----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:52:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.386486270819063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.134958999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): *1 S 0.49708824707400 0.69762754089706 0.98456046902195 32.065 2 S 0.49708824707400 0.30237245910294 0.48456046902194 32.065 *3 S 0.16902305764220 0.77646761784972 0.21489067595991 32.065 4 S 0.16902305764220 0.22353238215028 0.71489067595991 32.065 *5 S 0.89496857500563 0.00062825047827 0.36713103651482 32.065 6 S 0.89496857500563 0.99937174952173 0.86713103651483 32.065 *7 S 0.87981813569111 0.45947345522487 0.38807639294680 32.065 8 S 0.87981813569111 0.54052654477513 0.88807639294680 32.065 *9 S 0.38474480021527 0.74090608768653 0.64021613165765 32.065 10 S 0.38474480021527 0.25909391231347 0.14021613165765 32.065 *11 S 0.83826610236661 0.73087171000668 0.60764756067580 32.065 12 S 0.83826610236661 0.26912828999332 0.10764756067580 32.065 *13 Nb 0.00177700978337 0.73782153997350 0.49917753853472 92.906 14 Nb 0.00177700978337 0.26217846002650 0.99917753853472 92.906 *15 Ag 0.28781277761146 0.38149843556573 0.59008408683374 107.868 16 Ag 0.28781277761146 0.61850156443427 0.09008408683374 107.868 *17 Ag 0.17249568320823 0.46555842989957 0.84706836313550 107.868 18 Ag 0.17249568320823 0.53444157010043 0.34706836313550 107.868 *19 Ag 0.52367337810500 0.09764498586253 0.79513247511709 107.868 20 Ag 0.52367337810500 0.90235501413747 0.29513247511709 107.868 *21 Ag 0.75474160487635 0.29450815968577 0.71816768702819 107.868 22 Ag 0.75474160487635 0.70549184031423 0.21816768702819 107.868 *23 Ag 0.22015946851873 0.16442882300372 0.27026279740074 107.868 24 Ag 0.22015946851873 0.83557117699628 0.77026279740074 107.868 *25 Ag 0.34919750480845 0.98822649687870 0.01352567844339 107.868 26 Ag 0.34919750480845 0.01177350312130 0.51352567844339 107.868 *27 Ag 0.79323364509359 0.06948584898591 0.53605911672968 107.868 28 Ag 0.79323364509359 0.93051415101409 0.03605911672968 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.386486270819063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.134958999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): *1 S 0.49708824707400 0.69762754089706 0.98456046902195 32.065 > 1 2 S 0.49708824707400 0.30237245910294 0.48456046902194 32.065 > 2 *3 S 0.16902305764220 0.77646761784972 0.21489067595991 32.065 > 3 4 S 0.16902305764220 0.22353238215028 0.71489067595991 32.065 > 4 *5 S 0.89496857500563 0.00062825047827 0.36713103651482 32.065 > 5 6 S 0.89496857500563 0.99937174952173 0.86713103651483 32.065 > 6 *7 S 0.87981813569111 0.45947345522487 0.38807639294680 32.065 > 7 8 S 0.87981813569111 0.54052654477513 0.88807639294680 32.065 > 8 *9 S 0.38474480021527 0.74090608768653 0.64021613165765 32.065 > 9 10 S 0.38474480021527 0.25909391231347 0.14021613165765 32.065 > 10 *11 S 0.83826610236661 0.73087171000668 0.60764756067580 32.065 > 11 12 S 0.83826610236661 0.26912828999332 0.10764756067580 32.065 > 12 *13 Nb 0.00177700978337 0.73782153997350 0.49917753853472 92.906 > 13 14 Nb 0.00177700978337 0.26217846002650 0.99917753853472 92.906 > 14 *15 Ag 0.28781277761146 0.38149843556573 0.59008408683374 107.868 > 15 16 Ag 0.28781277761146 0.61850156443427 0.09008408683374 107.868 > 16 *17 Ag 0.17249568320823 0.46555842989957 0.84706836313550 107.868 > 17 18 Ag 0.17249568320823 0.53444157010043 0.34706836313550 107.868 > 18 *19 Ag 0.52367337810500 0.09764498586253 0.79513247511709 107.868 > 19 20 Ag 0.52367337810500 0.90235501413747 0.29513247511709 107.868 > 20 *21 Ag 0.75474160487635 0.29450815968577 0.71816768702819 107.868 > 21 22 Ag 0.75474160487635 0.70549184031423 0.21816768702819 107.868 > 22 *23 Ag 0.22015946851873 0.16442882300372 0.27026279740074 107.868 > 23 24 Ag 0.22015946851873 0.83557117699628 0.77026279740074 107.868 > 24 *25 Ag 0.34919750480845 0.98822649687870 0.01352567844339 107.868 > 25 26 Ag 0.34919750480845 0.01177350312130 0.51352567844339 107.868 > 26 *27 Ag 0.79323364509359 0.06948584898591 0.53605911672968 107.868 > 27 28 Ag 0.79323364509359 0.93051415101409 0.03605911672968 107.868 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.772972541638126 0.000000000000000 0.000000000000000 b 0.000000000000000 14.269917999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): *1 S 0.24854412353700 0.34881377044853 0.98456046902195 32.065 > 1 2 S 0.74854412353700 0.34881377044853 0.98456046902195 32.065 > 1 3 S 0.24854412353700 0.84881377044853 0.98456046902195 32.065 > 1 4 S 0.74854412353700 0.84881377044853 0.98456046902195 32.065 > 1 5 S 0.24854412353700 0.15118622955147 0.48456046902194 32.065 > 2 6 S 0.74854412353700 0.15118622955147 0.48456046902194 32.065 > 2 7 S 0.24854412353700 0.65118622955147 0.48456046902194 32.065 > 2 8 S 0.74854412353700 0.65118622955147 0.48456046902194 32.065 > 2 *9 S 0.08451152882110 0.38823380892486 0.21489067595991 32.065 > 3 10 S 0.58451152882110 0.38823380892486 0.21489067595991 32.065 > 3 11 S 0.08451152882110 0.88823380892486 0.21489067595991 32.065 > 3 12 S 0.58451152882110 0.88823380892486 0.21489067595991 32.065 > 3 13 S 0.08451152882110 0.11176619107514 0.71489067595991 32.065 > 4 14 S 0.58451152882110 0.11176619107514 0.71489067595991 32.065 > 4 15 S 0.08451152882110 0.61176619107514 0.71489067595991 32.065 > 4 16 S 0.58451152882110 0.61176619107514 0.71489067595991 32.065 > 4 *17 S 0.44748428750282 0.00031412523914 0.36713103651482 32.065 > 5 18 S 0.94748428750282 0.00031412523914 0.36713103651482 32.065 > 5 19 S 0.44748428750282 0.50031412523914 0.36713103651482 32.065 > 5 20 S 0.94748428750282 0.50031412523914 0.36713103651482 32.065 > 5 21 S 0.44748428750282 0.49968587476086 0.86713103651483 32.065 > 6 22 S 0.94748428750282 0.49968587476086 0.86713103651483 32.065 > 6 23 S 0.44748428750282 0.99968587476086 0.86713103651483 32.065 > 6 24 S 0.94748428750282 0.99968587476086 0.86713103651483 32.065 > 6 *25 S 0.43990906784556 0.22973672761243 0.38807639294680 32.065 > 7 26 S 0.93990906784556 0.22973672761243 0.38807639294680 32.065 > 7 27 S 0.43990906784556 0.72973672761243 0.38807639294680 32.065 > 7 28 S 0.93990906784556 0.72973672761243 0.38807639294680 32.065 > 7 29 S 0.43990906784556 0.27026327238757 0.88807639294680 32.065 > 8 30 S 0.93990906784556 0.27026327238757 0.88807639294680 32.065 > 8 31 S 0.43990906784556 0.77026327238757 0.88807639294680 32.065 > 8 32 S 0.93990906784556 0.77026327238757 0.88807639294680 32.065 > 8 *33 S 0.19237240010764 0.37045304384326 0.64021613165765 32.065 > 9 34 S 0.69237240010764 0.37045304384326 0.64021613165765 32.065 > 9 35 S 0.19237240010764 0.87045304384326 0.64021613165765 32.065 > 9 36 S 0.69237240010764 0.87045304384326 0.64021613165765 32.065 > 9 37 S 0.19237240010764 0.12954695615674 0.14021613165765 32.065 > 10 38 S 0.69237240010764 0.12954695615674 0.14021613165765 32.065 > 10 39 S 0.19237240010764 0.62954695615674 0.14021613165765 32.065 > 10 40 S 0.69237240010764 0.62954695615674 0.14021613165765 32.065 > 10 *41 S 0.41913305118331 0.36543585500334 0.60764756067580 32.065 > 11 42 S 0.91913305118331 0.36543585500334 0.60764756067580 32.065 > 11 43 S 0.41913305118331 0.86543585500334 0.60764756067580 32.065 > 11 44 S 0.91913305118331 0.86543585500334 0.60764756067580 32.065 > 11 45 S 0.41913305118331 0.13456414499666 0.10764756067580 32.065 > 12 46 S 0.91913305118331 0.13456414499666 0.10764756067580 32.065 > 12 47 S 0.41913305118331 0.63456414499666 0.10764756067580 32.065 > 12 48 S 0.91913305118331 0.63456414499666 0.10764756067580 32.065 > 12 *49 Nb 0.00088850489169 0.36891076998675 0.49917753853472 92.906 > 13 50 Nb 0.50088850489169 0.36891076998675 0.49917753853472 92.906 > 13 51 Nb 0.00088850489169 0.86891076998675 0.49917753853472 92.906 > 13 52 Nb 0.50088850489169 0.86891076998675 0.49917753853472 92.906 > 13 53 Nb 0.00088850489169 0.13108923001325 0.99917753853472 92.906 > 14 54 Nb 0.50088850489169 0.13108923001325 0.99917753853472 92.906 > 14 55 Nb 0.00088850489169 0.63108923001325 0.99917753853472 92.906 > 14 56 Nb 0.50088850489169 0.63108923001325 0.99917753853472 92.906 > 14 *57 Ag 0.14390638880573 0.19074921778286 0.59008408683374 107.868 > 15 58 Ag 0.64390638880573 0.19074921778286 0.59008408683374 107.868 > 15 59 Ag 0.14390638880573 0.69074921778287 0.59008408683374 107.868 > 15 60 Ag 0.64390638880573 0.69074921778287 0.59008408683374 107.868 > 15 61 Ag 0.14390638880573 0.30925078221713 0.09008408683374 107.868 > 16 62 Ag 0.64390638880573 0.30925078221713 0.09008408683374 107.868 > 16 63 Ag 0.14390638880573 0.80925078221713 0.09008408683374 107.868 > 16 64 Ag 0.64390638880573 0.80925078221713 0.09008408683374 107.868 > 16 *65 Ag 0.08624784160411 0.23277921494979 0.84706836313550 107.868 > 17 66 Ag 0.58624784160411 0.23277921494979 0.84706836313550 107.868 > 17 67 Ag 0.08624784160411 0.73277921494979 0.84706836313550 107.868 > 17 68 Ag 0.58624784160411 0.73277921494979 0.84706836313550 107.868 > 17 69 Ag 0.08624784160411 0.26722078505021 0.34706836313550 107.868 > 18 70 Ag 0.58624784160411 0.26722078505021 0.34706836313550 107.868 > 18 71 Ag 0.08624784160411 0.76722078505021 0.34706836313550 107.868 > 18 72 Ag 0.58624784160411 0.76722078505021 0.34706836313550 107.868 > 18 *73 Ag 0.26183668905250 0.04882249293126 0.79513247511709 107.868 > 19 74 Ag 0.76183668905250 0.04882249293126 0.79513247511709 107.868 > 19 75 Ag 0.26183668905250 0.54882249293126 0.79513247511709 107.868 > 19 76 Ag 0.76183668905250 0.54882249293126 0.79513247511709 107.868 > 19 77 Ag 0.26183668905250 0.45117750706873 0.29513247511709 107.868 > 20 78 Ag 0.76183668905250 0.45117750706873 0.29513247511709 107.868 > 20 79 Ag 0.26183668905250 0.95117750706873 0.29513247511709 107.868 > 20 80 Ag 0.76183668905250 0.95117750706873 0.29513247511709 107.868 > 20 *81 Ag 0.37737080243818 0.14725407984288 0.71816768702819 107.868 > 21 82 Ag 0.87737080243818 0.14725407984288 0.71816768702819 107.868 > 21 83 Ag 0.37737080243818 0.64725407984288 0.71816768702819 107.868 > 21 84 Ag 0.87737080243818 0.64725407984288 0.71816768702819 107.868 > 21 85 Ag 0.37737080243818 0.35274592015712 0.21816768702819 107.868 > 22 86 Ag 0.87737080243818 0.35274592015712 0.21816768702819 107.868 > 22 87 Ag 0.37737080243818 0.85274592015712 0.21816768702819 107.868 > 22 88 Ag 0.87737080243818 0.85274592015712 0.21816768702819 107.868 > 22 *89 Ag 0.11007973425936 0.08221441150186 0.27026279740074 107.868 > 23 90 Ag 0.61007973425936 0.08221441150186 0.27026279740074 107.868 > 23 91 Ag 0.11007973425936 0.58221441150186 0.27026279740074 107.868 > 23 92 Ag 0.61007973425936 0.58221441150186 0.27026279740074 107.868 > 23 93 Ag 0.11007973425936 0.41778558849814 0.77026279740074 107.868 > 24 94 Ag 0.61007973425936 0.41778558849814 0.77026279740074 107.868 > 24 95 Ag 0.11007973425936 0.91778558849814 0.77026279740074 107.868 > 24 96 Ag 0.61007973425936 0.91778558849814 0.77026279740074 107.868 > 24 *97 Ag 0.17459875240423 0.49411324843935 0.01352567844339 107.868 > 25 98 Ag 0.67459875240423 0.49411324843935 0.01352567844339 107.868 > 25 99 Ag 0.17459875240423 0.99411324843935 0.01352567844339 107.868 > 25 100 Ag 0.67459875240423 0.99411324843935 0.01352567844339 107.868 > 25 101 Ag 0.17459875240423 0.00588675156065 0.51352567844339 107.868 > 26 102 Ag 0.67459875240423 0.00588675156065 0.51352567844339 107.868 > 26 103 Ag 0.17459875240423 0.50588675156065 0.51352567844339 107.868 > 26 104 Ag 0.67459875240423 0.50588675156065 0.51352567844339 107.868 > 26 *105 Ag 0.39661682254679 0.03474292449295 0.53605911672968 107.868 > 27 106 Ag 0.89661682254679 0.03474292449295 0.53605911672968 107.868 > 27 107 Ag 0.39661682254679 0.53474292449295 0.53605911672968 107.868 > 27 108 Ag 0.89661682254679 0.53474292449295 0.53605911672968 107.868 > 27 109 Ag 0.39661682254679 0.46525707550705 0.03605911672968 107.868 > 28 110 Ag 0.89661682254679 0.46525707550705 0.03605911672968 107.868 > 28 111 Ag 0.39661682254679 0.96525707550705 0.03605911672968 107.868 > 28 112 Ag 0.89661682254679 0.96525707550705 0.03605911672968 107.868 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0867909 0.0000000 0.1398184 0.0000000 10.4475893 0.0000000 0.1399657 0.0000000 10.5746648 -------------------------- Born effective charges -------------------------- 1 S -1.7038350 -0.3704893 -0.1499845 -0.4916200 -1.5777156 0.0560880 -0.0498484 0.0820146 -1.9913013 2 S -1.7038350 0.3704893 -0.1499845 0.4916200 -1.5777156 -0.0560880 -0.0498484 -0.0820146 -1.9913013 3 S -2.0817622 -0.0570168 -0.0931121 -0.1330570 -2.1611296 -0.0741556 0.0822302 0.0845745 -1.8355773 4 S -2.0817622 0.0570168 -0.0931121 0.1330570 -2.1611296 0.0741556 0.0822302 -0.0845745 -1.8355773 5 S -0.8721937 0.1802443 -0.1557940 -0.0349563 -1.4485277 0.5075898 0.1590663 0.6090562 -1.5338443 6 S -0.8721937 -0.1802443 -0.1557940 0.0349563 -1.4485277 -0.5075898 0.1590663 -0.6090562 -1.5338443 7 S -0.7334053 0.4803624 0.2328259 0.2575903 -2.1813903 -0.4308081 -0.2104989 -0.7849371 -1.5360254 8 S -0.7334053 -0.4803624 0.2328259 -0.2575903 -2.1813903 0.4308081 -0.2104989 0.7849371 -1.5360254 9 S -1.6129623 0.0065085 -0.6114433 -0.1378176 -1.0579069 -0.4697077 -0.7906416 -0.3468158 -1.6205469 10 S -1.6129623 -0.0065085 -0.6114433 0.1378176 -1.0579069 0.4697077 -0.7906416 0.3468158 -1.6205469 11 S -1.9255795 -0.0720430 0.8472497 0.1958975 -0.7591792 0.0251200 1.1326575 0.1746138 -1.4972160 12 S -1.9255795 0.0720430 0.8472497 -0.1958975 -0.7591792 -0.0251200 1.1326575 -0.1746138 -1.4972160 13 Nb 2.5187771 -0.6466001 -0.3852844 -0.1174525 2.4605100 0.6423991 -0.3925748 0.4622730 3.2429163 14 Nb 2.5187771 0.6466001 -0.3852844 0.1174525 2.4605100 -0.6423991 -0.3925748 -0.4622730 3.2429163 15 Ag 1.0982526 -0.0052413 -0.3021972 -0.0430602 0.9192444 -0.2704116 -0.4122495 -0.0375003 0.8724583 16 Ag 1.0982526 0.0052413 -0.3021972 0.0430602 0.9192444 0.2704116 -0.4122495 0.0375003 0.8724583 17 Ag 0.9513616 -0.0485160 -0.1940808 0.2633343 1.2945152 0.4012884 0.1435695 0.3258808 1.0733483 18 Ag 0.9513616 0.0485160 -0.1940808 -0.2633343 1.2945152 -0.4012884 0.1435695 -0.3258808 1.0733483 19 Ag 0.8144736 0.0522790 0.2660085 -0.3412638 0.9828109 0.0197353 0.0170333 0.1655481 0.9183330 20 Ag 0.8144736 -0.0522790 0.2660085 0.3412638 0.9828109 -0.0197353 0.0170333 -0.1655481 0.9183330 21 Ag 0.9602944 0.0481763 0.1798622 -0.0785678 0.8078406 0.1031344 0.0956024 -0.0344610 1.1353920 22 Ag 0.9602944 -0.0481763 0.1798622 0.0785678 0.8078406 -0.1031344 0.0956024 0.0344610 1.1353920 23 Ag 0.5684762 0.1097449 -0.0241527 0.2251816 1.0607963 0.1186483 -0.0031591 0.4133644 1.0334012 24 Ag 0.5684762 -0.1097449 -0.0241527 -0.2251816 1.0607963 -0.1186483 -0.0031591 -0.4133644 1.0334012 25 Ag 0.8133340 -0.1332104 0.0462168 -0.1395686 0.7902261 0.0419315 0.0427635 -0.0175761 0.7956403 26 Ag 0.8133340 0.1332104 0.0462168 0.1395686 0.7902261 -0.0419315 0.0427635 0.0175761 0.7956403 27 Ag 1.2047686 -0.1393235 0.3438859 -0.0938687 0.8699059 0.0176329 0.1860496 0.1190168 0.9430220 28 Ag 1.2047686 0.1393235 0.3438859 0.0938687 0.8699059 -0.0176329 0.1860496 -0.1190168 0.9430220 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1680 - Time: 3.735 Solver_block: 200 / 1680 - Time: 3.705 Solver_block: 300 / 1680 - Time: 2.811 Solver_block: 400 / 1680 - Time: 3.627 Solver_block: 500 / 1680 - Time: 3.949 Solver_block: 600 / 1680 - Time: 2.815 Solver_block: 700 / 1680 - Time: 4.062 Solver_block: 800 / 1680 - Time: 4.423 Solver_block: 900 / 1680 - Time: 3.251 Solver_block: 1000 / 1680 - Time: 2.239 Solver_block: 1100 / 1680 - Time: 4.236 Solver_block: 1200 / 1680 - Time: 2.419 Solver_block: 1300 / 1680 - Time: 3.644 Solver_block: 1400 / 1680 - Time: 3.493 Solver_block: 1500 / 1680 - Time: 3.091 Solver_block: 1600 / 1680 - Time: 3.619 Solver_block: 1680 / 1680 - Time: 3.254 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 60.391 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:55:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:55:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.386486270819063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.134958999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): 1 S 0.49708824707400 0.69762754089706 0.98456046902195 32.065 2 S 0.49708824707400 0.30237245910294 0.48456046902194 32.065 3 S 0.16902305764220 0.77646761784972 0.21489067595991 32.065 4 S 0.16902305764220 0.22353238215028 0.71489067595991 32.065 5 S 0.89496857500563 0.00062825047827 0.36713103651482 32.065 6 S 0.89496857500563 0.99937174952173 0.86713103651483 32.065 7 S 0.87981813569111 0.45947345522487 0.38807639294680 32.065 8 S 0.87981813569111 0.54052654477513 0.88807639294680 32.065 9 S 0.38474480021527 0.74090608768653 0.64021613165765 32.065 10 S 0.38474480021527 0.25909391231347 0.14021613165765 32.065 11 S 0.83826610236661 0.73087171000668 0.60764756067580 32.065 12 S 0.83826610236661 0.26912828999332 0.10764756067580 32.065 13 Nb 0.00177700978337 0.73782153997350 0.49917753853472 92.906 14 Nb 0.00177700978337 0.26217846002650 0.99917753853472 92.906 15 Ag 0.28781277761146 0.38149843556573 0.59008408683374 107.868 16 Ag 0.28781277761146 0.61850156443427 0.09008408683374 107.868 17 Ag 0.17249568320823 0.46555842989957 0.84706836313550 107.868 18 Ag 0.17249568320823 0.53444157010043 0.34706836313550 107.868 19 Ag 0.52367337810500 0.09764498586253 0.79513247511709 107.868 20 Ag 0.52367337810500 0.90235501413747 0.29513247511709 107.868 21 Ag 0.75474160487635 0.29450815968577 0.71816768702819 107.868 22 Ag 0.75474160487635 0.70549184031423 0.21816768702819 107.868 23 Ag 0.22015946851873 0.16442882300372 0.27026279740074 107.868 24 Ag 0.22015946851873 0.83557117699628 0.77026279740074 107.868 25 Ag 0.34919750480845 0.98822649687870 0.01352567844339 107.868 26 Ag 0.34919750480845 0.01177350312130 0.51352567844339 107.868 27 Ag 0.79323364509359 0.06948584898591 0.53605911672968 107.868 28 Ag 0.79323364509359 0.93051415101409 0.03605911672968 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.772972541638126 0.000000000000000 0.000000000000000 b 0.000000000000000 14.269917999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): 1 S 0.24854412353700 0.34881377044853 0.98456046902195 32.065 > 1 2 S 0.74854412353700 0.34881377044853 0.98456046902195 32.065 > 1 3 S 0.24854412353700 0.84881377044853 0.98456046902195 32.065 > 1 4 S 0.74854412353700 0.84881377044853 0.98456046902195 32.065 > 1 5 S 0.24854412353700 0.15118622955147 0.48456046902194 32.065 > 5 6 S 0.74854412353700 0.15118622955147 0.48456046902194 32.065 > 5 7 S 0.24854412353700 0.65118622955147 0.48456046902194 32.065 > 5 8 S 0.74854412353700 0.65118622955147 0.48456046902194 32.065 > 5 9 S 0.08451152882110 0.38823380892486 0.21489067595991 32.065 > 9 10 S 0.58451152882110 0.38823380892486 0.21489067595991 32.065 > 9 11 S 0.08451152882110 0.88823380892486 0.21489067595991 32.065 > 9 12 S 0.58451152882110 0.88823380892486 0.21489067595991 32.065 > 9 13 S 0.08451152882110 0.11176619107514 0.71489067595991 32.065 > 13 14 S 0.58451152882110 0.11176619107514 0.71489067595991 32.065 > 13 15 S 0.08451152882110 0.61176619107514 0.71489067595991 32.065 > 13 16 S 0.58451152882110 0.61176619107514 0.71489067595991 32.065 > 13 17 S 0.44748428750282 0.00031412523914 0.36713103651482 32.065 > 17 18 S 0.94748428750282 0.00031412523914 0.36713103651482 32.065 > 17 19 S 0.44748428750282 0.50031412523914 0.36713103651482 32.065 > 17 20 S 0.94748428750282 0.50031412523914 0.36713103651482 32.065 > 17 21 S 0.44748428750282 0.49968587476086 0.86713103651483 32.065 > 21 22 S 0.94748428750282 0.49968587476086 0.86713103651483 32.065 > 21 23 S 0.44748428750282 0.99968587476086 0.86713103651483 32.065 > 21 24 S 0.94748428750282 0.99968587476086 0.86713103651483 32.065 > 21 25 S 0.43990906784556 0.22973672761243 0.38807639294680 32.065 > 25 26 S 0.93990906784556 0.22973672761243 0.38807639294680 32.065 > 25 27 S 0.43990906784556 0.72973672761243 0.38807639294680 32.065 > 25 28 S 0.93990906784556 0.72973672761243 0.38807639294680 32.065 > 25 29 S 0.43990906784556 0.27026327238757 0.88807639294680 32.065 > 29 30 S 0.93990906784556 0.27026327238757 0.88807639294680 32.065 > 29 31 S 0.43990906784556 0.77026327238757 0.88807639294680 32.065 > 29 32 S 0.93990906784556 0.77026327238757 0.88807639294680 32.065 > 29 33 S 0.19237240010764 0.37045304384326 0.64021613165765 32.065 > 33 34 S 0.69237240010764 0.37045304384326 0.64021613165765 32.065 > 33 35 S 0.19237240010764 0.87045304384326 0.64021613165765 32.065 > 33 36 S 0.69237240010764 0.87045304384326 0.64021613165765 32.065 > 33 37 S 0.19237240010764 0.12954695615674 0.14021613165765 32.065 > 37 38 S 0.69237240010764 0.12954695615674 0.14021613165765 32.065 > 37 39 S 0.19237240010764 0.62954695615674 0.14021613165765 32.065 > 37 40 S 0.69237240010764 0.62954695615674 0.14021613165765 32.065 > 37 41 S 0.41913305118331 0.36543585500334 0.60764756067580 32.065 > 41 42 S 0.91913305118331 0.36543585500334 0.60764756067580 32.065 > 41 43 S 0.41913305118331 0.86543585500334 0.60764756067580 32.065 > 41 44 S 0.91913305118331 0.86543585500334 0.60764756067580 32.065 > 41 45 S 0.41913305118331 0.13456414499666 0.10764756067580 32.065 > 45 46 S 0.91913305118331 0.13456414499666 0.10764756067580 32.065 > 45 47 S 0.41913305118331 0.63456414499666 0.10764756067580 32.065 > 45 48 S 0.91913305118331 0.63456414499666 0.10764756067580 32.065 > 45 49 Nb 0.00088850489169 0.36891076998675 0.49917753853472 92.906 > 49 50 Nb 0.50088850489169 0.36891076998675 0.49917753853472 92.906 > 49 51 Nb 0.00088850489169 0.86891076998675 0.49917753853472 92.906 > 49 52 Nb 0.50088850489169 0.86891076998675 0.49917753853472 92.906 > 49 53 Nb 0.00088850489169 0.13108923001325 0.99917753853472 92.906 > 53 54 Nb 0.50088850489169 0.13108923001325 0.99917753853472 92.906 > 53 55 Nb 0.00088850489169 0.63108923001325 0.99917753853472 92.906 > 53 56 Nb 0.50088850489169 0.63108923001325 0.99917753853472 92.906 > 53 57 Ag 0.14390638880573 0.19074921778286 0.59008408683374 107.868 > 57 58 Ag 0.64390638880573 0.19074921778286 0.59008408683374 107.868 > 57 59 Ag 0.14390638880573 0.69074921778287 0.59008408683374 107.868 > 57 60 Ag 0.64390638880573 0.69074921778287 0.59008408683374 107.868 > 57 61 Ag 0.14390638880573 0.30925078221713 0.09008408683374 107.868 > 61 62 Ag 0.64390638880573 0.30925078221713 0.09008408683374 107.868 > 61 63 Ag 0.14390638880573 0.80925078221713 0.09008408683374 107.868 > 61 64 Ag 0.64390638880573 0.80925078221713 0.09008408683374 107.868 > 61 65 Ag 0.08624784160411 0.23277921494979 0.84706836313550 107.868 > 65 66 Ag 0.58624784160411 0.23277921494979 0.84706836313550 107.868 > 65 67 Ag 0.08624784160411 0.73277921494979 0.84706836313550 107.868 > 65 68 Ag 0.58624784160411 0.73277921494979 0.84706836313550 107.868 > 65 69 Ag 0.08624784160411 0.26722078505021 0.34706836313550 107.868 > 69 70 Ag 0.58624784160411 0.26722078505021 0.34706836313550 107.868 > 69 71 Ag 0.08624784160411 0.76722078505021 0.34706836313550 107.868 > 69 72 Ag 0.58624784160411 0.76722078505021 0.34706836313550 107.868 > 69 73 Ag 0.26183668905250 0.04882249293126 0.79513247511709 107.868 > 73 74 Ag 0.76183668905250 0.04882249293126 0.79513247511709 107.868 > 73 75 Ag 0.26183668905250 0.54882249293126 0.79513247511709 107.868 > 73 76 Ag 0.76183668905250 0.54882249293126 0.79513247511709 107.868 > 73 77 Ag 0.26183668905250 0.45117750706873 0.29513247511709 107.868 > 77 78 Ag 0.76183668905250 0.45117750706873 0.29513247511709 107.868 > 77 79 Ag 0.26183668905250 0.95117750706873 0.29513247511709 107.868 > 77 80 Ag 0.76183668905250 0.95117750706873 0.29513247511709 107.868 > 77 81 Ag 0.37737080243818 0.14725407984288 0.71816768702819 107.868 > 81 82 Ag 0.87737080243818 0.14725407984288 0.71816768702819 107.868 > 81 83 Ag 0.37737080243818 0.64725407984288 0.71816768702819 107.868 > 81 84 Ag 0.87737080243818 0.64725407984288 0.71816768702819 107.868 > 81 85 Ag 0.37737080243818 0.35274592015712 0.21816768702819 107.868 > 85 86 Ag 0.87737080243818 0.35274592015712 0.21816768702819 107.868 > 85 87 Ag 0.37737080243818 0.85274592015712 0.21816768702819 107.868 > 85 88 Ag 0.87737080243818 0.85274592015712 0.21816768702819 107.868 > 85 89 Ag 0.11007973425936 0.08221441150186 0.27026279740074 107.868 > 89 90 Ag 0.61007973425936 0.08221441150186 0.27026279740074 107.868 > 89 91 Ag 0.11007973425936 0.58221441150186 0.27026279740074 107.868 > 89 92 Ag 0.61007973425936 0.58221441150186 0.27026279740074 107.868 > 89 93 Ag 0.11007973425936 0.41778558849814 0.77026279740074 107.868 > 93 94 Ag 0.61007973425936 0.41778558849814 0.77026279740074 107.868 > 93 95 Ag 0.11007973425936 0.91778558849814 0.77026279740074 107.868 > 93 96 Ag 0.61007973425936 0.91778558849814 0.77026279740074 107.868 > 93 97 Ag 0.17459875240423 0.49411324843935 0.01352567844339 107.868 > 97 98 Ag 0.67459875240423 0.49411324843935 0.01352567844339 107.868 > 97 99 Ag 0.17459875240423 0.99411324843935 0.01352567844339 107.868 > 97 100 Ag 0.67459875240423 0.99411324843935 0.01352567844339 107.868 > 97 101 Ag 0.17459875240423 0.00588675156065 0.51352567844339 107.868 > 101 102 Ag 0.67459875240423 0.00588675156065 0.51352567844339 107.868 > 101 103 Ag 0.17459875240423 0.50588675156065 0.51352567844339 107.868 > 101 104 Ag 0.67459875240423 0.50588675156065 0.51352567844339 107.868 > 101 105 Ag 0.39661682254679 0.03474292449295 0.53605911672968 107.868 > 105 106 Ag 0.89661682254679 0.03474292449295 0.53605911672968 107.868 > 105 107 Ag 0.39661682254679 0.53474292449295 0.53605911672968 107.868 > 105 108 Ag 0.89661682254679 0.53474292449295 0.53605911672968 107.868 > 105 109 Ag 0.39661682254679 0.46525707550705 0.03605911672968 107.868 > 109 110 Ag 0.89661682254679 0.46525707550705 0.03605911672968 107.868 > 109 111 Ag 0.39661682254679 0.96525707550705 0.03605911672968 107.868 > 109 112 Ag 0.89661682254679 0.96525707550705 0.03605911672968 107.868 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0867909 0.0000000 0.1398184 0.0000000 10.4475893 0.0000000 0.1399657 0.0000000 10.5746648 -------------------------- Born effective charges -------------------------- 1 S -1.7038350 -0.3704893 -0.1499845 -0.4916200 -1.5777156 0.0560880 -0.0498484 0.0820146 -1.9913013 2 S -1.7038350 0.3704893 -0.1499845 0.4916200 -1.5777156 -0.0560880 -0.0498484 -0.0820146 -1.9913013 3 S -2.0817622 -0.0570168 -0.0931121 -0.1330570 -2.1611296 -0.0741556 0.0822302 0.0845745 -1.8355773 4 S -2.0817622 0.0570168 -0.0931121 0.1330570 -2.1611296 0.0741556 0.0822302 -0.0845745 -1.8355773 5 S -0.8721937 0.1802443 -0.1557940 -0.0349563 -1.4485277 0.5075898 0.1590663 0.6090562 -1.5338443 6 S -0.8721937 -0.1802443 -0.1557940 0.0349563 -1.4485277 -0.5075898 0.1590663 -0.6090562 -1.5338443 7 S -0.7334053 0.4803624 0.2328259 0.2575903 -2.1813903 -0.4308081 -0.2104989 -0.7849371 -1.5360254 8 S -0.7334053 -0.4803624 0.2328259 -0.2575903 -2.1813903 0.4308081 -0.2104989 0.7849371 -1.5360254 9 S -1.6129623 0.0065085 -0.6114433 -0.1378176 -1.0579069 -0.4697077 -0.7906416 -0.3468158 -1.6205469 10 S -1.6129623 -0.0065085 -0.6114433 0.1378176 -1.0579069 0.4697077 -0.7906416 0.3468158 -1.6205469 11 S -1.9255795 -0.0720430 0.8472497 0.1958975 -0.7591792 0.0251200 1.1326575 0.1746138 -1.4972160 12 S -1.9255795 0.0720430 0.8472497 -0.1958975 -0.7591792 -0.0251200 1.1326575 -0.1746138 -1.4972160 13 Nb 2.5187771 -0.6466001 -0.3852844 -0.1174525 2.4605100 0.6423991 -0.3925748 0.4622730 3.2429163 14 Nb 2.5187771 0.6466001 -0.3852844 0.1174525 2.4605100 -0.6423991 -0.3925748 -0.4622730 3.2429163 15 Ag 1.0982526 -0.0052413 -0.3021972 -0.0430602 0.9192444 -0.2704116 -0.4122495 -0.0375003 0.8724583 16 Ag 1.0982526 0.0052413 -0.3021972 0.0430602 0.9192444 0.2704116 -0.4122495 0.0375003 0.8724583 17 Ag 0.9513616 -0.0485160 -0.1940808 0.2633343 1.2945152 0.4012884 0.1435695 0.3258808 1.0733483 18 Ag 0.9513616 0.0485160 -0.1940808 -0.2633343 1.2945152 -0.4012884 0.1435695 -0.3258808 1.0733483 19 Ag 0.8144736 0.0522790 0.2660085 -0.3412638 0.9828109 0.0197353 0.0170333 0.1655481 0.9183330 20 Ag 0.8144736 -0.0522790 0.2660085 0.3412638 0.9828109 -0.0197353 0.0170333 -0.1655481 0.9183330 21 Ag 0.9602944 0.0481763 0.1798622 -0.0785678 0.8078406 0.1031344 0.0956024 -0.0344610 1.1353920 22 Ag 0.9602944 -0.0481763 0.1798622 0.0785678 0.8078406 -0.1031344 0.0956024 0.0344610 1.1353920 23 Ag 0.5684762 0.1097449 -0.0241527 0.2251816 1.0607963 0.1186483 -0.0031591 0.4133644 1.0334012 24 Ag 0.5684762 -0.1097449 -0.0241527 -0.2251816 1.0607963 -0.1186483 -0.0031591 -0.4133644 1.0334012 25 Ag 0.8133340 -0.1332104 0.0462168 -0.1395686 0.7902261 0.0419315 0.0427635 -0.0175761 0.7956403 26 Ag 0.8133340 0.1332104 0.0462168 0.1395686 0.7902261 -0.0419315 0.0427635 0.0175761 0.7956403 27 Ag 1.2047686 -0.1393235 0.3438859 -0.0938687 0.8699059 0.0176329 0.1860496 0.1190168 0.9430220 28 Ag 1.2047686 0.1393235 0.3438859 0.0938687 0.8699059 -0.0176329 0.1860496 -0.1190168 0.9430220 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 9, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 41, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 49, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 73, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 89, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 105, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.386486270819063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.134958999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): 1 S 0.49708824707400 0.69762754089706 0.98456046902195 32.065 2 S 0.49708824707400 0.30237245910294 0.48456046902194 32.065 3 S 0.16902305764220 0.77646761784972 0.21489067595991 32.065 4 S 0.16902305764220 0.22353238215028 0.71489067595991 32.065 5 S 0.89496857500563 0.00062825047827 0.36713103651482 32.065 6 S 0.89496857500563 0.99937174952173 0.86713103651483 32.065 7 S 0.87981813569111 0.45947345522487 0.38807639294680 32.065 8 S 0.87981813569111 0.54052654477513 0.88807639294680 32.065 9 S 0.38474480021527 0.74090608768653 0.64021613165765 32.065 10 S 0.38474480021527 0.25909391231347 0.14021613165765 32.065 11 S 0.83826610236661 0.73087171000668 0.60764756067580 32.065 12 S 0.83826610236661 0.26912828999332 0.10764756067580 32.065 13 Nb 0.00177700978337 0.73782153997350 0.49917753853472 92.906 14 Nb 0.00177700978337 0.26217846002650 0.99917753853472 92.906 15 Ag 0.28781277761146 0.38149843556573 0.59008408683374 107.868 16 Ag 0.28781277761146 0.61850156443427 0.09008408683374 107.868 17 Ag 0.17249568320823 0.46555842989957 0.84706836313550 107.868 18 Ag 0.17249568320823 0.53444157010043 0.34706836313550 107.868 19 Ag 0.52367337810500 0.09764498586253 0.79513247511709 107.868 20 Ag 0.52367337810500 0.90235501413747 0.29513247511709 107.868 21 Ag 0.75474160487635 0.29450815968577 0.71816768702819 107.868 22 Ag 0.75474160487635 0.70549184031423 0.21816768702819 107.868 23 Ag 0.22015946851873 0.16442882300372 0.27026279740074 107.868 24 Ag 0.22015946851873 0.83557117699628 0.77026279740074 107.868 25 Ag 0.34919750480845 0.98822649687870 0.01352567844339 107.868 26 Ag 0.34919750480845 0.01177350312130 0.51352567844339 107.868 27 Ag 0.79323364509359 0.06948584898591 0.53605911672968 107.868 28 Ag 0.79323364509359 0.93051415101409 0.03605911672968 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.772972541638126 0.000000000000000 0.000000000000000 b 0.000000000000000 14.269917999999999 0.000000000000000 c -7.259679596064295 0.000000000000000 10.628800582765930 Atomic positions (fractional): 1 S 0.24854412353700 0.34881377044853 0.98456046902195 32.065 > 1 2 S 0.74854412353700 0.34881377044853 0.98456046902195 32.065 > 1 3 S 0.24854412353700 0.84881377044853 0.98456046902195 32.065 > 1 4 S 0.74854412353700 0.84881377044853 0.98456046902195 32.065 > 1 5 S 0.24854412353700 0.15118622955147 0.48456046902194 32.065 > 5 6 S 0.74854412353700 0.15118622955147 0.48456046902194 32.065 > 5 7 S 0.24854412353700 0.65118622955147 0.48456046902194 32.065 > 5 8 S 0.74854412353700 0.65118622955147 0.48456046902194 32.065 > 5 9 S 0.08451152882110 0.38823380892486 0.21489067595991 32.065 > 9 10 S 0.58451152882110 0.38823380892486 0.21489067595991 32.065 > 9 11 S 0.08451152882110 0.88823380892486 0.21489067595991 32.065 > 9 12 S 0.58451152882110 0.88823380892486 0.21489067595991 32.065 > 9 13 S 0.08451152882110 0.11176619107514 0.71489067595991 32.065 > 13 14 S 0.58451152882110 0.11176619107514 0.71489067595991 32.065 > 13 15 S 0.08451152882110 0.61176619107514 0.71489067595991 32.065 > 13 16 S 0.58451152882110 0.61176619107514 0.71489067595991 32.065 > 13 17 S 0.44748428750282 0.00031412523914 0.36713103651482 32.065 > 17 18 S 0.94748428750282 0.00031412523914 0.36713103651482 32.065 > 17 19 S 0.44748428750282 0.50031412523914 0.36713103651482 32.065 > 17 20 S 0.94748428750282 0.50031412523914 0.36713103651482 32.065 > 17 21 S 0.44748428750282 0.49968587476086 0.86713103651483 32.065 > 21 22 S 0.94748428750282 0.49968587476086 0.86713103651483 32.065 > 21 23 S 0.44748428750282 0.99968587476086 0.86713103651483 32.065 > 21 24 S 0.94748428750282 0.99968587476086 0.86713103651483 32.065 > 21 25 S 0.43990906784556 0.22973672761243 0.38807639294680 32.065 > 25 26 S 0.93990906784556 0.22973672761243 0.38807639294680 32.065 > 25 27 S 0.43990906784556 0.72973672761243 0.38807639294680 32.065 > 25 28 S 0.93990906784556 0.72973672761243 0.38807639294680 32.065 > 25 29 S 0.43990906784556 0.27026327238757 0.88807639294680 32.065 > 29 30 S 0.93990906784556 0.27026327238757 0.88807639294680 32.065 > 29 31 S 0.43990906784556 0.77026327238757 0.88807639294680 32.065 > 29 32 S 0.93990906784556 0.77026327238757 0.88807639294680 32.065 > 29 33 S 0.19237240010764 0.37045304384326 0.64021613165765 32.065 > 33 34 S 0.69237240010764 0.37045304384326 0.64021613165765 32.065 > 33 35 S 0.19237240010764 0.87045304384326 0.64021613165765 32.065 > 33 36 S 0.69237240010764 0.87045304384326 0.64021613165765 32.065 > 33 37 S 0.19237240010764 0.12954695615674 0.14021613165765 32.065 > 37 38 S 0.69237240010764 0.12954695615674 0.14021613165765 32.065 > 37 39 S 0.19237240010764 0.62954695615674 0.14021613165765 32.065 > 37 40 S 0.69237240010764 0.62954695615674 0.14021613165765 32.065 > 37 41 S 0.41913305118331 0.36543585500334 0.60764756067580 32.065 > 41 42 S 0.91913305118331 0.36543585500334 0.60764756067580 32.065 > 41 43 S 0.41913305118331 0.86543585500334 0.60764756067580 32.065 > 41 44 S 0.91913305118331 0.86543585500334 0.60764756067580 32.065 > 41 45 S 0.41913305118331 0.13456414499666 0.10764756067580 32.065 > 45 46 S 0.91913305118331 0.13456414499666 0.10764756067580 32.065 > 45 47 S 0.41913305118331 0.63456414499666 0.10764756067580 32.065 > 45 48 S 0.91913305118331 0.63456414499666 0.10764756067580 32.065 > 45 49 Nb 0.00088850489169 0.36891076998675 0.49917753853472 92.906 > 49 50 Nb 0.50088850489169 0.36891076998675 0.49917753853472 92.906 > 49 51 Nb 0.00088850489169 0.86891076998675 0.49917753853472 92.906 > 49 52 Nb 0.50088850489169 0.86891076998675 0.49917753853472 92.906 > 49 53 Nb 0.00088850489169 0.13108923001325 0.99917753853472 92.906 > 53 54 Nb 0.50088850489169 0.13108923001325 0.99917753853472 92.906 > 53 55 Nb 0.00088850489169 0.63108923001325 0.99917753853472 92.906 > 53 56 Nb 0.50088850489169 0.63108923001325 0.99917753853472 92.906 > 53 57 Ag 0.14390638880573 0.19074921778286 0.59008408683374 107.868 > 57 58 Ag 0.64390638880573 0.19074921778286 0.59008408683374 107.868 > 57 59 Ag 0.14390638880573 0.69074921778287 0.59008408683374 107.868 > 57 60 Ag 0.64390638880573 0.69074921778287 0.59008408683374 107.868 > 57 61 Ag 0.14390638880573 0.30925078221713 0.09008408683374 107.868 > 61 62 Ag 0.64390638880573 0.30925078221713 0.09008408683374 107.868 > 61 63 Ag 0.14390638880573 0.80925078221713 0.09008408683374 107.868 > 61 64 Ag 0.64390638880573 0.80925078221713 0.09008408683374 107.868 > 61 65 Ag 0.08624784160411 0.23277921494979 0.84706836313550 107.868 > 65 66 Ag 0.58624784160411 0.23277921494979 0.84706836313550 107.868 > 65 67 Ag 0.08624784160411 0.73277921494979 0.84706836313550 107.868 > 65 68 Ag 0.58624784160411 0.73277921494979 0.84706836313550 107.868 > 65 69 Ag 0.08624784160411 0.26722078505021 0.34706836313550 107.868 > 69 70 Ag 0.58624784160411 0.26722078505021 0.34706836313550 107.868 > 69 71 Ag 0.08624784160411 