----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:11:19]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.820169550310592 0.000000000000000 0.000000000000000 b 0.000000000000000 7.800186969999999 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): *1 Cl 0.72204402881364 0.15884332559336 0.31293302769988 35.453 2 Cl 0.27795597118636 0.65884332559336 0.18706697230012 35.453 3 Cl 0.27795597118636 0.84115667440664 0.68706697230012 35.453 4 Cl 0.72204402881364 0.34115667440664 0.81293302769988 35.453 *5 Cl 0.26911824308019 0.18902279231927 0.27780906190393 35.453 6 Cl 0.73088175691981 0.68902279231927 0.22219093809608 35.453 7 Cl 0.73088175691981 0.81097720768073 0.72219093809607 35.453 8 Cl 0.26911824308019 0.31097720768073 0.77780906190393 35.453 *9 Cl 0.95895363515749 0.32514141645238 0.08635741477842 35.453 10 Cl 0.04104636484251 0.82514141645238 0.41364258522158 35.453 11 Cl 0.04104636484251 0.67485858354762 0.91364258522158 35.453 12 Cl 0.95895363515749 0.17485858354762 0.58635741477842 35.453 *13 Cl 0.54260712688637 0.16579734766783 0.59827026693958 35.453 14 Cl 0.45739287311363 0.66579734766784 0.90172973306042 35.453 15 Cl 0.45739287311363 0.83420265233216 0.40172973306041 35.453 16 Cl 0.54260712688637 0.33420265233217 0.09827026693959 35.453 *17 Cl 0.27867973377467 0.04110724745429 0.00146601572370 35.453 18 Cl 0.72132026622533 0.54110724745429 0.49853398427630 35.453 19 Cl 0.72132026622533 0.95889275254571 0.99853398427630 35.453 20 Cl 0.27867973377467 0.45889275254571 0.50146601572370 35.453 *21 Tl 0.98885683738643 0.04754436014702 0.83262586656680 204.383 22 Tl 0.01114316261357 0.54754436014702 0.66737413343320 204.383 23 Tl 0.01114316261357 0.95245563985298 0.16737413343320 204.383 24 Tl 0.98885683738643 0.45245563985298 0.33262586656680 204.383 *25 Pb 0.49536995632369 0.48318296403727 0.32314142771151 207.200 26 Pb 0.50463004367631 0.98318296403727 0.17685857228849 207.200 27 Pb 0.50463004367631 0.51681703596273 0.67685857228849 207.200 28 Pb 0.49536995632369 0.01681703596273 0.82314142771151 207.200 *29 Pb 0.24716629408910 0.43048108466986 0.00636818458546 207.200 30 Pb 0.75283370591090 0.93048108466986 0.49363181541454 207.200 31 Pb 0.75283370591090 0.56951891533014 0.99363181541454 207.200 32 Pb 0.24716629408910 0.06951891533014 0.50636818458546 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.820169550310592 0.000000000000000 0.000000000000000 b 0.000000000000000 7.800186969999999 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): *1 Cl 0.72204402881364 0.15884332559336 0.31293302769988 35.453 > 1 2 Cl 0.27795597118636 0.65884332559336 0.18706697230012 35.453 > 2 3 Cl 0.27795597118636 0.84115667440664 0.68706697230012 35.453 > 3 4 Cl 0.72204402881364 0.34115667440664 0.81293302769988 35.453 > 4 *5 Cl 0.26911824308019 0.18902279231927 0.27780906190393 35.453 > 5 6 Cl 0.73088175691981 0.68902279231927 0.22219093809608 35.453 > 6 7 Cl 0.73088175691981 0.81097720768073 0.72219093809607 35.453 > 7 8 Cl 0.26911824308019 0.31097720768073 0.77780906190393 35.453 > 8 *9 Cl 0.95895363515749 0.32514141645238 0.08635741477842 35.453 > 9 10 Cl 0.04104636484251 0.82514141645238 0.41364258522158 35.453 > 10 11 Cl 0.04104636484251 0.67485858354762 0.91364258522158 35.453 > 11 12 Cl 0.95895363515749 0.17485858354762 0.58635741477842 35.453 > 12 *13 Cl 0.54260712688637 0.16579734766783 0.59827026693958 35.453 > 13 14 Cl 0.45739287311363 0.66579734766784 0.90172973306042 35.453 > 14 15 Cl 0.45739287311363 0.83420265233216 0.40172973306041 35.453 > 15 16 Cl 0.54260712688637 0.33420265233217 0.09827026693959 35.453 > 16 *17 Cl 0.27867973377467 0.04110724745429 0.00146601572370 35.453 > 17 18 Cl 0.72132026622533 0.54110724745429 0.49853398427630 35.453 > 18 19 Cl 0.72132026622533 0.95889275254571 0.99853398427630 35.453 > 19 20 Cl 0.27867973377467 0.45889275254571 0.50146601572370 35.453 > 20 *21 Tl 0.98885683738643 0.04754436014702 0.83262586656680 204.383 > 21 22 Tl 0.01114316261357 0.54754436014702 0.66737413343320 204.383 > 22 23 Tl 0.01114316261357 0.95245563985298 0.16737413343320 204.383 > 23 24 Tl 0.98885683738643 0.45245563985298 0.33262586656680 204.383 > 24 *25 Pb 0.49536995632369 0.48318296403727 0.32314142771151 207.200 > 25 26 Pb 0.50463004367631 0.98318296403727 0.17685857228849 207.200 > 26 27 Pb 0.50463004367631 0.51681703596273 0.67685857228849 207.200 > 27 28 Pb 0.49536995632369 0.01681703596273 0.82314142771151 207.200 > 28 *29 Pb 0.24716629408910 0.43048108466986 0.00636818458546 207.200 > 29 30 Pb 0.75283370591090 0.93048108466986 0.49363181541454 207.200 > 30 31 Pb 0.75283370591090 0.56951891533014 0.99363181541454 207.200 > 31 32 Pb 0.24716629408910 0.06951891533014 0.50636818458546 207.200 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.640339100621183 0.000000000000000 0.000000000000000 b 0.000000000000000 15.600373939999997 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): *1 Cl 0.36102201440682 0.07942166279668 0.31293302769988 35.453 > 1 2 Cl 0.86102201440682 0.07942166279668 0.31293302769988 35.453 > 1 3 Cl 0.36102201440682 0.57942166279668 0.31293302769988 35.453 > 1 4 Cl 0.86102201440682 0.57942166279668 0.31293302769988 35.453 > 1 5 Cl 0.13897798559318 0.32942166279668 0.18706697230012 35.453 > 2 6 Cl 0.63897798559318 0.32942166279668 0.18706697230012 35.453 > 2 7 Cl 0.13897798559318 0.82942166279668 0.18706697230012 35.453 > 2 8 Cl 0.63897798559318 0.82942166279668 0.18706697230012 35.453 > 2 9 Cl 0.13897798559318 0.42057833720332 0.68706697230012 35.453 > 3 10 Cl 0.63897798559318 0.42057833720332 0.68706697230012 35.453 > 3 11 Cl 0.13897798559318 0.92057833720332 0.68706697230012 35.453 > 3 12 Cl 0.63897798559318 0.92057833720332 0.68706697230012 35.453 > 3 13 Cl 0.36102201440682 0.17057833720332 0.81293302769988 35.453 > 4 14 Cl 0.86102201440682 0.17057833720332 0.81293302769988 35.453 > 4 15 Cl 0.36102201440682 0.67057833720332 0.81293302769988 35.453 > 4 16 Cl 0.86102201440682 0.67057833720332 0.81293302769988 35.453 > 4 *17 Cl 0.13455912154010 0.09451139615964 0.27780906190393 35.453 > 5 18 Cl 0.63455912154009 0.09451139615964 0.27780906190393 35.453 > 5 19 Cl 0.13455912154010 0.59451139615964 0.27780906190393 35.453 > 5 20 Cl 0.63455912154009 0.59451139615964 0.27780906190393 35.453 > 5 21 Cl 0.36544087845991 0.34451139615964 0.22219093809608 35.453 > 6 22 Cl 0.86544087845991 0.34451139615964 0.22219093809608 35.453 > 6 23 Cl 0.36544087845991 0.84451139615964 0.22219093809608 35.453 > 6 24 Cl 0.86544087845991 0.84451139615964 0.22219093809608 35.453 > 6 25 Cl 0.36544087845991 0.40548860384036 0.72219093809607 35.453 > 7 26 Cl 0.86544087845991 0.40548860384036 0.72219093809607 35.453 > 7 27 Cl 0.36544087845991 0.90548860384036 0.72219093809607 35.453 > 7 28 Cl 0.86544087845991 0.90548860384036 0.72219093809607 35.453 > 7 29 Cl 0.13455912154010 0.15548860384036 0.77780906190393 35.453 > 8 30 Cl 0.63455912154009 0.15548860384036 0.77780906190393 35.453 > 8 31 Cl 0.13455912154010 0.65548860384036 0.77780906190393 35.453 > 8 32 Cl 0.63455912154009 0.65548860384036 0.77780906190393 35.453 > 8 *33 Cl 0.47947681757874 0.16257070822619 0.08635741477842 35.453 > 9 34 Cl 0.97947681757874 0.16257070822619 0.08635741477842 35.453 > 9 35 Cl 0.47947681757874 0.66257070822619 0.08635741477842 35.453 > 9 36 Cl 0.97947681757874 0.66257070822619 0.08635741477842 35.453 > 9 37 Cl 0.02052318242126 0.41257070822619 0.41364258522158 35.453 > 10 38 Cl 0.52052318242126 0.41257070822619 0.41364258522158 35.453 > 10 39 Cl 0.02052318242126 0.91257070822619 0.41364258522158 35.453 > 10 40 Cl 0.52052318242126 0.91257070822619 0.41364258522158 35.453 > 10 41 Cl 0.02052318242126 0.33742929177381 0.91364258522158 35.453 > 11 42 Cl 0.52052318242126 0.33742929177381 0.91364258522158 35.453 > 11 43 Cl 0.02052318242126 0.83742929177381 0.91364258522158 35.453 > 11 44 Cl 0.52052318242126 0.83742929177381 0.91364258522158 35.453 > 11 45 Cl 0.47947681757874 0.08742929177381 0.58635741477842 35.453 > 12 46 Cl 0.97947681757874 0.08742929177381 0.58635741477842 35.453 > 12 47 Cl 0.47947681757874 0.58742929177381 0.58635741477842 35.453 > 12 48 Cl 0.97947681757874 0.58742929177381 0.58635741477842 35.453 > 12 *49 Cl 0.27130356344319 0.08289867383392 0.59827026693958 35.453 > 13 50 Cl 0.77130356344319 0.08289867383392 0.59827026693958 35.453 > 13 51 Cl 0.27130356344319 0.58289867383392 0.59827026693958 35.453 > 13 52 Cl 0.77130356344319 0.58289867383392 0.59827026693958 35.453 > 13 53 Cl 0.22869643655681 0.33289867383392 0.90172973306042 35.453 > 14 54 Cl 0.72869643655681 0.33289867383392 0.90172973306042 35.453 > 14 55 Cl 0.22869643655681 0.83289867383392 0.90172973306042 35.453 > 14 56 Cl 0.72869643655681 0.83289867383392 0.90172973306042 35.453 > 14 57 Cl 0.22869643655681 0.41710132616608 0.40172973306041 35.453 > 15 58 Cl 0.72869643655681 0.41710132616608 0.40172973306041 35.453 > 15 59 Cl 0.22869643655681 0.91710132616608 0.40172973306041 35.453 > 15 60 Cl 0.72869643655681 0.91710132616608 0.40172973306041 35.453 > 15 61 Cl 0.27130356344319 0.16710132616608 0.09827026693959 35.453 > 16 62 Cl 0.77130356344319 0.16710132616608 0.09827026693959 35.453 > 16 63 Cl 0.27130356344319 0.66710132616608 0.09827026693959 35.453 > 16 64 Cl 0.77130356344319 0.66710132616608 0.09827026693959 35.453 > 16 *65 Cl 0.13933986688733 0.02055362372715 0.00146601572370 35.453 > 17 66 Cl 0.63933986688733 0.02055362372715 0.00146601572370 35.453 > 17 67 Cl 0.13933986688733 0.52055362372715 0.00146601572370 35.453 > 17 68 Cl 0.63933986688733 0.52055362372715 0.00146601572370 35.453 > 17 69 Cl 0.36066013311267 0.27055362372715 0.49853398427630 35.453 > 18 70 Cl 0.86066013311267 0.27055362372715 0.49853398427630 35.453 > 18 71 Cl 0.36066013311267 0.77055362372715 0.49853398427630 35.453 > 18 72 Cl 0.86066013311267 0.77055362372715 0.49853398427630 35.453 > 18 73 Cl 0.36066013311267 0.47944637627285 0.99853398427630 35.453 > 19 74 Cl 0.86066013311267 0.47944637627285 0.99853398427630 35.453 > 19 75 Cl 0.36066013311267 0.97944637627285 0.99853398427630 35.453 > 19 76 Cl 0.86066013311267 0.97944637627285 0.99853398427630 35.453 > 19 77 Cl 0.13933986688733 0.22944637627285 0.50146601572370 35.453 > 20 78 Cl 0.63933986688733 0.22944637627285 0.50146601572370 35.453 > 20 79 Cl 0.13933986688733 0.72944637627285 0.50146601572370 35.453 > 20 80 Cl 0.63933986688733 0.72944637627285 0.50146601572370 35.453 > 20 *81 Tl 0.49442841869321 0.02377218007351 0.83262586656680 204.383 > 21 82 Tl 0.99442841869321 0.02377218007351 0.83262586656680 204.383 > 21 83 Tl 0.49442841869321 0.52377218007351 0.83262586656680 204.383 > 21 84 Tl 0.99442841869321 0.52377218007351 0.83262586656680 204.383 > 21 85 Tl 0.00557158130679 0.27377218007351 0.66737413343320 204.383 > 22 86 Tl 0.50557158130679 0.27377218007351 0.66737413343320 204.383 > 22 87 Tl 0.00557158130679 0.77377218007351 0.66737413343320 204.383 > 22 88 Tl 0.50557158130679 0.77377218007351 0.66737413343320 204.383 > 22 89 Tl 0.00557158130679 0.47622781992649 0.16737413343320 204.383 > 23 90 Tl 0.50557158130679 0.47622781992649 0.16737413343320 204.383 > 23 91 Tl 0.00557158130679 0.97622781992649 0.16737413343320 204.383 > 23 92 Tl 0.50557158130679 0.97622781992649 0.16737413343320 204.383 > 23 93 Tl 0.49442841869321 0.22622781992649 0.33262586656680 204.383 > 24 94 Tl 0.99442841869321 0.22622781992649 0.33262586656680 204.383 > 24 95 Tl 0.49442841869321 0.72622781992649 0.33262586656680 204.383 > 24 96 Tl 0.99442841869321 0.72622781992649 0.33262586656680 204.383 > 24 *97 Pb 0.24768497816184 0.24159148201864 0.32314142771151 207.200 > 25 98 Pb 0.74768497816184 0.24159148201864 0.32314142771151 207.200 > 25 99 Pb 0.24768497816184 0.74159148201864 0.32314142771151 207.200 > 25 100 Pb 0.74768497816184 0.74159148201864 0.32314142771151 207.200 > 25 101 Pb 0.25231502183816 0.49159148201864 0.17685857228849 207.200 > 26 102 Pb 0.75231502183816 0.49159148201864 0.17685857228849 207.200 > 26 103 Pb 0.25231502183816 0.99159148201864 0.17685857228849 207.200 > 26 104 Pb 0.75231502183816 0.99159148201864 0.17685857228849 207.200 > 26 105 Pb 0.25231502183816 0.25840851798136 0.67685857228849 207.200 > 27 106 Pb 0.75231502183816 0.25840851798136 0.67685857228849 207.200 > 27 107 Pb 0.25231502183816 0.75840851798136 0.67685857228849 207.200 > 27 108 Pb 0.75231502183816 0.75840851798136 0.67685857228849 207.200 > 27 109 Pb 0.24768497816184 0.00840851798137 0.82314142771151 207.200 > 28 110 Pb 0.74768497816184 0.00840851798137 0.82314142771151 207.200 > 28 111 Pb 0.24768497816184 0.50840851798136 0.82314142771151 207.200 > 28 112 Pb 0.74768497816184 0.50840851798136 0.82314142771151 207.200 > 28 *113 Pb 0.12358314704455 0.21524054233493 0.00636818458546 207.200 > 29 114 Pb 0.62358314704455 0.21524054233493 0.00636818458546 207.200 > 29 115 Pb 0.12358314704455 0.71524054233493 0.00636818458546 207.200 > 29 116 Pb 0.62358314704455 0.71524054233493 0.00636818458546 207.200 > 29 117 Pb 0.37641685295545 0.46524054233493 0.49363181541454 207.200 > 30 118 Pb 0.87641685295545 0.46524054233493 0.49363181541454 207.200 > 30 119 Pb 0.37641685295545 0.96524054233493 0.49363181541454 207.200 > 30 120 Pb 0.87641685295545 0.96524054233493 0.49363181541454 207.200 > 30 121 Pb 0.37641685295545 0.28475945766507 0.99363181541454 207.200 > 31 122 Pb 0.87641685295545 0.28475945766507 0.99363181541454 207.200 > 31 123 Pb 0.37641685295545 0.78475945766507 0.99363181541454 207.200 > 31 124 Pb 0.87641685295545 0.78475945766507 0.99363181541454 207.200 > 31 125 Pb 0.12358314704455 0.03475945766507 0.50636818458546 207.200 > 32 126 Pb 0.62358314704455 0.03475945766507 0.50636818458546 207.200 > 32 127 Pb 0.12358314704455 0.53475945766507 0.50636818458546 207.200 > 32 128 Pb 0.62358314704455 0.53475945766507 0.50636818458546 207.200 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2285237 0.0000000 0.0190042 0.0000000 5.1002335 0.0000000 0.0190035 0.0000000 5.1274410 -------------------------- Born effective charges -------------------------- 1 Cl -1.6519684 -0.0778928 -0.4407116 0.0003479 -1.9260519 0.1951372 -0.5470922 0.1598182 -1.7583536 2 Cl -1.6519684 0.0778928 -0.4407116 -0.0003479 -1.9260519 -0.1951372 -0.5470922 -0.1598182 -1.7583536 3 Cl -1.6519684 -0.0778928 -0.4407116 0.0003479 -1.9260519 0.1951372 -0.5470922 0.1598182 -1.7583536 4 Cl -1.6519684 0.0778928 -0.4407116 -0.0003479 -1.9260519 -0.1951372 -0.5470922 -0.1598182 -1.7583536 5 Cl -1.9465779 0.0211651 0.2659062 -0.0213824 -1.8557058 -0.0898885 0.3285689 -0.2741450 -1.9414474 6 Cl -1.9465779 -0.0211651 0.2659062 0.0213824 -1.8557058 0.0898885 0.3285689 0.2741450 -1.9414474 7 Cl -1.9465779 0.0211651 0.2659062 -0.0213824 -1.8557058 -0.0898885 0.3285689 -0.2741450 -1.9414474 8 Cl -1.9465779 -0.0211651 0.2659062 0.0213824 -1.8557058 0.0898885 0.3285689 0.2741450 -1.9414474 9 Cl -2.1653787 0.3786740 0.0087663 0.2442234 -1.7042620 0.3582713 0.0419124 0.4096876 -1.5186299 10 Cl -2.1653787 -0.3786740 0.0087663 -0.2442234 -1.7042620 -0.3582713 0.0419124 -0.4096876 -1.5186299 11 Cl -2.1653787 0.3786740 0.0087663 0.2442234 -1.7042620 0.3582713 0.0419124 0.4096876 -1.5186299 12 Cl -2.1653787 -0.3786740 0.0087663 -0.2442234 -1.7042620 -0.3582713 0.0419124 -0.4096876 -1.5186299 13 Cl -1.7046199 0.2788361 0.0527544 0.1633426 -2.0250210 -0.3808391 0.0363582 -0.4800217 -1.8176153 14 Cl -1.7046199 -0.2788361 0.0527544 -0.1633426 -2.0250210 0.3808391 0.0363582 0.4800217 -1.8176153 15 Cl -1.7046199 0.2788361 0.0527544 0.1633426 -2.0250210 -0.3808391 0.0363582 -0.4800217 -1.8176153 16 Cl -1.7046199 -0.2788361 0.0527544 -0.1633426 -2.0250210 0.3808391 0.0363582 0.4800217 -1.8176153 17 Cl -1.9671068 0.2171729 0.0679208 0.2473415 -1.4406760 -0.0355825 0.0756743 0.1845741 -2.1684987 18 Cl -1.9671068 -0.2171729 0.0679208 -0.2473415 -1.4406760 0.0355825 0.0756743 -0.1845741 -2.1684987 19 Cl -1.9671068 0.2171729 0.0679208 0.2473415 -1.4406760 -0.0355825 0.0756743 0.1845741 -2.1684987 20 Cl -1.9671068 -0.2171729 0.0679208 -0.2473415 -1.4406760 0.0355825 0.0756743 -0.1845741 -2.1684987 21 Tl 2.2727793 0.1122750 -0.0004529 0.0985813 1.9378161 -0.2307400 0.0623026 -0.3382074 1.9114604 22 Tl 2.2727793 -0.1122750 -0.0004529 -0.0985813 1.9378161 0.2307400 0.0623026 0.3382074 1.9114604 23 Tl 2.2727793 0.1122750 -0.0004529 0.0985813 1.9378161 -0.2307400 0.0623026 -0.3382074 1.9114604 24 Tl 2.2727793 -0.1122750 -0.0004529 -0.0985813 1.9378161 0.2307400 0.0623026 0.3382074 1.9114604 25 Pb 3.3214321 0.2313219 0.0314878 0.3568856 3.6529908 0.1811243 -0.0151715 0.1045081 3.8706190 26 Pb 3.3214321 -0.2313219 0.0314878 -0.3568856 3.6529908 -0.1811243 -0.0151715 -0.1045081 3.8706190 27 Pb 3.3214321 0.2313219 0.0314878 0.3568856 3.6529908 0.1811243 -0.0151715 0.1045081 3.8706190 28 Pb 3.3214321 -0.2313219 0.0314878 -0.3568856 3.6529908 -0.1811243 -0.0151715 -0.1045081 3.8706190 29 Pb 3.8414402 -0.1212862 0.0143290 -0.0605259 3.3609098 0.1855040 0.0174473 -0.0102206 3.4224656 30 Pb 3.8414402 0.1212862 0.0143290 0.0605259 3.3609098 -0.1855040 0.0174473 0.0102206 3.4224656 31 Pb 3.8414402 -0.1212862 0.0143290 -0.0605259 3.3609098 0.1855040 0.0174473 -0.0102206 3.4224656 32 Pb 3.8414402 0.1212862 0.0143290 0.0605259 3.3609098 -0.1855040 0.0174473 0.0102206 3.4224656 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.427 Solver_block: 200 / 960 - Time: 1.253 Solver_block: 300 / 960 - Time: 1.237 Solver_block: 400 / 960 - Time: 1.246 Solver_block: 500 / 960 - Time: 1.249 Solver_block: 600 / 960 - Time: 1.238 Solver_block: 700 / 960 - Time: 1.259 Solver_block: 800 / 960 - Time: 1.261 Solver_block: 900 / 960 - Time: 1.259 Solver_block: 960 / 960 - Time: 0.833 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.584 