 0.000 3.057 ( 0.000 -0.000 -0.000) 0.000 3.061 ( 0.000 -0.000 -0.000) 0.000 3.134 ( 0.000 -0.000 0.000) 0.000 3.195 ( -0.000 0.000 -0.000) 0.000 3.471 ( -0.000 -0.000 -0.000) 0.000 3.552 ( 0.000 0.000 -0.000) 0.000 3.582 ( 0.000 -0.000 0.000) 0.000 3.672 ( 0.000 0.000 -0.000) 0.000 3.768 ( 0.000 -0.000 -0.000) 0.000 3.950 ( -0.000 -0.000 -0.000) 0.000 3.961 ( 0.000 -0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.122 ( -0.000 -0.000 -0.000) 0.000 4.140 ( 0.000 0.000 -0.000) 0.000 4.195 ( 0.000 -0.000 -0.000) 0.000 4.400 ( 0.000 -0.000 -0.000) 0.000 4.428 ( 0.000 0.000 -0.000) 0.000 4.452 ( -0.000 -0.000 -0.000) 0.000 4.579 ( 0.000 -0.000 0.000) 0.000 4.620 ( 0.000 -0.000 -0.000) 0.000 4.694 ( 0.000 -0.000 -0.000) 0.000 4.878 ( 0.000 0.000 -0.000) 0.000 5.007 ( 0.000 -0.000 -0.000) 0.000 5.318 ( -0.000 -0.000 -0.000) 0.000 5.545 ( 0.000 -0.000 -0.000) 0.000 5.805 ( -0.000 -0.000 0.000) 0.000 5.814 ( 0.000 -0.000 -0.000) 0.000 6.006 ( 0.000 -0.000 -0.000) 0.000 11.554 ( 0.000 -0.000 -0.000) 0.000 11.851 ( 0.000 -0.000 -0.000) 0.000 11.930 ( 0.000 -0.000 -0.000) 0.000 12.110 ( 0.000 -0.000 -0.000) 0.000 12.671 ( 0.000 -0.000 -0.000) 0.000 13.118 ( 0.000 -0.000 -0.000) 0.000 13.843 ( 0.000 -0.000 -0.000) 0.000 14.264 ( 0.000 -0.000 -0.000) 0.000 15.094 ( 0.000 -0.000 -0.000) 0.000 15.202 ( 0.000 -0.000 -0.000) 0.000 16.410 ( 0.000 -0.000 -0.000) 0.000 16.763 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 156 (81/89) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 2.038 -0.000 -14.040) 14.187 1.561 ( 4.299 -0.000 -9.667) 10.580 1.729 ( 2.276 -0.000 9.944) 10.201 1.765 ( 8.873 -0.000 12.314) 15.177 1.977 ( -3.378 0.000 0.586) 3.428 2.171 ( -1.998 0.000 -3.507) 4.036 2.205 ( 3.010 -0.000 -8.677) 9.185 2.429 ( 4.752 -0.000 7.066) 8.515 2.605 ( -2.976 0.000 0.109) 2.978 2.637 ( -1.683 0.000 11.397) 11.521 2.768 ( -3.755 0.000 -3.092) 4.864 2.770 ( 2.015 -0.000 7.362) 7.632 2.814 ( 7.046 -0.000 -4.166) 8.185 2.831 ( 2.185 -0.000 1.669) 2.750 2.885 ( 4.374 -0.000 1.050) 4.499 3.006 ( -1.807 0.000 -3.330) 3.789 3.127 ( -4.274 0.000 -0.270) 4.282 3.226 ( -3.923 0.000 3.678) 5.378 3.410 ( -8.312 0.000 -4.067) 9.254 3.475 ( 3.354 -0.000 -4.642) 5.727 3.498 ( -5.032 0.000 -0.773) 5.092 3.669 ( 4.050 -0.000 2.600) 4.813 3.727 ( 0.741 -0.000 -0.614) 0.963 3.882 ( 5.200 -0.000 2.156) 5.629 3.958 ( -4.914 0.000 3.169) 5.847 4.149 ( -0.413 0.000 1.125) 1.198 4.231 ( 0.151 -0.000 0.929) 0.941 4.261 ( 1.450 -0.000 -5.868) 6.045 4.294 ( 0.403 -0.000 -0.553) 0.684 4.361 ( -0.531 0.000 -2.178) 2.242 4.446 ( 0.916 -0.000 -2.083) 2.275 4.457 ( 1.668 -0.000 -6.494) 6.705 4.508 ( 4.443 -0.000 -4.794) 6.537 4.509 ( 4.707 -0.000 3.929) 6.131 4.648 ( 2.666 -0.000 2.114) 3.402 4.705 ( 1.814 -0.000 -2.404) 3.012 5.280 ( -6.076 0.000 5.223) 8.012 5.288 ( -4.851 0.000 5.662) 7.455 5.635 ( -2.035 0.000 5.777) 6.125 5.772 ( 0.839 -0.000 -8.135) 8.178 6.001 ( -2.030 0.000 -1.209) 2.362 6.006 ( -2.222 0.000 2.265) 3.173 11.582 ( -1.597 0.000 4.731) 4.993 11.679 ( 0.687 -0.000 -0.019) 0.687 11.698 ( -1.915 0.000 0.602) 2.008 11.933 ( 3.852 -0.000 2.064) 4.370 13.357 ( -8.103 0.000 -11.776) 14.294 13.512 ( -1.190 0.000 13.068) 13.122 13.878 ( 1.767 -0.000 0.048) 1.768 14.265 ( 12.327 -0.000 -9.346) 15.469 14.654 ( -13.548 0.000 -9.612) 16.612 14.931 ( -2.152 0.000 15.894) 16.039 16.448 ( 5.076 -0.000 -7.579) 9.122 16.543 ( 6.545 -0.000 5.006) 8.240 ======================= Grid point 157 (82/89) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 7.013 -2.246 -9.811) 12.267 1.673 ( 5.364 -4.289 -6.398) 9.387 1.769 ( 4.428 0.237 2.278) 4.985 1.881 ( 3.877 0.651 13.730) 14.282 1.963 ( 3.904 -1.810 0.412) 4.323 2.181 ( -0.315 -2.299 -2.706) 3.564 2.234 ( 2.675 0.172 -11.346) 11.658 2.375 ( -1.039 7.499 4.131) 8.624 2.551 ( -3.680 4.394 3.536) 6.734 2.633 ( 1.034 -0.659 5.121) 5.266 2.684 ( -2.618 1.355 -0.265) 2.960 2.783 ( -4.994 -4.659 5.445) 8.735 2.887 ( 1.807 -1.387 0.164) 2.284 2.905 ( 0.635 -2.765 0.900) 2.976 2.971 ( 5.495 0.862 1.441) 5.746 3.043 ( 1.579 -3.780 -1.536) 4.375 3.089 ( 2.244 -0.082 0.180) 2.253 3.187 ( -3.058 -0.872 2.702) 4.172 3.326 ( -6.886 -2.632 -2.852) 7.905 3.466 ( -3.027 -3.359 1.810) 4.871 3.561 ( 5.090 -3.197 -6.333) 8.732 3.649 ( -2.888 1.767 2.419) 4.161 3.766 ( 4.855 -0.568 -1.209) 5.035 3.921 ( -0.853 -0.444 2.277) 2.472 3.964 ( 0.914 -2.241 0.911) 2.586 4.134 ( -1.951 0.786 0.724) 2.225 4.192 ( -0.551 5.704 -3.327) 6.626 4.213 ( 1.937 1.696 0.897) 2.726 4.317 ( -0.250 2.777 -3.340) 4.351 4.365 ( -0.913 -1.173 0.559) 1.588 4.422 ( 0.284 1.433 -3.883) 4.149 4.512 ( 3.031 0.596 -1.848) 3.600 4.576 ( 4.023 -2.776 0.362) 4.901 4.610 ( 3.108 -4.466 -4.051) 6.784 4.653 ( 2.940 1.279 -2.181) 3.877 4.715 ( 0.328 0.539 -0.129) 0.644 5.147 ( -7.045 3.803 6.604) 10.378 5.254 ( -5.918 -2.593 6.774) 9.362 5.614 ( 0.451 1.723 2.587) 3.141 5.780 ( 0.962 -0.385 -7.777) 7.846 5.918 ( -3.790 3.862 1.813) 5.706 5.995 ( -2.012 -0.874 1.028) 2.422 11.580 ( -0.750 -0.057 1.896) 2.040 11.722 ( 1.662 -6.054 5.927) 8.634 11.742 ( -0.932 -5.468 -0.158) 5.549 11.965 ( 1.643 -0.384 0.671) 1.815 13.115 ( -5.459 15.322 -12.502) 20.515 13.426 ( -3.093 10.561 11.725) 16.080 13.867 ( 3.095 1.289 1.109) 3.531 14.340 ( 6.310 4.044 -10.565) 12.953 14.693 ( -8.116 -18.915 -5.851) 21.399 14.972 ( -4.076 -7.807 12.590) 15.364 16.489 ( 6.507 3.197 -2.925) 7.818 16.671 ( 5.043 -4.281 0.941) 6.682 ======================= Grid point 158 (83/89) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 6.672 -0.498 -2.420) 7.115 1.789 ( 3.575 1.365 1.474) 4.100 1.812 ( 7.043 -1.348 -10.779) 12.946 1.913 ( 4.405 1.675 6.067) 7.682 2.047 ( 1.885 -0.889 5.378) 5.768 2.156 ( -3.327 4.303 0.379) 5.452 2.216 ( -3.068 3.825 -0.354) 4.917 2.315 ( 2.286 0.612 -3.727) 4.415 2.419 ( -1.560 1.560 -0.928) 2.393 2.671 ( 0.888 0.651 -1.739) 2.058 2.685 ( 4.587 -2.011 4.232) 6.557 2.784 ( -6.449 -3.728 2.048) 7.725 2.922 ( 0.084 -0.336 -0.150) 0.377 2.926 ( -1.057 -2.803 5.076) 5.895 3.004 ( -1.625 -1.430 -2.264) 3.132 3.050 ( -0.935 -0.187 -3.874) 3.990 3.135 ( -1.362 0.679 2.519) 2.943 3.175 ( -0.753 -0.254 2.750) 2.863 3.369 ( -0.517 -8.090 -4.757) 9.399 3.531 ( -1.073 -4.880 4.232) 6.548 