0.76722078505021 0.34706836313550 107.868 > 69 72 Ag 0.58624784160411 0.76722078505021 0.34706836313550 107.868 > 69 73 Ag 0.26183668905250 0.04882249293126 0.79513247511709 107.868 > 73 74 Ag 0.76183668905250 0.04882249293126 0.79513247511709 107.868 > 73 75 Ag 0.26183668905250 0.54882249293126 0.79513247511709 107.868 > 73 76 Ag 0.76183668905250 0.54882249293126 0.79513247511709 107.868 > 73 77 Ag 0.26183668905250 0.45117750706873 0.29513247511709 107.868 > 77 78 Ag 0.76183668905250 0.45117750706873 0.29513247511709 107.868 > 77 79 Ag 0.26183668905250 0.95117750706873 0.29513247511709 107.868 > 77 80 Ag 0.76183668905250 0.95117750706873 0.29513247511709 107.868 > 77 81 Ag 0.37737080243818 0.14725407984288 0.71816768702819 107.868 > 81 82 Ag 0.87737080243818 0.14725407984288 0.71816768702819 107.868 > 81 83 Ag 0.37737080243818 0.64725407984288 0.71816768702819 107.868 > 81 84 Ag 0.87737080243818 0.64725407984288 0.71816768702819 107.868 > 81 85 Ag 0.37737080243818 0.35274592015712 0.21816768702819 107.868 > 85 86 Ag 0.87737080243818 0.35274592015712 0.21816768702819 107.868 > 85 87 Ag 0.37737080243818 0.85274592015712 0.21816768702819 107.868 > 85 88 Ag 0.87737080243818 0.85274592015712 0.21816768702819 107.868 > 85 89 Ag 0.11007973425936 0.08221441150186 0.27026279740074 107.868 > 89 90 Ag 0.61007973425936 0.08221441150186 0.27026279740074 107.868 > 89 91 Ag 0.11007973425936 0.58221441150186 0.27026279740074 107.868 > 89 92 Ag 0.61007973425936 0.58221441150186 0.27026279740074 107.868 > 89 93 Ag 0.11007973425936 0.41778558849814 0.77026279740074 107.868 > 93 94 Ag 0.61007973425936 0.41778558849814 0.77026279740074 107.868 > 93 95 Ag 0.11007973425936 0.91778558849814 0.77026279740074 107.868 > 93 96 Ag 0.61007973425936 0.91778558849814 0.77026279740074 107.868 > 93 97 Ag 0.17459875240423 0.49411324843935 0.01352567844339 107.868 > 97 98 Ag 0.67459875240423 0.49411324843935 0.01352567844339 107.868 > 97 99 Ag 0.17459875240423 0.99411324843935 0.01352567844339 107.868 > 97 100 Ag 0.67459875240423 0.99411324843935 0.01352567844339 107.868 > 97 101 Ag 0.17459875240423 0.00588675156065 0.51352567844339 107.868 > 101 102 Ag 0.67459875240423 0.00588675156065 0.51352567844339 107.868 > 101 103 Ag 0.17459875240423 0.50588675156065 0.51352567844339 107.868 > 101 104 Ag 0.67459875240423 0.50588675156065 0.51352567844339 107.868 > 101 105 Ag 0.39661682254679 0.03474292449295 0.53605911672968 107.868 > 105 106 Ag 0.89661682254679 0.03474292449295 0.53605911672968 107.868 > 105 107 Ag 0.39661682254679 0.53474292449295 0.53605911672968 107.868 > 105 108 Ag 0.89661682254679 0.53474292449295 0.53605911672968 107.868 > 105 109 Ag 0.39661682254679 0.46525707550705 0.03605911672968 107.868 > 109 110 Ag 0.89661682254679 0.46525707550705 0.03605911672968 107.868 > 109 111 Ag 0.39661682254679 0.96525707550705 0.03605911672968 107.868 > 109 112 Ag 0.89661682254679 0.96525707550705 0.03605911672968 107.868 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0867909 0.0000000 0.1398184 0.0000000 10.4475893 0.0000000 0.1399657 0.0000000 10.5746648 -------------------------- Born effective charges -------------------------- 1 S -1.7038350 -0.3704893 -0.1499845 -0.4916200 -1.5777156 0.0560880 -0.0498484 0.0820146 -1.9913013 2 S -1.7038350 0.3704893 -0.1499845 0.4916200 -1.5777156 -0.0560880 -0.0498484 -0.0820146 -1.9913013 3 S -2.0817622 -0.0570168 -0.0931121 -0.1330570 -2.1611296 -0.0741556 0.0822302 0.0845745 -1.8355773 4 S -2.0817622 0.0570168 -0.0931121 0.1330570 -2.1611296 0.0741556 0.0822302 -0.0845745 -1.8355773 5 S -0.8721937 0.1802443 -0.1557940 -0.0349563 -1.4485277 0.5075898 0.1590663 0.6090562 -1.5338443 6 S -0.8721937 -0.1802443 -0.1557940 0.0349563 -1.4485277 -0.5075898 0.1590663 -0.6090562 -1.5338443 7 S -0.7334053 0.4803624 0.2328259 0.2575903 -2.1813903 -0.4308081 -0.2104989 -0.7849371 -1.5360254 8 S -0.7334053 -0.4803624 0.2328259 -0.2575903 -2.1813903 0.4308081 -0.2104989 0.7849371 -1.5360254 9 S -1.6129623 0.0065085 -0.6114433 -0.1378176 -1.0579069 -0.4697077 -0.7906416 -0.3468158 -1.6205469 10 S -1.6129623 -0.0065085 -0.6114433 0.1378176 -1.0579069 0.4697077 -0.7906416 0.3468158 -1.6205469 11 S -1.9255795 -0.0720430 0.8472497 0.1958975 -0.7591792 0.0251200 1.1326575 0.1746138 -1.4972160 12 S -1.9255795 0.0720430 0.8472497 -0.1958975 -0.7591792 -0.0251200 1.1326575 -0.1746138 -1.4972160 13 Nb 2.5187771 -0.6466001 -0.3852844 -0.1174525 2.4605100 0.6423991 -0.3925748 0.4622730 3.2429163 14 Nb 2.5187771 0.6466001 -0.3852844 0.1174525 2.4605100 -0.6423991 -0.3925748 -0.4622730 3.2429163 15 Ag 1.0982526 -0.0052413 -0.3021972 -0.0430602 0.9192444 -0.2704116 -0.4122495 -0.0375003 0.8724583 16 Ag 1.0982526 0.0052413 -0.3021972 0.0430602 0.9192444 0.2704116 -0.4122495 0.0375003 0.8724583 17 Ag 0.9513616 -0.0485160 -0.1940808 0.2633343 1.2945152 0.4012884 0.1435695 0.3258808 1.0733483 18 Ag 0.9513616 0.0485160 -0.1940808 -0.2633343 1.2945152 -0.4012884 0.1435695 -0.3258808 1.0733483 19 Ag 0.8144736 0.0522790 0.2660085 -0.3412638 0.9828109 0.0197353 0.0170333 0.1655481 0.9183330 20 Ag 0.8144736 -0.0522790 0.2660085 0.3412638 0.9828109 -0.0197353 0.0170333 -0.1655481 0.9183330 21 Ag 0.9602944 0.0481763 0.1798622 -0.0785678 0.8078406 0.1031344 0.0956024 -0.0344610 1.1353920 22 Ag 0.9602944 -0.0481763 0.1798622 0.0785678 0.8078406 -0.1031344 0.0956024 0.0344610 1.1353920 23 Ag 0.5684762 0.1097449 -0.0241527 0.2251816 1.0607963 0.1186483 -0.0031591 0.4133644 1.0334012 24 Ag 0.5684762 -0.1097449 -0.0241527 -0.2251816 1.0607963 -0.1186483 -0.0031591 -0.4133644 1.0334012 25 Ag 0.8133340 -0.1332104 0.0462168 -0.1395686 0.7902261 0.0419315 0.0427635 -0.0175761 0.7956403 26 Ag 0.8133340 0.1332104 0.0462168 0.1395686 0.7902261 -0.0419315 0.0427635 0.0175761 0.7956403 27 Ag 1.2047686 -0.1393235 0.3438859 -0.0938687 0.8699059 0.0176329 0.1860496 0.1190168 0.9430220 28 Ag 1.2047686 0.1393235 0.3438859 0.0938687 0.8699059 -0.0176329 0.1860496 -0.1190168 0.9430220 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] 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: 0.50, Number of G-points: 307, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 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 0.561 ( 0.000 0.000 0.000) 0.000 0.582 ( 0.000 0.000 0.000) 0.000 0.735 ( 0.000 0.000 0.000) 0.000 0.778 ( 0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 0.805 ( 0.000 0.000 0.000) 0.000 0.922 ( 0.000 0.000 0.000) 0.000 0.946 ( 0.000 0.000 0.000) 0.000 1.002 ( 0.000 0.000 0.000) 0.000 1.033 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.414 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.209 ( 0.000 0.000 0.000) 0.000 12.271 ( 0.000 0.000 0.000) 0.000 12.431 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 5.708 0.000 10.978) 12.374 0.267 ( 8.400 0.000 7.965) 11.576 0.563 ( -2.308 0.000 1.981) 3.042 0.582 ( 1.100 0.000 1.353) 1.744 0.601 ( 14.079 0.000 15.479) 20.924 0.742 ( 4.177 0.000 2.385) 4.810 0.770 ( -0.697 0.000 -0.393) 0.801 0.799 ( 0.511 0.000 -1.063) 1.180 0.867 ( 4.634 0.000 2.684) 5.355 0.916 ( 0.351 0.000 -2.472) 2.497 0.935 ( 2.125 0.000 -0.832) 2.283 1.047 ( 1.494 0.000 3.692) 3.983 1.061 ( 2.825 0.000 1.776) 3.337 1.224 ( 3.794 0.000 -0.370) 3.812 1.227 ( 1.198 0.000 -0.438) 1.276 1.396 ( -1.858 0.000 0.056) 1.859 1.482 ( -1.243 0.000 -3.086) 3.327 1.620 ( -1.316 0.000 0.599) 1.446 1.655 ( 0.286 0.000 4.487) 4.496 1.778 ( 0.555 0.000 0.717) 0.907 1.881 ( 0.462 0.000 2.436) 2.479 1.907 ( -2.181 0.000 0.754) 2.307 2.027 ( -2.962 0.000 2.831) 4.098 2.028 ( -0.838 0.000 -0.702) 1.093 2.177 ( 0.981 0.000 -0.377) 1.051 2.255 ( -0.660 0.000 -0.125) 0.672 2.260 ( 1.952 0.000 0.401) 1.992 2.396 ( -2.284 0.000 -2.536) 3.413 2.401 ( -4.072 0.000 -0.075) 4.072 2.519 ( -0.013 0.000 -2.459) 2.459 2.596 ( -0.015 0.000 -1.035) 1.035 2.643 ( 1.702 0.000 -1.288) 2.134 2.695 ( 3.503 0.000 -0.138) 3.505 2.784 ( -5.528 0.000 -0.353) 5.539 2.904 ( 0.448 0.000 1.256) 1.333 2.980 ( -0.967 0.000 0.025) 0.967 2.991 ( 0.322 0.000 -3.225) 3.241 3.117 ( 0.458 0.000 0.541) 0.709 3.282 ( 5.355 0.000 4.162) 6.782 3.450 ( -2.391 0.000 -6.926) 7.327 3.476 ( 2.960 0.000 -3.470) 4.561 3.594 ( 1.939 0.000 -4.959) 5.325 3.808 ( -2.131 0.000 0.590) 2.211 3.821 ( -1.611 0.000 2.481) 2.958 3.976 ( -1.224 0.000 -1.873) 2.238 4.011 ( 0.243 0.000 -1.560) 1.579 4.143 ( -0.788 0.000 4.712) 4.778 4.244 ( -0.234 0.000 2.130) 2.143 4.531 ( 0.732 0.000 0.224) 0.765 4.552 ( 1.328 0.000 1.191) 1.783 4.991 ( 0.189 0.000 0.005) 0.189 5.117 ( -0.901 0.000 0.241) 0.932 5.518 ( -0.200 0.000 2.589) 2.596 5.519 ( -2.029 0.000 0.041) 2.029 5.853 ( 0.826 0.000 -1.344) 1.577 5.880 ( 6.364 0.000 1.623) 6.568 6.039 ( 0.926 0.000 -4.120) 4.223 6.163 ( 1.170 0.000 0.315) 1.211 6.468 ( -0.022 0.000 -0.611) 0.611 6.586 ( -0.985 0.000 1.338) 1.662 6.789 ( -2.129 0.000 -2.151) 3.026 6.802 ( 0.250 0.000 -0.747) 0.788 6.881 ( -2.137 0.000 -0.538) 2.204 6.964 ( -0.808 0.000 0.186) 0.829 7.135 ( -0.126 0.000 1.337) 1.343 7.200 ( -1.982 0.000 1.781) 2.664 7.453 ( 0.065 0.000 0.244) 0.253 7.456 ( -1.278 0.000 -0.736) 1.475 7.727 ( 1.226 0.000 0.502) 1.325 7.750 ( 1.020 0.000 -0.122) 1.027 8.052 ( 0.043 0.000 2.889) 2.890 8.167 ( -3.267 0.000 -2.163) 3.918 8.302 ( 0.074 0.000 0.642) 0.646 8.365 ( -2.737 0.000 2.561) 3.748 9.605 ( 1.547 0.000 0.387) 1.595 9.644 ( 2.050 0.000 -2.526) 3.253 11.298 ( 0.183 0.000 0.311) 0.361 11.396 ( -0.946 0.000 -1.387) 1.679 11.753 ( -1.708 0.000 6.243) 6.472 11.782 ( -1.694 0.000 -2.059) 2.667 12.138 ( 0.945 0.000 -1.269) 1.582 12.213 ( 0.285 0.000 0.148) 0.321 12.303 ( 2.092 0.000 -1.766) 2.738 12.438 ( 0.355 0.000 0.888) 0.957 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -2.437 0.000 4.031) 4.710 0.423 ( 0.021 0.000 4.897) 4.897 0.568 ( 0.793 0.000 3.667) 3.752 0.604 ( 0.975 0.000 -0.118) 0.982 0.741 ( 2.905 0.000 -2.195) 3.641 0.779 ( 1.774 0.000 0.716) 1.913 0.821 ( 3.688 0.000 -0.375) 3.707 0.886 ( 1.824 0.000 7.813) 8.023 0.924 ( 2.998 0.000 -1.167) 3.217 0.965 ( 3.190 0.000 0.327) 3.207 1.035 ( 4.299 0.000 2.323) 4.887 1.122 ( 1.028 0.000 4.912) 5.018 1.159 ( 1.566 0.000 1.113) 1.921 1.293 ( 4.763 0.000 -0.719) 4.817 1.344 ( 5.427 0.000 1.481) 5.625 1.364 ( -2.062 0.000 0.609) 2.150 1.449 ( 6.303 0.000 3.067) 7.009 1.598 ( -1.875 0.000 0.550) 1.954 1.724 ( 2.068 0.000 3.442) 4.015 1.782 ( -1.238 0.000 -0.082) 1.241 1.869 ( -2.065 0.000 0.242) 2.079 1.939 ( 0.863 0.000 5.965) 6.027 2.010 ( -0.152 0.000 -1.135) 1.145 2.020 ( -2.478 0.000 4.430) 5.076 2.169 ( -3.189 0.000 0.038) 3.189 2.223 ( -2.444 0.000 -6.165) 6.632 2.226 ( -0.535 0.000 1.869) 1.944 2.367 ( -1.819 0.000 5.575) 5.864 2.398 ( 2.060 0.000 1.269) 2.419 2.526 ( -2.965 0.000 -1.736) 3.436 2.553 ( 1.730 0.000 -1.522) 2.304 2.656 ( 1.515 0.000 -1.222) 1.947 2.717 ( -0.417 0.000 0.542) 0.684 2.722 ( 0.968 0.000 -2.286) 2.482 2.890 ( 0.122 0.000 -3.134) 3.136 2.950 ( -2.385 0.000 -0.113) 2.387 3.013 ( 2.503 0.000 -0.266) 2.517 3.139 ( 0.575 0.000 1.009) 1.161 3.287 ( -3.648 0.000 -11.625) 12.184 3.366 ( 1.128 0.000 -1.712) 2.050 3.505 ( 5.206 0.000 -1.500) 5.417 3.580 ( 3.740 0.000 -5.082) 6.310 3.778 ( -2.622 0.000 1.281) 2.918 3.808 ( -1.622 0.000 0.187) 1.633 3.937 ( -1.169 0.000 -0.580) 1.305 3.987 ( -2.008 0.000 -0.657) 2.113 4.194 ( -0.048 0.000 5.152) 5.152 4.263 ( -0.598 0.000 2.054) 2.140 4.541 ( 0.408 0.000 -0.436) 0.598 4.594 ( 1.651 0.000 1.186) 2.033 5.003 ( 1.026 0.000 0.418) 1.108 5.101 ( -0.914 0.000 -0.248) 0.947 5.491 ( -1.383 0.000 0.287) 1.412 5.548 ( -0.155 0.000 2.589) 2.594 5.854 ( 0.499 0.000 -0.272) 0.568 6.006 ( 5.873 0.000 0.692) 5.914 6.008 ( 2.070 0.000 -4.815) 5.241 6.203 ( 2.347 0.000 1.217) 2.644 6.457 ( -0.565 0.000 -0.555) 0.792 6.580 ( -2.216 0.000 1.636) 2.754 6.706 ( -3.082 0.000 -2.836) 4.188 6.797 ( -0.307 0.000 -0.125) 0.331 6.839 ( -2.057 0.000 -0.467) 2.109 6.947 ( -1.824 0.000 0.944) 2.053 7.157 ( 0.192 0.000 2.324) 2.332 7.186 ( -1.327 0.000 0.781) 1.540 7.423 ( -1.589 0.000 -0.477) 1.659 7.457 ( 0.015 0.000 0.438) 0.438 7.757 ( 2.197 0.000 -0.547) 2.264 7.768 ( 1.205 0.000 -0.301) 1.242 8.065 ( -4.338 0.000 -3.452) 5.543 8.090 ( -0.094 0.000 3.382) 3.383 8.314 ( 0.125 0.000 1.098) 1.105 8.343 ( -1.743 0.000 0.401) 1.789 9.641 ( 1.893 0.000 0.440) 1.943 9.651 ( 1.325 0.000 -1.251) 1.822 11.308 ( 0.390 0.000 0.524) 0.654 11.362 ( -1.081 0.000 -1.027) 1.492 11.712 ( -2.655 0.000 -3.243) 4.191 11.801 ( 0.024 0.000 4.062) 4.062 12.140 ( 0.541 0.000 -0.616) 0.820 12.217 ( -0.035 0.000 -0.024) 0.043 12.322 ( 1.644 0.000 -0.589) 1.746 12.464 ( 0.847 0.000 1.624) 1.832 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -3.736 0.000 1.316) 3.961 0.419 ( -2.529 0.000 1.532) 2.956 0.608 ( -0.907 0.000 1.531) 1.780 0.623 ( 0.657 0.000 0.019) 0.657 0.753 ( 2.398 0.000 -1.619) 2.893 0.815 ( 2.191 0.000 -0.669) 2.291 0.886 ( 2.385 0.000 0.658) 2.474 0.977 ( 2.107 0.000 1.374) 2.515 0.995 ( 4.687 0.000 1.356) 4.879 1.039 ( 1.372 0.000 2.980) 3.281 1.117 ( 2.443 0.000 3.060) 3.916 1.173 ( -0.802 0.000 3.065) 3.168 1.188 ( 2.712 0.000 0.784) 2.823 1.287 ( -2.810 0.000 -3.851) 4.768 1.328 ( -0.627 0.000 -1.965) 2.062 1.369 ( 1.745 0.000 2.415) 2.980 1.591 ( 1.266 0.000 -0.121) 1.271 1.619 ( 2.935 0.000 -1.382) 3.245 1.732 ( -3.246 0.000 -0.601) 3.301 1.844 ( 5.744 0.000 4.689) 7.415 1.866 ( 0.600 0.000 0.947) 1.121 1.984 ( -1.300 0.000 -1.974) 2.364 1.996 ( -1.878 0.000 2.568) 3.182 2.060 ( -1.814 0.000 4.784) 5.116 2.126 ( -0.968 0.000 -3.714) 3.838 2.136 ( 0.345 0.000 5.014) 5.026 2.322 ( 4.884 0.000 7.346) 8.821 2.372 ( -4.454 0.000 1.073) 4.581 2.446 ( -3.271 0.000 3.797) 5.011 2.457 ( 2.311 0.000 1.267) 2.635 2.597 ( 2.944 0.000 -0.948) 3.093 2.646 ( 0.273 0.000 -4.192) 4.201 2.699 ( -0.366 0.000 -0.219) 0.427 2.759 ( 2.132 0.000 1.958) 2.895 2.859 ( 2.380 0.000 -5.084) 5.613 2.901 ( -2.668 0.000 -0.513) 2.717 3.037 ( 0.222 0.000 0.207) 0.303 3.074 ( -4.764 0.000 -11.836) 12.759 3.151 ( 0.243 0.000 -0.079) 0.256 3.317 ( -0.529 0.000 -4.712) 4.742 3.582 ( 2.721 0.000 0.629) 2.792 3.611 ( 4.657 0.000 -2.447) 5.261 3.756 ( -1.237 0.000 1.541) 1.976 3.781 ( -0.714 0.000 -0.953) 1.191 3.925 ( -0.395 0.000 0.261) 0.473 3.928 ( -3.926 0.000 -0.172) 3.930 4.250 ( 0.494 0.000 3.256) 3.293 4.271 ( -0.605 0.000 1.161) 1.309 4.534 ( -0.137 0.000 -0.946) 0.956 4.626 ( 0.863 0.000 0.430) 0.964 5.030 ( 1.197 0.000 0.626) 1.350 5.084 ( -0.609 0.000 -0.140) 0.625 5.477 ( -0.716 0.000 0.279) 0.768 5.564 ( -0.607 0.000 1.218) 1.361 5.863 ( 0.849 0.000 -0.467) 0.969 6.011 ( 2.651 0.000 -1.908) 3.266 6.088 ( 3.771 0.000 -0.274) 3.781 6.248 ( 0.702 0.000 1.268) 1.449 6.435 ( -1.065 0.000 -0.776) 1.317 6.527 ( -3.470 0.000 -1.156) 3.658 6.670 ( 0.312 0.000 0.192) 0.367 6.787 ( -0.676 0.000 -0.058) 0.679 6.803 ( -1.581 0.000 -0.245) 1.599 6.930 ( -1.356 0.000 0.921) 1.639 7.176 ( -0.520 0.000 0.320) 0.611 7.189 ( 0.257 0.000 2.084) 2.099 7.396 ( -0.938 0.000 -0.272) 0.977 7.466 ( 0.318 0.000 0.669) 0.741 7.776 ( 0.305 0.000 -0.695) 0.759 7.784 ( 1.486 0.000 -0.406) 1.540 7.964 ( -2.739 0.000 -2.664) 3.821 8.119 ( -0.374 0.000 2.185) 2.217 8.321 ( -0.919 0.000 -0.099) 0.924 8.329 ( 0.149 0.000 0.878) 0.891 9.658 ( 0.767 0.000 -0.648) 1.004 9.672 ( 1.149 0.000 0.270) 1.181 11.323 ( 0.498 0.000 0.536) 0.731 11.340 ( -0.549 0.000 -0.473) 0.725 11.633 ( -2.147 0.000 -2.641) 3.404 11.840 ( 0.171 0.000 2.162) 2.169 12.142 ( 0.296 0.000 -0.303) 0.424 12.213 ( -0.244 0.000 -0.110) 0.267 12.341 ( 0.981 0.000 -0.165) 0.995 12.496 ( 0.715 0.000 1.318) 1.499 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 0.000 0.000) 0.000 0.406 ( 0.000 0.000 0.000) 0.000 0.600 ( 0.000 0.000 0.000) 0.000 0.626 ( 0.000 0.000 0.000) 0.000 0.770 ( 0.000 0.000 0.000) 0.000 0.831 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.215 ( -0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 -0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.691 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.939 ( -0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.324 ( -0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 -0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 -0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.854 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.511 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 0.000 9.502 0.000) 9.502 0.269 ( 0.000 11.867 0.000) 11.867 0.517 ( 0.000 2.113 0.000) 2.113 0.593 ( 0.000 15.358 0.000) 15.358 0.632 ( 0.000 3.734 0.000) 3.734 0.709 ( 0.000 0.215 0.000) 0.215 0.812 ( 0.000 2.677 0.000) 2.677 0.841 ( 0.000 4.792 0.000) 4.792 0.858 ( 0.000 2.634 0.000) 2.634 0.893 ( 0.000 0.000 0.000) 0.000 0.971 ( 0.000 -0.441 0.000) 0.441 1.056 ( 0.000 2.073 0.000) 2.073 1.087 ( 0.000 6.925 0.000) 6.925 1.223 ( 0.000 2.130 0.000) 2.130 1.246 ( 0.000 2.295 0.000) 2.295 1.386 ( 0.000 -2.025 0.000) 2.025 1.532 ( 0.000 0.485 0.000) 0.485 1.558 ( 0.000 0.902 0.000) 0.902 1.629 ( 0.000 0.925 0.000) 0.925 1.766 ( 0.000 -1.620 0.000) 1.620 1.852 ( 0.000 -0.425 0.000) 0.425 1.948 ( 0.000 0.916 0.000) 0.916 2.000 ( 0.000 -1.410 0.000) 1.410 2.102 ( 0.000 1.777 0.000) 1.777 2.135 ( 0.000 -1.947 0.000) 1.947 2.234 ( 0.000 -0.973 0.000) 0.973 2.274 ( 0.000 -0.563 0.000) 0.563 2.342 ( 0.000 -2.871 0.000) 2.871 2.493 ( 0.000 -0.340 0.000) 0.340 2.518 ( 0.000 -4.327 0.000) 4.327 2.576 ( 0.000 -1.581 0.000) 1.581 2.630 ( 0.000 -0.078 0.000) 0.078 2.711 ( 0.000 6.465 0.000) 6.465 2.822 ( 0.000 -1.306 0.000) 1.306 2.895 ( 0.000 0.874 0.000) 0.874 3.010 ( 0.000 -0.848 0.000) 0.848 3.067 ( 0.000 2.772 0.000) 2.772 3.123 ( 0.000 0.671 0.000) 0.671 3.184 ( 0.000 1.819 0.000) 1.819 3.437 ( 0.000 -1.637 0.000) 1.637 3.515 ( 0.000 1.586 0.000) 1.586 3.610 ( 0.000 -0.259 0.000) 0.259 3.823 ( 0.000 0.668 0.000) 0.668 3.883 ( 0.000 1.626 0.000) 1.626 3.984 ( 0.000 -1.683 0.000) 1.683 4.018 ( 0.000 1.974 0.000) 1.974 4.115 ( 0.000 -0.139 0.000) 0.139 4.234 ( 0.000 0.114 0.000) 0.114 4.538 ( 0.000 0.937 0.000) 0.937 4.539 ( 0.000 1.393 0.000) 1.393 4.973 ( 0.000 -1.800 0.000) 1.800 5.103 ( 0.000 -1.049 0.000) 1.049 5.436 ( 0.000 -2.937 0.000) 2.937 5.626 ( 0.000 1.709 0.000) 1.709 5.851 ( 0.000 2.710 0.000) 2.710 5.969 ( 0.000 1.913 0.000) 1.913 6.080 ( 0.000 2.182 0.000) 2.182 6.208 ( 0.000 2.171 0.000) 2.171 6.454 ( 0.000 -1.551 0.000) 1.551 6.587 ( 0.000 -0.409 0.000) 0.409 6.752 ( 0.000 -2.867 0.000) 2.867 6.782 ( 0.000 -3.377 0.000) 3.377 6.888 ( 0.000 -2.009 0.000) 2.009 6.931 ( 0.000 -3.150 0.000) 3.150 7.151 ( 0.000 0.364 0.000) 0.364 7.186 ( 0.000 -0.622 0.000) 0.622 7.421 ( 0.000 -2.234 0.000) 2.234 7.463 ( 0.000 -0.005 0.000) 0.005 7.702 ( 0.000 1.483 0.000) 1.483 7.789 ( 0.000 0.515 0.000) 0.515 7.993 ( 0.000 0.067 0.000) 0.067 8.204 ( 0.000 -0.753 0.000) 0.753 8.303 ( 0.000 -0.538 0.000) 0.538 8.316 ( 0.000 -0.213 0.000) 0.213 9.603 ( 0.000 -0.363 0.000) 0.363 9.611 ( 0.000 -0.220 0.000) 0.220 11.314 ( 0.000 -0.510 0.000) 0.510 11.353 ( 0.000 -0.513 0.000) 0.513 11.604 ( 0.000 -1.029 0.000) 1.029 11.826 ( 0.000 -1.396 0.000) 1.396 12.126 ( 0.000 -0.866 0.000) 0.866 12.253 ( 0.000 -0.476 0.000) 0.476 12.321 ( 0.000 2.580 0.000) 2.580 12.483 ( 0.000 -0.375 0.000) 0.375 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 2.532 4.263 5.324) 7.276 0.455 ( 5.944 9.807 8.339) 14.179 0.522 ( 1.488 -1.490 0.974) 2.320 0.581 ( -2.958 -0.825 3.507) 4.662 0.645 ( 1.237 2.139 0.160) 2.476 0.796 ( 0.948 1.350 1.139) 2.004 0.807 ( 0.949 2.950 0.643) 3.165 0.837 ( 2.695 5.883 2.807) 7.054 0.891 ( 2.942 4.821 0.303) 5.656 0.928 ( 2.459 1.464 0.182) 2.868 0.996 ( 3.352 0.448 2.402) 4.148 1.055 ( 0.070 3.364 0.121) 3.367 1.116 ( 2.106 5.921 3.331) 7.113 1.228 ( -0.092 1.238 -0.418) 1.310 1.279 ( 5.292 3.749 0.291) 6.492 1.367 ( -0.907 -1.860 -0.665) 2.174 1.519 ( -1.775 2.607 -1.342) 3.428 1.588 ( 0.281 -2.207 1.812) 2.869 1.647 ( 1.213 0.553 2.108) 2.494 1.774 ( 1.156 -0.458 0.498) 1.340 1.867 ( -0.689 -0.644 2.338) 2.521 1.933 ( -1.733 1.280 0.468) 2.205 1.998 ( -1.167 -1.437 1.597) 2.445 2.067 ( -3.576 1.075 1.281) 3.947 2.149 ( 0.844 -1.999 -0.432) 2.212 2.216 ( -2.504 -3.197 -0.727) 4.125 2.282 ( 1.269 -1.229 -0.322) 1.796 2.333 ( -0.586 1.328 1.826) 2.332 2.468 ( -1.490 0.740 -2.678) 3.153 2.517 ( 0.123 -1.021 -0.593) 1.187 2.589 ( 0.792 -1.291 0.001) 1.514 2.629 ( 0.158 -0.950 -1.669) 1.927 2.684 ( 0.751 2.432 -1.462) 2.935 2.813 ( -1.947 0.554 -0.400) 2.063 2.886 ( 0.558 -0.724 -1.489) 1.747 2.974 ( -2.415 -0.029 0.173) 2.422 3.044 ( -0.404 3.301 -1.165) 3.524 3.123 ( 0.500 0.827 0.309) 1.015 3.281 ( 4.514 -0.005 3.742) 5.863 3.416 ( 0.217 -1.665 -5.297) 5.557 3.501 ( 1.308 1.397 -4.607) 4.989 3.599 ( 2.386 0.356 -4.469) 5.079 3.813 ( -1.758 1.054 0.344) 2.078 3.876 ( -0.864 3.052 0.379) 3.194 3.936 ( -2.162 -1.920 -0.291) 2.906 4.032 ( 0.669 1.464 -1.174) 1.992 4.142 ( -0.206 0.043 4.224) 4.229 4.242 ( -0.430 -0.273 1.993) 2.057 4.540 ( 0.301 0.880 0.041) 0.931 4.561 ( 1.445 1.002 1.031) 2.038 4.982 ( 0.585 -1.082 0.257) 1.256 5.101 ( -0.240 -1.249 -0.222) 1.291 5.482 ( 1.921 -2.378 2.748) 4.110 5.567 ( -2.954 2.517 -1.205) 4.063 5.858 ( 0.277 2.304 1.269) 2.645 5.978 ( 1.465 4.932 -1.794) 5.449 6.045 ( 1.156 1.436 -2.316) 2.960 6.197 ( 0.400 2.489 -1.328) 2.849 6.449 ( -0.628 -1.617 0.060) 1.736 6.585 ( -1.127 -0.482 1.276) 1.770 6.743 ( -1.223 -3.388 -1.163) 3.785 6.774 ( 0.223 -2.896 -1.351) 3.203 6.864 ( -1.955 -1.719 -0.317) 2.623 6.933 ( -0.256 -3.033 0.184) 3.049 7.140 ( -1.003 0.216 0.973) 1.414 7.187 ( -1.351 -0.884 1.387) 2.128 7.418 ( -0.434 -1.893 0.340) 1.972 7.468 ( 0.550 0.030 -0.672) 0.868 7.718 ( 0.348 0.055 0.532) 0.638 7.779 ( 0.353 1.424 -0.281) 1.493 8.035 ( 1.081 -0.944 3.022) 3.345 8.161 ( -3.103 -0.627 -2.232) 3.874 8.297 ( -0.136 -0.367 0.503) 0.638 8.341 ( -0.624 -1.425 1.831) 2.403 9.604 ( 1.111 -0.083 0.140) 1.123 9.634 ( 1.903 -0.641 -0.971) 2.230 11.300 ( -0.178 -0.002 -0.043) 0.183 11.369 ( -0.119 -1.826 -0.399) 1.873 11.672 ( 2.056 -3.484 4.814) 6.288 11.791 ( -2.206 -0.923 -1.924) 3.070 12.127 ( 0.472 -0.862 -0.512) 1.108 12.245 ( -0.582 0.913 0.069) 1.085 12.329 ( 1.341 2.496 -0.875) 2.966 12.454 ( -0.793 0.706 -0.455) 1.154 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -0.975 -0.400 2.995) 3.175 0.479 ( -2.815 1.894 0.325) 3.408 0.588 ( 2.274 2.982 3.472) 5.111 0.641 ( 0.197 2.339 1.900) 3.020 0.713 ( 4.725 -0.847 1.634) 5.071 0.779 ( 0.396 1.242 -1.428) 1.934 0.859 ( 1.418 2.159 -0.730) 2.684 0.882 ( 2.833 0.636 4.474) 5.334 0.964 ( 3.427 1.824 0.092) 3.883 0.981 ( 2.439 1.662 2.053) 3.595 1.062 ( 1.742 2.537 0.954) 3.222 1.108 ( 2.011 -0.120 3.133) 3.725 1.207 ( 1.044 1.773 1.748) 2.700 1.230 ( 2.382 -1.783 1.404) 3.290 1.340 ( -0.027 -0.372 -0.174) 0.411 1.405 ( 0.571 2.757 -0.386) 2.842 1.502 ( 2.055 1.432 2.358) 3.440 1.613 ( 2.555 2.113 0.753) 3.400 1.703 ( 2.432 -0.221 3.631) 4.376 1.789 ( -1.270 0.620 -0.939) 1.697 1.863 ( -1.238 -1.163 2.696) 3.186 1.943 ( -0.020 0.762 4.013) 4.085 1.998 ( -1.337 -1.728 1.946) 2.926 2.033 ( -2.207 0.657 1.631) 2.822 2.120 ( -3.202 -1.758 1.233) 3.856 2.200 ( 0.818 -0.785 1.953) 2.258 2.272 ( -0.667 1.738 -4.013) 4.424 2.366 ( 0.777 -0.031 3.503) 3.588 2.425 ( 0.103 1.156 0.223) 1.182 2.545 ( 2.729 0.119 -0.125) 2.734 2.556 ( -4.105 2.356 -1.504) 4.966 2.619 ( 0.066 -2.650 1.278) 2.943 2.673 ( 0.715 -0.613 -2.462) 2.635 2.789 ( 0.425 1.668 -1.897) 2.561 2.865 ( -0.033 -1.819 -2.739) 3.288 2.954 ( -0.641 0.565 -0.716) 1.115 3.029 ( 0.080 1.161 -0.582) 1.301 3.141 ( 0.504 0.071 0.707) 0.871 3.280 ( -2.243 -0.461 -9.506) 9.778 3.369 ( 0.482 0.390 -3.228) 3.287 3.505 ( 4.765 0.166 -1.330) 4.950 3.589 ( 3.203 0.277 -5.500) 6.371 3.778 ( -1.856 1.262 0.026) 2.245 3.861 ( -1.718 3.387 0.650) 3.853 3.916 ( -0.982 -0.432 0.932) 1.421 4.021 ( -0.979 2.274 -0.370) 2.503 4.192 ( 0.029 -0.046 4.480) 4.480 4.261 ( -0.472 -0.194 2.394) 2.448 4.543 ( 0.334 0.361 -0.630) 0.800 4.602 ( 1.561 0.754 1.100) 2.053 5.000 ( 1.004 -0.401 0.549) 1.213 5.091 ( -0.350 -0.866 -0.452) 1.038 5.502 ( -0.779 0.757 -0.021) 1.087 5.565 ( 0.337 1.281 2.728) 3.032 5.873 ( 0.420 1.268 0.261) 1.361 5.964 ( 1.307 0.419 -3.409) 3.675 6.089 ( 4.294 3.786 -0.403) 5.739 6.202 ( 1.214 0.184 -0.036) 1.228 6.436 ( -0.833 -1.708 -0.102) 1.903 6.571 ( -2.600 -1.187 0.891) 2.994 6.685 ( -2.144 -1.814 -1.981) 3.437 6.763 ( 0.002 -2.760 -0.787) 2.870 6.834 ( -1.468 -0.785 0.196) 1.676 6.923 ( -1.301 -2.395 0.609) 2.792 7.145 ( -0.510 -1.184 1.849) 2.253 7.177 ( -1.226 -0.552 1.251) 1.836 7.414 ( -0.296 -0.540 -0.188) 0.644 7.462 ( -0.460 0.075 0.014) 0.466 7.730 ( 1.188 -1.299 -0.413) 1.808 7.789 ( 0.656 0.663 -0.236) 0.962 8.059 ( -3.423 -0.478 -2.521) 4.278 8.089 ( -0.238 -0.175 2.463) 2.481 8.304 ( -0.168 -0.777 0.950) 1.239 8.336 ( -1.126 -0.692 0.520) 1.420 9.633 ( 1.784 -0.476 0.003) 1.846 9.653 ( 1.429 -0.041 -0.568) 1.539 11.305 ( 0.261 -0.374 0.407) 0.612 11.351 ( -0.775 -1.044 -0.672) 1.463 11.700 ( -2.343 -1.089 -2.683) 3.725 11.766 ( 0.537 -2.862 3.435) 4.503 12.130 ( 0.459 -0.862 -0.460) 1.079 12.237 ( -0.463 1.280 -0.089) 1.364 12.342 ( 1.310 1.943 -0.720) 2.451 12.462 ( 0.678 -0.208 1.245) 1.433 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -1.265 1.612 0.430) 2.094 0.453 ( -2.093 2.393 1.911) 3.709 0.611 ( 0.603 2.154 -0.883) 2.405 0.664 ( -1.549 1.776 1.054) 2.582 0.761 ( 1.773 0.122 0.510) 1.848 0.800 ( 2.007 -0.815 -0.489) 2.221 0.888 ( 2.245 0.856 -0.024) 2.403 0.954 ( 1.817 -1.295 0.537) 2.295 1.013 ( 1.767 0.801 0.861) 2.123 1.067 ( 2.255 2.111 2.139) 3.757 1.126 ( 3.292 0.242 3.581) 4.870 1.158 ( 1.375 -0.729 0.926) 1.811 1.204 ( 0.285 1.239 -0.332) 1.314 1.288 ( -0.334 -1.452 0.514) 1.576 1.356 ( -0.466 3.419 -0.085) 3.452 1.367 ( 0.927 1.051 0.685) 1.559 1.524 ( 0.231 -3.550 -0.392) 3.579 1.613 ( -2.777 -2.948 -0.606) 4.095 1.708 ( -3.142 -2.653 -1.071) 4.249 1.824 ( 0.310 -2.602 1.271) 2.912 1.917 ( 3.767 4.478 2.339) 6.302 1.958 ( -0.815 1.041 1.006) 1.662 2.011 ( 0.864 -0.359 0.193) 0.955 2.056 ( -0.100 1.027 3.307) 3.464 2.134 ( 0.449 0.545 5.238) 5.285 2.201 ( 0.377 3.800 -2.341) 4.479 2.311 ( 3.725 -0.415 7.370) 8.268 2.406 ( -0.606 -0.549 1.225) 1.473 2.442 ( -2.587 3.322 2.151) 4.728 2.480 ( -1.605 1.536 2.622) 3.437 2.579 ( 1.631 -1.644 -1.109) 2.568 2.647 ( 1.322 -0.141 -1.346) 1.892 2.667 ( 0.985 -1.800 0.051) 2.052 2.760 ( 0.036 -0.575 -2.234) 2.307 2.839 ( 0.848 -1.617 -3.350) 3.815 2.917 ( -1.248 1.146 -1.896) 2.543 3.030 ( -0.115 -0.569 -0.106) 0.590 3.101 ( -4.109 2.157 -10.346) 11.339 3.150 ( 0.344 -0.171 0.035) 0.386 3.315 ( -0.265 -0.350 -4.459) 4.481 3.570 ( 2.862 -1.774 -2.507) 4.198 3.587 ( 1.770 -1.348 -0.743) 2.346 3.780 ( 1.332 3.112 1.145) 3.574 3.833 ( -1.568 3.568 0.672) 3.955 3.919 ( -0.281 1.831 0.691) 1.977 3.987 ( -2.423 3.525 -0.304) 4.288 4.237 ( 0.154 -0.935 2.593) 2.760 4.278 ( -0.311 0.460 1.664) 1.754 4.536 ( 0.063 0.446 -0.940) 1.042 4.632 ( 0.841 0.619 0.465) 1.143 5.025 ( 0.885 -0.612 0.581) 1.223 5.083 ( -0.109 -0.167 -0.176) 0.266 5.496 ( 0.249 1.552 -0.154) 1.579 5.583 ( -1.203 1.769 1.510) 2.619 5.888 ( 1.120 1.688 -0.092) 2.027 5.960 ( 2.023 -2.274 -1.960) 3.620 6.143 ( 2.334 2.818 -0.578) 3.704 6.227 ( 0.596 -1.252 1.020) 1.722 6.418 ( -0.912 -1.426 -0.447) 1.750 6.512 ( -2.992 -1.259 -1.246) 3.478 6.659 ( -0.182 -1.192 0.194) 1.221 6.757 ( 0.171 -2.384 -0.435) 2.429 6.813 ( -1.439 0.477 0.239) 1.534 6.910 ( -1.054 -2.014 0.816) 2.415 7.150 ( -0.511 -2.203 0.493) 2.314 7.187 ( -0.043 -0.283 1.896) 1.918 7.400 ( -0.664 0.361 -0.480) 0.896 7.464 ( 0.218 -0.299 0.663) 0.759 7.747 ( 1.289 -1.872 -0.468) 2.321 7.787 ( -0.467 -0.587 -0.594) 0.956 7.972 ( -2.199 0.770 -2.296) 3.272 8.118 ( -0.208 -0.179 2.053) 2.071 8.304 ( -0.589 -1.192 0.135) 1.336 8.330 ( -0.206 -0.254 0.598) 0.682 9.655 ( 1.018 -0.220 -0.383) 1.110 9.671 ( 0.939 -0.132 0.054) 0.950 11.313 ( 0.175 -0.884 0.198) 0.923 11.338 ( -0.169 -0.193 0.033) 0.259 11.622 ( -2.191 -0.990 -2.682) 3.602 11.812 ( 0.433 -2.535 2.194) 3.381 12.132 ( 0.263 -0.882 -0.257) 0.955 12.227 ( -0.429 1.096 -0.186) 1.192 12.356 ( 0.861 1.371 -0.270) 1.641 12.491 ( 0.727 -0.483 1.163) 1.454 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 0.000 3.251 0.000) 3.251 0.448 ( 0.000 3.152 -0.000) 3.152 0.613 ( 0.000 1.930 0.000) 1.930 0.643 ( 0.000 0.967 -0.000) 0.967 0.784 ( 0.000 0.683 0.000) 0.683 0.815 ( 0.000 -1.315 0.000) 1.315 0.909 ( 0.000 0.056 0.000) 0.056 0.969 ( 0.000 -2.274 0.000) 2.274 1.043 ( 0.000 -0.310 -0.000) 0.310 1.094 ( 0.000 1.554 0.000) 1.554 1.147 ( 0.000 -1.817 0.000) 1.817 1.210 ( -0.000 2.702 -0.000) 2.702 1.230 ( 0.000 0.166 0.000) 0.166 1.248 ( -0.000 2.242 0.000) 2.242 1.357 ( 0.000 1.951 0.000) 1.951 1.396 ( -0.000 0.872 0.000) 0.872 1.524 ( -0.000 -5.116 -0.000) 5.116 1.572 ( 0.000 -4.417 0.000) 4.417 1.666 ( -0.000 -3.055 0.000) 3.055 1.825 ( 0.000 -3.817 0.000) 3.817 1.940 ( 0.000 2.062 -0.000) 2.062 1.982 ( 0.000 2.514 0.000) 2.514 2.019 ( 0.000 1.673 0.000) 1.673 2.067 ( -0.000 1.335 0.000) 1.335 2.170 ( 0.000 2.905 0.000) 2.905 2.227 ( -0.000 2.407 0.000) 2.407 2.366 ( -0.000 2.330 0.000) 2.330 2.415 ( -0.000 0.332 -0.000) 0.332 2.457 ( -0.000 0.079 -0.000) 0.079 2.489 ( 0.000 0.677 0.000) 0.677 2.587 ( 0.000 -2.105 0.000) 2.105 2.649 ( 0.000 -0.060 -0.000) 0.060 2.678 ( 0.000 -0.294 0.000) 0.294 2.760 ( -0.000 -1.861 0.000) 1.861 2.815 ( 0.000 -3.342 -0.000) 3.342 2.908 ( 0.000 0.998 0.000) 0.998 2.951 ( -0.000 3.146 0.000) 3.146 3.036 ( 0.000 0.153 0.000) 0.153 3.157 ( 0.000 0.313 0.000) 0.313 3.282 ( 0.000 -0.400 -0.000) 0.400 3.567 ( 0.000 -4.316 0.000) 4.316 3.607 ( 0.000 -0.712 0.000) 0.712 3.795 ( -0.000 1.650 0.000) 1.650 3.849 ( -0.000 6.969 0.000) 6.969 3.912 ( 0.000 3.385 0.000) 3.385 3.957 ( 0.000 2.550 0.000) 2.550 4.252 ( 0.000 -1.246 0.000) 1.246 4.287 ( 0.000 0.595 0.000) 0.595 4.530 ( 0.000 0.674 0.000) 0.674 4.641 ( 0.000 0.641 0.000) 0.641 5.036 ( 0.000 -0.940 0.000) 0.940 5.082 ( 0.000 0.227 0.000) 0.227 5.500 ( 0.000 2.281 0.000) 2.281 5.576 ( 0.000 1.282 -0.000) 1.282 5.898 ( 0.000 2.555 0.000) 2.555 5.974 ( 0.000 -3.695 0.000) 3.695 6.156 ( 0.000 0.558 0.000) 0.558 6.240 ( -0.000 -0.057 0.000) 0.057 6.404 ( 0.000 -1.193 0.000) 1.193 6.476 ( 0.000 -0.758 0.000) 0.758 6.661 ( 0.000 -1.579 0.000) 1.579 6.758 ( 0.000 -2.375 0.000) 2.375 6.798 ( 0.000 1.245 0.000) 1.245 6.906 ( 0.000 -1.824 0.000) 1.824 7.148 ( 0.000 -2.343 0.000) 2.343 7.200 ( 0.000 -0.404 -0.000) 0.404 7.390 ( -0.000 0.359 0.000) 0.359 7.473 ( 0.000 -0.323 0.000) 0.323 7.758 ( 0.000 -1.102 0.000) 1.102 7.771 ( 0.000 -2.011 0.000) 2.011 7.941 ( 0.000 1.360 0.000) 1.360 8.127 ( 0.000 -0.123 0.000) 0.123 8.298 ( 0.000 -1.164 0.000) 1.164 8.333 ( 0.000 -0.382 0.000) 0.382 9.661 ( 0.000 0.016 0.000) 0.016 9.680 ( 0.000 -0.312 0.000) 0.312 11.315 ( 0.000 -1.131 0.000) 1.131 11.340 ( 0.000 0.200 0.000) 0.200 11.584 ( 0.000 -1.059 0.000) 1.059 11.828 ( 0.000 -2.375 0.000) 2.375 12.133 ( 0.000 -0.896 0.000) 0.896 12.222 ( 0.000 0.980 0.000) 0.980 12.362 ( 0.000 1.213 0.000) 1.213 12.505 ( 0.000 -0.545 0.000) 0.545 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 0.000 0.450 0.000) 0.450 0.418 ( 0.000 1.487 0.000) 1.487 0.576 ( 0.000 3.349 0.000) 3.349 0.630 ( 0.000 3.875 0.000) 3.875 0.721 ( 0.000 2.251 0.000) 2.251 0.750 ( 0.000 0.805 0.000) 0.805 0.863 ( 0.000 1.839 0.000) 1.839 0.873 ( 0.000 2.056 0.000) 2.056 0.907 ( 0.000 1.907 0.000) 1.907 0.977 ( 0.000 1.275 0.000) 1.275 1.061 ( 0.000 -0.746 0.000) 0.746 1.170 ( 0.000 12.085 0.000) 12.085 1.219 ( 0.000 1.849 0.000) 1.849 1.259 ( 0.000 0.022 0.000) 0.022 1.332 ( 0.000 10.084 0.000) 10.084 1.381 ( 0.000 2.248 0.000) 2.248 1.547 ( 0.000 3.401 0.000) 3.401 1.564 ( 0.000 -0.049 0.000) 0.049 1.656 ( 0.000 0.452 0.000) 0.452 1.766 ( 0.000 2.753 0.000) 2.753 1.853 ( 0.000 0.205 0.000) 0.205 1.941 ( 0.000 -1.665 0.000) 1.665 2.001 ( 0.000 0.220 0.000) 0.220 2.047 ( 0.000 -3.343 0.000) 3.343 2.142 ( 0.000 -0.427 0.000) 0.427 2.182 ( 0.000 -3.353 0.000) 3.353 2.261 ( 0.000 1.122 0.000) 1.122 2.343 ( 0.000 -0.841 0.000) 0.841 2.397 ( 0.000 -4.571 0.000) 4.571 2.496 ( 0.000 0.138 0.000) 0.138 2.520 ( 0.000 -3.443 0.000) 3.443 2.648 ( 0.000 1.247 0.000) 1.247 2.791 ( 0.000 -0.584 0.000) 0.584 2.816 ( 0.000 1.116 0.000) 1.116 2.910 ( 0.000 -0.162 0.000) 0.162 2.984 ( 0.000 1.044 0.000) 1.044 3.119 ( 0.000 1.066 0.000) 1.066 3.158 ( 0.000 2.896 0.000) 2.896 3.234 ( 0.000 2.881 0.000) 2.881 3.414 ( 0.000 -0.674 0.000) 0.674 3.542 ( 0.000 1.138 0.000) 1.138 3.600 ( 0.000 -0.757 0.000) 0.757 3.829 ( 0.000 0.368 0.000) 0.368 3.931 ( 0.000 -0.477 0.000) 0.477 3.945 ( 0.000 0.957 0.000) 0.957 4.061 ( 0.000 1.865 0.000) 1.865 4.113 ( 0.000 -0.121 0.000) 0.121 4.235 ( 0.000 0.138 0.000) 0.138 4.560 ( 0.000 1.555 0.000) 1.555 4.587 ( 0.000 2.826 0.000) 2.826 4.930 ( 0.000 -2.157 0.000) 2.157 5.077 ( 0.000 -1.401 0.000) 1.401 5.391 ( 0.000 -1.360 0.000) 1.360 5.636 ( 0.000 -0.454 0.000) 0.454 5.925 ( 0.000 4.461 0.000) 4.461 6.031 ( 0.000 3.702 0.000) 3.702 6.130 ( 0.000 2.175 0.000) 2.175 6.247 ( 0.000 1.681 0.000) 1.681 6.417 ( 0.000 -1.938 0.000) 1.938 6.562 ( 0.000 -1.950 0.000) 1.950 6.681 ( 0.000 -4.325 0.000) 4.325 6.724 ( 0.000 -1.801 0.000) 1.801 6.824 ( 0.000 -3.911 0.000) 3.911 6.858 ( 0.000 -3.286 0.000) 3.286 7.153 ( 0.000 -0.381 0.000) 0.381 7.175 ( 0.000 -0.466 0.000) 0.466 7.376 ( 0.000 -1.918 0.000) 1.918 7.456 ( 0.000 -0.589 0.000) 0.589 7.735 ( 0.000 1.602 0.000) 1.602 7.801 ( 0.000 0.569 0.000) 0.569 7.995 ( 0.000 0.093 0.000) 0.093 8.182 ( 0.000 -1.319 0.000) 1.319 8.294 ( 0.000 -0.248 0.000) 0.248 8.309 ( 0.000 -0.386 0.000) 0.386 9.595 ( 0.000 -0.415 0.000) 0.415 9.606 ( 0.000 -0.326 0.000) 0.326 11.303 ( 0.000 -0.525 0.000) 0.525 11.338 ( 0.000 -0.921 0.000) 0.921 11.580 ( 0.000 -1.234 0.000) 1.234 11.792 ( 0.000 -1.725 0.000) 1.725 12.108 ( 0.000 -0.815 0.000) 0.815 12.249 ( 0.000 -0.015 0.000) 0.015 12.370 ( 0.000 2.135 0.000) 2.135 12.477 ( 0.000 -0.155 0.000) 0.155 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.180 -0.418 0.149) 0.478 0.458 ( 3.177 -2.822 0.743) 4.313 0.562 ( -1.913 1.162 3.699) 4.323 0.664 ( 1.857 7.125 3.103) 7.990 0.695 ( 0.266 2.342 -0.744) 2.472 0.812 ( 2.607 0.377 1.184) 2.888 0.857 ( -1.388 2.906 1.021) 3.379 0.905 ( 1.203 2.250 2.366) 3.479 0.932 ( 2.251 1.180 0.169) 2.547 0.975 ( 1.110 1.022 0.069) 1.510 1.068 ( -0.198 1.178 1.459) 1.886 1.133 ( -1.287 5.757 -0.321) 5.908 1.228 ( 0.078 2.066 -0.707) 2.185 1.274 ( -2.222 5.627 0.246) 6.055 1.321 ( 0.468 -1.493 0.588) 1.671 1.397 ( 1.891 4.575 1.827) 5.277 1.537 ( -1.855 -0.653 0.168) 1.974 1.609 ( 3.422 3.717 0.129) 5.054 1.674 ( 1.084 3.770 2.768) 4.801 1.786 ( 2.501 1.480 0.310) 2.922 1.864 ( -2.082 0.274 1.695) 2.698 1.935 ( -4.281 -4.475 0.821) 6.248 1.953 ( 0.476 0.133 0.761) 0.908 2.057 ( -0.949 0.201 1.966) 2.192 2.130 ( -3.241 -1.409 1.050) 3.687 2.162 ( 0.631 -1.236 -0.945) 1.679 2.268 ( 1.064 0.673 0.155) 1.268 2.363 ( 1.275 -0.427 1.313) 1.879 2.418 ( 0.322 -3.727 -0.835) 3.833 2.501 ( 1.628 -1.715 -0.230) 2.376 2.547 ( 1.635 -1.299 1.332) 2.477 2.621 ( -1.520 -0.040 -1.569) 2.185 2.759 ( -0.842 2.728 -2.620) 3.875 2.804 ( -0.655 -0.397 -1.164) 1.393 2.887 ( -0.248 0.637 -2.964) 3.041 2.978 ( -1.492 0.574 0.963) 1.866 3.083 ( -1.691 0.286 -1.503) 2.280 3.156 ( -0.834 2.137 0.475) 2.343 3.295 ( 2.989 1.643 2.246) 4.084 3.396 ( 1.747 -0.383 -4.711) 5.039 3.527 ( 0.754 1.150 -4.499) 4.704 3.598 ( 1.998 -0.621 -3.268) 3.881 3.841 ( -0.012 1.171 -0.137) 1.179 3.874 ( -1.125 -1.218 -0.828) 1.854 3.970 ( -0.590 3.224 1.984) 3.832 4.060 ( -0.045 1.265 -1.193) 1.740 4.145 ( 0.540 0.231 4.287) 4.327 4.233 ( -0.632 -0.592 1.213) 1.490 4.568 ( 0.289 1.958 0.137) 1.984 4.593 ( 0.991 2.026 0.227) 2.267 4.952 ( 1.457 -1.737 0.774) 2.396 5.074 ( 0.133 -1.289 -0.577) 1.419 5.448 ( 3.497 -0.917 3.319) 4.907 5.593 ( -2.503 0.258 -1.627) 2.997 5.925 ( -1.210 3.907 0.898) 4.187 6.046 ( 0.893 2.475 -0.644) 2.709 6.101 ( -0.511 2.841 -1.284) 3.159 6.242 ( 0.836 2.035 -2.208) 3.117 6.416 ( -0.755 -1.358 0.704) 1.706 6.558 ( -1.193 -1.981 0.940) 2.496 6.670 ( -0.955 -4.082 -0.733) 4.256 6.716 ( 0.031 -2.224 -1.022) 2.447 6.813 ( -0.904 -3.011 -0.252) 3.154 6.859 ( 0.414 -3.697 -0.314) 3.734 7.138 ( -1.611 -0.340 0.527) 1.729 7.172 ( -1.166 -0.673 1.096) 1.736 7.385 ( 0.630 -1.257 0.603) 1.530 7.459 ( 0.748 -0.755 -0.899) 1.392 7.729 ( -1.066 0.856 0.350) 1.412 7.797 ( -0.334 0.387 0.046) 0.513 8.024 ( 1.262 -0.241 2.303) 2.637 8.144 ( -2.551 -0.976 -2.246) 3.536 8.291 ( -0.397 -0.118 0.429) 0.596 8.317 ( -0.268 -0.959 1.035) 1.436 9.601 ( 1.007 -0.200 -0.003) 1.027 