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:12:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:12:18]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.820169550310592 0.000000000000000 0.000000000000000 b 0.000000000000000 7.800186969999999 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): 1 Cl 0.72204402881364 0.15884332559336 0.31293302769988 35.453 2 Cl 0.27795597118636 0.65884332559336 0.18706697230012 35.453 3 Cl 0.27795597118636 0.84115667440664 0.68706697230012 35.453 4 Cl 0.72204402881364 0.34115667440664 0.81293302769988 35.453 5 Cl 0.26911824308019 0.18902279231927 0.27780906190393 35.453 6 Cl 0.73088175691981 0.68902279231927 0.22219093809608 35.453 7 Cl 0.73088175691981 0.81097720768073 0.72219093809607 35.453 8 Cl 0.26911824308019 0.31097720768073 0.77780906190393 35.453 9 Cl 0.95895363515749 0.32514141645238 0.08635741477842 35.453 10 Cl 0.04104636484251 0.82514141645238 0.41364258522158 35.453 11 Cl 0.04104636484251 0.67485858354762 0.91364258522158 35.453 12 Cl 0.95895363515749 0.17485858354762 0.58635741477842 35.453 13 Cl 0.54260712688637 0.16579734766783 0.59827026693958 35.453 14 Cl 0.45739287311363 0.66579734766784 0.90172973306042 35.453 15 Cl 0.45739287311363 0.83420265233216 0.40172973306041 35.453 16 Cl 0.54260712688637 0.33420265233217 0.09827026693959 35.453 17 Cl 0.27867973377467 0.04110724745429 0.00146601572370 35.453 18 Cl 0.72132026622533 0.54110724745429 0.49853398427630 35.453 19 Cl 0.72132026622533 0.95889275254571 0.99853398427630 35.453 20 Cl 0.27867973377467 0.45889275254571 0.50146601572370 35.453 21 Tl 0.98885683738643 0.04754436014702 0.83262586656680 204.383 22 Tl 0.01114316261357 0.54754436014702 0.66737413343320 204.383 23 Tl 0.01114316261357 0.95245563985298 0.16737413343320 204.383 24 Tl 0.98885683738643 0.45245563985298 0.33262586656680 204.383 25 Pb 0.49536995632369 0.48318296403727 0.32314142771151 207.200 26 Pb 0.50463004367631 0.98318296403727 0.17685857228849 207.200 27 Pb 0.50463004367631 0.51681703596273 0.67685857228849 207.200 28 Pb 0.49536995632369 0.01681703596273 0.82314142771151 207.200 29 Pb 0.24716629408910 0.43048108466986 0.00636818458546 207.200 30 Pb 0.75283370591090 0.93048108466986 0.49363181541454 207.200 31 Pb 0.75283370591090 0.56951891533014 0.99363181541454 207.200 32 Pb 0.24716629408910 0.06951891533014 0.50636818458546 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.640339100621183 0.000000000000000 0.000000000000000 b 0.000000000000000 15.600373939999997 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): 1 Cl 0.36102201440682 0.07942166279668 0.31293302769988 35.453 > 1 2 Cl 0.86102201440682 0.07942166279668 0.31293302769988 35.453 > 1 3 Cl 0.36102201440682 0.57942166279668 0.31293302769988 35.453 > 1 4 Cl 0.86102201440682 0.57942166279668 0.31293302769988 35.453 > 1 5 Cl 0.13897798559318 0.32942166279668 0.18706697230012 35.453 > 5 6 Cl 0.63897798559318 0.32942166279668 0.18706697230012 35.453 > 5 7 Cl 0.13897798559318 0.82942166279668 0.18706697230012 35.453 > 5 8 Cl 0.63897798559318 0.82942166279668 0.18706697230012 35.453 > 5 9 Cl 0.13897798559318 0.42057833720332 0.68706697230012 35.453 > 9 10 Cl 0.63897798559318 0.42057833720332 0.68706697230012 35.453 > 9 11 Cl 0.13897798559318 0.92057833720332 0.68706697230012 35.453 > 9 12 Cl 0.63897798559318 0.92057833720332 0.68706697230012 35.453 > 9 13 Cl 0.36102201440682 0.17057833720332 0.81293302769988 35.453 > 13 14 Cl 0.86102201440682 0.17057833720332 0.81293302769988 35.453 > 13 15 Cl 0.36102201440682 0.67057833720332 0.81293302769988 35.453 > 13 16 Cl 0.86102201440682 0.67057833720332 0.81293302769988 35.453 > 13 17 Cl 0.13455912154010 0.09451139615964 0.27780906190393 35.453 > 17 18 Cl 0.63455912154009 0.09451139615964 0.27780906190393 35.453 > 17 19 Cl 0.13455912154010 0.59451139615964 0.27780906190393 35.453 > 17 20 Cl 0.63455912154009 0.59451139615964 0.27780906190393 35.453 > 17 21 Cl 0.36544087845991 0.34451139615964 0.22219093809608 35.453 > 21 22 Cl 0.86544087845991 0.34451139615964 0.22219093809608 35.453 > 21 23 Cl 0.36544087845991 0.84451139615964 0.22219093809608 35.453 > 21 24 Cl 0.86544087845991 0.84451139615964 0.22219093809608 35.453 > 21 25 Cl 0.36544087845991 0.40548860384036 0.72219093809607 35.453 > 25 26 Cl 0.86544087845991 0.40548860384036 0.72219093809607 35.453 > 25 27 Cl 0.36544087845991 0.90548860384036 0.72219093809607 35.453 > 25 28 Cl 0.86544087845991 0.90548860384036 0.72219093809607 35.453 > 25 29 Cl 0.13455912154010 0.15548860384036 0.77780906190393 35.453 > 29 30 Cl 0.63455912154009 0.15548860384036 0.77780906190393 35.453 > 29 31 Cl 0.13455912154010 0.65548860384036 0.77780906190393 35.453 > 29 32 Cl 0.63455912154009 0.65548860384036 0.77780906190393 35.453 > 29 33 Cl 0.47947681757874 0.16257070822619 0.08635741477842 35.453 > 33 34 Cl 0.97947681757874 0.16257070822619 0.08635741477842 35.453 > 33 35 Cl 0.47947681757874 0.66257070822619 0.08635741477842 35.453 > 33 36 Cl 0.97947681757874 0.66257070822619 0.08635741477842 35.453 > 33 37 Cl 0.02052318242126 0.41257070822619 0.41364258522158 35.453 > 37 38 Cl 0.52052318242126 0.41257070822619 0.41364258522158 35.453 > 37 39 Cl 0.02052318242126 0.91257070822619 0.41364258522158 35.453 > 37 40 Cl 0.52052318242126 0.91257070822619 0.41364258522158 35.453 > 37 41 Cl 0.02052318242126 0.33742929177381 0.91364258522158 35.453 > 41 42 Cl 0.52052318242126 0.33742929177381 0.91364258522158 35.453 > 41 43 Cl 0.02052318242126 0.83742929177381 0.91364258522158 35.453 > 41 44 Cl 0.52052318242126 0.83742929177381 0.91364258522158 35.453 > 41 45 Cl 0.47947681757874 0.08742929177381 0.58635741477842 35.453 > 45 46 Cl 0.97947681757874 0.08742929177381 0.58635741477842 35.453 > 45 47 Cl 0.47947681757874 0.58742929177381 0.58635741477842 35.453 > 45 48 Cl 0.97947681757874 0.58742929177381 0.58635741477842 35.453 > 45 49 Cl 0.27130356344319 0.08289867383392 0.59827026693958 35.453 > 49 50 Cl 0.77130356344319 0.08289867383392 0.59827026693958 35.453 > 49 51 Cl 0.27130356344319 0.58289867383392 0.59827026693958 35.453 > 49 52 Cl 0.77130356344319 0.58289867383392 0.59827026693958 35.453 > 49 53 Cl 0.22869643655681 0.33289867383392 0.90172973306042 35.453 > 53 54 Cl 0.72869643655681 0.33289867383392 0.90172973306042 35.453 > 53 55 Cl 0.22869643655681 0.83289867383392 0.90172973306042 35.453 > 53 56 Cl 0.72869643655681 0.83289867383392 0.90172973306042 35.453 > 53 57 Cl 0.22869643655681 0.41710132616608 0.40172973306041 35.453 > 57 58 Cl 0.72869643655681 0.41710132616608 0.40172973306041 35.453 > 57 59 Cl 0.22869643655681 0.91710132616608 0.40172973306041 35.453 > 57 60 Cl 0.72869643655681 0.91710132616608 0.40172973306041 35.453 > 57 61 Cl 0.27130356344319 0.16710132616608 0.09827026693959 35.453 > 61 62 Cl 0.77130356344319 0.16710132616608 0.09827026693959 35.453 > 61 63 Cl 0.27130356344319 0.66710132616608 0.09827026693959 35.453 > 61 64 Cl 0.77130356344319 0.66710132616608 0.09827026693959 35.453 > 61 65 Cl 0.13933986688733 0.02055362372715 0.00146601572370 35.453 > 65 66 Cl 0.63933986688733 0.02055362372715 0.00146601572370 35.453 > 65 67 Cl 0.13933986688733 0.52055362372715 0.00146601572370 35.453 > 65 68 Cl 0.63933986688733 0.52055362372715 0.00146601572370 35.453 > 65 69 Cl 0.36066013311267 0.27055362372715 0.49853398427630 35.453 > 69 70 Cl 0.86066013311267 0.27055362372715 0.49853398427630 35.453 > 69 71 Cl 0.36066013311267 0.77055362372715 0.49853398427630 35.453 > 69 72 Cl 0.86066013311267 0.77055362372715 0.49853398427630 35.453 > 69 73 Cl 0.36066013311267 0.47944637627285 0.99853398427630 35.453 > 73 74 Cl 0.86066013311267 0.47944637627285 0.99853398427630 35.453 > 73 75 Cl 0.36066013311267 0.97944637627285 0.99853398427630 35.453 > 73 76 Cl 0.86066013311267 0.97944637627285 0.99853398427630 35.453 > 73 77 Cl 0.13933986688733 0.22944637627285 0.50146601572370 35.453 > 77 78 Cl 0.63933986688733 0.22944637627285 0.50146601572370 35.453 > 77 79 Cl 0.13933986688733 0.72944637627285 0.50146601572370 35.453 > 77 80 Cl 0.63933986688733 0.72944637627285 0.50146601572370 35.453 > 77 81 Tl 0.49442841869321 0.02377218007351 0.83262586656680 204.383 > 81 82 Tl 0.99442841869321 0.02377218007351 0.83262586656680 204.383 > 81 83 Tl 0.49442841869321 0.52377218007351 0.83262586656680 204.383 > 81 84 Tl 0.99442841869321 0.52377218007351 0.83262586656680 204.383 > 81 85 Tl 0.00557158130679 0.27377218007351 0.66737413343320 204.383 > 85 86 Tl 0.50557158130679 0.27377218007351 0.66737413343320 204.383 > 85 87 Tl 0.00557158130679 0.77377218007351 0.66737413343320 204.383 > 85 88 Tl 0.50557158130679 0.77377218007351 0.66737413343320 204.383 > 85 89 Tl 0.00557158130679 0.47622781992649 0.16737413343320 204.383 > 89 90 Tl 0.50557158130679 0.47622781992649 0.16737413343320 204.383 > 89 91 Tl 0.00557158130679 0.97622781992649 0.16737413343320 204.383 > 89 92 Tl 0.50557158130679 0.97622781992649 0.16737413343320 204.383 > 89 93 Tl 0.49442841869321 0.22622781992649 0.33262586656680 204.383 > 93 94 Tl 0.99442841869321 0.22622781992649 0.33262586656680 204.383 > 93 95 Tl 0.49442841869321 0.72622781992649 0.33262586656680 204.383 > 93 96 Tl 0.99442841869321 0.72622781992649 0.33262586656680 204.383 > 93 97 Pb 0.24768497816184 0.24159148201864 0.32314142771151 207.200 > 97 98 Pb 0.74768497816184 0.24159148201864 0.32314142771151 207.200 > 97 99 Pb 0.24768497816184 0.74159148201864 0.32314142771151 207.200 > 97 100 Pb 0.74768497816184 0.74159148201864 0.32314142771151 207.200 > 97 101 Pb 0.25231502183816 0.49159148201864 0.17685857228849 207.200 > 101 102 Pb 0.75231502183816 0.49159148201864 0.17685857228849 207.200 > 101 103 Pb 0.25231502183816 0.99159148201864 0.17685857228849 207.200 > 101 104 Pb 0.75231502183816 0.99159148201864 0.17685857228849 207.200 > 101 105 Pb 0.25231502183816 0.25840851798136 0.67685857228849 207.200 > 105 106 Pb 0.75231502183816 0.25840851798136 0.67685857228849 207.200 > 105 107 Pb 0.25231502183816 0.75840851798136 0.67685857228849 207.200 > 105 108 Pb 0.75231502183816 0.75840851798136 0.67685857228849 207.200 > 105 109 Pb 0.24768497816184 0.00840851798137 0.82314142771151 207.200 > 109 110 Pb 0.74768497816184 0.00840851798137 0.82314142771151 207.200 > 109 111 Pb 0.24768497816184 0.50840851798136 0.82314142771151 207.200 > 109 112 Pb 0.74768497816184 0.50840851798136 0.82314142771151 207.200 > 109 113 Pb 0.12358314704455 0.21524054233493 0.00636818458546 207.200 > 113 114 Pb 0.62358314704455 0.21524054233493 0.00636818458546 207.200 > 113 115 Pb 0.12358314704455 0.71524054233493 0.00636818458546 207.200 > 113 116 Pb 0.62358314704455 0.71524054233493 0.00636818458546 207.200 > 113 117 Pb 0.37641685295545 0.46524054233493 0.49363181541454 207.200 > 117 118 Pb 0.87641685295545 0.46524054233493 0.49363181541454 207.200 > 117 119 Pb 0.37641685295545 0.96524054233493 0.49363181541454 207.200 > 117 120 Pb 0.87641685295545 0.96524054233493 0.49363181541454 207.200 > 117 121 Pb 0.37641685295545 0.28475945766507 0.99363181541454 207.200 > 121 122 Pb 0.87641685295545 0.28475945766507 0.99363181541454 207.200 > 121 123 Pb 0.37641685295545 0.78475945766507 0.99363181541454 207.200 > 121 124 Pb 0.87641685295545 0.78475945766507 0.99363181541454 207.200 > 121 125 Pb 0.12358314704455 0.03475945766507 0.50636818458546 207.200 > 125 126 Pb 0.62358314704455 0.03475945766507 0.50636818458546 207.200 > 125 127 Pb 0.12358314704455 0.53475945766507 0.50636818458546 207.200 > 125 128 Pb 0.62358314704455 0.53475945766507 0.50636818458546 207.200 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2285237 0.0000000 0.0190042 0.0000000 5.1002335 0.0000000 0.0190035 0.0000000 5.1274410 -------------------------- Born effective charges -------------------------- 1 Cl -1.6519684 -0.0778928 -0.4407116 0.0003479 -1.9260519 0.1951372 -0.5470922 0.1598182 -1.7583536 2 Cl -1.6519684 0.0778928 -0.4407116 -0.0003479 -1.9260519 -0.1951372 -0.5470922 -0.1598182 -1.7583536 3 Cl -1.6519684 -0.0778928 -0.4407116 0.0003479 -1.9260519 0.1951372 -0.5470922 0.1598182 -1.7583536 4 Cl -1.6519684 0.0778928 -0.4407116 -0.0003479 -1.9260519 -0.1951372 -0.5470922 -0.1598182 -1.7583536 5 Cl -1.9465779 0.0211651 0.2659062 -0.0213824 -1.8557058 -0.0898885 0.3285689 -0.2741450 -1.9414474 6 Cl -1.9465779 -0.0211651 0.2659062 0.0213824 -1.8557058 0.0898885 0.3285689 0.2741450 -1.9414474 7 Cl -1.9465779 0.0211651 0.2659062 -0.0213824 -1.8557058 -0.0898885 0.3285689 -0.2741450 -1.9414474 8 Cl -1.9465779 -0.0211651 0.2659062 0.0213824 -1.8557058 0.0898885 0.3285689 0.2741450 -1.9414474 9 Cl -2.1653787 0.3786740 0.0087663 0.2442234 -1.7042620 0.3582713 0.0419124 0.4096876 -1.5186299 10 Cl -2.1653787 -0.3786740 0.0087663 -0.2442234 -1.7042620 -0.3582713 0.0419124 -0.4096876 -1.5186299 11 Cl -2.1653787 0.3786740 0.0087663 0.2442234 -1.7042620 0.3582713 0.0419124 0.4096876 -1.5186299 12 Cl -2.1653787 -0.3786740 0.0087663 -0.2442234 -1.7042620 -0.3582713 0.0419124 -0.4096876 -1.5186299 13 Cl -1.7046199 0.2788361 0.0527544 0.1633426 -2.0250210 -0.3808391 0.0363582 -0.4800217 -1.8176153 14 Cl -1.7046199 -0.2788361 0.0527544 -0.1633426 -2.0250210 0.3808391 0.0363582 0.4800217 -1.8176153 15 Cl -1.7046199 0.2788361 0.0527544 0.1633426 -2.0250210 -0.3808391 0.0363582 -0.4800217 -1.8176153 16 Cl -1.7046199 -0.2788361 0.0527544 -0.1633426 -2.0250210 0.3808391 0.0363582 0.4800217 -1.8176153 17 Cl -1.9671068 0.2171729 0.0679208 0.2473415 -1.4406760 -0.0355825 0.0756743 0.1845741 -2.1684987 18 Cl -1.9671068 -0.2171729 0.0679208 -0.2473415 -1.4406760 0.0355825 0.0756743 -0.1845741 -2.1684987 19 Cl -1.9671068 0.2171729 0.0679208 0.2473415 -1.4406760 -0.0355825 0.0756743 0.1845741 -2.1684987 20 Cl -1.9671068 -0.2171729 0.0679208 -0.2473415 -1.4406760 0.0355825 0.0756743 -0.1845741 -2.1684987 21 Tl 2.2727793 0.1122750 -0.0004529 0.0985813 1.9378161 -0.2307400 0.0623026 -0.3382074 1.9114604 22 Tl 2.2727793 -0.1122750 -0.0004529 -0.0985813 1.9378161 0.2307400 0.0623026 0.3382074 1.9114604 23 Tl 2.2727793 0.1122750 -0.0004529 0.0985813 1.9378161 -0.2307400 0.0623026 -0.3382074 1.9114604 24 Tl 2.2727793 -0.1122750 -0.0004529 -0.0985813 1.9378161 0.2307400 0.0623026 0.3382074 1.9114604 25 Pb 3.3214321 0.2313219 0.0314878 0.3568856 3.6529908 0.1811243 -0.0151715 0.1045081 3.8706190 26 Pb 3.3214321 -0.2313219 0.0314878 -0.3568856 3.6529908 -0.1811243 -0.0151715 -0.1045081 3.8706190 27 Pb 3.3214321 0.2313219 0.0314878 0.3568856 3.6529908 0.1811243 -0.0151715 0.1045081 3.8706190 28 Pb 3.3214321 -0.2313219 0.0314878 -0.3568856 3.6529908 -0.1811243 -0.0151715 -0.1045081 3.8706190 29 Pb 3.8414402 -0.1212862 0.0143290 -0.0605259 3.3609098 0.1855040 0.0174473 -0.0102206 3.4224656 30 Pb 3.8414402 0.1212862 0.0143290 0.0605259 3.3609098 -0.1855040 0.0174473 0.0102206 3.4224656 31 Pb 3.8414402 -0.1212862 0.0143290 -0.0605259 3.3609098 0.1855040 0.0174473 -0.0102206 3.4224656 32 Pb 3.8414402 0.1212862 0.0143290 0.0605259 3.3609098 -0.1855040 0.0174473 0.0102206 3.4224656 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:13:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:13:03]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.820169550310592 0.000000000000000 0.000000000000000 b 0.000000000000000 7.800186969999999 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): 1 Cl 0.72204402881364 0.15884332559336 0.31293302769988 35.453 2 Cl 0.27795597118636 0.65884332559336 0.18706697230012 35.453 3 Cl 0.27795597118636 0.84115667440664 0.68706697230012 35.453 4 Cl 0.72204402881364 0.34115667440664 0.81293302769988 35.453 5 Cl 0.26911824308019 0.18902279231927 0.27780906190393 35.453 6 Cl 0.73088175691981 0.68902279231927 0.22219093809608 35.453 7 Cl 0.73088175691981 0.81097720768073 0.72219093809607 35.453 8 Cl 0.26911824308019 0.31097720768073 0.77780906190393 35.453 9 Cl 0.95895363515749 0.32514141645238 0.08635741477842 35.453 10 Cl 0.04104636484251 0.82514141645238 0.41364258522158 35.453 11 Cl 0.04104636484251 0.67485858354762 0.91364258522158 35.453 12 Cl 0.95895363515749 0.17485858354762 0.58635741477842 35.453 13 Cl 0.54260712688637 0.16579734766783 0.59827026693958 35.453 14 Cl 0.45739287311363 0.66579734766784 0.90172973306042 35.453 15 Cl 0.45739287311363 0.83420265233216 0.40172973306041 35.453 16 Cl 0.54260712688637 0.33420265233217 0.09827026693959 35.453 17 Cl 0.27867973377467 0.04110724745429 0.00146601572370 35.453 18 Cl 0.72132026622533 0.54110724745429 0.49853398427630 35.453 19 Cl 0.72132026622533 0.95889275254571 0.99853398427630 35.453 20 Cl 0.27867973377467 0.45889275254571 0.50146601572370 35.453 21 Tl 0.98885683738643 0.04754436014702 0.83262586656680 204.383 22 Tl 0.01114316261357 0.54754436014702 0.66737413343320 204.383 23 Tl 0.01114316261357 0.95245563985298 0.16737413343320 204.383 24 Tl 0.98885683738643 0.45245563985298 0.33262586656680 204.383 25 Pb 0.49536995632369 0.48318296403727 0.32314142771151 207.200 26 Pb 0.50463004367631 0.98318296403727 0.17685857228849 207.200 27 Pb 0.50463004367631 0.51681703596273 0.67685857228849 207.200 28 Pb 0.49536995632369 0.01681703596273 0.82314142771151 207.200 29 Pb 0.24716629408910 0.43048108466986 0.00636818458546 207.200 30 Pb 0.75283370591090 0.93048108466986 0.49363181541454 207.200 31 Pb 0.75283370591090 0.56951891533014 0.99363181541454 207.200 32 Pb 0.24716629408910 0.06951891533014 0.50636818458546 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.640339100621183 0.000000000000000 0.000000000000000 b 0.000000000000000 15.600373939999997 0.000000000000000 c -0.044407036597099 0.000000000000000 12.375096403105351 Atomic positions (fractional): 1 Cl 0.36102201440682 0.07942166279668 0.31293302769988 35.453 > 1 2 Cl 0.86102201440682 0.07942166279668 0.31293302769988 35.453 > 1 3 Cl 0.36102201440682 0.57942166279668 0.31293302769988 35.453 > 1 4 Cl 0.86102201440682 0.57942166279668 0.31293302769988 35.453 > 