3.606 ( 1.438 0.660 0.622) 1.700 3.682 ( 4.536 -2.466 -2.041) 5.552 3.832 ( 3.987 2.861 -0.152) 4.909 3.916 ( -0.938 -2.180 -0.107) 2.376 3.966 ( -1.222 1.099 0.432) 1.700 4.087 ( -2.503 1.392 -0.861) 2.990 4.098 ( 0.728 2.751 -3.211) 4.291 4.218 ( 2.259 2.550 1.539) 3.738 4.246 ( 0.593 4.337 0.548) 4.412 4.349 ( -3.373 -0.773 -2.261) 4.134 4.408 ( -0.200 0.769 -0.037) 0.795 4.531 ( 4.042 1.569 0.440) 4.358 4.618 ( 2.509 0.879 -1.439) 3.022 4.637 ( 1.191 1.633 0.435) 2.067 4.664 ( -4.472 1.016 0.207) 4.590 4.823 ( 1.913 -7.596 -3.290) 8.496 5.017 ( -2.140 2.536 2.115) 3.935 5.229 ( -5.912 -4.053 6.537) 9.701 5.594 ( 2.705 2.493 -3.198) 4.875 5.799 ( -3.278 1.923 3.270) 5.014 5.825 ( 1.773 -0.341 -4.601) 4.943 5.984 ( -2.220 -0.964 1.638) 2.922 11.577 ( 2.181 0.702 1.300) 2.634 11.792 ( -3.070 -3.304 -0.979) 4.615 11.893 ( 2.478 -7.894 6.169) 10.321 12.027 ( 0.133 -6.281 0.308) 6.290 12.809 ( -0.248 14.548 -9.935) 17.618 13.145 ( -8.032 10.776 4.663) 14.226 13.941 ( 9.106 1.555 4.616) 10.327 14.318 ( 1.088 4.409 -7.954) 9.159 14.927 ( -4.421 -16.680 -3.778) 17.665 15.045 ( -5.958 -8.776 7.907) 13.230 16.517 ( 7.403 4.304 -0.650) 8.588 16.757 ( 0.406 -1.061 -0.374) 1.196 ======================= Grid point 159 (84/89) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.562 4.641 -1.553) 6.690 1.790 ( 2.203 2.771 5.830) 6.821 1.867 ( 4.943 8.053 -2.156) 9.692 1.926 ( 5.913 1.523 -7.895) 9.981 2.014 ( -3.267 3.701 -0.959) 5.029 2.095 ( -0.132 -4.295 7.413) 8.568 2.121 ( -5.540 2.053 0.242) 5.914 2.233 ( -5.116 1.835 2.320) 5.910 2.518 ( 5.848 -4.206 -6.300) 9.570 2.652 ( -2.241 0.133 -2.364) 3.260 2.750 ( -2.245 -0.092 3.923) 4.521 2.804 ( 6.768 -0.786 1.559) 6.989 2.855 ( -3.709 3.893 -1.585) 5.606 2.976 ( -4.655 1.493 2.210) 5.365 3.013 ( 2.180 -4.466 1.416) 5.167 3.036 ( -0.694 -2.858 -1.156) 3.160 3.103 ( -0.950 2.366 -3.368) 4.224 3.159 ( -2.483 -1.363 1.554) 3.231 3.501 ( 2.423 -5.251 -4.778) 7.502 3.564 ( -0.841 -0.044 4.344) 4.425 3.602 ( 0.828 2.667 1.354) 3.103 3.687 ( -4.140 2.754 -0.120) 4.974 3.780 ( 7.913 4.887 0.025) 9.301 3.926 ( -2.619 2.219 -1.533) 3.759 4.013 ( 0.630 -3.300 0.943) 3.489 4.048 ( -1.961 -1.422 -1.219) 2.711 4.122 ( 3.822 -2.489 0.038) 4.561 4.187 ( 1.609 0.002 -0.839) 1.815 4.257 ( 2.189 -0.811 2.430) 3.370 4.322 ( -3.963 -2.253 -1.483) 4.794 4.393 ( 1.052 1.551 0.564) 1.957 4.520 ( -4.413 5.212 1.318) 6.955 4.569 ( 1.179 0.061 1.075) 1.596 4.623 ( -0.737 1.095 -1.983) 2.382 4.632 ( 2.235 2.530 -1.148) 3.565 4.762 ( -5.780 6.732 5.195) 10.281 5.128 ( 5.613 -7.702 -6.196) 11.367 5.251 ( -4.201 -6.080 4.250) 8.525 5.620 ( 4.445 -0.159 -7.583) 8.791 5.725 ( -3.779 0.304 7.979) 8.834 5.889 ( 3.330 -2.072 -3.931) 5.553 5.969 ( -2.656 -1.168 1.985) 3.515 11.624 ( 5.015 -0.616 1.286) 5.213 11.769 ( -5.420 -1.109 -1.563) 5.749 11.977 ( 2.973 2.781 5.636) 6.952 12.063 ( -3.169 3.399 -5.960) 7.558 12.764 ( 6.843 -6.382 4.626) 10.439 12.979 ( -8.735 -5.391 -5.155) 11.486 14.006 ( 9.873 5.441 4.295) 12.063 14.212 ( -4.868 5.573 -4.039) 8.430 15.073 ( -0.608 -5.367 -3.564) 6.471 15.118 ( -4.329 -6.910 