9.622 ( 1.607 -0.519 -0.122) 1.693 11.297 ( -0.261 -0.223 -0.128) 0.366 11.336 ( -0.242 -1.496 -0.303) 1.545 11.622 ( 1.841 -1.862 3.413) 4.301 11.762 ( -1.963 -1.626 -2.068) 3.282 12.109 ( 0.246 -0.856 -0.243) 0.924 12.252 ( 0.115 0.122 0.192) 0.255 12.381 ( 0.839 2.292 0.202) 2.449 12.460 ( -0.758 0.079 -0.867) 1.154 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 1.847 -1.635 -1.157) 2.725 0.487 ( -0.200 0.359 1.340) 1.402 0.617 ( 2.044 -1.603 3.014) 3.979 0.684 ( 0.488 2.824 -1.107) 3.072 0.755 ( 1.120 3.852 3.347) 5.224 0.819 ( -0.987 1.327 -1.107) 1.990 0.872 ( 0.544 0.770 1.709) 1.951 0.929 ( 1.006 2.114 0.684) 2.439 0.983 ( 3.340 0.858 0.356) 3.467 1.022 ( 1.799 2.696 1.601) 3.616 1.104 ( 1.809 0.294 2.156) 2.829 1.135 ( -0.282 2.271 1.552) 2.765 1.204 ( -1.312 1.175 -0.003) 1.761 1.250 ( -0.268 1.764 1.473) 2.314 1.338 ( 1.316 -1.082 -0.488) 1.772 1.448 ( 0.724 1.119 1.330) 1.883 1.502 ( -2.700 0.448 1.151) 2.969 1.614 ( -2.024 -1.355 -1.565) 2.894 1.720 ( -3.698 -2.428 0.760) 4.488 1.780 ( -0.332 -0.551 0.688) 0.942 1.896 ( 4.701 5.055 4.184) 8.072 1.949 ( -1.272 -0.327 5.149) 5.314 1.982 ( 2.232 1.889 0.389) 2.950 2.053 ( -2.090 1.367 3.507) 4.305 2.103 ( -1.550 -0.743 2.983) 3.443 2.190 ( 1.779 -0.283 2.046) 2.726 2.293 ( 1.178 0.614 -1.156) 1.761 2.366 ( -0.923 -0.380 -0.469) 1.103 2.421 ( 2.041 -0.900 0.470) 2.279 2.537 ( 1.131 -1.712 0.771) 2.192 2.563 ( -0.514 -1.777 0.090) 1.852 2.610 ( 0.760 0.779 0.254) 1.117 2.698 ( -2.251 3.452 -2.084) 4.618 2.794 ( 1.157 -0.192 -1.710) 2.073 2.840 ( -0.513 -0.353 -4.310) 4.355 2.964 ( -0.113 0.114 -0.860) 0.875 3.042 ( -1.427 -0.267 -1.147) 1.850 3.139 ( -1.233 -0.244 0.127) 1.264 3.278 ( -0.406 0.441 -7.738) 7.761 3.384 ( -0.325 0.917 -5.029) 5.122 3.509 ( 3.436 0.052 -0.922) 3.558 3.578 ( 1.231 -1.253 -5.226) 5.513 3.819 ( 0.231 1.950 0.327) 1.991 3.908 ( 1.156 2.559 1.906) 3.393 3.960 ( -1.535 3.474 0.192) 3.803 4.058 ( 0.175 1.190 0.899) 1.501 4.196 ( -0.013 0.339 3.009) 3.028 4.252 ( -0.102 -0.717 3.017) 3.103 4.567 ( 0.293 2.149 -0.832) 2.323 4.623 ( 1.399 1.371 0.879) 2.146 4.984 ( 1.151 -1.182 0.722) 1.801 5.072 ( 0.588 -0.820 -0.623) 1.186 5.517 ( 0.446 0.840 -0.054) 0.953 5.581 ( 1.902 0.130 2.446) 3.101 5.897 ( -2.019 1.689 -0.438) 2.668 6.018 ( -0.797 3.501 -1.972) 4.097 6.120 ( 1.359 -1.124 0.363) 1.801 6.235 ( 1.531 3.181 -1.686) 3.912 6.409 ( -0.779 -0.436 0.420) 0.987 6.535 ( -2.364 -1.982 -0.031) 3.085 6.636 ( -1.469 -3.115 -0.605) 3.497 6.709 ( 0.310 -2.502 -0.704) 2.617 6.803 ( -0.085 -2.068 0.226) 2.082 6.861 ( -0.037 -3.294 -0.038) 3.294 7.119 ( -1.572 -1.187 0.825) 2.135 7.167 ( -1.142 -0.518 1.885) 2.264 7.406 ( 0.914 -0.272 0.303) 1.001 7.454 ( -0.204 -0.798 -0.750) 1.114 7.714 ( -0.510 -0.199 -0.090) 0.555 7.788 ( -0.877 -0.705 -0.101) 1.130 8.052 ( -2.108 -0.060 -1.605) 2.651 8.083 ( -0.097 -0.433 1.500) 1.564 8.290 ( -0.633 -0.565 0.583) 1.029 8.319 ( -0.601 -0.863 0.733) 1.282 9.626 ( 1.707 -0.243 -0.032) 1.724 9.648 ( 1.520 -0.344 -0.214) 1.573 11.294 ( -0.106 -0.598 0.022) 0.608 11.327 ( -0.250 -1.111 0.035) 1.139 11.674 ( -1.620 -1.274 -1.485) 2.540 11.708 ( 0.285 -2.644 1.831) 3.228 12.111 ( 0.270 -0.950 -0.289) 1.029 12.254 ( -0.251 0.420 0.076) 0.495 12.389 ( 0.515 2.339 -0.863) 2.546 12.457 ( 0.599 -0.235 0.763) 0.998 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 3.569 0.026 -2.260) 4.224 0.504 ( -1.226 2.637 3.558) 4.595 0.659 ( 0.435 -1.203 -0.843) 1.532 0.682 ( 0.456 2.827 0.184) 2.869 0.747 ( -2.014 -0.124 -0.062) 2.018 0.810 ( 0.445 1.035 0.150) 1.136 0.910 ( 2.115 -0.769 0.434) 2.292 0.938 ( -0.193 1.456 -0.838) 1.691 1.031 ( 0.797 1.005 0.709) 1.466 1.090 ( 3.609 -1.312 2.124) 4.388 1.129 ( 0.175 -0.091 0.070) 0.209 1.144 ( 0.525 2.252 -0.567) 2.381 1.222 ( 1.298 -0.602 2.576) 2.946 1.286 ( 0.077 1.019 2.785) 2.966 1.362 ( 1.870 -2.143 -0.175) 2.849 1.426 ( -4.196 0.414 -0.597) 4.258 1.493 ( 0.580 2.475 -0.001) 2.542 1.527 ( -4.906 -4.305 1.348) 6.665 1.659 ( -1.894 -0.927 -1.280) 2.467 1.801 ( -0.205 0.171 0.819) 0.862 1.932 ( -0.540 -1.535 -0.240) 1.645 1.980 ( -0.119 0.151 2.149) 2.158 2.065 ( 2.133 2.756 1.783) 3.915 2.086 ( 0.777 3.267 1.921) 3.868 2.147 ( -0.048 0.261 6.761) 6.766 2.262 ( 2.157 2.071 1.157) 3.206 2.304 ( 2.959 0.055 2.043) 3.597 2.386 ( 0.919 -0.372 2.623) 2.804 2.454 ( 0.626 -1.087 0.568) 1.377 2.547 ( 0.350 -0.758 -1.013) 1.313 2.569 ( -2.308 2.334 3.611) 4.880 2.607 ( 0.092 -1.244 0.927) 1.554 2.685 ( 1.216 2.601 0.015) 2.872 2.743 ( -0.420 -0.721 -5.949) 6.007 2.806 ( 0.514 -1.180 -3.356) 3.594 2.940 ( -0.293 1.092 -2.384) 2.638 3.016 ( -0.498 -0.862 -0.171) 1.010 3.125 ( -2.372 -0.838 -2.650) 3.654 3.159 ( -0.328 1.711 -4.980) 5.276 3.290 ( -1.591 -2.112 -5.560) 6.157 3.514 ( -0.359 -3.004 -4.910) 5.767 3.584 ( 2.469 0.549 1.751) 3.077 3.844 ( 0.240 3.112 0.233) 3.130 3.930 ( 1.792 5.087 1.211) 5.528 3.969 ( 0.627 2.634 1.378) 3.038 4.060 ( -1.293 3.372 0.256) 3.621 4.219 ( -0.306 -0.813 1.781) 1.981 4.283 ( -0.019 0.084 2.044) 2.046 4.563 ( 0.392 2.286 -0.813) 2.458 4.651 ( 0.786 1.332 0.516) 1.630 5.005 ( 0.555 -1.292 0.372) 1.455 5.079 ( 0.645 -0.142 -0.150) 0.677 5.526 ( 1.730 1.257 -0.789) 2.279 5.622 ( -0.923 1.621 1.687) 2.514 5.873 ( 0.318 -1.432 -0.597) 1.583 5.991 ( -0.499 3.192 -0.870) 3.346 6.123 ( -0.774 -3.421 -0.266) 3.518 6.259 ( 2.028 3.055 0.011) 3.667 6.399 ( -0.606 0.397 -0.157) 0.741 6.486 ( -2.029 -1.122 -0.976) 2.516 6.620 ( -0.420 -2.632 0.313) 2.684 6.708 ( 0.233 -2.380 -0.314) 2.411 6.810 ( 0.223 -0.961 0.360) 1.050 6.856 ( -0.552 -2.752 0.300) 2.823 7.103 ( -1.005 -2.167 0.283) 2.406 7.179 ( -0.228 -0.417 1.925) 1.983 7.408 ( -0.271 0.390 -0.807) 0.937 7.452 ( 0.366 -0.865 0.519) 1.073 7.714 ( 0.582 -1.241 -0.187) 1.383 7.762 ( -1.649 -1.649 -0.513) 2.388 7.991 ( -1.437 1.033 -1.654) 2.422 8.112 ( 0.114 -0.408 1.731) 1.782 8.281 ( -0.687 -0.975 0.038) 1.194 8.319 ( -0.301 -0.731 0.575) 0.977 9.651 ( 1.233 -0.140 -0.108) 1.246 9.666 ( 0.812 -0.297 -0.135) 0.875 11.291 ( -0.138 -1.177 -0.105) 1.189 11.333 ( 0.255 -0.262 0.683) 0.775 11.598 ( -2.266 -1.249 -2.757) 3.781 11.755 ( 0.719 -2.725 2.119) 3.526 12.111 ( 0.149 -1.038 -0.179) 1.064 12.246 ( -0.486 0.647 -0.147) 0.823 12.388 ( 0.502 1.637 -0.552) 1.799 12.482 ( 0.761 -0.266 0.923) 1.225 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 0.963 -0.000) 0.963 0.517 ( -0.000 3.462 0.000) 3.462 0.648 ( 0.000 -0.471 0.000) 0.471 0.678 ( 0.000 4.252 0.000) 4.252 0.741 ( 0.000 -3.678 0.000) 3.678 0.817 ( 0.000 0.350 0.000) 0.350 0.924 ( 0.000 0.741 0.000) 0.741 0.933 ( 0.000 -0.349 0.000) 0.349 1.047 ( 0.000 0.600 0.000) 0.600 1.096 ( 0.000 -2.981 0.000) 2.981 1.142 ( 0.000 2.394 0.000) 2.394 1.189 ( 0.000 -2.041 0.000) 2.041 1.252 ( 0.000 0.097 -0.000) 0.097 1.301 ( -0.000 0.969 0.000) 0.969 1.338 ( 0.000 -2.334 0.000) 2.334 1.390 ( 0.000 -2.938 -0.000) 2.938 1.493 ( 0.000 0.616 -0.000) 0.616 1.520 ( 0.000 1.432 0.000) 1.432 1.624 ( -0.000 0.501 0.000) 0.501 1.802 ( -0.000 0.966 0.000) 0.966 1.923 ( -0.000 -2.908 0.000) 2.908 1.994 ( 0.000 -0.012 0.000) 0.012 2.082 ( -0.000 1.084 0.000) 1.084 2.102 ( 0.000 3.622 0.000) 3.622 2.204 ( 0.000 0.169 0.000) 0.169 2.288 ( 0.000 3.451 -0.000) 3.451 2.351 ( 0.000 -1.479 -0.000) 1.479 2.428 ( -0.000 -0.884 -0.000) 0.884 2.461 ( 0.000 0.295 -0.000) 0.295 2.530 ( -0.000 1.461 0.000) 1.461 2.571 ( 0.000 -1.079 -0.000) 1.079 2.625 ( 0.000 0.759 -0.000) 0.759 2.703 ( 0.000 2.043 -0.000) 2.043 2.731 ( 0.000 -1.438 0.000) 1.438 2.750 ( -0.000 -1.556 -0.000) 1.556 2.933 ( 0.000 1.553 0.000) 1.553 3.000 ( -0.000 1.306 0.000) 1.306 3.044 ( 0.000 0.875 -0.000) 0.875 3.161 ( -0.000 0.006 0.000) 0.006 3.239 ( 0.000 -4.111 -0.000) 4.111 3.474 ( 0.000 -4.312 0.000) 4.312 3.620 ( -0.000 1.492 0.000) 1.492 3.837 ( -0.000 2.824 0.000) 2.824 3.971 ( -0.000 1.635 0.000) 1.635 4.003 ( -0.000 6.726 -0.000) 6.726 4.023 ( 0.000 4.402 0.000) 4.402 4.227 ( 0.000 -1.159 0.000) 1.159 4.295 ( 0.000 0.230 0.000) 0.230 4.562 ( 0.000 2.478 -0.000) 2.478 4.661 ( 0.000 1.360 0.000) 1.360 5.011 ( 0.000 -1.391 0.000) 1.391 5.085 ( 0.000 0.069 0.000) 0.069 5.543 ( 0.000 1.737 0.000) 1.737 5.614 ( 0.000 2.053 -0.000) 2.053 5.878 ( 0.000 -3.366 0.000) 3.366 5.982 ( -0.000 2.886 0.000) 2.886 6.110 ( 0.000 -3.254 -0.000) 3.254 6.282 ( 0.000 2.406 0.000) 2.406 6.390 ( 0.000 0.821 0.000) 0.821 6.462 ( 0.000 -0.556 0.000) 0.556 6.619 ( 0.000 -2.551 0.000) 2.551 6.708 ( 0.000 -2.390 0.000) 2.390 6.813 ( 0.000 0.019 0.000) 0.019 6.854 ( 0.000 -2.935 0.000) 2.935 7.096 ( 0.000 -2.524 0.000) 2.524 7.191 ( 0.000 -0.462 -0.000) 0.462 7.398 ( 0.000 0.367 -0.000) 0.367 7.461 ( 0.000 -0.776 0.000) 0.776 7.728 ( 0.000 -2.012 0.000) 2.012 7.732 ( -0.000 -1.416 0.000) 1.416 7.970 ( 0.000 1.413 0.000) 1.413 8.123 ( 0.000 -0.370 0.000) 0.370 8.275 ( 0.000 -1.061 0.000) 1.061 8.320 ( 0.000 -0.836 0.000) 0.836 9.661 ( 0.000 0.003 0.000) 0.003 9.672 ( 0.000 -0.378 0.000) 0.378 11.289 ( 0.000 -1.281 0.000) 1.281 11.342 ( 0.000 0.023 0.000) 0.023 11.559 ( 0.000 -1.324 0.000) 1.324 11.774 ( 0.000 -2.691 0.000) 2.691 12.112 ( 0.000 -1.074 0.000) 1.074 12.240 ( 0.000 0.684 0.000) 0.684 12.390 ( 0.000 1.394 0.000) 1.394 12.495 ( 0.000 -0.308 0.000) 0.308 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 0.000 0.613 0.000) 0.613 0.379 ( 0.000 -2.952 0.000) 2.952 0.620 ( 0.000 1.435 0.000) 1.435 0.717 ( 0.000 1.312 0.000) 1.312 0.733 ( 0.000 -0.175 0.000) 0.175 0.797 ( 0.000 4.160 0.000) 4.160 0.881 ( 0.000 -1.283 0.000) 1.283 0.917 ( 0.000 2.913 0.000) 2.913 0.959 ( 0.000 1.945 0.000) 1.945 1.010 ( 0.000 0.017 0.000) 0.017 1.038 ( 0.000 1.088 0.000) 1.088 1.163 ( 0.000 -4.926 0.000) 4.926 1.234 ( 0.000 0.588 0.000) 0.588 1.319 ( 0.000 2.592 0.000) 2.592 1.400 ( 0.000 -0.094 0.000) 0.094 1.526 ( 0.000 -1.150 0.000) 1.150 1.551 ( 0.000 8.587 0.000) 8.587 1.637 ( 0.000 -0.835 0.000) 0.835 1.741 ( 0.000 7.499 0.000) 7.499 1.822 ( 0.000 -3.014 0.000) 3.014 1.847 ( 0.000 2.753 0.000) 2.753 1.886 ( 0.000 -1.661 0.000) 1.661 1.985 ( 0.000 0.607 0.000) 0.607 2.056 ( 0.000 2.218 0.000) 2.218 2.112 ( 0.000 -1.017 0.000) 1.017 2.146 ( 0.000 -0.781 0.000) 0.781 2.182 ( 0.000 -7.835 0.000) 7.835 2.354 ( 0.000 2.762 0.000) 2.762 2.365 ( 0.000 -0.350 0.000) 0.350 2.444 ( 0.000 -3.562 0.000) 3.562 2.526 ( 0.000 1.876 0.000) 1.876 2.663 ( 0.000 0.070 0.000) 0.070 2.774 ( 0.000 -0.555 0.000) 0.555 2.791 ( 0.000 -2.049 0.000) 2.049 2.900 ( 0.000 -0.169 0.000) 0.169 3.037 ( 0.000 1.980 0.000) 1.980 3.141 ( 0.000 1.253 0.000) 1.253 3.186 ( 0.000 -0.124 0.000) 0.124 3.294 ( 0.000 2.481 0.000) 2.481 3.406 ( 0.000 -0.272 0.000) 0.272 3.555 ( 0.000 0.014 0.000) 0.014 3.585 ( 0.000 -0.410 0.000) 0.410 3.845 ( 0.000 1.067 0.000) 1.067 3.885 ( 0.000 -1.927 0.000) 1.927 3.989 ( 0.000 1.275 0.000) 1.275 4.086 ( 0.000 0.781 0.000) 0.781 4.105 ( 0.000 -0.638 0.000) 0.638 4.243 ( 0.000 0.417 0.000) 0.417 4.592 ( 0.000 1.192 0.000) 1.192 4.636 ( 0.000 1.598 0.000) 1.598 4.896 ( 0.000 -1.024 0.000) 1.024 5.054 ( 0.000 -0.687 0.000) 0.687 5.378 ( 0.000 -0.189 0.000) 0.189 5.623 ( 0.000 -0.515 0.000) 0.515 6.014 ( 0.000 3.856 0.000) 3.856 6.083 ( 0.000 0.571 0.000) 0.571 6.145 ( 0.000 -0.286 0.000) 0.286 6.280 ( 0.000 1.237 0.000) 1.237 6.394 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 -0.096 0.000) 0.096 6.585 ( 0.000 -4.586 0.000) 4.586 6.696 ( 0.000 -1.099 0.000) 1.099 6.780 ( 0.000 -0.006 0.000) 0.006 6.805 ( 0.000 -2.060 0.000) 2.060 7.142 ( 0.000 -0.387 0.000) 0.387 7.166 ( 0.000 -0.304 0.000) 0.304 7.351 ( 0.000 -0.566 0.000) 0.566 7.445 ( 0.000 -0.365 0.000) 0.365 7.759 ( 0.000 0.659 0.000) 0.659 7.809 ( 0.000 0.215 0.000) 0.215 7.997 ( 0.000 0.071 0.000) 0.071 8.159 ( 0.000 -0.710 0.000) 0.710 8.294 ( 0.000 0.156 0.000) 0.156 8.301 ( 0.000 -0.361 0.000) 0.361 9.588 ( 0.000 -0.173 0.000) 0.173 9.600 ( 0.000 -0.162 0.000) 0.162 11.296 ( 0.000 -0.146 0.000) 0.146 11.321 ( 0.000 -0.563 0.000) 0.563 11.561 ( 0.000 -0.523 0.000) 0.523 11.766 ( 0.000 -0.764 0.000) 0.764 12.097 ( 0.000 -0.318 0.000) 0.318 12.250 ( 0.000 0.008 0.000) 0.008 12.400 ( 0.000 0.807 0.000) 0.807 12.477 ( 0.000 0.039 0.000) 0.039 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -0.387 -0.549 -2.140) 2.243 0.409 ( 4.636 -1.606 1.468) 5.121 0.588 ( -2.577 0.867 0.643) 2.794 0.723 ( 1.193 1.037 -0.941) 1.840 0.746 ( 1.269 0.310 1.305) 1.847 0.840 ( 1.168 3.054 1.457) 3.580 0.890 ( 0.380 -0.930 1.369) 1.697 0.942 ( -0.214 2.036 2.271) 3.057 0.970 ( 0.274 2.361 1.060) 2.603 1.015 ( 1.006 0.418 1.946) 2.230 1.056 ( 1.168 0.626 1.042) 1.686 1.154 ( -0.914 -2.619 0.433) 2.808 1.245 ( 2.931 -0.259 -2.605) 3.930 1.295 ( -2.416 1.327 -0.695) 2.843 1.406 ( -1.346 1.142 1.971) 2.646 1.480 ( -5.534 7.035 0.871) 8.993 1.518 ( -0.633 -0.117 -0.617) 0.891 1.625 ( -1.677 -2.227 0.885) 2.925 1.740 ( -4.708 -3.047 -1.181) 5.731 1.803 ( -0.349 0.306 -1.599) 1.665 1.859 ( 0.318 2.037 6.001) 6.346 1.920 ( 1.641 3.673 3.495) 5.329 1.980 ( 1.304 0.745 -0.180) 1.512 2.081 ( -1.146 -0.237 0.223) 1.191 2.102 ( 0.602 2.182 0.672) 2.361 2.151 ( 1.512 -0.080 0.249) 1.534 2.246 ( 4.510 -5.575 0.494) 7.188 2.335 ( -0.156 1.622 -0.676) 1.764 2.378 ( 0.040 -1.109 0.275) 1.144 2.435 ( 1.038 -3.308 0.078) 3.468 2.566 ( 1.187 1.934 1.637) 2.798 2.610 ( -2.800 -1.238 -1.386) 3.361 2.778 ( 0.472 0.355 0.213) 0.628 2.806 ( 0.690 -0.105 -0.917) 1.152 2.894 ( 0.703 -0.042 -2.500) 2.597 3.012 ( -2.384 2.431 -0.656) 3.468 3.069 ( -3.870 -1.323 -2.167) 4.628 3.181 ( -1.197 0.324 -0.076) 1.243 3.342 ( 2.331 2.536 0.473) 3.477 3.388 ( 2.409 -0.815 -4.935) 5.552 3.548 ( 0.560 1.067 -3.317) 3.529 3.576 ( 0.702 -1.381 -2.577) 3.006 3.839 ( -1.388 -0.499 -1.044) 1.807 3.877 ( 2.529 0.622 0.937) 2.768 4.015 ( 0.921 1.041 1.510) 2.053 4.084 ( -1.199 0.969 -0.538) 1.633 4.147 ( 1.457 -0.096 5.027) 5.235 4.222 ( -1.345 -0.335 -0.331) 1.425 4.608 ( 1.096 1.522 0.750) 2.020 4.629 ( 0.163 1.162 -0.924) 1.494 4.922 ( 1.795 -0.938 0.935) 2.231 5.054 ( 0.366 -0.565 -0.408) 0.787 5.441 ( 4.173 0.012 3.729) 5.596 5.590 ( -2.138 -0.264 -1.567) 2.664 6.004 ( -1.836 3.753 0.284) 4.188 6.068 ( -1.437 -1.078 -0.246) 1.813 6.128 ( -1.093 0.452 -0.865) 1.465 6.280 ( 1.117 1.165 -1.618) 2.285 6.414 ( 1.375 1.322 0.755) 2.052 6.528 ( -0.974 -0.294 0.343) 1.074 6.576 ( -0.699 -4.678 -0.297) 4.739 6.686 ( -0.944 -0.938 -0.336) 1.373 6.776 ( 0.130 -0.176 -0.671) 0.705 6.799 ( 0.362 -2.184 -0.887) 2.385 7.131 ( -1.411 -0.260 0.189) 1.448 7.160 ( -1.288 -0.366 1.141) 1.759 7.369 ( 1.340 -0.355 0.756) 1.579 7.445 ( 0.536 -0.464 -0.924) 1.165 7.745 ( -1.564 0.560 0.187) 1.672 7.798 ( -1.292 -0.088 0.123) 1.301 8.022 ( 1.293 0.006 1.898) 2.297 8.127 ( -1.999 -0.517 -2.145) 2.977 8.292 ( -0.620 0.196 0.442) 0.786 8.302 ( -0.344 -0.561 0.755) 1.002 9.598 ( 1.111 -0.099 -0.016) 1.116 9.615 ( 1.451 -0.211 0.087) 1.469 11.296 ( -0.142 0.194 0.033) 0.243 11.310 ( -0.511 -0.956 -0.501) 1.194 11.596 ( 1.603 -0.676 2.871) 3.357 11.737 ( -1.910 -0.739 -2.026) 2.881 12.097 ( 0.107 -0.346 -0.170) 0.400 12.253 ( 0.215 0.010 0.198) 0.293 12.414 ( 0.887 0.901 0.792) 1.492 12.461 ( -0.739 0.027 -1.199) 1.409 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 3.962 -0.753 -2.867) 4.948 0.507 ( 3.223 1.322 1.769) 3.907 0.575 ( -0.881 -1.921 2.701) 3.429 0.737 ( 1.454 2.338 -0.840) 2.879 0.789 ( 1.646 -1.359 0.838) 2.293 0.830 ( -1.846 1.242 -1.513) 2.691 0.910 ( -1.580 2.053 1.511) 2.999 0.942 ( -0.008 -0.498 0.853) 0.988 1.009 ( 2.516 1.836 0.929) 3.250 1.068 ( 1.069 -1.909 2.022) 2.979 1.106 ( 1.846 3.332 3.203) 4.977 1.156 ( -0.292 0.332 0.109) 0.456 1.221 ( -2.922 -0.424 0.877) 3.080 1.277 ( 1.275 -1.871 -1.222) 2.573 1.352 ( -4.145 5.501 -0.602) 6.914 1.458 ( -2.034 -0.733 2.349) 3.192 1.504 ( -0.573 -0.277 0.049) 0.638 1.552 ( -4.293 -4.456 -1.505) 6.368 1.698 ( -1.655 2.149 1.716) 3.210 1.757 ( -0.991 -2.359 0.914) 2.717 1.951 ( -0.469 0.438 2.003) 2.103 1.983 ( 0.946 3.511 4.303) 5.633 2.020 ( -1.010 0.245 4.477) 4.596 2.055 ( -0.542 -1.790 3.444) 3.919 2.130 ( 1.189 2.882 1.090) 3.303 2.195 ( 2.045 1.252 1.815) 3.007 2.299 ( 2.395 0.218 -1.105) 2.646 2.350 ( 0.967 -1.458 0.634) 1.861 2.401 ( 3.986 -0.560 -0.079) 4.026 2.483 ( 1.686 -2.572 1.976) 3.656 2.534 ( -2.084 -0.731 -0.183) 2.216 2.620 ( 0.790 0.301 0.900) 1.235 2.766 ( -0.667 2.459 -3.225) 4.110 2.794 ( 1.078 -0.256 -2.261) 2.517 2.850 ( -1.621 0.949 -3.079) 3.607 2.968 ( -0.342 0.772 -1.456) 1.683 3.014 ( -1.653 -2.141 -0.234) 2.715 3.133 ( -2.281 -0.259 -2.001) 3.045 3.299 ( -0.410 1.225 -8.019) 8.123 3.390 ( -0.332 -0.411 -5.436) 5.462 3.515 ( 1.327 0.958 -0.754) 1.802 3.547 ( 0.029 -1.722 -3.583) 3.975 3.848 ( 2.562 0.938 1.105) 2.943 3.952 ( 2.594 1.050 2.325) 3.638 4.027 ( -1.132 3.033 -0.680) 3.308 4.066 ( 0.558 -0.523 1.402) 1.597 4.200 ( -0.719 0.057 1.476) 1.643 4.237 ( 0.880 -0.615 4.171) 4.307 4.613 ( 0.349 1.673 -1.182) 2.078 4.651 ( 1.513 1.047 1.064) 2.125 4.960 ( 1.369 -0.875 0.575) 1.723 5.061 ( 1.043 -0.313 -0.438) 1.174 5.536 ( 0.325 0.939 -0.956) 1.379 5.572 ( 3.361 -0.774 2.931) 4.526 5.951 ( -3.890 3.578 -0.507) 5.309 6.035 ( -2.387 -2.983 0.260) 3.829 6.099 ( -0.637 0.557 -1.204) 1.472 6.283 ( 1.187 0.927 -1.206) 1.929 6.444 ( 1.574 3.541 -0.409) 3.897 6.506 ( -1.979 -0.389 0.278) 2.036 6.561 ( -0.691 -4.336 0.112) 4.392 6.665 ( -0.780 -1.477 -0.181) 1.680 6.776 ( 0.674 -0.166 -0.316) 0.763 6.805 ( 1.165 -2.123 -0.607) 2.496 7.103 ( -2.026 -0.407 0.179) 2.074 7.158 ( -1.052 -0.287 2.125) 2.389 7.403 ( 1.476 0.007 0.665) 1.619 7.437 ( 0.049 -0.583 -1.293) 1.419 7.718 ( -1.635 0.384 0.221) 1.694 7.769 ( -2.039 -0.808 -0.159) 2.199 8.057 ( -1.675 0.400 -1.616) 2.361 8.072 ( 0.434 -0.557 1.499) 1.657 8.283 ( -0.993 -0.186 0.276) 1.047 8.306 ( -0.464 -0.379 0.932) 1.108 9.623 ( 1.701 -0.063 0.006) 1.702 9.642 ( 1.568 -0.191 -0.110) 1.583 11.284 ( -0.563 -0.317 -0.512) 0.825 11.311 ( 0.234 -0.452 0.738) 0.897 11.657 ( -0.675 -0.275 -0.047) 0.730 11.668 ( -0.652 -1.317 0.075) 1.471 12.096 ( 0.104 -0.405 -0.205) 0.466 12.257 ( -0.094 0.047 0.165) 0.196 12.426 ( -0.161 1.167 -1.207) 1.687 12.452 ( 0.942 -0.262 0.896) 1.326 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 5.327 -0.154 -2.979) 6.105 0.550 ( -1.067 1.863 3.750) 4.321 0.612 ( 2.386 -2.405 -0.213) 3.394 0.718 ( -2.966 0.530 -1.230) 3.255 0.782 ( 0.497 2.757 -1.064) 2.997 0.822 ( 0.106 -0.475 0.168) 0.515 0.893 ( -0.579 0.896 0.356) 1.125 0.945 ( -0.557 -2.459 0.164) 2.526 1.058 ( 0.695 1.907 0.901) 2.221 1.086 ( -0.740 1.145 -0.568) 1.477 1.132 ( 2.144 0.677 -0.195) 2.257 1.181 ( 1.106 -0.012 2.414) 2.655 1.214 ( -2.884 -0.066 0.996) 3.052 1.249 ( -1.021 -3.510 1.759) 4.057 1.333 ( 0.445 1.248 -0.719) 1.508 1.390 ( -3.406 -3.569 -1.029) 5.040 1.492 ( -0.717 0.814 1.019) 1.488 1.543 ( 0.666 0.704 0.629) 1.156 1.690 ( -0.483 3.204 0.613) 3.298 1.791 ( 0.741 -1.749 3.305) 3.813 1.926 ( -2.825 1.462 -1.609) 3.565 1.971 ( -0.837 -1.431 1.503) 2.238 2.080 ( 0.165 1.142 2.974) 3.190 2.125 ( -0.028 -2.194 5.591) 6.006 2.160 ( 0.298 1.875 1.400) 2.359 2.276 ( 2.150 0.114 5.395) 5.809 2.329 ( 2.564 2.276 -1.000) 3.571 2.391 ( 1.831 -1.268 2.740) 3.531 2.448 ( 0.741 2.079 0.027) 2.207 2.510 ( -0.200 -2.761 0.062) 2.769 2.547 ( 2.911 -0.988 0.563) 3.125 2.628 ( -1.281 0.728 2.396) 2.813 2.695 ( -1.469 -1.046 -4.885) 5.207 2.774 ( -0.274 1.165 -3.522) 3.720 2.818 ( 1.616 2.888 -1.597) 3.674 2.962 ( 1.115 1.227 -1.134) 2.009 2.993 ( -0.265 -1.490 -0.139) 1.520 3.086 ( -0.802 -2.166 -1.652) 2.839 3.190 ( -1.587 0.924 -5.590) 5.884 3.255 ( -4.182 -0.895 -7.584) 8.707 3.463 ( -2.262 -1.641 -4.283) 5.114 3.596 ( 3.163 0.413 2.659) 4.153 3.909 ( 1.399 3.021 0.246) 3.338 3.959 ( -0.254 -0.934 -0.333) 1.024 4.052 ( 2.330 3.803 1.528) 4.714 4.098 ( 0.391 0.113 1.427) 1.484 4.205 ( -0.511 -0.462 1.368) 1.532 4.285 ( 0.189 0.072 2.279) 2.288 4.609 ( 0.475 1.546 -0.781) 1.796 4.682 ( 0.846 1.351 0.678) 1.733 4.981 ( 0.666 -0.817 0.180) 1.069 5.076 ( 0.979 -0.125 -0.134) 0.996 5.546 ( 2.648 0.688 -1.071) 2.938 5.632 ( 0.316 -0.299 0.981) 1.073 5.879 ( -3.561 1.692 -0.461) 3.970 6.002 ( -2.026 -2.277 0.991) 3.205 6.083 ( 0.265 0.097 -0.984) 1.024 6.291 ( 0.760 0.312 -0.261) 0.862 6.454 ( 0.965 3.123 -1.441) 3.572 6.476 ( -1.649 1.367 0.336) 2.168 6.560 ( -0.064 -3.432 0.593) 3.484 6.658 ( -0.210 -2.164 0.180) 2.182 6.788 ( 0.779 -0.478 0.093) 0.918 6.816 ( 0.600 -1.316 -0.293) 1.475 7.072 ( -1.519 -0.805 0.008) 1.719 7.173 ( -0.256 -0.201 1.979) 2.006 7.414 ( -0.277 0.201 -1.038) 1.093 7.436 ( 0.900 -0.564 0.323) 1.110 7.701 ( -0.662 -0.104 0.189) 0.696 7.731 ( -1.815 -1.112 -0.415) 2.168 8.008 ( -1.080 0.533 -1.250) 1.735 8.104 ( 0.340 -0.308 1.453) 1.524 8.268 ( -0.803 -0.344 -0.029) 0.874 8.307 ( -0.431 -0.388 0.551) 0.800 9.650 ( 1.278 -0.028 0.016) 1.278 9.661 ( 0.839 -0.166 -0.211) 0.881 11.273 ( -0.271 -0.547 -0.220) 0.649 11.329 ( 0.465 -0.129 1.053) 1.158 11.579 ( -2.313 -0.549 -2.806) 3.678 11.714 ( 0.798 -1.126 1.990) 2.421 12.095 ( 0.043 -0.454 -0.125) 0.473 12.253 ( -0.424 0.126 -0.058) 0.446 12.413 ( 0.190 0.655 -0.783) 1.038 12.480 ( 0.816 0.031 0.829) 1.164 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 0.110 -0.000) 0.110 0.564 ( -0.000 1.079 0.000) 1.079 0.633 ( 0.000 -0.710 0.000) 0.710 0.674 ( 0.000 -1.876 0.000) 1.876 0.784 ( -0.000 5.045 0.000) 5.045 0.818 ( 0.000 0.009 0.000) 0.009 0.896 ( 0.000 -1.122 0.000) 1.122 0.940 ( -0.000 -3.715 0.000) 3.715 1.050 ( 0.000 2.967 0.000) 2.967 1.075 ( -0.000 0.703 -0.000) 0.703 1.174 ( 0.000 0.142 0.000) 0.142 1.183 ( -0.000 -1.704 0.000) 1.704 1.214 ( 0.000 -1.265 0.000) 1.265 1.264 ( 0.000 -2.320 0.000) 2.320 1.286 ( 0.000 -0.654 -0.000) 0.654 1.388 ( 0.000 -0.016 0.000) 0.016 1.495 ( 0.000 0.510 0.000) 0.510 1.549 ( 0.000 0.413 0.000) 0.413 1.691 ( 0.000 4.109 0.000) 4.109 1.831 ( 0.000 -0.356 0.000) 0.356 1.875 ( -0.000 0.225 -0.000) 0.225 1.976 ( 0.000 -1.886 0.000) 1.886 2.098 ( 0.000 1.841 0.000) 1.841 2.155 ( 0.000 -1.599 0.000) 1.599 2.173 ( 0.000 0.001 -0.000) 0.001 2.322 ( 0.000 -0.947 0.000) 0.947 2.362 ( 0.000 3.105 -0.000) 3.105 2.439 ( 0.000 1.585 0.000) 1.585 2.470 ( 0.000 0.261 0.000) 0.261 2.496 ( 0.000 -3.458 -0.000) 3.458 2.549 ( 0.000 0.061 0.000) 0.061 2.644 ( 0.000 0.529 0.000) 0.529 2.674 ( 0.000 -2.481 -0.000) 2.481 2.725 ( 0.000 0.127 0.000) 0.127 2.828 ( 0.000 5.118 0.000) 5.118 2.961 ( 0.000 0.851 0.000) 0.851 3.014 ( -0.000 1.109 0.000) 1.109 3.056 ( 0.000 -0.970 -0.000) 0.970 3.143 ( -0.000 -3.267 0.000) 3.267 3.158 ( 0.000 -0.594 -0.000) 0.594 3.407 ( 0.000 -1.969 0.000) 1.969 3.646 ( 0.000 0.783 0.000) 0.783 3.900 ( 0.000 2.788 0.000) 2.788 3.973 ( 0.000 -0.889 -0.000) 0.889 4.094 ( -0.000 2.159 -0.000) 2.159 4.100 ( 0.000 2.293 0.000) 2.293 4.210 ( 0.000 -0.457 0.000) 0.457 4.299 ( 0.000 0.134 0.000) 0.134 4.609 ( 0.000 1.535 0.000) 1.535 4.693 ( 0.000 1.433 0.000) 1.433 4.987 ( 0.000 -0.766 0.000) 0.766 5.085 ( 0.000 -0.055 0.000) 0.055 5.572 ( 0.000 1.166 0.000) 1.166 5.633 ( 0.000 -0.267 -0.000) 0.267 5.840 ( 0.000 -0.323 0.000) 0.323 5.992 ( 0.000 -1.382 0.000) 1.382 6.081 ( 0.000 0.225 -0.000) 0.225 6.297 ( 0.000 -0.160 0.000) 0.160 6.451 ( 0.000 1.121 0.000) 1.121 6.465 ( 0.000 3.717 0.000) 3.717 6.565 ( 0.000 -2.914 0.000) 2.914 6.658 ( 0.000 -2.288 0.000) 2.288 6.797 ( 0.000 -0.897 0.000) 0.897 6.819 ( 0.000 -0.671 0.000) 0.671 7.058 ( 0.000 -1.012 0.000) 1.012 7.184 ( 0.000 -0.190 0.000) 0.190 7.403 ( 0.000 0.139 0.000) 0.139 7.447 ( 0.000 -0.465 0.000) 0.465 7.699 ( 0.000 -0.785 0.000) 0.785 7.709 ( -0.000 -0.649 0.000) 0.649 7.992 ( 0.000 0.654 0.000) 0.654 8.115 ( 0.000 -0.296 0.000) 0.296 8.260 ( 0.000 -0.376 0.000) 0.376 8.306 ( 0.000 -0.453 0.000) 0.453 9.661 ( 0.000 0.003 0.000) 0.003 9.667 ( -0.000 -0.171 0.000) 0.171 11.269 ( 0.000 -0.583 0.000) 0.583 11.341 ( 0.000 -0.014 0.000) 0.014 11.538 ( 0.000 -0.581 0.000) 0.581 11.733 ( 0.000 -1.140 0.000) 1.140 12.095 ( 0.000 -0.473 0.000) 0.473 12.248 ( 0.000 0.156 0.000) 0.156 12.411 ( 0.000 0.549 0.000) 0.549 12.493 ( 0.000 0.024 0.000) 0.024 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 1.514 0.000 11.681) 11.779 0.256 ( 3.381 0.000 13.023) 13.455 0.514 ( 2.057 0.000 7.685) 7.955 0.578 ( 0.574 0.000 1.708) 1.802 0.657 ( -1.259 0.000 7.410) 7.516 0.761 ( -1.695 0.000 6.520) 6.736 0.764 ( 1.251 0.000 -2.524) 2.817 0.793 ( -1.383 0.000 0.085) 1.386 0.854 ( 1.692 0.000 7.126) 7.324 0.921 ( -0.478 0.000 1.138) 1.235 0.921 ( -2.851 0.000 -2.407) 3.731 1.043 ( 2.546 0.000 3.429) 4.271 1.056 ( -0.854 0.000 2.642) 2.777 1.192 ( -0.820 0.000 0.125) 0.829 1.238 ( -2.291 0.000 0.082) 2.293 1.404 ( 0.710 0.000 -0.843) 1.102 1.482 ( -1.307 0.000 -2.086) 2.462 1.604 ( 2.071 0.000 -2.259) 3.064 1.658 ( 3.169 0.000 2.922) 4.311 1.777 ( -0.124 0.000 1.083) 1.090 1.888 ( 0.946 0.000 1.323) 1.626 1.975 ( -2.785 0.000 3.721) 4.647 2.050 ( -1.377 0.000 1.196) 1.824 2.057 ( 2.305 0.000 1.598) 2.805 2.181 ( -1.295 0.000 1.244) 1.795 2.233 ( 1.108 0.000 0.463) 1.201 2.248 ( 0.381 0.000 0.235) 0.448 2.394 ( -1.145 0.000 -3.393) 3.581 2.469 ( -2.585 0.000 0.685) 2.674 2.525 ( -1.764 0.000 -3.139) 3.601 2.567 ( 3.450 0.000 -1.805) 3.894 2.592 ( 0.092 0.000 0.804) 0.809 2.665 ( 0.220 0.000 0.324) 0.392 2.831 ( 3.822 0.000 -4.623) 5.998 2.859 ( -2.550 0.000 0.417) 2.584 2.981 ( 0.826 0.000 -0.777) 1.134 3.049 ( -5.583 0.000 0.050) 5.583 3.115 ( -0.181 0.000 0.200) 0.270 3.225 ( 4.606 0.000 5.127) 6.892 3.389 ( 2.660 0.000 -7.070) 7.554 3.415 ( -0.454 0.000 -8.929) 8.941 3.551 ( -1.162 0.000 -4.848) 4.986 3.829 ( 0.405 0.000 0.547) 0.681 3.870 ( -1.391 0.000 1.655) 2.162 3.971 ( 1.826 0.000 -1.548) 2.394 3.987 ( -1.516 0.000 -0.977) 1.804 4.197 ( -0.395 0.000 5.094) 5.109 4.264 ( -0.071 0.000 2.608) 2.609 4.534 ( -0.561 0.000 1.164) 1.293 4.542 ( 0.767 0.000 0.790) 1.101 4.998 ( -0.708 0.000 0.830) 1.091 5.111 ( 1.193 0.000 -2.399) 2.679 5.504 ( 2.550 0.000 0.601) 2.619 5.544 ( -0.497 0.000 -0.018) 0.497 5.816 ( 1.888 0.000 1.337) 2.314 5.863 ( -1.880 0.000 3.675) 4.128 6.028 ( -2.851 0.000 -2.782) 3.983 6.127 ( 1.980 0.000 -2.546) 3.225 6.560 ( -6.933 0.000 0.848) 6.985 6.589 ( 1.293 0.000 0.208) 1.309 6.781 ( 1.139 0.000 -0.537) 1.259 6.807 ( -1.198 0.000 -1.149) 1.661 6.910 ( -1.224 0.000 0.369) 1.278 6.954 ( 1.426 0.000 -0.693) 1.586 7.147 ( 0.160 0.000 1.797) 1.804 7.248 ( -1.910 0.000 -0.483) 1.970 7.451 ( 0.185 0.000 0.121) 0.221 7.456 ( 0.451 0.000 -0.109) 0.464 7.727 ( -0.563 0.000 -0.603) 0.825 7.736 ( 0.291 0.000 -0.526) 0.601 8.042 ( 3.852 0.000 2.623) 4.661 8.200 ( -1.886 0.000 -1.171) 2.220 8.302 ( 0.417 0.000 0.626) 0.752 8.381 ( 2.647 0.000 -1.029) 2.840 9.590 ( 0.305 0.000 0.256) 0.398 9.607 ( -1.024 0.000 -0.153) 1.036 11.302 ( -0.139 0.000 0.712) 0.726 11.367 ( 2.053 0.000 -0.901) 2.242 11.697 ( 7.006 0.000 1.374) 7.139 11.798 ( -1.602 0.000 -1.132) 1.961 12.211 ( 0.184 0.000 0.197) 0.270 12.252 ( -1.053 0.000 -1.221) 1.613 12.339 ( -11.390 0.000 1.754) 11.524 12.424 ( 1.440 0.000 -0.715) 1.608 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 4.282 0.000 7.310) 8.472 0.444 ( 0.514 0.000 6.387) 6.408 0.566 ( 1.434 0.000 0.497) 1.517 0.596 ( -0.172 0.000 -0.340) 0.381 0.677 ( 3.035 0.000 -0.493) 3.075 0.754 ( 1.559 0.000 -3.588) 3.912 0.778 ( 0.436 0.000 1.483) 1.546 0.863 ( 3.995 0.000 1.474) 4.258 0.879 ( 1.016 0.000 -0.930) 1.377 0.914 ( 2.805 0.000 -0.858) 2.933 1.038 ( -0.079 0.000 6.850) 6.850 1.128 ( 2.138 0.000 3.158) 3.814 1.157 ( 0.649 0.000 7.289) 7.318 1.209 ( 3.313 0.000 -0.491) 3.349 1.264 ( 6.042 0.000 8.211) 10.195 1.397 ( -0.987 0.000 0.078) 0.990 1.424 ( -1.340 0.000 -2.511) 2.846 1.601 ( 0.792 0.000 -2.692) 2.806 1.728 ( 1.351 0.000 3.988) 4.211 1.784 ( 0.348 0.000 -0.518) 0.624 1.935 ( -4.137 0.000 0.051) 4.137 1.939 ( 1.970 0.000 2.991) 3.582 2.021 ( -2.352 0.000 0.423) 2.389 2.091 ( -0.993 0.000 2.810) 2.981 2.209 ( 0.006 0.000 5.214) 5.214 2.223 ( -2.248 0.000 -4.335) 4.884 2.253 ( -0.648 0.000 0.884) 1.096 2.384 ( 2.578 0.000 2.283) 3.444 2.410 ( -3.023 0.000 1.147) 3.233 2.492 ( 0.864 0.000 -0.716) 1.122 2.590 ( -1.952 0.000 0.388) 1.990 2.603 ( 3.083 0.000 -3.224) 4.460 2.682 ( 1.617 0.000 -1.276) 2.060 2.763 ( -2.385 0.000 -3.853) 4.532 2.819 ( 0.316 0.000 -5.175) 5.185 2.979 ( -0.598 0.000 -0.181) 0.625 3.018 ( -0.975 0.000 3.610) 3.739 3.131 ( 1.058 0.000 0.603) 1.218 3.263 ( -3.159 0.000 -10.493) 10.958 3.324 ( 1.939 0.000 -3.131) 3.683 3.410 ( 5.844 0.000 1.729) 6.095 3.489 ( 1.588 0.000 -5.953) 6.161 3.831 ( -1.821 0.000 1.754) 2.528 3.839 ( -2.209 0.000 -0.369) 2.239 3.950 ( -1.203 0.000 -0.944) 1.530 3.992 ( 0.886 0.000 -0.292) 0.932 4.242 ( -0.899 0.000 4.576) 4.664 4.285 ( -0.469 0.000 1.593) 1.661 4.539 ( -0.211 0.000 0.425) 0.474 4.574 ( 1.538 0.000 0.993) 1.831 4.999 ( -0.145 0.000 0.871) 0.883 5.098 ( 0.485 0.000 -1.901) 1.962 5.517 ( -1.594 0.000 -0.425) 1.650 5.549 ( 1.592 0.000 0.847) 1.803 5.883 ( -1.914 0.000 3.920) 4.363 5.914 ( 5.584 0.000 1.931) 5.909 5.947 ( -0.010 0.000 -5.195) 5.195 6.147 ( 3.626 0.000 -1.811) 4.053 6.497 ( -3.497 0.000 2.137) 4.099 6.611 ( 0.170 0.000 1.144) 1.157 6.750 ( -3.418 0.000 -1.781) 3.854 6.792 ( 0.639 0.000 -0.286) 0.700 6.874 ( -2.621 0.000 -0.127) 2.624 6.964 ( 0.150 0.000 -0.331) 0.364 7.175 ( 0.049 0.000 2.707) 2.707 7.213 ( -1.519 0.000 -0.364) 1.562 7.447 ( -1.212 0.000 -0.226) 1.233 7.456 ( 0.216 0.000 0.099) 0.237 7.722 ( 1.151 0.000 -0.357) 1.205 7.745 ( 1.222 0.000 -0.329) 1.266 8.112 ( 0.786 0.000 3.449) 3.537 8.117 ( -4.461 0.000 -3.141) 5.456 8.319 ( 0.247 0.000 1.124) 1.151 8.367 ( -1.023 0.000 -1.435) 1.763 9.613 ( 1.658 0.000 0.471) 1.723 9.615 ( 1.539 0.000 -0.819) 1.743 11.310 ( -0.010 0.000 0.868) 0.868 11.363 ( -0.086 0.000 -1.682) 1.685 11.736 ( -2.820 0.000 -2.735) 3.929 11.795 ( 3.388 0.000 0.850) 3.493 12.178 ( -4.311 0.000 2.221) 4.850 12.217 ( 0.083 0.000 0.313) 0.324 12.305 ( 0.002 0.000 1.430) 1.430 12.449 ( 1.822 0.000 0.312) 1.848 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -3.965 0.000 0.028) 3.965 0.460 ( -2.318 0.000 -1.691) 2.870 0.625 ( 0.358 0.000 0.948) 1.014 0.626 ( 0.729 0.000 3.334) 3.412 0.705 ( 2.600 0.000 0.068) 2.601 0.754 ( 3.719 0.000 -2.762) 4.633 0.845 ( 3.188 0.000 1.942) 3.733 0.918 ( 3.335 0.000 -1.421) 3.625 0.926 ( 4.140 0.000 1.063) 4.274 1.009 ( 4.850 0.000 1.474) 5.069 1.101 ( 2.980 0.000 1.814) 3.489 1.170 ( -0.810 0.000 1.945) 2.106 1.176 ( 1.918 0.000 -0.329) 1.946 1.282 ( 4.024 0.000 0.286) 4.034 1.319 ( -3.285 0.000 -0.978) 3.428 1.378 ( -1.288 0.000 0.463) 1.369 1.531 ( 6.384 0.000 1.713) 6.610 1.569 ( 0.116 0.000 -3.485) 3.487 1.773 ( -0.359 0.000 -1.195) 1.248 1.814 ( 2.509 0.000 4.795) 5.412 1.868 ( -1.745 0.000 -1.591) 2.362 1.990 ( -1.282 0.000 -0.780) 1.501 1.997 ( 1.286 0.000 0.672) 1.451 2.122 ( -2.735 0.000 -3.624) 4.540 2.134 ( 0.427 0.000 5.788) 5.804 2.189 ( -3.874 0.000 1.035) 4.009 2.336 ( 1.367 0.000 9.521) 9.619 2.406 ( -1.136 0.000 -3.327) 3.516 2.424 ( 1.604 0.000 1.640) 2.294 2.514 ( 0.440 0.000 -1.832) 1.885 2.577 ( -1.190 0.000 5.167) 5.302 2.598 ( 1.746 0.000 -3.626) 4.025 2.690 ( 1.294 0.000 -0.495) 1.385 2.724 ( 3.334 0.000 -3.258) 4.661 2.783 ( 0.230 0.000 -0.279) 0.361 2.952 ( -2.765 0.000 0.289) 2.780 3.057 ( -0.178 0.000 3.644) 3.649 3.061 ( -3.855 0.000 -10.206) 10.910 3.164 ( -1.006 0.000 1.012) 1.427 3.293 ( 0.102 0.000 -3.084) 3.085 3.489 ( 5.949 0.000 -4.390) 7.394 3.536 ( 4.274 0.000 3.037) 5.243 3.796 ( -1.751 0.000 -0.953) 1.993 3.807 ( -3.057 0.000 1.539) 3.423 3.932 ( -0.340 0.000 -0.174) 0.382 3.981 ( -2.033 0.000 0.007) 2.033 4.273 ( -0.485 0.000 2.653) 2.697 4.285 ( -0.580 0.000 0.021) 0.581 4.533 ( -0.394 0.000 -0.444) 0.594 4.608 ( 1.433 0.000 0.206) 1.448 5.018 ( 0.858 0.000 1.132) 1.421 5.084 ( 0.149 0.000 -1.384) 1.392 5.491 ( -0.896 0.000 -0.454) 1.005 5.566 ( 0.226 0.000 -0.893) 0.921 5.879 ( -1.287 0.000 2.152) 2.507 5.945 ( 2.974 0.000 -0.839) 3.090 6.010 ( 4.566 0.000 -0.210) 4.571 6.204 ( 4.257 0.000 -0.880) 4.347 6.467 ( -2.577 0.000 1.142) 2.819 6.595 ( -3.845 0.000 -0.172) 3.849 6.685 ( -1.665 0.000 0.793) 1.844 6.795 ( -0.217 0.000 -0.004) 0.217 6.832 ( -2.188 0.000 -0.061) 2.189 6.951 ( -0.913 0.000 -0.517) 1.049 7.186 ( -0.809 0.000 -0.711) 1.077 7.206 ( -0.226 0.000 2.473) 2.484 7.420 ( -1.701 0.000 0.171) 1.710 7.463 ( 0.439 0.000 0.193) 0.479 7.750 ( 2.076 0.000 -0.085) 2.078 7.761 ( 0.929 0.000 -0.408) 1.015 8.001 ( -4.047 0.000 -3.139) 5.122 8.149 ( -0.773 0.000 2.601) 2.713 8.333 ( -0.945 0.000 -1.264) 1.578 8.333 ( 0.042 0.000 0.762) 0.763 9.632 ( 1.525 0.000 -0.694) 1.676 9.650 ( 1.758 0.000 0.534) 1.837 11.322 ( 0.205 0.000 0.826) 0.851 11.342 ( -0.329 0.000 -1.082) 1.131 11.653 ( -2.657 0.000 -2.796) 3.857 11.842 ( 1.178 0.000 0.730) 1.386 12.156 ( -1.524 0.000 1.721) 2.299 12.218 ( -0.333 0.000 0.132) 0.358 12.326 ( 0.737 0.000 0.819) 1.101 12.486 ( 1.468 0.000 0.655) 1.608 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -3.553 0.000 -0.805) 3.643 0.402 ( -0.952 0.000 -2.876) 3.029 0.598 ( -0.646 0.000 -1.805) 1.918 0.647 ( -1.235 0.000 2.046) 2.390 0.771 ( 1.586 0.000 2.672) 3.107 0.805 ( 3.163 0.000 -0.020) 3.163 0.899 ( 1.540 0.000 0.425) 1.597 0.951 ( 3.193 0.000 -2.924) 4.329 1.014 ( 4.299 0.000 0.112) 4.301 1.054 ( 1.094 0.000 -0.880) 1.404 1.149 ( 2.711 0.000 -2.859) 3.940 1.183 ( -0.125 0.000 -2.294) 2.297 1.209 ( 0.207 0.000 2.858) 2.866 1.281 ( -2.340 0.000 3.751) 4.421 1.299 ( -0.279 0.000 -1.005) 1.043 1.385 ( 1.488 0.000 -1.052) 1.822 1.555 ( 2.739 0.000 -2.289) 3.569 1.579 ( 2.777 0.000 -2.963) 4.061 1.748 ( -2.234 0.000 0.843) 2.388 1.857 ( 2.819 0.000 -2.131) 3.533 1.887 ( 2.694 0.000 -0.030) 2.694 1.954 ( -1.569 0.000 -0.886) 1.801 2.000 ( -0.443 0.000 -0.826) 0.937 2.074 ( 0.710 0.000 -1.742) 1.881 2.088 ( -4.414 0.000 -1.143) 4.559 2.236 ( -1.357 0.000 1.553) 2.062 2.335 ( -1.615 0.000 -2.924) 3.340 2.423 ( 2.697 0.000 -0.872) 2.834 2.440 ( -1.718 0.000 -5.356) 5.625 2.459 ( 1.212 0.000 2.088) 2.414 2.625 ( 0.737 0.000 2.079) 2.206 2.632 ( 0.705 0.000 1.966) 2.089 2.711 ( -0.611 0.000 1.048) 1.213 2.779 ( 3.184 0.000 -1.092) 3.366 2.823 ( 1.402 0.000 4.470) 4.685 2.898 ( -2.504 0.000 -4.246) 4.929 2.926 ( -0.853 0.000 3.971) 4.061 3.078 ( -2.048 0.000 3.120) 3.732 3.163 ( -0.668 0.000 1.400) 1.552 3.287 ( 0.206 0.000 2.496) 2.504 3.575 ( 6.898 0.000 -1.202) 7.002 3.604 ( 0.693 0.000 1.462) 1.618 3.766 ( -0.502 0.000 -0.558) 0.751 3.778 ( -1.559 0.000 0.386) 1.606 3.924 ( -0.367 0.000 -0.192) 0.414 3.930 ( -3.765 0.000 0.446) 3.791 4.269 ( -0.233 0.000 -1.493) 1.511 4.279 ( -0.599 0.000 -0.275) 0.659 4.526 ( 0.000 0.000 0.255) 0.255 4.626 ( 0.857 0.000 -0.378) 0.936 5.043 ( 0.542 0.000 0.672) 0.863 5.073 ( 0.259 0.000 -1.052) 1.083 5.473 ( -0.373 0.000 -0.690) 0.784 5.547 ( 0.440 0.000 -2.464) 2.503 5.897 ( -1.313 0.000 3.768) 3.990 6.004 ( 3.154 0.000 1.018) 3.315 6.074 ( 4.129 0.000 -1.258) 4.316 6.242 ( 1.463 0.000 -1.682) 2.229 6.437 ( -1.935 0.000 0.951) 2.156 6.522 ( -3.439 0.000 0.770) 3.525 6.694 ( -0.444 0.000 2.050) 2.097 6.785 ( -0.694 0.000 -0.095) 0.700 6.797 ( -1.658 0.000 -0.283) 1.682 6.925 ( -0.745 0.000 -1.424) 1.607 7.171 ( 0.000 0.000 -0.804) 0.804 7.213 ( -0.891 0.000 0.167) 0.907 7.399 ( -1.168 0.000 0.557) 1.294 7.472 ( 0.301 0.000 -0.100) 0.317 7.765 ( 0.468 0.000 -0.398) 0.614 7.782 ( 1.473 0.000 0.188) 1.485 7.935 ( -1.200 0.000 -0.172) 1.213 8.145 ( -1.612 0.000 0.397) 1.660 8.311 ( -0.174 0.000 -0.835) 0.853 8.336 ( -0.118 0.000 -0.174) 0.210 9.650 ( 1.125 0.000 -0.137) 1.133 9.678 ( 0.808 0.000 0.349) 0.881 11.330 ( 0.055 0.000 -0.529) 0.532 11.333 ( 0.043 0.000 0.536) 0.538 11.600 ( -0.785 0.000 -0.631) 1.007 11.852 ( 0.021 0.000 -0.715) 0.716 12.157 ( -0.885 0.000 1.642) 1.865 12.212 ( -0.310 0.000 0.037) 0.312 12.345 ( 0.508 0.000 0.572) 0.764 12.504 ( 0.534 0.000 -0.536) 0.757 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( -0.134 0.000 -1.524) 1.530 0.366 ( 1.139 0.000 -3.232) 3.427 0.584 ( 0.573 0.000 -1.149) 1.284 0.644 ( -1.142 0.000 0.760) 1.372 0.805 ( -1.279 0.000 2.996) 3.257 0.837 ( 0.197 0.000 0.054) 0.204 0.910 ( -0.586 0.000 0.365) 0.690 0.944 ( 1.349 0.000 -5.605) 5.765 1.046 ( -0.918 0.000 -0.884) 1.274 1.048 ( -0.267 0.000 -1.041) 1.074 1.123 ( 0.210 0.000 -4.929) 4.934 1.136 ( -0.849 0.000 -1.562) 1.778 1.229 ( -2.427 0.000 -0.590) 2.498 1.279 ( 0.220 0.000 3.323) 3.330 1.306 ( 2.489 0.000 -2.328) 3.409 1.372 ( -0.945 0.000 -0.540) 1.088 1.585 ( 1.488 0.000 -1.302) 1.977 1.620 ( 3.876 0.000 0.162) 3.879 1.732 ( -0.930 0.000 2.309) 2.489 1.866 ( -0.287 0.000 -1.483) 1.511 1.901 ( -0.252 0.000 -4.155) 4.163 1.945 ( -3.543 0.000 -2.624) 4.409 1.962 ( 2.709 0.000 1.242) 2.980 2.024 ( 0.020 0.000 -2.090) 2.090 2.094 ( 3.961 0.000 -1.323) 4.176 2.133 ( -4.027 0.000 -5.949) 7.184 2.295 ( 0.732 0.000 -2.999) 3.088 2.388 ( -6.729 0.000 -4.187) 7.925 2.393 ( 1.558 0.000 -1.281) 2.017 2.466 ( -0.199 0.000 -1.182) 1.199 2.642 ( -0.969 0.000 1.148) 1.502 2.647 ( 2.535 0.000 1.969) 3.210 2.708 ( -0.917 0.000 1.182) 1.496 2.782 ( -1.535 0.000 -0.448) 1.599 2.870 ( 1.503 0.000 0.064) 1.504 2.883 ( 1.159 0.000 0.870) 1.449 3.068 ( 4.348 0.000 8.452) 9.505 3.074 ( -2.033 0.000 2.794) 3.455 3.178 ( -0.731 0.000 4.595) 4.653 3.350 ( 0.156 0.000 6.386) 6.388 3.618 ( -0.952 0.000 1.973) 2.191 3.651 ( 1.583 0.000 0.591) 1.689 3.746 ( -1.226 0.000 -1.508) 1.943 3.779 ( 1.521 0.000 0.949) 1.793 3.889 ( -0.754 0.000 0.505) 0.907 3.917 ( 0.014 0.000 -0.563) 0.563 4.243 ( -1.304 0.000 -3.079) 3.343 4.248 ( 0.559 0.000 -2.389) 2.454 4.540 ( 0.247 0.000 1.437) 1.458 4.629 ( 0.089 0.000 -0.665) 0.671 5.044 ( -0.736 0.000 -0.135) 0.749 5.070 ( 0.726 0.000 -0.812) 1.090 5.464 ( 0.323 0.000 -0.682) 0.754 5.531 ( 1.128 0.000 -2.793) 3.012 5.911 ( -2.432 0.000 3.841) 4.546 6.050 ( -0.040 0.000 2.211) 2.211 6.112 ( 1.478 0.000 -1.304) 1.971 6.224 ( 0.370 0.000 -2.843) 2.867 6.438 ( -0.071 0.000 2.170) 2.171 6.513 ( -0.067 0.000 2.202) 2.203 6.697 ( -2.031 0.000 1.740) 2.674 6.777 ( 0.181 0.000 -0.216) 0.282 6.780 ( 0.718 0.000 -0.508) 0.880 6.899 ( 0.580 0.000 -2.576) 2.641 7.165 ( 0.330 0.000 -0.857) 0.919 7.186 ( -0.947 0.000 -1.749) 1.989 7.395 ( -0.281 0.000 0.867) 0.911 7.465 ( -0.250 0.000 -1.040) 1.069 7.780 ( 0.609 0.000 0.917) 1.101 7.799 ( 0.094 0.000 0.427) 0.437 7.949 ( 1.169 0.000 2.343) 2.619 8.111 ( -1.195 0.000 -1.792) 2.154 8.307 ( 0.539 0.000 -0.535) 0.759 8.326 ( -0.269 0.000 -0.981) 1.017 9.665 ( 0.380 0.000 0.431) 0.575 9.683 ( -0.340 0.000 -0.009) 0.340 11.330 ( -0.644 0.000 -0.119) 0.655 11.332 ( 0.547 0.000 -0.090) 0.555 11.619 ( 1.592 0.000 2.402) 2.882 11.827 ( -0.566 0.000 -2.726) 2.784 12.161 ( -0.908 0.000 1.762) 1.982 12.211 ( 0.075 0.000 0.094) 0.121 12.355 ( -0.249 0.000 0.796) 0.834 12.492 ( -0.180 0.000 -1.995) 2.003 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 3.029 0.000 -0.413) 3.057 0.365 ( 2.563 0.000 -3.233) 4.126 0.561 ( -1.525 0.000 -2.728) 3.125 0.623 ( -1.194 0.000 -0.830) 1.454 0.801 ( -2.663 0.000 0.209) 2.671 0.813 ( -2.152 0.000 -0.670) 2.254 0.864 ( -1.949 0.000 -4.571) 4.969 0.882 ( -3.159 0.000 -0.276) 3.171 0.989 ( -3.641 0.000 0.781) 3.724 1.023 ( -2.580 0.000 0.442) 2.618 1.081 ( -2.691 0.000 -1.742) 3.205 1.091 ( 0.912 0.000 -4.035) 4.137 1.173 ( -1.267 0.000 -1.050) 1.645 1.312 ( 2.092 0.000 -2.466) 3.234 1.358 ( 2.843 0.000 3.368) 4.407 1.359 ( -1.140 0.000 0.418) 1.214 1.560 ( -0.271 0.000 -2.564) 2.579 1.607 ( -10.628 0.000 -3.473) 11.181 1.755 ( -3.958 0.000 -2.551) 4.709 1.772 ( 0.568 0.000 2.878) 2.934 1.855 ( 0.578 0.000 0.533) 0.786 1.868 ( 0.836 0.000 -7.303) 7.351 1.993 ( -1.485 0.000 -2.578) 2.975 2.010 ( 1.029 0.000 0.694) 1.241 2.085 ( 4.763 0.000 -1.335) 4.947 2.193 ( 7.165 0.000 1.292) 7.281 2.250 ( -4.010 0.000 -1.017) 4.137 2.284 ( 1.306 0.000 -1.713) 2.154 2.424 ( -1.960 0.000 -2.094) 2.868 2.460 ( 4.834 0.000 2.376) 5.386 2.619 ( -3.081 0.000 0.931) 3.219 2.678 ( -0.570 0.000 -0.244) 0.620 2.737 ( -2.307 0.000 -0.516) 2.364 2.740 ( 0.937 0.000 2.873) 3.022 2.886 ( 0.072 0.000 -1.468) 1.469 2.911 ( 2.327 0.000 0.381) 2.358 3.072 ( -2.120 0.000 2.409) 3.209 3.136 ( 0.324 0.000 -0.650) 0.727 3.310 ( 3.104 0.000 10.684) 11.126 3.395 ( -1.225 0.000 1.157) 1.685 3.601 ( -4.083 0.000 2.749) 4.922 3.662 ( -1.548 0.000 2.812) 3.210 3.738 ( 1.179 0.000 0.030) 1.180 3.793 ( -0.574 0.000 -0.196) 0.606 3.918 ( 1.180 0.000 -0.097) 1.184 3.934 ( 4.200 0.000 0.299) 4.211 4.175 ( -1.545 0.000 -3.761) 4.066 4.233 ( 0.986 0.000 -2.417) 2.610 4.557 ( -0.489 0.000 1.414) 1.496 4.609 ( -1.084 0.000 -1.314) 1.703 5.022 ( -1.368 0.000 -0.162) 1.378 5.079 ( 1.248 0.000 -0.622) 1.394 5.469 ( 0.898 0.000 -0.393) 0.980 5.515 ( 0.939 0.000 -3.137) 3.274 5.901 ( -3.176 0.000 3.060) 4.410 6.071 ( -1.295 0.000 4.115) 4.314 6.083 ( -3.228 0.000 -0.936) 3.361 6.198 ( 0.598 0.000 -3.735) 3.783 6.470 ( -0.108 0.000 2.862) 2.864 6.539 ( 1.046 0.000 -0.511) 1.164 6.699 ( 0.289 0.000 3.336) 3.348 6.785 ( 0.849 0.000 -0.369) 0.926 6.805 ( 2.098 0.000 -0.007) 2.098 6.893 ( 2.622 0.000 -2.740) 3.793 7.151 ( -0.697 0.000 -1.549) 1.699 7.163 ( 0.636 0.000 -0.849) 1.060 7.409 ( 0.596 0.000 1.097) 1.248 7.451 ( 0.122 0.000 -0.930) 0.938 7.788 ( -0.769 0.000 0.540) 0.939 7.793 ( -1.419 0.000 0.306) 1.451 8.024 ( 3.377 0.000 3.467) 4.840 8.068 ( -0.423 0.000 -3.082) 3.111 8.309 ( -0.193 0.000 -1.098) 1.115 8.315 ( 1.067 0.000 -0.620) 1.234 9.667 ( -1.393 0.000 -0.310) 1.427 9.672 ( -0.345 0.000 0.786) 0.859 11.315 ( -0.717 0.000 -0.235) 0.755 11.347 ( 1.159 0.000 0.275) 1.191 11.693 ( 2.476 0.000 3.613) 4.380 11.772 ( -0.774 0.000 -4.786) 4.848 12.168 ( -0.920 0.000 2.078) 2.273 12.215 ( 0.225 0.000 0.096) 0.245 12.357 ( -1.204 0.000 1.730) 2.108 12.458 ( -0.402 0.000 -2.590) 2.621 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( -2.876 0.000 -3.144) 4.262 0.351 ( -5.218 0.000 4.388) 6.817 0.477 ( 1.055 0.000 -5.705) 5.802 0.591 ( -0.957 0.000 -1.383) 1.682 0.706 ( -4.497 0.000 -2.751) 5.272 0.773 ( -1.406 0.000 0.103) 1.410 0.819 ( -3.920 0.000 1.084) 4.067 0.825 ( -2.278 0.000 0.032) 2.279 0.954 ( -1.977 0.000 1.181) 2.303 0.959 ( -4.963 0.000 -1.410) 5.159 1.016 ( -5.961 0.000 0.070) 5.962 1.056 ( -1.640 0.000 -0.833) 1.840 1.116 ( -4.467 0.000 -1.475) 4.704 1.293 ( -3.124 0.000 -0.371) 3.146 1.304 ( -9.376 0.000 0.301) 9.380 1.360 ( 1.480 0.000 0.165) 1.489 1.463 ( 2.655 0.000 1.385) 2.994 1.553 ( 3.764 0.000 -3.732) 5.300 1.667 ( -4.054 0.000 -2.770) 4.910 1.786 ( -0.845 0.000 0.587) 1.029 1.855 ( 2.167 0.000 -2.000) 2.949 1.898 ( 0.825 0.000 3.528) 3.623 1.961 ( 1.542 0.000 -2.262) 2.738 2.025 ( 0.399 0.000 0.427) 0.584 2.182 ( 5.354 0.000 -0.206) 5.358 2.211 ( -0.645 0.000 0.757) 0.995 2.274 ( 1.000 0.000 -1.355) 1.684 2.346 ( 4.456 0.000 3.391) 5.600 2.375 ( -0.839 0.000 -0.980) 1.291 2.557 ( -0.485 0.000 1.400) 1.481 2.595 ( 1.524 0.000 2.882) 3.260 2.662 ( -0.660 0.000 -0.399) 0.771 2.716 ( 0.977 0.000 -0.243) 1.007 2.748 ( -2.388 0.000 0.302) 2.407 2.868 ( 1.143 0.000 -2.613) 2.852 2.952 ( 2.159 0.000 -0.233) 2.171 3.054 ( -2.645 0.000 1.977) 3.302 3.122 ( -0.511 0.000 -0.484) 0.704 3.335 ( -3.645 0.000 -2.993) 4.716 3.453 ( 2.208 0.000 4.977) 5.444 3.546 ( -4.435 0.000 -0.646) 4.482 3.672 ( -2.822 0.000 4.054) 4.939 3.766 ( 2.095 0.000 0.051) 2.096 3.773 ( 1.573 0.000 -3.327) 3.680 3.964 ( 2.090 0.000 2.257) 3.076 3.992 ( 2.527 0.000 -0.984) 2.712 4.126 ( -0.842 0.000 -0.363) 0.917 4.225 ( 0.623 0.000 -1.159) 1.315 4.553 ( -1.423 0.000 0.905) 1.686 4.567 ( -1.549 0.000 -1.528) 2.176 5.003 ( -0.980 0.000 0.502) 1.101 5.093 ( 1.278 0.000 -0.880) 1.552 5.486 ( 1.558 0.000 -0.057) 1.559 5.492 ( 0.447 0.000 -2.591) 2.629 5.887 ( -2.118 0.000 2.709) 3.438 5.983 ( -6.549 0.000 -1.657) 6.756 6.097 ( -1.789 0.000 4.080) 4.455 6.158 ( 0.110 0.000 -3.380) 3.382 6.501 ( -0.351 0.000 3.872) 3.888 6.545 ( 1.936 0.000 -1.856) 2.682 6.773 ( 2.119 0.000 3.596) 4.174 6.793 ( 1.015 0.000 -0.885) 1.346 6.845 ( 2.521 0.000 0.400) 2.552 6.921 ( 3.284 0.000 -1.609) 3.657 7.130 ( -0.374 0.000 -0.498) 0.623 7.169 ( 0.958 0.000 -0.131) 0.967 7.438 ( 1.194 0.000 1.164) 1.668 7.447 ( 0.403 0.000 -0.549) 0.681 7.757 ( -2.431 0.000 -0.818) 2.565 7.771 ( -1.400 0.000 -0.047) 1.401 8.029 ( 0.010 0.000 -3.093) 3.093 8.125 ( 3.717 0.000 2.860) 4.691 8.297 ( 0.044 0.000 -0.640) 0.641 8.322 ( 0.843 0.000 -1.192) 1.460 9.633 ( -1.947 0.000 -0.424) 1.993 9.674 ( -0.525 0.000 0.918) 1.057 11.303 ( -0.490 0.000 0.022) 0.491 11.374 ( 1.551 0.000 -0.120) 1.556 11.693 ( -0.916 0.000 -6.332) 6.398 11.770 ( 1.828 0.000 2.853) 3.388 12.184 ( -0.389 0.000 3.047) 3.072 12.217 ( -0.124 0.000 -0.126) 0.177 12.361 ( -1.717 0.000 3.948) 4.305 12.427 ( 0.172 0.000 -2.190) 2.196 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( -9.166 0.000 4.031) 10.014 0.263 ( -10.147 0.000 8.095) 12.981 0.461 ( -15.888 0.000 11.749) 19.761 0.565 ( -0.332 0.000 0.801) 0.867 0.566 ( -0.555 0.000 -0.007) 0.555 0.767 ( 0.949 0.000 -1.430) 1.716 0.778 ( -0.997 0.000 3.396) 3.540 0.809 ( -1.000 0.000 0.837) 1.304 0.836 ( -4.260 0.000 -1.429) 4.494 0.942 ( -2.285 0.000 0.118) 2.288 0.955 ( -0.180 0.000 2.032) 2.040 1.015 ( -1.894 0.000 -0.650) 2.003 1.071 ( -2.870 0.000 2.192) 3.611 1.229 ( -3.867 0.000 0.577) 3.910 1.267 ( -0.935 0.000 2.567) 2.732 1.390 ( 2.027 0.000 -0.710) 2.148 1.505 ( 1.644 0.000 -1.772) 2.417 1.584 ( 3.706 0.000 -2.736) 4.607 1.590 ( -2.491 0.000 1.167) 2.750 1.775 ( -1.039 0.000 0.776) 1.297 1.863 ( 0.875 0.000 -0.024) 0.875 1.950 ( -0.648 0.000 4.933) 4.976 1.995 ( 3.771 0.000 -0.547) 3.811 2.039 ( 0.685 0.000 0.517) 0.859 2.185 ( -1.099 0.000 0.535) 1.222 2.247 ( 0.704 0.000 -0.588) 0.917 2.249 ( -2.006 0.000 -0.571) 2.086 2.413 ( 4.311 0.000 1.619) 4.605 2.418 ( 1.418 0.000 -0.141) 1.425 2.551 ( 0.429 0.000 -0.189) 0.469 2.623 ( -2.574 0.000 0.348) 2.597 2.638 ( -2.091 0.000 -3.418) 4.007 2.677 ( -3.358 0.000 -0.465) 3.391 2.771 ( 5.265 0.000 -0.700) 5.311 2.874 ( 0.871 0.000 -0.463) 0.986 2.973 ( 1.286 0.000 -0.913) 1.577 3.064 ( 1.301 0.000 3.017) 3.286 3.122 ( 0.068 0.000 0.579) 0.583 3.222 ( -6.097 0.000 -1.454) 6.268 3.451 ( -1.122 0.000 -5.989) 6.093 3.480 ( -0.336 0.000 -2.763) 2.783 3.631 ( -2.416 0.000 -2.636) 3.576 3.804 ( 2.624 0.000 2.834) 3.862 3.804 ( 2.066 0.000 0.023) 2.066 3.998 ( 0.592 0.000 -2.773) 2.835 4.006 ( 0.128 0.000 0.683) 0.695 4.142 ( -0.032 0.000 4.048) 4.049 4.235 ( 0.308 0.000 1.596) 1.625 4.536 ( -0.469 0.000 -0.431) 0.636 4.538 ( -1.382 0.000 1.013) 1.714 4.999 ( -0.619 0.000 0.909) 1.100 5.100 ( 1.232 0.000 -0.983) 1.576 5.477 ( 0.207 0.000 -0.686) 0.717 5.521 ( 2.126 0.000 0.405) 2.164 5.853 ( -5.547 0.000 -1.222) 5.680 5.884 ( -1.731 0.000 0.991) 1.994 6.089 ( -2.929 0.000 1.098) 3.128 6.133 ( 1.022 0.000 -2.800) 2.981 6.564 ( 2.034 0.000 -0.909) 2.228 6.573 ( 2.621 0.000 5.520) 6.111 6.796 ( 0.871 0.000 -2.336) 2.494 6.817 ( 0.415 0.000 0.514) 0.660 6.897 ( 1.645 0.000 1.243) 2.062 6.952 ( 1.976 0.000 -2.081) 2.870 7.129 ( 0.177 0.000 0.677) 0.700 7.209 ( 2.191 0.000 4.353) 4.874 7.449 ( 0.215 0.000 -0.179) 0.280 7.466 ( 0.471 0.000 -0.357) 0.591 7.705 ( -1.565 0.000 0.693) 1.711 7.747 ( -0.897 0.000 -0.416) 0.989 7.993 ( -0.339 0.000 -2.488) 2.511 8.199 ( 1.762 0.000 1.245) 2.157 8.295 ( 0.199 0.000 -0.153) 0.251 8.319 ( 0.239 0.000 0.842) 0.875 9.599 ( -1.325 0.000 -0.169) 1.336 9.668 ( -0.999 0.000 -1.448) 1.759 11.299 ( -0.287 0.000 0.376) 0.473 11.370 ( -0.652 0.000 -2.921) 2.993 11.615 ( -0.581 0.000 -1.642) 1.741 11.811 ( 0.210 0.000 0.999) 1.021 12.211 ( -0.203 0.000 -0.154) 0.255 12.229 ( 1.558 0.000 2.219) 2.712 12.416 ( 0.960 0.000 -1.454) 1.742 12.418 ( 1.343 0.000 6.438) 6.577 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 2.870 3.626 7.840) 9.102 0.465 ( -1.170 6.440 6.086) 8.937 0.520 ( 0.635 4.185 3.531) 5.512 0.616 ( -0.345 2.049 0.362) 2.109 0.680 ( -2.250 2.076 1.880) 3.592 0.744 ( 3.008 1.889 3.537) 5.013 0.806 ( 0.028 2.356 -0.277) 2.372 0.833 ( 0.491 1.350 -2.111) 2.553 0.878 ( -0.894 4.111 1.171) 4.367 0.926 ( 0.355 2.533 5.879) 6.412 0.991 ( -0.779 3.941 4.058) 5.710 1.066 ( -0.646 2.832 2.885) 4.094 1.111 ( 2.556 6.369 2.468) 7.293 1.218 ( -0.441 1.417 -0.577) 1.592 1.257 ( -2.275 2.403 0.505) 3.347 1.387 ( -1.536 -0.603 0.524) 1.731 1.517 ( 0.538 2.108 -1.503) 2.644 1.576 ( 1.669 -2.310 -1.034) 3.031 1.648 ( 0.983 1.141 3.169) 3.508 1.760 ( 0.289 -1.521 0.213) 1.563 1.880 ( 1.350 -0.358 1.854) 2.321 1.961 ( -0.852 -1.170 1.624) 2.175 2.044 ( -1.333 0.013 3.598) 3.837 2.097 ( 1.657 0.593 0.240) 1.776 2.160 ( -1.186 0.060 2.711) 2.960 2.223 ( -0.239 -1.782 -0.743) 1.946 2.271 ( -0.338 0.683 0.169) 0.781 2.351 ( -0.063 -1.669 0.564) 1.763 2.476 ( -0.658 -0.931 -1.784) 2.117 2.519 ( 0.008 -2.545 -0.728) 2.647 2.559 ( 0.600 -0.799 -1.038) 1.441 2.624 ( -1.209 1.467 -1.338) 2.324 2.666 ( 0.180 3.064 -1.205) 3.298 2.811 ( 1.799 -1.530 -3.960) 4.610 2.862 ( -1.193 0.439 -1.543) 1.999 3.028 ( -0.172 1.460 0.334) 1.507 3.059 ( -3.987 2.070 -0.505) 4.520 3.125 ( -0.713 1.126 0.070) 1.335 3.226 ( 4.863 0.373 3.974) 6.292 3.357 ( 1.215 -1.957 -7.298) 7.653 3.441 ( 0.548 1.783 -7.222) 7.459 3.554 ( -0.890 0.362 -4.140) 4.250 3.824 ( 0.968 -0.058 0.211) 0.992 3.895 ( -1.711 1.407 0.170) 2.222 3.971 ( -1.627 0.337 -0.371) 1.702 4.001 ( 1.640 1.376 -0.622) 2.230 4.184 ( -0.341 -0.652 5.112) 5.165 4.263 ( -0.127 -0.284 2.338) 2.359 4.546 ( 0.610 0.604 0.739) 1.133 4.548 ( -0.382 1.294 0.832) 1.585 4.982 ( -0.148 -1.587 0.972) 1.867 5.092 ( 0.538 -1.237 -1.541) 2.048 5.459 ( 2.328 -2.684 2.107) 4.131 5.594 ( -1.424 2.373 -2.293) 3.594 5.877 ( 1.951 2.447 2.101) 3.769 5.932 ( -0.922 6.001 -1.222) 6.193 6.037 ( -1.693 1.960 -2.420) 3.545 6.161 ( 1.208 2.413 -3.584) 4.487 6.507 ( -3.376 -3.494 2.617) 5.518 6.588 ( 1.297 -0.474 0.063) 1.382 6.741 ( 0.398 -3.184 -0.786) 3.304 6.775 ( -1.183 -2.850 -0.753) 3.176 6.891 ( -1.050 -2.023 0.323) 2.302 6.925 ( 0.856 -3.042 -0.562) 3.210 7.159 ( 0.011 0.824 1.383) 1.610 7.219 ( -0.982 -1.748 1.341) 2.412 7.424 ( 0.475 -2.289 0.244) 2.351 7.454 ( -0.397 -0.287 -0.719) 0.870 7.719 ( 0.487 0.796 0.901) 1.297 7.772 ( -0.221 1.545 -1.278) 2.017 8.025 ( 2.688 -0.868 2.868) 4.025 8.190 ( -1.806 -0.970 -1.456) 2.514 8.300 ( 0.200 -0.149 0.612) 0.660 8.349 ( 1.030 -1.669 1.057) 2.227 9.598 ( 0.435 0.082 -0.271) 0.519 9.607 ( -0.652 -0.018 -0.229) 0.691 11.305 ( -0.327 0.012 0.038) 0.329 11.355 ( 0.964 -0.946 -0.469) 1.430 11.652 ( 3.471 -2.521 3.339) 5.437 11.801 ( -1.071 -0.671 -1.965) 2.336 12.163 ( -2.395 -2.680 2.282) 4.257 12.240 ( 0.695 -0.493 -1.097) 1.389 12.342 ( -2.161 1.594 1.866) 3.270 12.456 ( -0.536 0.919 -2.042) 2.302 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -1.110 -1.208 3.688) 4.036 0.518 ( 0.031 -0.861 0.797) 1.174 0.561 ( 2.123 4.513 3.043) 5.843 0.628 ( 1.199 0.715 0.471) 1.474 0.694 ( 0.676 4.535 4.148) 6.183 0.777 ( -1.377 2.118 -1.686) 3.037 0.819 ( 2.199 3.037 -2.763) 4.658 0.845 ( 4.245 0.674 1.709) 4.626 0.911 ( 2.598 2.328 0.694) 3.557 0.956 ( 1.959 1.390 -0.461) 2.445 1.048 ( 0.525 1.596 2.664) 3.150 1.121 ( -0.046 1.670 4.461) 4.763 1.194 ( 0.626 0.551 1.420) 1.647 1.224 ( -0.136 2.275 1.711) 2.850 1.327 ( 7.229 5.477 6.308) 11.048 1.368 ( -0.798 -0.690 1.047) 1.486 1.491 ( -0.470 4.112 -1.540) 4.416 1.579 ( 1.333 -1.602 -2.369) 3.155 1.706 ( 0.899 -0.712 3.852) 4.019 1.781 ( 1.516 0.015 -0.065) 1.518 1.924 ( -1.116 -1.079 2.700) 3.114 1.949 ( -0.313 0.567 0.850) 1.068 2.037 ( -3.036 0.534 2.117) 3.739 2.100 ( -2.093 -0.139 0.950) 2.302 2.181 ( -2.488 -0.664 2.968) 3.929 2.217 ( 0.609 -1.417 3.144) 3.502 2.263 ( -1.166 1.108 -0.860) 1.824 2.380 ( 0.879 -0.122 2.964) 3.094 2.408 ( -0.511 -0.561 -2.216) 2.343 2.512 ( 0.754 0.977 -0.116) 1.239 2.575 ( 1.003 -0.527 -1.575) 1.941 2.617 ( 0.474 -0.069 0.418) 0.635 2.664 ( -0.171 0.324 -1.440) 1.486 2.769 ( 2.115 -0.696 -6.184) 6.572 2.815 ( -1.964 -0.188 -2.548) 3.223 2.973 ( -1.705 0.076 -1.354) 2.178 3.046 ( -0.940 1.640 1.707) 2.548 3.136 ( 0.818 0.741 0.705) 1.309 3.251 ( -2.050 -1.019 -7.658) 7.993 3.328 ( 1.400 0.416 -4.219) 4.465 3.420 ( 4.882 1.075 1.307) 5.167 3.504 ( 1.617 1.146 -5.550) 5.893 3.814 ( -2.434 0.082 -0.198) 2.444 3.878 ( 0.376 1.281 0.386) 1.390 3.945 ( -1.907 0.823 0.474) 2.130 4.018 ( 0.935 1.929 -0.342) 2.171 4.232 ( -0.660 -0.680 4.333) 4.435 4.282 ( -0.248 -0.347 1.623) 1.678 4.543 ( -0.538 0.473 0.127) 0.727 4.582 ( 1.626 0.761 0.962) 2.037 4.994 ( 0.218 -0.548 1.041) 1.197 5.081 ( 0.612 -1.430 -1.759) 2.348 5.514 ( -0.667 -0.396 -0.135) 0.787 5.559 ( 1.746 0.613 0.790) 2.012 5.895 ( -1.778 1.514 1.714) 2.897 5.941 ( -0.400 3.259 -1.234) 3.508 6.009 ( 3.833 4.412 -0.759) 5.894 6.156 ( 2.688 0.854 -2.627) 3.854 6.477 ( -3.024 -1.676 2.046) 4.017 6.603 ( -0.136 -1.092 0.317) 1.145 6.715 ( -2.354 -2.730 -1.173) 3.791 6.758 ( 0.112 -2.918 -0.342) 2.940 6.862 ( -1.992 -1.492 0.140) 2.493 6.933 ( 0.306 -3.058 -0.201) 3.079 7.173 ( -0.824 -0.372 2.107) 2.293 7.207 ( -1.235 -0.426 0.499) 1.398 7.421 ( -0.605 -1.583 -0.063) 1.696 7.458 ( 0.847 -0.606 -0.304) 1.085 7.720 ( -0.368 0.349 -0.120) 0.521 7.771 ( 1.182 1.601 -0.460) 2.043 8.095 ( -0.284 -1.273 1.956) 2.351 8.113 ( -2.634 -0.548 -1.576) 3.118 8.313 ( -0.014 -0.452 1.103) 1.192 8.352 ( -0.582 -1.152 -0.579) 1.415 9.606 ( 1.170 -0.296 -0.009) 1.207 9.621 ( 1.683 0.124 -0.329) 1.720 11.307 ( -0.086 -0.299 0.701) 0.767 11.351 ( -0.045 -1.053 -1.182) 1.584 11.721 ( -1.636 -1.442 -1.152) 2.466 11.763 ( 1.750 -2.482 0.755) 3.129 12.148 ( -1.976 -1.666 1.825) 3.164 12.237 ( 0.248 0.580 -0.712) 0.951 12.335 ( -0.721 2.588 1.192) 2.940 12.450 ( 1.276 -0.005 -0.134) 1.283 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -1.866 -3.121 -1.255) 3.847 0.509 ( -2.707 2.600 1.752) 4.142 0.599 ( 0.130 2.611 -0.141) 2.618 0.665 ( 2.254 -0.298 -0.271) 2.290 0.741 ( 0.334 2.993 -0.449) 3.045 0.778 ( 1.492 1.460 1.653) 2.663 0.838 ( 3.567 0.795 0.386) 3.675 0.912 ( 2.630 0.244 -0.203) 2.649 0.974 ( 2.952 2.491 0.272) 3.872 1.026 ( 4.903 1.844 0.860) 5.309 1.088 ( 2.541 -1.584 0.969) 3.147 1.154 ( -0.445 -0.022 1.876) 1.929 1.182 ( 1.613 0.973 -2.079) 2.806 1.285 ( 1.028 0.290 2.133) 2.385 1.359 ( -0.413 1.817 2.342) 2.992 1.393 ( -2.147 2.704 -0.730) 3.529 1.511 ( 0.955 -1.933 -2.073) 2.990 1.593 ( 2.775 1.259 -1.653) 3.466 1.770 ( -1.932 -1.548 0.971) 2.660 1.790 ( 3.296 0.775 0.935) 3.512 1.909 ( -0.710 0.941 0.906) 1.487 1.974 ( -0.036 -0.605 0.808) 1.010 1.997 ( -1.675 -0.333 -1.858) 2.523 2.073 ( -0.599 -0.286 0.066) 0.667 2.173 ( -1.303 1.831 1.323) 2.608 2.216 ( -2.208 2.092 2.239) 3.777 2.321 ( 1.637 -1.291 7.617) 7.897 2.398 ( 1.373 -1.259 0.308) 1.888 2.439 ( 1.096 0.897 -0.486) 1.498 2.537 ( 1.026 1.110 -0.867) 1.742 2.576 ( -1.426 0.926 3.366) 3.771 2.600 ( 1.601 0.067 -2.684) 3.126 2.666 ( 0.168 -0.670 -0.040) 0.692 2.739 ( 1.456 -0.419 -2.633) 3.038 2.769 ( 0.790 -0.731 -1.689) 2.003 2.947 ( -1.755 -0.482 0.418) 1.867 3.052 ( -1.148 0.100 1.286) 1.727 3.092 ( -2.959 2.365 -6.141) 7.215 3.165 ( -1.326 -0.335 0.211) 1.384 3.286 ( 0.451 -0.399 -2.909) 2.971 3.480 ( 3.921 -0.871 -4.899) 6.335 3.544 ( 4.037 0.583 2.671) 4.876 3.780 ( -0.695 1.300 0.243) 1.494 3.872 ( -2.234 3.028 0.658) 3.820 3.932 ( -0.341 1.068 0.786) 1.369 4.015 ( -1.011 2.652 -0.483) 2.879 4.257 ( -0.566 -1.086 1.742) 2.130 4.292 ( -0.252 0.311 0.683) 0.792 4.532 ( -0.299 0.211 -0.467) 0.593 4.616 ( 1.363 0.723 0.280) 1.568 5.016 ( 0.779 -0.234 1.112) 1.378 5.073 ( 0.584 -0.953 -1.264) 1.687 5.487 ( -0.078 -0.026 -1.467) 1.469 5.599 ( 0.266 2.251 0.401) 2.302 5.880 ( 0.723 -0.778 -0.328) 1.112 5.933 ( -0.458 2.057 1.456) 2.562 6.078 ( 4.014 4.296 -0.793) 5.933 6.192 ( 3.423 -0.936 -0.813) 3.641 6.450 ( -2.489 -1.410 1.214) 3.107 6.568 ( -3.576 -2.467 -0.994) 4.456 6.677 ( -1.244 -0.887 0.964) 1.807 6.755 ( -0.267 -2.874 -0.053) 2.886 6.838 ( -1.383 -0.262 0.436) 1.474 6.927 ( -0.619 -2.475 -0.322) 2.572 7.166 ( -1.174 -1.691 -0.054) 2.059 7.207 ( -0.548 -0.060 1.818) 1.899 7.409 ( -0.611 -0.694 -0.292) 0.969 7.465 ( 0.193 -0.241 0.314) 0.441 7.723 ( 0.972 -1.135 -0.196) 1.508 7.783 ( 0.474 0.711 -0.330) 0.916 8.002 ( -3.486 0.189 -2.778) 4.462 8.142 ( -0.455 -0.656 2.470) 2.596 8.315 ( -0.715 -1.051 -0.180) 1.284 8.337 ( -0.272 -0.236 -0.095) 0.372 9.629 ( 1.604 -0.247 -0.338) 1.658 9.649 ( 1.627 -0.104 0.172) 1.639 11.314 ( -0.013 -0.728 0.453) 0.858 11.338 ( -0.056 -0.301 -0.471) 0.562 11.643 ( -2.696 -0.961 -2.865) 4.050 11.814 ( 1.125 -2.532 1.404) 3.106 12.142 ( -1.006 -1.091 1.453) 2.077 12.231 ( -0.214 0.821 -0.456) 0.963 12.343 ( 0.408 1.624 0.655) 1.798 12.479 ( 1.401 -0.496 0.556) 1.587 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -0.501 0.483 -1.085) 1.289 0.466 ( -2.422 4.983 -0.886) 5.611 0.602 ( 0.596 1.308 -0.168) 1.447 0.660 ( -1.380 0.565 -0.420) 1.549 0.758 ( 2.369 -0.855 -0.784) 2.638 0.826 ( 0.823 0.762 2.689) 2.914 0.896 ( 1.665 0.255 0.356) 1.722 0.942 ( 1.893 -0.896 -1.455) 2.550 1.023 ( 2.271 0.494 0.127) 2.328 1.075 ( 1.856 2.475 -0.725) 3.177 1.139 ( 0.685 -2.731 -1.867) 3.378 1.176 ( 4.489 0.456 -1.788) 4.854 1.213 ( 0.988 1.323 2.868) 3.310 1.279 ( -2.414 0.582 -0.018) 2.483 1.349 ( -0.409 2.063 -1.740) 2.729 1.394 ( 0.375 2.111 1.183) 2.448 1.483 ( 1.105 -3.670 -3.619) 5.271 1.587 ( -0.769 -1.020 -1.125) 1.702 1.722 ( -3.695 -3.502 2.123) 5.516 1.828 ( 0.206 -2.907 -0.829) 3.030 1.901 ( 0.904 0.496 -3.462) 3.612 1.970 ( 1.146 2.926 -0.360) 3.163 2.001 ( 2.059 1.040 -0.610) 2.386 2.068 ( 0.510 1.500 -1.101) 1.930 2.146 ( 0.219 2.397 -1.330) 2.750 2.238 ( -1.591 0.730 -0.211) 1.763 2.364 ( 0.224 0.607 -2.213) 2.306 2.415 ( 1.701 -0.124 -0.123) 1.710 2.451 ( -0.780 2.098 -3.413) 4.081 2.470 ( -1.376 0.371 -1.860) 2.343 2.601 ( 0.030 -1.733 1.666) 2.404 2.648 ( 1.149 0.680 3.452) 3.701 2.681 ( 0.626 -2.059 0.176) 2.159 2.776 ( 0.299 -0.419 0.653) 0.832 2.793 ( 1.489 -1.523 3.985) 4.519 2.930 ( -1.442 1.247 0.710) 2.034 2.955 ( -1.716 3.021 0.040) 3.475 3.075 ( -2.056 -0.191 3.346) 3.932 3.160 ( -0.031 -0.194 1.253) 1.268 3.284 ( 0.368 -0.651 1.632) 1.795 3.518 ( 4.628 -3.972 -1.363) 6.249 3.608 ( 0.806 0.140 1.500) 1.709 3.794 ( 0.612 2.769 0.335) 2.856 3.848 ( -0.573 4.806 0.687) 4.888 3.927 ( -1.208 2.414 -0.234) 2.709 3.977 ( -2.163 2.773 -0.494) 3.551 4.252 ( -0.356 -1.294 -1.172) 1.782 4.287 ( -0.353 0.456 -0.822) 1.004 4.529 ( 0.197 0.534 0.318) 0.652 4.633 ( 0.790 0.714 -0.311) 1.109 5.037 ( 0.211 -0.657 0.609) 0.921 5.072 ( 0.702 -0.097 -0.887) 1.135 5.482 ( 1.194 0.895 -1.167) 1.894 5.578 ( -0.947 2.607 -1.712) 3.260 5.914 ( 0.370 0.057 2.392) 2.421 5.957 ( 1.430 -0.982 1.762) 2.472 6.121 ( 2.690 1.932 -1.738) 3.741 6.228 ( 1.406 -0.505 -0.827) 1.707 6.424 ( -1.766 -1.196 1.026) 2.367 6.502 ( -2.630 -1.664 0.289) 3.125 6.678 ( -0.950 -1.441 1.676) 2.406 6.751 ( 0.135 -2.279 -0.259) 2.297 6.817 ( -1.696 0.805 0.348) 1.909 6.907 ( -0.598 -1.842 -1.136) 2.245 7.148 ( -0.313 -2.061 -0.634) 2.179 7.208 ( -0.858 -0.455 0.008) 0.972 7.395 ( -0.533 -0.242 -0.013) 0.586 7.473 ( 0.051 -0.110 0.244) 0.273 7.742 ( 1.353 -1.654 0.006) 2.137 7.778 ( -0.359 -0.726 -0.221) 0.839 7.948 ( -0.854 1.157 -0.106) 1.442 8.142 ( -1.387 -0.318 0.384) 1.474 8.299 ( -0.303 -1.005 -0.563) 1.191 8.333 ( -0.129 -0.395 -0.346) 0.540 9.650 ( 1.171 -0.005 -0.079) 1.174 9.674 ( 0.819 -0.358 0.230) 0.923 11.315 ( -0.035 -1.065 -0.045) 1.067 11.339 ( 0.074 0.186 0.081) 0.217 11.589 ( -0.799 -1.049 -0.637) 1.464 11.828 ( -0.088 -2.207 -0.366) 2.238 12.145 ( -0.739 -1.003 1.469) 1.926 12.222 ( -0.170 0.726 -0.303) 0.804 12.359 ( 0.465 1.239 0.530) 1.426 12.498 ( 0.560 -0.494 -0.416) 0.855 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.443 3.930 -0.582) 3.998 0.421 ( -0.335 4.427 -1.894) 4.827 0.606 ( 0.783 1.928 -1.805) 2.755 0.650 ( -0.251 0.778 1.007) 1.297 0.778 ( 0.063 -2.028 0.519) 2.094 0.843 ( -1.757 -0.578 1.151) 2.178 0.910 ( -0.204 0.964 0.337) 1.041 0.942 ( 1.064 -0.575 -2.866) 3.111 1.036 ( -0.906 0.147 -0.089) 0.922 1.081 ( -0.106 1.337 -1.427) 1.958 1.121 ( 0.912 0.112 -3.492) 3.611 1.174 ( -1.795 2.532 -2.670) 4.094 1.226 ( -2.456 -0.012 -0.982) 2.645 1.257 ( 1.555 -0.829 0.129) 1.767 1.333 ( 1.179 1.795 -1.702) 2.740 1.397 ( -1.052 2.058 0.642) 2.399 1.509 ( 5.803 -7.172 -1.222) 9.306 1.556 ( -2.031 -2.922 -0.377) 3.579 1.715 ( -1.241 -3.075 3.247) 4.641 1.810 ( 0.163 -3.309 -1.258) 3.543 1.881 ( 2.562 1.011 -5.582) 6.224 1.963 ( -0.449 1.118 -2.453) 2.733 2.022 ( 0.236 1.518 -0.127) 1.541 2.048 ( -1.525 2.506 -1.085) 3.128 2.128 ( -2.119 0.667 -4.278) 4.821 2.206 ( 3.098 7.024 -0.308) 7.683 2.298 ( -1.954 1.376 -6.163) 6.610 2.382 ( 0.695 -0.450 -1.367) 1.598 2.410 ( -3.447 0.926 -0.972) 3.699 2.466 ( 0.469 0.025 -1.611) 1.678 2.603 ( -0.411 -2.484 0.070) 2.519 2.657 ( -0.444 -0.235 -1.107) 1.216 2.699 ( -0.516 -0.320 3.333) 3.388 2.773 ( -0.494 -0.740 0.701) 1.132 2.844 ( 0.883 -1.208 1.573) 2.171 2.910 ( 1.000 1.367 0.219) 1.708 3.066 ( -1.372 -0.178 4.462) 4.672 3.093 ( 3.296 1.432 6.134) 7.110 3.178 ( -0.589 0.134 4.408) 4.449 3.345 ( 0.641 -0.824 6.147) 6.234 3.591 ( 2.539 -3.208 2.437) 4.761 3.620 ( -1.041 -0.951 1.875) 2.346 3.795 ( -0.323 1.488 -0.121) 1.527 3.823 ( -1.969 6.203 -2.406) 6.939 3.918 ( 0.366 3.295 0.531) 3.357 3.952 ( 0.439 2.644 -0.512) 2.729 4.223 ( -0.341 -1.225 -2.753) 3.033 4.260 ( -0.162 0.532 -2.752) 2.808 4.545 ( 0.190 0.639 1.438) 1.585 4.635 ( 0.030 0.622 -0.705) 0.941 5.036 ( -0.670 -0.739 0.068) 1.000 5.073 ( 0.645 0.202 -0.833) 1.072 5.491 ( 0.780 2.335 -0.699) 2.559 5.549 ( 0.554 1.678 -2.386) 2.969 5.929 ( -2.021 1.121 2.757) 3.597 6.000 ( -0.249 -2.746 2.633) 3.812 6.139 ( 2.263 -0.049 -1.695) 2.828 6.218 ( -0.333 0.831 -1.965) 2.160 6.424 ( -0.405 -1.269 1.982) 2.388 6.496 ( 0.339 -1.416 1.670) 2.216 6.675 ( -1.495 -1.765 1.458) 2.735 6.756 ( 0.730 -2.021 -0.238) 2.162 6.797 ( -0.456 1.299 0.012) 1.377 6.885 ( 0.440 -1.458 -2.147) 2.632 7.140 ( 0.204 -2.187 -0.679) 2.299 7.180 ( -0.833 -0.489 -1.895) 2.127 7.396 ( 0.228 0.166 0.687) 0.743 7.465 ( -0.509 -0.085 -0.847) 0.992 7.766 ( 0.011 -1.318 0.714) 1.499 7.778 ( 0.683 -1.911 0.569) 2.108 7.961 ( 0.959 1.077 2.017) 2.480 8.111 ( -1.121 -0.028 -1.692) 2.030 8.294 ( 0.317 -1.015 -0.343) 1.117 8.323 ( -0.070 -0.386 -1.014) 1.087 9.665 ( 0.265 -0.044 0.366) 0.454 9.680 ( -0.210 -0.308 -0.003) 0.373 11.315 ( -0.006 -1.048 0.087) 1.052 11.335 ( -0.167 -0.028 -0.432) 0.464 11.608 ( 1.613 -1.023 2.411) 3.076 11.804 ( -0.772 -2.126 -2.449) 3.334 12.149 ( -0.840 -1.035 1.608) 2.089 12.220 ( 0.313 0.704 -0.187) 0.793 12.369 ( -0.182 1.276 0.843) 1.541 12.488 ( -0.214 -0.290 -1.707) 1.745 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 0.380 3.061 0.319) 3.101 0.430 ( 2.574 4.465 -0.278) 5.161 0.578 ( -0.787 1.923 -3.907) 4.425 0.644 ( -0.851 1.581 -0.981) 2.046 0.771 ( -2.268 -1.607 0.163) 2.785 0.817 ( -2.226 0.028 1.060) 2.466 0.885 ( -1.879 1.527 -4.333) 4.963 0.891 ( -2.273 0.670 -1.033) 2.585 1.011 ( -2.585 0.865 0.284) 2.741 1.032 ( -3.214 1.059 0.186) 3.389 1.076 ( -1.136 0.667 -1.904) 2.315 1.113 ( -0.945 1.549 -3.150) 3.635 1.194 ( 0.005 1.671 -1.632) 2.336 1.266 ( -0.348 -3.713 -0.143) 3.732 1.360 ( -1.832 0.525 -0.090) 1.908 1.379 ( 2.443 1.752 0.971) 3.160 1.495 ( -0.747 -2.750 -3.333) 4.385 1.621 ( 3.079 -2.830 0.759) 4.250 1.720 ( -1.025 -1.725 -1.078) 2.278 1.804 ( -1.428 -1.071 -0.342) 1.817 1.838 ( 0.463 1.287 -4.076) 4.299 1.901 ( -1.636 2.354 -3.294) 4.367 1.991 ( -2.733 0.642 -1.512) 3.189 2.010 ( -0.030 0.527 -0.334) 0.625 2.066 ( 1.685 -0.102 -1.856) 2.509 2.216 ( -1.016 0.297 -1.192) 1.594 2.289 ( 1.098 2.638 3.477) 4.501 2.333 ( 0.685 3.290 -2.639) 4.273 2.424 ( -0.733 0.674 -1.765) 2.027 2.472 ( 5.688 1.804 1.527) 6.160 2.594 ( -2.167 -2.269 0.119) 3.140 2.624 ( -0.784 -3.238 -0.872) 3.444 2.709 ( -1.538 -0.690 1.854) 2.506 2.803 ( 1.237 2.225 1.662) 3.040 2.857 ( -0.167 -1.381 -0.293) 1.422 2.936 ( 1.724 1.258 -0.447) 2.180 3.068 ( -1.976 -0.368 2.627) 3.308 3.141 ( 0.122 0.043 -0.543) 0.558 3.310 ( 2.473 0.136 9.582) 9.897 3.396 ( -0.829 0.217 1.457) 1.690 3.596 ( -3.937 -0.577 3.295) 5.166 3.668 ( -0.679 -0.661 5.202) 5.288 3.758 ( -0.122 2.606 -0.887) 2.756 3.819 ( 2.103 2.424 -1.239) 3.440 3.904 ( -0.729 1.128 -1.013) 1.682 3.989 ( 2.926 3.112 0.090) 4.272 4.174 ( -1.124 -0.007 -3.260) 3.448 4.231 ( 0.792 -0.205 -2.861) 2.976 4.560 ( -0.600 0.470 1.470) 1.656 4.616 ( -0.967 0.655 -1.250) 1.711 5.017 ( -1.319 -0.472 -0.110) 1.405 5.079 ( 0.937 -0.060 -0.500) 1.063 5.490 ( 0.217 1.862 -0.686) 1.996 5.537 ( 1.059 1.930 -2.534) 3.357 5.910 ( -3.027 0.279 1.873) 3.571 6.018 ( -1.520 -1.590 3.449) 4.090 6.142 ( -1.314 1.814 -0.497) 2.294 6.191 ( 0.944 0.433 -2.600) 2.799 6.443 ( -0.408 -2.164 2.138) 3.069 6.529 ( 1.575 -1.135 -0.089) 1.943 6.681 ( 0.186 -1.770 2.566) 3.122 6.765 ( 0.414 -2.031 0.336) 2.100 6.805 ( 1.336 0.151 -0.613) 1.478 6.883 ( 2.184 -1.108 -1.704) 2.984 7.133 ( -0.242 -1.658 -1.083) 1.995 7.153 ( 0.462 -0.725 -1.307) 1.564 7.413 ( 0.225 0.301 0.774) 0.861 7.450 ( 0.420 -0.118 -0.700) 0.825 7.757 ( -1.454 -2.003 0.518) 2.529 7.795 ( 0.159 -0.672 0.195) 0.718 8.026 ( 2.801 0.197 3.109) 4.190 8.070 ( -0.425 0.148 -2.773) 2.809 8.296 ( 0.160 -0.902 -0.581) 1.085 8.314 ( 0.671 -0.322 -0.941) 1.200 9.660 ( -1.315 -0.412 0.054) 1.380 9.673 ( -0.543 -0.082 0.313) 0.632 11.310 ( -0.552 -0.533 -0.132) 0.778 11.338 ( 0.889 -0.793 0.075) 1.194 11.682 ( 2.402 -1.050 3.405) 4.297 11.749 ( -0.983 -2.081 -4.165) 4.759 12.154 ( -0.974 -1.132 1.844) 2.373 12.226 ( 0.634 0.725 -0.341) 1.022 12.373 ( -1.022 1.527 1.687) 2.495 12.458 ( -0.407 -0.015 -2.166) 2.204 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -2.999 1.713 4.973) 6.055 0.474 ( 2.835 5.692 -1.265) 6.483 0.486 ( -2.680 4.955 -5.794) 8.081 0.597 ( -3.723 -1.173 -0.841) 3.993 0.679 ( -3.553 0.547 -1.870) 4.052 0.802 ( -0.846 1.509 0.872) 1.937 0.817 ( -2.105 1.002 -0.797) 2.464 0.868 ( -1.098 1.814 0.420) 2.161 0.954 ( -3.760 1.927 -0.221) 4.231 0.981 ( -3.287 0.776 0.000) 3.377 1.037 ( -3.113 0.460 -1.841) 3.646 1.070 ( -1.221 2.142 0.796) 2.591 1.151 ( -3.308 3.225 -2.364) 5.190 1.243 ( -1.756 -0.425 1.880) 2.607 1.344 ( 0.393 -0.471 -0.137) 0.629 1.388 ( -4.264 2.686 -1.240) 5.190 1.478 ( 2.893 1.019 -0.104) 3.069 1.572 ( -0.973 2.148 -2.386) 3.355 1.671 ( -3.131 0.789 -0.920) 3.357 1.791 ( -1.594 0.540 -1.178) 2.054 1.837 ( 2.460 -1.367 0.293) 2.829 1.900 ( 2.071 -0.466 0.638) 2.217 1.957 ( 0.970 -0.072 -1.115) 1.480 2.032 ( 1.123 0.170 0.536) 1.256 2.112 ( 4.703 -4.159 -0.322) 6.286 2.203 ( -0.739 -0.323 1.756) 1.932 2.291 ( 0.034 -0.223 -2.088) 2.100 2.333 ( -1.333 1.181 -0.046) 1.782 2.442 ( 2.635 2.528 1.335) 3.888 2.551 ( -1.486 -1.706 0.589) 2.338 2.594 ( 0.663 -0.264 0.498) 0.871 2.617 ( 2.734 -0.057 2.533) 3.727 2.704 ( -0.892 -0.586 0.869) 1.377 2.808 ( -1.334 1.828 0.082) 2.264 2.861 ( 1.990 0.649 -1.936) 2.851 2.955 ( 1.268 0.120 -0.142) 1.281 3.063 ( -1.372 0.825 1.768) 2.385 3.130 ( -0.444 0.612 -0.156) 0.772 3.322 ( -3.269 -0.873 -3.188) 4.649 3.442 ( 0.817 -0.603 3.481) 3.627 3.553 ( -3.101 0.619 -0.037) 3.162 3.684 ( -3.599 0.180 3.237) 4.844 3.775 ( 1.800 2.310 -0.410) 2.957 3.844 ( 2.391 5.026 -0.719) 5.613 3.906 ( 1.811 -3.182 0.432) 3.686 4.032 ( 1.478 1.803 0.403) 2.366 4.128 ( -0.902 0.383 -0.974) 1.382 4.221 ( 0.753 -0.404 -1.091) 1.386 4.555 ( -1.204 0.460 0.418) 1.355 4.580 ( -1.471 1.122 -0.844) 2.034 4.997 ( -1.123 -0.686 0.262) 1.342 5.090 ( 0.862 -0.400 -0.494) 1.071 5.477 ( -0.155 -0.025 -2.430) 2.435 5.535 ( 1.286 2.493 0.101) 2.806 5.881 ( -2.341 0.037 0.745) 2.457 6.014 ( -2.380 2.398 1.196) 3.584 6.098 ( -2.766 0.353 0.490) 2.831 6.189 ( 1.116 2.619 -1.291) 3.127 6.463 ( -0.144 -2.867 2.475) 3.790 6.545 ( 1.844 -0.582 -1.480) 2.435 6.730 ( 1.327 -3.189 1.746) 3.870 6.780 ( 0.552 -2.185 0.742) 2.373 6.829 ( 2.296 -1.051 0.163) 2.531 6.910 ( 2.073 -1.416 -0.677) 2.600 7.121 ( 0.387 -0.655 -0.464) 0.892 7.161 ( 1.069 -0.731 0.034) 1.295 7.412 ( -0.110 -1.305 -0.361) 1.358 7.468 ( 0.985 0.706 0.674) 1.387 7.732 ( -1.579 -1.312 -0.350) 2.083 7.788 ( -0.636 0.472 -0.405) 0.890 8.025 ( -0.436 -0.178 -2.802) 2.842 8.122 ( 3.473 -0.290 2.764) 4.448 8.290 ( 0.162 -0.497 -0.365) 0.638 8.318 ( 0.688 -0.505 -0.988) 1.306 9.630 ( -1.861 -0.208 -0.245) 1.888 9.665 ( -1.045 -0.732 0.491) 1.367 11.302 ( -0.259 -0.210 0.094) 0.347 11.358 ( 1.049 -1.310 -0.014) 1.678 11.665 ( -1.589 -2.065 -4.720) 5.392 11.766 ( 2.283 -0.749 2.410) 3.403 12.160 ( -1.091 -1.572 2.367) 3.044 12.231 ( 0.634 0.656 -0.750) 1.181 12.372 ( -1.818 1.160 1.981) 2.928 12.439 ( 0.716 0.857 -0.672) 1.304 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -7.737 3.956 -1.776) 8.869 0.382 ( -4.395 6.312 10.564) 13.067 0.524 ( -0.067 0.654 1.594) 1.724 0.583 ( 1.678 5.774 4.041) 7.245 0.634 ( -1.600 4.954 -0.301) 5.214 0.767 ( -3.273 1.569 -0.458) 3.659 0.808 ( 0.460 1.543 0.633) 1.730 0.832 ( -2.418 3.406 1.012) 4.298 0.903 ( -2.402 5.608 0.671) 6.138 0.924 ( -3.631 0.379 -0.014) 3.651 0.980 ( -1.243 0.155 1.271) 1.785 1.062 ( -0.638 5.333 -0.019) 5.371 1.088 ( -1.430 2.840 0.374) 3.202 1.249 ( -1.271 0.570 0.913) 1.666 1.289 ( -3.914 2.784 1.621) 5.069 1.385 ( 0.685 -0.123 1.481) 1.636 1.519 ( 1.708 1.216 -1.734) 2.720 1.558 ( 0.233 -1.089 -0.646) 1.287 1.622 ( -0.428 2.566 0.100) 2.603 1.765 ( -0.782 -1.122 -0.137) 1.375 1.853 ( 0.371 -0.362 0.164) 0.544 1.938 ( 1.001 -1.333 1.314) 2.123 2.002 ( 2.094 0.786 2.239) 3.165 2.059 ( 1.955 0.219 0.119) 1.971 2.157 ( 0.495 -1.976 -0.079) 2.038 2.226 ( 0.353 -1.268 0.427) 1.383 2.292 ( -1.234 0.894 0.175) 1.534 2.309 ( 2.286 -2.837 0.655) 3.702 2.478 ( 1.202 0.049 -1.294) 1.767 2.537 ( -1.821 -1.498 1.210) 2.650 2.576 ( -0.399 -1.958 -1.264) 2.364 2.644 ( -1.373 -1.633 0.152) 2.138 2.723 ( -1.392 5.456 -0.274) 5.638 2.792 ( 2.259 0.855 -1.484) 2.835 2.873 ( 1.412 0.477 -0.999) 1.794 2.993 ( 2.429 0.741 1.192) 2.806 3.075 ( 0.487 1.444 2.099) 2.594 3.131 ( -0.059 0.831 0.878) 1.211 3.219 ( -4.590 -0.092 -2.246) 5.111 3.421 ( -0.549 -1.694 -5.018) 5.325 3.505 ( -0.531 1.432 -3.782) 4.079 3.628 ( -2.789 -0.244 -2.509) 3.760 3.800 ( 1.732 1.268 -0.308) 2.168 3.884 ( 1.140 4.236 1.811) 4.746 3.957 ( 2.531 -2.077 0.886) 3.392 4.026 ( -1.269 0.906 -1.945) 2.493 4.135 ( -0.297 -0.340 3.700) 3.727 4.235 ( 0.503 0.033 1.541) 1.622 4.538 ( -0.343 0.600 -0.326) 0.765 4.556 ( -1.322 1.478 0.716) 2.108 4.984 ( -0.977 -1.507 0.471) 1.857 5.094 ( 0.619 -0.620 -0.784) 1.176 5.440 ( -0.763 -2.214 -1.102) 2.588 5.587 ( 3.260 3.045 0.576) 4.498 5.848 ( -1.081 1.772 0.063) 2.077 5.982 ( -1.599 5.119 -1.186) 5.492 6.069 ( -1.261 0.042 0.163) 1.272 6.186 ( 0.647 3.352 -2.416) 4.182 6.499 ( -0.159 -4.376 3.723) 5.748 6.564 ( 1.918 -0.597 -0.757) 2.146 6.747 ( 0.317 -3.420 -0.774) 3.521 6.792 ( -0.119 -2.856 0.115) 2.861 6.878 ( 1.623 -1.899 1.075) 2.720 6.924 ( 0.555 -2.518 -0.839) 2.712 7.138 ( 1.238 0.492 0.433) 1.401 7.192 ( 0.854 -1.121 2.597) 2.955 7.412 ( 0.528 -2.106 -0.129) 2.175 7.477 ( -0.787 -0.019 -0.041) 0.789 7.705 ( -0.544 0.567 -0.077) 0.789 7.778 ( 0.296 1.340 -0.338) 1.413 7.991 ( -0.206 0.031 -1.359) 1.375 8.192 ( 1.702 -0.687 1.081) 2.130 8.296 ( 0.504 -0.180 -0.166) 0.560 8.316 ( 0.225 -0.304 0.596) 0.706 9.601 ( -0.969 0.084 -0.152) 0.984 9.644 ( -1.901 -1.389 -0.310) 2.375 11.305 ( 0.405 0.084 0.259) 0.488 11.357 ( -0.428 -0.945 -1.186) 1.575 11.604 ( -0.341 -1.060 -1.031) 1.518 11.812 ( 0.912 -0.639 0.395) 1.182 12.169 ( -1.530 -2.493 2.599) 3.913 12.235 ( 1.056 0.024 -0.846) 1.353 12.358 ( -2.002 0.021 1.526) 2.517 12.466 ( 1.532 0.748 0.326) 1.736 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 3.505 -1.428 1.712) 4.154 0.450 ( -1.577 -3.529 0.055) 3.866 0.626 ( -2.153 1.752 3.306) 4.317 0.668 ( -0.767 4.467 1.940) 4.930 0.722 ( -1.632 2.694 2.991) 4.344 0.777 ( 2.129 0.594 1.466) 2.652 0.854 ( 2.220 2.303 -0.947) 3.336 0.891 ( 1.240 3.985 0.898) 4.269 0.924 ( -0.979 1.904 2.132) 3.021 0.971 ( -0.381 1.820 -0.447) 1.912 1.081 ( 0.271 0.376 1.362) 1.439 1.161 ( -1.682 6.678 1.190) 6.989 1.211 ( -0.328 -1.190 -2.243) 2.560 1.280 ( 2.445 3.818 2.885) 5.373 1.354 ( 0.484 8.220 1.921) 8.456 1.414 ( -3.638 3.760 2.529) 5.811 1.544 ( 0.034 1.316 -0.706) 1.494 1.552 ( 1.606 0.894 -1.375) 2.295 1.693 ( 0.494 2.755 4.094) 4.959 1.759 ( 0.444 2.379 0.171) 2.426 1.879 ( 1.209 0.210 0.981) 1.571 1.934 ( 1.068 -1.388 1.579) 2.358 2.018 ( -1.469 -3.620 0.540) 3.944 2.083 ( 0.099 0.377 4.329) 4.346 2.152 ( 0.220 -2.632 0.051) 2.642 2.201 ( -2.819 -0.431 3.030) 4.161 2.261 ( -0.746 -0.055 0.150) 0.763 2.346 ( 1.089 -1.649 -0.192) 1.985 2.409 ( 0.837 -2.843 0.993) 3.126 2.481 ( 0.274 -1.756 -1.043) 2.061 2.530 ( 0.953 -1.150 0.909) 1.749 2.642 ( -1.707 0.911 -0.931) 2.147 2.744 ( -0.193 2.387 -3.267) 4.051 2.787 ( 0.340 -0.590 -3.818) 3.878 2.881 ( -1.307 1.159 -2.030) 2.678 3.018 ( -1.421 -0.492 1.771) 2.323 3.101 ( -1.935 1.037 -2.050) 3.004 3.165 ( -0.045 2.168 -0.173) 2.176 3.247 ( 4.088 1.678 0.617) 4.462 3.325 ( 1.351 -1.135 -6.650) 6.880 3.481 ( 0.364 2.099 -5.343) 5.752 3.560 ( -0.386 0.043 -3.064) 3.089 3.827 ( 0.965 0.426 0.044) 1.056 3.903 ( -3.355 -0.798 -1.760) 3.872 3.985 ( 1.360 0.976 2.166) 2.737 4.047 ( 0.153 2.959 -0.269) 2.975 4.176 ( -0.005 -0.241 4.528) 4.534 4.253 ( -0.533 -0.566 1.640) 1.815 4.566 ( 0.582 1.456 0.583) 1.672 4.588 ( -0.547 2.430 