1 5 Cl 0.13897798559318 0.32942166279668 0.18706697230012 35.453 > 5 6 Cl 0.63897798559318 0.32942166279668 0.18706697230012 35.453 > 5 7 Cl 0.13897798559318 0.82942166279668 0.18706697230012 35.453 > 5 8 Cl 0.63897798559318 0.82942166279668 0.18706697230012 35.453 > 5 9 Cl 0.13897798559318 0.42057833720332 0.68706697230012 35.453 > 9 10 Cl 0.63897798559318 0.42057833720332 0.68706697230012 35.453 > 9 11 Cl 0.13897798559318 0.92057833720332 0.68706697230012 35.453 > 9 12 Cl 0.63897798559318 0.92057833720332 0.68706697230012 35.453 > 9 13 Cl 0.36102201440682 0.17057833720332 0.81293302769988 35.453 > 13 14 Cl 0.86102201440682 0.17057833720332 0.81293302769988 35.453 > 13 15 Cl 0.36102201440682 0.67057833720332 0.81293302769988 35.453 > 13 16 Cl 0.86102201440682 0.67057833720332 0.81293302769988 35.453 > 13 17 Cl 0.13455912154010 0.09451139615964 0.27780906190393 35.453 > 17 18 Cl 0.63455912154009 0.09451139615964 0.27780906190393 35.453 > 17 19 Cl 0.13455912154010 0.59451139615964 0.27780906190393 35.453 > 17 20 Cl 0.63455912154009 0.59451139615964 0.27780906190393 35.453 > 17 21 Cl 0.36544087845991 0.34451139615964 0.22219093809608 35.453 > 21 22 Cl 0.86544087845991 0.34451139615964 0.22219093809608 35.453 > 21 23 Cl 0.36544087845991 0.84451139615964 0.22219093809608 35.453 > 21 24 Cl 0.86544087845991 0.84451139615964 0.22219093809608 35.453 > 21 25 Cl 0.36544087845991 0.40548860384036 0.72219093809607 35.453 > 25 26 Cl 0.86544087845991 0.40548860384036 0.72219093809607 35.453 > 25 27 Cl 0.36544087845991 0.90548860384036 0.72219093809607 35.453 > 25 28 Cl 0.86544087845991 0.90548860384036 0.72219093809607 35.453 > 25 29 Cl 0.13455912154010 0.15548860384036 0.77780906190393 35.453 > 29 30 Cl 0.63455912154009 0.15548860384036 0.77780906190393 35.453 > 29 31 Cl 0.13455912154010 0.65548860384036 0.77780906190393 35.453 > 29 32 Cl 0.63455912154009 0.65548860384036 0.77780906190393 35.453 > 29 33 Cl 0.47947681757874 0.16257070822619 0.08635741477842 35.453 > 33 34 Cl 0.97947681757874 0.16257070822619 0.08635741477842 35.453 > 33 35 Cl 0.47947681757874 0.66257070822619 0.08635741477842 35.453 > 33 36 Cl 0.97947681757874 0.66257070822619 0.08635741477842 35.453 > 33 37 Cl 0.02052318242126 0.41257070822619 0.41364258522158 35.453 > 37 38 Cl 0.52052318242126 0.41257070822619 0.41364258522158 35.453 > 37 39 Cl 0.02052318242126 0.91257070822619 0.41364258522158 35.453 > 37 40 Cl 0.52052318242126 0.91257070822619 0.41364258522158 35.453 > 37 41 Cl 0.02052318242126 0.33742929177381 0.91364258522158 35.453 > 41 42 Cl 0.52052318242126 0.33742929177381 0.91364258522158 35.453 > 41 43 Cl 0.02052318242126 0.83742929177381 0.91364258522158 35.453 > 41 44 Cl 0.52052318242126 0.83742929177381 0.91364258522158 35.453 > 41 45 Cl 0.47947681757874 0.08742929177381 0.58635741477842 35.453 > 45 46 Cl 0.97947681757874 0.08742929177381 0.58635741477842 35.453 > 45 47 Cl 0.47947681757874 0.58742929177381 0.58635741477842 35.453 > 45 48 Cl 0.97947681757874 0.58742929177381 0.58635741477842 35.453 > 45 49 Cl 0.27130356344319 0.08289867383392 0.59827026693958 35.453 > 49 50 Cl 0.77130356344319 0.08289867383392 0.59827026693958 35.453 > 49 51 Cl 0.27130356344319 0.58289867383392 0.59827026693958 35.453 > 49 52 Cl 0.77130356344319 0.58289867383392 0.59827026693958 35.453 > 49 53 Cl 0.22869643655681 0.33289867383392 0.90172973306042 35.453 > 53 54 Cl 0.72869643655681 0.33289867383392 0.90172973306042 35.453 > 53 55 Cl 0.22869643655681 0.83289867383392 0.90172973306042 35.453 > 53 56 Cl 0.72869643655681 0.83289867383392 0.90172973306042 35.453 > 53 57 Cl 0.22869643655681 0.41710132616608 0.40172973306041 35.453 > 57 58 Cl 0.72869643655681 0.41710132616608 0.40172973306041 35.453 > 57 59 Cl 0.22869643655681 0.91710132616608 0.40172973306041 35.453 > 57 60 Cl 0.72869643655681 0.91710132616608 0.40172973306041 35.453 > 57 61 Cl 0.27130356344319 0.16710132616608 0.09827026693959 35.453 > 61 62 Cl 0.77130356344319 0.16710132616608 0.09827026693959 35.453 > 61 63 Cl 0.27130356344319 0.66710132616608 0.09827026693959 35.453 > 61 64 Cl 0.77130356344319 0.66710132616608 0.09827026693959 35.453 > 61 65 Cl 0.13933986688733 0.02055362372715 0.00146601572370 35.453 > 65 66 Cl 0.63933986688733 0.02055362372715 0.00146601572370 35.453 > 65 67 Cl 0.13933986688733 0.52055362372715 0.00146601572370 35.453 > 65 68 Cl 0.63933986688733 0.52055362372715 0.00146601572370 35.453 > 65 69 Cl 0.36066013311267 0.27055362372715 0.49853398427630 35.453 > 69 70 Cl 0.86066013311267 0.27055362372715 0.49853398427630 35.453 > 69 71 Cl 0.36066013311267 0.77055362372715 0.49853398427630 35.453 > 69 72 Cl 0.86066013311267 0.77055362372715 0.49853398427630 35.453 > 69 73 Cl 0.36066013311267 0.47944637627285 0.99853398427630 35.453 > 73 74 Cl 0.86066013311267 0.47944637627285 0.99853398427630 35.453 > 73 75 Cl 0.36066013311267 0.97944637627285 0.99853398427630 35.453 > 73 76 Cl 0.86066013311267 0.97944637627285 0.99853398427630 35.453 > 73 77 Cl 0.13933986688733 0.22944637627285 0.50146601572370 35.453 > 77 78 Cl 0.63933986688733 0.22944637627285 0.50146601572370 35.453 > 77 79 Cl 0.13933986688733 0.72944637627285 0.50146601572370 35.453 > 77 80 Cl 0.63933986688733 0.72944637627285 0.50146601572370 35.453 > 77 81 Tl 0.49442841869321 0.02377218007351 0.83262586656680 204.383 > 81 82 Tl 0.99442841869321 0.02377218007351 0.83262586656680 204.383 > 81 83 Tl 0.49442841869321 0.52377218007351 0.83262586656680 204.383 > 81 84 Tl 0.99442841869321 0.52377218007351 0.83262586656680 204.383 > 81 85 Tl 0.00557158130679 0.27377218007351 0.66737413343320 204.383 > 85 86 Tl 0.50557158130679 0.27377218007351 0.66737413343320 204.383 > 85 87 Tl 0.00557158130679 0.77377218007351 0.66737413343320 204.383 > 85 88 Tl 0.50557158130679 0.77377218007351 0.66737413343320 204.383 > 85 89 Tl 0.00557158130679 0.47622781992649 0.16737413343320 204.383 > 89 90 Tl 0.50557158130679 0.47622781992649 0.16737413343320 204.383 > 89 91 Tl 0.00557158130679 0.97622781992649 0.16737413343320 204.383 > 89 92 Tl 0.50557158130679 0.97622781992649 0.16737413343320 204.383 > 89 93 Tl 0.49442841869321 0.22622781992649 0.33262586656680 204.383 > 93 94 Tl 0.99442841869321 0.22622781992649 0.33262586656680 204.383 > 93 95 Tl 0.49442841869321 0.72622781992649 0.33262586656680 204.383 > 93 96 Tl 0.99442841869321 0.72622781992649 0.33262586656680 204.383 > 93 97 Pb 0.24768497816184 0.24159148201864 0.32314142771151 207.200 > 97 98 Pb 0.74768497816184 0.24159148201864 0.32314142771151 207.200 > 97 99 Pb 0.24768497816184 0.74159148201864 0.32314142771151 207.200 > 97 100 Pb 0.74768497816184 0.74159148201864 0.32314142771151 207.200 > 97 101 Pb 0.25231502183816 0.49159148201864 0.17685857228849 207.200 > 101 102 Pb 0.75231502183816 0.49159148201864 0.17685857228849 207.200 > 101 103 Pb 0.25231502183816 0.99159148201864 0.17685857228849 207.200 > 101 104 Pb 0.75231502183816 0.99159148201864 0.17685857228849 207.200 > 101 105 Pb 0.25231502183816 0.25840851798136 0.67685857228849 207.200 > 105 106 Pb 0.75231502183816 0.25840851798136 0.67685857228849 207.200 > 105 107 Pb 0.25231502183816 0.75840851798136 0.67685857228849 207.200 > 105 108 Pb 0.75231502183816 0.75840851798136 0.67685857228849 207.200 > 105 109 Pb 0.24768497816184 0.00840851798137 0.82314142771151 207.200 > 109 110 Pb 0.74768497816184 0.00840851798137 0.82314142771151 207.200 > 109 111 Pb 0.24768497816184 0.50840851798136 0.82314142771151 207.200 > 109 112 Pb 0.74768497816184 0.50840851798136 0.82314142771151 207.200 > 109 113 Pb 0.12358314704455 0.21524054233493 0.00636818458546 207.200 > 113 114 Pb 0.62358314704455 0.21524054233493 0.00636818458546 207.200 > 113 115 Pb 0.12358314704455 0.71524054233493 0.00636818458546 207.200 > 113 116 Pb 0.62358314704455 0.71524054233493 0.00636818458546 207.200 > 113 117 Pb 0.37641685295545 0.46524054233493 0.49363181541454 207.200 > 117 118 Pb 0.87641685295545 0.46524054233493 0.49363181541454 207.200 > 117 119 Pb 0.37641685295545 0.96524054233493 0.49363181541454 207.200 > 117 120 Pb 0.87641685295545 0.96524054233493 0.49363181541454 207.200 > 117 121 Pb 0.37641685295545 0.28475945766507 0.99363181541454 207.200 > 121 122 Pb 0.87641685295545 0.28475945766507 0.99363181541454 207.200 > 121 123 Pb 0.37641685295545 0.78475945766507 0.99363181541454 207.200 > 121 124 Pb 0.87641685295545 0.78475945766507 0.99363181541454 207.200 > 121 125 Pb 0.12358314704455 0.03475945766507 0.50636818458546 207.200 > 125 126 Pb 0.62358314704455 0.03475945766507 0.50636818458546 207.200 > 125 127 Pb 0.12358314704455 0.53475945766507 0.50636818458546 207.200 > 125 128 Pb 0.62358314704455 0.53475945766507 0.50636818458546 207.200 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2285237 0.0000000 0.0190042 0.0000000 5.1002335 0.0000000 0.0190035 0.0000000 5.1274410 -------------------------- Born effective charges -------------------------- 1 Cl -1.6519684 -0.0778928 -0.4407116 0.0003479 -1.9260519 0.1951372 -0.5470922 0.1598182 -1.7583536 2 Cl -1.6519684 0.0778928 -0.4407116 -0.0003479 -1.9260519 -0.1951372 -0.5470922 -0.1598182 -1.7583536 3 Cl -1.6519684 -0.0778928 -0.4407116 0.0003479 -1.9260519 0.1951372 -0.5470922 0.1598182 -1.7583536 4 Cl -1.6519684 0.0778928 -0.4407116 -0.0003479 -1.9260519 -0.1951372 -0.5470922 -0.1598182 -1.7583536 5 Cl -1.9465779 0.0211651 0.2659062 -0.0213824 -1.8557058 -0.0898885 0.3285689 -0.2741450 -1.9414474 6 Cl -1.9465779 -0.0211651 0.2659062 0.0213824 -1.8557058 0.0898885 0.3285689 0.2741450 -1.9414474 7 Cl -1.9465779 0.0211651 0.2659062 -0.0213824 -1.8557058 -0.0898885 0.3285689 -0.2741450 -1.9414474 8 Cl -1.9465779 -0.0211651 0.2659062 0.0213824 -1.8557058 0.0898885 0.3285689 0.2741450 -1.9414474 9 Cl -2.1653787 0.3786740 0.0087663 0.2442234 -1.7042620 0.3582713 0.0419124 0.4096876 -1.5186299 10 Cl -2.1653787 -0.3786740 0.0087663 -0.2442234 -1.7042620 -0.3582713 0.0419124 -0.4096876 -1.5186299 11 Cl -2.1653787 0.3786740 0.0087663 0.2442234 -1.7042620 0.3582713 0.0419124 0.4096876 -1.5186299 12 Cl -2.1653787 -0.3786740 0.0087663 -0.2442234 -1.7042620 -0.3582713 0.0419124 -0.4096876 -1.5186299 13 Cl -1.7046199 0.2788361 0.0527544 0.1633426 -2.0250210 -0.3808391 0.0363582 -0.4800217 -1.8176153 14 Cl -1.7046199 -0.2788361 0.0527544 -0.1633426 -2.0250210 0.3808391 0.0363582 0.4800217 -1.8176153 15 Cl -1.7046199 0.2788361 0.0527544 0.1633426 -2.0250210 -0.3808391 0.0363582 -0.4800217 -1.8176153 16 Cl -1.7046199 -0.2788361 0.0527544 -0.1633426 -2.0250210 0.3808391 0.0363582 0.4800217 -1.8176153 17 Cl -1.9671068 0.2171729 0.0679208 0.2473415 -1.4406760 -0.0355825 0.0756743 0.1845741 -2.1684987 18 Cl -1.9671068 -0.2171729 0.0679208 -0.2473415 -1.4406760 0.0355825 0.0756743 -0.1845741 -2.1684987 19 Cl -1.9671068 0.2171729 0.0679208 0.2473415 -1.4406760 -0.0355825 0.0756743 0.1845741 -2.1684987 20 Cl -1.9671068 -0.2171729 0.0679208 -0.2473415 -1.4406760 0.0355825 0.0756743 -0.1845741 -2.1684987 21 Tl 2.2727793 0.1122750 -0.0004529 0.0985813 1.9378161 -0.2307400 0.0623026 -0.3382074 1.9114604 22 Tl 2.2727793 -0.1122750 -0.0004529 -0.0985813 1.9378161 0.2307400 0.0623026 0.3382074 1.9114604 23 Tl 2.2727793 0.1122750 -0.0004529 0.0985813 1.9378161 -0.2307400 0.0623026 -0.3382074 1.9114604 24 Tl 2.2727793 -0.1122750 -0.0004529 -0.0985813 1.9378161 0.2307400 0.0623026 0.3382074 1.9114604 25 Pb 3.3214321 0.2313219 0.0314878 0.3568856 3.6529908 0.1811243 -0.0151715 0.1045081 3.8706190 26 Pb 3.3214321 -0.2313219 0.0314878 -0.3568856 3.6529908 -0.1811243 -0.0151715 -0.1045081 3.8706190 27 Pb 3.3214321 0.2313219 0.0314878 0.3568856 3.6529908 0.1811243 -0.0151715 0.1045081 3.8706190 28 Pb 3.3214321 -0.2313219 0.0314878 -0.3568856 3.6529908 -0.1811243 -0.0151715 -0.1045081 3.8706190 29 Pb 3.8414402 -0.1212862 0.0143290 -0.0605259 3.3609098 0.1855040 0.0174473 -0.0102206 3.4224656 30 Pb 3.8414402 0.1212862 0.0143290 0.0605259 3.3609098 -0.1855040 0.0174473 0.0102206 3.4224656 31 Pb 3.8414402 -0.1212862 0.0143290 -0.0605259 3.3609098 0.1855040 0.0174473 -0.0102206 3.4224656 32 Pb 3.8414402 0.1212862 0.0143290 0.0605259 3.3609098 -0.1855040 0.0174473 0.0102206 3.4224656 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 4 ] 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: 0.44, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 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 0.693 ( 0.000 0.000 0.000) 0.000 0.723 ( 0.000 0.000 0.000) 0.000 0.746 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 0.831 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 0.896 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 13.456 0.000 0.722) 13.475 0.289 ( 14.751 0.000 -1.270) 14.805 0.533 ( 26.270 0.000 1.807) 26.332 0.704 ( 0.344 0.000 -0.796) 0.867 0.723 ( 0.534 0.000 1.200) 1.313 0.744 ( 0.330 0.000 0.201) 0.387 0.830 ( 1.460 0.000 -0.605) 1.581 0.874 ( -0.818 0.000 -1.261) 1.503 0.899 ( 1.427 0.000 -0.417) 1.486 0.914 ( 1.813 0.000 -1.404) 2.293 1.018 ( -1.383 0.000 1.916) 2.363 1.040 ( -2.015 0.000 1.356) 2.429 1.069 ( 1.879 0.000 -2.057) 2.785 1.094 ( 1.114 0.000 -1.623) 1.969 1.128 ( 0.077 0.000 -1.120) 1.123 1.160 ( 1.262 0.000 -0.689) 1.438 1.184 ( 1.460 0.000 1.094) 1.824 1.198 ( 0.120 0.000 1.195) 1.201 1.225 ( 2.935 0.000 -0.486) 2.975 1.236 ( -2.640 0.000 0.922) 2.796 1.321 ( 0.268 0.000 3.861) 3.870 1.364 ( 0.503 0.000 -0.366) 0.622 1.514 ( 3.951 0.000 -0.522) 3.986 1.528 ( -1.299 0.000 -0.767) 1.508 1.642 ( 3.843 0.000 -0.895) 3.946 1.736 ( 2.209 0.000 2.976) 3.707 1.792 ( 2.634 0.000 -3.940) 4.739 1.889 ( 0.649 0.000 -2.857) 2.930 1.897 ( -1.384 0.000 -4.730) 4.928 1.945 ( -1.615 0.000 1.635) 2.298 1.948 ( 1.130 0.000 2.113) 2.397 1.967 ( -0.264 0.000 0.076) 0.275 1.994 ( -3.092 0.000 -3.258) 4.492 2.039 ( -0.866 0.000 2.255) 2.416 2.132 ( -7.237 0.000 2.185) 7.560 2.139 ( 0.641 0.000 1.877) 1.983 2.144 ( 1.373 0.000 -2.372) 2.741 2.254 ( -0.448 0.000 5.567) 5.585 2.351 ( -0.588 0.000 3.688) 3.735 2.448 ( 2.494 0.000 1.297) 2.811 2.449 ( 0.931 0.000 0.891) 1.289 2.466 ( -0.385 0.000 -5.351) 5.365 2.506 ( 1.182 0.000 -1.995) 2.319 2.656 ( -3.589 0.000 -0.218) 3.595 2.731 ( -2.537 0.000 5.008) 5.614 2.755 ( -0.320 0.000 -2.274) 2.296 2.971 ( 0.459 0.000 3.282) 3.314 3.040 ( 2.107 0.000 -0.038) 2.108 3.143 ( -0.173 0.000 5.843) 5.845 3.205 ( -4.473 0.000 -4.098) 6.066 3.276 ( -1.567 0.000 -2.051) 2.581 3.306 ( -2.418 0.000 -1.205) 2.702 3.374 ( 0.862 0.000 2.357) 2.510 3.497 ( 3.197 0.000 1.140) 3.395 3.513 ( 4.449 0.000 0.297) 4.459 3.609 ( -0.011 0.000 -0.134) 0.135 3.678 ( 1.183 0.000 -3.449) 3.647 3.758 ( 0.565 0.000 -0.636) 0.851 3.797 ( -0.953 0.000 0.882) 1.298 3.811 ( -1.939 0.000 0.575) 2.022 3.852 ( -3.669 0.000 -0.119) 3.671 3.868 ( 4.439 0.000 1.662) 4.740 3.918 ( -1.508 0.000 -1.114) 1.875 3.994 ( 1.867 0.000 0.663) 1.981 4.002 ( 0.563 0.000 1.074) 1.213 4.095 ( -3.605 0.000 2.363) 4.310 4.119 ( -0.102 0.000 0.415) 0.428 4.183 ( -2.935 0.000 -2.137) 3.631 4.231 ( -0.945 0.000 -0.139) 0.955 4.243 ( -4.509 0.000 -1.507) 4.755 4.405 ( -5.383 0.000 0.715) 5.430 4.409 ( 1.002 0.000 -2.776) 2.951 4.457 ( 0.954 0.000 0.245) 0.985 4.460 ( -0.061 0.000 1.304) 1.306 4.565 ( -0.961 0.000 0.857) 1.287 4.585 ( 5.171 0.000 -3.268) 6.117 4.609 ( 2.633 0.000 3.304) 4.225 4.648 ( -1.117 0.000 1.165) 1.614 4.670 ( -0.158 0.000 -2.721) 2.726 4.783 ( 1.629 0.000 3.131) 3.529 4.857 ( 2.715 0.000 0.995) 2.892 4.945 ( 5.224 0.000 -0.338) 5.235 5.086 ( 1.294 0.000 -3.336) 3.578 5.133 ( 2.563 0.000 -1.073) 2.779 5.198 ( 2.062 0.000 0.624) 2.154 5.295 ( 3.024 0.000 1.166) 3.241 5.378 ( -1.441 0.000 -0.154) 1.449 5.764 ( -1.536 0.000 -0.165) 1.545 5.781 ( -0.546 0.000 0.111) 0.557 5.873 ( -2.535 0.000 -0.182) 2.541 5.961 ( 0.415 0.000 2.035) 2.077 6.048 ( -2.185 0.000 3.886) 4.458 6.129 ( -0.382 0.000 -7.191) 7.201 6.209 ( -1.767 0.000 -2.743) 3.263 6.305 ( -1.784 0.000 0.937) 2.015 6.380 ( -0.492 0.000 0.287) 0.570 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 11.317 0.000 -0.523) 11.329 0.542 ( 11.194 0.000 -0.794) 11.222 0.698 ( 0.046 0.000 -1.701) 1.702 0.731 ( 0.161 0.000 1.818) 1.825 0.746 ( 1.224 0.000 1.724) 2.114 0.827 ( -3.756 0.000 -1.137) 3.924 0.857 ( 0.131 0.000 0.780) 0.791 0.901 ( 3.392 0.000 1.473) 3.698 0.957 ( 2.388 0.000 -2.413) 3.395 0.976 ( 3.090 0.000 -1.107) 3.282 0.987 ( -2.846 0.000 -0.467) 2.884 1.034 ( 9.942 0.000 2.181) 10.178 1.075 ( -1.494 0.000 0.226) 1.511 1.101 ( -0.555 0.000 -0.208) 0.593 1.159 ( -1.401 0.000 1.856) 2.325 1.169 ( 7.296 0.000 -1.696) 7.491 1.187 ( 0.599 0.000 1.768) 1.867 1.191 ( 0.005 0.000 1.016) 1.016 1.245 ( 1.492 0.000 -2.211) 2.667 1.286 ( 2.843 0.000 -2.504) 3.789 1.379 ( 0.901 0.000 -0.747) 1.170 1.383 ( 4.657 0.000 1.490) 4.889 1.512 ( 0.192 0.000 1.413) 1.426 1.580 ( 2.702 0.000 0.715) 2.795 1.705 ( 1.619 0.000 1.232) 2.035 1.756 ( 0.572 0.000 2.136) 2.211 1.820 ( -1.100 0.000 -2.691) 2.907 1.858 ( -7.145 0.000 -4.633) 8.515 1.891 ( -0.118 0.000 -6.451) 6.452 1.909 ( -1.851 0.000 1.204) 2.208 1.918 ( -2.053 0.000 -0.089) 2.055 1.974 ( 1.154 0.000 3.509) 3.694 1.985 ( -6.227 0.000 -1.922) 6.517 1.996 ( 4.026 0.000 2.006) 4.498 2.026 ( -0.380 0.000 0.479) 0.611 2.163 ( 2.329 0.000 -0.953) 2.516 2.178 ( 2.222 0.000 -0.600) 2.302 2.241 ( -0.804 0.000 3.016) 3.121 2.352 ( 0.718 0.000 4.068) 4.131 2.444 ( -1.185 0.000 -1.089) 1.609 2.467 ( -2.171 0.000 2.081) 3.007 2.479 ( 1.628 0.000 0.112) 1.632 2.532 ( 1.177 0.000 -1.065) 1.587 2.596 ( -1.156 0.000 -0.102) 1.160 2.679 ( -2.628 0.000 2.024) 3.318 2.746 ( -0.606 0.000 -2.899) 2.962 2.979 ( -0.154 0.000 3.841) 3.844 3.074 ( 1.357 0.000 1.691) 2.168 3.132 ( -1.837 0.000 -4.726) 5.070 3.148 ( 0.349 0.000 1.692) 1.727 3.241 ( -4.300 0.000 -1.244) 4.477 3.249 ( -0.953 0.000 -1.642) 1.899 3.393 ( 1.059 0.000 2.097) 2.349 3.560 ( 2.873 0.000 0.847) 2.995 3.567 ( 2.456 0.000 2.997) 3.874 3.649 ( 