4.935) 9.532 16.530 ( 7.513 5.681 0.021) 9.419 16.701 ( -4.905 4.339 -0.594) 6.576 ======================= Grid point 160 (85/89) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.759 7.201 -11.145) 13.291 1.680 ( 0.759 7.201 11.145) 13.291 1.836 ( -1.990 7.893 -11.760) 14.302 1.836 ( 1.990 7.893 11.760) 14.302 2.029 ( 4.151 -1.902 -8.697) 9.823 2.029 ( -4.151 -1.902 8.697) 9.823 2.194 ( -0.822 -3.594 -1.005) 3.821 2.194 ( 0.822 -3.594 1.005) 3.821 2.631 ( -2.329 -1.554 -2.893) 4.026 2.631 ( 2.329 -1.554 2.893) 4.026 2.740 ( -2.839 1.733 -4.139) 5.310 2.740 ( 2.839 1.733 4.139) 5.310 2.863 ( -1.306 3.416 -2.260) 4.299 2.863 ( 1.306 3.416 2.260) 4.299 3.047 ( 3.132 2.861 -3.520) 5.512 3.047 ( -3.132 2.861 3.520) 5.512 3.148 ( -2.625 -4.110 -5.371) 7.254 3.148 ( 2.625 -4.110 5.371) 7.254 3.513 ( -0.401 3.031 -7.012) 7.649 3.513 ( 0.401 3.031 7.012) 7.649 3.635 ( 3.009 -1.174 -2.137) 3.873 3.635 ( -3.009 -1.174 2.137) 3.873 3.817 ( -5.090 3.554 -5.268) 8.142 3.817 ( 5.090 3.554 5.268) 8.142 4.041 ( 0.927 -0.982 -3.005) 3.295 4.041 ( -0.927 -0.982 3.005) 3.295 4.230 ( 1.479 -3.174 -2.913) 4.554 4.230 ( -1.479 -3.174 2.913) 4.554 4.329 ( -2.303 -3.292 -1.708) 4.365 4.329 ( 2.303 -3.292 1.708) 4.365 4.384 ( -1.671 2.633 -1.238) 3.355 4.384 ( 1.671 2.633 1.238) 3.355 4.563 ( 3.412 5.535 -3.852) 7.558 4.563 ( -3.412 5.535 3.852) 7.558 4.617 ( -1.990 0.654 -1.209) 2.419 4.617 ( 1.990 0.654 1.209) 2.419 5.296 ( 1.981 -4.608 -3.075) 5.884 5.296 ( -1.981 -4.608 3.075) 5.884 5.690 ( 3.802 -1.398 -8.817) 9.703 5.690 ( -3.802 -1.398 8.817) 9.703 5.966 ( 1.545 -2.550 -1.784) 3.474 5.966 ( -1.545 -2.550 1.784) 3.474 11.708 ( -5.602 -0.325 -2.159) 6.013 11.708 ( 5.602 -0.325 2.159) 6.013 11.900 ( -1.529 8.786 -8.054) 12.016 11.900 ( 1.529 8.786 8.054) 12.016 13.089 ( -6.968 -18.154 -11.795) 22.743 13.089 ( 6.968 -18.154 11.795) 22.743 14.031 ( -8.052 4.917 -1.700) 9.586 14.031 ( 8.052 4.917 1.700) 9.586 15.105 ( 2.013 3.675 -5.953) 7.280 15.105 ( -2.013 3.675 5.953) 7.280 16.524 ( -4.444 6.063 -2.291) 7.859 16.524 ( 4.444 6.063 2.291) 7.859 ======================= Grid point 164 (86/89) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 9.324 -0.000 -6.310) 11.258 1.709 ( 5.686 -0.000 0.378) 5.699 1.847 ( 7.409 -0.000 -1.983) 7.670 1.937 ( 3.417 -0.000 -2.513) 4.242 2.026 ( 7.840 -0.000 8.415) 11.501 2.189 ( 3.625 -0.000 -1.742) 4.022 2.252 ( 0.615 -0.000 -10.012) 10.031 2.428 ( -3.438 0.000 6.848) 7.662 2.516 ( -5.854 0.000 -5.264) 7.873 2.634 ( -5.921 0.000 16.359) 17.398 2.678 ( 1.188 -0.000 -2.194) 2.495 2.692 ( 1.589 -0.000 -2.702) 3.135 2.859 ( -2.580 0.000 3.325) 4.208 2.889 ( 0.193 -0.000 2.363) 2.371 2.999 ( 1.313 -0.000 -3.225) 3.482 3.084 ( -0.434 0.000 0.710) 0.832 3.091 ( 0.766 -0.000 -0.924) 1.200 3.192 ( 6.345 -0.000 6.428) 9.032 3.233 ( -4.282 0.000 -0.609) 4.325 3.379 ( -3.973 0.000 0.365) 3.990 3.589 ( 3.987 -0.000 -7.523) 8.514 3.596 ( -4.433 0.000 1.419) 4.655 3.836 ( 5.644 -0.000 0.161) 5.647 3.938 ( -0.374 0.000 0.578) 0.688 3.941 ( 1.397 -0.000 0.617) 1.527 4.115 ( -2.524 0.000 0.774) 2.640 4.199 ( -1.451 0.000 2.729) 