0.106) 2.493 4.945 ( 0.150 -1.843 1.512) 2.389 5.067 ( -0.020 -1.211 -1.171) 1.685 5.420 ( 2.188 -1.129 2.875) 3.785 5.615 ( -1.483 -0.025 -2.119) 2.587 5.939 ( 1.218 3.794 1.469) 4.247 6.029 ( -0.351 3.958 -0.269) 3.983 6.103 ( -0.667 3.515 -1.967) 4.083 6.203 ( 0.549 1.779 -3.879) 4.303 6.443 ( -0.858 -2.781 2.079) 3.576 6.563 ( 1.110 -1.921 -0.300) 2.239 6.672 ( -0.178 -3.653 -0.454) 3.686 6.721 ( -0.916 -2.074 -0.429) 2.307 6.825 ( -0.279 -4.154 0.113) 4.165 6.852 ( -0.206 -3.511 -0.630) 3.573 7.169 ( -0.722 -0.002 1.514) 1.677 7.193 ( -0.181 -0.866 1.484) 1.728 7.379 ( 0.501 -1.922 0.303) 2.009 7.442 ( -0.058 -0.791 -1.336) 1.554 7.744 ( 0.098 1.370 0.798) 1.588 7.796 ( 0.134 0.845 -0.533) 1.008 8.015 ( 1.651 -0.215 2.059) 2.648 8.164 ( -1.521 -1.435 -1.728) 2.713 8.298 ( 0.113 0.001 0.676) 0.685 8.325 ( 0.239 -0.888 0.929) 1.307 9.594 ( -0.011 -0.290 0.001) 0.290 9.604 ( 0.058 -0.248 -0.164) 0.303 11.301 ( -0.160 -0.340 0.003) 0.375 11.334 ( -0.038 -1.054 -0.465) 1.153 11.611 ( 2.122 -1.679 2.872) 3.946 11.775 ( -1.226 -1.583 -1.722) 2.641 12.126 ( -1.491 -1.224 1.660) 2.545 12.234 ( 1.240 -0.185 -1.465) 1.928 12.381 ( -0.082 1.878 1.065) 2.160 12.465 ( -0.687 0.280 -1.173) 1.387 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -2.490 -4.407 -1.312) 5.229 0.472 ( 3.890 -2.495 2.067) 5.062 0.630 ( -1.133 1.374 2.926) 3.425 0.668 ( 0.176 2.298 0.334) 2.329 0.766 ( 0.874 3.026 2.726) 4.166 0.819 ( 0.112 0.453 -0.470) 0.662 0.875 ( 0.803 3.363 -1.349) 3.712 0.902 ( 1.535 2.205 0.363) 2.711 0.947 ( 1.291 1.117 1.150) 2.058 0.989 ( 2.437 4.355 0.555) 5.021 1.100 ( 0.349 1.649 1.427) 2.209 1.156 ( -0.602 0.647 0.713) 1.135 1.221 ( 1.011 0.517 2.155) 2.436 1.274 ( -2.955 5.650 -0.268) 6.382 1.352 ( -2.440 -0.939 1.904) 3.234 1.438 ( 1.698 3.665 2.024) 4.519 1.530 ( -0.259 -0.771 -1.309) 1.542 1.586 ( 3.064 3.144 -1.412) 4.612 1.741 ( 0.369 2.917 2.420) 3.808 1.806 ( 1.731 2.555 0.288) 3.100 1.888 ( -1.788 -2.170 3.370) 4.389 1.951 ( -0.213 -0.417 0.051) 0.471 2.018 ( -1.186 -0.435 4.539) 4.711 2.104 ( -2.046 0.220 0.639) 2.155 2.160 ( 0.417 -1.694 4.459) 4.788 2.206 ( -1.935 0.169 5.589) 5.916 2.275 ( 0.720 -0.266 0.642) 1.001 2.374 ( 1.649 -2.267 -1.908) 3.391 2.387 ( -0.783 -0.021 -0.101) 0.790 2.510 ( 1.778 -1.587 0.479) 2.431 2.573 ( 0.749 0.370 0.020) 0.836 2.597 ( 0.247 -0.792 1.294) 1.537 2.700 ( -0.166 2.161 -4.517) 5.010 2.758 ( 1.507 -0.140 -3.810) 4.099 2.821 ( -2.404 1.373 -2.779) 3.923 2.973 ( -1.673 0.010 -2.620) 3.108 3.063 ( -1.211 -0.016 -0.016) 1.211 3.152 ( -0.120 -0.356 -1.518) 1.563 3.239 ( -1.052 0.540 -4.338) 4.496 3.340 ( 1.843 0.535 -4.053) 4.485 3.452 ( 2.552 1.945 0.340) 3.226 3.522 ( 0.897 0.491 -4.435) 4.551 3.827 ( -1.545 0.604 -0.775) 1.830 3.885 ( 2.819 0.501 1.464) 3.216 3.995 ( -2.295 3.219 0.020) 3.953 4.051 ( 1.164 1.212 0.396) 1.726 4.223 ( -0.412 -0.149 3.378) 3.406 4.269 ( 0.238 -0.940 1.911) 2.143 4.566 ( -0.667 1.933 -0.218) 2.056 4.604 ( 1.546 1.380 0.727) 2.196 4.975 ( 0.806 -1.276 1.704) 2.276 5.053 ( 0.568 -1.121 -1.665) 2.086 5.509 ( 1.582 0.090 1.898) 2.473 5.560 ( 0.613 -0.408 -0.938) 1.193 5.943 ( -2.916 3.004 0.545) 4.221 6.024 ( -0.641 4.154 -0.944) 4.307 6.086 ( 2.049 2.503 -0.108) 3.237 6.183 ( 2.028 2.149 -3.278) 4.413 6.441 ( -1.888 -1.614 1.741) 3.033 6.561 ( -0.637 -2.671 -1.212) 3.002 6.658 ( -1.234 -3.007 0.181) 3.256 6.704 ( -0.198 -1.969 -0.152) 1.985 6.810 ( -0.882 -3.386 0.006) 3.499 6.854 ( 0.731 -4.189 -0.159) 4.256 7.160 ( -2.131 -0.781 1.331) 2.631 7.200 ( -0.932 -0.335 1.590) 1.874 7.393 ( 0.679 -1.063 0.214) 1.279 7.437 ( 1.100 -1.215 -1.219) 2.042 7.735 ( -1.631 1.000 0.302) 1.937 7.793 ( 0.119 0.567 -0.379) 0.693 8.072 ( 0.273 -0.798 1.859) 2.041 8.098 ( -1.955 -0.876 -1.687) 2.727 8.306 ( -0.504 -0.290 0.840) 1.022 8.330 ( -0.270 -0.940 0.202) 0.998 9.601 ( 0.994 -0.187 0.023) 1.011 9.619 ( 1.560 -0.257 -0.207) 1.595 11.299 ( -0.307 -0.438 0.317) 0.622 11.328 ( 0.064 -1.165 -0.439) 1.247 11.685 ( 0.846 -1.851 2.097) 2.923 11.716 ( -1.332 -2.011 -1.765) 2.989 12.121 ( -1.111 -1.013 1.367) 2.032 12.240 ( 1.227 -0.077 -1.321) 1.804 12.389 ( -0.624 2.488 0.557) 2.625 12.449 ( 0.574 -0.069 -0.250) 0.629 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 1.711 -3.435 -1.990) 4.323 0.541 ( 0.799 0.306 2.459) 2.603 0.645 ( -0.085 0.119 0.188) 0.238 0.678 ( -0.078 2.384 1.010) 2.590 0.770 ( -1.414 0.919 -1.580) 2.311 0.813 ( 0.437 1.495 -0.011) 1.558 0.871 ( 2.146 1.237 -0.513) 2.529 0.929 ( 0.810 0.795 -0.503) 1.241 1.006 ( 2.914 1.656 1.195) 3.558 1.036 ( 2.601 1.095 -0.331) 2.841 1.122 ( 0.803 1.383 -0.204) 1.613 1.152 ( -1.068 2.083 1.415) 2.735 1.232 ( 0.208 2.464 1.495) 2.890 1.286 ( 0.942 -0.013 1.085) 1.437 1.347 ( -0.050 -2.252 1.625) 2.778 1.461 ( 0.048 1.333 0.015) 1.334 1.497 ( -2.041 2.174 -1.570) 3.370 1.597 ( -1.190 -1.106 -0.191) 1.636 1.718 ( -5.573 -3.656 -0.251) 6.670 1.791 ( 1.738 0.156 -0.007) 1.745 1.923 ( -0.404 0.354 -1.465) 1.560 1.966 ( 2.222 1.190 -0.080) 2.522 2.043 ( 0.971 3.879 1.716) 4.351 2.092 ( 0.261 1.512 0.102) 1.538 2.214 ( -1.907 0.789 4.070) 4.563 2.251 ( -0.893 0.967 -0.092) 1.319 2.293 ( 1.914 -0.608 5.734) 6.075 2.368 ( 1.822 -1.149 0.656) 2.251 2.439 ( 1.895 -0.627 1.574) 2.542 2.524 ( 1.387 -1.887 -2.365) 3.328 2.566 ( 0.714 -1.127 -0.212) 1.351 2.650 ( 0.907 0.992 0.013) 1.344 2.682 ( -0.021 3.505 -0.006) 3.505 2.709 ( -0.597 -1.208 -0.729) 1.532 2.765 ( -0.158 0.274 -1.816) 1.843 2.938 ( -0.636 -0.155 -0.381) 0.757 3.049 ( -1.728 -0.554 1.455) 2.326 3.128 ( -0.744 -2.262 -2.777) 3.658 3.159 ( -2.428 2.657 -2.017) 4.126 3.277 ( -1.118 -0.650 -4.154) 4.350 3.469 ( 1.022 -0.087 -4.590) 4.703 3.553 ( 3.268 0.314 2.518) 4.138 3.830 ( 1.524 2.538 0.770) 3.059 3.928 ( -0.773 3.563 0.004) 3.646 3.968 ( 0.733 1.514 1.224) 2.081 4.070 ( 0.149 2.490 0.085) 2.496 4.236 ( -0.624 -0.937 0.804) 1.383 4.294 ( 0.169 -0.004 1.071) 1.084 4.554 ( -0.073 2.046 -0.455) 2.097 4.637 ( 1.296 1.415 0.439) 1.969 5.004 ( 0.366 -1.073 1.322) 1.741 5.054 ( 1.545 -0.766 -1.232) 2.119 5.491 ( 0.711 0.340 -2.190) 2.327 5.624 ( 1.881 0.172 1.290) 2.288 5.886 ( -2.240 1.816 -0.603) 2.946 6.006 ( -1.262 4.095 1.088) 4.422 6.118 ( 1.032 -1.279 -0.807) 1.831 6.205 ( 3.450 2.775 -0.990) 4.537 6.425 ( -1.969 -0.678 1.139) 2.373 6.516 ( -2.121 -2.227 -1.721) 3.524 6.643 ( -1.293 -2.451 1.055) 2.965 6.706 ( -0.069 -1.950 0.366) 1.985 6.808 ( 0.188 -2.585 0.402) 2.622 6.862 ( 0.119 -3.521 -0.012) 3.523 7.132 ( -2.105 -1.499 0.296) 2.601 7.203 ( -0.878 -0.287 1.574) 1.825 7.400 ( 0.390 -0.199 -0.840) 0.947 7.447 ( 0.778 -1.424 0.127) 1.628 7.714 ( -0.777 0.184 0.034) 0.799 7.782 ( -1.023 -0.719 -0.399) 1.313 8.010 ( -2.330 0.562 -2.033) 3.143 8.125 ( 0.124 -0.912 2.106) 2.298 8.296 ( -1.012 -0.810 -0.115) 1.302 8.327 ( -0.312 -0.591 0.114) 0.678 9.625 ( 1.643 -0.123 -0.035) 1.648 9.644 ( 1.545 -0.352 -0.142) 1.591 11.295 ( -0.346 -1.041 0.035) 1.097 11.332 ( 0.375 -0.342 0.377) 0.632 11.620 ( -2.731 -1.240 -2.990) 4.235 11.757 ( 0.985 -2.710 2.124) 3.582 12.121 ( -0.786 -0.958 1.271) 1.775 12.241 ( 0.561 0.177 -1.275) 1.404 12.381 ( -0.121 1.872 0.046) 1.876 12.472 ( 1.148 -0.152 0.710) 1.358 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 3.820 -0.590 -0.502) 3.898 0.559 ( -1.928 3.340 1.841) 4.273 0.627 ( 0.498 -0.272 -2.149) 2.223 0.681 ( -0.226 3.019 -0.340) 3.046 0.739 ( -0.240 -1.157 -0.465) 1.270 0.826 ( 0.113 -0.194 1.218) 1.239 0.906 ( 1.742 -0.515 -0.889) 2.023 0.932 ( 0.177 1.032 0.516) 1.167 1.034 ( 1.343 0.244 -0.787) 1.576 1.079 ( 1.814 -2.190 -0.900) 2.983 1.136 ( 1.006 2.482 -1.255) 2.958 1.171 ( 1.393 0.156 3.269) 3.557 1.257 ( 0.579 1.012 0.377) 1.225 1.280 ( -0.136 0.047 -2.378) 2.383 1.364 ( -1.141 -1.443 -1.005) 2.096 1.416 ( -3.706 -1.420 -0.470) 3.996 1.466 ( 1.328 2.500 -1.519) 3.213 1.559 ( -2.898 -1.359 0.732) 3.283 1.653 ( -2.700 -1.001 1.543) 3.267 1.802 ( 0.027 0.687 -1.029) 1.238 1.897 ( 1.162 -1.796 -3.403) 4.019 1.970 ( 1.040 -0.170 -2.600) 2.806 2.067 ( 0.367 2.271 -0.779) 2.429 2.110 ( 0.658 2.900 0.149) 2.977 2.203 ( 0.029 1.091 -2.213) 2.468 2.256 ( 1.767 2.420 -0.429) 3.027 2.357 ( 0.253 -0.161 1.524) 1.553 2.397 ( 1.833 -1.782 -2.948) 3.903 2.458 ( 0.161 -0.321 -1.434) 1.478 2.509 ( 0.709 0.724 -3.515) 3.658 2.581 ( -1.104 -0.315 0.427) 1.225 2.611 ( 0.847 -1.789 -0.634) 2.079 2.699 ( 0.327 1.900 1.222) 2.283 2.745 ( 0.223 -1.490 2.278) 2.731 2.799 ( -1.334 1.584 7.304) 7.592 2.950 ( -0.205 1.020 3.541) 3.691 3.004 ( -2.016 1.202 -0.692) 2.447 3.079 ( -2.177 0.728 2.380) 3.307 3.157 ( 0.703 -0.227 0.716) 1.029 3.237 ( 0.213 -4.001 0.081) 4.007 3.455 ( 1.659 -2.266 -0.621) 2.877 3.617 ( 1.186 0.880 1.530) 2.127 3.843 ( -0.688 2.472 -0.139) 2.570 3.945 ( 2.817 3.504 0.497) 4.524 3.996 ( 0.166 3.642 1.123) 3.814 4.046 ( -1.903 4.234 -1.707) 4.946 4.225 ( -0.304 -1.260 -1.376) 1.890 4.294 ( -0.239 0.254 -0.927) 0.991 4.557 ( 0.533 2.282 0.285) 2.361 4.655 ( 0.622 1.499 -0.115) 1.627 5.017 ( -0.217 -1.192 0.859) 1.485 5.069 ( 1.376 -0.208 -0.903) 1.659 5.505 ( 2.835 1.184 -1.202) 3.299 5.626 ( -1.020 1.461 -1.209) 2.154 5.874 ( 0.420 -1.497 0.705) 1.707 6.005 ( -1.449 2.782 2.168) 3.813 6.108 ( -0.137 -2.023 -1.220) 2.366 6.253 ( 2.589 1.935 -0.676) 3.302 6.406 ( -1.406 0.148 0.974) 1.717 6.472 ( -1.176 -1.068 -0.530) 1.674 6.638 ( -1.139 -2.394 1.423) 3.009 6.708 ( -0.003 -2.029 0.189) 2.038 6.814 ( -0.031 -1.294 0.112) 1.300 6.857 ( -0.441 -2.672 -0.303) 2.725 7.103 ( -1.067 -2.056 -0.273) 2.332 7.198 ( -0.855 -0.489 -0.228) 1.012 7.393 ( 0.254 0.021 -0.685) 0.731 7.463 ( 0.210 -0.930 0.619) 1.137 7.713 ( 0.612 -1.028 0.109) 1.201 7.754 ( -1.541 -1.510 -0.242) 2.171 7.974 ( -0.494 1.319 -0.085) 1.411 8.132 ( -0.900 -0.589 0.362) 1.135 8.278 ( -0.547 -0.928 -0.293) 1.116 8.320 ( -0.241 -0.778 -0.460) 0.936 9.650 ( 1.226 0.013 0.019) 1.226 9.665 ( 0.884 -0.460 0.026) 0.997 11.291 ( -0.170 -1.206 0.073) 1.220 11.341 ( 0.113 -0.009 0.014) 0.114 11.564 ( -0.823 -1.312 -0.643) 1.677 11.777 ( -0.237 -2.578 0.147) 2.593 12.123 ( -0.742 -1.036 1.363) 1.866 12.233 ( 0.339 0.307 -1.075) 1.168 12.388 ( 0.389 1.425 0.379) 1.525 12.491 ( 0.442 -0.148 -0.036) 0.468 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 2.328 1.870 1.035) 3.160 0.509 ( -4.132 3.868 -0.324) 5.669 0.639 ( 2.483 0.664 -1.377) 2.916 0.680 ( 0.168 1.903 -0.563) 1.991 0.736 ( -0.161 -1.166 1.183) 1.669 0.828 ( -1.022 -0.532 0.625) 1.311 0.918 ( 0.670 -1.538 -1.305) 2.125 0.940 ( 0.099 1.329 0.180) 1.345 1.034 ( -0.275 -0.535 -0.467) 0.762 1.092 ( 0.540 -0.642 -2.126) 2.286 1.128 ( 1.316 0.469 -1.397) 1.976 1.181 ( -3.978 -0.120 -0.014) 3.980 1.235 ( -0.335 -0.227 -3.563) 3.586 1.267 ( -1.101 0.616 -1.163) 1.716 1.353 ( 4.477 -2.758 1.653) 5.512 1.383 ( -0.447 -0.788 -0.267) 0.945 1.458 ( 0.338 2.562 -3.289) 4.183 1.519 ( -2.081 0.016 0.352) 2.111 1.659 ( -0.212 -1.445 2.309) 2.732 1.786 ( 0.354 0.276 -1.346) 1.419 1.885 ( 2.770 -1.274 -4.421) 5.370 1.944 ( 0.639 -1.269 -4.649) 4.861 2.051 ( -0.188 0.889 -2.608) 2.762 2.097 ( -0.551 1.477 -2.606) 3.046 2.146 ( -2.239 1.290 -0.773) 2.698 2.294 ( -1.248 1.408 -1.022) 2.141 2.333 ( -1.009 0.821 -3.014) 3.282 2.370 ( -0.442 -0.125 -0.907) 1.017 2.442 ( 1.779 0.364 -1.022) 2.083 2.486 ( 2.113 3.837 -2.461) 5.024 2.560 ( -1.074 -1.702 -0.743) 2.145 2.632 ( -1.790 -1.350 -0.419) 2.281 2.715 ( -0.873 0.880 2.524) 2.812 2.759 ( 0.561 -0.108 2.467) 2.533 2.838 ( -0.804 0.881 3.153) 3.371 2.933 ( 0.586 0.957 -0.428) 1.201 3.059 ( -2.758 -0.564 3.077) 4.171 3.106 ( 2.431 -0.534 3.432) 4.239 3.192 ( 0.757 1.215 6.082) 6.248 3.306 ( 2.009 -2.903 7.497) 8.286 3.518 ( 2.768 -3.678 4.087) 6.156 3.618 ( -2.034 0.367 0.150) 2.072 3.839 ( 0.413 3.140 0.093) 3.168 3.957 ( -2.580 4.291 -3.161) 5.921 3.978 ( -0.970 3.659 -0.115) 3.787 4.026 ( 1.924 4.387 -0.447) 4.811 4.199 ( 0.198 -1.055 -2.492) 2.714 4.267 ( -0.279 0.244 -2.850) 2.874 4.573 ( 0.149 2.253 1.200) 2.557 4.655 ( -0.134 1.406 -0.661) 1.559 5.017 ( -0.770 -1.053 0.604) 1.437 5.075 ( 0.708 -0.006 -0.938) 1.175 5.539 ( 1.365 2.081 -0.329) 2.510 5.592 ( -0.130 2.269 -1.943) 2.990 5.894 ( -0.430 -3.225 1.718) 3.679 6.000 ( -0.842 0.413 1.102) 1.447 6.108 ( 0.849 -1.069 0.283) 1.394 6.263 ( 0.552 2.120 -1.939) 2.926 6.405 ( -0.574 0.295 1.525) 1.656 6.469 ( 0.777 -1.073 0.506) 1.419 6.633 ( -1.327 -2.319 1.374) 3.004 6.711 ( 0.178 -2.465 0.080) 2.472 6.811 ( -0.259 -0.163 -0.154) 0.343 6.844 ( 0.123 -2.115 -0.841) 2.280 7.093 ( 0.089 -2.210 -0.186) 2.220 7.169 ( -0.712 -0.512 -2.063) 2.242 7.401 ( 0.921 0.294 0.453) 1.067 7.458 ( -0.800 -0.539 -0.460) 1.069 7.731 ( -1.055 -1.966 0.372) 2.262 7.737 ( 1.504 -1.774 0.486) 2.376 7.985 ( 0.700 1.153 1.491) 2.010 8.109 ( -0.965 -0.218 -1.435) 1.742 8.273 ( 0.175 -0.960 -0.078) 0.979 8.310 ( 0.059 -0.800 -0.980) 1.267 9.664 ( 0.050 -0.059 0.236) 0.248 9.673 ( 0.032 -0.369 0.017) 0.371 11.292 ( 0.007 -1.207 0.252) 1.233 11.332 ( -0.342 -0.236 -0.894) 0.986 11.583 ( 1.648 -1.278 2.426) 3.199 11.755 ( -1.037 -2.456 -1.943) 3.299 12.126 ( -0.834 -1.121 1.501) 2.051 12.231 ( 0.793 0.282 -0.944) 1.265 12.399 ( 0.016 1.469 0.923) 1.735 12.484 ( -0.379 0.000 -1.069) 1.134 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -4.304 2.875 1.070) 5.285 0.475 ( 0.883 0.374 1.946) 2.170 0.635 ( -1.943 0.365 -3.740) 4.231 0.667 ( 1.927 2.962 -0.974) 3.666 0.768 ( -0.361 1.610 2.028) 2.615 0.817 ( -0.713 0.166 0.352) 0.812 0.881 ( -1.798 -1.102 -2.474) 3.251 0.923 ( -0.062 1.106 -2.967) 3.167 1.018 ( -1.430 0.249 -1.536) 2.113 1.053 ( -2.145 1.059 0.066) 2.393 1.097 ( -0.657 0.384 -2.199) 2.327 1.150 ( -1.775 2.178 -1.467) 3.170 1.193 ( 0.101 -1.525 -0.895) 1.771 1.242 ( -0.134 1.429 1.161) 1.846 1.368 ( -1.457 -0.347 -0.584) 1.607 1.431 ( 2.052 1.613 -1.455) 2.988 1.451 ( 1.266 -0.723 -1.203) 1.890 1.543 ( 5.978 -2.584 1.790) 6.754 1.680 ( 0.521 -2.231 1.091) 2.538 1.776 ( -0.097 -1.084 -2.272) 2.519 1.869 ( 1.260 0.842 -6.173) 6.357 1.900 ( 1.729 -0.594 -4.215) 4.595 2.007 ( -1.052 -0.101 -1.134) 1.551 2.061 ( -1.540 1.104 -1.034) 2.159 2.094 ( -4.121 4.465 0.244) 6.081 2.211 ( -1.852 -0.685 -0.890) 2.166 2.327 ( -1.610 1.921 0.251) 2.520 2.354 ( 0.399 -0.668 0.192) 0.801 2.439 ( -1.112 0.509 -1.266) 1.760 2.528 ( 3.331 -0.734 -0.402) 3.434 2.555 ( -1.086 -0.895 -0.986) 1.719 2.594 ( 2.098 2.428 0.903) 3.334 2.705 ( -1.778 0.832 1.520) 2.483 2.816 ( 0.868 -0.317 0.089) 0.928 2.850 ( -0.424 0.438 3.028) 3.089 2.956 ( 1.687 0.801 -0.460) 1.923 3.055 ( -1.395 -1.064 2.375) 2.953 3.123 ( 0.512 -1.703 -0.321) 1.807 3.322 ( 1.240 1.129 8.057) 8.230 3.407 ( 0.457 0.741 3.364) 3.475 3.571 ( -2.212 -1.780 2.852) 4.024 3.625 ( 0.586 -3.019 5.475) 6.280 3.828 ( -1.468 3.669 -1.409) 4.196 3.895 ( 0.536 4.569 -2.235) 5.114 3.954 ( -1.264 3.266 -0.298) 3.515 4.042 ( 1.158 1.971 -1.324) 2.642 4.178 ( 0.029 0.381 -1.836) 1.875 4.225 ( 0.158 -0.394 -3.601) 3.626 4.585 ( -0.688 2.127 1.383) 2.629 4.636 ( -0.814 1.370 -1.030) 1.897 5.004 ( -1.416 -0.871 0.227) 1.678 5.076 ( 0.372 -0.234 -0.469) 0.643 5.529 ( -1.111 1.776 -0.541) 2.163 5.579 ( 0.276 1.824 -2.147) 2.830 5.893 ( -1.038 -1.165 1.352) 2.064 6.021 ( 1.129 0.294 1.441) 1.854 6.125 ( 0.099 -1.499 0.429) 1.562 6.245 ( 0.415 3.133 -1.550) 3.520 6.411 ( -0.640 -0.077 1.189) 1.352 6.498 ( 1.887 -1.646 -0.101) 2.506 6.633 ( -0.406 -2.698 1.777) 3.256 6.715 ( 0.199 -2.849 0.115) 2.859 6.800 ( -0.294 -0.740 -0.481) 0.930 6.852 ( 1.095 -1.762 -0.085) 2.076 7.098 ( 0.544 -1.483 0.006) 1.580 7.140 ( 0.385 -0.569 -1.948) 2.065 7.418 ( -0.686 0.173 -0.118) 0.717 7.445 ( 0.922 -0.403 0.095) 1.011 7.719 ( -0.769 -1.567 0.341) 1.778 7.768 ( 1.398 -1.775 0.072) 2.260 8.032 ( 1.918 0.455 2.469) 3.160 8.072 ( -0.520 -0.007 -2.241) 2.300 8.278 ( 0.389 -0.758 -0.170) 0.869 8.302 ( 0.521 -0.744 -1.033) 1.376 9.653 ( -1.369 -0.257 0.090) 1.396 9.669 ( -0.676 -0.295 0.104) 0.745 11.295 ( -0.084 -0.835 0.281) 0.885 11.320 ( 0.279 -0.866 -0.514) 1.045 11.657 ( 2.363 -1.280 3.096) 4.099 11.702 ( -1.222 -2.313 -3.221) 4.150 12.129 ( -0.964 -1.161 1.645) 2.233 12.236 ( 1.097 0.173 -1.218) 1.648 12.409 ( -0.558 1.815 1.545) 2.448 12.459 ( -0.600 0.143 -1.368) 1.501 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -2.276 -0.498 2.334) 3.298 0.514 ( -2.947 -0.838 -1.459) 3.394 0.531 ( -1.201 0.452 -0.481) 1.370 0.676 ( -0.618 6.916 -0.689) 6.977 0.733 ( -2.577 3.201 1.079) 4.248 0.814 ( 0.763 0.813 -1.824) 2.138 0.841 ( -1.017 0.634 -1.042) 1.588 0.899 ( 0.402 1.488 -1.340) 2.042 0.965 ( -2.698 -0.593 -1.310) 3.057 1.009 ( -2.297 1.658 -0.321) 2.851 1.063 ( -0.834 0.690 -0.725) 1.303 1.128 ( -0.409 4.128 1.181) 4.313 1.204 ( 1.928 0.910 0.045) 2.132 1.272 ( -0.665 3.694 2.351) 4.429 1.343 ( -0.100 0.050 -0.094) 0.147 1.411 ( -1.468 -0.754 -1.926) 2.536 1.484 ( 3.487 0.681 -0.373) 3.572 1.627 ( -0.115 1.158 -0.946) 1.500 1.693 ( -1.235 1.716 -0.446) 2.161 1.775 ( 5.562 -3.427 -0.085) 6.533 1.825 ( -0.041 -0.063 -2.390) 2.391 1.874 ( -0.094 0.033 -2.181) 2.184 1.989 ( -3.176 2.664 1.745) 4.497 2.033 ( 0.899 1.240 0.508) 1.614 2.076 ( 1.710 0.106 -0.461) 1.774 2.193 ( -1.472 -0.753 1.776) 2.427 2.286 ( -1.491 0.931 -1.356) 2.220 2.367 ( -0.331 0.710 -0.778) 1.104 2.426 ( 0.277 -2.713 1.034) 2.916 2.521 ( -0.220 -1.642 -0.797) 1.838 2.562 ( -0.524 -1.842 -0.214) 1.927 2.624 ( -0.791 -0.960 0.922) 1.548 2.746 ( 2.981 4.076 2.853) 5.800 2.801 ( -0.461 -0.810 -0.228) 0.959 2.890 ( 1.186 1.216 1.120) 2.035 2.965 ( 0.208 0.909 -0.172) 0.949 3.068 ( 0.843 -0.912 1.275) 1.779 3.139 ( 0.954 0.402 0.164) 1.048 3.323 ( -2.769 1.322 -3.177) 4.417 3.441 ( -0.647 0.379 1.784) 1.935 3.564 ( -1.528 0.298 0.418) 1.612 3.664 ( -2.467 -2.079 2.545) 4.110 3.828 ( 1.905 0.990 1.918) 2.879 3.870 ( -0.909 1.587 -1.560) 2.404 3.952 ( 0.669 4.663 0.218) 4.716 4.053 ( 1.139 0.557 0.270) 1.297 4.140 ( -1.383 0.513 -2.300) 2.733 4.214 ( 1.009 -0.265 -0.193) 1.061 4.579 ( -1.012 1.967 0.007) 2.212 4.611 ( -1.122 1.920 -0.032) 2.224 4.978 ( -1.813 -1.112 0.126) 2.131 5.077 ( 0.133 -0.797 -0.111) 0.815 5.481 ( -2.852 0.360 -2.887) 4.074 5.568 ( 0.986 0.736 0.729) 1.430 5.902 ( 0.789 1.999 -0.029) 2.149 6.053 ( 0.571 0.921 1.212) 1.626 6.114 ( -1.121 0.876 -0.258) 1.446 6.248 ( 0.847 2.940 -0.480) 3.097 6.415 ( -0.361 -1.214 1.053) 1.647 6.521 ( 1.916 -1.441 -1.176) 2.670 6.659 ( 0.738 -3.780 1.350) 4.081 6.723 ( 0.325 -3.049 0.410) 3.094 6.801 ( 0.641 -1.662 0.234) 1.797 6.865 ( 0.132 -2.742 0.254) 2.757 7.112 ( 1.260 -0.167 0.146) 1.279 7.145 ( 1.341 -0.836 -0.057) 1.581 7.392 ( -0.903 -0.689 -0.946) 1.478 7.469 ( 0.418 -0.535 0.720) 0.990 7.715 ( 0.174 -0.293 -0.095) 0.354 7.785 ( 0.847 -0.698 -0.400) 1.168 8.025 ( -0.853 0.126 -2.205) 2.368 8.114 ( 2.846 -0.455 2.496) 3.813 8.282 ( 0.423 -0.322 -0.173) 0.560 8.303 ( 0.594 -0.854 -0.724) 1.268 9.626 ( -1.742 -0.182 -0.025) 1.752 9.651 ( -1.487 -0.630 0.009) 1.615 11.296 ( 0.019 -0.317 0.134) 0.345 11.329 ( 0.670 -1.428 0.223) 1.593 11.626 ( -1.684 -1.723 -3.491) 4.242 11.741 ( 2.360 -1.540 2.360) 3.676 12.132 ( -1.170 -1.223 1.823) 2.487 12.237 ( 0.956 0.029 -1.596) 1.861 12.402 ( -1.445 1.578 0.073) 2.141 12.454 ( 0.587 0.612 0.758) 1.138 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( -2.639 -0.977 -4.480) 5.291 0.434 ( -0.495 -0.772 3.266) 3.392 0.594 ( 0.571 3.100 5.567) 6.398 0.649 ( -1.989 5.450 1.905) 6.106 0.736 ( -0.653 2.428 2.357) 3.446 0.785 ( -3.020 1.195 -1.518) 3.586 0.829 ( 1.931 1.182 -1.283) 2.602 0.877 ( -0.930 1.470 -0.040) 1.740 0.925 ( -1.235 1.872 0.280) 2.260 0.984 ( -0.763 1.331 0.334) 1.571 1.062 ( 0.286 -0.010 0.684) 0.741 1.162 ( 1.315 8.854 2.505) 9.295 1.215 ( 0.466 2.712 -1.653) 3.210 1.264 ( -1.385 2.944 -1.234) 3.479 1.334 ( -1.405 2.479 2.026) 3.496 1.403 ( 0.341 1.039 2.588) 2.810 1.530 ( 2.208 -0.025 -0.733) 2.326 1.589 ( -1.938 4.783 -0.943) 5.246 1.665 ( -1.608 1.350 1.274) 2.456 1.776 ( -1.469 3.251 -1.060) 3.721 1.852 ( 0.498 -0.566 1.231) 1.444 1.896 ( 3.641 -2.398 -1.677) 4.671 1.994 ( 1.826 -2.134 2.179) 3.554 2.051 ( -0.523 0.679 1.706) 1.909 2.121 ( 2.672 -1.595 0.114) 3.114 2.201 ( -1.080 -1.297 2.775) 3.248 2.270 ( 0.151 1.331 0.554) 1.449 2.340 ( -0.635 0.676 -0.993) 1.358 2.416 ( -1.990 -4.617 -0.580) 5.061 2.516 ( -0.934 -1.354 0.310) 1.674 2.519 ( -1.438 -2.683 -1.088) 3.232 2.639 ( 1.121 0.540 0.618) 1.389 2.789 ( -0.186 -0.709 -0.943) 1.194 2.805 ( 0.731 1.365 -0.805) 1.745 2.906 ( 0.257 2.000 -0.751) 2.152 2.985 ( 1.013 -0.047 2.318) 2.530 3.117 ( 1.675 1.177 1.981) 2.848 3.151 ( 0.545 1.618 0.157) 1.715 3.237 ( -1.827 2.052 -3.193) 4.213 3.398 ( -0.629 -0.643 -5.672) 5.742 3.531 ( -0.166 1.191 -3.616) 3.810 3.616 ( -2.537 -1.023 -1.932) 3.349 3.833 ( -0.963 1.726 -0.428) 2.023 3.915 ( 2.999 -1.685 2.619) 4.323 3.960 ( -1.265 2.600 0.928) 3.036 4.053 ( -0.160 1.843 -1.919) 2.666 4.128 ( -0.026 -0.419 3.254) 3.281 4.237 ( 0.412 0.247 1.497) 1.572 4.561 ( -0.311 1.664 -0.408) 1.741 4.598 ( -1.006 2.626 0.597) 2.875 4.948 ( -1.765 -1.793 0.471) 2.560 5.076 ( 0.020 -1.126 -0.396) 1.193 5.406 ( -1.994 -1.085 -0.825) 2.415 5.615 ( 2.210 0.107 0.689) 2.317 5.912 ( 0.996 4.148 -0.452) 4.290 6.051 ( -1.568 2.086 0.079) 2.611 6.109 ( 1.089 2.953 -0.540) 3.194 6.242 ( -0.141 2.111 -2.213) 3.062 6.427 ( -0.076 -2.666 1.677) 3.151 6.542 ( 1.852 -1.402 -0.737) 2.437 6.675 ( 0.284 -3.788 -0.071) 3.799 6.731 ( -0.085 -2.761 0.276) 2.776 6.819 ( 0.624 -3.441 0.331) 3.513 6.863 ( -0.421 -3.144 -0.017) 3.173 7.145 ( 1.569 0.190 0.920) 1.828 7.172 ( 0.632 -0.908 1.407) 1.790 7.375 ( -0.136 -1.495 -0.347) 1.541 7.465 ( -0.976 -0.962 -0.404) 1.428 7.725 ( 1.007 1.227 0.125) 1.592 7.793 ( 0.671 0.322 -0.258) 0.788 7.995 ( -0.253 0.267 -0.706) 0.795 8.173 ( 1.310 -1.166 0.699) 1.888 8.290 ( 0.471 -0.250 0.021) 0.534 8.307 ( 0.416 -0.491 0.491) 0.809 9.601 ( -0.974 -0.099 -0.032) 0.980 9.623 ( -1.585 -0.778 -0.135) 1.771 11.300 ( 0.256 -0.441 0.070) 0.515 11.338 ( 0.058 -0.948 -0.036) 0.951 11.579 ( -0.199 -1.245 -0.764) 1.474 11.786 ( 0.821 -1.610 0.457) 1.864 12.131 ( -1.451 -1.318 1.887) 2.721 12.234 ( 0.974 -0.103 -1.628) 1.900 12.381 ( -0.908 1.505 0.209) 1.770 12.474 ( 0.386 0.328 0.358) 0.620 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 3.307 0.505 -0.708) 3.419 0.370 ( -1.792 -3.544 -1.166) 4.139 0.654 ( -3.103 0.906 3.279) 4.604 0.709 ( -0.367 0.731 -0.595) 1.011 0.745 ( 0.200 -0.626 1.137) 1.313 0.825 ( 1.542 3.416 1.369) 3.990 0.873 ( 1.812 -0.595 -0.766) 2.055 0.953 ( 0.350 1.539 0.447) 1.641 0.979 ( -0.214 3.080 2.508) 3.977 1.024 ( -0.306 2.735 2.257) 3.559 1.059 ( -0.087 -1.585 2.244) 2.748 1.167 ( 0.631 -2.721 -0.814) 2.910 1.219 ( -1.920 0.192 0.356) 1.962 1.316 ( -0.422 1.552 0.209) 1.622 1.423 ( 0.466 0.022 1.577) 1.645 1.513 ( -0.279 -0.011 -1.485) 1.511 1.565 ( 0.702 7.162 1.491) 7.349 1.638 ( -0.579 1.571 -0.153) 1.681 1.743 ( 3.432 1.507 0.980) 3.874 1.802 ( -2.507 -1.601 -0.969) 3.128 1.895 ( 2.774 2.861 2.116) 4.512 1.932 ( -0.018 0.027 5.704) 5.704 1.964 ( -1.689 1.818 -0.936) 2.652 2.094 ( 0.045 -1.329 2.330) 2.683 2.110 ( -0.306 0.252 0.675) 0.782 2.164 ( -1.815 -3.904 1.676) 4.620 2.202 ( 0.893 -3.506 2.466) 4.379 2.348 ( -1.608 2.572 -0.669) 3.107 2.384 ( 0.235 -0.805 1.352) 1.591 2.425 ( -0.086 -3.181 -0.971) 3.327 2.545 ( 2.338 1.590 1.671) 3.284 2.651 ( -2.756 -0.074 -1.286) 3.042 2.763 ( 0.884 0.577 -1.136) 1.551 2.782 ( 0.776 -0.516 -2.175) 2.367 2.879 ( -0.852 -0.857 -1.313) 1.785 3.039 ( -0.507 1.539 0.191) 1.632 3.117 ( -3.254 0.746 -2.397) 4.110 3.181 ( 0.271 -0.292 -1.877) 1.919 3.282 ( 2.344 1.229 -6.143) 6.689 3.313 ( 2.968 -0.202 -2.340) 3.784 3.520 ( -0.181 1.744 -3.164) 3.617 3.550 ( -0.035 -1.003 -2.575) 2.764 3.841 ( 0.627 0.870 -0.154) 1.084 3.876 ( -2.774 -1.395 -0.843) 3.217 4.001 ( 1.976 0.416 1.478) 2.502 4.101 ( -0.800 1.981 0.511) 2.196 4.165 ( 0.871 -0.857 4.819) 4.972 4.247 ( -1.426 0.009 0.694) 1.586 4.596 ( 0.805 1.125 0.423) 1.447 4.631 ( -0.982 1.409 -0.469) 1.781 4.917 ( 0.056 -0.818 2.066) 2.223 5.048 ( -0.038 -0.580 -0.834) 1.017 5.409 ( 2.361 -0.148 3.131) 3.924 5.608 ( -1.230 -0.345 -1.647) 2.085 6.017 ( 0.572 3.485 0.417) 3.556 6.078 ( -0.104 0.263 -0.575) 0.640 6.143 ( -0.879 0.618 -0.073) 1.077 6.240 ( 0.864 1.555 -3.563) 3.983 6.406 ( 0.323 -0.653 1.216) 1.418 6.529 ( 0.664 -1.022 -1.190) 1.703 6.597 ( -1.116 -3.093 1.584) 3.649 6.692 ( -0.040 -0.899 -0.508) 1.034 6.770 ( -0.289 -0.698 -0.828) 1.121 6.793 ( -0.302 -2.133 -1.056) 2.399 7.163 ( -1.303 -0.319 1.872) 2.303 7.183 ( 0.108 -0.251 1.444) 1.470 7.353 ( 0.711 -0.594 0.253) 0.960 7.429 ( 0.179 -0.431 -1.613) 1.679 7.765 ( -0.228 0.575 0.620) 0.876 7.807 ( 0.297 0.275 -0.259) 0.481 8.013 ( 1.211 0.005 1.674) 2.066 8.141 ( -1.264 -0.715 -1.746) 2.270 8.301 ( 0.255 0.211 0.671) 0.748 8.311 ( -0.123 -0.491 0.742) 0.898 9.589 ( -0.116 -0.142 0.116) 0.217 9.599 ( 0.234 -0.144 -0.094) 0.290 11.296 ( 0.238 -0.101 0.049) 0.264 11.316 ( -0.683 -0.578 -0.463) 1.008 11.587 ( 1.777 -0.640 2.515) 3.145 11.750 ( -1.194 -0.745 -1.649) 2.168 12.110 ( -1.177 -0.388 1.392) 1.864 12.232 ( 1.423 -0.067 -1.758) 2.263 12.408 ( 0.500 0.745 0.794) 1.198 12.470 ( -0.984 0.171 -0.688) 1.213 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -1.547 -1.897 -2.702) 3.645 0.433 ( 6.175 -1.153 1.198) 6.395 0.639 ( -3.001 0.081 3.689) 4.756 0.710 ( 1.005 1.770 -0.141) 2.041 0.770 ( 1.067 -1.607 0.783) 2.082 0.848 ( -0.714 1.757 -0.795) 2.057 0.916 ( 1.824 0.504 -0.249) 1.908 0.923 ( 0.948 0.421 -2.013) 2.264 0.998 ( -0.345 3.829 1.820) 4.254 1.066 ( 0.621 -0.615 1.934) 2.122 1.093 ( 1.429 0.810 1.484) 2.214 1.162 ( 0.847 -0.178 -0.335) 0.928 1.226 ( 0.097 0.610 1.845) 1.946 1.302 ( -1.894 -1.748 0.956) 2.749 1.432 ( -2.941 5.169 0.642) 5.982 1.495 ( -0.304 0.981 0.177) 1.043 1.507 ( -3.216 2.443 -0.182) 4.043 1.632 ( -3.708 -2.274 -0.364) 4.365 1.742 ( -2.056 -0.508 0.955) 2.323 1.787 ( -1.763 -2.087 0.071) 2.734 1.915 ( 2.337 1.241 0.794) 2.763 1.985 ( 2.478 3.442 -0.114) 4.243 2.051 ( 1.342 2.441 7.357) 7.867 2.096 ( 0.619 -0.070 1.822) 1.925 2.131 ( -0.344 -0.587 2.521) 2.611 2.196 ( 0.458 -2.112 3.816) 4.386 2.261 ( 1.682 -0.341 1.449) 2.246 2.327 ( 1.693 -1.823 -0.006) 2.488 2.371 ( -0.842 -1.037 0.018) 1.336 2.469 ( 2.063 -1.506 3.230) 4.118 2.571 ( -2.824 -0.083 -1.167) 3.057 2.610 ( 1.645 0.899 1.538) 2.425 2.733 ( 0.934 0.929 -5.688) 5.838 2.757 ( -0.021 0.029 -4.547) 4.547 2.854 ( -1.051 0.998 -0.381) 1.498 2.996 ( -3.190 2.536 -1.548) 4.360 3.049 ( -2.101 -1.493 0.183) 2.584 3.117 ( 0.034 -1.937 -7.202) 7.458 3.263 ( 0.256 0.991 -1.937) 2.191 3.345 ( 1.495 0.017 -3.984) 4.255 3.491 ( 0.731 1.852 -0.820) 2.153 3.520 ( 0.316 -0.819 -2.666) 2.807 3.829 ( -0.211 -0.132 -0.146) 0.289 3.902 ( 4.347 0.662 1.438) 4.626 4.049 ( -0.628 1.695 0.694) 1.936 4.067 ( -0.508 0.355 -0.370) 0.722 4.226 ( -0.788 0.362 1.966) 2.148 4.247 ( 0.955 -1.022 3.095) 3.396 4.607 ( -0.472 1.485 -0.721) 1.716 4.630 ( 1.672 0.905 0.815) 2.069 4.952 ( 0.699 -0.807 2.101) 2.357 5.038 ( 0.664 -0.359 -1.402) 1.592 5.518 ( 3.655 0.528 3.457) 5.058 5.548 ( -1.096 -0.610 -2.419) 2.725 6.008 ( -2.722 3.333 0.093) 4.304 6.061 ( -0.675 -1.189 -0.360) 1.414 6.117 ( -1.681 1.286 -0.127) 2.121 6.231 ( 2.418 1.639 -2.871) 4.095 6.427 ( 0.368 0.435 0.894) 1.060 6.517 ( 0.089 -1.405 -2.012) 2.456 6.595 ( -1.742 -2.752 2.342) 4.011 6.678 ( -0.639 -0.770 -0.542) 1.138 6.761 ( 0.362 -0.807 -0.588) 1.061 6.785 ( 0.669 -2.467 -0.556) 2.616 7.148 ( -2.517 -0.344 1.252) 2.832 7.193 ( -1.024 -0.234 2.000) 2.260 7.379 ( 1.654 -0.329 0.330) 1.718 7.418 ( 0.799 -0.585 -1.813) 2.066 7.753 ( -1.843 0.618 0.617) 2.040 7.796 ( -1.139 -0.117 -0.423) 1.221 8.064 ( 1.166 -0.073 2.145) 2.443 8.082 ( -2.000 -0.541 -2.141) 2.979 8.302 ( -0.944 -0.056 0.412) 1.031 8.317 ( -0.095 -0.381 0.673) 0.779 9.598 ( 1.042 -0.076 0.086) 1.048 9.614 ( 1.452 -0.160 -0.157) 1.469 11.292 ( -0.747 -0.174 -0.295) 0.822 11.309 ( 0.424 -0.548 0.331) 0.768 11.657 ( 1.803 -0.789 3.289) 3.833 11.687 ( -2.557 -0.785 -3.011) 4.027 12.107 ( -0.975 -0.363 1.259) 1.633 12.238 ( 1.554 -0.080 -1.680) 2.290 12.428 ( -0.327 1.400 0.183) 1.449 12.445 ( 0.140 -0.405 0.062) 0.433 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 4.003 -0.950 -2.264) 4.695 0.530 ( 4.037 -0.722 -0.229) 4.107 0.640 ( -2.482 -0.209 4.076) 4.777 0.730 ( 0.793 2.569 0.262) 2.701 0.780 ( -1.543 -0.302 -1.980) 2.528 0.808 ( 0.948 -1.339 -0.064) 1.642 0.897 ( 0.575 1.243 -2.528) 2.875 0.943 ( -0.255 0.557 -0.223) 0.652 1.038 ( 2.061 2.215 1.593) 3.419 1.087 ( 0.627 0.128 -0.154) 0.659 1.108 ( 0.174 -0.146 -0.922) 0.950 1.204 ( 1.187 2.332 2.830) 3.854 1.238 ( -0.631 -0.707 0.526) 1.084 1.284 ( -1.560 -3.278 1.170) 3.814 1.351 ( -4.004 5.847 0.595) 7.111 1.475 ( -3.969 -2.309 -0.296) 4.601 1.504 ( -1.688 -2.520 -0.625) 3.097 1.536 ( -0.345 -0.860 0.119) 0.934 1.712 ( -2.055 1.874 0.161) 2.786 1.799 ( 0.789 0.141 1.807) 1.977 1.932 ( -0.094 1.156 -1.918) 2.242 1.982 ( -0.780 -0.602 -1.844) 2.091 2.092 ( 0.342 2.210 1.200) 2.537 2.152 ( 0.229 -0.611 1.334) 1.485 2.181 ( 0.856 0.693 3.089) 3.279 2.271 ( 2.459 0.315 2.418) 3.462 2.289 ( 1.411 1.271 3.454) 3.942 2.353 ( 2.166 -2.677 -0.800) 3.535 2.429 ( 2.638 0.331 3.249) 4.198 2.496 ( 0.234 0.033 -3.044) 3.053 2.541 ( -0.260 -1.443 0.184) 1.477 2.658 ( 0.503 0.584 2.260) 2.387 2.678 ( -0.263 -0.978 -2.237) 2.456 2.731 ( 2.221 -0.107 -1.541) 2.705 2.818 ( -2.093 3.828 0.112) 4.365 2.948 ( -0.931 1.231 0.133) 1.549 3.026 ( -1.620 -2.379 0.160) 2.883 3.060 ( 0.587 -2.429 -2.743) 3.710 3.209 ( -3.205 1.566 -1.984) 4.082 3.266 ( -2.582 -0.280 -5.442) 6.030 3.467 ( -1.338 -0.200 -2.960) 3.254 3.559 ( 3.348 0.261 2.464) 4.165 3.870 ( 3.274 1.380 1.229) 3.759 3.969 ( -0.775 -0.126 -1.153) 1.395 4.013 ( 2.598 2.688 0.251) 3.747 4.100 ( 0.611 0.401 1.529) 1.694 4.222 ( -0.713 -0.454 0.233) 0.877 4.294 ( 0.485 -0.000 1.562) 1.636 4.596 ( 0.260 1.431 -0.599) 1.573 4.668 ( 1.436 1.286 0.696) 2.049 4.981 ( 0.158 -0.825 1.664) 1.864 5.044 ( 1.932 -0.290 -1.384) 2.394 5.497 ( 1.142 0.189 -2.592) 2.839 5.618 ( 2.190 -0.396 1.209) 2.532 5.944 ( -3.977 3.406 -0.218) 5.241 6.039 ( -1.863 -2.215 -0.060) 2.895 6.096 ( -1.264 0.800 1.314) 1.991 6.248 ( 2.728 0.883 -2.221) 3.627 6.436 ( 0.028 1.374 0.239) 1.395 6.489 ( -0.331 -0.213 -1.931) 1.971 6.594 ( -1.826 -2.161 2.694) 3.907 6.666 ( -0.426 -1.663 0.107) 1.720 6.771 ( 1.145 -0.223 -0.060) 1.168 6.799 ( 1.086 -2.598 -0.054) 2.816 7.111 ( -2.766 -0.508 0.532) 2.862 7.198 ( -0.977 -0.179 1.621) 1.901 7.401 ( 0.742 0.334 -1.190) 1.442 7.419 ( 1.296 -1.147 -0.113) 1.734 7.726 ( -1.888 0.775 0.468) 2.094 7.762 ( -2.029 -1.042 -0.551) 2.347 8.021 ( -1.569 0.387 -1.557) 2.244 8.110 ( 0.455 -0.500 1.803) 1.925 8.284 ( -1.183 -0.291 -0.123) 1.224 8.318 ( -0.484 -0.284 0.211) 0.600 9.624 ( 1.668 -0.009 0.118) 1.673 9.638 ( 1.538 -0.212 -0.301) 1.582 11.278 ( -0.537 -0.492 -0.096) 0.735 11.326 ( 0.623 -0.161 0.777) 1.009 11.600 ( -2.728 -0.549 -3.072) 4.145 11.717 ( 0.856 -1.114 2.334) 2.724 12.107 ( -0.850 -0.385 1.270) 1.576 12.241 ( 1.050 -0.047 -1.735) 2.029 12.409 ( -0.407 0.758 -0.439) 0.966 12.472 ( 0.956 0.076 1.049) 1.422 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 5.490 -0.269 -0.247) 5.502 0.572 ( 3.418 -0.841 -1.836) 3.970 0.630 ( -3.869 0.651 2.681) 4.752 0.715 ( -2.463 -0.885 0.435) 2.653 0.765 ( 1.341 4.210 -0.466) 4.443 0.825 ( 0.097 -0.571 0.123) 0.592 0.887 ( 0.682 -0.079 -0.752) 1.018 0.932 ( 0.195 -2.455 -0.972) 2.647 1.047 ( -0.381 2.526 -2.064) 3.284 1.078 ( 0.079 1.085 0.189) 1.104 1.144 ( 1.699 -0.874 0.988) 2.151 1.184 ( -0.694 -1.046 -2.006) 2.366 1.245 ( -1.389 0.107 2.075) 2.499 1.276 ( -0.691 -1.484 0.122) 1.642 1.322 ( -3.300 -0.260 -0.021) 3.311 1.392 ( -1.382 -1.511 0.831) 2.210 1.496 ( 0.034 1.041 -0.465) 1.140 1.549 ( 0.077 -0.186 0.097) 0.224 1.690 ( -0.488 2.773 -0.407) 2.845 1.820 ( 0.861 -0.500 -0.952) 1.377 1.879 ( -1.619 1.787 -2.964) 3.821 1.954 ( 0.821 -1.920 -3.272) 3.881 2.092 ( -0.127 1.545 -1.275) 2.007 2.145 ( -0.152 -2.527 -2.611) 3.637 2.194 ( -1.569 1.946 0.880) 2.650 2.307 ( 1.373 -0.467 -0.705) 1.612 2.357 ( 1.504 2.245 1.174) 2.946 2.393 ( 2.106 0.369 -3.487) 4.090 2.452 ( 0.776 -0.945 -3.744) 3.938 2.478 ( 2.704 -1.614 1.603) 3.534 2.569 ( 0.529 -0.260 2.440) 2.510 2.625 ( -1.272 1.803 -3.739) 4.341 2.677 ( -0.561 -2.470 0.434) 2.570 2.753 ( 0.083 0.572 3.996) 4.038 2.865 ( -1.380 4.175 6.547) 7.887 2.971 ( 0.024 0.847 0.586) 1.030 3.009 ( 0.448 0.068 3.458) 3.488 3.059 ( 0.794 -3.832 1.973) 4.383 3.154 ( -2.467 0.690 -1.613) 3.028 3.178 ( -1.211 -1.164 0.989) 1.949 3.418 ( -1.201 -1.238 0.031) 1.726 3.634 ( 1.931 0.557 1.209) 2.346 3.900 ( -0.348 2.812 -0.851) 2.958 3.959 ( 1.697 -1.101 0.369) 2.056 4.070 ( 2.248 2.632 0.272) 3.472 4.107 ( -0.525 1.294 -0.619) 1.527 4.206 ( -0.218 -0.480 -1.498) 1.588 4.299 ( -0.287 0.173 -0.795) 0.863 4.602 ( 0.718 1.503 0.088) 1.668 4.689 ( 0.527 1.432 0.063) 1.528 4.996 ( -0.386 -0.666 1.389) 1.588 5.064 ( 1.849 -0.234 -1.185) 2.209 5.525 ( 3.987 0.723 -0.891) 4.149 5.629 ( 0.057 -0.586 -1.168) 1.308 5.880 ( -3.584 1.432 0.433) 3.884 6.001 ( -1.685 -2.153 -0.981) 2.905 6.104 ( -1.043 1.015 2.969) 3.307 6.266 ( 2.291 -0.273 -2.185) 3.178 6.438 ( 0.051 1.444 0.135) 1.451 6.470 ( 0.096 1.431 -0.936) 1.713 6.595 ( -1.767 -1.707 2.586) 3.567 6.661 ( -0.295 -2.139 0.020) 2.159 6.790 ( 0.878 -0.293 0.044) 0.927 6.812 ( 0.546 -1.791 -0.121) 1.876 7.075 ( -1.814 -0.709 0.244) 1.963 7.191 ( -0.861 -0.206 -0.368) 0.959 7.395 ( 0.527 0.149 -0.834) 0.998 7.443 ( 0.753 -0.723 0.589) 1.198 7.705 ( -0.841 0.257 0.208) 0.904 7.724 ( -1.617 -1.264 -0.214) 2.064 7.995 ( -0.357 0.623 -0.137) 0.731 8.121 ( -0.540 -0.380 0.381) 0.762 8.265 ( -0.703 -0.335 -0.189) 0.802 8.307 ( -0.399 -0.408 -0.502) 0.760 9.651 ( 1.193 0.072 0.126) 1.202 9.657 ( 1.007 -0.269 -0.142) 1.052 11.272 ( -0.267 -0.551 0.149) 0.630 11.340 ( 0.164 -0.034 -0.039) 0.172 11.543 ( -0.844 -0.574 -0.642) 1.206 11.737 ( -0.311 -1.105 0.399) 1.216 12.107 ( -0.849 -0.438 1.369) 1.669 12.235 ( 0.743 -0.002 -1.619) 1.781 12.409 ( 0.299 0.585 0.291) 0.719 12.491 ( 0.287 0.088 0.270) 0.404 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 2.575 -0.078 1.462) 2.962 0.566 ( -5.458 1.824 0.572) 5.783 0.625 ( 3.204 -1.326 -1.272) 3.693 0.687 ( -0.485 -0.278 1.408) 1.515 0.786 ( 0.898 4.381 0.464) 4.496 0.822 ( -0.406 -0.110 0.258) 0.494 0.886 ( 0.140 -1.047 -1.030) 1.475 0.923 ( 0.440 -3.776 -1.794) 4.203 1.037 ( 1.478 1.732 -1.485) 2.718 1.089 ( 0.177 0.728 0.925) 1.190 1.135 ( 1.003 0.352 -3.571) 3.725 1.174 ( -0.305 -2.697 -1.194) 2.966 1.219 ( -3.044 -0.173 0.209) 3.056 1.243 ( -1.645 -0.681 -1.356) 2.238 1.321 ( 2.032 -0.211 2.625) 3.326 1.390 ( -0.875 -0.077 0.920) 1.272 1.482 ( -0.754 0.581 -0.630) 1.141 1.545 ( -0.200 0.895 -0.603) 1.097 1.680 ( 0.035 2.876 -0.938) 3.026 1.781 ( -1.152 -1.546 -3.934) 4.381 1.866 ( 3.173 0.388 -2.067) 3.806 1.924 ( 1.646 -1.064 -5.866) 6.185 2.062 ( -0.520 0.491 -2.963) 3.048 2.095 ( -0.663 -1.051 -3.867) 4.061 2.174 ( -1.358 0.990 0.406) 1.728 2.277 ( -1.961 -1.330 -3.999) 4.648 2.354 ( 0.182 1.412 -1.825) 2.314 2.381 ( 0.101 -0.329 -1.436) 1.477 2.441 ( 0.869 0.562 -0.182) 1.051 2.506 ( -0.296 -1.336 -1.084) 1.746 2.582 ( 2.046 2.471 -0.903) 3.333 2.621 ( -2.389 -0.252 2.013) 3.134 2.702 ( 0.903 -1.025 4.171) 4.389 2.783 ( 0.079 1.234 1.516) 1.957 2.876 ( -2.645 2.422 2.755) 4.523 2.944 ( 0.695 -0.121 -1.055) 1.269 3.049 ( -1.384 -0.077 1.085) 1.760 3.075 ( -1.185 -1.956 0.175) 2.294 3.219 ( 2.042 1.344 8.659) 8.997 3.251 ( 3.267 -2.073 10.293) 10.996 3.457 ( 2.108 -1.938 4.828) 5.614 3.626 ( -2.243 0.285 -1.988) 3.011 3.906 ( 1.291 2.850 0.436) 3.159 3.969 ( -0.918 -0.735 -0.610) 1.325 4.069 ( -1.405 2.987 -2.243) 3.990 4.088 ( 0.427 1.235 -1.478) 1.973 4.184 ( 0.439 -0.399 -2.149) 2.229 4.271 ( -0.451 0.157 -2.762) 2.803 4.618 ( 0.284 1.480 0.910) 1.760 4.687 ( -0.340 1.383 -0.640) 1.561 4.999 ( -1.013 -0.570 1.140) 1.628 5.074 ( 0.878 -0.097 -1.054) 1.375 5.573 ( 0.987 1.296 0.095) 1.632 5.619 ( 0.518 0.194 -1.319) 1.430 5.853 ( -0.173 -0.615 1.469) 1.603 5.969 ( 0.176 -1.986 -1.765) 2.663 6.117 ( -1.656 0.770 2.934) 3.456 6.274 ( 1.708 -0.423 -2.178) 2.800 6.443 ( 0.550 1.231 -0.270) 1.375 6.470 ( 0.628 2.150 -0.213) 2.250 6.590 ( -2.223 -1.799 2.420) 3.746 6.658 ( -0.100 -2.309 -0.010) 2.311 6.796 ( -0.214 -0.622 -0.007) 0.658 6.817 ( 0.434 -0.733 -0.187) 0.872 7.062 ( -0.134 -0.759 0.477) 0.906 7.162 ( -0.645 -0.216 -2.094) 2.202 7.407 ( 1.094 0.182 0.384) 1.174 7.447 ( -0.657 -0.411 -0.171) 0.793 7.701 ( -0.522 -0.850 0.231) 1.024 7.711 ( 0.639 -0.753 0.126) 0.996 8.003 ( 0.584 0.532 1.104) 1.358 8.104 ( -0.867 -0.200 -1.157) 1.460 8.260 ( 0.137 -0.357 0.024) 0.383 8.296 ( 0.120 -0.431 -0.911) 1.015 9.663 ( -0.125 -0.022 0.145) 0.193 9.667 ( 0.224 -0.165 0.039) 0.281 11.273 ( -0.012 -0.550 0.368) 0.662 11.328 ( -0.443 -0.130 -1.244) 1.327 11.564 ( 1.667 -0.560 2.433) 3.002 11.717 ( -1.133 -1.048 -1.605) 2.227 12.109 ( -0.873 -0.481 1.477) 1.782 12.233 ( 1.113 -0.012 -1.509) 1.875 12.421 ( 0.154 0.593 0.997) 1.170 12.487 ( -0.535 0.134 -0.632) 0.839 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -5.078 -0.653 1.647) 5.378 0.511 ( -0.359 2.768 1.228) 3.049 0.589 ( -2.753 -2.768 -2.626) 4.705 0.751 ( 1.934 3.221 1.624) 4.093 0.801 ( 0.096 1.149 0.101) 1.158 0.821 ( 0.011 -0.550 0.755) 0.934 0.869 ( 0.711 1.087 -1.978) 2.366 0.913 ( 1.307 -2.024 -2.720) 3.633 1.030 ( -0.652 1.128 -2.829) 3.114 1.060 ( -0.319 -0.978 -3.449) 3.599 1.113 ( -1.291 1.937 -0.991) 2.529 1.161 ( -0.050 -0.786 -0.593) 0.986 1.188 ( -0.571 -0.332 0.134) 0.674 1.254 ( 3.874 -0.356 1.657) 4.228 1.357 ( -1.368 1.110 2.051) 2.704 1.411 ( 1.126 -1.462 0.136) 1.850 1.483 ( 1.709 1.115 0.931) 2.243 1.525 ( -0.201 -0.537 -1.005) 1.157 1.672 ( 0.307 2.206 -0.540) 2.292 1.736 ( 0.442 -3.050 -1.800) 3.569 1.876 ( 1.804 0.366 -7.103) 7.337 1.901 ( 5.054 -0.102 -5.729) 7.640 2.016 ( -1.675 1.448 -0.611) 2.297 2.052 ( -0.601 -1.476 -0.898) 1.829 2.155 ( -1.739 0.779 0.502) 1.970 2.209 ( -0.875 0.539 -1.512) 1.828 2.337 ( -0.933 -0.220 -0.127) 0.967 2.363 ( -0.905 0.563 -0.583) 1.215 2.450 ( -0.933 1.278 -0.131) 1.588 2.496 ( 0.602 -1.362 -0.178) 1.500 2.532 ( -4.566 -0.996 -0.845) 4.750 2.626 ( 0.306 -0.055 0.776) 0.836 2.764 ( 1.503 3.760 2.116) 4.569 2.812 ( 0.746 -0.389 0.084) 0.846 2.858 ( -1.347 0.182 2.791) 3.104 2.969 ( 1.656 0.465 0.216) 1.734 3.022 ( -2.020 -1.764 1.262) 2.963 3.093 ( 2.569 -0.871 0.050) 2.713 3.349 ( 1.208 1.206 8.717) 8.883 3.415 ( 1.250 -0.114 5.630) 5.768 3.545 ( -0.705 -0.274 2.051) 2.186 3.568 ( 0.221 -2.310 3.128) 3.895 3.889 ( -3.214 2.017 -1.775) 4.189 3.951 ( 0.566 0.804 -1.653) 1.923 4.027 ( -0.767 3.311 -0.699) 3.470 4.062 ( -0.294 -0.114 -1.947) 1.973 4.180 ( 0.804 -0.225 -0.490) 0.968 4.220 ( -0.833 -0.062 -4.107) 4.191 4.631 ( -0.386 1.678 1.439) 2.244 4.664 ( -1.036 1.108 -1.145) 1.901 4.987 ( -1.728 -0.575 0.721) 1.958 5.071 ( -0.002 -0.173 -0.615) 0.639 5.559 ( -1.669 1.126 0.192) 2.022 5.597 ( -1.611 -0.023 -2.320) 2.824 5.898 ( 2.694 1.793 1.287) 3.483 5.981 ( 3.156 -3.442 -1.007) 4.777 6.119 ( -1.425 0.328 2.331) 2.752 6.279 ( 1.441 0.400 -1.360) 2.021 6.446 ( 0.616 1.527 -1.222) 2.051 6.484 ( 1.084 1.527 0.091) 1.875 6.579 ( -2.079 -2.695 2.339) 4.130 6.660 ( 0.191 -2.040 0.360) 2.080 6.786 ( -0.633 -0.308 -0.082) 0.709 6.821 ( -0.108 -1.119 0.124) 1.131 7.079 ( 1.050 -0.432 0.918) 1.460 7.132 ( 0.259 -0.217 -2.072) 2.100 7.420 ( -1.257 0.046 -0.886) 1.538 7.437 ( 0.988 -0.280 0.836) 1.325 7.700 ( 0.386 -0.333 0.141) 0.529 7.736 ( 1.832 -1.126 0.020) 2.151 8.041 ( 1.641 0.342 2.159) 2.733 8.070 ( -0.814 -0.160 -1.993) 2.159 8.267 ( 0.625 -0.289 0.019) 0.689 8.290 ( 0.467 -0.382 -1.070) 1.228 9.650 ( -1.367 -0.071 0.056) 1.370 9.664 ( -0.784 -0.160 0.047) 0.801 11.281 ( 0.303 -0.428 0.698) 0.873 11.308 ( -0.170 -0.354 -1.050) 1.121 11.637 ( 2.610 -0.525 3.139) 4.116 11.666 ( -1.527 -1.004 -2.920) 3.445 12.112 ( -0.916 -0.489 1.571) 1.883 12.236 ( 1.348 -0.052 -1.747) 2.207 12.437 ( -0.041 0.797 1.619) 1.805 12.462 ( -1.024 0.090 -1.050) 1.470 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -3.262 -0.024 2.029) 3.841 0.469 ( -4.515 -1.618 -3.974) 6.229 0.567 ( 0.975 1.287 3.772) 4.103 0.755 ( -1.718 0.831 0.318) 1.935 0.775 ( -2.389 1.117 0.160) 2.642 0.830 ( 1.294 0.964 -1.640) 2.301 0.874 ( 0.497 1.833 -1.989) 2.750 0.914 ( 1.803 -0.019 -0.600) 1.901 0.972 ( -1.314 1.572 -2.211) 3.014 1.019 ( -0.910 -1.879 -1.919) 2.836 1.080 ( -1.767 2.841 0.346) 3.364 1.153 ( -0.426 -2.562 0.472) 2.640 1.236 ( 4.114 2.714 1.017) 5.032 1.323 ( -1.435 0.325 2.572) 2.964 1.362 ( 1.431 -1.201 0.116) 1.872 1.411 ( 1.588 4.902 -1.095) 5.268 1.503 ( 1.100 0.634 -0.357) 1.319 1.574 ( 3.492 -5.608 0.326) 6.614 1.690 ( 1.943 -0.121 1.709) 2.590 1.763 ( 3.141 -0.502 0.181) 3.186 1.827 ( 0.535 2.092 -4.037) 4.578 1.885 ( 2.246 -0.333 -6.617) 6.996 2.004 ( -0.912 0.050 2.061) 2.255 2.066 ( 1.122 -0.035 1.255) 1.684 2.133 ( -2.234 3.951 1.388) 4.747 2.190 ( -1.941 1.319 0.861) 2.500 2.311 ( -2.904 -1.749 0.253) 3.399 2.343 ( -0.431 0.437 -0.480) 0.779 2.398 ( -2.631 0.215 -0.168) 2.645 2.461 ( -2.359 -3.734 -0.674) 4.468 2.544 ( 2.729 -0.105 0.808) 2.848 2.604 ( -1.604 -0.766 -0.763) 1.935 2.784 ( -0.858 0.065 -0.793) 1.170 2.816 ( 0.425 1.449 0.798) 1.708 2.913 ( 1.439 0.833 2.611) 3.096 2.987 ( 0.759 1.521 0.697) 1.837 3.029 ( 1.941 -2.427 1.142) 3.310 3.147 ( 2.725 0.206 0.197) 2.740 3.366 ( -2.275 2.271 -3.135) 4.490 3.443 ( -1.042 -0.446 1.763) 2.096 3.568 ( 0.073 0.454 0.973) 1.076 3.614 ( -1.051 -2.253 2.414) 3.466 3.836 ( -0.535 0.436 0.576) 0.899 3.912 ( -2.231 1.176 -0.957) 2.698 4.018 ( -0.476 1.676 -0.394) 1.786 4.066 ( 1.466 0.655 0.772) 1.781 4.145 ( -1.864 0.119 -3.518) 3.984 4.207 ( 1.150 -0.335 1.405) 1.846 4.622 ( -1.279 1.716 -0.978) 2.353 4.646 ( -0.673 1.110 1.211) 1.775 4.958 ( -2.452 -0.676 0.361) 2.569 5.063 ( -0.327 -0.473 -0.205) 0.610 5.491 ( -4.596 0.447 -3.448) 5.763 5.570 ( 0.905 -0.259 1.015) 1.384 5.958 ( 3.171 3.513 -0.006) 4.733 6.031 ( 2.965 -3.098 -0.190) 4.293 6.128 ( -0.241 0.612 1.596) 1.726 6.287 ( 0.739 0.695 -0.934) 1.379 6.429 ( -0.856 1.689 -1.260) 2.274 6.507 ( 1.413 0.737 -0.124) 1.598 6.580 ( -0.708 -3.974 1.885) 4.455 6.674 ( 0.725 -1.445 0.500) 1.692 6.780 ( -0.132 -0.187 0.107) 0.253 6.815 ( -0.687 -1.843 0.275) 1.987 7.112 ( 1.265 0.140 1.207) 1.754 7.130 ( 1.399 -0.506 -0.555) 1.588 7.384 ( -1.312 -0.135 -1.164) 1.759 7.456 ( 0.009 -0.537 0.503) 0.735 7.718 ( 1.419 0.353 0.123) 1.468 7.767 ( 1.989 -0.739 -0.308) 2.144 8.028 ( -1.011 0.120 -1.864) 2.124 8.106 ( 2.266 -0.252 2.277) 3.222 8.279 ( 0.696 0.027 -0.041) 0.697 8.288 ( 0.613 -0.534 -0.726) 1.090 9.623 ( -1.712 -0.060 0.065) 1.715 9.641 ( -1.635 -0.252 -0.183) 1.664 11.293 ( 0.166 0.125 -0.078) 0.222 11.305 ( 0.560 -0.912 0.569) 1.212 11.601 ( -1.564 -0.668 -3.016) 3.462 11.716 ( 2.334 -0.736 2.295) 3.355 12.114 ( -1.043 -0.468 1.633) 1.993 12.236 ( 1.167 -0.072 -1.983) 2.302 12.426 ( -1.197 0.668 -0.842) 1.609 12.463 ( 0.291 0.268 1.575) 1.624 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -1.958 0.756 -3.981) 4.501 0.389 ( -0.872 -2.681 1.216) 3.071 0.639 ( 0.238 1.579 4.765) 5.025 0.728 ( -1.243 0.615 0.012) 1.387 0.745 ( -1.570 -0.000 0.866) 1.793 0.818 ( -1.777 2.734 -0.402) 3.286 0.857 ( 1.691 0.032 -1.866) 2.519 0.925 ( 0.062 2.708 1.253) 2.984 0.961 ( 0.069 1.217 0.568) 1.345 1.009 ( -0.019 -0.299 1.814) 1.838 1.057 ( -1.447 1.821 0.462) 2.372 1.159 ( 0.136 -4.116 0.553) 4.155 1.266 ( -1.838 0.908 -0.902) 2.240 1.313 ( 0.010 2.216 0.629) 2.303 1.394 ( 0.961 -0.812 1.580) 2.020 1.474 ( 6.066 7.147 0.154) 9.375 1.522 ( 0.774 0.433 -0.224) 0.915 1.611 ( 2.548 -3.141 -0.644) 4.096 1.750 ( 0.150 3.945 -1.440) 4.203 1.793 ( 2.702 -2.778 1.773) 4.262 1.844 ( 2.112 1.626 -2.673) 3.774 1.865 ( 1.311 -0.822 2.681) 3.096 2.012 ( -2.338 2.563 2.126) 4.069 2.077 ( -1.396 2.743 0.446) 3.110 2.107 ( -0.514 0.948 0.680) 1.275 2.176 ( -1.518 -1.048 2.716) 3.283 2.237 ( -5.609 -6.642 -0.470) 8.706 2.348 ( 1.308 2.355 0.597) 2.760 2.373 ( -1.004 0.233 0.252) 1.061 2.440 ( 0.178 -3.758 -0.088) 3.763 2.535 ( -1.670 1.650 -1.337) 2.701 2.639 ( 3.145 -0.712 1.632) 3.614 2.771 ( 0.167 -0.787 -0.536) 0.966 2.800 ( -1.457 -0.799 -1.233) 2.069 2.911 ( -1.466 -0.349 -0.573) 1.612 3.023 ( 1.659 1.962 0.360) 2.595 3.121 ( 3.703 -0.068 2.877) 4.689 3.175 ( 1.005 0.399 -0.243) 1.109 3.290 ( -1.155 2.323 -3.828) 4.624 3.390 ( -0.958 -0.293 -6.550) 6.626 3.554 ( 0.301 1.147 -2.857) 3.094 3.588 ( -2.057 -1.548 -0.986) 2.757 3.862 ( -1.660 1.128 0.257) 2.024 3.884 ( 0.859 -1.234 2.112) 2.593 3.996 ( -1.408 0.880 -1.050) 1.965 4.089 ( 0.026 1.568 0.594) 1.677 4.114 ( 0.069 -0.976 2.535) 2.718 4.244 ( 0.474 0.322 1.648) 1.744 4.595 ( -0.538 1.227 -0.574) 1.458 4.646 ( -0.815 1.624 0.681) 1.941 4.919 ( -2.283 -0.876 0.728) 2.552 5.056 ( -0.197 -0.652 -0.287) 0.739 5.395 ( -2.404 -0.152 -0.869) 2.561 5.609 ( 1.582 -0.364 0.559) 1.717 5.997 ( 1.844 3.897 -0.408) 4.331 6.069 ( 1.606 -0.892 -0.160) 1.844 6.143 ( 0.238 0.520 0.704) 0.907 6.273 ( -0.066 0.912 -2.444) 2.609 6.402 ( -0.901 0.151 0.006) 0.914 6.524 ( 1.071 0.062 -0.585) 1.222 6.592 ( -0.409 -3.844 1.529) 4.157 6.689 ( 0.649 -1.229 -0.019) 1.390 6.780 ( -0.025 -0.068 -0.204) 0.217 6.807 ( -0.383 -2.252 -0.244) 2.298 7.147 ( 0.682 0.062 1.643) 1.780 7.157 ( 1.161 -0.531 0.835) 1.525 7.356 ( -0.742 -0.447 -0.512) 1.006 7.448 ( -0.602 -0.559 -0.724) 1.095 7.747 ( 1.446 0.719 0.379) 1.659 7.794 ( 1.494 -0.117 -0.295) 1.527 7.999 ( -0.439 0.160 -0.421) 0.629 8.153 ( 0.893 -0.623 0.416) 1.165 8.289 ( 0.594 0.068 -0.013) 0.598 8.298 ( 0.592 -0.358 0.577) 0.901 9.599 ( -1.156 -0.053 0.110) 1.162 9.612 ( -1.330 -0.293 -0.228) 1.381 11.293 ( 0.223 -0.202 -0.225) 0.376 11.322 ( 0.157 -0.488 0.559) 0.759 11.560 ( -0.156 -0.527 -0.708) 0.896 11.760 ( 0.812 -0.767 0.436) 1.199 12.114 ( -1.202 -0.433 1.578) 2.030 12.232 ( 1.135 -0.063 -1.926) 2.236 12.404 ( -0.489 0.658 -0.188) 0.841 12.480 ( -0.088 0.197 0.612) 0.649 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 1.579 0.000 7.004) 7.180 0.457 ( 1.693 0.000 6.111) 6.342 0.554 ( 0.310 0.000 1.731) 1.758 0.602 ( -0.664 0.000 -0.303) 0.730 0.658 ( -1.291 0.000 -0.715) 1.476 0.696 ( 1.305 0.000 -4.140) 4.341 0.804 ( -2.393 0.000 0.859) 2.543 0.818 ( 1.552 0.000 -0.037) 1.552 0.879 ( -1.678 0.000 -1.186) 2.055 0.883 ( 0.283 0.000 -1.111) 1.146 1.066 ( -0.159 0.000 2.826) 2.831 1.090 ( 2.724 0.000 0.616) 2.793 1.198 ( -0.682 0.000 0.959) 1.176 1.217 ( -0.984 0.000 1.003) 1.405 1.297 ( -0.677 0.000 14.872) 14.887 1.394 ( 0.980 0.000 -0.115) 0.987 1.446 ( -2.607 0.000 -0.639) 2.684 1.538 ( 2.498 0.000 -5.502) 6.042 1.726 ( 2.022 0.000 4.107) 4.578 1.784 ( -1.251 0.000 -1.128) 1.685 1.924 ( 2.264 0.000 2.473) 3.352 1.979 ( -2.397 0.000 -2.587) 3.527 2.082 ( 3.018 0.000 0.826) 3.129 2.088 ( -3.625 0.000 0.793) 3.710 2.209 ( 1.660 0.000 0.977) 1.926 2.233 ( -1.021 0.000 -1.434) 1.760 2.312 ( -1.525 0.000 7.250) 7.409 2.363 ( 0.802 0.000 1.852) 2.018 2.483 ( -2.363 0.000 0.641) 2.449 2.488 ( -0.769 0.000 -0.970) 1.238 2.529 ( 0.842 0.000 -1.180) 1.449 2.619 ( -0.537 0.000 1.586) 1.674 2.649 ( 3.030 0.000 -11.827) 12.209 2.657 ( 0.394 0.000 -1.387) 1.442 2.892 ( -4.184 0.000 2.588) 4.919 2.949 ( 3.060 0.000 -2.746) 4.112 3.073 ( -2.161 0.000 2.174) 3.066 3.113 ( 0.890 0.000 -1.060) 1.384 3.252 ( -2.514 0.000 -5.433) 5.986 3.253 ( 2.933 0.000 -3.998) 4.959 3.347 ( 4.139 0.000 5.551) 6.924 3.456 ( -2.577 0.000 -5.486) 6.061 3.848 ( 1.216 0.000 1.348) 1.816 3.873 ( -1.983 0.000 -1.067) 2.251 3.961 ( 2.400 0.000 0.314) 2.421 3.972 ( -2.008 0.000 -0.699) 2.127 4.278 ( -0.061 0.000 2.943) 2.944 4.299 ( -0.168 0.000 0.609) 0.631 4.555 ( -1.061 0.000 0.729) 1.288 4.557 ( 1.233 0.000 0.512) 1.335 5.021 ( -1.296 0.000 1.611) 2.067 5.061 ( 1.518 0.000 -2.587) 2.999 5.520 ( 2.032 0.000 1.044) 2.285 5.538 ( -1.362 0.000 -0.665) 1.516 5.858 ( 2.911 0.000 3.120) 4.266 5.914 ( -1.066 0.000 -0.933) 1.417 5.993 ( -5.656 0.000 1.623) 5.884 6.063 ( 3.604 0.000 -4.080) 5.444 6.580 ( -3.810 0.000 1.019) 3.944 6.591 ( 2.489 0.000 -0.142) 2.493 6.772 ( 1.626 0.000 -0.156) 1.634 6.782 ( -1.693 0.000 -1.176) 2.062 6.921 ( -2.201 0.000 0.791) 2.339 6.938 ( 2.278 0.000 -0.941) 2.465 7.189 ( 0.564 0.000 2.393) 2.459 7.228 ( -1.139 0.000 -1.612) 1.974 7.454 ( 0.195 0.000 0.072) 0.208 7.454 ( 0.030 0.000 -0.040) 0.050 7.720 ( -0.861 0.000 -0.074) 0.865 7.725 ( 0.614 0.000 -0.540) 0.818 8.102 ( 3.551 0.000 3.441) 4.945 8.162 ( -3.098 0.000 -2.772) 4.157 8.324 ( 0.298 0.000 1.552) 1.580 8.355 ( 0.548 0.000 -1.657) 1.745 9.596 ( 0.485 0.000 0.354) 0.601 9.603 ( -0.605 0.000 -0.290) 0.671 11.321 ( -0.292 0.000 1.215) 1.250 11.345 ( 0.653 0.000 -1.322) 1.474 11.730 ( 4.455 0.000 2.047) 4.902 11.769 ( -3.071 0.000 -1.907) 3.615 12.217 ( 0.426 0.000 0.516) 0.669 12.231 ( -0.785 0.000 -0.942) 1.227 12.374 ( -5.212 0.000 1.802) 5.514 12.404 ( 3.004 0.000 -1.367) 3.300 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -0.756 0.000 -3.660) 3.738 0.475 ( -1.342 0.000 -3.050) 3.332 0.603 ( 4.902 0.000 0.863) 4.977 0.610 ( 1.524 0.000 1.440) 2.096 0.674 ( 1.122 0.000 1.182) 1.630 0.683 ( 1.115 0.000 -1.844) 2.155 0.814 ( 1.672 0.000 1.303) 2.120 0.860 ( 2.763 0.000 -1.071) 2.963 0.883 ( 1.585 0.000 1.174) 1.972 0.922 ( 5.219 0.000 1.718) 5.494 1.072 ( -0.102 0.000 -1.246) 1.251 1.114 ( 2.700 0.000 -3.310) 4.272 1.204 ( -0.391 0.000 1.587) 1.634 1.237 ( 2.314 0.000 1.677) 2.858 1.371 ( -2.407 0.000 -0.413) 2.442 1.385 ( 0.263 0.000 -3.300) 3.311 1.476 ( 1.861 0.000 5.788) 6.080 1.512 ( 2.486 0.000 -5.849) 6.356 1.738 ( 0.210 0.000 -4.384) 4.389 1.803 ( 2.172 0.000 2.572) 3.366 1.898 ( -2.955 0.000 -2.557) 3.908 1.988 ( 1.133 0.000 2.355) 2.613 2.027 ( -3.457 0.000 -0.636) 3.515 2.135 ( 2.433 0.000 2.261) 3.322 2.168 ( -3.771 0.000 -0.698) 3.835 2.233 ( -0.869 0.000 -0.585) 1.048 2.365 ( 0.895 0.000 3.234) 3.355 2.377 ( 0.548 0.000 -5.335) 5.363 2.473 ( -3.433 0.000 3.203) 4.696 2.481 ( 1.032 0.000 -0.053) 1.033 2.551 ( 2.223 0.000 3.840) 4.437 2.593 ( 2.364 0.000 -3.229) 4.002 2.650 ( 1.146 0.000 0.146) 1.155 2.655 ( 1.889 0.000 -0.883) 2.085 2.852 ( -4.151 0.000 5.111) 6.584 2.959 ( 1.107 0.000 -2.736) 2.951 3.082 ( -3.639 0.000 -3.553) 5.086 3.087 ( -0.242 0.000 3.429) 3.438 3.194 ( -1.027 0.000 2.714) 2.901 3.268 ( 1.407 0.000 -0.125) 1.412 3.373 ( 2.266 0.000 -6.332) 6.725 3.485 ( 4.655 0.000 4.394) 6.401 3.823 ( -2.199 0.000 -1.015) 2.422 3.867 ( -1.933 0.000 1.715) 2.584 3.935 ( -0.692 0.000 -0.605) 0.919 3.994 ( 0.644 0.000 0.374) 0.745 4.289 ( -0.449 0.000 -1.362) 1.434 4.296 ( -0.460 0.000 0.993) 1.094 4.541 ( -0.844 0.000 -0.233) 0.876 4.582 ( 1.538 0.000 -0.329) 1.573 5.025 ( -0.521 0.000 1.891) 1.962 5.058 ( 1.253 0.000 -2.052) 2.404 5.502 ( -1.182 0.000 -1.067) 1.592 5.553 ( 0.594 0.000 -0.441) 0.740 5.865 ( 0.880 0.000 -3.032) 3.157 5.944 ( 3.273 0.000 0.728) 3.353 5.973 ( -2.784 0.000 5.044) 5.761 6.106 ( 5.769 0.000 -1.955) 6.091 6.531 ( -3.538 0.000 1.406) 3.807 6.622 ( 0.570 0.000 -0.119) 0.582 6.733 ( -2.859 0.000 0.199) 2.866 6.794 ( 0.559 0.000 0.540) 0.777 6.881 ( -3.159 0.000 0.928) 3.292 6.950 ( 0.417 0.000 -1.052) 1.132 7.192 ( -0.845 0.000 -1.728) 1.924 7.226 ( 0.222 0.000 2.354) 2.365 7.446 ( -0.989 0.000 -0.006) 0.989 7.456 ( 0.296 0.000 -0.100) 0.313 7.723 ( 0.981 0.000 0.444) 1.077 7.740 ( 1.284 0.000 -0.162) 1.294 8.052 ( -4.794 0.000 -3.525) 5.950 8.173 ( 0.548 0.000 2.746) 2.800 8.332 ( -0.395 0.000 -2.020) 2.058 8.340 ( -0.176 0.000 0.872) 0.889 9.604 ( 1.051 0.000 -0.419) 1.132 9.623 ( 1.821 0.000 0.595) 1.915 11.328 ( -0.267 0.000 1.003) 1.038 11.334 ( 0.121 0.000 -1.380) 1.385 11.683 ( -3.333 0.000 -2.780) 4.341 11.811 ( 2.835 0.000 0.762) 2.936 12.201 ( -1.838 0.000 0.529) 1.912 12.226 ( -0.290 0.000 0.579) 0.647 12.343 ( -1.766 0.000 2.275) 2.880 12.452 ( 3.076 0.000 0.002) 3.076 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -1.994 0.000 -2.751) 3.398 0.403 ( -1.616 0.000 -3.034) 3.438 0.598 ( -0.882 0.000 -2.215) 2.384 0.678 ( -0.129 0.000 -0.757) 0.768 0.722 ( 5.848 0.000 1.266) 5.984 0.739 ( 3.721 0.000 1.908) 4.182 0.860 ( 3.080 0.000 -0.452) 3.113 0.886 ( 2.275 0.000 -1.930) 2.984 0.943 ( 3.491 0.000 0.071) 3.492 1.020 ( 2.050 0.000 -0.095) 2.053 1.061 ( 3.969 0.000 -3.062) 5.013 1.122 ( 3.953 0.000 -4.870) 6.273 1.238 ( -0.188 0.000 3.441) 3.446 1.267 ( 1.914 0.000 -4.374) 4.775 1.346 ( -1.349 0.000 3.187) 3.460 1.363 ( 1.680 0.000 -1.527) 2.270 1.492 ( 2.110 0.000 -3.171) 3.809 1.512 ( 0.886 0.000 -2.819) 2.955 1.711 ( 2.883 0.000 -5.077) 5.839 1.835 ( -1.661 0.000 -0.474) 1.727 1.846 ( 1.993 0.000 -1.099) 2.276 1.967 ( -1.675 0.000 -1.853) 2.498 2.004 ( -0.608 0.000 0.429) 0.744 2.107 ( -3.967 0.000 1.567) 4.266 2.131 ( -2.282 0.000 -4.881) 5.388 2.256 ( 1.675 0.000 2.692) 3.171 2.318 ( 0.263 0.000 -4.665) 4.673 2.391 ( -1.374 0.000 -2.010) 2.434 2.439 ( -2.380 0.000 -4.699) 5.267 2.459 ( 1.463 0.000 4.613) 4.839 2.613 ( 1.772 0.000 0.795) 1.942 2.642 ( 0.993 0.000 3.118) 3.272 2.710 ( 4.045 0.000 1.580) 4.343 2.711 ( 1.128 0.000 2.003) 2.299 2.872 ( -1.751 0.000 5.222) 5.507 2.901 ( -1.895 0.000 -4.754) 5.117 2.997 ( -3.548 0.000 3.624) 5.072 3.119 ( -0.415 0.000 1.828) 1.874 3.202 ( -2.025 0.000 3.419) 3.974 3.313 ( 0.392 0.000 6.029) 6.042 3.428 ( 8.688 0.000 -1.509) 8.818 3.591 ( 2.648 0.000 2.706) 3.786 3.780 ( -1.633 0.000 -0.696) 1.775 3.821 ( -3.237 0.000 -0.561) 3.285 3.933 ( -0.447 0.000 0.595) 0.744 3.986 ( -2.076 0.000 0.494) 2.134 4.256 ( -0.247 0.000 -3.104) 3.114 4.286 ( -0.649 0.000 -1.208) 1.372 4.529 ( -0.188 0.000 0.183) 0.262 4.600 ( 1.553 0.000 -0.977) 1.835 5.044 ( 0.118 0.000 1.555) 1.559 5.053 ( 0.801 0.000 -1.773) 1.946 5.476 ( -0.634 0.000 -0.913) 1.111 5.529 ( -0.640 0.000 -2.339) 2.425 5.909 ( 4.181 0.000 1.582) 4.470 5.991 ( -1.421 0.000 4.450) 4.671 5.992 ( 3.819 0.000 -1.952) 4.289 6.181 ( 4.200 0.000 -1.312) 4.400 6.490 ( -3.083 0.000 1.258) 3.330 6.586 ( -3.277 0.000 -0.622) 3.335 6.718 ( -0.811 0.000 2.218) 2.362 6.799 ( -0.682 0.000 0.442) 0.813 6.843 ( -3.119 0.000 1.443) 3.437 6.927 ( -0.967 0.000 -2.051) 2.267 7.163 ( -0.147 0.000 -1.538) 1.545 7.234 ( -1.287 0.000 0.018) 1.287 7.427 ( -1.380 0.000 0.486) 1.463 7.465 ( 0.536 0.000 0.005) 0.536 7.750 ( 0.679 0.000 -0.852) 1.089 7.755 ( 1.811 0.000 0.524) 1.886 7.960 ( -2.110 0.000 -0.770) 2.246 8.181 ( -1.896 0.000 0.609) 1.991 8.306 ( -0.179 0.000 -1.293) 1.305 8.337 ( -0.306 0.000 -0.394) 0.498 9.625 ( 1.642 0.000 -0.155) 1.650 9.662 ( 1.502 0.000 0.782) 1.693 11.323 ( 0.171 0.000 -0.905) 0.921 11.338 ( 0.049 0.000 0.891) 0.892 11.613 ( -1.550 0.000 -1.321) 2.036 11.841 ( 0.719 0.000 -0.747) 1.037 12.188 ( -1.125 0.000 1.483) 1.862 12.221 ( -0.663 0.000 0.165) 0.683 12.349 ( -0.389 0.000 1.617) 1.663 12.486 ( 1.097 0.000 -0.778) 1.344 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -2.982 0.000 -1.558) 3.364 0.350 ( -1.564 0.000 -1.577) 2.221 0.574 ( 0.039 0.000 -0.283) 0.286 0.656 ( -0.240 0.000 -2.426) 2.438 0.801 ( 3.390 0.000 -1.622) 3.758 0.814 ( 2.551 0.000 1.167) 2.805 0.886 ( 1.270 0.000 -3.077) 3.329 0.903 ( 2.077 0.000 -0.036) 2.077 0.990 ( 3.929 0.000 -1.844) 4.340 1.022 ( 1.554 0.000 -2.193) 2.688 1.108 ( 2.574 0.000 -0.902) 2.727 1.116 ( -0.323 0.000 -3.353) 3.368 1.228 ( 2.154 0.000 -5.605) 6.005 1.258 ( -0.978 0.000 1.979) 2.207 1.348 ( -4.844 0.000 2.054) 5.262 1.395 ( -0.061 0.000 2.210) 2.211 1.513 ( 6.012 0.000 -2.933) 6.689 1.533 ( 5.058 0.000 -0.331) 5.069 1.708 ( 3.143 0.000 -3.479) 4.689 1.842 ( 1.760 0.000 0.040) 1.760 1.855 ( 1.729 0.000 -2.518) 3.054 1.935 ( 0.302 0.000 -0.675) 0.739 1.983 ( -1.884 0.000 -1.580) 2.459 2.034 ( -2.234 0.000 -3.473) 4.129 2.063 ( -2.629 0.000 0.339) 2.651 2.192 ( -6.424 0.000 -2.769) 6.995 2.278 ( 0.067 0.000 -2.558) 2.559 2.372 ( -0.128 0.000 -1.027) 1.035 2.402 ( 1.621 0.000 -1.793) 2.417 2.514 ( -3.969 0.000 1.562) 4.266 2.623 ( -0.197 0.000 -0.798) 0.822 2.647 ( 0.800 0.000 0.935) 1.231 2.720 ( 0.894 0.000 0.634) 1.096 2.783 ( 1.931 0.000 0.398) 1.971 2.849 ( 0.171 0.000 -1.250) 1.261 2.888 ( -1.195 0.000 2.069) 2.389 3.059 ( 2.344 0.000 5.009) 5.531 3.115 ( -1.089 0.000 0.736) 1.315 3.234 ( -0.734 0.000 6.746) 6.786 3.402 ( -0.294 0.000 7.012) 7.018 3.577 ( 7.348 0.000 1.618) 7.524 3.644 ( 0.293 0.000 3.373) 3.386 3.759 ( 0.198 0.000 -0.286) 0.348 3.764 ( -1.831 0.000 -1.825) 2.585 3.923 ( -1.140 0.000 0.161) 1.151 3.942 ( -3.540 0.000 0.534) 3.580 4.217 ( 0.492 0.000 -3.708) 3.740 4.244 ( -1.316 0.000 -2.933) 3.214 4.544 ( 0.602 0.000 1.530) 1.644 4.612 ( 1.152 0.000 -1.133) 1.615 5.048 ( 0.886 0.000 -1.380) 1.640 5.055 ( -0.428 0.000 0.587) 0.727 5.459 ( -0.270 0.000 -0.453) 0.527 5.499 ( 0.252 0.000 -2.239) 2.253 5.980 ( -1.021 0.000 4.465) 4.580 6.034 ( 4.510 0.000 -3.047) 5.443 6.044 ( 2.287 0.000 3.190) 3.925 6.201 ( 0.825 0.000 -2.412) 2.550 6.466 ( -1.474 0.000 2.046) 2.522 6.541 ( -1.545 0.000 0.688) 1.691 6.736 ( -0.264 0.000 2.104) 2.121 6.784 ( -1.118 0.000 -0.060) 1.120 6.800 ( -3.577 0.000 1.021) 3.720 6.877 ( -0.767 0.000 -3.491) 3.574 7.152 ( 0.420 0.000 -1.072) 1.152 7.193 ( -1.429 0.000 -2.043) 2.493 7.414 ( -1.016 0.000 0.932) 1.379 7.461 ( -0.252 0.000 -1.122) 1.150 7.768 ( 1.562 0.000 0.794) 1.752 7.789 ( 1.387 0.000 0.429) 1.452 7.956 ( -0.014 0.000 2.234) 2.234 8.133 ( -2.654 0.000 -1.666) 3.134 8.296 ( 0.200 0.000 -0.575) 0.609 8.323 ( -0.317 0.000 -1.011) 1.059 9.652 ( 1.400 0.000 0.303) 1.432 9.684 ( 0.364 0.000 0.237) 0.434 11.321 ( 0.495 0.000 -0.449) 0.668 11.342 ( -0.649 0.000 0.435) 0.781 11.613 ( 1.046 0.000 2.092) 2.339 11.820 ( -0.792 0.000 -2.535) 2.656 12.191 ( -0.882 0.000 1.680) 1.898 12.212 ( -0.278 0.000 -0.146) 0.314 12.365 ( -0.035 0.000 1.586) 1.587 12.474 ( 0.240 0.000 -2.700) 2.711 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.191 0.000 0.914) 0.934 0.318 ( 0.148 0.000 -1.667) 1.674 0.577 ( -0.794 0.000 0.867) 1.176 0.622 ( 0.098 0.000 -2.965) 2.967 0.815 ( 1.329 0.000 -1.936) 2.349 0.821 ( -1.251 0.000 -2.801) 3.068 0.884 ( -0.202 0.000 1.808) 1.819 0.915 ( -0.637 0.000 -0.706) 0.951 1.029 ( 1.316 0.000 -0.711) 1.496 1.037 ( 0.442 0.000 -1.787) 1.841 1.055 ( -0.925 0.000 1.466) 1.733 1.106 ( -1.191 0.000 -2.343) 2.628 1.206 ( -4.132 0.000 -0.723) 4.194 1.231 ( 4.100 0.000 -3.253) 5.234 1.339 ( 1.452 0.000 2.991) 3.325 1.379 ( -1.866 0.000 -0.765) 2.016 1.582 ( -2.157 0.000 0.888) 2.332 1.607 ( 5.694 0.000 -1.434) 5.872 1.773 ( 4.288 0.000 3.102) 5.293 1.839 ( -1.961 0.000 -1.354) 2.383 1.847 ( 0.321 0.000 -0.841) 0.901 1.864 ( -6.568 0.000 -5.248) 8.407 1.986 ( 2.736 0.000 1.624) 3.182 2.010 ( 0.809 0.000 0.090) 0.814 2.044 ( -5.616 0.000 -2.936) 6.337 2.052 ( 4.872 0.000 -2.401) 5.432 2.279 ( 1.125 0.000 1.383) 1.783 2.322 ( -4.905 0.000 -2.824) 5.660 2.405 ( 3.023 0.000 1.603) 3.421 2.438 ( -2.225 0.000 -1.728) 2.817 2.658 ( -0.852 0.000 0.682) 1.091 2.667 ( 1.749 0.000 -0.025) 1.749 2.741 ( 0.844 0.000 2.007) 2.177 2.770 ( -1.955 0.000 -0.986) 2.190 2.876 ( 2.244 0.000 0.437) 2.286 2.884 ( -0.858 0.000 -0.386) 0.941 3.110 ( -0.940 0.000 1.101) 1.448 3.120 ( 1.219 0.000 0.101) 1.223 3.337 ( 1.947 0.000 8.108) 8.339 3.424 ( -1.774 0.000 -0.470) 1.835 3.667 ( 1.843 0.000 0.838) 2.025 3.670 ( -2.089 0.000 1.502) 2.573 3.746 ( -0.306 0.000 3.020) 3.036 3.793 ( 2.312 0.000 -0.214) 2.322 3.895 ( -1.073 0.000 0.034) 1.074 3.902 ( -0.183 0.000 -0.854) 0.873 4.185 ( -1.870 0.000 -1.982) 2.725 4.195 ( 1.362 0.000 -2.589) 2.926 4.573 ( 0.115 0.000 1.965) 1.969 4.608 ( 0.073 0.000 -1.549) 1.550 5.044 ( -1.179 0.000 0.167) 1.191 5.053 ( 1.165 0.000 -0.813) 1.421 5.458 ( 0.193 0.000 0.328) 0.381 5.482 ( 0.558 0.000 -2.102) 2.175 5.990 ( -3.616 0.000 4.311) 5.626 6.066 ( 3.348 0.000 -3.524) 4.861 6.106 ( 0.507 0.000 3.391) 3.429 6.168 ( -0.573 0.000 -3.080) 3.133 6.491 ( 0.270 0.000 3.151) 3.163 6.534 ( -0.325 0.000 -0.680) 0.754 6.743 ( -2.227 0.000 2.843) 3.612 6.771 ( 0.202 0.000 -0.549) 0.585 6.778 ( 0.594 0.000 0.810) 1.004 6.833 ( 1.091 0.000 -4.046) 4.191 7.150 ( 0.435 0.000 -0.497) 0.661 7.155 ( -0.773 0.000 -1.132) 1.370 7.416 ( -0.240 0.000 1.280) 1.302 7.441 ( -0.049 0.000 -1.353) 1.354 7.798 ( 0.315 0.000 0.825) 0.883 7.806 ( 0.087 0.000 0.061) 0.106 8.004 ( 1.829 0.000 3.295) 3.768 8.065 ( -1.851 0.000 -3.000) 3.525 8.299 ( 0.533 0.000 -0.136) 0.550 8.306 ( -0.367 0.000 -0.886) 0.959 9.675 ( 0.612 0.000 0.487) 0.782 9.682 ( -0.588 0.000 -0.225) 0.630 11.329 ( -0.994 0.000 -0.007) 0.994 11.330 ( 0.943 0.000 -0.094) 0.948 11.681 ( 2.180 0.000 3.980) 4.538 11.760 ( -1.571 0.000 -4.162) 4.449 12.195 ( -0.764 0.000 1.426) 1.618 12.210 ( 0.302 0.000 -0.284) 0.414 12.385 ( -0.336 0.000 2.418) 2.442 12.441 ( 0.021 0.000 -3.191) 3.191 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 1.824 0.000 -1.303) 2.241 0.346 ( 3.961 0.000 0.670) 4.017 0.553 ( -5.160 0.000 4.703) 6.981 0.591 ( -0.400 0.000 -1.870) 1.913 0.757 ( -3.235 0.000 0.510) 3.275 0.808 ( -1.493 0.000 0.522) 1.582 0.870 ( -2.718 0.000 -0.645) 2.794 0.886 ( -2.558 0.000 1.732) 3.089 0.993 ( -2.046 0.000 0.443) 2.093 1.010 ( -3.049 0.000 -2.686) 4.063 1.070 ( -0.184 0.000 1.700) 1.710 1.086 ( -1.109 0.000 1.952) 2.245 1.162 ( -2.089 0.000 0.825) 2.246 1.280 ( 3.081 0.000 -0.913) 3.213 1.357 ( 1.295 0.000 -0.184) 1.308 1.410 ( 2.381 0.000 1.527) 2.829 1.512 ( -3.629 0.000 -2.122) 4.204 1.542 ( -12.361 0.000 -2.019) 12.525 1.702 ( -2.135 0.000 -2.978) 3.665 1.815 ( -1.376 0.000 1.766) 2.239 1.821 ( -0.385 0.000 1.400) 1.452 1.907 ( 2.194 0.000 4.722) 5.207 1.950 ( -1.750 0.000 -1.877) 2.566 2.014 ( 1.023 0.000 -0.083) 1.027 2.071 ( 5.591 0.000 -0.416) 5.606 2.172 ( 8.222 0.000 -0.655) 8.248 2.249 ( -2.273 0.000 0.641) 2.362 2.341 ( 1.136 0.000 4.381) 4.526 2.385 ( -1.337 0.000 -1.807) 2.248 2.501 ( 5.888 0.000 1.817) 6.162 2.627 ( -2.680 0.000 -0.165) 2.685 2.666 ( -0.400 0.000 -0.915) 0.998 2.733 ( -1.480 0.000 -0.320) 1.514 2.777 ( -0.316 0.000 1.112) 1.156 2.850 ( -1.058 0.000 -1.449) 1.794 2.911 ( 2.055 0.000 -0.536) 2.124 3.096 ( -1.741 0.000 -0.002) 1.741 3.123 ( 0.053 0.000 -0.477) 0.480 3.354 ( -1.852 0.000 -4.694) 5.046 3.445 ( 2.181 0.000 2.966) 3.682 3.619 ( -4.792 0.000 -1.603) 5.053 3.708 ( 2.238 0.000 1.228) 2.553 3.749 ( -2.843 0.000 -3.769) 4.721 3.753 ( -0.639 0.000 0.623) 0.892 3.931 ( 3.197 0.000 -0.560) 3.246 3.935 ( 2.985 0.000 1.426) 3.308 4.153 ( -1.430 0.000 1.946) 2.415 4.205 ( 1.389 0.000 0.247) 1.411 4.578 ( -1.050 0.000 -1.902) 2.173 4.585 ( -1.136 0.000 1.561) 1.931 5.027 ( -1.218 0.000 0.743) 1.427 5.066 ( 1.176 0.000 -0.645) 1.342 5.468 ( 0.463 0.000 -1.554) 1.621 5.471 ( 0.494 0.000 0.727) 0.879 5.967 ( -4.200 0.000 3.785) 5.654 6.049 ( -1.646 0.000 -2.722) 3.181 6.119 ( 0.105 0.000 -4.444) 4.446 6.147 ( -0.584 0.000 3.545) 3.592 6.509 ( 0.393 0.000 -2.265) 2.299 6.526 ( 0.030 0.000 2.430) 2.431 6.769 ( 0.504 0.000 -1.407) 1.494 6.770 ( 1.133 0.000 2.663) 2.894 6.813 ( 1.577 0.000 1.903) 2.471 6.839 ( 4.180 0.000 -2.737) 4.996 7.138 ( -0.626 0.000 0.156) 0.645 7.160 ( 0.705 0.000 0.893) 1.137 7.432 ( 0.613 0.000 -0.989) 1.164 7.435 ( 0.469 0.000 1.486) 1.558 7.787 ( -1.692 0.000 -0.920) 1.926 7.794 ( -1.192 0.000 -0.013) 1.192 8.009 ( -0.452 0.000 -3.115) 3.148 8.087 ( 3.220 0.000 3.044) 4.432 8.294 ( -0.158 0.000 -0.360) 0.393 8.309 ( 0.506 0.000 0.262) 0.570 9.660 ( -1.501 0.000 -0.415) 1.558 9.683 ( -0.097 0.000 0.313) 0.327 11.315 ( -0.721 0.000 0.172) 0.741 11.348 ( 1.269 0.000 -0.157) 1.279 11.678 ( -1.775 0.000 -4.627) 4.956 11.762 ( 1.862 0.000 3.533) 3.993 12.201 ( -0.146 0.000 1.179) 1.188 12.212 ( 0.403 0.000 -0.552) 0.683 12.406 ( 0.087 0.000 -2.717) 2.718 12.410 ( -0.741 0.000 3.652) 3.726 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -1.391 0.000 2.768) 3.098 0.378 ( 0.226 0.000 -0.898) 0.926 0.574 ( -0.124 0.000 0.035) 0.129 0.585 ( -2.220 0.000 10.816) 11.041 0.719 ( -4.763 0.000 2.746) 5.498 0.764 ( -2.555 0.000 -0.981) 2.737 0.839 ( -4.037 0.000 1.241) 4.223 0.845 ( -1.621 0.000 2.086) 2.642 0.924 ( -4.218 0.000 -0.252) 4.225 0.981 ( -1.034 0.000 2.309) 2.530 1.035 ( -7.020 0.000 2.347) 7.402 1.055 ( -3.183 0.000 -0.561) 3.232 1.153 ( -3.119 0.000 4.834) 5.753 1.283 ( -0.700 0.000 -1.239) 1.423 1.337 ( -6.025 0.000 2.049) 6.364 1.379 ( -2.132 0.000 1.225) 2.459 1.470 ( 0.839 0.000 -0.130) 0.849 1.485 ( 4.779 0.000 -2.145) 5.238 1.645 ( -2.801 0.000 1.106) 3.011 1.810 ( -1.699 0.000 1.930) 2.572 1.840 ( 1.231 0.000 -0.398) 1.294 1.941 ( 1.834 0.000 0.308) 1.859 1.988 ( 0.820 0.000 4.433) 4.508 2.035 ( 0.716 0.000 1.875) 2.007 2.149 ( 4.415 0.000 -2.442) 5.046 2.250 ( -0.501 0.000 2.749) 2.795 2.263 ( 1.509 0.000 0.205) 1.523 2.377 ( 1.537 0.000 1.621) 2.234 2.382 ( 1.402 0.000 0.417) 1.463 2.550 ( -1.169 0.000 -3.063) 3.279 2.641 ( -0.902 0.000 -1.675) 1.902 2.666 ( 3.378 0.000 2.805) 4.391 2.688 ( -0.737 0.000 -0.707) 1.021 2.736 ( -3.864 0.000 -1.208) 4.048 2.853 ( 1.485 0.000 1.071) 1.831 2.934 ( 2.012 0.000 -1.756) 2.671 3.060 ( -0.373 0.000 -1.521) 1.566 3.125 ( 0.187 0.000 0.453) 0.490 3.280 ( -1.044 0.000 -3.374) 3.532 3.452 ( 0.125 0.000 -5.388) 5.390 3.467 ( -7.049 0.000 -5.545) 8.968 3.650 ( -2.357 0.000 -4.200) 4.816 3.771 ( 1.732 0.000 0.346) 1.766 3.780 ( 2.552 0.000 3.247) 4.130 3.958 ( 1.783 0.000 -1.888) 2.597 3.992 ( 2.042 0.000 0.259) 2.058 4.178 ( -0.420 0.000 4.536) 4.555 4.242 ( 0.762 0.000 2.602) 2.712 4.542 ( -0.762 0.000 -1.091) 1.331 4.576 ( -1.796 0.000 1.431) 2.297 5.022 ( -0.954 0.000 1.433) 1.721 5.072 ( 0.845 0.000 -1.355) 1.597 5.466 ( 0.580 0.000 -0.191) 0.610 5.495 ( 1.286 0.000 1.114) 1.701 5.942 ( -3.399 0.000 2.978) 4.519 5.946 ( -6.119 0.000 -2.185) 6.497 6.081 ( 1.666 0.000 -4.689) 4.976 6.153 ( -2.840 0.000 1.959) 3.450 6.514 ( 2.544 0.000 -1.411) 2.909 6.565 ( 1.733 0.000 2.104) 2.726 6.760 ( 1.050 0.000 -2.204) 2.441 6.807 ( 1.169 0.000 -0.020) 1.169 6.877 ( 2.027 0.000 2.938) 3.570 6.883 ( 3.900 0.000 -2.446) 4.603 7.137 ( -0.305 0.000 1.085) 1.128 7.202 ( 1.748 0.000 2.874) 3.364 7.437 ( 0.872 0.000 -0.557) 1.035 7.459 ( 0.469 0.000 0.758) 0.892 7.740 ( -2.112 0.000 -0.291) 2.132 7.765 ( -1.583 0.000 -0.511) 1.664 7.976 ( 0.246 0.000 -2.218) 2.232 8.169 ( 2.888 0.000 1.686) 3.344 8.292 ( 0.047 0.000 0.180) 0.186 8.321 ( 0.267 0.000 0.956) 0.992 9.626 ( -1.840 0.000 -0.253) 1.857 9.677 ( -0.765 0.000 -0.581) 0.961 11.309 ( -0.435 0.000 0.551) 0.702 11.357 ( 0.368 0.000 -1.219) 1.273 11.613 ( -0.655 0.000 -1.756) 1.874 11.816 ( 0.543 0.000 1.913) 1.989 12.209 ( 0.172 0.000 -0.719) 0.740 12.219 ( 0.830 0.000 0.674) 1.069 12.385 ( 0.817 0.000 -2.140) 2.290 12.446 ( -0.201 0.000 3.716) 3.721 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -3.154 0.000 7.504) 8.140 0.375 ( -3.238 0.000 6.166) 6.965 0.569 ( -5.369 0.000 2.138) 5.779 0.588 ( 0.032 0.000 2.089) 2.089 0.708 ( -0.987 0.000 0.172) 1.002 0.723 ( 0.283 0.000 -2.871) 2.885 0.808 ( -1.424 0.000 1.366) 1.973 0.834 ( -2.395 0.000 1.565) 2.861 0.899 ( -1.556 0.000 1.693) 2.299 0.968 ( -4.580 0.000 -2.305) 5.127 0.999 ( -3.319 0.000 10.601) 11.108 1.022 ( 1.779 0.000 2.913) 3.413 1.152 ( -4.926 0.000 8.841) 10.121 1.234 ( -2.885 0.000 -0.780) 2.989 1.289 ( -3.563 0.000 0.914) 3.679 1.373 ( 1.507 0.000 -0.765) 1.690 1.479 ( 0.440 0.000 -0.807) 0.919 1.538 ( 3.081 0.000 -2.092) 3.724 1.651 ( 0.115 0.000 4.255) 4.257 1.803 ( -1.629 0.000 1.670) 2.333 1.867 ( 2.099 0.000 0.714) 2.217 2.004 ( 3.953 0.000 1.264) 4.151 2.016 ( -0.176 0.000 -0.124) 0.215 2.096 ( -0.773 0.000 6.218) 6.266 2.180 ( 2.370 0.000 -1.153) 2.636 2.236 ( -1.415 0.000 -0.856) 1.654 2.271 ( -1.218 0.000 3.800) 3.990 2.397 ( -1.200 0.000 -1.899) 2.246 2.458 ( 3.225 0.000 2.507) 4.085 2.499 ( 1.722 0.000 -3.622) 4.010 2.576 ( -3.820 0.000 -1.975) 4.300 2.618 ( -2.366 0.000 0.195) 2.374 2.672 ( -1.401 0.000 -0.710) 1.570 2.742 ( 1.565 0.000 -5.541) 5.758 2.891 ( 0.126 0.000 2.960) 2.962 2.939 ( 2.204 0.000 -3.119) 3.819 3.075 ( 2.643 0.000 -1.235) 2.917 3.123 ( -0.595 0.000 -0.499) 0.776 3.256 ( -1.301 0.000 3.807) 4.024 3.302 ( -2.023 0.000 -6.988) 7.275 3.359 ( -0.524 0.000 -8.478) 8.494 3.561 ( -3.240 0.000 -3.672) 4.897 3.808 ( 2.024 0.000 0.493) 2.083 3.866 ( 2.965 0.000 2.224) 3.706 3.947 ( -0.026 0.000 -2.141) 2.141 4.003 ( -0.494 0.000 -0.548) 0.738 4.232 ( 0.181 0.000 4.523) 4.527 4.281 ( 0.295 0.000 2.274) 2.293 4.535 ( 0.506 0.000 0.256) 0.568 4.564 ( -1.562 0.000 1.429) 2.117 5.024 ( -1.086 0.000 1.625) 1.954 5.067 ( 1.223 0.000 -2.374) 2.670 5.482 ( 0.934 0.000 0.842) 1.257 5.536 ( 1.380 0.000 1.093) 1.760 5.839 ( -3.538 0.000 -0.027) 3.538 5.923 ( -2.395 0.000 2.594) 3.530 6.063 ( 2.410 0.000 -4.410) 5.025 6.092 ( -5.330 0.000 -0.229) 5.335 6.550 ( 2.863 0.000 -0.725) 2.953 6.612 ( 0.269 0.000 0.690) 0.741 6.754 ( 1.319 0.000 -1.766) 2.204 6.810 ( -0.104 0.000 -0.946) 0.952 6.909 ( 2.695 0.000 -1.983) 3.346 6.925 ( 0.241 0.000 1.562) 1.581 7.155 ( 0.396 0.000 1.907) 1.947 7.252 ( 0.659 0.000 -0.067) 0.662 7.446 ( 0.609 0.000 -0.074) 0.613 7.456 ( -0.510 0.000 -0.253) 0.569 7.734 ( -0.343 0.000 0.862) 0.927 7.735 ( -0.879 0.000 -0.754) 1.158 7.995 ( 3.296 0.000 2.176) 3.950 8.207 ( 0.378 0.000 -0.673) 0.772 8.301 ( 0.312 0.000 1.030) 1.076 8.344 ( 1.171 0.000 0.594) 1.313 9.599 ( -1.076 0.000 0.146) 1.086 9.638 ( -2.227 0.000 -1.162) 2.512 11.312 ( -0.266 0.000 0.971) 1.007 11.345 ( 0.273 0.000 -0.724) 0.774 11.636 ( 2.817 0.000 2.174) 3.558 11.820 ( -1.387 0.000 -0.076) 1.389 12.207 ( 0.386 0.000 -0.226) 0.448 12.237 ( 0.898 0.000 -0.445) 1.002 12.384 ( 1.801 0.000 -1.961) 2.663 12.453 ( -2.945 0.000 -0.072) 2.946 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 3.654 -1.777 4.927) 6.387 0.496 ( -2.036 -0.718 -0.188) 2.167 0.593 ( -1.457 5.670 2.978) 6.568 0.631 ( -0.114 3.598 0.061) 3.600 0.710 ( 0.143 4.879 1.806) 5.204 0.754 ( 2.206 3.722 -1.992) 4.763 0.789 ( 1.901 -0.444 0.085) 1.954 0.807 ( -3.294 2.274 -0.823) 4.087 0.893 ( 0.288 1.264 1.142) 1.727 0.927 ( -0.288 1.988 -2.254) 3.020 1.072 ( -0.648 1.223 3.059) 3.358 1.121 ( 1.412 2.804 -1.222) 3.369 1.211 ( 0.831 1.119 1.598) 2.120 1.241 ( -1.369 2.371 -0.408) 2.769 1.318 ( -0.042 2.391 11.306) 11.556 1.407 ( -2.015 1.259 0.824) 2.515 1.485 ( 0.010 2.832 -1.152) 3.057 1.525 ( 1.744 -1.023 -3.897) 4.390 1.718 ( 0.909 0.192 3.684) 3.799 1.764 ( -0.353 -1.128 -0.734) 1.391 1.926 ( 2.230 0.219 3.100) 3.825 1.971 ( -1.812 -0.448 -1.072) 2.152 2.090 ( 1.848 -0.763 2.055) 2.867 2.125 ( -1.900 2.188 -0.094) 2.899 2.201 ( 1.641 -0.426 1.836) 2.499 2.240 ( -2.302 1.548 -0.632) 2.845 2.307 ( -0.239 -0.631 6.093) 6.130 2.366 ( -0.120 -0.517 1.355) 1.456 2.442 ( -0.872 -2.372 -0.130) 2.530 2.506 ( -0.856 -0.072 -0.708) 1.113 2.535 ( 0.269 0.600 -1.310) 1.466 2.611 ( 2.168 -1.146 -3.091) 3.946 2.644 ( -1.833 1.053 -3.183) 3.821 2.675 ( 1.748 1.457 -3.755) 4.391 2.871 ( -1.978 -1.390 2.210) 3.276 2.957 ( 0.160 -0.133 -6.189) 6.192 3.086 ( -1.470 0.808 2.383) 2.915 3.121 ( 0.517 1.015 -0.840) 1.416 3.243 ( 0.603 -0.529 -2.370) 2.502 3.260 ( 1.315 0.484 -3.393) 3.671 3.372 ( 2.719 2.347 3.551) 5.050 3.468 ( -2.147 1.116 -5.153) 5.692 3.840 ( 1.735 -0.400 1.460) 2.302 3.873 ( -2.402 -0.118 -1.851) 3.035 3.980 ( -0.123 1.844 0.758) 1.998 3.992 ( 0.358 1.731 -0.492) 1.834 4.267 ( -0.045 -0.886 3.150) 3.272 4.293 ( -0.187 -0.646 0.353) 0.759 4.560 ( 1.069 0.498 0.581) 1.315 4.562 ( -0.917 0.766 0.430) 1.270 5.009 ( -0.574 -1.116 1.866) 2.248 5.051 ( 0.738 -0.857 -2.466) 2.712 5.505 ( 2.760 -1.080 2.631) 3.963 5.552 ( -2.191 0.877 -2.291) 3.289 5.908 ( 3.898 3.862 1.722) 5.751 5.939 ( -2.625 2.714 -0.496) 3.809 6.017 ( -3.672 2.515 1.698) 4.764 6.084 ( 2.453 1.907 -4.303) 5.308 6.547 ( -2.571 -2.718 1.953) 4.221 6.579 ( 2.113 -1.438 -1.224) 2.833 6.736 ( 0.219 -2.847 0.440) 2.889 6.754 ( -0.729 -2.391 -1.276) 2.807 6.899 ( -1.636 -2.293 0.600) 2.880 6.912 ( 1.540 -2.732 -0.715) 3.217 7.194 ( 0.450 0.385 2.007) 2.093 7.223 ( -0.941 -0.497 -0.837) 1.354 7.430 ( 0.612 -1.975 0.423) 2.110 7.440 ( -0.473 -1.240 -0.680) 1.491 7.732 ( 0.183 1.319 0.704) 1.506 7.749 ( -0.230 1.743 -1.123) 2.086 8.087 ( 3.227 -1.166 3.501) 4.902 8.149 ( -2.886 -1.199 -2.865) 4.240 8.321 ( 0.200 -0.219 1.422) 1.453 8.346 ( 0.320 -0.736 -1.034) 1.309 9.598 ( 0.342 0.027 0.190) 0.392 9.602 ( -0.392 -0.049 -0.261) 0.474 11.317 ( -0.241 -0.380 1.003) 1.100 11.338 ( 0.402 -0.672 -1.147) 1.389 11.710 ( 3.595 -1.730 2.840) 4.897 11.760 ( -2.623 -0.997 -2.433) 3.714 12.195 ( -1.498 -1.815 1.296) 2.686 12.218 ( 0.955 -0.943 -1.202) 1.801 12.380 ( -1.845 0.950 2.091) 2.946 12.419 ( 0.745 0.986 -1.975) 2.330 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -2.755 -4.128 -2.864) 5.730 0.547 ( 1.146 0.351 0.214) 1.218 0.601 ( -0.464 3.443 1.411) 3.750 0.628 ( 0.268 4.267 -0.940) 4.378 0.734 ( 0.081 3.315 -1.202) 3.527 0.745 ( 2.224 3.479 -1.388) 4.356 0.790 ( 2.621 -0.272 2.249) 3.465 0.864 ( 3.044 1.644 -0.277) 3.471 0.927 ( 2.973 1.309 -0.474) 3.283 0.941 ( 3.600 2.563 0.980) 4.527 1.083 ( -1.053 1.699 0.607) 2.089 1.121 ( 1.744 1.008 -3.512) 4.049 1.187 ( -0.965 0.133 1.432) 1.732 1.279 ( 1.901 2.295 1.291) 3.248 1.380 ( -0.028 0.015 -1.663) 1.664 1.421 ( -1.071 3.231 0.533) 3.445 1.467 ( 1.318 0.244 0.207) 1.357 1.532 ( 2.775 1.124 -1.311) 3.268 1.742 ( 