1.991 0.000 -4.324) 4.760 3.691 ( 0.082 0.000 -2.274) 2.275 3.745 ( -2.157 0.000 -0.985) 2.371 3.764 ( -2.264 0.000 0.731) 2.379 3.780 ( -3.259 0.000 1.049) 3.423 3.822 ( 3.342 0.000 1.720) 3.759 3.871 ( -1.786 0.000 -2.886) 3.394 3.933 ( 1.562 0.000 0.588) 1.669 3.997 ( -2.773 0.000 1.458) 3.133 4.030 ( 1.284 0.000 5.158) 5.316 4.092 ( -2.226 0.000 -4.553) 5.068 4.095 ( 3.937 0.000 2.838) 4.853 4.160 ( -3.458 0.000 0.949) 3.586 4.172 ( 2.016 0.000 -4.912) 5.310 4.208 ( -0.614 0.000 1.745) 1.850 4.292 ( -3.876 0.000 -2.416) 4.568 4.373 ( -4.275 0.000 -0.307) 4.286 4.461 ( -0.178 0.000 1.514) 1.525 4.497 ( 1.988 0.000 -0.871) 2.170 4.562 ( 0.543 0.000 2.537) 2.595 4.577 ( -5.151 0.000 -0.779) 5.210 4.628 ( -0.590 0.000 -2.682) 2.746 4.696 ( 2.085 0.000 1.667) 2.669 4.715 ( 6.261 0.000 -1.841) 6.526 4.816 ( 2.321 0.000 1.225) 2.624 4.912 ( 2.275 0.000 1.060) 2.510 5.054 ( 6.061 0.000 2.403) 6.520 5.131 ( -1.184 0.000 1.293) 1.753 5.140 ( 3.444 0.000 -2.009) 3.987 5.267 ( 1.121 0.000 -8.224) 8.300 5.333 ( -1.436 0.000 4.866) 5.074 5.343 ( 1.713 0.000 1.956) 2.600 5.732 ( -1.588 0.000 -0.269) 1.610 5.785 ( 1.239 0.000 -0.681) 1.413 5.811 ( -3.467 0.000 0.070) 3.468 5.988 ( -3.872 0.000 1.824) 4.280 6.008 ( 4.681 0.000 3.063) 5.594 6.121 ( -0.299 0.000 -2.485) 2.503 6.160 ( -2.718 0.000 -4.344) 5.124 6.255 ( -3.771 0.000 1.415) 4.028 6.371 ( -0.405 0.000 0.291) 0.499 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 0.000 0.000) 0.000 0.654 ( 0.000 0.000 -0.000) 0.000 0.720 ( -0.000 0.000 0.000) 0.000 0.744 ( 0.000 0.000 0.000) 0.000 0.756 ( 0.000 0.000 0.000) 0.000 0.765 ( 0.000 0.000 -0.000) 0.000 0.808 ( -0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 -0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 0.987 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 -0.000) 0.000 1.087 ( 0.000 0.000 -0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.149 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 -0.000) 0.000 1.259 ( 0.000 0.000 -0.000) 0.000 1.302 ( 0.000 0.000 -0.000) 0.000 1.389 ( 0.000 0.000 -0.000) 0.000 1.389 ( -0.000 0.000 -0.000) 0.000 1.464 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 -0.000) 0.000 1.608 ( 0.000 0.000 -0.000) 0.000 1.653 ( 0.000 0.000 -0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 -0.000) 0.000 1.802 ( 0.000 0.000 -0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 -0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 -0.000) 0.000 2.025 ( 0.000 0.000 -0.000) 0.000 2.042 ( 0.000 0.000 -0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 -0.000) 0.000 2.239 ( 0.000 0.000 -0.000) 0.000 2.369 ( 0.000 0.000 -0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 -0.000) 0.000 2.650 ( 0.000 0.000 -0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.149 ( -0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 -0.000) 0.000 3.241 ( 0.000 0.000 -0.000) 0.000 3.406 ( 0.000 0.000 -0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.626 ( -0.000 0.000 -0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.872 ( -0.000 0.000 -0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 -0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 -0.000) 0.000 4.167 ( 0.000 0.000 -0.000) 0.000 4.182 ( 0.000 0.000 -0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 -0.000) 0.000 4.509 ( 0.000 0.000 -0.000) 0.000 4.514 ( 0.000 0.000 -0.000) 0.000 4.568 ( 0.000 0.000 -0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 -0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 -0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 -0.000) 0.000 5.196 ( -0.000 0.000 -0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 -0.000) 0.000 5.715 ( 0.000 0.000 -0.000) 0.000 5.770 ( 0.000 0.000 -0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 -0.000) 0.000 6.151 ( 0.000 0.000 -0.000) 0.000 6.177 ( -0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 0.000 12.409 0.000) 12.409 0.331 ( 0.000 14.437 0.000) 14.437 0.535 ( 0.000 22.129 0.000) 22.129 0.685 ( 0.000 -2.841 0.000) 2.841 0.686 ( 0.000 -0.536 0.000) 0.536 0.776 ( 0.000 -0.124 0.000) 0.124 0.832 ( 0.000 0.189 0.000) 0.189 0.840 ( 0.000 2.180 0.000) 2.180 0.900 ( 0.000 0.688 0.000) 0.688 0.918 ( 0.000 3.442 0.000) 3.442 1.028 ( 0.000 -0.145 0.000) 0.145 1.047 ( 0.000 0.333 0.000) 0.333 1.066 ( 0.000 -1.387 0.000) 1.387 1.073 ( 0.000 0.153 0.000) 0.153 1.092 ( 0.000 -1.714 0.000) 1.714 1.106 ( 0.000 0.561 0.000) 0.561 1.176 ( 0.000 -0.077 0.000) 0.077 1.206 ( 0.000 0.861 0.000) 0.861 1.214 ( 0.000 0.526 0.000) 0.526 1.274 ( 0.000 -1.577 0.000) 1.577 1.289 ( 0.000 -0.590 0.000) 0.590 1.410 ( 0.000 -4.347 0.000) 4.347 1.427 ( 0.000 -0.055 0.000) 0.055 1.531 ( 0.000 -4.100 0.000) 4.100 1.534 ( 0.000 -1.374 0.000) 1.374 1.674 ( 0.000 -9.746 0.000) 9.746 1.726 ( 0.000 -2.642 0.000) 2.642 1.841 ( 0.000 1.101 0.000) 1.101 1.905 ( 0.000 0.700 0.000) 0.700 1.925 ( 0.000 4.760 0.000) 4.760 1.961 ( 0.000 1.141 0.000) 1.141 1.976 ( 0.000 3.312 0.000) 3.312 2.003 ( 0.000 -2.770 0.000) 2.770 2.093 ( 0.000 1.418 0.000) 1.418 2.097 ( 0.000 1.257 0.000) 1.257 2.146 ( 0.000 -0.036 0.000) 0.036 2.260 ( 0.000 1.213 0.000) 1.213 2.323 ( 0.000 2.418 0.000) 2.418 2.348 ( 0.000 -1.596 0.000) 1.596 2.414 ( 0.000 -1.943 0.000) 1.943 2.415 ( 0.000 -0.514 0.000) 0.514 2.487 ( 0.000 3.321 0.000) 3.321 2.522 ( 0.000 1.726 0.000) 1.726 2.699 ( 0.000 -0.077 0.000) 0.077 2.739 ( 0.000 0.496 0.000) 0.496 2.905 ( 0.000 -1.407 0.000) 1.407 3.002 ( 0.000 2.430 0.000) 2.430 3.028 ( 0.000 0.735 0.000) 0.735 3.133 ( 0.000 -11.294 0.000) 11.294 3.193 ( 0.000 -8.886 0.000) 8.886 3.251 ( 0.000 -3.906 0.000) 3.906 3.305 ( 0.000 0.276 0.000) 0.276 3.360 ( 0.000 -5.810 0.000) 5.810 3.495 ( 0.000 1.253 0.000) 1.253 3.524 ( 0.000 0.086 0.000) 0.086 3.603 ( 0.000 -3.519 0.000) 3.519 3.650 ( 0.000 -0.497 0.000) 0.497 3.732 ( 0.000 -0.743 0.000) 0.743 3.750 ( 0.000 -2.663 0.000) 2.663 3.772 ( 0.000 -3.021 0.000) 3.021 3.875 ( 0.000 7.983 0.000) 7.983 3.907 ( 0.000 1.256 0.000) 1.256 3.907 ( 0.000 6.012 0.000) 6.012 3.951 ( 0.000 0.570 0.000) 0.570 4.038 ( 0.000 -3.239 0.000) 3.239 4.111 ( 0.000 -0.706 0.000) 0.706 4.154 ( 0.000 5.037 0.000) 5.037 4.211 ( 0.000 -3.701 0.000) 3.701 4.278 ( 0.000 -1.289 0.000) 1.289 4.298 ( 0.000 4.660 0.000) 4.660 4.359 ( 0.000 -1.571 0.000) 1.571 4.365 ( 0.000 -4.496 0.000) 4.496 4.425 ( 0.000 -2.568 0.000) 2.568 4.467 ( 0.000 -2.585 0.000) 2.585 4.513 ( 0.000 -1.209 0.000) 1.209 4.560 ( 0.000 0.744 0.000) 0.744 4.627 ( 0.000 1.254 0.000) 1.254 4.664 ( 0.000 3.025 0.000) 3.025 4.690 ( 0.000 -1.344 0.000) 1.344 4.739 ( 0.000 4.568 0.000) 4.568 4.844 ( 0.000 1.691 0.000) 1.691 4.958 ( 0.000 0.884 0.000) 0.884 5.041 ( 0.000 0.706 0.000) 0.706 5.049 ( 0.000 -4.383 0.000) 4.383 5.257 ( 0.000 3.274 0.000) 3.274 5.319 ( 0.000 4.449 0.000) 4.449 5.378 ( 0.000 -0.778 0.000) 0.778 5.491 ( 0.000 -0.121 0.000) 0.121 5.763 ( 0.000 -2.315 0.000) 2.315 5.789 ( 0.000 1.323 0.000) 1.323 5.836 ( 0.000 -4.242 0.000) 4.242 6.032 ( 0.000 5.386 0.000) 5.386 6.140 ( 0.000 -6.301 0.000) 6.301 6.172 ( 0.000 4.722 0.000) 4.722 6.405 ( 0.000 0.640 0.000) 0.640 6.570 ( 0.000 -3.829 0.000) 3.829 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 6.655 8.855 -3.999) 11.777 0.382 ( 8.298 8.727 4.565) 12.879 0.661 ( -1.371 -2.141 -0.598) 2.612 0.703 ( 2.326 -0.230 1.758) 2.924 0.732 ( 11.745 7.687 0.983) 14.071 0.781 ( 1.818 3.049 -1.083) 3.711 0.840 ( 0.510 1.641 0.079) 1.720 0.868 ( 1.569 0.011 -0.197) 1.582 0.920 ( 1.804 0.877 -0.712) 2.128 0.944 ( 3.557 5.394 -0.392) 6.473 1.022 ( -0.908 0.670 0.124) 1.135 1.041 ( -1.604 -0.422 -0.545) 1.746 1.067 ( 0.779 0.272 -1.449) 1.667 1.090 ( 1.483 -0.326 2.025) 2.531 1.120 ( 1.231 -0.429 -2.135) 2.501 1.132 ( 2.176 -3.293 0.193) 3.952 1.180 ( 2.068 0.663 -0.102) 2.174 1.193 ( -1.087 -0.319 1.483) 1.866 1.220 ( 0.197 -0.728 1.741) 1.897 1.241 ( -1.704 0.986 -1.387) 2.408 1.300 ( 1.501 -0.621 2.385) 2.886 1.382 ( -1.752 -0.107 0.429) 1.807 1.457 ( 3.019 -4.294 0.525) 5.275 1.537 ( 1.147 -2.086 -0.117) 2.384 1.558 ( 1.887 -2.618 -2.151) 3.878 1.695 ( -0.314 -10.939 -0.388) 10.951 1.735 ( 2.844 -1.361 0.359) 3.174 1.830 ( -0.078 2.059 -4.189) 4.668 1.903 ( 1.054 0.972 0.794) 1.639 1.939 ( -1.338 1.322 -1.197) 2.229 1.953 ( -0.101 0.889 -0.164) 0.909 1.981 ( 0.346 0.075 0.442) 0.566 2.021 ( 0.446 -0.873 1.687) 1.951 2.084 ( -1.303 2.100 0.408) 2.505 2.085 ( -1.016 1.547 -1.239) 2.227 2.167 ( 2.075 0.200 0.094) 2.087 2.234 ( -3.351 1.447 0.985) 3.781 2.283 ( -2.319 3.000 0.780) 3.871 2.340 ( -0.985 -1.793 0.962) 2.260 2.408 ( -0.257 -1.759 2.876) 3.381 2.448 ( 2.340 -0.106 0.633) 2.426 2.497 ( 0.595 0.282 0.413) 0.777 2.520 ( 0.286 3.335 -2.777) 4.350 2.672 ( -2.924 0.328 -0.865) 3.067 2.717 ( -1.665 1.281 -1.356) 2.501 2.855 ( -4.264 1.770 -0.722) 4.673 2.980 ( -1.344 0.689 2.873) 3.246 3.051 ( 1.670 -1.307 -0.932) 2.317 3.125 ( -3.909 -5.081 1.041) 6.494 3.153 ( 0.558 -6.255 -0.047) 6.280 3.223 ( -6.552 -1.209 -0.242) 6.667 3.290 ( -1.184 0.430 3.625) 3.838 3.342 ( 2.941 -4.242 -1.676) 5.427 3.396 ( -0.312 -0.921 1.670) 1.933 3.515 ( 2.032 -0.531 -1.250) 2.444 3.627 ( -0.670 -1.300 -2.217) 2.656 3.683 ( 1.282 -3.877 3.166) 5.167 3.705 ( -0.996 -2.147 -0.284) 2.384 3.764 ( -0.392 -2.131 -0.713) 2.281 3.794 ( 0.290 -2.894 1.975) 3.516 3.888 ( 0.161 6.877 -4.219) 8.069 3.899 ( 0.369 -1.721 -1.307) 2.192 3.924 ( 0.744 4.363 1.026) 4.543 3.977 ( -0.136 0.375 2.242) 2.277 3.995 ( -3.070 -1.624 1.631) 3.838 4.081 ( -3.189 -0.786 -0.570) 3.334 4.156 ( -0.941 0.224 -0.772) 1.238 4.179 ( -3.585 -0.168 -1.518) 3.897 4.211 ( -0.003 -1.748 1.422) 2.254 4.276 ( -3.429 2.320 -0.849) 4.227 4.306 ( -3.993 -6.729 1.407) 7.950 4.392 ( 1.283 -0.672 -0.258) 1.471 4.430 ( -0.114 0.892 0.436) 0.999 4.524 ( 2.652 0.548 0.920) 2.859 4.532 ( 0.881 -1.206 1.056) 1.829 4.572 ( -0.077 -0.313 -3.746) 3.760 4.625 ( 3.607 2.545 2.648) 5.148 4.695 ( 0.941 0.382 -1.040) 1.453 4.748 ( 3.273 3.952 -0.252) 5.138 4.764 ( 3.414 4.135 0.509) 5.386 4.845 ( 2.423 -0.817 1.219) 2.833 5.016 ( 4.539 1.630 -3.716) 6.089 5.067 ( 1.990 -2.683 -1.091) 3.513 5.114 ( 5.740 -0.501 0.408) 5.776 5.208 ( -2.842 4.194 0.661) 5.109 5.319 ( 0.424 1.161 1.977) 2.331 5.369 ( -1.256 -0.418 -2.110) 2.491 5.697 ( 9.337 -10.059 1.113) 13.769 5.742 ( -1.274 -2.914 0.274) 3.192 5.799 ( 0.869 -1.104 0.014) 1.405 5.831 ( 0.980 -2.719 -0.232) 2.900 6.023 ( -0.782 4.495 1.843) 4.921 6.118 ( -2.279 -1.603 0.391) 2.814 6.169 ( -0.506 0.714 -3.056) 3.179 6.393 ( -1.388 0.246 -0.156) 1.419 6.476 ( -7.158 1.342 -0.190) 7.285 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 8.925 1.798 -5.039) 10.406 0.564 ( 9.853 3.452 3.889) 11.141 0.642 ( -0.478 -2.180 0.273) 2.248 0.733 ( 0.863 -1.353 3.216) 3.594 0.758 ( -0.998 -0.084 -1.465) 1.775 0.844 ( -1.709 1.895 -0.867) 2.695 0.856 ( -1.075 0.368 -0.180) 1.150 0.915 ( 3.148 1.318 2.291) 4.110 0.957 ( 1.764 0.260 -0.864) 1.982 0.986 ( -1.990 0.384 -2.064) 2.892 1.019 ( 0.090 1.546 -2.076) 2.590 1.045 ( 2.206 0.705 1.115) 2.570 1.078 ( -1.392 0.084 0.988) 1.709 1.123 ( 1.568 0.547 0.060) 1.661 1.145 ( 1.104 -0.726 1.096) 1.717 1.149 ( 0.063 -1.118 0.006) 1.120 1.179 ( 2.369 0.219 1.274) 2.698 1.220 ( -0.033 -0.216 2.460) 2.469 1.248 ( 5.824 2.148 -2.223) 6.594 1.272 ( 3.609 -1.146 -2.021) 4.293 1.341 ( 1.834 -1.128 1.318) 2.524 1.397 ( 3.960 0.751 -0.673) 4.086 1.516 ( 2.983 -3.016 0.893) 4.335 1.574 ( 2.185 1.300 -0.645) 2.623 1.586 ( 1.220 -6.039 0.283) 6.168 1.664 ( -1.859 -6.101 0.868) 6.437 1.791 ( 1.160 -2.957 -4.125) 5.206 1.849 ( 0.970 0.168 -2.656) 2.832 1.900 ( -1.968 0.178 1.725) 2.623 1.920 ( -1.024 -1.878 2.293) 3.136 1.932 ( -2.182 1.687 -0.292) 2.774 1.986 ( -1.821 0.644 -2.560) 3.207 2.008 ( 1.498 3.829 0.019) 4.112 2.051 ( -1.629 1.592 0.594) 2.354 2.066 ( -0.712 2.298 0.241) 2.418 2.171 ( -1.273 1.298 -1.264) 2.214 2.214 ( 2.098 0.802 1.131) 2.515 2.261 ( 0.002 1.317 0.002) 1.317 2.322 ( -0.496 -2.801 2.819) 4.005 2.400 ( -0.797 -2.330 2.404) 3.442 2.479 ( -1.134 -0.467 0.253) 1.252 2.499 ( 1.262 0.982 0.439) 1.658 2.538 ( 0.868 2.139 -1.585) 2.800 2.607 ( -2.715 0.837 -1.258) 3.107 2.692 ( -0.929 1.843 -0.113) 2.067 2.775 ( -3.776 1.795 -0.987) 4.296 2.964 ( -0.706 -1.215 3.318) 3.603 3.053 ( -1.467 -5.710 -2.927) 6.582 3.086 ( 0.805 -0.821 2.724) 2.957 3.142 ( -2.346 -2.787 -0.176) 3.648 3.166 ( 0.259 -1.487 -1.864) 2.398 3.288 ( -0.208 0.953 1.300) 1.625 3.382 ( 1.242 -3.419 0.832) 3.731 3.403 ( 1.380 -4.744 1.218) 5.089 3.562 ( 1.571 -0.852 -0.007) 1.787 3.614 ( -0.603 -2.793 -2.108) 3.551 3.672 ( -0.158 -5.277 -0.857) 5.348 3.729 ( -0.068 -3.055 0.577) 3.110 3.752 ( 0.488 -2.567 2.159) 3.390 3.786 ( -0.081 -0.630 1.520) 1.648 3.850 ( -4.519 -0.788 -2.560) 5.254 3.873 ( -1.501 4.667 -4.517) 6.667 3.930 ( -1.702 -0.270 1.479) 2.271 3.959 ( 2.405 0.144 1.977) 3.117 4.003 ( 0.969 -3.279 3.513) 4.902 4.026 ( -1.912 -2.349 -1.058) 3.209 4.120 ( -3.383 -3.007 -3.674) 5.830 4.137 ( -1.475 -0.270 -0.768) 1.685 4.189 ( -1.912 -0.463 -2.578) 3.243 4.216 ( 0.223 2.018 1.690) 2.642 4.289 ( 0.317 -1.975 4.447) 4.876 4.393 ( -0.057 1.554 2.964) 3.347 4.452 ( 0.319 5.009 -2.816) 5.755 4.498 ( -1.877 -0.141 -2.311) 2.981 4.529 ( -0.692 -3.177 -0.394) 3.275 4.598 ( 2.200 4.019 0.319) 4.593 4.692 ( 2.219 -0.587 1.717) 2.866 4.707 ( 0.299 1.846 -0.369) 1.906 4.796 ( 0.503 5.922 0.914) 6.013 4.863 ( 5.897 4.618 -1.424) 7.624 4.902 ( 3.201 0.483 1.025) 3.395 5.090 ( 2.994 -0.198 -1.587) 3.394 5.115 ( 2.123 0.531 0.437) 2.232 5.170 ( -0.066 2.261 0.457) 2.308 5.212 ( 2.915 -2.930 -3.631) 5.501 5.320 ( -2.503 -0.801 2.888) 3.905 5.341 ( 0.919 -0.745 -0.462) 1.270 5.693 ( -2.062 -3.870 0.668) 4.436 5.764 ( -0.458 -1.341 -0.288) 1.446 5.812 ( 1.825 -2.481 0.975) 3.231 5.897 ( 1.622 -4.325 -1.265) 4.789 6.022 ( 0.581 -0.391 4.809) 4.860 6.077 ( -0.724 1.003 -0.359) 1.288 6.146 ( -1.056 -0.190 -5.045) 5.158 6.326 ( -5.942 1.422 0.482) 6.129 6.387 ( -1.576 1.024 0.189) 1.889 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 -1.248 -0.000) 1.248 0.653 ( 0.000 -0.809 -0.000) 0.809 0.700 ( -0.000 -2.112 0.000) 2.112 0.742 ( 0.000 0.752 0.000) 0.752 0.749 ( -0.000 1.032 -0.000) 1.032 0.759 ( 0.000 -0.009 -0.000) 0.009 0.838 ( -0.000 2.567 -0.000) 2.567 0.942 ( -0.000 1.618 0.000) 1.618 0.971 ( 0.000 0.582 -0.000) 0.582 0.978 ( -0.000 -0.231 -0.000) 0.231 1.032 ( 0.000 2.382 -0.000) 2.382 1.048 ( 0.000 -0.670 -0.000) 0.670 1.062 ( -0.000 0.240 0.000) 0.240 1.136 ( 0.000 -1.521 -0.000) 1.521 1.137 ( -0.000 -0.165 0.000) 0.165 1.145 ( 0.000 -0.734 0.000) 0.734 1.202 ( -0.000 -2.499 -0.000) 2.499 1.217 ( 0.000 0.106 -0.000) 0.106 1.313 ( -0.000 -0.953 -0.000) 0.953 1.324 ( 0.000 -3.646 0.000) 3.646 1.374 ( 0.000 -2.306 0.000) 2.306 1.484 ( -0.000 -0.238 -0.000) 0.238 1.550 ( 0.000 2.346 -0.000) 2.346 1.590 ( 0.000 -2.025 0.000) 2.025 1.609 ( -0.000 -1.562 0.000) 1.562 1.644 ( -0.000 -3.078 -0.000) 3.078 1.763 ( 0.000 0.848 0.000) 0.848 1.857 ( 0.000 1.726 -0.000) 1.726 1.867 ( -0.000 -0.379 0.000) 0.379 1.885 ( -0.000 -3.821 -0.000) 3.821 1.933 ( 0.000 3.088 0.000) 3.088 1.954 ( -0.000 0.934 0.000) 0.934 2.028 ( -0.000 3.027 -0.000) 3.027 2.037 ( 0.000 0.843 -0.000) 0.843 2.066 ( -0.000 1.589 -0.000) 1.589 2.169 ( 0.000 -0.064 0.000) 0.064 2.251 ( -0.000 0.762 -0.000) 0.762 2.254 ( 0.000 -0.549 0.000) 0.549 2.345 ( -0.000 -1.748 0.000) 1.748 2.366 ( 0.000 -4.005 -0.000) 4.005 2.449 ( 0.000 1.789 0.000) 1.789 2.520 ( 0.000 2.326 0.000) 2.326 2.541 ( -0.000 0.274 -0.000) 0.274 2.591 ( 0.000 -0.498 -0.000) 0.498 2.683 ( 0.000 3.242 0.000) 3.242 2.732 ( 0.000 -0.244 -0.000) 0.244 2.953 ( 0.000 -1.046 0.000) 1.046 3.044 ( 0.000 -7.343 -0.000) 7.343 3.098 ( 0.000 -0.604 -0.000) 0.604 3.121 ( 0.000 -2.100 0.000) 2.100 3.166 ( 0.000 0.083 0.000) 0.083 3.282 ( 0.000 1.355 -0.000) 1.355 3.397 ( 0.000 -0.968 -0.000) 0.968 3.423 ( 0.000 -7.682 -0.000) 7.682 3.575 ( 0.000 -3.414 0.000) 3.414 3.598 ( -0.000 -2.400 -0.000) 2.400 3.673 ( -0.000 -3.941 0.000) 3.941 3.716 ( -0.000 -2.541 -0.000) 2.541 3.781 ( 0.000 2.124 0.000) 2.124 3.788 ( 0.000 -1.136 0.000) 1.136 3.795 ( 0.000 -5.086 -0.000) 5.086 3.853 ( -0.000 -2.089 -0.000) 2.089 3.911 ( 0.000 3.411 -0.000) 3.411 3.975 ( 0.000 1.425 -0.000) 1.425 4.010 ( -0.000 -3.334 0.000) 3.334 4.027 ( 0.000 -4.862 -0.000) 4.862 4.078 ( 0.000 -3.517 -0.000) 3.517 4.117 ( 0.000 0.743 0.000) 0.743 4.166 ( -0.000 0.002 0.000) 0.002 4.246 ( 0.000 -0.070 0.000) 0.070 4.283 ( 0.000 -1.594 0.000) 1.594 4.402 ( -0.000 1.983 -0.000) 1.983 4.420 ( 0.000 3.814 0.000) 3.814 4.504 ( 0.000 5.417 -0.000) 5.417 4.520 ( 0.000 -3.578 0.000) 3.578 4.629 ( 0.000 3.877 0.000) 3.877 4.704 ( 0.000 1.612 -0.000) 1.612 4.715 ( 0.000 1.689 0.000) 1.689 4.792 ( 0.000 6.781 0.000) 6.781 4.893 ( -0.000 -1.379 -0.000) 1.379 4.971 ( 0.000 5.881 -0.000) 5.881 5.108 ( 0.000 -1.603 -0.000) 1.603 5.169 ( 0.000 0.518 0.000) 0.518 5.180 ( 0.000 0.066 -0.000) 0.066 5.188 ( -0.000 -1.021 -0.000) 1.021 5.305 ( -0.000 -3.121 -0.000) 3.121 5.358 ( 0.000 0.072 0.000) 0.072 5.669 ( -0.000 -3.985 0.000) 3.985 5.756 ( -0.000 -1.529 -0.000) 1.529 5.866 ( -0.000 3.641 -0.000) 3.641 5.866 ( 0.000 -4.767 0.000) 4.767 6.031 ( -0.000 -3.936 -0.000) 3.936 6.062 ( 0.000 -1.451 -0.000) 1.451 6.204 ( 0.000 1.428 -0.000) 1.428 6.209 ( -0.000 2.376 0.000) 2.376 6.375 ( -0.000 0.176 0.000) 0.176 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.000 7.004 0.000) 7.004 0.596 ( 0.000 9.883 0.000) 9.883 0.622 ( 0.000 -2.211 0.000) 2.211 0.687 ( 0.000 1.187 0.000) 1.187 0.727 ( 0.000 -0.843 0.000) 0.843 0.859 ( 0.000 2.915 0.000) 2.915 0.861 ( 0.000 -1.179 0.000) 1.179 0.886 ( 0.000 6.844 0.000) 6.844 0.937 ( 0.000 2.813 0.000) 2.813 1.016 ( 0.000 -1.361 0.000) 1.361 1.017 ( 0.000 -2.108 0.000) 2.108 1.053 ( 0.000 -1.198 0.000) 1.198 1.059 ( 0.000 2.057 0.000) 2.057 1.059 ( 0.000 3.022 0.000) 3.022 1.117 ( 0.000 -2.129 0.000) 2.129 