3.091 4.270 ( -2.020 0.000 -3.717) 4.230 4.331 ( 1.503 -0.000 2.191) 2.657 4.369 ( 1.173 -0.000 -1.103) 1.610 4.474 ( 1.829 -0.000 -2.989) 3.504 4.517 ( 4.943 -0.000 -13.100) 14.001 4.602 ( 2.381 -0.000 -4.510) 5.100 4.610 ( 2.441 -0.000 6.247) 6.707 4.678 ( -1.939 0.000 1.269) 2.317 4.725 ( 0.002 -0.000 -1.712) 1.712 5.103 ( -6.045 0.000 4.081) 7.294 5.141 ( -6.065 0.000 9.398) 11.185 5.656 ( 3.336 -0.000 0.559) 3.382 5.780 ( 0.424 -0.000 -6.426) 6.440 5.922 ( -4.093 0.000 -0.973) 4.207 5.927 ( -3.696 0.000 4.389) 5.738 11.572 ( 0.831 -0.000 3.666) 3.759 11.670 ( -1.347 0.000 0.353) 1.392 11.722 ( 3.498 -0.000 4.161) 5.436 11.960 ( -2.066 0.000 -1.221) 2.400 13.232 ( -0.268 0.000 -12.010) 12.013 13.471 ( -3.239 0.000 14.292) 14.655 13.940 ( 2.388 -0.000 1.767) 2.971 14.229 ( -12.588 0.000 -10.802) 16.587 14.586 ( 8.038 -0.000 -12.553) 14.906 14.853 ( -3.807 0.000 17.254) 17.669 16.609 ( 6.421 -0.000 -5.497) 8.453 16.689 ( 4.034 -0.000 3.332) 5.232 ======================= Grid point 165 (87/89) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 4.738 -0.736 -0.432) 4.815 1.804 ( 2.227 -2.710 1.272) 3.731 1.923 ( 8.108 2.227 -8.788) 12.163 2.018 ( 6.256 0.171 -0.614) 6.288 2.096 ( 3.296 1.586 8.726) 9.461 2.203 ( 1.420 3.889 -0.183) 4.144 2.244 ( -1.972 2.482 -5.366) 6.232 2.361 ( 2.696 -1.046 -3.517) 4.553 2.411 ( -6.283 4.942 -1.159) 8.077 2.550 ( -10.091 -3.787 11.387) 15.679 2.730 ( 4.826 -1.417 -0.938) 5.116 2.750 ( 6.047 -0.405 -1.768) 6.313 2.848 ( -3.700 -2.734 5.578) 7.230 2.885 ( -2.671 -1.018 -2.151) 3.577 3.010 ( 1.462 1.295 -3.319) 3.851 3.054 ( -0.356 1.519 0.819) 1.762 3.113 ( -0.883 -0.969 0.661) 1.468 3.186 ( -3.440 1.128 2.158) 4.215 3.264 ( 3.760 -4.269 -2.246) 6.116 3.382 ( -5.298 -5.208 2.989) 8.008 3.621 ( 3.530 -3.807 2.401) 5.720 3.667 ( 1.713 -4.222 -4.933) 6.715 3.892 ( 1.963 -0.223 -0.012) 1.976 3.909 ( 0.403 1.342 0.793) 1.610 3.973 ( 1.715 0.385 -0.304) 1.784 4.068 ( -3.475 0.830 0.093) 3.574 4.172 ( 0.614 2.522 0.227) 2.605 4.229 ( -2.257 0.006 -0.034) 2.258 4.325 ( 0.904 3.002 3.150) 4.444 4.345 ( -0.639 3.723 -4.137) 5.602 4.462 ( 3.921 2.828 -2.922) 5.649 4.578 ( -1.344 1.725 -0.186) 2.195 4.627 ( -0.711 0.853 -0.809) 1.374 4.637 ( 0.739 -0.335 1.506) 1.711 4.700 ( 1.272 -3.261 -0.019) 3.500 4.713 ( 1.061 -3.619 -4.301) 5.720 5.030 ( -1.262 1.606 0.881) 2.224 5.094 ( -5.676 -2.221 7.190) 9.426 5.679 ( 4.012 2.712 -2.967) 5.679 5.785 ( -3.147 1.480 2.075) 4.050 5.841 ( 1.035 0.096 -3.719) 3.861 5.919 ( -3.662 -2.215 2.885) 5.161 11.608 ( 2.618 -1.375 1.850) 3.489 11.688 ( -3.090 -3.969 -0.218) 5.035 11.813 ( 4.863 -4.913 5.671) 8.941 11.935 ( -3.741 -2.735 -3.272) 5.673 13.089 ( 3.973 15.972 -9.431) 18.969 13.268 ( -8.483 15.172 8.266) 19.248 14.023 ( 8.408 -6.246 4.568) 11.427 14.260 ( -9.282 -10.494 -7.771) 16.021 14.693 ( 5.895 -5.039 -10.784) 13.284 14.846 ( -5.839 -5.081 13.447) 15.515 16.661 ( 5.784 1.999 -1.971) 6.430 16.739 ( -0.104 -1.189 0.944) 1.522 ======================= Grid point 166 (88/89) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 1.719 -0.271 -3.943) 4.310 