1.282 0.753 -2.606) 3.001 1.778 ( 1.479 -1.076 1.163) 2.168 1.912 ( -1.673 0.705 -3.054) 3.553 1.983 ( 0.542 -0.465 1.565) 1.720 2.047 ( -4.065 0.791 -1.709) 4.480 2.104 ( -2.751 -2.105 0.892) 3.577 2.192 ( -0.946 2.287 -1.230) 2.763 2.261 ( 0.462 2.368 2.997) 3.847 2.329 ( 0.012 -2.133 -1.532) 2.626 2.403 ( 1.821 -0.360 1.312) 2.273 2.417 ( -1.994 -1.542 -1.780) 3.086 2.513 ( 1.207 -0.337 2.419) 2.724 2.560 ( 2.039 -0.131 1.569) 2.576 2.582 ( 2.260 0.682 -0.918) 2.533 2.644 ( -0.387 0.691 -0.616) 1.003 2.681 ( 2.552 1.369 -0.637) 2.966 2.837 ( -4.123 -1.119 3.990) 5.845 2.950 ( 1.574 -1.061 0.432) 1.947 3.083 ( -1.383 0.516 1.122) 1.854 3.119 ( -2.233 2.628 -1.771) 3.877 3.187 ( -1.055 -1.319 1.557) 2.297 3.264 ( 0.493 0.213 -0.800) 0.963 3.391 ( 1.359 1.527 -5.366) 5.742 3.495 ( 4.490 0.862 4.145) 6.171 3.805 ( -2.283 -0.295 -0.583) 2.374 3.900 ( 0.970 1.497 1.762) 2.507 3.947 ( -1.877 1.431 -0.199) 2.368 4.013 ( 0.806 1.877 -0.301) 2.065 4.275 ( -0.755 -1.141 -0.648) 1.514 4.296 ( 0.132 -0.180 0.232) 0.322 4.541 ( -1.040 0.266 -0.294) 1.113 4.591 ( 1.605 0.810 -0.159) 1.805 5.018 ( -0.136 -0.537 0.957) 1.106 5.047 ( 1.194 -1.056 -1.064) 1.916 5.485 ( -1.478 -0.781 -2.279) 2.826 5.581 ( 2.166 1.346 0.962) 2.725 5.872 ( -1.514 1.580 -1.919) 2.911 5.972 ( 0.150 2.619 1.795) 3.179 6.023 ( 1.007 3.958 2.161) 4.621 6.112 ( 4.753 0.615 -1.535) 5.033 6.513 ( -3.413 -1.619 1.639) 4.117 6.590 ( 0.115 -3.008 -1.426) 3.331 6.711 ( -1.936 -1.722 0.558) 2.651 6.760 ( 0.260 -2.692 0.678) 2.788 6.872 ( -2.045 -1.473 0.859) 2.662 6.925 ( 0.490 -2.641 -0.681) 2.771 7.186 ( -1.479 -0.535 -1.002) 1.865 7.225 ( 0.087 -0.099 1.461) 1.467 7.417 ( -0.682 -1.681 -0.298) 1.838 7.457 ( 1.054 -0.878 0.217) 1.389 7.718 ( -0.588 0.438 -0.038) 0.734 7.767 ( 1.302 1.536 0.093) 2.015 8.046 ( -4.187 -0.491 -3.275) 5.338 8.160 ( 0.792 -1.181 2.706) 3.057 8.324 ( -0.688 -0.627 -0.992) 1.361 8.338 ( -0.016 -0.260 0.141) 0.296 9.603 ( 0.966 -0.085 -0.223) 0.995 9.622 ( 1.721 -0.136 0.315) 1.755 11.320 ( -0.356 -0.719 0.194) 0.826 11.333 ( 0.288 -0.243 -0.321) 0.495 11.672 ( -3.236 -1.054 -2.950) 4.504 11.792 ( 2.468 -1.762 1.410) 3.345 12.180 ( -1.792 -1.470 1.502) 2.762 12.224 ( 0.625 -0.482 -0.630) 1.010 12.361 ( -1.618 1.534 1.305) 2.584 12.449 ( 2.565 -0.080 0.091) 2.568 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -0.592 -2.541 -1.461) 2.990 0.508 ( -3.138 6.737 -1.652) 7.613 0.591 ( 0.638 0.046 -1.087) 1.261 0.659 ( 1.552 -0.620 -0.836) 1.869 0.714 ( 1.018 1.392 -1.026) 2.007 0.803 ( 3.501 1.781 1.469) 4.194 0.858 ( 2.793 0.246 -0.437) 2.838 0.906 ( 1.886 1.460 0.012) 2.384 0.975 ( 2.845 1.867 -0.701) 3.474 1.021 ( 4.634 0.144 -0.807) 4.706 1.071 ( 2.119 1.363 -2.137) 3.303 1.108 ( 2.003 0.807 -3.224) 3.880 1.223 ( 0.756 -0.613 2.745) 2.913 1.278 ( 1.095 0.305 -5.112) 5.237 1.359 ( -0.914 2.075 -1.179) 2.556 1.408 ( -0.840 2.544 2.577) 3.718 1.456 ( -0.974 -0.893 -2.652) 2.963 1.568 ( 2.229 2.237 -1.188) 3.373 1.744 ( 3.071 2.167 -4.288) 5.702 1.789 ( -0.118 -1.614 0.037) 1.619 1.881 ( 2.099 0.701 -2.561) 3.385 1.945 ( -3.000 -2.224 -2.878) 4.715 1.996 ( -1.445 -0.246 0.807) 1.673 2.066 ( -1.889 -0.593 -0.067) 1.981 2.151 ( -0.910 0.936 -2.502) 2.822 2.261 ( -1.782 -0.265 -2.073) 2.746 2.328 ( 1.547 1.130 -2.216) 2.929 2.378 ( 0.558 -1.479 -2.539) 2.991 2.423 ( 1.316 0.618 -0.503) 1.539 2.509 ( -2.055 1.371 0.798) 2.596 2.601 ( 0.700 -1.057 -0.615) 1.408 2.646 ( 2.042 -1.551 2.557) 3.621 2.675 ( 1.146 0.629 3.911) 4.123 2.744 ( 2.759 1.373 2.445) 3.934 2.840 ( -1.642 -0.909 2.803) 3.373 2.954 ( -2.127 2.888 -0.794) 3.674 3.021 ( -3.621 2.139 3.282) 5.335 3.120 ( -0.101 0.237 2.357) 2.371 3.190 ( -2.070 -1.252 3.117) 3.945 3.291 ( 1.457 -2.119 3.515) 4.355 3.416 ( 5.486 -0.618 -0.362) 5.533 3.595 ( 2.500 0.258 2.497) 3.543 3.785 ( 0.182 2.104 0.236) 2.125 3.883 ( -2.704 3.118 0.261) 4.136 3.940 ( -0.544 1.910 -0.276) 2.005 4.006 ( -1.133 1.594 -0.098) 1.957 4.244 ( -0.346 -1.158 -2.877) 3.120 4.286 ( -0.465 0.052 -1.525) 1.595 4.530 ( -0.030 0.317 0.281) 0.425 4.610 ( 1.420 0.938 -0.810) 1.885 5.031 ( 1.031 -0.850 -0.381) 1.390 5.056 ( 0.260 -0.153 0.261) 0.399 5.456 ( 0.564 -0.732 -1.479) 1.744 5.583 ( -1.012 3.326 -1.640) 3.844 5.881 ( 3.051 -1.613 0.622) 3.507 5.989 ( -0.912 2.257 3.176) 4.001 6.062 ( 2.345 3.155 -0.567) 3.972 6.179 ( 3.506 0.231 -0.465) 3.544 6.474 ( -3.005 -1.413 1.279) 3.558 6.548 ( -2.478 -3.149 -0.917) 4.111 6.704 ( -0.697 -1.459 1.578) 2.259 6.761 ( -1.017 -2.568 0.698) 2.849 6.854 ( -1.835 -0.214 1.138) 2.170 6.910 ( -0.765 -1.792 -1.421) 2.412 7.151 ( -0.856 -1.131 -1.315) 1.934 7.225 ( -1.089 -0.714 -0.360) 1.351 7.404 ( -0.512 -1.445 -0.140) 1.539 7.474 ( 0.310 0.103 0.539) 0.631 7.721 ( 0.897 -1.103 -0.089) 1.425 7.777 ( 0.175 0.615 -0.243) 0.684 7.967 ( -1.699 0.691 -0.621) 1.937 8.173 ( -1.574 -0.760 0.661) 1.869 8.300 ( -0.445 -0.560 -0.983) 1.216 8.333 ( -0.292 -0.426 -0.539) 0.747 9.624 ( 1.645 -0.010 -0.096) 1.648 9.656 ( 1.510 -0.501 0.522) 1.675 11.314 ( -0.046 -0.769 -0.369) 0.854 11.339 ( 0.158 0.037 0.453) 0.481 11.602 ( -1.531 -1.047 -1.332) 2.284 11.823 ( 0.443 -1.690 -0.296) 1.772 12.175 ( -1.171 -1.068 1.830) 2.421 12.221 ( -0.017 -0.212 -0.634) 0.669 12.361 ( -0.181 1.052 1.099) 1.532 12.480 ( 1.107 -0.306 -0.521) 1.261 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -0.400 1.807 0.650) 1.961 0.439 ( -2.621 6.940 -1.443) 7.557 0.585 ( 0.214 1.113 -1.442) 1.834 0.655 ( 0.333 0.090 -0.643) 0.730 0.754 ( 3.072 -1.597 -0.100) 3.464 0.853 ( 0.872 0.337 -1.535) 1.798 0.892 ( 2.525 -0.551 -0.529) 2.638 0.914 ( 0.188 1.514 -0.908) 1.775 1.005 ( 3.506 1.227 -2.561) 4.512 1.041 ( 1.531 1.579 -2.016) 2.984 1.102 ( 0.183 0.063 -1.691) 1.703 1.126 ( 4.010 0.748 -1.888) 4.495 1.234 ( 0.926 1.110 -3.743) 4.013 1.270 ( -0.365 0.276 0.959) 1.062 1.331 ( -2.584 0.070 1.656) 3.070 1.392 ( 2.219 -3.366 -2.394) 4.689 1.429 ( -0.531 0.103 -0.562) 0.780 1.590 ( 0.083 1.073 1.363) 1.736 1.750 ( 2.195 0.970 -1.362) 2.759 1.794 ( 0.420 -2.087 -1.452) 2.577 1.823 ( -2.906 -4.649 -3.101) 6.299 1.937 ( 2.252 0.746 -2.159) 3.208 1.995 ( 2.094 2.586 -0.598) 3.381 2.044 ( 0.142 1.449 -0.977) 1.753 2.097 ( -0.512 1.849 -4.418) 4.817 2.203 ( -2.716 1.154 0.280) 2.964 2.292 ( -0.418 1.057 -3.846) 4.011 2.370 ( 0.210 0.338 -1.740) 1.785 2.433 ( 0.760 1.753 0.448) 1.962 2.493 ( -3.682 -2.187 1.286) 4.472 2.607 ( -0.584 -0.957 -0.723) 1.334 2.654 ( -0.890 0.070 -1.779) 1.991 2.714 ( 1.140 -0.233 2.277) 2.557 2.788 ( -0.043 0.452 1.032) 1.128 2.839 ( 0.681 -0.080 0.415) 0.801 2.911 ( -1.392 1.552 0.384) 2.119 3.077 ( 2.136 1.454 4.181) 4.915 3.120 ( -1.425 0.330 1.114) 1.838 3.225 ( -0.230 -0.722 6.397) 6.441 3.383 ( 0.791 -1.896 7.044) 7.337 3.536 ( 5.651 -2.639 3.252) 7.033 3.645 ( 0.340 0.078 2.984) 3.004 3.797 ( 0.185 2.773 0.020) 2.779 3.842 ( -1.818 6.451 -1.944) 6.979 3.906 ( -0.584 0.337 -1.351) 1.510 3.981 ( -2.368 2.302 0.833) 3.405 4.203 ( 0.148 -1.212 -3.474) 3.682 4.247 ( -0.828 0.215 -3.134) 3.249 4.548 ( 0.735 0.559 1.533) 1.790 4.620 ( 0.952 0.818 -1.101) 1.670 5.040 ( 0.821 -0.580 -0.675) 1.211 5.059 ( -0.228 0.078 0.042) 0.244 5.464 ( 1.474 0.862 -0.482) 1.774 5.539 ( -1.117 3.068 -2.006) 3.832 5.950 ( 2.853 -3.217 1.219) 4.470 6.022 ( -0.577 1.821 4.110) 4.532 6.085 ( 1.914 0.879 -1.393) 2.525 6.202 ( 0.750 0.696 -1.835) 2.101 6.453 ( -1.308 -1.126 1.984) 2.630 6.513 ( -1.067 -2.474 0.418) 2.727 6.713 ( -0.798 -2.162 1.688) 2.857 6.748 ( -0.805 -1.922 0.161) 2.090 6.827 ( -2.273 0.725 0.516) 2.441 6.870 ( -0.963 -0.751 -2.495) 2.778 7.132 ( 0.125 -1.761 -0.923) 1.992 7.185 ( -1.367 -0.678 -2.165) 2.649 7.400 ( -0.074 -0.884 0.567) 1.053 7.470 ( -0.761 0.469 -0.650) 1.105 7.748 ( 1.870 -1.586 0.641) 2.535 7.781 ( 0.085 -0.884 0.492) 1.015 7.967 ( 0.152 0.906 1.929) 2.137 8.130 ( -2.421 -0.222 -1.557) 2.887 8.289 ( 0.025 -0.665 -0.372) 0.762 8.318 ( -0.286 -0.513 -1.056) 1.208 9.652 ( 1.395 -0.014 0.248) 1.417 9.678 ( 0.515 -0.497 0.188) 0.740 11.313 ( 0.255 -0.748 -0.168) 0.809 11.340 ( -0.536 -0.276 -0.023) 0.604 11.602 ( 1.040 -1.043 2.045) 2.520 11.803 ( -1.017 -1.659 -2.212) 2.946 12.179 ( -0.996 -0.974 1.936) 2.385 12.213 ( 0.168 -0.084 -0.749) 0.772 12.376 ( 0.205 1.040 1.334) 1.703 12.474 ( 0.173 0.090 -2.123) 2.132 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -0.081 5.883 2.343) 6.333 0.398 ( 0.060 6.305 -0.848) 6.362 0.579 ( -0.377 0.399 0.401) 0.680 0.637 ( -0.097 1.128 -3.344) 3.530 0.797 ( 0.439 -1.172 0.782) 1.475 0.825 ( 0.022 0.227 -2.719) 2.729 0.892 ( -0.549 -0.012 -0.420) 0.691 0.910 ( -0.530 -0.276 -1.013) 1.176 1.040 ( 1.759 0.103 0.045) 1.763 1.048 ( -0.393 0.447 -0.221) 0.635 1.078 ( -0.051 2.775 -0.071) 2.776 1.115 ( -1.874 1.258 -3.444) 4.118 1.208 ( -2.890 0.432 -0.187) 2.928 1.229 ( 2.440 -0.350 -2.159) 3.276 1.345 ( 1.687 1.185 2.239) 3.044 1.387 ( -1.717 0.437 -1.840) 2.554 1.516 ( 7.804 -6.720 1.893) 10.471 1.549 ( -5.459 -3.313 -0.959) 6.457 1.734 ( -1.446 -2.943 -0.175) 3.283 1.775 ( 1.952 -1.211 -4.259) 4.839 1.829 ( 0.940 -1.143 3.193) 3.519 1.901 ( -1.299 -0.734 -3.952) 4.224 2.011 ( -0.966 0.950 -0.246) 1.377 2.025 ( 0.952 0.869 -1.591) 2.048 2.097 ( -3.797 5.008 1.359) 6.430 2.148 ( 3.444 6.724 -3.798) 8.456 2.298 ( 1.658 2.259 3.415) 4.417 2.356 ( -3.521 1.920 -2.102) 4.528 2.405 ( 0.864 0.426 0.466) 1.070 2.429 ( -1.115 -0.256 -2.004) 2.307 2.607 ( 1.150 -3.517 0.734) 3.772 2.630 ( -1.201 -2.922 -1.485) 3.491 2.752 ( -0.955 0.479 1.989) 2.258 2.776 ( 0.812 0.165 -0.577) 1.010 2.875 ( 0.090 0.401 1.737) 1.785 2.902 ( 0.762 1.056 -1.021) 1.655 3.110 ( -1.081 -0.197 1.386) 1.769 3.128 ( 0.951 0.324 -0.349) 1.063 3.334 ( 2.285 0.000 7.869) 8.194 3.420 ( -1.589 -0.151 -0.490) 1.670 3.663 ( 3.036 -1.819 5.003) 6.128 3.689 ( -1.110 0.330 4.294) 4.448 3.765 ( -1.830 3.357 -2.620) 4.635 3.786 ( -0.010 1.058 -2.012) 2.273 3.927 ( 1.492 3.073 0.442) 3.445 3.940 ( -1.280 2.698 -0.762) 3.082 4.175 ( -0.448 -0.668 -1.293) 1.523 4.197 ( 0.147 0.147 -3.154) 3.160 4.578 ( 0.101 0.598 1.987) 2.078 4.613 ( 0.025 0.594 -1.589) 1.697 5.041 ( -1.074 -0.291 0.474) 1.210 5.055 ( 1.052 0.071 -0.990) 1.446 5.485 ( 0.684 2.348 0.271) 2.461 5.506 ( 0.030 2.166 -1.888) 2.874 5.987 ( -2.647 -0.983 3.253) 4.308 6.036 ( 1.233 -2.018 -0.698) 2.466 6.120 ( 1.926 0.612 1.355) 2.433 6.172 ( -0.648 1.206 -2.943) 3.246 6.472 ( -0.469 -1.734 2.818) 3.342 6.511 ( 0.434 -2.034 -0.746) 2.209 6.713 ( -1.439 -2.220 2.355) 3.542 6.747 ( 1.010 -1.905 -0.957) 2.359 6.803 ( -1.178 1.299 0.793) 1.925 6.836 ( 1.111 -0.008 -2.639) 2.863 7.130 ( 0.318 -1.676 -0.112) 1.710 7.144 ( -0.667 -0.933 -1.551) 1.929 7.416 ( 0.466 0.030 1.329) 1.409 7.443 ( -0.621 0.071 -1.403) 1.536 7.780 ( -0.360 -1.647 0.677) 1.817 7.786 ( 0.752 -1.793 0.138) 1.950 8.010 ( 1.625 0.577 3.025) 3.482 8.067 ( -1.723 0.213 -2.834) 3.324 8.291 ( 0.264 -0.681 0.114) 0.739 8.302 ( -0.110 -0.445 -1.014) 1.113 9.673 ( 0.406 -0.173 0.412) 0.603 9.679 ( -0.372 -0.273 -0.188) 0.498 11.319 ( 0.000 -0.820 0.291) 0.870 11.326 ( -0.091 -0.460 -0.466) 0.661 11.669 ( 2.223 -1.151 3.803) 4.553 11.743 ( -1.724 -1.598 -3.836) 4.499 12.184 ( -0.969 -0.919 1.814) 2.253 12.211 ( 0.661 -0.112 -0.945) 1.159 12.397 ( -0.132 1.142 2.139) 2.428 12.445 ( -0.134 0.424 -2.683) 2.720 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 1.390 3.444 -0.648) 3.770 0.426 ( 2.507 7.412 -0.247) 7.828 0.549 ( -3.929 0.912 2.218) 4.603 0.621 ( 0.210 1.397 0.852) 1.650 0.743 ( -4.724 -0.018 -0.686) 4.774 0.818 ( -0.548 0.407 0.107) 0.691 0.870 ( -2.654 -0.652 1.048) 2.927 0.894 ( -1.071 0.213 1.287) 1.688 1.003 ( -2.720 0.392 -1.016) 2.930 1.026 ( -2.599 1.493 -0.948) 3.144 1.073 ( -0.728 0.939 1.390) 1.829 1.101 ( -1.245 1.577 1.429) 2.465 1.177 ( -1.343 1.157 0.930) 2.002 1.274 ( 2.510 -0.461 0.540) 2.609 1.345 ( -1.277 -1.081 -0.565) 1.766 1.395 ( -1.305 -1.446 -0.728) 2.079 1.430 ( 0.974 -1.138 -1.739) 2.295 1.622 ( -1.536 1.680 -1.117) 2.536 1.712 ( -1.570 0.669 0.147) 1.713 1.759 ( 1.769 -4.513 0.804) 4.914 1.828 ( -0.433 -0.951 -1.370) 1.723 1.896 ( 0.421 -0.742 2.378) 2.526 1.978 ( -3.569 3.611 0.510) 5.103 2.023 ( -0.890 1.408 1.402) 2.177 2.049 ( 2.492 -0.547 0.055) 2.552 2.211 ( 3.179 1.969 0.319) 3.753 2.272 ( -1.596 1.424 -1.644) 2.698 2.359 ( -1.100 0.224 0.522) 1.238 2.415 ( 1.630 3.221 1.601) 3.949 2.499 ( 6.590 -0.061 0.862) 6.646 2.590 ( -0.720 -2.136 0.250) 2.267 2.628 ( -0.576 -2.241 0.901) 2.483 2.731 ( -1.693 -0.646 0.415) 1.860 2.811 ( 2.436 0.993 -0.835) 2.759 2.846 ( -2.776 1.026 -0.603) 3.021 2.923 ( 1.825 0.826 -0.711) 2.126 3.099 ( -1.636 0.044 0.575) 1.734 3.131 ( 0.262 0.344 -0.404) 0.592 3.342 ( -2.347 -0.775 -4.734) 5.341 3.440 ( 1.737 -0.206 2.087) 2.723 3.611 ( -5.064 -0.684 -3.138) 5.996 3.728 ( -1.202 -0.521 -3.829) 4.046 3.771 ( 0.967 3.697 4.250) 5.715 3.796 ( 2.537 3.134 0.521) 4.066 3.890 ( -0.486 0.021 0.107) 0.498 3.993 ( 3.121 2.624 -0.024) 4.077 4.151 ( -1.380 -0.172 1.205) 1.840 4.201 ( 1.303 -0.296 0.570) 1.453 4.578 ( -1.335 0.331 -0.953) 1.673 4.597 ( -0.691 0.990 0.696) 1.394 5.023 ( -1.464 -0.385 0.709) 1.672 5.068 ( 1.188 0.032 -0.604) 1.333 5.471 ( -0.853 1.217 -1.116) 1.859 5.515 ( 1.320 2.870 0.321) 3.175 5.947 ( -4.207 -1.817 1.602) 4.855 6.054 ( -0.230 0.110 0.150) 0.296 6.116 ( -0.700 0.130 -3.249) 3.326 6.165 ( 0.783 1.936 1.358) 2.491 6.479 ( -0.525 -2.416 0.525) 2.527 6.513 ( 0.973 -1.376 -0.559) 1.776 6.726 ( 0.210 -2.621 0.965) 2.801 6.760 ( 1.774 -2.361 -0.920) 3.093 6.807 ( 0.564 0.237 1.662) 1.771 6.857 ( 3.129 0.649 -0.969) 3.340 7.121 ( -0.494 -1.349 0.013) 1.437 7.149 ( 0.929 -0.969 1.051) 1.705 7.414 ( -0.517 -0.800 -0.706) 1.186 7.452 ( 1.372 0.695 0.964) 1.815 7.760 ( -1.856 -1.916 -0.338) 2.689 7.792 ( -0.106 -0.812 -0.518) 0.969 8.013 ( -0.648 0.396 -2.811) 2.912 8.087 ( 2.973 0.019 2.881) 4.140 8.288 ( -0.149 -0.516 -0.225) 0.582 8.304 ( 0.578 -0.500 0.145) 0.778 9.658 ( -1.492 -0.174 -0.275) 1.527 9.679 ( -0.314 -0.429 0.166) 0.557 11.310 ( -0.570 -0.466 0.117) 0.746 11.339 ( 1.092 -0.847 0.016) 1.382 11.662 ( -1.888 -1.412 -4.125) 4.751 11.750 ( 2.104 -1.176 3.227) 4.028 12.190 ( -0.692 -0.987 1.669) 2.059 12.211 ( 0.839 -0.238 -1.262) 1.533 12.405 ( -0.966 0.449 -0.665) 1.256 12.429 ( 0.327 1.220 1.363) 1.858 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -0.446 -0.509 -3.095) 3.168 0.462 ( 0.779 7.500 2.599) 7.975 0.556 ( -1.340 0.529 4.378) 4.609 0.631 ( -1.032 1.542 1.941) 2.686 0.679 ( -3.793 0.897 3.533) 5.260 0.805 ( -2.301 0.921 1.169) 2.740 0.834 ( -2.719 -0.112 1.415) 3.068 0.890 ( -1.792 1.849 1.790) 3.136 0.947 ( -2.213 2.186 -0.263) 3.121 0.993 ( -2.958 0.355 2.168) 3.684 1.033 ( -4.111 1.355 1.093) 4.464 1.084 ( -1.693 3.188 -0.073) 3.610 1.154 ( -3.971 0.972 3.507) 5.387 1.272 ( -1.137 -0.489 -0.401) 1.301 1.341 ( -0.212 1.240 0.875) 1.532 1.405 ( 0.726 0.059 2.539) 2.642 1.461 ( 2.463 0.917 -2.295) 3.489 1.549 ( -2.285 3.830 0.370) 4.475 1.671 ( -3.566 2.736 1.840) 4.857 1.784 ( -0.438 -1.693 0.406) 1.795 1.852 ( -0.404 0.623 0.921) 1.183 1.908 ( 2.799 -3.513 0.669) 4.542 1.987 ( 1.252 0.636 2.344) 2.732 2.049 ( 1.026 0.724 1.667) 2.087 2.108 ( 3.211 -2.488 0.428) 4.084 2.237 ( 0.106 -0.342 0.362) 0.510 2.276 ( 1.429 -0.402 2.242) 2.689 2.334 ( -2.174 -0.085 0.783) 2.312 2.446 ( 1.293 1.942 -0.900) 2.500 2.547 ( 1.197 -1.036 -1.716) 2.335 2.593 ( -1.848 -2.078 0.269) 2.794 2.663 ( -0.087 -1.858 0.586) 1.950 2.720 ( 1.926 2.699 0.387) 3.338 2.774 ( -2.496 3.111 -2.375) 4.642 2.845 ( 1.476 -0.035 0.371) 1.522 2.952 ( 2.632 1.325 -0.244) 2.957 3.076 ( -0.175 1.303 -0.750) 1.514 3.135 ( 0.208 0.789 0.278) 0.862 3.261 ( -1.277 -1.594 -3.184) 3.783 3.403 ( -2.763 -2.805 -6.943) 7.982 3.489 ( -2.597 0.830 -5.641) 6.265 3.650 ( -2.134 -0.154 -3.847) 4.402 3.786 ( -0.281 2.917 0.392) 2.957 3.865 ( 2.614 5.669 2.266) 6.641 3.924 ( 2.131 -1.868 1.005) 3.006 4.019 ( 0.882 1.426 -1.260) 2.098 4.170 ( -0.327 -0.734 4.215) 4.291 4.240 ( 0.780 -0.095 2.667) 2.780 4.543 ( -0.835 0.429 -1.072) 1.424 4.589 ( -1.547 1.203 1.252) 2.325 5.010 ( -1.381 -0.963 1.120) 2.022 5.075 ( 0.741 0.019 -1.065) 1.297 5.445 ( -0.769 -0.581 -0.584) 1.127 5.552 ( 1.869 3.251 1.434) 4.015 5.890 ( -3.530 -1.517 0.024) 3.842 6.017 ( -2.780 3.866 -0.291) 4.770 6.084 ( 0.077 -0.145 -2.166) 2.172 6.174 ( -1.040 2.262 -0.007) 2.490 6.493 ( 1.981 -2.331 -0.211) 3.067 6.532 ( 1.436 -2.241 0.576) 2.724 6.731 ( 0.580 -2.541 -1.126) 2.839 6.778 ( 1.347 -2.532 -0.841) 2.989 6.856 ( 1.901 -1.489 1.767) 2.992 6.895 ( 2.113 -0.238 -0.704) 2.239 7.127 ( 0.534 -0.752 0.967) 1.336 7.192 ( 1.403 -0.890 2.646) 3.125 7.405 ( 0.171 -1.773 -0.258) 1.800 7.479 ( 0.482 0.612 0.193) 0.803 7.722 ( -1.537 -0.973 -0.347) 1.852 7.779 ( -0.463 0.480 -0.404) 0.780 7.980 ( 0.051 0.438 -1.800) 1.853 8.164 ( 2.660 -0.519 1.512) 3.104 8.289 ( 0.288 -0.321 0.143) 0.454 8.317 ( 0.310 -0.465 0.882) 1.044 9.625 ( -1.786 -0.026 -0.191) 1.797 9.666 ( -1.142 -0.868 -0.360) 1.479 11.307 ( -0.147 -0.290 0.387) 0.505 11.350 ( 0.339 -0.649 -0.664) 0.988 11.602 ( -0.603 -1.059 -1.590) 2.004 11.805 ( 0.894 -1.110 1.562) 2.114 12.197 ( -0.375 -1.175 0.865) 1.506 12.211 ( 0.852 -0.555 -0.835) 1.316 12.381 ( -0.433 0.116 -0.861) 0.970 12.457 ( 0.236 0.812 1.864) 2.047 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -0.332 -1.638 3.709) 4.068 0.527 ( 0.735 1.322 3.995) 4.272 0.545 ( -2.289 8.482 2.349) 9.094 0.636 ( -0.674 1.511 0.806) 1.840 0.691 ( -0.071 2.938 1.971) 3.539 0.761 ( -1.925 0.543 -0.533) 2.069 0.813 ( -1.555 0.885 0.122) 1.794 0.859 ( -3.577 0.569 0.030) 3.622 0.913 ( -3.216 1.715 0.618) 3.696 0.956 ( -1.344 0.655 1.167) 1.897 1.051 ( -1.454 2.590 3.829) 4.845 1.071 ( 2.448 5.942 1.661) 6.638 1.161 ( -3.515 1.837 10.133) 10.882 1.235 ( -1.700 -0.439 -1.753) 2.481 1.323 ( -3.491 2.870 1.490) 4.758 1.421 ( -1.228 3.951 1.350) 4.353 1.483 ( 2.164 0.574 -1.480) 2.684 1.537 ( 0.467 -0.092 -1.155) 1.249 1.667 ( -0.851 2.143 3.989) 4.608 1.778 ( -1.400 -1.935 1.093) 2.627 1.861 ( 1.563 -0.337 1.287) 2.053 1.977 ( 1.376 -2.209 2.068) 3.325 2.031 ( 2.508 0.095 -0.151) 2.514 2.102 ( 1.466 -0.191 3.917) 4.187 2.147 ( 1.718 -0.174 0.191) 1.737 2.254 ( -0.630 -0.947 3.205) 3.401 2.289 ( -1.708 2.686 0.189) 3.188 2.357 ( 0.541 -3.421 3.202) 4.717 2.432 ( 1.400 -0.245 -3.043) 3.359 2.535 ( -0.369 -0.962 -1.507) 1.825 2.564 ( -2.140 -0.973 0.235) 2.362 2.646 ( -0.615 0.070 -1.610) 1.725 2.659 ( -2.318 2.799 -1.764) 4.040 2.752 ( 0.208 0.647 -5.653) 5.694 2.867 ( 0.517 -0.684 0.246) 0.892 2.997 ( 2.300 3.508 -1.352) 4.407 3.100 ( 2.450 2.141 -0.431) 3.282 3.118 ( -0.933 -0.400 -1.844) 2.105 3.231 ( -2.169 -2.131 2.564) 3.978 3.279 ( 0.855 -1.523 -6.698) 6.922 3.388 ( -0.694 2.189 -6.403) 6.802 3.565 ( -3.159 0.339 -3.363) 4.627 3.798 ( 1.545 0.317 0.074) 1.579 3.920 ( 0.371 3.393 0.850) 3.518 3.949 ( 1.324 0.331 -1.104) 1.756 4.007 ( -0.831 0.641 0.069) 1.052 4.221 ( 0.082 -0.882 4.403) 4.491 4.279 ( 0.233 -0.238 2.163) 2.189 4.536 ( 0.605 0.393 0.150) 0.737 4.577 ( -1.551 1.171 1.168) 2.268 5.002 ( -1.091 -1.629 1.419) 2.421 5.068 ( 0.481 -0.196 -1.888) 1.958 5.446 ( 0.719 -1.850 1.518) 2.498 5.590 ( 0.473 2.765 -0.115) 2.808 5.853 ( 0.014 1.690 0.357) 1.727 5.975 ( -2.481 4.266 0.614) 4.973 6.059 ( -0.844 0.423 -1.104) 1.453 6.129 ( -1.800 2.740 -3.034) 4.466 6.531 ( 2.342 -2.332 -0.089) 3.306 6.566 ( 0.732 -3.020 0.923) 3.241 6.727 ( 0.689 -2.357 -1.027) 2.662 6.780 ( 0.025 -2.578 -1.126) 2.813 6.890 ( 1.431 -2.177 -0.546) 2.662 6.911 ( 0.173 -1.725 0.283) 1.757 7.158 ( 1.147 0.261 1.578) 1.968 7.233 ( 0.289 -1.387 0.890) 1.673 7.412 ( 0.644 -2.040 0.111) 2.142 7.467 ( -1.113 -0.302 -0.722) 1.360 7.715 ( 0.351 0.162 0.470) 0.609 7.772 ( -0.379 1.447 -0.306) 1.527 7.995 ( 2.564 0.102 1.776) 3.121 8.195 ( 0.220 -1.099 -0.902) 1.439 8.300 ( 0.412 -0.119 0.912) 1.008 8.337 ( 0.797 -0.599 0.698) 1.217 9.600 ( -0.938 0.073 0.057) 0.943 9.631 ( -1.941 -0.569 -0.686) 2.136 11.311 ( -0.078 -0.262 0.505) 0.575 11.342 ( 0.105 -0.285 -0.637) 0.706 11.622 ( 2.400 -1.230 2.199) 3.480 11.811 ( -1.019 -1.015 -0.549) 1.540 12.197 ( -0.151 -1.031 0.241) 1.069 12.219 ( 0.555 -1.447 -0.496) 1.628 12.374 ( 0.109 -0.062 0.088) 0.153 12.458 ( -1.337 0.459 -0.820) 1.634 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 4.297 -4.144 3.014) 6.687 0.428 ( -3.403 -4.558 -1.997) 6.029 0.678 ( -1.181 1.913 1.204) 2.550 0.686 ( -1.550 1.814 1.250) 2.694 0.763 ( 0.235 1.891 1.291) 2.302 0.799 ( 1.665 1.423 -0.924) 2.378 0.841 ( 2.716 2.098 1.480) 3.737 0.891 ( -1.658 2.910 -2.365) 4.100 0.947 ( 0.787 4.159 1.942) 4.657 0.975 ( -1.016 4.376 -0.264) 4.500 1.103 ( 0.522 0.985 1.679) 2.015 1.152 ( -0.761 -0.221 -3.195) 3.291 1.244 ( 0.197 1.579 5.379) 5.609 1.309 ( -0.848 3.011 -0.881) 3.250 1.396 ( 1.136 4.583 2.397) 5.296 1.436 ( -1.262 2.273 -1.033) 2.797 1.520 ( -1.587 1.581 -0.289) 2.259 1.533 ( 1.858 2.122 -0.983) 2.987 1.755 ( 0.441 2.674 1.984) 3.359 1.778 ( 0.372 2.942 0.135) 2.969 1.919 ( 1.133 -1.324 3.893) 4.265 1.963 ( -0.541 -0.390 -0.251) 0.713 2.055 ( 1.575 -1.851 3.750) 4.469 2.120 ( -0.517 -1.627 -2.206) 2.790 2.205 ( -1.786 -0.406 6.523) 6.775 2.264 ( -0.239 -0.542 0.896) 1.074 2.290 ( -0.631 -1.082 2.637) 2.919 2.330 ( 0.015 -2.116 -0.925) 2.309 2.411 ( -0.776 -0.601 1.294) 1.624 2.486 ( 1.719 -1.511 -0.156) 2.294 2.549 ( 1.509 1.159 1.008) 2.153 2.605 ( -1.596 0.480 -3.477) 3.856 2.669 ( -0.830 0.958 -3.155) 3.400 2.710 ( 0.879 1.516 -2.973) 3.451 2.862 ( -2.010 0.807 0.769) 2.298 2.948 ( -0.201 0.180 -8.234) 8.238 3.087 ( -0.806 -0.725 1.817) 2.116 3.131 ( 0.124 -0.837 -2.509) 2.648 3.239 ( 1.606 0.406 1.004) 1.937 3.276 ( 1.421 0.970 -2.088) 2.705 3.430 ( 1.222 3.021 1.448) 3.566 3.493 ( -1.408 1.140 -3.984) 4.377 3.839 ( 2.284 0.211 1.206) 2.592 3.869 ( -3.285 -0.355 -1.830) 3.777 4.017 ( 2.021 1.549 1.399) 2.905 4.039 ( -1.559 2.774 -0.842) 3.292 4.251 ( 0.261 -0.617 2.913) 2.989 4.276 ( -0.445 -0.912 0.238) 1.042 4.579 ( 0.908 1.379 0.681) 1.786 4.588 ( -0.879 1.713 -0.197) 1.935 4.984 ( -0.039 -1.177 2.505) 2.768 5.032 ( 0.079 -0.891 -2.400) 2.562 5.488 ( 3.058 -0.513 4.046) 5.097 5.561 ( -2.548 0.058 -3.486) 4.318 5.976 ( 2.266 3.150 2.279) 4.500 6.014 ( -1.698 3.718 -1.495) 4.352 6.087 ( -1.499 3.954 0.671) 4.281 6.128 ( 1.215 2.375 -3.491) 4.393 6.486 ( -1.230 -3.031 2.510) 4.123 6.536 ( 1.646 -2.644 -2.458) 3.967 6.680 ( -0.291 -2.510 1.251) 2.820 6.706 ( -0.516 -2.182 -1.170) 2.529 6.829 ( -0.415 -4.365 0.338) 4.398 6.838 ( 0.156 -4.014 -0.672) 4.073 7.199 ( -0.362 0.084 1.439) 1.486 7.212 ( -0.207 -0.474 0.257) 0.578 7.389 ( 0.389 -1.818 0.890) 2.061 7.413 ( -0.045 -1.341 -1.570) 2.065 7.761 ( -0.061 1.345 0.988) 1.670 7.781 ( 0.108 1.243 -1.010) 1.605 8.065 ( 2.497 -0.884 3.041) 4.033 8.121 ( -2.386 -1.362 -2.751) 3.888 8.316 ( 0.162 -0.196 1.056) 1.087 8.331 ( 0.019 -0.697 -0.328) 0.770 9.596 ( -0.066 -0.175 0.177) 0.258 9.600 ( 0.102 -0.179 -0.234) 0.312 11.307 ( -0.027 -0.521 0.627) 0.815 11.321 ( -0.086 -0.885 -0.818) 1.208 11.672 ( 2.824 -1.818 3.381) 4.766 11.732 ( -2.340 -1.601 -2.818) 3.997 12.162 ( -1.947 -1.290 2.034) 3.097 12.200 ( 1.802 -0.735 -1.997) 2.789 12.407 ( 0.184 1.401 1.602) 2.136 12.438 ( -0.584 0.905 -1.639) 1.961 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -3.286 -4.817 -1.994) 6.162 0.501 ( 4.305 -3.242 0.290) 5.397 0.669 ( -1.142 2.451 1.611) 3.148 0.699 ( -0.373 1.011 1.944) 2.223 0.779 ( 0.069 1.823 -0.938) 2.051 0.791 ( -0.402 2.298 -2.423) 3.364 0.827 ( 1.620 1.403 -1.275) 2.493 0.912 ( 0.881 2.112 -0.406) 2.324 0.962 ( 2.304 2.425 0.394) 3.368 1.001 ( 1.948 4.173 0.478) 4.630 1.110 ( -0.046 0.501 -1.599) 1.676 1.158 ( 1.969 1.018 2.275) 3.176 1.246 ( -2.478 5.579 -1.847) 6.378 1.298 ( -0.295 -0.268 2.024) 2.063 1.369 ( -1.620 -0.564 0.034) 1.716 1.463 ( 0.470 1.897 0.367) 1.989 1.498 ( 0.001 0.346 -1.013) 1.071 1.577 ( 2.743 4.483 0.168) 5.258 1.761 ( 0.551 1.180 -0.699) 1.478 1.787 ( -1.028 -0.049 -0.881) 1.354 1.916 ( -0.889 -0.256 -2.422) 2.593 1.959 ( -0.765 -0.703 0.992) 1.437 2.042 ( -1.593 0.386 -2.863) 3.299 2.099 ( -1.092 0.827 0.540) 1.472 2.242 ( -0.558 0.241 -1.107) 1.263 2.275 ( -0.127 -1.604 1.218) 2.018 2.305 ( 0.861 0.898 1.048) 1.627 2.347 ( 1.478 -2.731 0.947) 3.246 2.425 ( -0.150 0.322 -0.699) 0.785 2.476 ( 1.479 -2.377 -1.301) 3.087 2.550 ( 0.429 -0.228 -1.550) 1.624 2.613 ( 1.995 1.713 1.346) 2.954 2.680 ( 0.534 1.839 1.073) 2.195 2.692 ( 1.258 -0.139 0.333) 1.308 2.832 ( -3.397 1.127 4.713) 5.918 2.932 ( 1.846 -0.133 1.447) 2.349 3.085 ( -1.508 -0.541 0.805) 1.793 3.128 ( 0.572 -3.410 0.605) 3.510 3.190 ( -3.544 3.157 -2.196) 5.230 3.272 ( -0.671 0.134 -1.861) 1.983 3.430 ( -0.179 2.341 -3.058) 3.856 3.513 ( 3.539 0.770 3.125) 4.784 3.818 ( -0.235 1.105 -0.099) 1.134 3.918 ( 3.282 0.664 1.877) 3.839 3.981 ( -2.509 1.673 -1.085) 3.205 4.061 ( 1.070 2.501 0.258) 2.732 4.251 ( -0.973 -1.118 -0.770) 1.670 4.291 ( 0.854 -0.254 0.249) 0.925 4.561 ( -1.011 1.699 -0.314) 2.002 4.614 ( 1.664 1.494 0.173) 2.244 5.007 ( 0.439 -0.587 -0.428) 0.849 5.022 ( 0.934 -1.318 0.418) 1.669 5.476 ( -1.397 -0.201 -3.373) 3.656 5.590 ( 3.133 -0.154 2.157) 3.807 5.930 ( -3.555 3.659 -1.358) 5.279 6.036 ( 0.002 3.195 1.443) 3.505 6.091 ( 0.790 2.117 0.410) 2.297 6.142 ( 3.141 2.727 -0.343) 4.174 6.476 ( -2.615 -1.858 1.608) 3.588 6.520 ( -0.154 -3.339 -2.237) 4.022 6.671 ( -1.270 -2.143 0.524) 2.546 6.710 ( 0.412 -2.177 0.749) 2.338 6.815 ( -0.686 -3.747 0.493) 3.841 6.852 ( 0.912 -4.096 -0.002) 4.196 7.174 ( -2.526 -0.529 0.052) 2.581 7.222 ( -0.106 -0.183 0.464) 0.510 7.389 ( -0.001 -0.993 -0.725) 1.229 7.426 ( 1.674 -1.892 0.326) 2.547 7.739 ( -1.918 1.328 -0.011) 2.333 7.787 ( 0.246 0.446 -0.105) 0.520 8.038 ( -2.918 -0.221 -2.591) 3.909 8.132 ( 1.111 -1.388 2.449) 3.026 8.311 ( -0.980 -0.561 -0.475) 1.225 8.330 ( -0.016 -0.414 -0.000) 0.415 9.602 ( 0.922 -0.068 -0.015) 0.925 9.616 ( 1.530 -0.359 -0.029) 1.572 11.303 ( -0.549 -0.911 -0.056) 1.065 11.325 ( 0.617 -0.421 0.312) 0.810 11.646 ( -2.992 -1.376 -3.181) 4.579 11.749 ( 1.824 -2.169 2.285) 3.640 12.154 ( -1.649 -0.999 2.028) 2.798 12.209 ( 1.674 -0.785 -1.829) 2.601 12.394 ( -1.236 1.586 -0.078) 2.012 12.453 ( 1.619 0.504 0.719) 1.842 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 2.413 -2.798 0.454) 3.723 0.541 ( 2.640 -2.283 -1.936) 3.991 0.653 ( -2.459 4.134 -0.434) 4.830 0.688 ( -1.643 2.735 -0.107) 3.192 0.746 ( -0.630 1.617 0.003) 1.735 0.813 ( 2.311 -0.162 0.134) 2.321 0.865 ( 2.456 -0.045 -0.536) 2.515 0.918 ( 1.480 0.250 -0.475) 1.574 0.998 ( 1.506 0.871 -1.481) 2.285 1.038 ( 2.614 2.120 0.101) 3.367 1.093 ( 1.099 1.367 -2.849) 3.346 1.198 ( -0.914 2.557 2.424) 3.640 1.220 ( 1.475 2.685 -1.900) 3.605 1.279 ( -0.205 0.120 -2.602) 2.613 1.370 ( -0.177 -1.504 0.949) 1.787 1.450 ( -0.909 1.272 -1.182) 1.961 1.472 ( -2.464 2.130 -0.833) 3.361 1.595 ( -0.469 0.114 0.078) 0.489 1.725 ( -3.683 -2.627 0.874) 4.608 1.772 ( 1.596 -0.493 -1.841) 2.485 1.869 ( -1.476 -0.682 -3.709) 4.050 1.937 ( 0.439 0.648 -3.518) 3.604 2.041 ( 4.040 4.482 -0.857) 6.094 2.077 ( -0.886 1.555 -0.944) 2.023 2.184 ( -0.572 0.690 -4.294) 4.386 2.253 ( -1.681 1.077 -1.031) 2.247 2.327 ( 1.292 -1.252 -4.136) 4.511 2.371 ( 1.559 0.294 0.489) 1.660 2.427 ( 1.511 -0.539 -0.985) 1.882 2.478 ( 0.927 -3.239 -0.173) 3.374 2.575 ( 1.678 -2.060 -0.848) 2.788 2.623 ( -1.824 0.719 0.715) 2.087 2.712 ( 0.464 1.352 3.884) 4.139 2.749 ( 1.537 -0.212 3.325) 3.669 2.865 ( -0.951 2.840 3.885) 4.905 2.987 ( -1.471 0.491 2.972) 3.352 3.060 ( -2.577 0.582 3.727) 4.569 3.134 ( -0.960 1.184 2.373) 2.820 3.158 ( -0.824 -1.681 1.926) 2.686 3.232 ( 0.356 -2.836 -0.099) 2.860 3.426 ( 1.308 1.323 1.139) 2.181 3.598 ( 2.595 0.139 2.231) 3.425 3.844 ( 1.317 2.722 0.686) 3.101 3.919 ( -0.756 1.773 -0.765) 2.074 3.996 ( 1.452 1.695 1.272) 2.569 4.055 ( -0.783 3.524 -1.664) 3.975 4.217 ( -0.542 -1.314 -2.711) 3.061 4.289 ( -0.156 0.239 -1.632) 1.656 4.552 ( 0.183 1.956 0.319) 1.990 4.637 ( 1.246 1.785 -0.395) 2.212 5.014 ( 1.555 -0.722 -1.050) 2.010 5.045 ( 0.360 -0.938 1.056) 1.458 5.451 ( 1.967 0.085 -1.632) 2.558 5.622 ( 0.077 0.434 -1.229) 1.306 5.883 ( -1.037 1.928 0.316) 2.212 6.047 ( -0.989 2.314 2.534) 3.571 6.096 ( 0.374 0.949 -1.076) 1.483 6.204 ( 2.791 1.706 0.721) 3.349 6.445 ( -2.134 -1.061 0.711) 2.487 6.488 ( -1.354 -2.338 -0.769) 2.809 6.664 ( -0.701 -2.197 0.953) 2.495 6.716 ( -0.545 -2.128 0.491) 2.251 6.817 ( -0.117 -3.062 0.304) 3.079 6.861 ( -0.021 -2.903 0.020) 2.903 7.129 ( -2.235 -0.835 -0.524) 2.443 7.211 ( -0.944 -0.616 -0.973) 1.489 7.382 ( 0.304 -0.681 -0.752) 1.059 7.459 ( 1.009 -1.423 1.010) 2.016 7.714 ( -0.736 0.333 -0.082) 0.812 7.776 ( -1.175 -0.676 -0.211) 1.372 7.985 ( -0.985 0.966 -0.477) 1.460 8.153 ( -0.900 -1.093 0.738) 1.597 8.288 ( -0.859 -0.581 -0.571) 1.184 8.322 ( -0.430 -0.633 -0.714) 1.046 9.624 ( 1.653 0.034 -0.014) 1.654 9.644 ( 1.541 -0.629 0.148) 1.671 11.296 ( -0.298 -0.994 0.046) 1.038 11.338 ( 0.295 -0.137 0.147) 0.357 11.576 ( -1.497 -1.303 -1.331) 2.389 11.781 ( 0.024 -2.201 0.412) 2.239 12.154 ( -1.289 -0.891 2.145) 2.657 12.211 ( 1.040 -0.653 -1.792) 2.172 12.386 ( 0.059 1.306 0.379) 1.362 12.480 ( 0.765 0.301 0.120) 0.831 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 3.385 0.731 2.584) 4.321 0.562 ( 0.905 2.414 -1.347) 2.909 0.599 ( -1.528 1.667 -0.897) 2.433 0.670 ( -0.035 1.770 -0.138) 1.775 0.749 ( 0.037 1.060 1.348) 1.716 0.839 ( 0.251 -0.922 -0.448) 1.055 0.879 ( 1.993 -1.029 -2.283) 3.200 0.932 ( 0.547 0.455 -1.241) 1.431 1.015 ( 2.237 -1.032 -1.021) 2.667 1.058 ( 0.861 1.257 -3.453) 3.775 1.088 ( 2.290 -0.244 -0.956) 2.494 1.192 ( 0.078 2.185 -2.076) 3.015 1.242 ( 0.473 0.443 -0.216) 0.683 1.253 ( 0.508 -0.860 -0.491) 1.113 1.346 ( -2.811 0.424 0.118) 2.845 1.397 ( -1.284 2.635 -1.643) 3.360 1.437 ( -0.613 0.967 -1.051) 1.554 1.581 ( -3.404 -1.691 1.890) 4.245 1.698 ( -2.198 -2.349 1.919) 3.746 1.764 ( 0.844 -0.095 -1.957) 2.134 1.805 ( 1.445 -0.300 -5.750) 5.936 1.904 ( 0.232 -2.548 -3.522) 4.353 2.044 ( -0.674 1.163 -1.507) 2.019 2.084 ( 0.101 1.513 -2.387) 2.828 2.148 ( 2.238 2.647 -2.276) 4.146 2.257 ( 2.444 4.206 0.949) 4.957 2.297 ( 1.330 -0.515 -4.031) 4.276 2.391 ( 0.771 1.530 -1.808) 2.491 2.419 ( -1.670 -3.302 0.537) 3.739 2.471 ( -0.902 1.009 0.308) 1.389 2.572 ( -0.780 -2.431 -0.960) 2.727 2.641 ( 1.115 -0.838 1.060) 1.752 2.741 ( -1.075 1.628 1.517) 2.471 2.781 ( -0.759 -0.349 1.205) 1.466 2.870 ( -0.907 2.710 1.548) 3.250 2.940 ( -2.107 1.329 -0.824) 2.623 3.087 ( 0.783 -1.352 0.964) 1.836 3.124 ( -1.859 0.170 1.126) 2.180 3.222 ( 1.261 0.764 7.143) 7.294 3.331 ( 2.510 -2.792 9.591) 10.300 3.498 ( 2.715 -1.388 4.544) 5.472 3.644 ( -0.043 -0.195 1.783) 1.794 3.840 ( -0.803 2.033 -0.349) 2.213 3.941 ( 2.706 2.388 -1.604) 3.949 3.985 ( -1.857 6.389 -2.594) 7.141 4.024 ( -0.955 2.109 0.339) 2.340 4.177 ( 0.097 -1.208 -3.022) 3.256 4.253 ( -0.618 0.400 -3.128) 3.213 4.573 ( 0.912 1.960 1.291) 2.518 4.646 ( 0.556 1.779 -0.885) 2.063 5.028 ( 0.830 -0.507 -0.196) 0.992 5.054 ( 0.136 -0.555 -0.100) 0.580 5.491 ( 3.144 1.587 -0.056) 3.523 5.592 ( -0.836 1.671 -1.947) 2.699 5.895 ( 1.187 -1.667 1.315) 2.432 6.039 ( -2.655 -1.960 0.216) 3.307 6.103 ( 0.791 2.770 1.712) 3.351 6.233 ( 0.899 1.440 -1.393) 2.196 6.433 ( -0.863 -0.462 1.593) 1.870 6.465 ( -0.490 -1.679 -0.120) 1.753 6.665 ( -0.745 -2.211 1.247) 2.645 6.708 ( -0.348 -2.291 -0.273) 2.333 6.813 ( -0.028 -1.685 -0.366) 1.725 6.850 ( -1.168 -1.461 -0.212) 1.882 7.097 ( -0.812 -1.339 -0.228) 1.582 7.171 ( -1.222 -0.667 -2.389) 2.765 7.388 ( 0.859 -0.286 0.281) 0.948 7.469 ( -0.627 -0.559 -0.103) 0.846 7.717 ( 0.970 -1.218 0.335) 1.593 7.755 ( -1.223 -1.537 0.369) 1.999 7.987 ( 0.306 1.014 1.384) 1.743 8.124 ( -1.891 -0.412 -1.270) 2.315 8.274 ( -0.285 -0.717 -0.068) 0.775 8.304 ( -0.289 -0.815 -1.088) 1.390 9.652 ( 1.365 -0.013 0.125) 1.370 9.667 ( 0.784 -0.555 0.146) 0.972 11.294 ( -0.067 -1.004 0.228) 1.031 11.332 ( -0.449 -0.395 -0.778) 0.981 11.577 ( 1.021 -1.285 1.977) 2.570 11.762 ( -1.318 -2.109 -1.618) 2.967 12.158 ( -1.236 -0.965 2.245) 2.738 12.206 ( 0.939 -0.523 -1.761) 2.063 12.401 ( 0.559 1.263 0.980) 1.693 12.480 ( -0.071 0.478 -1.102) 1.203 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 2.148 2.914 4.503) 5.778 0.514 ( -4.076 4.461 0.227) 6.047 0.604 ( 2.003 2.308 -1.175) 3.274 0.645 ( -0.682 -0.496 -3.740) 3.834 0.789 ( 0.439 0.819 3.501) 3.622 0.827 ( 0.037 -0.055 -0.757) 0.760 0.879 ( 0.450 -1.235 -1.883) 2.296 0.902 ( -0.583 -0.471 -3.640) 3.716 1.028 ( -0.294 -1.112 -0.189) 1.166 1.045 ( 1.273 -0.739 -1.383) 2.020 1.118 ( 0.240 0.723 0.728) 1.054 1.149 ( -1.275 0.966 -2.555) 3.015 1.211 ( -2.178 0.514 1.042) 2.468 1.242 ( 0.633 0.462 -1.818) 1.979 1.368 ( 1.152 -1.638 0.501) 2.064 1.393 ( 0.438 2.290 -1.349) 2.693 1.435 ( 2.668 0.428 3.239) 4.218 1.502 ( -3.502 -0.122 -2.605) 4.367 1.695 ( -0.667 -1.453 2.097) 2.637 1.755 ( 0.818 -1.168 -3.588) 3.861 1.806 ( 2.158 -1.021 -0.108) 2.390 1.856 ( -0.290 -2.951 -4.198) 5.139 2.023 ( -0.858 0.497 0.107) 0.998 2.047 ( 0.134 0.827 -2.122) 2.281 2.173 ( -0.798 2.054 2.384) 3.246 2.228 ( -1.536 0.747 -3.506) 3.900 2.335 ( 0.772 0.352 1.331) 1.579 2.360 ( -0.308 -0.493 -1.108) 1.252 2.443 ( 2.574 2.762 1.085) 3.929 2.463 ( -0.874 2.442 -0.881) 2.739 2.557 ( 1.499 -0.671 0.921) 1.882 2.594 ( -3.325 0.363 -2.604) 4.239 2.758 ( -2.208 0.211 1.697) 2.792 2.778 ( 2.369 0.399 -0.336) 2.426 2.890 ( -0.786 1.046 2.303) 2.648 2.920 ( 0.916 0.752 -1.004) 1.553 3.093 ( -0.652 -1.586 1.236) 2.114 3.113 ( -0.096 -1.889 -0.849) 2.073 3.347 ( 2.623 1.331 7.436) 7.997 3.424 ( -0.900 0.568 0.833) 1.352 3.606 ( 2.528 -3.063 5.801) 7.030 3.653 ( -1.444 -3.087 2.364) 4.148 3.835 ( 0.508 4.235 -0.165) 4.269 3.879 ( -1.988 4.932 -4.366) 6.880 3.984 ( -0.635 2.595 0.570) 2.732 4.005 ( 0.721 3.264 -1.527) 3.675 4.165 ( 0.757 -0.237 -0.186) 0.815 4.202 ( -0.654 0.304 -3.493) 3.567 4.603 ( 0.183 1.874 1.779) 2.590 4.635 ( -0.174 1.573 -1.462) 2.155 5.033 ( -1.225 -0.474 0.994) 1.647 5.054 ( 1.185 -0.156 -1.225) 1.711 5.537 ( 1.413 2.506 0.343) 2.897 5.556 ( -0.723 2.497 -1.616) 3.061 5.939 ( -0.643 -3.066 2.817) 4.213 5.989 ( 0.324 -2.912 -2.132) 3.623 6.144 ( -0.217 1.873 3.374) 3.865 6.212 ( 0.670 1.920 -3.377) 3.942 6.440 ( -1.142 -0.839 1.957) 2.416 6.468 ( 1.244 -1.731 -0.791) 2.273 6.666 ( -1.286 -2.153 2.028) 3.226 6.701 ( 0.713 -2.571 -1.336) 2.984 6.814 ( -0.810 -0.385 0.521) 1.038 6.828 ( 0.622 -0.723 -0.860) 1.284 7.096 ( 0.208 -1.393 0.811) 1.625 7.126 ( -0.572 -0.699 -2.208) 2.386 7.417 ( 1.340 0.080 1.182) 1.789 7.442 ( -1.274 -0.194 -1.242) 1.790 7.740 ( -1.147 -2.131 0.448) 2.461 7.744 ( 1.408 -2.109 0.092) 2.537 8.023 ( 1.305 0.632 2.480) 2.873 8.071 ( -1.472 0.153 -2.429) 2.844 8.275 ( 0.101 -0.780 0.378) 0.873 8.289 ( 0.052 -0.734 -1.060) 1.290 9.669 ( 0.036 -0.198 0.256) 0.326 9.672 ( 0.015 -0.317 -0.102) 0.333 11.299 ( 0.082 -1.003 0.592) 1.168 11.314 ( -0.253 -0.673 -0.917) 1.166 11.641 ( 2.267 -1.434 3.434) 4.358 11.705 ( -1.923 -1.919 -3.196) 4.195 12.163 ( -1.275 -1.039 2.237) 2.776 12.204 ( 1.236 -0.514 -1.913) 2.335 12.424 ( 0.292 1.352 1.662) 2.162 12.457 ( -0.508 0.734 -1.737) 1.952 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -3.592 1.660 -1.654) 4.289 0.543 ( -0.570 3.732 1.761) 4.166 0.569 ( -1.610 -1.689 0.809) 2.469 0.654 ( 2.604 4.256 0.708) 5.039 0.777 ( -2.738 2.747 -1.284) 4.086 0.823 ( -0.770 -0.229 0.528) 0.962 0.847 ( -1.489 -0.749 -0.970) 1.929 0.889 ( 0.408 -0.375 1.725) 1.812 1.005 ( -2.348 -1.025 0.148) 2.566 1.030 ( -0.854 -0.023 -1.197) 1.471 1.089 ( -2.158 0.518 0.159) 2.225 1.160 ( -0.266 2.610 2.100) 3.360 1.186 ( -0.538 -0.222 1.160) 1.298 1.285 ( 3.188 1.286 0.693) 3.506 1.335 ( -2.399 1.547 -0.641) 2.925 1.398 ( 1.135 -0.657 -1.454) 1.958 1.437 ( 1.331 2.603 -0.816) 3.035 1.589 ( 6.349 -3.274 2.127) 7.453 1.711 ( -0.938 -0.804 0.338) 1.281 1.716 ( -0.371 -0.121 0.069) 0.396 1.795 ( 0.210 -1.423 -3.237) 3.542 1.857 ( 1.390 -2.891 0.830) 3.314 2.018 ( -0.131 0.732 1.336) 1.529 2.053 ( 1.247 0.569 0.486) 1.454 2.114 ( -6.373 5.125 1.528) 8.320 2.226 ( -0.138 -0.460 2.196) 2.248 2.299 ( -2.237 2.136 -2.047) 3.709 2.372 ( 0.038 -0.032 0.510) 0.512 2.424 ( 0.146 -0.605 -0.050) 0.624 2.500 ( 1.204 -0.183 -2.252) 2.560 2.553 ( 1.182 -2.450 0.851) 2.850 2.631 ( 2.151 1.990 1.971) 3.532 2.733 ( -0.692 1.700 1.385) 2.300 2.803 ( 0.597 -0.573 -1.098) 1.375 2.882 ( -0.282 1.428 0.427) 1.517 2.943 ( 1.815 1.329 -0.735) 2.367 3.081 ( -1.151 -2.050 0.702) 2.454 3.125 ( 1.056 -0.915 0.397) 1.453 3.343 ( -2.960 1.140 -4.908) 5.844 3.445 ( 0.918 0.584 0.307) 1.130 3.589 ( -3.042 -1.398 -3.866) 