1.133 ( 0.000 1.498 0.000) 1.498 1.161 ( 0.000 5.958 0.000) 5.958 1.207 ( 0.000 -1.119 0.000) 1.119 1.232 ( 0.000 2.310 0.000) 2.310 1.290 ( 0.000 1.079 0.000) 1.079 1.296 ( 0.000 -5.749 0.000) 5.749 1.298 ( 0.000 4.495 0.000) 4.495 1.393 ( 0.000 -1.802 0.000) 1.802 1.429 ( 0.000 -5.417 0.000) 5.417 1.442 ( 0.000 -8.393 0.000) 8.393 1.557 ( 0.000 4.306 0.000) 4.306 1.702 ( 0.000 -1.351 0.000) 1.351 1.884 ( 0.000 -7.675 0.000) 7.675 1.894 ( 0.000 2.612 0.000) 2.612 1.937 ( 0.000 2.383 0.000) 2.383 1.970 ( 0.000 -1.383 0.000) 1.383 2.029 ( 0.000 3.361 0.000) 3.361 2.047 ( 0.000 2.707 0.000) 2.707 2.111 ( 0.000 1.130 0.000) 1.130 2.112 ( 0.000 -2.994 0.000) 2.994 2.126 ( 0.000 2.417 0.000) 2.417 2.265 ( 0.000 -5.438 0.000) 5.438 2.294 ( 0.000 -1.535 0.000) 1.535 2.321 ( 0.000 0.401 0.000) 0.401 2.397 ( 0.000 -0.173 0.000) 0.173 2.439 ( 0.000 2.529 0.000) 2.529 2.536 ( 0.000 0.068 0.000) 0.068 2.575 ( 0.000 3.369 0.000) 3.369 2.678 ( 0.000 -1.528 0.000) 1.528 2.784 ( 0.000 3.929 0.000) 3.929 2.843 ( 0.000 -4.341 0.000) 4.341 2.882 ( 0.000 -8.881 0.000) 8.881 2.995 ( 0.000 -1.726 0.000) 1.726 3.025 ( 0.000 -4.454 0.000) 4.454 3.113 ( 0.000 -6.114 0.000) 6.114 3.144 ( 0.000 3.735 0.000) 3.735 3.313 ( 0.000 -1.221 0.000) 1.221 3.325 ( 0.000 2.835 0.000) 2.835 3.505 ( 0.000 -1.238 0.000) 1.238 3.512 ( 0.000 -1.715 0.000) 1.715 3.537 ( 0.000 2.593 0.000) 2.593 3.621 ( 0.000 -2.009 0.000) 2.009 3.687 ( 0.000 -4.005 0.000) 4.005 3.695 ( 0.000 -2.178 0.000) 2.178 3.771 ( 0.000 0.243 0.000) 0.243 3.884 ( 0.000 -5.342 0.000) 5.342 3.937 ( 0.000 -0.167 0.000) 0.167 3.981 ( 0.000 2.177 0.000) 2.177 4.003 ( 0.000 2.652 0.000) 2.652 4.060 ( 0.000 4.298 0.000) 4.298 4.113 ( 0.000 -0.629 0.000) 0.629 4.186 ( 0.000 4.973 0.000) 4.973 4.193 ( 0.000 -0.215 0.000) 0.215 4.238 ( 0.000 -2.700 0.000) 2.700 4.246 ( 0.000 -5.005 0.000) 5.005 4.314 ( 0.000 -4.674 0.000) 4.674 4.348 ( 0.000 1.556 0.000) 1.556 4.416 ( 0.000 4.097 0.000) 4.097 4.457 ( 0.000 -1.283 0.000) 1.283 4.487 ( 0.000 0.174 0.000) 0.174 4.555 ( 0.000 -2.519 0.000) 2.519 4.636 ( 0.000 -0.898 0.000) 0.898 4.682 ( 0.000 -2.408 0.000) 2.408 4.721 ( 0.000 2.920 0.000) 2.920 4.770 ( 0.000 0.655 0.000) 0.655 4.917 ( 0.000 -0.395 0.000) 0.395 4.966 ( 0.000 3.980 0.000) 3.980 5.009 ( 0.000 3.560 0.000) 3.560 5.103 ( 0.000 2.316 0.000) 2.316 5.297 ( 0.000 0.586 0.000) 0.586 5.387 ( 0.000 2.116 0.000) 2.116 5.401 ( 0.000 2.086 0.000) 2.086 5.475 ( 0.000 -1.672 0.000) 1.672 5.701 ( 0.000 -2.808 0.000) 2.808 5.749 ( 0.000 -3.655 0.000) 3.655 5.838 ( 0.000 2.838 0.000) 2.838 6.003 ( 0.000 -5.796 0.000) 5.796 6.159 ( 0.000 6.139 0.000) 6.139 6.273 ( 0.000 4.554 0.000) 4.554 6.386 ( 0.000 -2.733 0.000) 2.733 6.466 ( 0.000 -5.228 0.000) 5.228 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 2.922 5.245 -1.080) 6.101 0.589 ( 0.054 6.191 1.959) 6.494 0.633 ( 0.850 2.356 -0.076) 2.505 0.696 ( 1.016 0.578 1.157) 1.645 0.739 ( 1.047 -0.656 -0.694) 1.417 0.865 ( 0.699 -0.490 -0.664) 1.081 0.873 ( 1.215 2.150 -0.189) 2.476 0.908 ( 2.143 3.777 0.825) 4.420 0.962 ( 1.415 2.645 0.827) 3.112 1.013 ( 0.082 -0.970 0.215) 0.997 1.036 ( -1.173 -1.771 -2.077) 2.971 1.055 ( 0.612 -1.044 -0.427) 1.283 1.058 ( 1.004 1.120 0.833) 1.720 1.083 ( 2.102 1.277 -0.015) 2.459 1.118 ( -0.966 0.834 -0.365) 1.327 1.141 ( 1.936 -1.508 2.096) 3.227 1.170 ( 0.584 2.253 1.416) 2.724 1.198 ( -0.626 -0.340 -0.804) 1.075 1.246 ( -0.657 0.608 1.226) 1.519 1.258 ( -0.235 -1.039 -3.396) 3.559 1.326 ( 1.295 1.037 1.140) 2.013 1.344 ( 3.934 0.955 -1.795) 4.428 1.377 ( 1.973 1.803 3.104) 4.096 1.436 ( 0.691 -4.440 0.919) 4.586 1.482 ( 3.501 -7.073 -0.197) 7.894 1.592 ( 3.044 3.418 -3.325) 5.657 1.711 ( 0.991 -1.399 -0.059) 1.716 1.876 ( -1.691 1.734 -3.713) 4.433 1.886 ( -0.009 -6.338 0.485) 6.356 1.921 ( -1.603 0.430 -0.141) 1.665 1.965 ( -0.618 1.286 2.234) 2.651 2.013 ( 0.432 1.994 0.874) 2.219 2.054 ( -0.333 1.999 -1.726) 2.662 2.088 ( -1.225 -0.803 0.900) 1.719 2.123 ( 0.025 -0.022 -0.307) 0.309 2.135 ( 0.633 -0.024 0.803) 1.023 2.239 ( -2.277 -4.768 -1.841) 5.596 2.283 ( -1.290 -1.083 1.205) 2.070 2.311 ( -1.742 0.660 -1.462) 2.368 2.381 ( -0.843 -0.743 1.475) 1.854 2.466 ( 1.998 1.641 1.149) 2.830 2.519 ( -1.191 1.316 2.052) 2.713 2.583 ( 0.494 2.022 -2.583) 3.317 2.664 ( -1.483 -0.832 -0.551) 1.788 2.781 ( -0.313 4.613 -1.823) 4.970 2.815 ( -1.634 -3.834 -2.712) 4.972 2.903 ( 0.932 -7.554 3.213) 8.262 2.988 ( 0.139 -1.034 3.310) 3.470 3.045 ( 0.903 -4.612 -3.798) 6.042 3.088 ( -4.115 -2.166 1.655) 4.936 3.137 ( 0.444 -0.930 1.071) 1.486 3.279 ( -3.041 -2.411 2.773) 4.770 3.320 ( -0.433 2.867 -0.252) 2.911 3.440 ( -2.886 2.098 -0.412) 3.592 3.497 ( 0.345 -0.890 -1.165) 1.506 3.559 ( 0.647 -0.773 0.945) 1.382 3.631 ( 0.141 -4.061 1.540) 4.345 3.667 ( -1.600 -0.681 1.544) 2.326 3.716 ( -0.576 -3.112 1.336) 3.435 3.752 ( -0.307 -0.767 -2.735) 2.857 3.851 ( -1.996 -2.535 -1.689) 3.642 3.914 ( -3.349 -0.894 -1.637) 3.833 3.942 ( -0.990 -2.732 1.219) 3.152 4.029 ( -2.761 0.010 0.194) 2.768 4.048 ( -3.724 0.416 -0.057) 3.747 4.059 ( -1.645 4.767 -0.085) 5.044 4.124 ( -5.991 -2.260 -1.585) 6.596 4.162 ( -2.469 -0.448 1.283) 2.818 4.205 ( -1.095 0.727 -1.305) 1.852 4.213 ( 0.810 -0.172 -1.290) 1.533 4.334 ( -0.290 2.613 2.008) 3.308 4.371 ( 1.659 -1.732 0.236) 2.410 4.441 ( 6.658 0.137 2.106) 6.985 4.508 ( 0.271 -1.351 1.573) 2.091 4.527 ( 0.266 0.543 0.127) 0.617 4.593 ( 4.295 0.299 -1.762) 4.651 4.644 ( -2.155 -0.495 3.997) 4.568 4.694 ( 5.357 0.340 0.290) 5.375 4.800 ( 3.986 0.393 -0.147) 4.008 4.818 ( 6.953 1.631 -2.082) 7.439 4.949 ( 2.915 2.857 0.478) 4.109 4.986 ( 1.891 3.552 -2.755) 4.877 5.009 ( 1.387 -1.243 -4.418) 4.794 5.163 ( 4.809 2.087 0.303) 5.251 5.300 ( 0.091 2.697 -0.298) 2.715 5.344 ( -3.749 1.787 1.643) 4.466 5.382 ( -3.121 1.716 -0.850) 3.662 5.528 ( 4.344 -7.093 0.970) 8.374 5.681 ( -0.641 -1.797 0.389) 1.947 5.752 ( 0.102 -3.349 0.446) 3.380 5.843 ( 0.698 2.530 -0.260) 2.637 5.998 ( -0.911 -5.127 2.516) 5.783 6.150 ( -0.672 5.240 -2.477) 5.835 6.247 ( -2.734 4.298 0.164) 5.097 6.364 ( -2.192 -3.002 -0.097) 3.718 6.435 ( -2.823 -3.506 0.029) 4.502 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 1.240 1.464 -1.689) 2.556 0.624 ( 1.981 -0.332 1.010) 2.249 0.656 ( 1.979 4.014 0.634) 4.520 0.714 ( 1.054 0.728 1.569) 2.025 0.766 ( 1.815 1.926 0.051) 2.647 0.874 ( -2.062 1.778 -1.592) 3.154 0.890 ( 1.605 1.040 -0.415) 1.957 0.953 ( 2.098 1.750 0.844) 2.860 0.973 ( -0.004 1.074 0.136) 1.082 1.001 ( -1.019 1.013 0.978) 1.738 1.028 ( 1.274 -0.271 -1.457) 1.954 1.049 ( -0.460 0.150 -0.354) 0.600 1.078 ( 0.069 -0.080 0.873) 0.880 1.103 ( -0.519 -0.371 -0.689) 0.939 1.121 ( 1.145 -0.333 -0.697) 1.381 1.170 ( 1.023 -0.975 1.758) 2.256 1.176 ( -0.146 1.402 1.655) 2.174 1.189 ( -0.138 -2.941 0.819) 3.056 1.234 ( 0.007 -2.527 0.417) 2.561 1.279 ( 1.666 1.359 -1.648) 2.709 1.296 ( -1.622 -3.439 0.001) 3.803 1.400 ( 1.773 -3.793 0.011) 4.187 1.453 ( 1.592 -3.066 -0.329) 3.471 1.507 ( 3.907 -1.986 1.257) 4.559 1.582 ( 9.199 5.284 -0.017) 10.608 1.653 ( 3.155 3.318 -2.719) 5.325 1.743 ( 2.202 -1.584 -1.583) 3.140 1.838 ( -1.866 -1.027 -2.037) 2.947 1.881 ( -1.502 -2.674 3.702) 4.807 1.886 ( -1.166 -1.272 -2.378) 2.938 1.956 ( 0.075 1.657 1.349) 2.138 2.023 ( -1.308 2.309 -2.992) 3.999 2.059 ( 1.766 0.710 1.005) 2.152 2.069 ( -0.863 -1.082 3.491) 3.755 2.093 ( -2.088 2.322 -2.380) 3.927 2.161 ( 1.141 -4.278 2.373) 5.023 2.205 ( 0.091 -1.666 -2.028) 2.626 2.244 ( -2.910 -0.430 0.421) 2.971 2.265 ( -2.103 -1.963 -1.403) 3.201 2.354 ( -2.400 -2.023 1.268) 3.385 2.498 ( 0.718 1.802 0.776) 2.090 2.518 ( 1.767 1.347 1.671) 2.780 2.584 ( -0.413 1.341 -1.692) 2.198 2.626 ( -2.273 0.656 -0.740) 2.479 2.769 ( -1.227 4.245 -5.632) 7.159 2.787 ( -1.319 0.438 1.605) 2.123 2.912 ( 0.219 -4.009 2.513) 4.737 2.969 ( -4.172 -1.474 -0.037) 4.425 3.021 ( 0.974 -3.796 5.629) 6.859 3.054 ( -0.135 -5.819 -3.445) 6.764 3.139 ( -0.330 -0.412 -0.084) 0.535 3.271 ( 0.706 -4.192 1.906) 4.659 3.307 ( -0.107 1.572 1.366) 2.086 3.396 ( -1.817 -0.530 0.070) 1.894 3.531 ( 2.113 -1.325 0.024) 2.494 3.556 ( -0.996 -1.557 0.643) 1.957 3.621 ( 0.824 -2.242 -3.009) 3.842 3.648 ( -1.529 -0.885 3.170) 3.629 3.682 ( -1.990 -2.773 0.662) 3.477 3.743 ( -1.259 -2.313 -0.456) 2.673 3.811 ( -2.625 -2.559 -2.002) 4.177 3.876 ( 0.189 -3.814 -0.753) 3.892 3.901 ( -2.811 0.928 0.168) 2.965 3.956 ( -3.052 -2.535 -0.568) 4.008 3.977 ( -1.722 -2.664 -1.547) 3.529 4.018 ( -2.960 -0.981 0.170) 3.123 4.055 ( -1.485 2.323 -2.489) 3.714 4.150 ( -0.283 1.401 2.936) 3.265 4.184 ( -0.986 0.299 0.867) 1.347 4.233 ( 0.526 -1.849 -1.239) 2.287 4.303 ( -1.611 3.687 1.091) 4.168 4.412 ( 0.977 -1.198 3.791) 4.094 4.493 ( -0.662 0.626 -4.014) 4.116 4.518 ( 0.235 3.787 0.271) 3.804 4.581 ( 6.724 1.232 1.747) 7.056 4.613 ( -1.039 1.113 3.033) 3.394 4.686 ( 4.831 0.641 0.234) 4.879 4.768 ( 2.243 0.280 -2.033) 3.040 4.869 ( 2.701 4.190 1.260) 5.142 4.948 ( 5.248 2.415 -1.296) 5.921 5.010 ( 3.505 6.629 -2.447) 7.888 5.024 ( 1.397 -3.556 0.846) 3.913 5.074 ( 5.227 -2.544 -3.814) 6.952 5.214 ( -3.704 2.082 -0.265) 4.257 5.257 ( -3.132 3.281 1.369) 4.738 5.306 ( 0.750 -0.185 -0.213) 0.801 5.319 ( -1.252 -0.737 -0.567) 1.559 5.549 ( -1.884 -8.547 1.359) 8.857 5.731 ( 4.756 -2.001 -0.190) 5.164 5.753 ( 0.070 -0.853 -0.370) 0.932 5.870 ( 1.846 0.010 0.115) 1.849 5.962 ( -2.404 -3.898 3.397) 5.702 6.147 ( -0.470 4.018 -1.387) 4.276 6.180 ( -2.432 2.778 -1.475) 3.977 6.312 ( -3.316 -1.716 0.483) 3.765 6.379 ( -2.639 -2.006 0.005) 3.315 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 -1.280 -0.000) 1.280 0.645 ( 0.000 -2.605 -0.000) 2.605 0.665 ( -0.000 1.871 0.000) 1.871 0.750 ( -0.000 -0.852 -0.000) 0.852 0.808 ( 0.000 4.956 0.000) 4.956 0.810 ( -0.000 3.713 -0.000) 3.713 0.912 ( 0.000 4.018 -0.000) 4.018 0.954 ( -0.000 -1.994 -0.000) 1.994 0.987 ( 0.000 0.807 0.000) 0.807 0.993 ( -0.000 2.698 0.000) 2.698 1.042 ( 0.000 -0.492 -0.000) 0.492 1.060 ( -0.000 0.812 -0.000) 0.812 1.068 ( 0.000 0.777 0.000) 0.777 1.097 ( 0.000 -1.238 -0.000) 1.238 1.125 ( -0.000 0.231 -0.000) 0.231 1.169 ( 0.000 0.402 0.000) 0.402 1.178 ( 0.000 -0.613 0.000) 0.613 1.195 ( -0.000 -3.116 -0.000) 3.116 1.248 ( -0.000 -4.568 -0.000) 4.568 1.260 ( 0.000 -1.183 0.000) 1.183 1.308 ( 0.000 -2.394 -0.000) 2.394 1.416 ( -0.000 -3.732 -0.000) 3.732 1.471 ( 0.000 -3.277 0.000) 3.277 1.534 ( 0.000 -3.787 -0.000) 3.787 1.688 ( -0.000 4.783 0.000) 4.783 1.713 ( -0.000 5.037 -0.000) 5.037 1.791 ( -0.000 0.314 0.000) 0.314 1.800 ( 0.000 -3.076 -0.000) 3.076 1.847 ( 0.000 -1.686 -0.000) 1.686 1.872 ( 0.000 0.170 0.000) 0.170 1.971 ( 0.000 1.165 0.000) 1.165 1.992 ( -0.000 2.203 -0.000) 2.203 2.049 ( 0.000 0.047 0.000) 0.047 2.058 ( -0.000 -0.410 -0.000) 0.410 2.105 ( 0.000 3.097 -0.000) 3.097 2.174 ( 0.000 -5.464 0.000) 5.464 2.183 ( 0.000 1.226 0.000) 1.226 2.243 ( 0.000 -2.256 0.000) 2.256 2.253 ( 0.000 -4.457 -0.000) 4.457 2.306 ( -0.000 -2.063 -0.000) 2.063 2.504 ( 0.000 2.423 0.000) 2.423 2.549 ( 0.000 -0.140 0.000) 0.140 2.577 ( 0.000 2.377 -0.000) 2.377 2.596 ( -0.000 1.080 -0.000) 1.080 2.742 ( 0.000 1.677 0.000) 1.677 2.778 ( 0.000 5.236 -0.000) 5.236 2.916 ( 0.000 -3.758 0.000) 3.758 2.925 ( 0.000 -1.909 -0.000) 1.909 3.044 ( 0.000 -6.753 0.000) 6.753 3.049 ( -0.000 -3.902 -0.000) 3.902 3.132 ( 0.000 -0.757 0.000) 0.757 3.259 ( 0.000 -3.626 -0.000) 3.626 3.331 ( 0.000 -0.960 0.000) 0.960 3.374 ( 0.000 -0.824 -0.000) 0.824 3.539 ( 0.000 -0.114 -0.000) 0.114 3.557 ( 0.000 -0.891 0.000) 0.891 3.617 ( 0.000 -1.065 0.000) 1.065 3.641 ( -0.000 -3.551 0.000) 3.551 3.680 ( 0.000 -4.113 -0.000) 4.113 3.703 ( -0.000 -2.483 0.000) 2.483 3.801 ( 0.000 -2.324 0.000) 2.324 3.857 ( 0.000 3.325 0.000) 3.325 3.885 ( 0.000 -5.908 -0.000) 5.908 3.929 ( -0.000 -3.511 -0.000) 3.511 3.963 ( 0.000 -2.650 -0.000) 2.650 4.002 ( 0.000 -3.421 0.000) 3.421 4.030 ( 0.000 4.955 0.000) 4.955 4.152 ( 0.000 1.693 0.000) 1.693 4.164 ( 0.000 0.236 -0.000) 0.236 4.235 ( -0.000 -3.213 0.000) 3.213 4.290 ( 0.000 3.498 -0.000) 3.498 4.411 ( -0.000 -2.815 -0.000) 2.815 4.506 ( -0.000 4.284 0.000) 4.284 4.512 ( 0.000 3.605 -0.000) 3.605 4.602 ( 0.000 4.266 0.000) 4.266 4.655 ( 0.000 0.431 -0.000) 0.431 4.745 ( -0.000 -0.932 0.000) 0.932 4.788 ( -0.000 2.579 -0.000) 2.579 4.892 ( 0.000 4.802 0.000) 4.802 4.995 ( 0.000 9.903 0.000) 9.903 5.032 ( 0.000 -4.102 -0.000) 4.102 5.085 ( -0.000 3.185 -0.000) 3.185 5.121 ( 0.000 -3.720 -0.000) 3.720 5.149 ( 0.000 -1.288 0.000) 1.288 5.200 ( 0.000 -0.512 -0.000) 0.512 5.286 ( 0.000 1.696 0.000) 1.696 5.362 ( 0.000 0.091 0.000) 0.091 5.515 ( -0.000 -9.618 -0.000) 9.618 5.754 ( 0.000 0.686 0.000) 0.686 5.787 ( 0.000 -2.155 0.000) 2.155 5.889 ( 0.000 -0.975 -0.000) 0.975 5.938 ( 0.000 -4.139 -0.000) 4.139 6.107 ( 0.000 4.850 -0.000) 4.850 6.218 ( -0.000 -0.098 0.000) 0.098 6.243 ( 0.000 1.140 -0.000) 1.140 6.353 ( -0.000 -2.426 0.000) 2.426 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 -1.811 0.000) 1.811 0.584 ( 0.000 1.811 0.000) 1.811 0.701 ( 0.000 -1.607 0.000) 1.607 0.701 ( 0.000 1.607 0.000) 1.607 0.782 ( 0.000 -5.769 0.000) 5.769 0.782 ( 0.000 5.769 0.000) 5.769 0.943 ( 0.000 -3.276 0.000) 3.276 0.943 ( 0.000 3.276 0.000) 3.276 0.999 ( 0.000 -0.315 0.000) 0.315 0.999 ( 0.000 0.315 0.000) 0.315 1.013 ( 0.000 -3.875 0.000) 3.875 1.013 ( 0.000 3.875 0.000) 3.875 1.069 ( 0.000 -4.071 0.000) 4.071 1.069 ( 0.000 4.071 0.000) 4.071 1.107 ( 0.000 -0.124 0.000) 0.124 1.107 ( 0.000 0.124 0.000) 0.124 1.206 ( 0.000 -0.597 0.000) 0.597 1.206 ( 0.000 0.597 0.000) 0.597 1.223 ( 0.000 -1.046 0.000) 1.046 1.223 ( 0.000 1.046 0.000) 1.046 1.323 ( 0.000 -2.121 0.000) 2.121 1.323 ( 0.000 2.121 0.000) 2.121 1.349 ( 0.000 -2.476 0.000) 2.476 1.349 ( 0.000 2.476 0.000) 2.476 1.628 ( 0.000 -13.489 0.000) 13.489 1.628 ( 0.000 13.489 0.000) 13.489 1.659 ( 0.000 -5.706 0.000) 5.706 1.659 ( 0.000 5.706 0.000) 5.706 1.928 ( 0.000 -1.672 0.000) 1.672 1.928 ( 0.000 1.672 0.000) 1.672 2.023 ( 0.000 -4.729 0.000) 4.729 2.023 ( 0.000 4.729 0.000) 4.729 2.073 ( 0.000 -0.521 0.000) 0.521 2.073 ( 0.000 0.521 0.000) 0.521 2.152 ( 0.000 -2.405 0.000) 2.405 2.152 ( 0.000 2.405 0.000) 2.405 2.210 ( 0.000 -3.005 0.000) 3.005 2.210 ( 0.000 3.005 0.000) 3.005 2.374 ( 0.000 -2.211 0.000) 2.211 2.374 ( 0.000 2.211 0.000) 2.211 2.497 ( 0.000 -2.773 0.000) 2.773 2.497 ( 0.000 2.773 0.000) 2.773 2.645 ( 0.000 -2.307 0.000) 2.307 2.645 ( 0.000 2.307 0.000) 2.307 2.776 ( 0.000 -0.358 0.000) 0.358 2.776 ( 0.000 0.358 0.000) 0.358 2.897 ( 0.000 -5.993 0.000) 5.993 2.897 ( 0.000 5.993 0.000) 5.993 3.014 ( 0.000 -3.326 0.000) 3.326 3.014 ( 0.000 3.326 0.000) 3.326 3.239 ( 0.000 -4.391 0.000) 4.391 3.239 ( 0.000 4.391 0.000) 4.391 3.437 ( 0.000 -5.288 0.000) 5.288 3.437 ( 0.000 5.288 0.000) 5.288 3.540 ( 0.000 -3.338 0.000) 3.338 3.540 ( 0.000 3.338 0.000) 3.338 3.648 ( 0.000 -5.240 0.000) 5.240 3.648 ( 0.000 5.240 0.000) 5.240 3.664 ( 0.000 -2.775 0.000) 2.775 3.664 ( 0.000 2.775 0.000) 2.775 3.885 ( 0.000 -2.926 0.000) 2.926 3.885 ( 0.000 2.926 0.000) 2.926 4.040 ( 0.000 -1.963 0.000) 1.963 4.040 ( 0.000 1.963 0.000) 1.963 4.099 ( 0.000 -1.440 0.000) 1.440 4.099 ( 0.000 1.440 0.000) 1.440 4.183 ( 0.000 -0.869 0.000) 0.869 4.183 ( 0.000 0.869 0.000) 0.869 4.212 ( 0.000 -2.295 0.000) 2.295 4.212 ( 0.000 2.295 0.000) 2.295 4.361 ( 0.000 -3.224 0.000) 3.224 4.361 ( 0.000 3.224 0.000) 3.224 4.436 ( 0.000 -2.143 0.000) 2.143 4.436 ( 0.000 2.143 0.000) 2.143 4.498 ( 0.000 -0.138 0.000) 0.138 4.498 ( 0.000 0.138 0.000) 0.138 4.625 ( 0.000 -1.222 0.000) 1.222 4.625 ( 0.000 1.222 0.000) 1.222 4.770 ( 0.000 -1.231 0.000) 1.231 4.770 ( 0.000 1.231 0.000) 1.231 4.953 ( 0.000 -2.179 0.000) 2.179 4.953 ( 0.000 2.179 0.000) 2.179 5.115 ( 0.000 -1.769 0.000) 1.769 5.115 ( 0.000 1.769 0.000) 1.769 5.353 ( 0.000 -5.073 0.000) 5.073 5.353 ( 0.000 5.073 0.000) 5.073 5.438 ( 0.000 -1.968 0.000) 1.968 5.438 ( 0.000 1.968 0.000) 1.968 5.687 ( 0.000 -1.688 0.000) 1.688 5.687 ( 0.000 1.688 0.000) 1.688 5.905 ( 0.000 -3.558 0.000) 3.558 5.905 ( 0.000 3.558 0.000) 3.558 6.289 ( 0.000 -5.798 0.000) 5.798 6.289 ( 0.000 5.798 0.000) 5.798 6.366 ( 0.000 -4.287 0.000) 4.287 6.366 ( 0.000 4.287 0.000) 4.287 ======================= Grid point 23 (14/56) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.647 -1.047 0.639) 1.387 0.591 ( 0.647 1.047 0.639) 1.387 0.713 ( 0.637 -0.622 -0.426) 0.987 0.713 ( 0.637 0.622 -0.426) 0.987 0.798 ( 1.935 -5.434 0.792) 5.822 0.798 ( 1.935 5.434 0.792) 5.822 0.945 ( 0.073 -3.474 0.084) 3.476 0.945 ( 0.073 3.474 0.084) 3.476 0.983 ( -0.451 -2.704 -1.763) 3.259 0.983 ( -0.451 2.704 -1.763) 3.259 1.035 ( 1.156 -1.479 0.817) 2.047 1.035 ( 1.156 1.479 0.817) 2.047 1.082 ( 0.794 -3.596 1.365) 3.927 1.082 ( 0.794 3.596 1.365) 3.927 1.130 ( 1.531 -1.181 2.051) 2.818 1.130 ( 1.531 1.181 2.051) 2.818 1.194 ( -1.136 -3.206 -2.837) 4.429 1.194 ( -1.136 3.206 -2.837) 4.429 1.213 ( -0.465 -1.544 -0.443) 1.673 1.213 ( -0.465 1.544 -0.443) 1.673 1.318 ( 0.618 -1.643 -0.169) 1.764 1.318 ( 0.618 1.643 -0.169) 1.764 1.384 ( 2.434 -0.397 1.670) 2.978 1.384 ( 2.434 0.397 1.670) 2.978 1.644 ( 1.905 -6.580 -1.103) 6.939 1.644 ( 1.905 6.580 -1.103) 6.939 1.693 ( 3.309 -7.430 -1.025) 8.198 1.693 ( 3.309 7.430 -1.025) 8.198 1.904 ( -2.331 -1.388 -1.492) 3.096 1.904 ( -2.331 1.388 -1.492) 3.096 2.025 ( -0.408 -3.187 0.197) 3.219 2.025 ( -0.408 3.187 0.197) 3.219 2.058 ( -0.180 -1.989 3.785) 4.280 2.058 ( -0.180 1.989 3.785) 4.280 2.134 ( -1.815 -3.690 -0.412) 4.133 2.134 ( -1.815 3.690 -0.412) 4.133 2.206 ( -0.766 -4.016 -3.253) 5.225 2.206 ( -0.766 4.016 -3.253) 5.225 2.360 ( -1.654 -1.949 0.567) 2.618 2.360 ( -1.654 1.949 0.567) 2.618 2.507 ( 0.913 -1.932 0.989) 2.355 2.507 ( 0.913 1.932 0.989) 2.355 2.634 ( -0.943 -2.405 -1.357) 2.918 2.634 ( -0.943 2.405 -1.357) 2.918 2.785 ( 0.907 -2.454 0.764) 2.725 2.785 ( 0.907 2.454 0.764) 2.725 2.904 ( 0.679 -6.202 -1.160) 6.346 2.904 ( 0.679 6.202 -1.160) 6.346 3.018 ( -0.621 -2.861 0.021) 2.927 3.018 ( -0.621 2.861 0.021) 2.927 3.202 ( -2.708 -4.258 3.139) 5.942 3.202 ( -2.708 4.258 3.139) 5.942 3.412 ( -2.625 -4.146 -0.104) 4.908 3.412 ( -2.625 4.146 -0.104) 4.908 3.526 ( -0.882 -3.476 0.106) 3.588 3.526 ( -0.882 3.476 0.106) 3.588 3.624 ( -1.012 -4.450 0.140) 4.566 3.624 ( -1.012 4.450 0.140) 4.566 3.695 ( 1.688 -2.368 0.929) 3.053 3.695 ( 1.688 2.368 0.929) 3.053 3.861 ( -2.729 -2.918 -1.223) 4.179 3.861 ( -2.729 2.918 -1.223) 4.179 3.963 ( -4.050 -3.487 -2.147) 5.760 3.963 ( -4.050 3.487 -2.147) 5.760 4.076 ( -6.804 -1.425 0.080) 6.952 4.076 ( -6.804 1.425 0.080) 6.952 4.153 ( 0.156 -2.626 0.495) 2.677 4.153 ( 0.156 2.626 0.495) 2.677 4.204 ( -0.749 -1.687 -0.091) 1.848 4.204 ( -0.749 1.687 -0.091) 1.848 4.395 ( 1.612 -2.416 3.543) 4.582 4.395 ( 1.612 2.416 3.543) 4.582 4.430 ( 3.324 -4.718 -1.643) 6.000 4.430 ( 3.324 4.718 -1.643) 6.000 4.570 ( 2.113 -2.239 0.010) 3.078 4.570 ( 2.113 2.239 0.010) 3.078 4.661 ( 4.091 -2.155 2.888) 5.452 4.661 ( 4.091 2.155 2.888) 5.452 4.825 ( 5.737 -0.984 -0.856) 5.884 4.825 ( 5.737 0.984 -0.856) 5.884 4.962 ( 1.217 -1.941 -3.821) 4.455 4.962 ( 1.217 1.941 -3.821) 4.455 5.146 ( 2.670 -4.719 -0.758) 5.475 5.146 ( 2.670 4.719 -0.758) 5.475 5.371 ( 0.172 -5.461 0.114) 5.465 5.371 ( 0.172 5.461 0.114) 5.465 5.395 ( -3.120 -0.819 0.488) 3.263 5.395 ( -3.120 0.819 0.488) 3.263 5.687 ( 0.539 -2.181 0.501) 2.302 5.687 ( 0.539 2.181 0.501) 2.302 5.906 ( -0.141 -3.464 0.706) 3.538 5.906 ( -0.141 3.464 0.706) 3.538 6.259 ( -2.736 -4.653 -0.580) 5.429 6.259 ( -2.736 4.653 -0.580) 5.429 6.353 ( -1.371 -3.875 0.174) 4.114 6.353 ( -1.371 3.875 0.174) 4.114 ======================= Grid point 25 (15/56) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.045 -1.355 0.845) 1.597 0.599 ( 0.045 1.355 0.845) 1.597 0.715 ( -0.085 -1.372 -0.963) 1.678 0.715 ( -0.085 1.372 -0.963) 1.678 0.852 ( 3.075 -4.231 1.392) 5.413 0.852 ( 3.075 4.231 1.392) 5.413 0.931 ( -1.072 -3.079 -1.303) 3.511 0.931 ( -1.072 3.079 -1.303) 3.511 1.009 ( 2.536 -1.820 -0.197) 3.128 1.009 ( 2.536 1.820 -0.197) 3.128 1.048 ( 0.504 -2.823 0.200) 2.874 1.048 ( 0.504 2.823 0.200) 2.874 1.087 ( -0.389 -3.586 1.152) 3.786 1.087 ( -0.389 3.586 1.152) 3.786 1.129 ( -1.007 -1.663 -0.353) 1.976 1.129 ( -1.007 1.663 -0.353) 1.976 1.183 ( -0.268 -2.304 0.200) 2.328 1.183 ( -0.268 2.304 0.200) 2.328 1.206 ( -0.715 -1.993 0.448) 2.165 1.206 ( -0.715 1.993 0.448) 2.165 1.337 ( 1.079 -2.706 -0.635) 2.981 1.337 ( 1.079 2.706 -0.635) 2.981 1.433 ( 2.362 -2.050 1.005) 3.285 1.433 ( 2.362 2.050 1.005) 3.285 1.700 ( 3.693 -2.013 -2.894) 5.105 1.700 ( 3.693 2.013 -2.894) 5.105 1.768 ( 3.709 -6.497 0.358) 7.489 1.768 ( 3.709 6.497 0.358) 7.489 1.853 ( -2.512 -1.468 -0.989) 3.073 1.853 ( -2.512 1.468 -0.989) 3.073 2.010 ( -0.320 -3.230 2.253) 3.951 2.010 ( -0.320 3.230 2.253) 3.951 2.073 ( -1.305 -2.010 -0.488) 2.446 2.073 ( -1.305 2.010 -0.488) 2.446 2.105 ( 1.387 -3.070 0.488) 3.404 2.105 ( 1.387 3.070 0.488) 3.404 2.183 ( -1.181 -3.507 -1.271) 3.913 2.183 ( -1.181 3.507 -1.271) 3.913 2.309 ( -3.659 -2.736 -0.242) 4.575 2.309 ( -3.659 2.736 -0.242) 4.575 2.526 ( 1.009 -0.812 0.900) 1.578 2.526 ( 1.009 0.812 0.900) 1.578 2.618 ( -0.691 -1.550 -1.195) 2.076 2.618 ( -0.691 1.550 -1.195) 2.076 2.806 ( 1.117 -3.720 0.679) 3.943 2.806 ( 1.117 3.720 0.679) 3.943 2.913 ( -0.412 -6.378 -4.730) 7.951 2.913 ( -0.412 6.378 -4.730) 7.951 2.968 ( -3.041 -1.079 4.253) 5.338 2.968 ( -3.041 1.079 4.253) 5.338 3.179 ( -0.362 -3.850 2.334) 4.516 3.179 ( -0.362 3.850 2.334) 4.516 3.359 ( -1.840 -2.636 0.357) 3.235 3.359 ( -1.840 2.636 0.357) 3.235 3.528 ( 0.947 -1.278 0.422) 1.645 3.528 ( 0.947 1.278 0.422) 1.645 3.611 ( -0.718 -2.444 0.001) 2.548 3.611 ( -0.718 2.444 0.001) 2.548 3.699 ( -1.638 -2.279 -0.032) 2.806 3.699 ( -1.638 2.279 -0.032) 2.806 3.805 ( -1.994 -2.560 -0.488) 3.281 3.805 ( -1.994 2.560 -0.488) 3.281 3.915 ( -1.229 -1.895 -1.086) 2.506 3.915 ( -1.229 1.895 -1.086) 2.506 3.963 ( -3.969 -2.256 -1.847) 4.924 3.963 ( -3.969 2.256 -1.847) 4.924 4.147 ( -0.832 -4.029 1.007) 4.236 4.147 ( -0.832 4.029 1.007) 4.236 4.185 ( -1.017 -0.595 -0.181) 1.192 4.185 ( -1.017 0.595 -0.181) 1.192 4.381 ( -1.925 -2.441 2.687) 4.109 4.381 ( -1.925 2.441 2.687) 4.109 4.513 ( 3.776 -1.827 -0.065) 4.195 4.513 ( 3.776 1.827 -0.065) 4.195 4.637 ( 4.899 -2.502 0.478) 5.521 4.637 ( 4.899 2.502 0.478) 5.521 4.717 ( 1.711 -3.916 0.331) 4.286 4.717 ( 1.711 3.916 0.331) 4.286 4.948 ( 5.933 -2.119 -0.134) 6.301 4.948 ( 5.933 2.119 -0.134) 6.301 4.997 ( 2.251 -2.467 -2.777) 4.343 4.997 ( 2.251 2.467 -2.777) 4.343 5.200 ( 2.405 -6.486 -0.779) 6.961 5.200 ( 2.405 6.486 -0.779) 6.961 5.274 ( -6.000 -0.505 -0.144) 6.023 5.274 ( -6.000 0.505 -0.144) 6.023 5.387 ( -1.466 -5.518 0.359) 5.721 5.387 ( -1.466 5.518 0.359) 5.721 5.727 ( 3.264 -1.099 -0.201) 3.450 5.727 ( 3.264 1.099 -0.201) 3.450 5.893 ( -1.100 -2.224 1.782) 3.055 5.893 ( -1.100 2.224 1.782) 3.055 6.210 ( -1.815 -1.541 -0.961) 2.567 6.210 ( -1.815 1.541 -0.961) 2.567 6.316 ( -2.459 -3.007 0.282) 3.895 6.316 ( -2.459 3.007 0.282) 3.895 ======================= Grid point 27 (16/56) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 -1.761 -0.000) 1.761 0.597 ( 0.000 1.761 -0.000) 1.761 0.715 ( 0.000 -2.318 -0.000) 2.318 0.715 ( 0.000 2.318 -0.000) 2.318 0.888 ( 0.000 -3.569 0.000) 3.569 0.888 ( 0.000 3.569 0.000) 3.569 0.917 ( 0.000 -3.843 0.000) 3.843 0.917 ( 0.000 3.843 0.000) 3.843 1.039 ( 0.000 -0.187 0.000) 0.187 1.039 ( 0.000 0.187 0.000) 0.187 1.063 ( -0.000 -6.217 -0.000) 6.217 1.063 ( -0.000 6.217 -0.000) 6.217 1.077 ( 0.000 -1.382 -0.000) 1.382 1.077 ( 0.000 1.382 -0.000) 1.382 1.114 ( 0.000 -2.016 0.000) 2.016 1.114 ( 0.000 2.016 0.000) 2.016 1.182 ( 0.000 -0.965 0.000) 0.965 1.182 ( 0.000 0.965 0.000) 0.965 1.190 ( 0.000 -1.764 -0.000) 1.764 1.190 ( 0.000 1.764 -0.000) 1.764 1.350 ( 0.000 -3.093 -0.000) 3.093 1.350 ( 0.000 3.093 -0.000) 3.093 1.457 ( 0.000 -2.191 -0.000) 2.191 1.457 ( 0.000 2.191 0.000) 2.191 1.755 ( 0.000 -1.530 -0.000) 1.530 1.755 ( 0.000 1.530 -0.000) 1.530 1.783 ( 0.000 -0.033 0.000) 0.033 1.783 ( 0.000 0.033 0.000) 0.033 1.841 ( -0.000 -2.628 -0.000) 2.628 1.841 ( 0.000 2.628 -0.000) 2.628 2.023 ( 0.000 -2.915 -0.000) 2.915 2.023 ( 0.000 2.915 -0.000) 2.915 2.030 ( 0.000 -0.810 0.000) 0.810 2.030 ( 0.000 0.810 0.000) 0.810 2.137 ( 0.000 -3.966 -0.000) 3.966 2.137 ( 0.000 3.966 0.000) 3.966 2.188 ( 0.000 -3.646 0.000) 3.646 2.188 ( 0.000 3.646 0.000) 3.646 2.248 ( 0.000 -3.174 -0.000) 3.174 2.248 ( 0.000 3.174 -0.000) 3.174 2.538 ( 0.000 -0.864 0.000) 0.864 2.538 ( 0.000 0.864 0.000) 0.864 2.610 ( 0.000 -0.381 0.000) 0.381 2.610 ( 0.000 0.381 0.000) 0.381 2.819 ( 0.000 -4.664 -0.000) 4.664 2.819 ( 0.000 4.664 -0.000) 4.664 2.890 ( 0.000 -0.666 -0.000) 0.666 2.890 ( 0.000 0.666 0.000) 0.666 2.951 ( 0.000 -3.384 -0.000) 3.384 2.951 ( 0.000 3.384 0.000) 3.384 3.171 ( 0.000 -3.655 0.000) 3.655 3.171 ( 0.000 3.655 0.000) 3.655 3.349 ( 0.000 -1.638 0.000) 1.638 3.349 ( 0.000 1.638 0.000) 1.638 3.542 ( 0.000 -0.456 -0.000) 0.456 3.542 ( 0.000 0.456 0.000) 0.456 3.600 ( 0.000 -0.116 -0.000) 0.116 3.600 ( 0.000 0.116 -0.000) 0.116 3.673 ( 0.000 -1.665 0.000) 1.665 3.673 ( 0.000 1.665 0.000) 1.665 3.787 ( 0.000 -2.263 -0.000) 2.263 3.787 ( 0.000 2.263 -0.000) 2.263 3.904 ( 0.000 -1.198 -0.000) 1.198 3.904 ( 0.000 1.198 -0.000) 1.198 3.931 ( 0.000 -3.018 0.000) 3.018 3.931 ( 0.000 3.018 0.000) 3.018 4.136 ( 0.000 -4.708 0.000) 4.708 4.136 ( 0.000 4.708 0.000) 4.708 4.174 ( 0.000 -0.506 -0.000) 0.506 4.174 ( 0.000 0.506 -0.000) 0.506 4.358 ( 0.000 -2.539 0.000) 2.539 4.358 ( 0.000 2.539 0.000) 2.539 4.555 ( 0.000 -0.249 -0.000) 0.249 4.555 ( 0.000 0.249 -0.000) 0.249 4.689 ( 0.000 -2.688 0.000) 2.688 4.689 ( 0.000 2.688 0.000) 2.688 4.737 ( 0.000 -6.514 -0.000) 6.514 4.737 ( -0.000 6.514 -0.000) 6.514 5.003 ( 0.000 -3.109 0.000) 3.109 5.003 ( 0.000 3.109 0.000) 3.109 5.046 ( 0.000 -1.100 -0.000) 1.100 5.046 ( 0.000 1.100 -0.000) 1.100 5.158 ( -0.000 -3.664 -0.000) 3.664 5.158 ( -0.000 3.664 0.000) 3.664 5.267 ( -0.000 -8.942 -0.000) 8.942 5.267 ( 0.000 8.942 0.000) 8.942 5.353 ( 0.000 -0.009 -0.000) 0.009 5.353 ( 0.000 0.009 -0.000) 0.009 5.766 ( 0.000 -0.396 -0.000) 0.396 5.766 ( 0.000 0.396 0.000) 0.396 5.879 ( 0.000 -0.946 -0.000) 0.946 5.879 ( 0.000 0.946 -0.000) 0.946 6.198 ( 0.000 -2.358 0.000) 2.358 6.198 ( 0.000 2.358 0.000) 2.358 6.283 ( 0.000 -3.212 -0.000) 3.212 6.283 ( 0.000 3.212 -0.000) 3.212 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( -1.684 0.000 12.015) 12.132 0.254 ( -2.803 0.000 12.687) 12.993 0.393 ( 4.328 0.000 16.374) 16.936 0.653 ( 2.358 0.000 -3.540) 4.254 0.728 ( 0.762 0.000 -1.774) 1.931 0.763 ( -1.883 0.000 1.932) 2.698 0.772 ( -1.393 0.000 -3.197) 3.488 0.798 ( -0.400 0.000 -2.633) 2.663 0.888 ( 0.365 0.000 0.602) 0.704 0.903 ( -1.121 0.000 0.174) 1.134 0.939 ( -0.412 0.000 -3.399) 3.424 1.009 ( 1.385 0.000 -1.388) 1.961 1.072 ( 0.222 0.000 -0.744) 0.776 1.120 ( -1.722 0.000 1.313) 2.165 1.123 ( 1.523 0.000 0.611) 1.641 1.161 ( -1.790 0.000 -0.340) 1.822 1.171 ( -0.819 0.000 1.751) 1.933 1.224 ( 0.857 0.000 4.723) 4.800 1.276 ( -2.980 0.000 3.619) 4.688 1.281 ( -0.220 0.000 -2.557) 2.567 1.328 ( 3.268 0.000 0.064) 3.269 1.339 ( 4.736 0.000 1.122) 4.867 1.445 ( 0.882 0.000 -8.309) 8.356 1.494 ( 0.670 0.000 -4.486) 4.536 1.546 ( -2.310 0.000 -2.479) 3.388 1.558 ( -2.575 0.000 -2.476) 3.573 1.723 ( -1.265 0.000 -5.549) 5.691 1.799 ( 4.324 0.000 -8.839) 9.840 1.862 ( -1.026 0.000 0.700) 1.242 1.874 ( -1.776 0.000 -0.750) 1.928 1.964 ( 0.652 0.000 2.912) 2.985 1.983 ( 0.135 0.000 1.267) 1.274 2.053 ( -1.005 0.000 3.880) 4.008 2.099 ( 0.144 0.000 -0.953) 0.964 2.138 ( 0.724 0.000 3.008) 3.094 2.148 ( -0.276 0.000 2.134) 2.152 2.250 ( -0.805 0.000 7.208) 7.253 2.309 ( 1.040 0.000 3.651) 3.797 2.353 ( 3.682 0.000 0.169) 3.686 2.430 ( -1.070 0.000 -1.758) 2.058 2.447 ( 1.409 0.000 2.411) 2.792 2.520 ( 0.111 0.000 2.221) 2.223 2.619 ( -3.535 0.000 -3.007) 4.641 2.668 ( -0.335 0.000 -2.449) 2.472 2.773 ( -1.543 0.000 1.725) 2.315 2.899 ( -0.396 0.000 -2.191) 2.226 2.999 ( 3.029 0.000 2.551) 3.960 3.037 ( -1.750 0.000 1.413) 2.249 3.272 ( 1.735 0.000 1.275) 2.153 3.284 ( -3.850 0.000 2.453) 4.565 3.350 ( -2.428 0.000 1.277) 2.743 3.369 ( 3.850 0.000 1.649) 4.188 3.405 ( -0.624 0.000 -2.914) 2.980 3.409 ( 0.700 0.000 -3.390) 3.462 3.493 ( 5.288 0.000 -3.618) 6.407 3.552 ( 0.527 0.000 -5.633) 5.658 3.733 ( -1.876 0.000 0.804) 2.041 3.750 ( -2.215 0.000 5.571) 5.996 3.798 ( 0.299 0.000 0.699) 0.760 3.863 ( 2.667 0.000 1.603) 3.111 3.871 ( 1.553 0.000 3.897) 4.195 3.905 ( -0.166 0.000 0.684) 0.704 3.961 ( 0.927 0.000 3.445) 3.567 3.974 ( 1.371 0.000 0.120) 1.376 4.018 ( -0.949 0.000 0.769) 1.221 4.101 ( -2.053 0.000 -0.885) 2.235 4.154 ( 1.489 0.000 0.848) 1.714 4.206 ( 3.939 0.000 -3.155) 5.047 4.250 ( -1.166 0.000 -4.632) 4.776 4.257 ( 0.335 0.000 3.042) 3.060 4.351 ( -2.974 0.000 -3.564) 4.642 4.371 ( 3.041 0.000 -2.577) 3.986 4.409 ( 1.312 0.000 -0.672) 1.474 4.447 ( -1.880 0.000 -2.305) 2.975 4.486 ( 1.010 0.000 -3.129) 3.288 4.527 ( -2.557 0.000 -2.710) 3.726 4.642 ( -1.686 0.000 -0.107) 1.689 4.644 ( 2.443 0.000 0.249) 2.455 4.658 ( -2.357 0.000 2.600) 3.510 4.770 ( 3.314 0.000 2.576) 4.198 4.819 ( 2.138 0.000 -3.251) 3.891 4.883 ( -2.336 0.000 -0.735) 2.449 5.094 ( -3.068 0.000 2.310) 3.840 5.164 ( -2.618 0.000 2.026) 3.310 5.192 ( 2.911 0.000 0.286) 2.925 5.229 ( 0.435 0.000 -2.232) 2.274 5.463 ( -0.353 0.000 5.842) 5.852 5.687 ( -0.256 0.000 -4.559) 4.566 5.787 ( -0.063 0.000 0.610) 0.614 5.807 ( -1.780 0.000 0.397) 1.824 5.955 ( 1.802 0.000 -0.409) 1.847 5.970 ( -1.565 0.000 1.100) 1.913 6.150 ( -0.837 0.000 0.403) 0.930 6.235 ( -2.066 0.000 -0.073) 2.067 6.321 ( 0.479 0.000 0.551) 0.730 6.382 ( 0.813 0.000 -0.593) 1.006 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 7.036 0.000 3.200) 7.729 0.351 ( 9.769 0.000 6.032) 11.481 0.666 ( -1.202 0.000 -3.035) 3.265 0.678 ( 12.298 0.000 0.571) 12.311 0.714 ( -1.650 0.000 -2.732) 3.192 0.764 ( 6.213 0.000 6.783) 9.199 0.785 ( 2.019 0.000 -2.139) 2.941 0.809 ( 0.791 0.000 -2.657) 2.772 0.906 ( 1.205 0.000 1.210) 1.707 0.930 ( 1.627 0.000 2.693) 3.146 0.949 ( 3.387 0.000 -2.248) 4.065 1.043 ( -1.799 0.000 -0.004) 1.799 1.087 ( 0.369 0.000 -0.736) 0.823 1.091 ( 1.371 0.000 -2.031) 2.450 1.134 ( -2.896 0.000 1.289) 3.170 1.152 ( 1.521 0.000 -0.479) 1.594 1.178 ( 4.909 0.000 -1.357) 5.093 1.224 ( -1.246 0.000 3.180) 3.415 1.228 ( -2.166 0.000 0.653) 2.262 1.268 ( -0.567 0.000 -1.787) 1.875 1.336 ( -1.512 0.000 2.360) 2.803 1.372 ( -0.784 0.000 0.220) 0.814 1.514 ( 1.365 0.000 2.609) 2.945 1.519 ( 6.058 0.000 -1.794) 6.318 1.554 ( 3.625 0.000 -7.640) 8.457 1.593 ( 5.494 0.000 -8.353) 9.998 1.712 ( 0.209 0.000 -6.038) 6.042 1.811 ( 0.959 0.000 -4.874) 4.968 1.841 ( -1.923 0.000 -0.211) 1.934 1.894 ( 0.556 0.000 -0.491) 0.742 1.989 ( 0.936 0.000 2.070) 2.271 2.013 ( 1.847 0.000 3.888) 4.305 2.022 ( -1.808 0.000 3.534) 3.970 2.091 ( -1.925 0.000 -1.969) 2.754 2.142 ( -0.271 0.000 1.057) 1.091 2.142 ( -0.041 0.000 1.164) 1.164 2.230 ( -1.263 0.000 5.183) 5.335 2.286 ( -2.495 0.000 3.158) 4.025 2.411 ( 2.095 0.000 2.135) 2.991 2.417 ( -0.889 0.000 -2.333) 2.497 2.493 ( 2.990 0.000 2.988) 4.227 2.522 ( 0.316 0.000 1.811) 1.839 2.529 ( -4.217 0.000 -0.005) 4.217 2.624 ( -4.000 0.000 -2.912) 4.948 2.747 ( -0.923 0.000 2.010) 2.211 2.845 ( -3.766 0.000 1.852) 4.197 3.027 ( 0.240 0.000 -2.289) 2.302 3.051 ( 2.605 0.000 3.628) 4.466 3.154 ( -8.037 0.000 -0.678) 8.066 3.249 ( -2.602 0.000 3.675) 4.503 3.302 ( -2.329 0.000 0.742) 2.445 3.369 ( -1.131 0.000 6.228) 6.330 3.427 ( 0.799 0.000 0.871) 1.182 3.466 ( 5.168 0.000 -3.430) 6.202 3.533 ( 0.749 0.000 0.556) 0.933 3.571 ( 1.277 0.000 -5.386) 5.536 3.672 ( -4.727 0.000 3.894) 6.125 3.726 ( 0.819 0.000 0.318) 0.878 3.809 ( 0.206 0.000 0.696) 0.726 3.830 ( -1.937 0.000 0.992) 2.176 3.879 ( -2.704 0.000 1.999) 3.363 3.925 ( -3.901 0.000 0.579) 3.943 3.934 ( 2.168 0.000 3.857) 4.425 3.960 ( 1.338 0.000 0.308) 1.373 4.020 ( 1.223 0.000 1.562) 1.984 4.078 ( -3.030 0.000 -4.895) 5.757 4.127 ( -1.765 0.000 0.020) 1.765 4.141 ( -5.298 0.000 -2.481) 5.850 4.228 ( -1.692 0.000 0.200) 1.704 4.259 ( -0.300 0.000 -1.043) 1.085 4.358 ( -6.183 0.000 -2.500) 6.670 4.366 ( 4.230 0.000 1.211) 4.400 4.450 ( -1.591 0.000 -0.361) 1.631 4.477 ( 5.163 0.000 -2.300) 5.652 4.515 ( 1.210 0.000 -1.918) 2.267 4.516 ( 2.303 0.000 -4.176) 4.769 4.641 ( 1.773 0.000 1.721) 2.471 4.653 ( -1.093 0.000 -0.050) 1.095 4.662 ( 1.380 0.000 -0.086) 1.383 4.842 ( 3.147 0.000 3.392) 4.628 4.862 ( 1.733 0.000 -1.047) 2.025 4.921 ( 5.807 0.000 -3.380) 6.719 5.077 ( -2.289 0.000 1.228) 2.598 5.090 ( 2.412 0.000 -0.867) 2.563 5.222 ( -0.126 0.000 1.968) 1.972 5.287 ( 3.780 0.000 -1.684) 4.138 5.461 ( 0.160 0.000 6.523) 6.525 5.744 ( 0.480 0.000 -4.171) 4.198 5.766 ( -1.786 0.000 0.630) 1.894 5.827 ( 2.493 0.000 -4.315) 4.984 5.962 ( 1.055 0.000 -2.266) 2.499 5.986 ( 1.706 0.000 0.453) 1.765 6.123 ( -2.097 0.000 2.512) 3.272 6.185 ( -3.254 0.000 -0.163) 3.258 6.313 ( -1.152 0.000 0.307) 1.192 6.384 ( -0.483 0.000 -0.191) 0.520 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 10.198 0.000 -5.059) 11.384 0.518 ( 5.613 0.000 -3.714) 6.731 0.673 ( 3.356 0.000 0.463) 3.387 0.698 ( 0.313 0.000 -2.129) 2.152 0.735 ( 0.279 0.000 -2.286) 2.303 0.782 ( -3.264 0.000 -1.661) 3.662 0.823 ( 1.623 0.000 -6.323) 6.528 0.914 ( 2.093 0.000 -0.302) 2.115 0.920 ( -1.278 0.000 1.257) 1.793 0.939 ( 1.313 0.000 -3.381) 3.627 0.987 ( -2.143 0.000 0.704) 2.255 1.058 ( -1.463 0.000 -3.372) 3.676 1.087 ( -1.657 0.000 0.659) 1.784 1.114 ( 1.230 0.000 -1.759) 2.146 1.140 ( 6.378 0.000 2.886) 7.000 1.165 ( -2.067 0.000 -1.269) 2.425 1.219 ( 0.789 0.000 2.193) 2.331 1.226 ( 7.710 0.000 4.172) 8.766 1.278 ( 2.138 0.000 3.961) 4.501 1.283 ( 5.033 0.000 -0.648) 5.074 1.325 ( 0.433 0.000 -0.964) 1.057 1.354 ( -0.554 0.000 -1.405) 1.510 1.556 ( 2.699 0.000 0.137) 2.702 1.624 ( 3.930 0.000 2.871) 4.867 1.625 ( 3.061 0.000 -5.666) 6.440 1.691 ( 3.104 0.000 -7.600) 8.209 1.746 ( 4.067 0.000 -6.767) 7.895 1.805 ( -1.251 0.000 1.091) 1.660 1.837 ( -2.856 0.000 2.253) 3.637 1.881 ( 1.509 0.000 -1.426) 2.076 1.972 ( -1.761 0.000 3.734) 4.128 1.990 ( -3.783 0.000 0.987) 3.910 2.032 ( -2.588 0.000 4.711) 5.375 2.056 ( 3.836 0.000 3.285) 5.050 2.124 ( -1.781 0.000 2.528) 3.092 2.143 ( 0.840 0.000 -0.785) 1.150 2.213 ( -0.089 0.000 2.304) 2.305 2.258 ( -0.791 0.000 0.431) 0.901 2.394 ( -0.843 0.000 -2.833) 2.956 2.425 ( -0.963 0.000 2.601) 2.773 2.477 ( -1.454 0.000 -1.630) 2.184 2.484 ( -5.358 0.000 -0.554) 5.386 2.543 ( 1.413 0.000 1.441) 2.018 2.581 ( 0.719 0.000 -1.113) 1.326 2.753 ( 1.792 0.000 3.504) 3.936 2.782 ( -2.846 0.000 5.309) 6.023 3.013 ( -6.129 0.000 -1.064) 6.221 3.023 ( -0.898 0.000 -5.040) 5.120 3.112 ( 3.809 0.000 2.700) 4.669 3.206 ( -1.674 0.000 4.072) 4.403 3.255 ( -2.459 0.000 2.633) 3.603 3.360 ( -0.077 0.000 9.127) 9.127 3.433 ( -0.300 0.000 1.344) 1.377 3.555 ( 1.273 0.000 -1.274) 1.801 3.561 ( 3.219 0.000 -3.343) 4.641 3.598 ( 1.020 0.000 -5.842) 5.931 3.611 ( 0.040 0.000 0.814) 0.815 3.725 ( -0.974 0.000 -0.004) 0.974 3.784 ( -2.743 0.000 3.206) 4.220 3.816 ( 0.083 0.000 -1.631) 1.633 3.831 ( -1.751 0.000 1.009) 2.021 3.866 ( -1.465 0.000 0.969) 1.757 3.943 ( -2.490 0.000 -0.621) 2.566 3.980 ( -1.788 0.000 -3.321) 3.772 4.032 ( -1.261 0.000 1.696) 2.113 4.039 ( 2.424 0.000 -5.666) 6.162 4.101 ( -1.495 0.000 -0.593) 1.608 4.116 ( 3.267 0.000 0.834) 3.371 4.187 ( -1.519 0.000 0.789) 1.711 4.253 ( -0.384 0.000 -0.079) 0.392 4.296 ( 0.893 0.000 3.910) 4.011 4.391 ( -3.842 0.000 -1.626) 4.172 4.444 ( 3.339 0.000 1.198) 3.547 4.456 ( -2.437 0.000 -1.588) 2.909 4.571 ( 2.998 0.000 -2.459) 3.877 4.593 ( -4.485 0.000 2.044) 