1.829 ( -1.719 -0.271 3.943) 4.310 1.989 ( 3.881 1.157 -8.095) 9.051 1.989 ( -3.881 1.157 8.095) 9.051 2.079 ( 0.959 5.679 -5.803) 8.176 2.079 ( -0.959 5.679 5.803) 8.176 2.217 ( 0.536 6.226 -2.839) 6.863 2.217 ( -0.536 6.226 2.839) 6.863 2.514 ( 7.302 -5.757 -6.983) 11.629 2.514 ( -7.302 -5.757 6.983) 11.629 2.819 ( 0.934 0.555 -7.630) 7.707 2.819 ( -0.934 0.555 7.630) 7.707 2.868 ( -4.893 -4.125 -2.119) 6.741 2.868 ( 4.893 -4.125 2.119) 6.741 2.997 ( 1.802 1.272 -2.071) 3.026 2.997 ( -1.802 1.272 2.071) 3.026 3.132 ( 1.206 0.652 -6.182) 6.332 3.132 ( -1.206 0.652 6.182) 6.332 3.428 ( 4.490 -7.896 -6.144) 10.966 3.428 ( -4.490 -7.896 6.144) 10.966 3.698 ( -2.711 1.382 -2.091) 3.692 3.698 ( 2.711 1.382 2.091) 3.692 3.908 ( -2.302 -0.180 -0.284) 2.326 3.908 ( 2.302 -0.180 0.284) 2.326 3.998 ( -2.748 0.518 -2.947) 4.063 3.998 ( 2.748 0.518 2.947) 4.063 4.178 ( 0.185 1.313 -2.657) 2.970 4.178 ( -0.185 1.313 2.657) 2.970 4.277 ( -1.240 2.026 -2.458) 3.417 4.277 ( 1.240 2.026 2.458) 3.417 4.485 ( -2.238 2.139 -2.778) 4.159 4.485 ( 2.238 2.139 2.778) 4.159 4.616 ( 0.068 1.446 -2.801) 3.153 4.616 ( -0.068 1.446 2.801) 3.153 4.752 ( 0.121 0.814 -4.266) 4.345 4.752 ( -0.121 0.814 4.266) 4.345 5.080 ( 4.998 -5.215 -6.752) 9.888 5.080 ( -4.998 -5.215 6.752) 9.888 5.690 ( 3.612 1.988 -7.164) 8.266 5.690 ( -3.612 1.988 7.164) 8.266 5.905 ( 2.782 -1.702 -4.257) 5.363 5.905 ( -2.782 -1.702 4.257) 5.363 11.679 ( -4.960 -1.246 -1.349) 5.289 11.679 ( 4.960 -1.246 1.349) 5.289 11.977 ( -3.273 -6.770 -4.932) 8.993 11.977 ( 3.273 -6.770 4.932) 8.993 12.917 ( 4.603 11.586 -4.818) 13.365 12.917 ( -4.603 11.586 4.818) 13.365 14.206 ( -9.311 1.926 -7.658) 12.208 14.206 ( 9.311 1.926 7.658) 12.208 14.909 ( 3.220 -11.787 -8.157) 14.692 14.909 ( -3.220 -11.787 8.157) 14.692 16.694 ( -4.237 2.766 -0.912) 5.141 16.694 ( 4.237 2.766 0.912) 5.141 ======================= Grid point 173 (89/89) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.306 0.000 -3.900) 3.912 1.793 ( 0.306 -0.000 3.900) 3.912 2.037 ( 3.873 -0.000 -6.744) 7.777 2.037 ( -3.873 0.000 6.744) 7.777 2.180 ( -6.574 0.000 -5.143) 8.347 2.180 ( 6.574 -0.000 5.143) 8.347 2.305 ( 5.514 -0.000 -4.750) 7.278 2.305 ( -5.514 0.000 4.750) 7.278 2.444 ( 3.595 -0.000 -13.562) 14.030 2.444 ( -3.595 0.000 13.562) 14.030 2.771 ( 2.537 -0.000 -3.576) 4.385 2.771 ( -2.537 0.000 3.576) 4.385 2.832 ( 4.303 -0.000 -1.507) 4.559 2.832 ( -4.303 0.000 1.507) 4.559 3.051 ( 1.912 -0.000 -5.746) 6.055 3.051 ( -1.912 0.000 5.746) 6.055 3.112 ( -3.336 0.000 -3.138) 4.580 3.112 ( 3.336 -0.000 3.138) 4.580 3.299 ( -2.773 0.000 -0.708) 2.862 3.299 ( 2.773 -0.000 0.708) 2.862 3.614 ( -2.305 0.000 -4.421) 4.985 3.614 ( 2.305 -0.000 4.421) 4.985 3.914 ( -0.925 0.000 -0.872) 1.272 3.914 ( 0.925 -0.000 0.872) 1.272 4.021 ( -4.530 0.000 -0.008) 4.530 4.021 ( 4.530 -0.000 0.008) 4.530 4.199 ( -1.907 0.000 -4.001) 4.433 4.199 ( 1.907 -0.000 4.001) 4.433 4.371 ( -1.223 0.000 -4.052) 4.233 4.371 ( 1.223 -0.000 4.052) 4.233 4.564 ( 5.053 -0.000 -3.169) 5.965 4.564 ( -5.053 0.000 3.169) 5.965 4.629 ( -0.077 0.000 -3.844) 3.845 