5.114 3.689 ( 0.490 -3.319 -0.851) 3.461 3.820 ( 0.117 2.628 1.369) 2.966 3.882 ( 0.472 3.913 2.373) 4.601 3.955 ( -1.044 4.940 0.594) 5.084 4.030 ( 1.760 1.091 -0.028) 2.071 4.150 ( -1.190 0.114 -0.902) 1.498 4.199 ( 1.204 0.212 1.678) 2.076 4.598 ( -1.372 1.702 -0.826) 2.337 4.626 ( -0.284 1.906 0.750) 2.067 5.014 ( -1.942 -0.495 0.829) 2.169 5.064 ( 1.027 -0.382 -0.704) 1.303 5.505 ( -2.256 1.933 -1.467) 3.313 5.565 ( 0.547 1.779 0.636) 1.967 5.910 ( -2.002 -1.329 0.075) 2.404 6.031 ( 3.053 -2.375 0.240) 3.875 6.138 ( -2.105 1.594 -0.337) 2.662 6.216 ( 1.974 2.558 -0.543) 3.277 6.437 ( -1.132 -1.209 1.150) 2.016 6.481 ( 1.695 -1.414 -1.459) 2.646 6.669 ( -0.639 -2.868 1.295) 3.211 6.707 ( 1.289 -2.642 -0.590) 2.998 6.802 ( -0.472 -0.770 0.579) 1.073 6.851 ( 1.622 -1.274 -0.128) 2.066 7.099 ( 0.146 -0.576 -0.382) 0.706 7.128 ( 1.202 -0.968 1.413) 2.092 7.403 ( -1.235 -0.363 -1.087) 1.684 7.458 ( 1.405 -0.120 0.933) 1.691 7.722 ( -1.022 -1.578 -0.085) 1.882 7.764 ( 1.160 -1.724 -0.457) 2.128 8.023 ( -0.851 0.491 -2.246) 2.451 8.087 ( 2.421 -0.034 2.485) 3.470 8.277 ( 0.026 -0.529 -0.171) 0.556 8.290 ( 0.596 -0.848 0.078) 1.040 9.654 ( -1.446 -0.181 -0.055) 1.459 9.669 ( -0.658 -0.455 -0.067) 0.803 11.298 ( -0.258 -0.609 -0.097) 0.668 11.319 ( 0.791 -1.079 0.445) 1.410 11.630 ( -1.904 -1.568 -3.439) 4.232 11.719 ( 2.310 -1.651 2.789) 3.981 12.167 ( -1.237 -1.099 2.176) 2.734 12.202 ( 1.348 -0.558 -2.159) 2.605 12.422 ( -1.123 1.052 -0.993) 1.831 12.453 ( 0.461 1.114 1.408) 1.854 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -2.744 -0.983 -4.461) 5.329 0.494 ( -3.650 -2.603 2.556) 5.161 0.612 ( 0.931 3.489 3.245) 4.854 0.696 ( 0.865 4.623 0.510) 4.730 0.748 ( 0.131 4.210 0.773) 4.282 0.805 ( -2.700 -0.522 0.223) 2.759 0.834 ( -0.735 -0.363 2.611) 2.736 0.905 ( -1.346 0.447 1.148) 1.824 0.962 ( -2.593 0.367 1.376) 2.958 1.010 ( -1.844 1.902 1.170) 2.896 1.063 ( -0.340 0.457 0.130) 0.584 1.177 ( -0.246 4.041 3.265) 5.201 1.205 ( -0.278 1.869 0.544) 1.966 1.268 ( -0.437 2.089 -2.107) 2.999 1.372 ( -0.094 1.013 1.936) 2.187 1.406 ( 1.539 0.186 1.779) 2.360 1.475 ( 3.113 0.766 -0.734) 3.289 1.605 ( -1.605 1.236 -0.818) 2.185 1.715 ( -1.467 0.425 2.080) 2.581 1.764 ( 2.081 -0.230 -1.391) 2.514 1.807 ( 4.726 -3.419 1.730) 6.084 1.879 ( -0.834 -0.264 1.956) 2.143 2.027 ( -4.458 3.695 1.051) 5.885 2.055 ( 1.878 0.744 1.749) 2.672 2.094 ( 0.689 0.703 3.238) 3.385 2.245 ( -1.347 -0.520 3.118) 3.436 2.260 ( 0.563 1.435 -0.578) 1.646 2.356 ( -1.636 1.013 0.093) 1.926 2.437 ( -0.374 -2.719 -0.240) 2.756 2.503 ( 1.098 -2.458 -1.366) 3.019 2.559 ( -1.843 -1.721 0.308) 2.540 2.629 ( -0.172 -1.071 -0.227) 1.109 2.775 ( 1.261 1.279 -1.281) 2.206 2.791 ( -0.018 0.018 -0.704) 0.704 2.892 ( 0.811 3.511 -0.552) 3.645 2.974 ( 2.081 0.775 1.300) 2.573 3.093 ( 1.775 -0.383 1.254) 2.207 3.145 ( 0.680 0.293 0.419) 0.851 3.243 ( -1.792 0.624 -4.726) 5.093 3.361 ( -2.140 -1.317 -9.998) 10.308 3.504 ( -0.925 0.633 -5.375) 5.490 3.642 ( -2.150 -0.687 -2.670) 3.496 3.854 ( -0.418 2.489 -0.332) 2.545 3.890 ( 0.427 0.233 2.761) 2.803 3.986 ( 0.208 4.496 2.664) 5.230 4.040 ( 0.363 1.193 -1.071) 1.644 4.153 ( -0.019 -0.906 3.261) 3.384 4.243 ( 0.694 0.425 2.679) 2.800 4.566 ( -0.816 1.776 -0.966) 2.181 4.624 ( -1.167 2.236 0.946) 2.694 4.990 ( -2.229 -0.976 1.128) 2.682 5.067 ( 0.436 -0.735 -0.948) 1.276 5.442 ( -2.911 0.125 -0.856) 3.037 5.592 ( 1.196 0.691 1.646) 2.149 5.894 ( 0.371 1.826 -0.694) 1.989 6.066 ( 0.282 -0.685 0.392) 0.838 6.101 ( -0.558 3.245 -1.214) 3.509 6.226 ( 0.001 2.216 -1.479) 2.664 6.438 ( -0.018 -2.211 1.145) 2.490 6.497 ( 2.246 -1.159 -1.280) 2.834 6.673 ( 0.077 -3.001 0.062) 3.003 6.722 ( 0.906 -2.757 -0.258) 2.914 6.812 ( 0.487 -2.547 0.693) 2.684 6.865 ( 0.267 -2.521 -0.279) 2.550 7.118 ( 1.889 -0.062 0.483) 1.950 7.173 ( 1.087 -0.888 2.510) 2.876 7.378 ( -0.570 -0.891 -0.345) 1.113 7.474 ( -0.264 -0.959 -0.332) 1.048 7.713 ( 0.289 0.111 -0.043) 0.312 7.777 ( 0.999 -0.592 -0.310) 1.202 7.992 ( -0.248 0.660 -1.164) 1.361 8.150 ( 2.063 -0.809 1.103) 2.475 8.281 ( 0.575 -0.391 0.062) 0.698 8.304 ( 0.507 -0.708 0.865) 1.227 9.625 ( -1.722 -0.022 -0.055) 1.723 9.648 ( -1.494 -0.789 -0.217) 1.703 11.297 ( 0.158 -0.629 -0.031) 0.650 11.335 ( 0.349 -0.730 0.336) 0.876 11.577 ( -0.522 -1.270 -1.420) 1.975 11.774 ( 1.231 -1.749 1.113) 2.411 12.171 ( -1.279 -1.229 2.043) 2.705 12.199 ( 1.258 -0.597 -2.134) 2.548 12.395 ( -0.797 1.027 -0.538) 1.407 12.474 ( 0.140 0.802 0.862) 1.186 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 1.153 -2.990 0.090) 3.206 0.486 ( -1.894 -3.159 1.725) 4.067 0.660 ( 0.426 1.966 2.490) 3.201 0.719 ( -0.855 4.466 1.603) 4.822 0.749 ( -0.642 1.891 -0.533) 2.067 0.775 ( -0.043 1.122 0.867) 1.418 0.820 ( -1.288 -0.138 -0.256) 1.321 0.894 ( -0.453 3.678 1.189) 3.892 0.964 ( -1.468 1.556 1.625) 2.687 0.988 ( -1.916 3.709 1.231) 4.353 1.078 ( 0.691 0.412 1.047) 1.320 1.188 ( -0.704 0.539 0.987) 1.327 1.224 ( -1.180 3.513 -1.674) 4.067 1.256 ( 1.826 5.433 4.525) 7.303 1.372 ( -0.638 1.965 0.892) 2.250 1.453 ( 0.177 -0.547 1.622) 1.721 1.505 ( 2.068 0.552 -1.436) 2.578 1.581 ( -2.325 4.671 -0.155) 5.220 1.717 ( -0.867 1.463 3.334) 3.743 1.774 ( -0.148 1.767 1.082) 2.077 1.863 ( 0.404 0.362 1.259) 1.371 1.925 ( 2.544 -0.978 3.552) 4.478 2.006 ( 0.699 -1.984 0.221) 2.115 2.102 ( 1.709 0.647 1.026) 2.095 2.153 ( 0.358 -0.851 4.877) 4.964 2.259 ( -0.835 0.949 2.941) 3.201 2.297 ( -0.377 -0.871 2.353) 2.537 2.328 ( -0.944 -0.371 -0.002) 1.014 2.409 ( -0.607 -1.935 0.015) 2.028 2.474 ( -0.709 -3.073 -2.234) 3.864 2.539 ( -1.230 -1.670 1.003) 2.304 2.651 ( 0.823 0.917 0.305) 1.269 2.729 ( -1.196 2.271 -4.079) 4.819 2.755 ( -0.758 -0.282 -4.920) 4.986 2.886 ( -0.348 2.088 -1.273) 2.470 3.028 ( 1.431 -0.507 0.232) 1.536 3.111 ( -1.868 -0.080 -5.312) 5.631 3.156 ( 2.391 2.899 0.260) 3.767 3.188 ( 0.007 -1.635 -2.437) 2.935 3.255 ( 2.457 -0.722 -3.177) 4.081 3.438 ( 0.251 2.768 -4.192) 5.030 3.568 ( -2.722 -0.101 -2.674) 3.817 3.824 ( -0.939 1.697 -0.547) 2.015 3.943 ( 0.239 -0.472 -0.047) 0.531 3.966 ( -0.863 0.756 0.054) 1.149 4.053 ( 0.055 3.558 1.085) 3.720 4.203 ( 0.509 -0.926 3.838) 3.981 4.274 ( -0.360 -0.092 1.862) 1.899 4.557 ( 0.541 1.657 0.017) 1.743 4.610 ( -1.469 2.130 0.526) 2.641 4.971 ( -1.621 -1.389 1.843) 2.820 5.056 ( 0.052 -0.894 -1.691) 1.913 5.420 ( -0.021 -0.799 2.180) 2.322 5.616 ( -0.257 0.098 -0.609) 0.668 5.911 ( 2.218 3.906 0.469) 4.516 6.050 ( -1.485 2.369 -0.198) 2.803 6.096 ( 0.387 3.281 -0.467) 3.336 6.181 ( -1.452 2.130 -3.541) 4.380 6.463 ( 0.472 -3.336 2.030) 3.933 6.523 ( 2.338 -1.707 -1.409) 3.220 6.674 ( 0.069 -2.691 0.016) 2.691 6.726 ( -0.045 -2.543 -0.701) 2.639 6.822 ( 0.339 -3.962 -0.081) 3.978 6.857 ( -0.617 -3.355 -0.462) 3.443 7.164 ( 2.150 0.243 0.970) 2.372 7.209 ( -0.060 -0.976 1.765) 2.018 7.375 ( 0.089 -1.483 0.460) 1.555 7.446 ( -1.359 -1.453 -1.407) 2.437 7.733 ( 1.517 1.335 0.517) 2.086 7.789 ( 0.415 0.328 -0.181) 0.559 8.000 ( 1.483 0.352 1.271) 1.985 8.168 ( -0.111 -1.496 -1.178) 1.908 8.297 ( 0.692 -0.187 0.745) 1.034 8.324 ( 0.484 -0.614 0.774) 1.100 9.601 ( -0.943 0.004 0.037) 0.944 9.619 ( -1.534 -0.637 -0.223) 1.676 11.300 ( 0.232 -0.665 0.074) 0.708 11.334 ( -0.328 -0.466 -0.407) 0.700 11.594 ( 1.967 -1.391 2.088) 3.188 11.781 ( -0.618 -1.724 -0.999) 2.086 12.170 ( -1.584 -1.332 1.922) 2.825 12.197 ( 1.338 -0.709 -1.987) 2.498 12.388 ( 0.095 1.120 0.474) 1.220 12.470 ( -0.787 0.672 -0.758) 1.283 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 4.016 -1.228 1.154) 4.356 0.345 ( -3.209 -3.105 -1.360) 4.668 0.703 ( -0.110 0.972 0.788) 1.257 0.709 ( -1.969 0.515 0.708) 2.155 0.774 ( -0.929 -0.525 2.270) 2.508 0.824 ( 1.978 0.878 -1.976) 2.930 0.868 ( 3.577 0.636 1.435) 3.906 0.917 ( -2.388 0.555 -2.998) 3.873 1.025 ( -0.376 3.387 2.483) 4.216 1.059 ( 0.603 2.131 -0.320) 2.237 1.101 ( -0.764 -0.468 1.871) 2.074 1.134 ( 0.472 -1.298 -1.761) 2.238 1.267 ( -1.455 0.715 3.502) 3.859 1.314 ( 0.300 -0.787 -1.095) 1.381 1.449 ( 0.479 0.622 1.323) 1.539 1.478 ( -0.264 0.675 -1.844) 1.981 1.599 ( 1.724 6.348 1.785) 6.816 1.626 ( -1.640 5.047 -1.049) 5.410 1.771 ( 1.773 -2.100 1.459) 3.112 1.792 ( -0.781 -2.867 -0.569) 3.026 1.923 ( 0.952 2.184 1.401) 2.764 1.946 ( -1.393 -0.595 -0.786) 1.707 2.060 ( 2.024 2.396 4.716) 5.664 2.099 ( -1.211 -0.312 -0.511) 1.351 2.170 ( -0.693 -2.004 4.214) 4.717 2.197 ( 0.830 -4.738 1.388) 5.006 2.274 ( -0.453 -0.042 3.159) 3.191 2.319 ( -1.580 -0.039 -2.444) 2.910 2.402 ( -0.938 -0.327 3.507) 3.645 2.458 ( 2.001 -0.960 2.188) 3.117 2.580 ( 2.829 1.292 1.712) 3.550 2.617 ( -3.561 0.400 -2.248) 4.231 2.677 ( 0.416 0.098 -4.473) 4.494 2.727 ( -0.487 0.287 -4.838) 4.870 2.886 ( -1.592 0.954 2.266) 2.929 2.984 ( 1.018 2.607 -8.437) 8.889 3.065 ( 0.508 -0.965 0.351) 1.145 3.093 ( -1.618 -2.257 -2.473) 3.718 3.250 ( 1.351 0.362 1.812) 2.288 3.292 ( 1.796 0.440 -1.983) 2.711 3.481 ( 0.285 1.846 -0.269) 1.887 3.504 ( -0.869 -0.176 -2.212) 2.383 3.844 ( 2.186 0.308 0.509) 2.266 3.859 ( -3.097 -0.528 -0.911) 3.271 4.040 ( 2.447 0.673 2.488) 3.554 4.085 ( -2.050 1.434 -1.982) 3.192 4.241 ( 1.309 -0.365 2.724) 3.044 4.262 ( -1.518 -0.357 0.289) 1.586 4.607 ( 1.290 1.035 0.695) 1.794 4.620 ( -1.370 1.123 -0.648) 1.886 4.966 ( -0.227 -0.489 2.981) 3.029 5.018 ( 0.189 -0.407 -2.287) 2.330 5.483 ( 3.305 -0.072 4.361) 5.472 5.560 ( -2.582 -0.104 -3.461) 4.320 6.034 ( 0.878 2.223 1.299) 2.721 6.060 ( -0.616 0.669 -1.303) 1.589 6.147 ( -1.590 1.646 0.694) 2.391 6.176 ( 1.545 1.879 -2.614) 3.570 6.439 ( -0.290 -1.286 2.274) 2.628 6.488 ( 0.930 -1.627 -2.712) 3.296 6.636 ( -0.934 -1.589 2.216) 2.882 6.673 ( 0.203 -0.973 -1.551) 1.842 6.761 ( -0.338 -1.747 0.071) 1.781 6.772 ( -0.006 -2.044 -1.003) 2.277 7.198 ( -1.770 -0.133 1.456) 2.296 7.206 ( 0.988 -0.148 0.641) 1.186 7.364 ( 0.383 -0.661 0.975) 1.239 7.392 ( 0.241 -0.587 -1.964) 2.064 7.780 ( -0.393 0.500 0.933) 1.129 7.797 ( 0.418 0.404 -0.774) 0.969 8.054 ( 1.929 -0.268 2.452) 3.131 8.101 ( -1.947 -0.587 -2.409) 3.153 8.314 ( 0.396 0.006 0.642) 0.754 8.320 ( -0.331 -0.349 0.100) 0.491 9.593 ( -0.240 -0.106 0.212) 0.337 9.597 ( 0.313 -0.112 -0.195) 0.385 11.299 ( 0.511 -0.204 0.303) 0.628 11.307 ( -0.751 -0.457 -0.500) 1.011 11.645 ( 2.457 -0.754 3.394) 4.257 11.706 ( -2.138 -0.748 -2.906) 3.684 12.145 ( -1.890 -0.411 2.224) 2.948 12.190 ( 2.020 -0.259 -2.453) 3.188 12.428 ( 0.949 0.608 1.250) 1.683 12.452 ( -1.220 0.413 -1.195) 1.757 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( -2.498 -1.880 -1.082) 3.308 0.443 ( 5.863 -1.931 -0.434) 6.188 0.697 ( -0.934 0.531 1.732) 2.038 0.723 ( 0.620 1.468 1.360) 2.095 0.783 ( -0.532 -0.927 1.061) 1.506 0.819 ( -1.447 0.025 -1.599) 2.156 0.843 ( 1.323 0.912 -3.901) 4.219 0.941 ( 1.459 0.623 0.794) 1.774 1.027 ( -0.069 3.570 0.777) 3.654 1.069 ( 0.941 1.576 -1.152) 2.168 1.108 ( -0.238 -1.245 0.564) 1.387 1.156 ( 3.251 -0.129 -0.292) 3.267 1.281 ( -1.461 -0.107 2.521) 2.916 1.302 ( -0.093 -0.583 -0.986) 1.149 1.438 ( -2.816 5.227 0.259) 5.943 1.482 ( -0.878 0.376 -1.075) 1.438 1.512 ( -1.897 2.480 0.324) 3.139 1.620 ( -5.680 -3.916 -0.778) 6.942 1.753 ( -1.139 1.152 0.350) 1.657 1.788 ( -0.130 0.419 -0.494) 0.661 1.916 ( 0.406 -0.381 -1.226) 1.347 1.978 ( 0.398 1.176 -0.537) 1.353 2.078 ( 1.305 3.392 -1.405) 3.896 2.127 ( 2.396 1.562 0.146) 2.864 2.176 ( -0.717 -4.534 -1.058) 4.711 2.238 ( 2.896 -1.802 -0.347) 3.428 2.302 ( 1.689 -1.321 2.242) 3.103 2.328 ( 0.864 -0.078 1.066) 1.374 2.426 ( -0.683 -0.013 1.827) 1.950 2.452 ( 0.414 -0.043 -6.227) 6.241 2.551 ( -1.406 0.210 -0.755) 1.609 2.646 ( 1.104 1.457 0.739) 1.972 2.671 ( 1.280 -1.057 0.459) 1.723 2.708 ( 1.521 0.282 4.435) 4.697 2.880 ( -2.809 3.031 4.208) 5.898 2.947 ( 1.354 0.935 -1.443) 2.188 3.037 ( -2.568 -3.524 -1.062) 4.488 3.081 ( -0.731 -0.787 3.059) 3.242 3.242 ( -1.957 1.827 -2.153) 3.436 3.266 ( -1.289 -0.664 -2.465) 2.860 3.471 ( -0.901 1.277 -0.879) 1.793 3.522 ( 2.757 0.163 1.944) 3.378 3.833 ( 1.309 0.369 0.666) 1.515 3.925 ( 4.689 -0.027 0.826) 4.762 4.013 ( -2.645 1.186 -2.426) 3.780 4.098 ( 1.086 1.013 1.762) 2.304 4.233 ( -1.096 -0.517 -1.146) 1.668 4.287 ( 1.325 -0.083 0.662) 1.484 4.595 ( -0.588 1.160 -0.521) 1.401 4.644 ( 1.820 1.174 0.630) 2.255 4.996 ( 0.088 -0.364 1.171) 1.230 5.002 ( 1.087 -0.581 -1.156) 1.689 5.474 ( -1.266 -0.028 -3.911) 4.111 5.585 ( 2.912 -0.202 2.341) 3.742 6.002 ( -3.130 3.206 -0.659) 4.529 6.061 ( -0.437 -0.939 0.219) 1.059 6.132 ( -1.467 1.991 1.985) 3.171 6.189 ( 2.274 1.151 -1.418) 2.917 6.451 ( -0.799 -0.244 1.101) 1.382 6.470 ( 0.457 -1.658 -1.998) 2.636 6.639 ( -1.329 -0.729 1.545) 2.165 6.666 ( 0.337 -2.010 -0.334) 2.065 6.760 ( 0.175 -0.946 0.425) 1.051 6.781 ( 1.095 -2.616 0.218) 2.844 7.167 ( -2.997 -0.197 0.597) 3.062 7.218 ( -0.218 -0.128 0.186) 0.314 7.378 ( 0.723 -0.101 -1.289) 1.481 7.393 ( 1.481 -1.108 0.518) 1.921 7.764 ( -2.044 1.103 0.338) 2.347 7.786 ( -1.048 -0.521 -0.428) 1.246 8.037 ( -1.903 0.046 -2.048) 2.796 8.111 ( 1.174 -0.636 2.139) 2.521 8.303 ( -1.125 -0.219 -0.313) 1.188 8.324 ( -0.106 -0.182 -0.008) 0.210 9.601 ( 1.000 -0.002 0.146) 1.010 9.610 ( 1.375 -0.223 -0.263) 1.418 11.289 ( -0.711 -0.422 -0.090) 0.832 11.318 ( 0.857 -0.214 0.538) 1.034 11.624 ( -2.787 -0.613 -3.262) 4.334 11.716 ( 1.423 -0.942 2.625) 3.131 12.141 ( -1.636 -0.338 2.235) 2.791 12.197 ( 2.042 -0.321 -2.430) 3.190 12.418 ( -0.991 0.655 -0.725) 1.392 12.463 ( 1.097 0.323 1.192) 1.651 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 4.047 -0.649 1.892) 4.515 0.495 ( 3.337 -1.596 -3.034) 4.784 0.703 ( -1.346 1.463 1.537) 2.513 0.738 ( -0.519 1.027 0.010) 1.151 0.764 ( -1.366 1.092 1.141) 2.088 0.811 ( 0.908 -0.698 0.193) 1.161 0.850 ( 2.751 -0.707 -1.990) 3.468 0.934 ( -1.022 0.786 -0.601) 1.423 1.034 ( -0.000 1.991 -2.986) 3.589 1.069 ( 1.038 1.264 0.590) 1.739 1.125 ( 1.287 0.826 0.046) 1.530 1.173 ( 0.534 -1.782 -2.905) 3.449 1.271 ( -1.049 0.235 -0.606) 1.234 1.298 ( -1.310 -0.356 0.817) 1.585 1.373 ( -3.137 4.221 1.901) 5.592 1.460 ( -2.700 -1.714 -1.292) 3.449 1.487 ( -1.946 -0.602 -0.590) 2.121 1.546 ( 0.189 -2.327 0.772) 2.459 1.719 ( -2.837 0.997 0.790) 3.109 1.789 ( 1.066 1.358 -2.481) 3.022 1.876 ( -0.927 1.270 -4.290) 4.569 1.928 ( -1.530 -1.308 -4.016) 4.492 2.085 ( 0.033 1.284 -1.310) 1.835 2.129 ( -0.447 -2.034 -3.107) 3.740 2.190 ( 3.709 5.096 -0.601) 6.331 2.287 ( 1.631 -2.013 -0.548) 2.648 2.313 ( -0.444 1.435 -1.319) 1.999 2.366 ( 3.876 -1.677 -1.093) 4.362 2.388 ( -0.008 -1.008 -2.830) 3.004 2.443 ( 1.988 -0.512 0.129) 2.057 2.553 ( 1.833 0.034 0.128) 1.837 2.643 ( -2.756 0.877 -2.419) 3.770 2.701 ( -0.132 -1.303 4.088) 4.293 2.768 ( 1.006 1.075 2.761) 3.129 2.922 ( 0.430 2.486 1.948) 3.187 2.980 ( -1.413 -1.228 1.638) 2.487 3.042 ( 1.443 -1.195 11.128) 11.285 3.097 ( -3.097 -2.003 2.376) 4.388 3.185 ( -1.784 1.889 -0.518) 2.649 3.206 ( -1.569 -0.462 0.194) 1.647 3.447 ( -1.616 0.480 1.231) 2.087 3.601 ( 3.216 0.050 1.780) 3.676 3.890 ( 2.068 2.099 0.601) 3.007 3.934 ( -0.192 -0.843 -1.768) 1.968 4.023 ( 3.510 1.162 0.380) 3.717 4.112 ( -0.487 1.571 -0.423) 1.698 4.197 ( -0.499 -0.630 -2.815) 2.927 4.294 ( -0.020 0.200 -1.433) 1.447 4.592 ( 0.509 1.348 0.146) 1.448 4.675 ( 1.184 1.474 0.035) 1.891 5.006 ( 1.961 0.033 -1.223) 2.311 5.022 ( 0.301 -1.079 1.268) 1.692 5.454 ( 2.921 0.087 -1.660) 3.361 5.617 ( 0.242 -0.441 -1.036) 1.151 5.943 ( -3.402 3.393 0.142) 4.807 6.033 ( -2.344 -2.554 -0.402) 3.490 6.145 ( -0.787 2.761 2.958) 4.123 6.213 ( 1.948 -0.914 -0.920) 2.340 6.445 ( 0.421 0.724 -0.976) 1.286 6.462 ( -0.811 -0.475 0.685) 1.163 6.636 ( -0.773 -0.183 1.015) 1.289 6.665 ( -0.380 -2.668 0.091) 2.697 6.775 ( 0.771 -0.377 0.366) 0.933 6.802 ( 0.773 -2.565 0.384) 2.707 7.119 ( -2.952 -0.204 0.231) 2.968 7.202 ( -0.930 -0.251 -1.329) 1.642 7.376 ( 0.849 -0.032 -1.055) 1.355 7.431 ( 1.377 -0.989 1.218) 2.088 7.730 ( -1.876 1.112 -0.193) 2.189 7.755 ( -1.992 -1.236 0.027) 2.344 8.001 ( -0.564 0.493 -0.503) 0.902 8.135 ( -0.423 -0.572 0.792) 1.065 8.279 ( -1.086 -0.228 -0.354) 1.165 8.312 ( -0.647 -0.302 -0.815) 1.084 9.626 ( 1.659 0.180 0.079) 1.670 9.633 ( 1.590 -0.438 -0.087) 1.651 11.280 ( -0.448 -0.469 0.217) 0.684 11.335 ( 0.422 -0.101 -0.005) 0.434 11.556 ( -1.479 -0.565 -1.305) 2.052 11.747 ( -0.200 -0.986 0.783) 1.275 12.141 ( -1.472 -0.337 2.331) 2.777 12.200 ( 1.584 -0.331 -2.435) 2.923 12.407 ( 0.105 0.590 0.103) 0.608 12.487 ( 0.495 0.247 0.461) 0.720 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 4.369 0.189 3.914) 5.869 0.529 ( 5.055 -1.886 -2.440) 5.921 0.672 ( -4.080 2.834 1.186) 5.108 0.707 ( -1.597 0.721 -1.178) 2.111 0.778 ( 0.685 1.621 1.580) 2.365 0.825 ( 0.383 -0.504 0.083) 0.638 0.866 ( 0.893 0.089 -1.668) 1.894 0.914 ( -0.350 -2.094 -1.118) 2.400 0.999 ( 0.874 -0.029 -2.483) 2.633 1.088 ( -0.458 0.950 -4.550) 4.670 1.097 ( 1.101 1.182 0.540) 1.703 1.171 ( -0.048 -1.778 -0.706) 1.913 1.244 ( -0.664 0.543 -1.997) 2.174 1.266 ( -1.557 -0.956 -0.103) 1.830 1.345 ( -3.013 0.440 2.086) 3.691 1.417 ( -0.953 -0.027 1.698) 1.948 1.488 ( 0.564 2.603 -0.558) 2.721 1.550 ( -0.771 -1.231 0.016) 1.452 1.689 ( -1.757 0.583 0.862) 2.042 1.763 ( 0.108 -0.530 -3.665) 3.705 1.813 ( 0.499 1.727 -4.889) 5.209 1.857 ( -0.239 -2.154 -5.264) 5.693 2.055 ( -0.668 0.129 -2.100) 2.208 2.087 ( -0.781 -0.689 -2.119) 2.361 2.199 ( -1.010 2.619 -0.576) 2.865 2.271 ( -0.174 -1.913 -3.885) 4.334 2.323 ( 1.661 1.727 -0.010) 2.396 2.362 ( 0.474 -1.892 -1.763) 2.629 2.426 ( 2.241 1.344 1.293) 2.915 2.488 ( 1.678 -0.082 -0.432) 1.735 2.551 ( -0.312 1.173 -1.733) 2.116 2.623 ( 2.652 -1.137 1.478) 3.242 2.740 ( -0.955 -0.530 3.258) 3.436 2.798 ( -0.438 0.947 1.354) 1.710 2.924 ( -1.645 2.273 0.031) 2.806 2.959 ( -2.421 0.244 0.333) 2.455 3.038 ( 0.298 -2.376 -0.587) 2.465 3.122 ( -2.682 -0.267 -1.209) 2.953 3.252 ( 1.763 1.851 9.306) 9.650 3.287 ( 2.342 -1.654 12.018) 12.356 3.471 ( 0.455 -1.062 5.218) 5.345 3.639 ( -0.288 -0.206 -0.610) 0.705 3.885 ( 0.793 1.881 -0.831) 2.204 3.962 ( 1.539 -0.045 -0.516) 1.623 4.062 ( 1.338 1.298 -1.246) 2.242 4.075 ( -1.455 2.176 -2.377) 3.536 4.161 ( 0.386 -0.334 -2.441) 2.494 4.260 ( -0.691 0.231 -2.976) 3.064 4.613 ( 1.011 1.401 0.990) 1.992 4.684 ( 0.264 1.462 -0.706) 1.645 5.024 ( 0.195 0.163 0.696) 0.741 5.039 ( 1.249 -0.862 -0.688) 1.666 5.520 ( 4.575 1.053 0.397) 4.711 5.600 ( 0.401 -0.402 -1.573) 1.673 5.894 ( -2.810 1.260 1.089) 3.267 5.981 ( -2.655 -2.828 -0.967) 3.998 6.165 ( -0.721 2.797 2.527) 3.838 6.227 ( 1.068 -1.844 -1.301) 2.496 6.446 ( 0.696 1.227 -0.566) 1.520 6.454 ( -0.803 0.210 0.494) 0.966 6.636 ( -0.639 -0.391 1.133) 1.358 6.658 ( -0.391 -2.308 -0.107) 2.343 6.790 ( 0.867 -0.147 -0.024) 0.880 6.812 ( -0.007 -1.911 0.127) 1.915 7.082 ( -1.680 -0.246 0.586) 1.796 7.161 ( -1.080 -0.275 -2.479) 2.719 7.388 ( 1.248 0.103 0.090) 1.256 7.454 ( -0.038 -0.649 0.327) 0.728 7.706 ( -0.492 0.100 -0.073) 0.507 7.726 ( -1.653 -1.203 0.312) 2.068 8.003 ( 0.344 0.457 0.958) 1.116 8.116 ( -1.465 -0.250 -0.949) 1.763 8.263 ( -0.504 -0.282 0.078) 0.583 8.291 ( -0.340 -0.419 -1.093) 1.219 9.652 ( 1.286 0.048 -0.037) 1.288 9.658 ( 1.000 -0.284 0.220) 1.063 11.278 ( -0.229 -0.477 0.454) 0.698 11.326 ( -0.434 -0.192 -1.266) 1.352 11.557 ( 0.994 -0.557 1.947) 2.256 11.729 ( -1.437 -0.941 -1.231) 2.113 12.144 ( -1.465 -0.399 2.411) 2.849 12.197 ( 1.400 -0.305 -2.361) 2.762 12.420 ( 0.671 0.562 0.853) 1.222 12.489 ( -0.215 0.285 -0.569) 0.672 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.916 -0.517 4.132) 4.264 0.559 ( -0.185 0.030 -3.232) 3.238 0.621 ( -4.360 0.523 2.663) 5.136 0.686 ( 3.768 2.972 -2.582) 5.449 0.814 ( -0.780 0.856 2.060) 2.364 0.825 ( 0.782 -0.084 0.748) 1.086 0.856 ( 0.408 -0.227 -1.646) 1.711 0.882 ( -0.501 -1.795 -2.508) 3.125 1.005 ( 1.371 -0.807 -1.104) 1.936 1.031 ( -0.253 -0.336 -3.985) 4.007 1.131 ( 0.617 0.677 1.113) 1.441 1.146 ( -0.438 -0.562 -1.037) 1.258 1.217 ( -1.137 -0.184 -0.120) 1.158 1.223 ( -0.528 -1.124 -0.736) 1.443 1.377 ( 1.094 1.892 3.204) 3.878 1.416 ( -0.892 -0.133 0.146) 0.914 1.487 ( -0.535 2.737 1.338) 3.093 1.524 ( -0.695 0.857 -1.674) 2.005 1.679 ( -0.907 0.342 1.620) 1.888 1.723 ( -0.286 -1.870 -2.021) 2.769 1.791 ( 2.694 -0.333 -4.114) 4.929 1.805 ( 1.040 -1.788 -4.877) 5.298 2.034 ( -0.429 0.489 0.280) 0.708 2.053 ( -0.599 -0.001 -1.437) 1.557 2.183 ( -0.640 -0.414 0.770) 1.083 2.212 ( -1.243 -1.068 -2.461) 2.957 2.339 ( 0.118 0.366 0.254) 0.461 2.355 ( 0.694 -0.253 -1.303) 1.498 2.460 ( 0.040 0.194 1.453) 1.467 2.485 ( -0.071 -0.173 -1.170) 1.185 2.593 ( 3.542 2.325 1.500) 4.495 2.622 ( -3.898 0.986 -1.146) 4.181 2.766 ( 0.497 0.705 2.258) 2.417 2.792 ( 0.082 0.560 -0.526) 0.773 2.915 ( -2.187 1.240 1.454) 2.904 2.932 ( 1.438 0.267 -0.500) 1.546 3.056 ( 1.016 -1.515 0.321) 1.852 3.067 ( -1.755 -1.965 -0.709) 2.729 3.377 ( 2.339 1.257 7.153) 7.630 3.435 ( 0.399 0.249 3.901) 3.929 3.559 ( 1.727 -1.265 4.925) 5.371 3.597 ( -2.079 -1.954 0.028) 2.853 3.907 ( 1.437 2.415 -0.169) 2.815 3.935 ( -1.722 0.774 -2.879) 3.442 4.034 ( -0.620 1.868 -0.769) 2.113 4.048 ( 0.082 0.850 -2.081) 2.249 4.165 ( 1.067 0.085 0.711) 1.285 4.208 ( -0.982 0.243 -3.403) 3.550 4.641 ( 0.499 1.391 1.503) 2.108 4.669 ( -0.543 1.345 -1.299) 1.947 5.024 ( -1.556 -0.275 1.383) 2.100 5.050 ( 1.479 -0.161 -1.362) 2.018 5.577 ( 0.816 1.308 0.410) 1.595 5.592 ( 0.042 0.917 -1.247) 1.549 5.891 ( -0.049 -1.252 2.371) 2.681 5.934 ( 0.079 -1.998 -2.040) 2.856 6.174 ( -2.281 0.768 2.980) 3.830 6.227 ( 2.284 -0.177 -2.666) 3.516 6.444 ( -0.775 0.367 0.381) 0.938 6.457 ( 1.339 0.630 -0.932) 1.749 6.635 ( -1.784 -0.852 1.867) 2.719 6.655 ( 0.581 -1.555 -0.416) 1.711 6.800 ( -0.633 -0.561 0.413) 0.941 6.810 ( 0.793 -0.785 -0.562) 1.250 7.080 ( -0.040 -0.316 1.504) 1.538 7.117 ( -0.444 -0.183 -2.355) 2.404 7.419 ( 1.566 0.064 0.885) 1.800 7.437 ( -1.319 -0.198 -0.887) 1.602 7.707 ( -0.762 -0.959 0.341) 1.272 7.712 ( 0.830 -0.935 -0.121) 1.256 8.033 ( 1.160 0.280 2.027) 2.353 8.073 ( -1.341 0.022 -2.026) 2.430 8.263 ( 0.051 -0.340 0.428) 0.549 8.277 ( 0.121 -0.375 -0.992) 1.067 9.666 ( -0.250 -0.081 0.140) 0.298 9.667 ( 0.311 -0.137 -0.028) 0.341 11.284 ( 0.081 -0.461 0.805) 0.932 11.303 ( -0.308 -0.318 -1.239) 1.316 11.619 ( 2.264 -0.632 3.156) 3.935 11.676 ( -1.986 -0.833 -2.746) 3.490 12.147 ( -1.461 -0.453 2.420) 2.863 12.195 ( 1.582 -0.295 -2.436) 2.919 12.444 ( 0.553 0.571 1.403) 1.612 12.469 ( -0.764 0.378 -1.184) 1.459 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -4.843 0.983 -0.413) 4.959 0.503 ( -3.138 -2.910 -2.599) 5.007 0.606 ( -1.068 1.950 5.868) 6.275 0.740 ( 4.444 2.753 -3.223) 6.141 0.795 ( -1.626 -0.404 0.304) 1.702 0.830 ( -1.933 0.307 0.490) 2.018 0.852 ( 0.841 1.233 -1.865) 2.388 0.883 ( 1.761 -0.609 1.714) 2.532 0.981 ( -1.342 -0.546 -1.023) 1.773 1.020 ( 0.228 -0.850 0.668) 1.104 1.111 ( -1.633 1.577 -0.027) 2.270 1.157 ( 0.588 -1.680 0.255) 1.798 1.205 ( 0.401 1.654 1.516) 2.279 1.275 ( 4.096 -2.071 -0.071) 4.591 1.381 ( -0.538 0.959 -1.276) 1.685 1.415 ( -0.742 3.352 1.992) 3.969 1.490 ( -0.165 1.673 -1.050) 1.982 1.535 ( 1.821 -2.515 1.825) 3.601 1.697 ( -0.324 0.225 3.142) 3.166 1.719 ( 1.646 -0.046 -0.604) 1.754 1.779 ( 2.089 -0.876 -3.992) 4.590 1.803 ( 2.067 -1.432 -0.500) 2.564 2.029 ( -0.602 0.405 0.909) 1.163 2.058 ( 0.945 -0.194 1.154) 1.504 2.176 ( -1.177 1.711 1.547) 2.589 2.211 ( 0.388 -0.995 1.754) 2.054 2.340 ( -0.354 -0.893 0.248) 0.992 2.344 ( -0.381 0.693 -1.119) 1.370 2.450 ( -2.837 2.144 -0.360) 3.574 2.484 ( -0.051 -1.341 -0.702) 1.515 2.531 ( -1.999 0.158 0.620) 2.099 2.636 ( -1.836 -0.729 0.045) 1.976 2.779 ( 1.073 1.128 -0.829) 1.763 2.808 ( 0.789 1.230 0.033) 1.462 2.901 ( 0.645 0.435 1.839) 1.997 2.971 ( 2.021 1.170 -0.300) 2.354 3.032 ( -1.334 -2.080 0.112) 2.473 3.102 ( 2.761 -1.022 0.868) 3.069 3.378 ( -2.610 1.710 -5.056) 5.941 3.452 ( -0.073 -0.048 -1.371) 1.373 3.566 ( -0.784 -0.578 -2.789) 2.954 3.625 ( 1.284 -2.306 1.031) 2.834 3.866 ( -2.378 1.495 0.425) 2.841 3.936 ( -0.294 1.254 1.234) 1.783 4.028 ( -0.361 1.706 1.147) 2.087 4.047 ( 1.165 0.853 0.467) 1.518 4.154 ( -1.440 0.196 -1.957) 2.438 4.203 ( 1.022 0.056 2.520) 2.720 4.636 ( -1.228 1.483 -1.307) 2.327 4.663 ( -0.150 1.304 1.345) 1.880 5.005 ( -2.359 -0.261 1.203) 2.661 5.055 ( 0.744 -0.349 -1.051) 1.334 5.541 ( -3.509 1.465 -1.736) 4.180 5.579 ( -0.943 -0.297 0.538) 1.125 5.911 ( 1.785 1.610 -0.237) 2.416 5.970 ( 3.870 -3.439 0.028) 5.177 6.161 ( -2.076 0.645 1.956) 2.925 6.245 ( 2.531 0.316 -2.132) 3.325 6.435 ( -0.689 0.327 0.119) 0.772 6.473 ( 1.777 0.553 -0.991) 2.108 6.623 ( -1.900 -1.472 1.844) 3.029 6.664 ( 0.768 -1.289 -0.110) 1.505 6.787 ( -0.794 -0.335 0.192) 0.883 6.818 ( 0.392 -1.427 -0.407) 1.534 7.098 ( 0.833 0.205 -0.864) 1.218 7.113 ( 1.029 -0.493 1.990) 2.294 7.399 ( -1.478 -0.020 -1.061) 1.819 7.451 ( 0.897 -0.346 0.568) 1.117 7.704 ( 0.272 -0.263 0.178) 0.419 7.732 ( 1.738 -1.140 -0.332) 2.105 8.030 ( -0.891 0.217 -1.867) 2.080 8.086 ( 1.969 -0.037 2.158) 2.922 8.270 ( 0.318 -0.100 -0.286) 0.440 8.275 ( 0.500 -0.550 0.154) 0.759 9.651 ( -1.386 -0.066 0.050) 1.389 9.662 ( -0.869 -0.191 -0.180) 0.908 11.289 ( 0.031 -0.250 -0.625) 0.673 11.301 ( 0.538 -0.531 1.107) 1.341 11.607 ( -1.816 -0.657 -3.078) 3.633 11.693 ( 2.328 -0.761 2.516) 3.511 12.151 ( -1.436 -0.470 2.405) 2.840 12.193 ( 1.662 -0.288 -2.613) 3.110 12.439 ( -1.084 0.513 -1.090) 1.621 12.470 ( 0.372 0.456 1.412) 1.530 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -4.013 0.641 -5.659) 6.967 0.437 ( -3.268 -2.359 2.583) 4.787 0.671 ( 0.196 2.299 4.630) 5.173 0.746 ( -0.292 -0.370 -0.271) 0.544 0.794 ( 1.037 0.749 -1.087) 1.679 0.802 ( -1.428 0.164 0.599) 1.557 0.841 ( -0.945 1.241 -1.069) 1.891 0.921 ( 1.084 0.819 0.819) 1.586 0.972 ( -0.255 0.208 2.358) 2.381 1.044 ( -0.915 0.730 4.458) 4.609 1.085 ( -1.413 2.533 -0.036) 2.900 1.167 ( -0.293 -3.002 0.355) 3.037 1.248 ( 1.690 2.866 0.733) 3.407 1.306 ( 2.164 -1.817 -1.242) 3.086 1.406 ( 2.088 2.812 -0.079) 3.503 1.419 ( -0.805 1.856 2.775) 3.434 1.489 ( 2.027 0.236 -0.763) 2.179 1.564 ( 1.182 -4.074 -0.997) 4.358 1.738 ( 0.887 2.237 1.036) 2.620 1.753 ( 3.016 0.275 0.010) 3.028 1.792 ( 1.799 -1.126 1.310) 2.495 1.855 ( 2.070 -0.570 3.179) 3.836 2.048 ( 0.227 -0.200 2.453) 2.471 2.086 ( 0.544 -0.104 1.221) 1.340 2.168 ( -3.660 6.081 1.714) 7.302 2.229 ( -1.768 -0.412 3.370) 3.828 2.315 ( -1.015 0.665 0.126) 1.220 2.328 ( -1.599 -2.492 -0.467) 2.997 2.397 ( -1.403 0.245 -0.255) 1.447 2.452 ( -2.123 -2.434 -0.399) 3.254 2.555 ( -0.457 1.569 0.053) 1.635 2.602 ( 1.289 -2.117 1.012) 2.677 2.763 ( -0.134 -0.709 -1.731) 1.875 2.809 ( -0.553 0.560 -1.409) 1.614 2.933 ( -1.018 0.316 -0.363) 1.126 2.994 ( 1.655 1.394 -0.133) 2.168 3.065 ( 4.640 -1.470 2.736) 5.584 3.152 ( 1.756 0.203 0.397) 1.812 3.278 ( -1.580 1.874 -5.879) 6.370 3.344 ( -1.569 -0.583 -11.674) 11.793 3.512 ( 0.684 0.209 -5.003) 5.054 3.623 ( -2.087 -0.837 -0.637) 2.337 3.874 ( 0.785 0.598 2.240) 2.448 3.916 ( -2.876 0.705 0.541) 3.010 4.024 ( -2.130 0.511 0.312) 2.212 4.086 ( 1.287 2.070 1.618) 2.925 4.136 ( -0.339 -0.713 2.570) 2.688 4.251 ( 0.673 0.233 2.741) 2.832 4.602 ( -0.965 1.326 -0.930) 1.885 4.668 ( -0.873 1.584 0.855) 2.001 4.974 ( -2.976 -0.450 1.425) 3.330 5.051 ( 0.274 -0.633 -1.119) 1.315 5.446 ( -4.345 0.163 -1.017) 4.465 5.592 ( 0.900 -0.291 1.347) 1.646 5.951 ( 2.993 3.391 -0.576) 4.559 6.029 ( 2.896 -2.846 -0.001) 4.060 6.155 ( -0.875 1.759 1.219) 2.312 6.245 ( 0.850 -0.176 -3.168) 3.284 6.422 ( -1.111 0.290 0.642) 1.316 6.490 ( 1.797 0.213 -1.488) 2.343 6.620 ( -1.041 -1.885 1.950) 2.905 6.676 ( 0.840 -1.478 -0.386) 1.743 6.780 ( -0.268 -0.336 -0.118) 0.446 6.812 ( -0.396 -2.238 -0.551) 2.338 7.120 ( 2.307 0.163 0.019) 2.313 7.159 ( 0.869 -0.417 2.690) 2.857 7.369 ( -1.116 -0.160 -0.304) 1.168 7.453 ( -0.610 -0.773 -0.804) 1.271 7.723 ( 1.531 0.643 0.383) 1.704 7.760 ( 2.004 -0.801 -0.385) 2.192 8.003 ( -0.415 0.323 -0.735) 0.903 8.136 ( 1.501 -0.428 0.740) 1.727 8.276 ( 0.801 -0.116 -0.095) 0.815 8.292 ( 0.708 -0.378 0.990) 1.274 9.625 ( -1.678 0.045 0.125) 1.684 9.636 ( -1.657 -0.360 -0.302) 1.722 11.286 ( 0.310 -0.341 -0.409) 0.616 11.324 ( 0.329 -0.327 1.036) 1.135 11.557 ( -0.468 -0.541 -1.364) 1.541 11.746 ( 1.353 -0.829 0.854) 1.802 12.153 ( -1.571 -0.468 2.392) 2.900 12.190 ( 1.608 -0.265 -2.651) 3.111 12.412 ( -0.759 0.539 -0.530) 1.071 12.486 ( -0.005 0.349 0.660) 0.747 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.985 -0.418 -2.521) 2.739 0.420 ( -3.261 -2.472 1.636) 4.407 0.701 ( -0.423 2.018 1.284) 2.429 0.736 ( -1.382 -0.879 0.287) 1.662 0.771 ( -2.769 -0.241 2.541) 3.766 0.805 ( 1.281 1.991 -1.141) 2.628 0.829 ( 1.788 0.016 -1.404) 2.273 0.946 ( 0.712 1.233 0.333) 1.463 1.006 ( -0.509 1.965 2.917) 3.554 1.053 ( -1.096 1.372 0.778) 1.921 1.089 ( -1.088 1.734 3.623) 4.162 1.152 ( -0.394 -2.343 -1.032) 2.591 1.264 ( -1.196 -0.084 1.514) 1.931 1.317 ( 0.213 0.860 -0.470) 1.003 1.432 ( -0.510 0.236 1.476) 1.579 1.473 ( 6.028 5.802 -0.310) 8.373 1.516 ( 0.444 0.930 -0.185) 1.047 1.607 ( 5.109 -4.242 0.402) 6.652 1.747 ( -1.412 2.714 0.955) 3.205 1.789 ( 2.578 0.382 -1.379) 2.948 1.866 ( 1.966 -0.441 3.850) 4.345 1.937 ( 2.376 -0.490 3.872) 4.569 2.041 ( -4.860 5.890 1.517) 7.786 2.111 ( -0.162 -0.537 2.076) 2.151 2.127 ( -0.633 -0.285 2.116) 2.227 2.224 ( -3.937 -4.883 0.525) 6.294 2.259 ( -3.915 -1.650 4.681) 6.322 2.353 ( 1.529 2.593 -0.412) 3.039 2.389 ( 0.167 -0.353 1.254) 1.314 2.422 ( -0.702 -2.311 -1.138) 2.670 2.529 ( 0.017 0.648 0.821) 1.047 2.667 ( 1.026 0.486 0.958) 1.485 2.735 ( 0.213 -0.486 -4.156) 4.190 2.764 ( -1.091 0.594 -2.286) 2.602 2.899 ( -1.723 -0.839 0.206) 1.927 3.023 ( 2.032 0.414 -0.488) 2.130 3.116 ( -0.365 0.873 -9.066) 9.115 3.152 ( 0.203 -1.475 -3.873) 4.149 3.213 ( 1.693 1.767 -1.623) 2.936 3.246 ( 2.962 -0.414 -1.353) 3.282 3.488 ( 1.371 1.808 -2.760) 3.573 3.560 ( -2.790 -0.614 -1.879) 3.419 3.851 ( -2.334 0.919 -1.035) 2.714 3.923 ( -1.630 -1.058 1.361) 2.373 3.983 ( -0.009 0.675 0.291) 0.735 4.113 ( -0.072 1.983 0.476) 2.040 4.183 ( 0.758 -0.913 3.899) 4.076 4.276 ( -0.857 0.172 1.492) 1.729 4.589 ( 0.176 1.118 0.012) 1.131 4.652 ( -1.521 1.504 -0.090) 2.141 4.950 ( -1.963 -0.570 2.406) 3.157 5.039 ( 0.123 -0.614 -1.605) 1.723 5.411 ( -0.271 -0.168 2.421) 2.442 5.611 ( -0.270 -0.332 -0.482) 0.645 5.993 ( 2.400 3.756 0.123) 4.459 6.064 ( 1.313 -1.040 -0.220) 1.689 6.156 ( -0.395 1.975 0.511) 2.078 6.207 ( -0.183 0.447 -3.699) 3.730 6.420 ( -0.612 -0.836 1.782) 2.061 6.496 ( 1.413 -0.786 -2.120) 2.666 6.627 ( -0.754 -1.585 1.790) 2.507 6.681 ( 0.609 -1.544 -0.909) 1.892 6.771 ( -0.308 -0.609 -0.638) 0.934 6.793 ( -0.693 -2.539 -0.971) 2.805 7.167 ( 2.414 0.053 0.585) 2.484 7.195 ( -0.262 -0.382 2.303) 2.349 7.356 ( -0.603 -0.466 0.654) 1.004 7.421 ( -0.892 -0.755 -1.839) 2.179 7.758 ( 1.573 0.939 0.716) 1.967 7.788 ( 1.528 -0.324 -0.385) 1.609 8.007 ( 0.807 0.235 1.105) 1.388 8.144 ( -0.332 -0.728 -1.253) 1.487 8.294 ( 0.956 -0.062 0.519) 1.089 8.315 ( 0.400 -0.268 0.878) 1.002 9.602 ( -1.126 0.115 0.122) 1.139 9.608 ( -1.246 -0.404 -0.121) 1.315 11.289 ( 0.468 -0.348 -0.141) 0.600 11.326 ( -0.669 -0.248 -0.176) 0.735 11.573 ( 1.790 -0.584 1.958) 2.716 11.753 ( -0.398 -0.824 -1.200) 1.509 12.151 ( -1.862 -0.457 2.312) 3.003 12.188 ( 1.716 -0.245 -2.552) 3.085 12.407 ( 0.225 0.570 0.422) 0.744 12.481 ( -0.740 0.332 -0.540) 0.975 =================== 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 3/23520 10.0 0.338 0.309 0.549 0.000 0.014 0.000 3/23520 20.0 0.158 0.160 0.224 0.000 0.006 0.000 3/23520 30.0 0.118 0.119 0.164 0.000 0.006 0.000 3/23520 40.0 0.097 0.097 0.138 0.000 0.006 0.000 3/23520 50.0 0.083 0.082 0.121 0.000 0.006 0.000 3/23520 60.0 0.072 0.072 0.107 0.000 0.006 0.000 3/23520 70.0 0.065 0.064 0.096 0.000 0.005 0.000 3/23520 80.0 0.058 0.057 0.088 0.000 0.005 0.000 3/23520 90.0 0.053 0.052 0.080 0.000 0.005 0.000 3/23520 100.0 0.049 0.048 0.074 0.000 0.005 0.000 3/23520 110.0 0.046 0.045 0.069 0.000 0.004 0.000 3/23520 120.0 0.043 0.041 0.064 0.000 0.004 0.000 3/23520 130.0 0.040 0.039 0.061 0.000 0.004 0.000 3/23520 140.0 0.038 0.037 0.057 0.000 0.004 0.000 3/23520 150.0 0.036 0.035 0.054 0.000 0.004 0.000 3/23520 160.0 0.034 0.033 0.052 0.000 0.004 0.000 3/23520 170.0 0.033 0.031 0.049 0.000 0.004 0.000 3/23520 180.0 0.031 0.030 0.047 0.000 0.003 0.000 3/23520 190.0 0.030 0.028 0.045 0.000 0.003 0.000 3/23520 200.0 0.029 0.027 0.043 0.000 0.003 0.000 3/23520 210.0 0.028 0.026 0.042 0.000 0.003 0.000 3/23520 220.0 0.027 0.025 0.040 0.000 0.003 0.000 3/23520 230.0 0.026 0.024 0.039 0.000 0.003 0.000 3/23520 240.0 0.025 0.023 0.037 0.000 0.003 0.000 3/23520 250.0 0.024 0.022 0.036 0.000 0.003 0.000 3/23520 260.0 0.023 0.022 0.035 0.000 0.003 0.000 3/23520 270.0 0.023 0.021 0.034 0.000 0.002 0.000 3/23520 280.0 0.022 0.020 0.033 0.000 0.002 0.000 3/23520 290.0 0.021 0.020 0.032 0.000 0.002 0.000 3/23520 300.0 0.021 0.019 0.031 0.000 0.002 0.000 3/23520 310.0 0.020 0.019 0.030 0.000 0.002 0.000 3/23520 320.0 0.020 0.018 0.029 0.000 0.002 0.000 3/23520 330.0 0.019 0.018 0.029 0.000 0.002 0.000 3/23520 340.0 0.019 0.017 0.028 0.000 0.002 0.000 3/23520 350.0 0.018 0.017 0.027 0.000 0.002 0.000 3/23520 360.0 0.018 0.016 0.027 0.000 0.002 0.000 3/23520 370.0 0.017 0.016 0.026 0.000 0.002 0.000 3/23520 380.0 0.017 0.016 0.025 0.000 0.002 0.000 3/23520 390.0 0.017 0.015 0.025 0.000 0.002 0.000 3/23520 400.0 0.016 0.015 0.024 0.000 0.002 0.000 3/23520 410.0 0.016 0.014 0.024 0.000 0.002 0.000 3/23520 420.0 0.015 0.014 0.023 0.000 0.002 0.000 3/23520 430.0 0.015 0.014 0.023 0.000 0.002 0.000 3/23520 440.0 0.015 0.014 0.022 0.000 0.002 0.000 3/23520 450.0 0.015 0.013 0.022 0.000 0.002 0.000 3/23520 460.0 0.014 0.013 0.021 0.000 0.001 0.000 3/23520 470.0 0.014 0.013 0.021 0.000 0.001 0.000 3/23520 480.0 0.014 0.013 0.021 0.000 0.001 0.000 3/23520 490.0 0.014 0.012 0.020 0.000 0.001 0.000 3/23520 500.0 0.013 0.012 0.020 0.000 0.001 0.000 3/23520 510.0 0.013 0.012 0.020 0.000 0.001 0.000 3/23520 520.0 0.013 0.012 0.019 0.000 0.001 0.000 3/23520 530.0 0.013 0.011 0.019 0.000 0.001 0.000 3/23520 540.0 0.012 0.011 0.019 0.000 0.001 0.000 3/23520 550.0 0.012 0.011 0.018 0.000 0.001 0.000 3/23520 560.0 0.012 0.011 0.018 0.000 0.001 0.000 3/23520 570.0 0.012 0.011 0.018 0.000 0.001 0.000 3/23520 580.0 0.012 0.011 0.017 0.000 0.001 0.000 3/23520 590.0 0.011 0.010 0.017 0.000 0.001 0.000 3/23520 600.0 0.011 0.010 0.017 0.000 0.001 0.000 3/23520 610.0 0.011 0.010 0.017 0.000 0.001 0.000 3/23520 620.0 0.011 0.010 0.016 0.000 0.001 0.000 3/23520 630.0 0.011 0.010 0.016 0.000 0.001 0.000 3/23520 640.0 0.011 0.010 0.016 0.000 0.001 0.000 3/23520 650.0 0.010 0.009 0.016 0.000 0.001 0.000 3/23520 660.0 0.010 0.009 0.016 0.000 0.001 0.000 3/23520 670.0 0.010 0.009 0.015 0.000 0.001 0.000 3/23520 680.0 0.010 0.009 0.015 0.000 0.001 0.000 3/23520 690.0 0.010 0.009 0.015 0.000 0.001 0.000 3/23520 700.0 0.010 0.009 0.015 0.000 0.001 0.000 3/23520 710.0 0.010 0.009 0.014 0.000 0.001 0.000 3/23520 720.0 0.010 0.009 0.014 0.000 0.001 0.000 3/23520 730.0 0.009 0.008 0.014 0.000 0.001 0.000 3/23520 740.0 0.009 0.008 0.014 0.000 0.001 0.000 3/23520 750.0 0.009 0.008 0.014 0.000 0.001 0.000 3/23520 760.0 0.009 0.008 0.014 0.000 0.001 0.000 3/23520 770.0 0.009 0.008 0.013 0.000 0.001 0.000 3/23520 780.0 0.009 0.008 0.013 0.000 0.001 0.000 3/23520 790.0 0.009 0.008 0.013 0.000 0.001 0.000 3/23520 800.0 0.009 0.008 0.013 0.000 0.001 0.000 3/23520 810.0 0.009 0.008 0.013 0.000 0.001 0.000 3/23520 820.0 0.008 0.008 0.013 0.000 0.001 0.000 3/23520 830.0 0.008 0.007 0.013 0.000 0.001 0.000 3/23520 840.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 850.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 860.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 870.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 880.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 890.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 900.0 0.008 0.007 0.012 0.000 0.001 0.000 3/23520 910.0 0.008 0.007 0.011 0.000 0.001 0.000 3/23520 920.0 0.008 0.007 0.011 0.000 0.001 0.000 3/23520 930.0 0.007 0.007 0.011 0.000 0.001 0.000 3/23520 940.0 0.007 0.007 0.011 0.000 0.001 0.000 3/23520 950.0 0.007 0.007 0.011 0.000 0.001 0.000 3/23520 960.0 0.007 0.007 0.011 0.000 0.001 0.000 3/23520 970.0 0.007 0.006 0.011 0.000 0.001 0.000 3/23520 980.0 0.007 0.006 0.011 0.000 0.001 0.000 3/23520 990.0 0.007 0.006 0.011 0.000 0.001 0.000 3/23520 1000.0 0.007 0.006 0.011 0.000 0.001 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|