4.929 4.613 ( -4.269 0.000 1.939) 4.689 4.643 ( 6.845 0.000 -5.205) 8.599 4.720 ( 4.541 0.000 0.553) 4.575 4.870 ( 0.145 0.000 4.441) 4.443 4.897 ( 1.274 0.000 -1.905) 2.291 5.036 ( 5.262 0.000 -5.581) 7.671 5.109 ( 4.188 0.000 -1.473) 4.440 5.138 ( 1.163 0.000 -1.620) 1.994 5.197 ( -1.486 0.000 3.053) 3.395 5.329 ( -0.107 0.000 -2.392) 2.394 5.472 ( 0.828 0.000 8.180) 8.221 5.731 ( -1.579 0.000 0.519) 1.662 5.752 ( 1.634 0.000 -2.572) 3.047 5.816 ( -2.269 0.000 -0.850) 2.423 5.981 ( -0.890 0.000 -3.446) 3.559 6.031 ( 2.952 0.000 -1.404) 3.269 6.084 ( -1.054 0.000 1.366) 1.725 6.121 ( -2.834 0.000 0.593) 2.896 6.279 ( -2.409 0.000 1.376) 2.774 6.371 ( -0.752 0.000 -0.439) 0.871 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 1.148 0.000 -7.649) 7.735 0.585 ( 7.041 0.000 -7.176) 10.054 0.651 ( -8.294 0.000 -2.050) 8.544 0.687 ( -0.048 0.000 -1.768) 1.769 0.755 ( 0.844 0.000 -1.349) 1.591 0.772 ( 0.363 0.000 1.059) 1.119 0.840 ( -2.877 0.000 0.676) 2.955 0.868 ( 3.739 0.000 -5.069) 6.299 0.901 ( -2.047 0.000 -2.371) 3.132 0.983 ( 0.076 0.000 -0.320) 0.329 0.984 ( 2.377 0.000 -0.345) 2.402 1.036 ( -0.964 0.000 -6.105) 6.181 1.060 ( -0.858 0.000 -0.709) 1.113 1.121 ( -0.211 0.000 -3.691) 3.697 1.139 ( -1.336 0.000 -0.892) 1.607 1.150 ( 0.752 0.000 4.116) 4.184 1.215 ( -0.984 0.000 2.330) 2.529 1.309 ( 0.075 0.000 3.682) 3.683 1.324 ( -1.074 0.000 -2.231) 2.476 1.341 ( 1.020 0.000 -2.289) 2.506 1.349 ( 0.511 0.000 0.483) 0.703 1.458 ( 7.544 0.000 3.624) 8.370 1.581 ( -2.438 0.000 -1.233) 2.732 1.636 ( -2.662 0.000 0.659) 2.742 1.641 ( -5.471 0.000 -1.366) 5.639 1.706 ( -0.592 0.000 -4.415) 4.455 1.708 ( -0.240 0.000 0.320) 0.400 1.822 ( 3.207 0.000 3.085) 4.450 1.839 ( 4.449 0.000 -2.579) 5.143 1.927 ( -2.139 0.000 -0.198) 2.148 1.957 ( 0.321 0.000 3.577) 3.591 1.966 ( 4.186 0.000 2.991) 5.145 2.011 ( 0.885 0.000 4.581) 4.666 2.075 ( -1.951 0.000 2.481) 3.156 2.096 ( -0.850 0.000 3.362) 3.468 2.179 ( 2.004 0.000 -1.709) 2.634 2.224 ( -2.886 0.000 -0.494) 2.928 2.234 ( -0.656 0.000 0.229) 0.694 2.364 ( -1.293 0.000 -2.352) 2.684 2.401 ( -3.621 0.000 2.161) 4.217 2.402 ( 1.500 0.000 -2.441) 2.866 2.467 ( 0.459 0.000 -1.907) 1.962 2.566 ( 1.016 0.000 1.155) 1.538 2.588 ( -0.062 0.000 -0.458) 0.462 2.742 ( -1.305 0.000 7.183) 7.301 2.802 ( 2.540 0.000 4.662) 5.309 2.931 ( -2.642 0.000 -2.610) 3.713 3.003 ( -0.605 0.000 -5.260) 5.295 3.179 ( -1.590 0.000 2.144) 2.669 3.197 ( 4.821 0.000 2.518) 5.439 3.228 ( 0.148 0.000 6.097) 6.099 3.357 ( -0.492 0.000 7.396) 7.413 3.412 ( -1.777 0.000 1.803) 2.531 3.536 ( -2.598 0.000 -3.282) 4.186 3.563 ( -0.850 0.000 -3.031) 3.148 3.643 ( 2.674 0.000 -2.522) 3.676 3.673 ( 4.245 0.000 -2.088) 4.731 3.715 ( 0.222 0.000 -0.634) 0.672 3.746 ( -0.810 0.000 4.109) 4.188 3.806 ( -0.736 0.000 1.499) 1.670 3.815 ( -0.292 0.000 -3.338) 3.351 3.866 ( -3.701 0.000 -5.741) 6.830 3.879 ( 2.568 0.000 0.582) 2.633 3.968 ( 0.229 0.000 -1.381) 1.400 3.975 ( -2.733 0.000 0.847) 2.861 4.077 ( 1.379 0.000 -6.536) 6.680 4.090 ( -0.598 0.000 -0.156) 0.618 4.178 ( -0.255 0.000 3.542) 3.551 4.208 ( 0.878 0.000 5.232) 5.305 4.272 ( 5.925 0.000 0.295) 5.932 4.320 ( -1.148 0.000 2.239) 2.516 4.324 ( -2.801 0.000 -0.334) 2.821 4.434 ( 0.729 0.000 -0.940) 1.190 4.485 ( 0.670 0.000 -2.506) 2.594 4.524 ( -3.650 0.000 1.215) 3.847 4.527 ( 0.044 0.000 1.511) 1.512 4.628 ( 2.454 0.000 -2.025) 3.182 4.743 ( 3.097 0.000 -4.051) 5.100 4.770 ( -0.393 0.000 3.972) 3.991 4.863 ( -1.166 0.000 2.415) 2.681 4.883 ( -2.838 0.000 -3.601) 4.585 5.067 ( -1.709 0.000 -5.105) 5.383 5.131 ( -1.525 0.000 0.201) 1.538 5.183 ( 2.911 0.000 -0.197) 2.918 5.220 ( 4.108 0.000 1.172) 4.272 5.288 ( -3.084 0.000 -4.680) 5.605 5.478 ( -0.791 0.000 9.508) 9.541 5.718 ( 0.354 0.000 0.664) 0.753 5.776 ( -0.636 0.000 -1.944) 2.045 5.799 ( 0.794 0.000 -1.020) 1.292 5.942 ( -0.586 0.000 0.971) 1.135 6.034 ( -3.117 0.000 -2.918) 4.269 6.093 ( 1.343 0.000 -1.376) 1.923 6.132 ( 3.465 0.000 -1.516) 3.782 6.243 ( -0.374 0.000 4.415) 4.431 6.359 ( -0.439 0.000 -0.917) 1.017 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -12.355 0.000 -4.052) 13.003 0.562 ( -3.906 0.000 -2.652) 4.721 0.625 ( -5.205 0.000 -3.514) 6.280 0.692 ( 2.381 0.000 -1.981) 3.097 0.740 ( 1.052 0.000 2.268) 2.500 0.795 ( 3.231 0.000 -3.790) 4.981 0.834 ( 0.061 0.000 -2.877) 2.878 0.841 ( -4.551 0.000 -4.269) 6.240 0.937 ( 0.298 0.000 -1.982) 2.005 0.995 ( -3.394 0.000 -2.225) 4.059 0.995 ( 2.796 0.000 0.957) 2.955 1.006 ( -1.816 0.000 1.566) 2.398 1.068 ( 1.966 0.000 -0.419) 2.010 1.120 ( -0.788 0.000 -3.153) 3.250 1.141 ( 2.153 0.000 -0.856) 2.317 1.160 ( -0.141 0.000 1.777) 1.782 1.190 ( -1.007 0.000 3.019) 3.183 1.246 ( -5.270 0.000 2.827) 5.980 1.280 ( -2.761 0.000 2.232) 3.550 1.319 ( -6.431 0.000 -0.861) 6.489 1.347 ( -0.641 0.000 -1.942) 2.045 1.405 ( -5.944 0.000 6.730) 8.979 1.493 ( -1.388 0.000 0.431) 1.454 1.557 ( -4.882 0.000 -4.444) 6.602 1.619 ( 0.468 0.000 -7.304) 7.319 1.686 ( -1.461 0.000 -2.412) 2.820 1.765 ( 0.344 0.000 -7.034) 7.043 1.862 ( -0.977 0.000 1.663) 1.928 1.896 ( -0.363 0.000 -2.027) 2.060 1.913 ( 3.337 0.000 1.775) 3.780 1.948 ( -3.307 0.000 -2.256) 4.003 2.007 ( 1.038 0.000 4.399) 4.520 2.027 ( 0.275 0.000 4.893) 4.901 2.074 ( 2.746 0.000 1.943) 3.364 2.117 ( 4.093 0.000 6.946) 8.062 2.161 ( -2.899 0.000 -2.784) 4.019 2.175 ( -2.434 0.000 2.243) 3.310 2.224 ( 2.836 0.000 -1.524) 3.220 2.317 ( -3.901 0.000 3.351) 5.143 2.418 ( 2.564 0.000 -2.299) 3.444 2.441 ( 2.262 0.000 -0.011) 2.262 2.486 ( 1.096 0.000 -0.721) 1.312 2.590 ( 2.044 0.000 1.552) 2.566 2.596 ( 1.504 0.000 -0.191) 1.516 2.741 ( 1.445 0.000 7.641) 7.777 2.825 ( -0.445 0.000 3.691) 3.718 2.909 ( 0.508 0.000 -2.253) 2.310 3.013 ( 1.944 0.000 -3.044) 3.612 3.141 ( -2.357 0.000 0.988) 2.556 3.255 ( 2.382 0.000 5.780) 6.252 3.289 ( 4.389 0.000 3.414) 5.561 3.339 ( -1.327 0.000 2.740) 3.044 3.384 ( -0.672 0.000 4.029) 4.085 3.497 ( -1.456 0.000 -3.178) 3.496 3.519 ( -3.356 0.000 -3.289) 4.699 3.668 ( -1.075 0.000 -1.171) 1.590 3.729 ( 1.007 0.000 -3.750) 3.883 3.739 ( 0.584 0.000 2.737) 2.799 3.748 ( 2.674 0.000 -1.234) 2.945 3.791 ( -1.319 0.000 -0.138) 1.326 3.828 ( 3.163 0.000 4.230) 5.281 3.849 ( 1.137 0.000 -4.228) 4.378 3.942 ( 2.649 0.000 -0.643) 2.726 3.967 ( 2.163 0.000 0.873) 2.333 3.974 ( -0.510 0.000 -1.184) 1.289 4.024 ( -4.505 0.000 -0.379) 4.521 4.077 ( -0.237 0.000 -4.962) 4.968 4.204 ( -0.181 0.000 0.789) 0.809 4.205 ( 3.028 0.000 3.982) 5.002 4.285 ( -1.405 0.000 3.324) 3.608 4.302 ( 0.486 0.000 -1.915) 1.975 4.392 ( 4.019 0.000 -0.320) 4.032 4.435 ( 0.205 0.000 0.028) 0.207 4.471 ( 0.098 0.000 -1.731) 1.734 4.491 ( -1.316 0.000 -1.774) 2.209 4.597 ( 3.835 0.000 0.430) 3.859 4.653 ( -0.917 0.000 -1.464) 1.728 4.728 ( -4.748 0.000 -0.284) 4.756 4.740 ( -0.779 0.000 6.197) 6.246 4.800 ( -5.181 0.000 0.289) 5.189 4.831 ( -1.576 0.000 -6.260) 6.456 5.010 ( -3.546 0.000 -1.233) 3.754 5.112 ( -0.165 0.000 -2.080) 2.087 5.183 ( -2.583 0.000 1.341) 2.910 5.268 ( 0.820 0.000 -3.928) 4.012 5.269 ( -0.994 0.000 -0.526) 1.125 5.459 ( -0.001 0.000 9.723) 9.723 5.739 ( 1.452 0.000 0.619) 1.579 5.748 ( -2.127 0.000 -3.771) 4.329 5.814 ( 1.908 0.000 -1.386) 2.358 5.958 ( -3.652 0.000 -1.545) 3.966 5.982 ( 2.914 0.000 1.483) 3.269 6.122 ( 1.690 0.000 -1.427) 2.211 6.206 ( 4.148 0.000 -2.546) 4.867 6.264 ( 1.456 0.000 4.474) 4.705 6.356 ( 0.124 0.000 -1.286) 1.292 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( -6.901 0.000 4.228) 8.093 0.389 ( -10.552 0.000 7.363) 12.867 0.612 ( 1.441 0.000 -7.343) 7.483 0.641 ( -15.726 0.000 6.484) 17.011 0.721 ( -0.409 0.000 -2.563) 2.595 0.763 ( 0.765 0.000 2.051) 2.189 0.818 ( -1.890 0.000 -0.892) 2.090 0.823 ( -1.194 0.000 -3.604) 3.796 0.912 ( -1.743 0.000 0.126) 1.747 0.927 ( -0.768 0.000 0.374) 0.854 0.962 ( -2.036 0.000 -1.100) 2.314 1.022 ( -1.058 0.000 -0.159) 1.070 1.103 ( -2.001 0.000 -3.289) 3.850 1.105 ( 0.782 0.000 0.996) 1.266 1.139 ( -1.051 0.000 0.761) 1.297 1.182 ( 0.538 0.000 0.402) 0.672 1.184 ( -2.840 0.000 0.022) 2.841 1.201 ( 1.788 0.000 3.229) 3.691 1.242 ( 3.541 0.000 1.065) 3.698 1.246 ( 1.033 0.000 2.495) 2.700 1.318 ( -1.940 0.000 -3.761) 4.232 1.338 ( -3.325 0.000 6.449) 7.256 1.474 ( -3.367 0.000 -9.158) 9.757 1.483 ( 0.286 0.000 -3.997) 4.007 1.608 ( -2.617 0.000 -3.189) 4.126 1.638 ( -4.049 0.000 -0.488) 4.079 1.734 ( -0.122 0.000 -9.553) 9.554 1.773 ( -4.746 0.000 -4.203) 6.340 1.893 ( -0.653 0.000 -1.780) 1.896 1.908 ( -1.522 0.000 -0.879) 1.758 1.966 ( 1.830 0.000 2.760) 3.312 2.000 ( -2.402 0.000 -0.323) 2.423 2.054 ( 0.955 0.000 4.341) 4.445 2.104 ( -1.112 0.000 0.462) 1.204 2.112 ( 1.779 0.000 2.282) 2.894 2.152 ( -0.372 0.000 2.554) 2.581 2.240 ( 5.764 0.000 4.427) 7.268 2.266 ( -1.424 0.000 6.144) 6.307 2.284 ( 3.462 0.000 -0.571) 3.509 2.437 ( 0.090 0.000 0.021) 0.092 2.456 ( -0.963 0.000 -0.035) 0.964 2.507 ( 1.221 0.000 0.916) 1.527 2.636 ( 1.533 0.000 -1.727) 2.309 2.642 ( 2.620 0.000 -1.511) 3.024 2.802 ( -1.522 0.000 1.728) 2.302 2.822 ( 6.988 0.000 6.725) 9.698 2.942 ( 2.652 0.000 0.543) 2.707 3.073 ( 0.780 0.000 2.393) 2.517 3.114 ( 4.645 0.000 1.652) 4.931 3.295 ( 1.377 0.000 3.883) 4.120 3.320 ( -0.270 0.000 1.800) 1.820 3.350 ( 1.636 0.000 3.029) 3.443 3.389 ( 1.017 0.000 2.329) 2.542 3.463 ( -1.845 0.000 -1.975) 2.702 3.471 ( -2.093 0.000 -2.664) 3.388 3.591 ( -5.306 0.000 -3.200) 6.197 3.751 ( 0.880 0.000 1.576) 1.805 3.762 ( 3.182 0.000 -0.350) 3.201 3.772 ( -1.365 0.000 -0.679) 1.524 3.791 ( 1.279 0.000 3.201) 3.447 3.871 ( 0.821 0.000 0.036) 0.822 3.891 ( 2.293 0.000 2.216) 3.189 3.934 ( 0.138 0.000 0.862) 0.873 3.947 ( -0.903 0.000 0.117) 0.910 4.012 ( 1.749 0.000 2.290) 2.882 4.065 ( 5.777 0.000 -0.350) 5.788 4.105 ( 2.523 0.000 -2.857) 3.812 4.183 ( -1.828 0.000 -1.830) 2.587 4.253 ( 1.495 0.000 -2.014) 2.509 4.267 ( -0.983 0.000 2.317) 2.517 4.331 ( 1.986 0.000 -2.713) 3.362 4.416 ( -0.416 0.000 -3.607) 3.631 4.438 ( -3.877 0.000 -3.634) 5.314 4.462 ( 1.487 0.000 0.475) 1.561 4.488 ( -0.864 0.000 1.439) 1.679 4.597 ( -3.095 0.000 -3.726) 4.844 4.626 ( 1.241 0.000 2.467) 2.762 4.629 ( -3.820 0.000 1.100) 3.975 4.708 ( -3.760 0.000 -1.892) 4.209 4.753 ( 0.464 0.000 3.990) 4.017 4.809 ( -0.651 0.000 -3.844) 3.899 4.948 ( -3.312 0.000 -0.295) 3.325 5.134 ( 2.600 0.000 -2.210) 3.412 5.153 ( 0.235 0.000 1.102) 1.126 5.187 ( -5.966 0.000 2.107) 6.327 5.262 ( -1.749 0.000 -0.938) 1.984 5.469 ( 0.020 0.000 6.949) 6.949 5.722 ( -0.848 0.000 -5.509) 5.574 5.768 ( 1.623 0.000 0.257) 1.643 5.844 ( 0.172 0.000 -2.542) 2.548 5.928 ( 0.447 0.000 -0.648) 0.788 6.007 ( -0.854 0.000 0.656) 1.077 6.150 ( 0.953 0.000 -1.386) 1.682 6.258 ( 0.209 0.000 -1.737) 1.749 6.292 ( 2.182 0.000 2.912) 3.638 6.364 ( 0.761 0.000 -1.188) 1.410 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -2.335 7.805 6.392) 10.355 0.414 ( 2.238 10.720 7.412) 13.224 0.570 ( 0.461 8.087 0.256) 8.104 0.654 ( 0.984 3.570 0.991) 3.834 0.703 ( 2.339 -0.880 -0.059) 2.500 0.774 ( -1.725 1.805 0.097) 2.499 0.803 ( -0.402 0.338 -2.619) 2.671 0.822 ( -0.406 2.660 -1.349) 3.010 0.908 ( -0.196 1.971 0.809) 2.139 0.920 ( -0.133 2.957 0.383) 2.985 0.955 ( -0.851 0.910 -2.693) 2.967 1.007 ( 0.960 0.410 -2.075) 2.323 1.056 ( -0.326 -0.903 -0.398) 1.039 1.102 ( 0.638 -1.457 2.161) 2.684 1.132 ( -1.336 -1.011 1.507) 2.253 1.137 ( -0.490 0.184 -0.251) 0.580 1.210 ( -1.674 1.345 1.951) 2.902 1.222 ( 0.415 -2.565 -0.355) 2.622 1.224 ( 0.581 -0.091 2.010) 2.094 1.277 ( 2.383 -2.070 3.428) 4.660 1.303 ( -0.445 0.137 0.826) 0.948 1.375 ( 4.008 0.695 -2.872) 4.979 1.428 ( -0.051 -2.051 -6.163) 6.496 1.460 ( -0.060 -0.730 0.651) 0.979 1.513 ( -2.967 -2.374 -2.690) 4.656 1.600 ( -0.651 1.232 -5.541) 5.713 1.644 ( 0.119 -7.946 -6.193) 10.075 1.726 ( -1.085 -0.161 -5.767) 5.870 1.890 ( -1.292 1.970 -0.455) 2.399 1.917 ( 0.306 3.630 0.817) 3.733 1.958 ( 2.464 0.421 1.662) 3.002 2.030 ( -2.503 -1.515 0.090) 2.927 2.063 ( 0.787 -0.535 1.476) 1.756 2.094 ( -0.077 -0.653 -1.224) 1.389 2.129 ( -1.286 1.888 4.150) 4.737 2.191 ( 1.189 0.949 1.682) 2.268 2.287 ( 1.020 2.474 4.126) 4.918 2.318 ( 0.541 0.771 2.038) 2.245 2.373 ( 0.983 1.341 1.165) 2.030 2.408 ( 1.022 -1.205 -1.667) 2.297 2.428 ( 0.588 -0.889 1.586) 1.911 2.506 ( -0.365 -2.637 0.801) 2.780 2.582 ( -1.637 -0.262 2.760) 3.220 2.680 ( -0.265 0.559 -1.723) 1.831 2.738 ( -1.635 -0.679 0.642) 1.883 2.863 ( -0.583 -3.393 -3.699) 5.053 3.002 ( 1.255 0.482 1.188) 1.794 3.053 ( -0.412 0.313 0.508) 0.725 3.181 ( 0.279 -9.531 2.687) 9.906 3.202 ( -1.123 -3.851 2.506) 4.730 3.259 ( 0.667 -6.216 0.379) 6.263 3.335 ( -2.286 -0.018 2.933) 3.719 3.374 ( 3.979 -2.587 0.627) 4.787 3.438 ( 2.377 2.000 -3.396) 4.603 3.508 ( -2.326 0.691 -1.989) 3.137 3.609 ( -0.037 -4.952 -0.995) 5.051 3.640 ( 2.076 -0.510 -5.618) 6.011 3.742 ( 0.888 -2.673 3.516) 4.505 3.784 ( -1.432 -2.833 2.999) 4.367 3.835 ( -1.734 1.075 3.461) 4.018 3.851 ( 0.685 -0.832 2.589) 2.804 3.904 ( 0.268 0.419 0.992) 1.109 3.944 ( 0.472 2.475 0.367) 2.546 4.012 ( 3.404 3.903 2.772) 5.874 4.031 ( 1.112 -1.479 0.672) 1.969 4.115 ( -0.312 -0.151 -0.103) 0.362 4.142 ( -1.605 -1.364 -0.839) 2.267 4.219 ( -1.022 -1.269 -3.007) 3.420 4.262 ( 3.475 1.325 -1.980) 4.213 4.292 ( -2.681 1.848 2.057) 3.852 4.313 ( 0.063 -2.877 -1.669) 3.326 4.322 ( -1.776 -3.096 -0.882) 3.676 4.426 ( -0.800 1.154 -2.480) 2.850 4.471 ( 1.959 2.783 -2.174) 4.039 4.510 ( -0.858 0.456 -3.245) 3.388 4.542 ( 2.307 -0.749 2.030) 3.163 4.557 ( 1.139 3.237 -2.758) 4.403 4.622 ( -1.872 -2.579 -4.140) 5.224 4.725 ( -0.250 -3.065 2.556) 3.999 4.770 ( -1.011 4.879 2.109) 5.411 4.820 ( 0.497 -0.676 0.703) 1.094 4.948 ( -0.971 3.993 -3.517) 5.408 5.077 ( -1.438 -0.991 4.941) 5.240 5.112 ( -0.316 -1.416 3.110) 3.432 5.249 ( 0.880 3.030 -0.712) 3.235 5.273 ( 0.064 3.320 -2.805) 4.347 5.455 ( -1.254 -0.603 5.524) 5.697 5.591 ( 1.011 -4.881 3.661) 6.185 5.742 ( -0.080 -2.555 -0.491) 2.603 5.784 ( -0.447 0.310 -0.639) 0.839 5.854 ( 1.345 -5.097 1.475) 5.474 5.976 ( 0.076 -1.010 -4.002) 4.129 6.177 ( 0.348 2.841 3.563) 4.570 6.227 ( -1.727 0.960 3.129) 3.701 6.391 ( -0.161 0.620 -1.260) 1.413 6.460 ( -0.024 2.004 -6.774) 7.064 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.986 8.913 2.680) 9.359 0.461 ( 5.068 7.546 2.604) 9.456 0.634 ( 1.089 -1.857 -1.679) 2.731 0.690 ( 0.404 1.035 -2.278) 2.534 0.747 ( 1.572 -0.584 0.356) 1.714 0.788 ( 1.606 2.507 -3.485) 4.584 0.811 ( 1.527 1.321 -1.115) 2.306 0.858 ( 5.614 5.505 0.234) 7.866 0.914 ( 1.300 0.865 1.614) 2.246 0.950 ( 0.745 0.249 -3.213) 3.308 0.975 ( 4.621 4.090 4.243) 7.489 1.027 ( -0.549 -1.027 -0.299) 1.203 1.065 ( 0.994 -0.491 -0.527) 1.228 1.081 ( -0.995 -0.318 -1.685) 1.983 1.137 ( -0.147 -0.390 -0.690) 0.806 1.143 ( 1.988 -0.825 1.444) 2.592 1.183 ( 1.345 0.606 0.792) 1.674 1.207 ( -1.250 -1.347 -1.834) 2.597 1.225 ( -0.464 0.793 3.539) 3.656 1.299 ( -0.044 1.376 1.026) 1.717 1.328 ( 1.576 -1.173 1.619) 2.546 1.387 ( -1.881 0.817 1.715) 2.674 1.464 ( 3.704 -2.842 -1.714) 4.973 1.487 ( 1.849 -4.481 -4.647) 6.715 1.517 ( 4.424 -1.306 1.776) 4.943 1.621 ( -0.990 -3.371 -8.338) 9.048 1.644 ( 4.662 0.288 -7.136) 8.529 1.718 ( 0.022 -2.979 -2.328) 3.781 1.887 ( 0.772 2.403 -0.800) 2.648 1.940 ( 1.944 2.352 1.792) 3.539 1.968 ( -1.350 -1.490 -0.487) 2.069 2.006 ( -0.349 -0.752 2.575) 2.705 2.061 ( -1.281 0.203 1.521) 1.999 2.091 ( -1.493 -1.258 1.948) 2.758 2.119 ( 1.351 1.561 -0.688) 2.176 2.196 ( -1.033 2.673 1.924) 3.452 2.282 ( -1.434 1.604 1.930) 2.891 2.292 ( -2.094 0.057 2.919) 3.593 2.383 ( 0.019 -1.479 1.414) 2.046 2.420 ( 0.101 0.599 -0.775) 0.985 2.474 ( 2.791 -1.492 1.181) 3.378 2.493 ( -0.693 -1.254 -0.838) 1.659 2.539 ( -2.131 0.759 2.966) 3.730 2.637 ( -3.757 0.711 -2.025) 4.327 2.715 ( -0.636 -0.903 1.260) 1.675 2.843 ( -1.543 -1.837 -1.401) 2.778 3.012 ( 0.201 -0.823 -1.427) 1.659 3.043 ( -0.613 -1.236 2.079) 2.495 3.138 ( -4.453 -0.449 0.395) 4.493 3.178 ( -0.396 -5.856 2.846) 6.523 3.246 ( -2.244 -4.370 1.284) 5.078 3.341 ( 2.481 -3.409 2.414) 4.858 3.425 ( 0.693 0.257 3.941) 4.009 3.449 ( -1.888 0.221 2.325) 3.004 3.482 ( 2.788 -0.482 -2.530) 3.795 3.602 ( -0.253 -6.198 1.016) 6.285 3.674 ( 1.102 0.151 -7.657) 7.738 3.693 ( -5.338 -0.239 1.592) 5.575 3.767 ( 1.166 -1.044 1.411) 2.107 3.816 ( 0.273 -2.510 1.773) 3.085 3.842 ( -2.402 -1.797 1.323) 3.278 3.901 ( -2.843 -1.621 0.442) 3.302 3.931 ( -0.333 0.946 -0.690) 1.217 3.997 ( -2.385 1.174 2.077) 3.373 4.036 ( -1.471 1.165 0.062) 1.877 4.105 ( -3.638 1.472 -0.780) 4.001 4.119 ( -1.242 -0.646 0.383) 1.452 4.146 ( -1.942 0.377 -3.302) 3.849 4.204 ( -3.206 -3.863 2.352) 5.543 4.296 ( -0.509 2.138 -0.055) 2.198 4.308 ( 0.751 -2.092 -0.187) 2.231 4.372 ( 2.566 -0.102 0.330) 2.589 4.450 ( -1.740 -0.520 -1.703) 2.490 4.456 ( 1.538 0.056 -5.013) 5.244 4.533 ( -0.529 1.265 -0.626) 1.508 4.574 ( 2.313 3.166 0.921) 4.028 4.611 ( 2.722 3.991 -3.210) 5.800 4.630 ( 3.379 -1.078 -2.519) 4.351 4.761 ( 4.558 1.762 0.385) 4.902 4.789 ( 2.860 -0.451 3.314) 4.401 4.869 ( 3.477 -1.236 0.732) 3.761 4.965 ( 1.948 2.762 -1.909) 3.881 5.078 ( 1.392 -0.422 2.748) 3.109 5.126 ( 2.082 1.958 0.331) 2.877 5.231 ( -1.284 2.077 1.032) 2.651 5.284 ( 0.555 0.877 -3.028) 3.201 5.433 ( -0.683 -2.125 5.802) 6.216 5.700 ( 4.136 -5.136 -2.675) 7.116 5.735 ( 0.890 -3.375 0.376) 3.510 5.781 ( 1.252 0.096 -1.128) 1.688 5.855 ( -1.107 -5.117 1.774) 5.528 5.988 ( 1.246 -0.365 -3.825) 4.040 6.162 ( -1.937 0.396 3.350) 3.890 6.185 ( -2.774 3.478 3.225) 5.494 6.373 ( -1.772 0.570 -1.587) 2.446 6.421 ( -3.005 1.994 -3.431) 4.978 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 6.626 2.144 -3.599) 7.839 0.554 ( 3.040 2.442 -4.758) 6.151 0.655 ( 1.809 -1.289 -0.522) 2.282 0.708 ( 2.898 2.050 -0.128) 3.552 0.746 ( -0.867 -0.463 -1.626) 1.900 0.792 ( -3.371 0.939 -2.467) 4.282 0.832 ( 2.388 1.079 -5.523) 6.113 0.904 ( -1.836 0.074 0.561) 1.921 0.932 ( 0.626 0.836 -1.031) 1.468 0.959 ( 0.604 