4.629 ( 0.077 -0.000 3.844) 3.845 4.674 ( 4.521 -0.000 -4.780) 6.580 4.674 ( -4.521 0.000 4.780) 6.580 5.039 ( 1.105 -0.000 -3.108) 3.299 5.039 ( -1.105 0.000 3.108) 3.299 5.764 ( 3.778 -0.000 -2.633) 4.605 5.764 ( -3.778 0.000 2.633) 4.605 5.851 ( 1.209 -0.000 -7.814) 7.907 5.851 ( -1.209 0.000 7.814) 7.907 11.618 ( -2.378 0.000 -1.501) 2.812 11.618 ( 2.378 -0.000 1.501) 2.812 11.849 ( -5.618 0.000 -4.492) 7.193 11.849 ( 5.618 -0.000 4.492) 7.193 13.331 ( 6.853 -0.000 -12.032) 13.847 13.331 ( -6.853 0.000 12.032) 13.847 14.012 ( -4.299 0.000 -5.366) 6.876 14.012 ( 4.299 -0.000 5.366) 6.876 14.749 ( 5.058 -0.000 -16.448) 17.209 14.749 ( -5.058 0.000 16.448) 17.209 16.721 ( 1.839 -0.000 -3.568) 4.014 16.721 ( -1.839 0.000 3.568) 4.014 =================== 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 3/15552 10.0 818.602 496.695 796.804 -0.000 212.998 -0.000 3/15552 20.0 97.440 76.257 83.808 -0.000 10.101 -0.000 3/15552 30.0 35.687 29.260 32.678 -0.000 2.020 -0.000 3/15552 40.0 19.921 16.712 19.240 -0.000 0.679 -0.000 3/15552 50.0 13.549 11.592 13.609 -0.000 0.271 -0.000 3/15552 60.0 10.276 8.934 10.622 -0.000 0.096 -0.000 3/15552 70.0 8.321 7.326 8.784 -0.000 0.004 -0.000 3/15552 80.0 7.027 6.251 7.537 -0.000 -0.047 -0.000 3/15552 90.0 6.106 5.480 6.629 -0.000 -0.077 -0.000 3/15552 100.0 5.416 4.899 5.935 -0.000 -0.094 -0.000 3/15552 110.0 4.876 4.444 5.384 0.000 -0.104 -0.000 3/15552 120.0 4.442 4.077 4.934 0.000 -0.108 -0.000 3/15552 130.0 4.084 3.774 4.558 0.000 -0.110 -0.000 3/15552 140.0 3.783 3.517 4.239 0.000 -0.110 -0.000 3/15552 150.0 3.526 3.298 3.964 0.000 -0.108 -0.000 3/15552 160.0 3.304 3.107 3.724 0.000 -0.106 -0.000 3/15552 170.0 3.109 2.939 3.513 0.000 -0.103 -0.000 3/15552 180.0 2.937 2.789 3.325 0.000 -0.100 -0.000 3/15552 190.0 2.783 2.655 3.157 0.000 -0.097 -0.000 3/15552 200.0 2.646 2.534 3.005 0.000 -0.094 -0.000 3/15552 210.0 2.522 2.424 2.867 0.000 -0.091 -0.000 3/15552 220.0 2.409 2.324 2.742 0.000 -0.088 -0.000 3/15552 230.0 2.306 2.232 2.628 0.000 -0.086 -0.000 3/15552 240.0 2.212 2.147 2.523 0.000 -0.083 -0.000 3/15552 250.0 2.125 2.068 2.425 0.000 -0.080 -0.000 3/15552 260.0 2.045 1.995 2.336 0.000 -0.078 -0.000 3/15552 270.0 1.971 1.927 2.252 0.000 -0.076 -0.000 3/15552 280.0 1.902 1.864 2.175 0.000 -0.074 -0.000 3/15552 290.0 1.838 1.805 2.102 0.000 -0.071 -0.000 3/15552 300.0 1.778 1.749 2.035 0.000 -0.070 -0.000 3/15552 310.0 1.722 1.696 1.971 0.000 -0.068 -0.000 3/15552 320.0 1.669 1.647 1.912 0.000 -0.066 -0.000 3/15552 330.0 1.620 1.600 1.856 0.000 -0.064 -0.000 3/15552 340.0 1.573 1.556 1.803 0.000 -0.063 -0.000 3/15552 350.0 1.529 1.515 1.753 0.000 -0.061 -0.000 3/15552 360.0 1.487 1.475 1.706 0.000 -0.060 -0.000 3/15552 370.0 1.448 1.438 1.661 0.000 -0.058 -0.000 3/15552 380.0 1.411 1.402 1.618 0.000 -0.057 -0.000 3/15552 390.0 1.375 1.368 1.578 0.000 -0.055 -0.000 3/15552 400.0 1.341 1.336 1.539 0.000 -0.054 -0.000 3/15552 410.0 1.309 1.305 1.503 0.000 -0.053 -0.000 3/15552 420.0 1.279 1.275 1.468 0.000 -0.052 -0.000 3/15552 430.0 1.250 1.247 1.435 0.000 -0.051 -0.000 3/15552 440.0 1.222 1.220 1.403 0.000 -0.050 -0.000 3/15552 450.0 1.195 1.194 1.372 0.000 -0.049 -0.000 3/15552 460.0 1.169 1.169 1.343 0.000 -0.048 -0.000 3/15552 470.0 1.145 1.145 1.315 0.000 -0.047 -0.000 3/15552 480.0 1.121 1.123 1.288 0.000 -0.046 -0.000 3/15552 490.0 1.099 1.101 1.263 0.000 -0.045 -0.000 3/15552 500.0 1.077 1.079 1.238 0.000 -0.044 -0.000 3/15552 510.0 1.057 1.059 1.214 0.000 -0.043 -0.000 3/15552 520.0 1.037 1.039 1.191 0.000 -0.043 -0.000 3/15552 530.0 1.017 1.021 1.169 0.000 -0.042 -0.000 3/15552 540.0 0.999 1.002 1.148 0.000 -0.041 -0.000 3/15552 550.0 0.981 0.985 1.128 0.000 -0.041 -0.000 3/15552 560.0 0.964 0.968 1.108 0.000 -0.040 -0.000 3/15552 570.0 0.947 0.951 1.089 0.000 -0.039 -0.000 3/15552 580.0 0.931 0.935 1.070 0.000 -0.039 -0.000 3/15552 590.0 0.915 0.920 1.052 0.000 -0.038 -0.000 3/15552 600.0 0.900 0.905 1.035 0.000 -0.037 -0.000 3/15552 610.0 0.886 0.891 1.018 0.000 -0.037 -0.000 3/15552 620.0 0.871 0.877 1.002 0.000 -0.036 -0.000 3/15552 630.0 0.858 0.863 0.987 0.000 -0.036 -0.000 3/15552 640.0 0.845 0.850 0.971 0.000 -0.035 -0.000 3/15552 650.0 0.832 0.837 0.957 0.000 -0.035 -0.000 3/15552 660.0 0.819 0.825 0.942 0.000 -0.034 -0.000 3/15552 670.0 0.807 0.813 0.929 0.000 -0.034 -0.000 3/15552 680.0 0.795 0.801 0.915 0.000 -0.033 -0.000 3/15552 690.0 0.784 0.790 0.902 0.000 -0.033 -0.000 3/15552 700.0 0.773 0.779 0.889 0.000 -0.032 -0.000 3/15552 710.0 0.762 0.768 0.877 0.000 -0.032 -0.000 3/15552 720.0 0.752 0.758 0.865 0.000 -0.031 -0.000 3/15552 730.0 0.742 0.748 0.853 0.000 -0.031 -0.000 3/15552 740.0 0.732 0.738 0.842 0.000 -0.031 -0.000 3/15552 750.0 0.722 0.728 0.831 0.000 -0.030 -0.000 3/15552 760.0 0.713 0.719 0.820 0.000 -0.030 -0.000 3/15552 770.0 0.703 0.710 0.810 0.000 -0.030 -0.000 3/15552 780.0 0.695 0.701 0.799 0.000 -0.029 -0.000 3/15552 790.0 0.686 0.692 0.789 0.000 -0.029 -0.000 3/15552 800.0 0.677 0.684 0.780 0.000 -0.028 -0.000 3/15552 810.0 0.669 0.675 0.770 0.000 -0.028 -0.000 3/15552 820.0 0.661 0.667 0.761 0.000 -0.028 -0.000 3/15552 830.0 0.653 0.659 0.752 0.000 -0.027 -0.000 3/15552 840.0 0.645 0.652 0.743 0.000 -0.027 -0.000 3/15552 850.0 0.638 0.644 0.734 0.000 -0.027 -0.000 3/15552 860.0 0.630 0.637 0.726 0.000 -0.027 -0.000 3/15552 870.0 0.623 0.630 0.717 0.000 -0.026 -0.000 3/15552 880.0 0.616 0.623 0.709 0.000 -0.026 -0.000 3/15552 890.0 0.609 0.616 0.702 0.000 -0.026 -0.000 3/15552 900.0 0.603 0.609 0.694 0.000 -0.025 -0.000 3/15552 910.0 0.596 0.602 0.686 0.000 -0.025 -0.000 3/15552 920.0 0.590 0.596 0.679 0.000 -0.025 -0.000 3/15552 930.0 0.583 0.590 0.672 0.000 -0.025 -0.000 3/15552 940.0 0.577 0.583 0.665 0.000 -0.024 -0.000 3/15552 950.0 0.571 0.577 0.658 0.000 -0.024 -0.000 3/15552 960.0 0.565 0.571 0.651 0.000 -0.024 -0.000 3/15552 970.0 0.560 0.566 0.644 0.000 -0.024 -0.000 3/15552 980.0 0.554 0.560 0.638 0.000 -0.023 -0.000 3/15552 990.0 0.548 0.554 0.631 0.000 -0.023 -0.000 3/15552 1000.0 0.543 0.549 0.625 0.000 -0.023 -0.000 3/15552 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:08:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|