1.038 -1.055) 1.598 0.988 ( -0.126 0.552 -1.804) 1.891 1.040 ( 0.176 -1.189 -1.013) 1.572 1.075 ( -1.045 0.473 -1.899) 2.218 1.101 ( -0.543 -1.026 -2.139) 2.434 1.150 ( -0.092 0.030 -0.514) 0.523 1.169 ( 0.348 -1.935 1.035) 2.222 1.187 ( 0.750 -2.271 3.498) 4.237 1.264 ( 5.810 1.494 2.789) 6.616 1.279 ( 5.600 1.623 1.075) 5.929 1.294 ( 0.471 -0.059 -1.407) 1.485 1.331 ( 0.586 1.318 4.310) 4.545 1.385 ( 1.502 3.139 0.112) 3.482 1.516 ( 1.031 -5.268 -5.981) 8.036 1.562 ( 5.407 -1.367 2.461) 6.096 1.595 ( 2.199 -5.995 -1.816) 6.639 1.637 ( 3.628 -0.730 0.119) 3.702 1.727 ( 1.571 -2.985 -0.445) 3.402 1.754 ( 5.606 1.808 -5.995) 8.404 1.891 ( -1.722 2.583 -0.672) 3.177 1.939 ( -2.234 -3.072 0.709) 3.864 1.974 ( 0.786 3.522 -0.317) 3.623 1.988 ( -0.723 0.290 3.527) 3.612 2.036 ( -0.987 -1.811 3.314) 3.904 2.065 ( -0.693 1.786 2.181) 2.903 2.121 ( -0.794 0.998 0.523) 1.379 2.168 ( -0.964 1.927 1.321) 2.528 2.251 ( -1.491 0.725 0.269) 1.680 2.271 ( 0.074 0.935 2.659) 2.819 2.366 ( -1.443 -3.249 -0.555) 3.598 2.417 ( -0.680 -0.166 0.822) 1.080 2.465 ( -1.882 -0.973 -1.860) 2.819 2.484 ( -2.431 1.087 -0.894) 2.810 2.535 ( 0.731 -0.085 0.770) 1.065 2.584 ( -0.616 -0.034 -1.187) 1.338 2.718 ( 1.147 -1.627 2.754) 3.398 2.810 ( -1.656 1.036 2.592) 3.246 2.978 ( -3.311 -1.274 -1.959) 4.052 3.059 ( -1.902 -1.096 -0.800) 2.336 3.064 ( 0.527 -2.045 0.697) 2.223 3.173 ( 0.266 -2.442 3.839) 4.558 3.203 ( -1.938 -3.253 3.132) 4.914 3.389 ( 1.503 -2.715 3.318) 4.543 3.411 ( -0.797 -2.327 2.969) 3.855 3.436 ( -0.176 0.129 3.093) 3.101 3.543 ( 1.666 -1.887 -1.525) 2.943 3.593 ( -0.578 -2.066 1.015) 2.374 3.631 ( -0.447 -4.391 -0.216) 4.419 3.696 ( 1.199 0.653 -7.012) 7.144 3.777 ( -0.497 -2.693 -2.003) 3.393 3.786 ( -2.358 -0.695 -0.053) 2.459 3.812 ( -2.668 -2.414 -1.728) 3.991 3.842 ( 1.191 -1.562 3.180) 3.737 3.942 ( -0.869 -1.989 -0.762) 2.301 3.968 ( -1.967 -1.000 -1.344) 2.583 3.993 ( -2.369 -3.042 -2.350) 4.515 4.017 ( -2.654 1.533 -2.215) 3.782 4.069 ( -1.454 0.290 3.484) 3.786 4.165 ( 1.851 -1.926 0.978) 2.845 4.188 ( 0.601 -0.740 2.999) 3.147 4.244 ( -2.922 4.036 -1.277) 5.143 4.340 ( -1.238 -2.283 1.048) 2.801 4.376 ( -2.305 -2.960 -0.705) 3.818 4.429 ( 2.028 2.343 -2.795) 4.174 4.486 ( 0.032 0.152 -1.917) 1.924 4.505 ( 1.592 3.362 1.598) 4.049 4.609 ( 0.626 4.309 0.560) 4.390 4.662 ( 2.737 1.356 -3.250) 4.460 4.717 ( 3.027 0.886 0.780) 3.249 4.813 ( 0.169 7.185 0.068) 7.188 4.844 ( 2.445 0.462 0.780) 2.608 4.925 ( 2.964 0.540 1.179) 3.235 5.031 ( 5.043 0.260 -3.136) 5.945 5.128 ( 2.355 -0.129 0.116) 2.361 5.161 ( 0.594 2.064 -0.783) 2.286 5.195 ( -1.814 1.278 1.155) 2.501 5.299 ( 0.897 -2.232 -2.672) 3.595 5.430 ( -0.131 -3.379 6.702) 7.506 5.677 ( -2.282 -3.812 -2.040) 4.889 5.756 ( 0.232 -0.533 -0.600) 0.835 5.837 ( 0.704 1.201 -1.122) 1.788 5.855 ( 2.627 -8.004 -0.449) 8.436 6.023 ( 1.899 -1.420 -4.226) 4.846 6.114 ( -1.629 0.439 3.321) 3.725 6.124 ( -3.658 3.026 2.560) 5.394 6.322 ( -3.357 1.579 -0.167) 3.714 6.379 ( -1.276 0.339 -1.046) 1.684 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 4.180 -1.866 -7.255) 8.578 0.585 ( 0.624 -0.581 -6.135) 6.194 0.665 ( -4.115 0.111 -3.239) 5.238 0.692 ( -1.135 2.362 -1.540) 3.040 0.716 ( -2.741 -1.576 -1.266) 3.406 0.804 ( 4.570 0.966 1.784) 5.000 0.853 ( -1.782 1.906 0.718) 2.707 0.872 ( 1.616 1.333 -5.276) 5.677 0.934 ( -0.649 1.718 -2.461) 3.071 0.972 ( 0.460 -0.428 -0.196) 0.658 0.989 ( -0.207 0.835 -1.820) 2.013 1.044 ( 0.508 0.258 -4.373) 4.410 1.054 ( -1.144 0.132 -0.239) 1.176 1.094 ( 0.695 -1.338 -2.744) 3.131 1.136 ( -0.644 -1.110 -1.580) 2.035 1.165 ( -0.305 -0.126 4.634) 4.645 1.196 ( -0.132 -2.005 1.087) 2.285 1.268 ( -1.245 -2.465 -0.792) 2.873 1.296 ( -0.334 -2.074 1.051) 2.349 1.331 ( -0.504 -0.298 1.614) 1.717 1.379 ( 0.324 0.710 1.414) 1.615 1.483 ( 5.487 2.600 -0.068) 6.073 1.527 ( 0.376 -5.808 -5.765) 8.192 1.587 ( -2.949 -3.470 -1.675) 4.852 1.623 ( 0.576 -0.957 3.001) 3.203 1.681 ( -4.411 2.404 3.285) 6.002 1.760 ( 0.922 1.948 -0.412) 2.194 1.812 ( 3.731 -0.911 1.351) 4.072 1.870 ( 0.359 -0.857 -2.259) 2.442 1.892 ( -0.317 -0.019 -1.193) 1.235 1.971 ( 0.305 2.430 3.140) 3.982 2.005 ( -0.853 -1.157 4.440) 4.667 2.022 ( 2.237 1.967 1.900) 3.533 2.072 ( 0.531 0.034 0.827) 0.983 2.104 ( -0.810 0.497 2.366) 2.550 2.165 ( -0.576 -0.325 -0.753) 1.002 2.245 ( -0.485 1.377 -0.444) 1.526 2.267 ( 0.667 1.283 0.952) 1.731 2.348 ( -1.517 -1.728 -1.006) 2.510 2.370 ( -4.351 -2.487 2.180) 5.465 2.419 ( 1.317 1.193 -2.231) 2.852 2.479 ( 0.439 1.583 -2.871) 3.308 2.546 ( 0.744 -0.830 0.118) 1.121 2.587 ( 0.390 -0.527 -0.823) 1.052 2.754 ( 1.733 -0.611 5.234) 5.547 2.796 ( 0.752 1.747 5.385) 5.711 2.920 ( -2.272 -0.898 -2.260) 3.329 3.009 ( -1.805 -0.335 -5.374) 5.679 3.100 ( 1.602 -6.420 3.586) 7.526 3.176 ( -1.007 -2.608 1.917) 3.390 3.198 ( 2.278 -0.984 4.703) 5.318 3.365 ( -2.405 -0.461 2.714) 3.655 3.408 ( -0.448 -5.268 2.089) 5.685 3.438 ( -0.748 -1.112 3.717) 3.952 3.534 ( -0.405 -0.430 -1.943) 2.031 3.615 ( 1.815 -4.636 0.901) 5.059 3.623 ( -0.603 -4.304 -1.752) 4.686 3.716 ( 0.102 0.073 -6.211) 6.212 3.751 ( 0.288 1.011 -0.245) 1.079 3.770 ( -0.506 -3.106 0.743) 3.234 3.819 ( 1.912 -3.024 -2.734) 4.502 3.875 ( 1.695 -2.283 3.119) 4.220 3.900 ( -1.553 0.808 -1.632) 2.393 3.927 ( -0.351 0.611 -4.937) 4.987 3.948 ( -1.014 -0.014 -1.430) 1.753 4.033 ( 0.444 -3.014 0.777) 3.144 4.082 ( 1.949 -1.444 4.105) 4.768 4.176 ( -1.819 -4.246 -0.644) 4.664 4.197 ( 0.676 -2.831 -1.574) 3.309 4.211 ( 0.329 2.426 1.160) 2.709 4.285 ( -2.008 -1.699 1.336) 2.950 4.343 ( -0.893 1.633 -1.156) 2.191 4.463 ( 0.775 -1.695 -1.361) 2.307 4.514 ( 1.738 4.498 -0.497) 4.848 4.554 ( 2.320 2.281 3.630) 4.875 4.600 ( -1.070 1.984 -1.882) 2.937 4.674 ( -3.173 5.862 -0.438) 6.680 4.728 ( 0.951 1.624 -0.711) 2.012 4.812 ( 0.772 4.725 2.228) 5.281 4.874 ( -0.402 0.273 -1.334) 1.420 4.964 ( -0.491 5.440 -0.105) 5.463 5.083 ( -0.140 0.260 -4.675) 4.685 5.121 ( -0.771 -0.549 0.886) 1.296 5.180 ( 1.078 0.263 -0.516) 1.224 5.223 ( 4.084 -0.157 1.210) 4.263 5.289 ( -2.171 0.133 -4.302) 4.820 5.418 ( -0.962 -4.608 8.107) 9.375 5.651 ( -0.328 -5.605 -1.912) 5.932 5.759 ( 0.439 -0.615 0.054) 0.758 5.838 ( -1.865 -0.398 -2.639) 3.256 5.895 ( 2.217 -1.697 2.206) 3.558 6.000 ( -3.150 -3.007 -2.552) 5.047 6.071 ( -0.752 0.343 1.341) 1.575 6.168 ( 5.293 1.811 -2.043) 5.956 6.266 ( -1.821 1.211 3.496) 4.124 6.366 ( -0.121 0.164 -0.946) 0.968 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -8.648 3.038 -3.874) 9.951 0.592 ( -1.697 2.133 -4.155) 4.969 0.607 ( -3.437 -1.196 -1.736) 4.032 0.642 ( -0.347 -1.444 -0.058) 1.487 0.754 ( 4.004 -0.683 -1.945) 4.503 0.825 ( -1.052 2.254 -2.368) 3.434 0.850 ( -0.126 1.452 -1.888) 2.385 0.868 ( -2.510 2.660 -1.743) 4.051 0.938 ( 0.145 0.217 -1.714) 1.734 0.978 ( 0.678 -0.261 -1.412) 1.588 0.997 ( 0.917 -0.548 -1.793) 2.087 1.033 ( -0.182 1.153 -0.607) 1.316 1.063 ( 1.361 -0.381 -1.631) 2.158 1.113 ( 0.425 -1.532 -0.950) 1.852 1.122 ( -1.662 -0.107 -0.800) 1.848 1.170 ( 0.727 -0.109 2.395) 2.506 1.187 ( -0.413 0.042 1.141) 1.214 1.220 ( -3.377 -1.925 1.676) 4.233 1.277 ( -1.256 -4.343 -0.686) 4.573 1.304 ( -2.013 1.383 2.071) 3.202 1.354 ( -3.968 2.486 2.695) 5.403 1.422 ( -8.659 1.685 3.840) 9.621 1.516 ( -1.908 -3.622 -4.243) 5.896 1.530 ( -2.465 0.370 0.188) 2.500 1.587 ( -1.839 -0.275 -4.314) 4.698 1.615 ( -0.701 -2.827 -0.612) 2.976 1.780 ( -0.396 -1.325 -4.018) 4.249 1.798 ( -5.713 -3.908 -2.664) 7.417 1.894 ( 2.477 0.729 0.167) 2.588 1.914 ( 0.262 0.027 0.024) 0.264 1.979 ( -0.599 1.941 0.687) 2.145 2.017 ( 2.069 0.601 4.770) 5.234 2.057 ( 0.340 1.485 2.095) 2.591 2.073 ( 1.861 -0.735 2.619) 3.296 2.129 ( 1.171 -0.340 2.596) 2.868 2.147 ( 1.121 0.645 -0.628) 1.438 2.250 ( -1.668 3.688 -2.420) 4.716 2.261 ( 1.699 3.729 0.739) 4.164 2.294 ( -2.329 -1.575 4.659) 5.442 2.358 ( 2.288 -3.267 -1.123) 4.143 2.468 ( 0.503 -0.222 -0.413) 0.688 2.483 ( 1.230 -0.500 -0.964) 1.641 2.565 ( 1.405 -0.172 0.419) 1.476 2.609 ( 2.092 0.397 -1.299) 2.494 2.765 ( -0.024 1.566 5.260) 5.489 2.839 ( 2.627 1.360 3.815) 4.828 2.906 ( 1.013 -0.299 -1.614) 1.929 2.998 ( 1.048 -2.362 -3.849) 4.636 3.119 ( 0.181 -3.457 2.343) 4.180 3.166 ( 0.125 -5.219 1.178) 5.352 3.240 ( 1.678 -3.085 5.529) 6.550 3.323 ( -1.970 -2.078 1.901) 3.437 3.403 ( -1.094 1.901 3.499) 4.129 3.406 ( -0.190 -6.001 1.948) 6.312 3.542 ( 0.173 2.505 -2.042) 3.236 3.624 ( 0.422 -6.154 0.045) 6.169 3.637 ( 0.171 -5.601 -1.376) 5.770 3.686 ( -1.389 -1.588 -4.540) 5.007 3.771 ( 0.667 -3.113 0.820) 3.288 3.783 ( 1.076 0.285 1.255) 1.677 3.847 ( 1.764 -1.028 -3.712) 4.237 3.882 ( 1.103 0.965 -2.146) 2.599 3.934 ( 2.413 1.926 1.244) 3.328 3.952 ( 1.796 -0.755 0.794) 2.104 3.968 ( 0.371 0.644 0.584) 0.945 4.009 ( 1.664 -0.400 -1.121) 2.046 4.101 ( -0.732 -3.186 -4.884) 5.877 4.166 ( 1.778 -1.611 2.701) 3.612 4.206 ( -1.142 -0.699 0.928) 1.629 4.244 ( 2.748 0.816 1.224) 3.117 4.274 ( 1.424 -3.735 3.829) 5.535 4.355 ( 2.038 1.603 -2.557) 3.642 4.466 ( -0.650 -2.079 -3.896) 4.464 4.498 ( -2.858 2.504 2.167) 4.374 4.534 ( -3.360 3.948 0.232) 5.189 4.591 ( -0.303 -2.914 -4.026) 4.979 4.655 ( 0.712 2.101 1.076) 2.465 4.720 ( -1.511 3.205 0.988) 3.678 4.790 ( -4.210 2.549 0.248) 4.928 4.876 ( 0.915 4.299 -0.597) 4.436 4.899 ( -5.287 5.631 1.774) 7.926 5.069 ( -1.932 2.285 -3.391) 4.522 5.096 ( -0.586 1.403 -0.985) 1.811 5.180 ( -1.895 -0.034 0.542) 1.972 5.242 ( -2.469 -1.517 -1.039) 3.079 5.278 ( 1.166 0.133 -1.402) 1.828 5.427 ( 2.264 -2.842 8.126) 8.901 5.650 ( 0.008 -6.045 -3.102) 6.795 5.777 ( 0.921 0.469 0.677) 1.236 5.794 ( -1.541 -2.063 -1.349) 2.907 5.878 ( -3.959 -4.085 -2.207) 6.101 5.968 ( 0.137 -2.585 -0.678) 2.675 6.097 ( 2.772 1.894 1.836) 3.827 6.251 ( 1.307 -0.458 4.482) 4.691 6.285 ( 5.255 2.214 -3.205) 6.541 6.374 ( 0.870 0.964 -1.091) 1.696 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -1.448 10.040 3.427) 10.707 0.465 ( -6.625 5.805 5.092) 10.175 0.609 ( 0.062 -0.465 -5.550) 5.570 0.658 ( 1.448 -1.852 -1.366) 2.719 0.741 ( -7.664 5.227 -0.287) 9.281 0.799 ( -0.346 -0.634 -0.464) 0.859 0.830 ( -0.260 2.971 -0.211) 2.990 0.839 ( -2.191 1.051 -2.597) 3.557 0.921 ( -0.742 0.401 -0.026) 0.844 0.965 ( -4.238 5.372 1.512) 7.007 0.977 ( -0.798 0.977 -1.337) 1.839 1.029 ( -2.503 0.776 -1.524) 3.031 1.078 ( 0.883 -1.208 1.051) 1.829 1.085 ( -0.722 -2.297 -2.444) 3.430 1.123 ( 0.590 -1.026 0.969) 1.530 1.156 ( -1.084 -1.506 0.815) 2.026 1.191 ( 0.615 -0.782 2.854) 3.023 1.206 ( 0.973 0.492 1.170) 1.599 1.248 ( -1.769 -1.339 -2.133) 3.078 1.262 ( -0.313 0.905 4.722) 4.818 1.289 ( 0.681 2.300 2.431) 3.415 1.349 ( -1.946 -1.005 -0.113) 2.193 1.461 ( -3.077 -2.399 -5.664) 6.878 1.477 ( -1.878 -0.224 -0.674) 2.007 1.567 ( -1.954 -0.551 -1.589) 2.578 1.617 ( 1.231 -3.824 -6.910) 7.993 1.671 ( -6.057 -4.801 -3.593) 8.523 1.753 ( -1.736 0.111 -6.148) 6.389 1.904 ( -0.197 1.502 -1.219) 1.945 1.925 ( 0.838 -0.680 2.240) 2.486 1.950 ( -2.785 3.342 -0.274) 4.359 2.035 ( 1.165 -1.996 2.811) 3.639 2.078 ( -1.026 -0.304 2.325) 2.560 2.096 ( 0.710 0.968 1.135) 1.652 2.127 ( 0.706 0.954 0.337) 1.234 2.184 ( -0.424 0.713 1.342) 1.577 2.242 ( 2.982 1.465 1.710) 3.736 2.284 ( 1.718 2.473 2.209) 3.735 2.332 ( 3.309 2.787 2.387) 4.941 2.393 ( 1.093 -2.572 0.273) 2.808 2.444 ( -1.586 -1.117 -0.212) 1.951 2.507 ( 0.438 -2.099 0.878) 2.317 2.589 ( 0.757 -0.445 1.921) 2.112 2.656 ( 2.397 0.793 -1.897) 3.158 2.760 ( -0.580 -0.161 1.714) 1.816 2.868 ( 0.274 -0.741 -1.788) 1.955 2.951 ( 3.280 0.356 0.348) 3.318 3.054 ( 2.562 -2.608 1.690) 4.027 3.128 ( 3.178 1.022 1.646) 3.722 3.180 ( 1.038 -8.316 1.852) 8.583 3.269 ( 0.694 -5.777 0.716) 5.863 3.293 ( 0.454 -2.150 3.736) 4.334 3.387 ( -0.985 -2.526 2.896) 3.967 3.411 ( -0.282 1.828 2.022) 2.741 3.529 ( -0.693 2.198 -1.293) 2.643 3.607 ( -1.147 -1.739 -4.225) 4.711 3.630 ( -0.153 -6.634 0.143) 6.638 3.714 ( 2.503 -2.999 0.132) 3.909 3.776 ( 0.807 -2.387 1.266) 2.820 3.797 ( 0.676 -1.338 1.648) 2.228 3.875 ( 0.908 1.054 -1.233) 1.860 3.921 ( 1.961 2.516 -0.961) 3.331 3.929 ( -2.099 2.531 0.425) 3.315 3.968 ( 0.861 2.579 2.234) 3.520 3.994 ( 2.238 -2.081 -0.931) 3.195 4.098 ( 4.790 0.211 0.498) 4.820 4.133 ( 5.007 -1.522 -1.746) 5.517 4.153 ( -2.144 -1.133 -0.664) 2.514 4.221 ( 2.195 -1.249 1.008) 2.720 4.272 ( 0.711 3.400 1.030) 3.623 4.335 ( 2.446 -5.030 1.637) 5.827 4.380 ( -1.827 -0.019 -2.573) 3.155 4.437 ( 0.917 -1.152 -0.190) 1.484 4.468 ( -1.300 1.735 -4.875) 5.335 4.489 ( 0.024 1.126 -0.182) 1.140 4.575 ( -2.794 -1.921 -3.762) 5.064 4.601 ( -6.015 2.337 -0.283) 6.459 4.680 ( -2.377 -0.704 0.727) 2.584 4.720 ( -1.995 0.506 -1.589) 2.600 4.811 ( -2.328 6.730 3.826) 8.084 4.856 ( -3.238 1.866 1.078) 3.890 5.008 ( -4.081 3.921 -3.820) 6.828 5.089 ( -0.512 -2.250 0.967) 2.502 5.169 ( -4.193 -0.475 4.110) 5.891 5.193 ( 3.137 3.382 -1.569) 4.872 5.280 ( -0.630 0.996 -1.144) 1.643 5.463 ( 0.646 -0.977 6.360) 6.467 5.644 ( -1.841 -6.472 -3.861) 7.758 5.754 ( -1.749 -3.616 0.878) 4.112 5.796 ( -1.128 0.074 -0.912) 1.452 5.825 ( 0.609 -5.139 0.107) 5.177 5.974 ( 0.294 -1.928 -2.010) 2.801 6.150 ( 2.342 3.400 2.912) 5.052 6.252 ( -0.807 -0.579 3.824) 3.951 6.378 ( 2.041 0.616 -1.694) 2.723 6.410 ( 4.141 2.766 -4.748) 6.881 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -0.945 5.248 1.867) 5.649 0.593 ( 1.273 0.390 -1.560) 2.051 0.636 ( 0.826 7.828 3.673) 8.686 0.689 ( 1.419 0.305 -0.186) 1.463 0.714 ( -1.032 -0.432 -1.109) 1.575 0.815 ( -0.915 0.508 -3.029) 3.204 0.875 ( -0.963 4.175 0.429) 4.306 0.889 ( 2.210 4.168 0.545) 4.749 0.945 ( 0.346 1.850 -0.014) 1.883 0.971 ( -0.600 1.453 -3.159) 3.529 1.008 ( -0.873 0.886 -0.649) 1.403 1.038 ( 0.173 1.383 -3.040) 3.344 1.061 ( 0.824 -1.195 1.944) 2.426 1.088 ( -1.428 -2.432 0.133) 2.823 1.107 ( 1.453 2.469 0.570) 2.921 1.132 ( -0.061 -2.175 -0.965) 2.380 1.140 ( 1.308 -0.945 1.030) 1.915 1.214 ( -1.468 -1.642 0.177) 2.209 1.233 ( -1.089 1.587 0.992) 2.165 1.285 ( 1.044 -0.722 0.671) 1.436 1.305 ( -1.706 0.371 -0.039) 1.746 1.370 ( 2.828 0.453 -1.401) 3.189 1.387 ( 1.396 -2.842 -2.016) 3.754 1.418 ( -0.259 1.737 5.428) 5.705 1.450 ( 0.143 -5.274 1.075) 5.385 1.536 ( -3.160 4.047 -0.931) 5.218 1.668 ( 0.719 0.148 -3.929) 3.997 1.749 ( -1.565 3.686 -8.647) 9.529 1.910 ( 0.157 -6.225 1.495) 6.404 1.950 ( -0.296 2.502 0.207) 2.528 1.982 ( -2.000 -1.399 -1.817) 3.043 1.990 ( 1.478 1.587 -0.659) 2.267 2.022 ( 0.931 -0.053 0.755) 1.200 2.091 ( -1.411 -1.114 -2.732) 3.270 2.155 ( 0.664 0.155 2.484) 2.575 2.175 ( 0.471 -1.182 1.385) 1.881 2.283 ( -2.196 -3.615 1.883) 4.630 2.322 ( 0.511 -4.709 2.545) 5.377 2.358 ( 1.096 3.766 4.061) 5.646 2.418 ( -0.402 0.252 0.519) 0.703 2.431 ( 2.135 1.847 -1.694) 3.292 2.493 ( 0.451 0.059 -1.877) 1.931 2.603 ( -1.317 1.792 1.932) 2.946 2.678 ( -0.439 -0.664 -0.153) 0.810 2.751 ( -1.046 1.186 -1.673) 2.302 2.779 ( -0.487 -3.041 -3.561) 4.709 2.954 ( 0.460 -7.204 2.074) 7.511 2.992 ( 0.001 -4.991 -0.365) 5.005 3.045 ( 0.387 -0.371 3.596) 3.636 3.130 ( -0.262 -3.675 0.867) 3.785 3.190 ( 0.971 1.152 3.544) 3.851 3.321 ( 3.610 -2.876 0.072) 4.616 3.362 ( -0.873 3.042 3.605) 4.798 3.469 ( -1.498 -1.126 -2.681) 3.271 3.501 ( -1.210 -0.576 0.033) 1.340 3.518 ( 2.144 0.898 -1.106) 2.574 3.620 ( 0.100 -1.480 -4.956) 5.173 3.674 ( 2.258 -2.655 4.702) 5.853 3.735 ( -0.874 -3.035 -2.335) 3.927 3.795 ( 0.815 -3.100 2.379) 3.992 3.893 ( -1.575 -0.806 1.006) 2.035 3.908 ( -2.597 1.937 -0.892) 3.360 3.990 ( -2.506 0.195 -0.745) 2.621 3.994 ( 1.659 -4.535 3.097) 5.737 4.071 ( 2.850 1.421 -4.089) 5.183 4.098 ( 5.059 3.165 0.769) 6.017 4.121 ( -2.381 -0.842 -0.606) 2.597 4.183 ( -0.833 -0.414 -0.509) 1.061 4.237 ( -2.723 0.215 -2.182) 3.496 4.246 ( -1.441 0.175 2.072) 2.530 4.344 ( 0.230 2.136 2.156) 3.044 4.384 ( 0.377 2.779 -0.745) 2.902 4.421 ( -1.254 -2.669 0.501) 2.991 4.488 ( 1.015 -0.861 -1.614) 2.092 4.514 ( 3.941 -0.980 -5.274) 6.656 4.550 ( 1.763 -1.421 1.292) 2.607 4.560 ( 0.555 0.303 3.122) 3.186 4.645 ( 1.527 3.644 -0.834) 4.038 4.669 ( -1.501 -1.454 -3.815) 4.350 4.772 ( -1.682 -2.517 1.930) 3.591 4.895 ( -2.675 5.541 -0.243) 6.158 5.009 ( -1.273 0.879 -3.315) 3.658 5.076 ( -0.250 2.138 4.000) 4.543 5.147 ( -1.712 3.798 7.251) 8.363 5.279 ( -0.087 -0.463 -1.657) 1.723 5.353 ( 1.091 4.145 -2.058) 4.754 5.448 ( 0.218 -0.049 2.756) 2.766 5.508 ( 0.451 -4.347 1.963) 4.791 5.692 ( 0.152 -1.726 0.081) 1.734 5.750 ( 0.999 -3.760 0.192) 3.895 5.818 ( -0.417 1.803 -1.715) 2.523 5.919 ( 0.743 -3.227 -5.707) 6.598 6.234 ( -1.173 2.956 4.811) 5.767 6.291 ( 0.423 3.742 1.544) 4.070 6.375 ( -0.251 -2.214 -0.890) 2.399 6.433 ( 0.071 -2.935 -2.807) 4.062 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.116 6.056 0.155) 6.059 0.610 ( 0.172 0.058 -1.161) 1.175 0.622 ( -1.090 5.656 -1.174) 5.878 0.702 ( 0.975 -0.569 0.921) 1.457 0.735 ( 1.687 1.324 0.536) 2.211 0.817 ( 1.539 1.166 -3.570) 4.059 0.869 ( -0.281 3.489 0.006) 3.500 0.928 ( 1.247 0.204 0.147) 1.272 0.954 ( 1.101 1.860 -1.462) 2.609 0.974 ( -0.338 2.323 -2.306) 3.290 0.991 ( -1.209 0.751 -1.967) 2.427 1.043 ( 1.369 0.273 -1.574) 2.104 1.062 ( -0.744 0.337 -0.328) 0.880 1.095 ( 2.120 -1.020 1.758) 2.937 1.117 ( -0.954 -1.053 -1.620) 2.155 1.138 ( 0.187 -0.419 -0.705) 0.841 1.178 ( -0.607 -1.684 1.828) 2.559 1.195 ( 1.375 -0.041 0.924) 1.657 1.239 ( 2.220 -1.002 1.145) 2.691 1.289 ( -0.974 -2.659 -2.680) 3.899 1.312 ( 3.057 -1.583 2.220) 4.096 1.387 ( 0.441 -1.830 0.066) 1.884 1.421 ( 3.221 5.132 3.015) 6.768 1.467 ( 1.199 -1.084 -1.218) 2.024 1.480 ( 4.622 1.151 1.743) 5.072 1.527 ( 2.996 0.456 1.299) 3.297 1.665 ( -1.000 -2.500 -3.841) 4.691 1.745 ( 1.964 5.386 -6.978) 9.031 1.898 ( -1.633 -5.505 0.089) 5.743 1.945 ( -0.933 -2.875 0.980) 3.177 1.952 ( 0.046 3.477 -2.270) 4.153 2.000 ( -0.146 0.971 0.370) 1.050 2.047 ( 2.088 0.869 1.565) 2.750 2.085 ( 0.150 -0.881 -1.412) 1.671 2.142 ( -1.219 0.323 0.535) 1.370 2.201 ( 0.613 -2.102 1.890) 2.893 2.227 ( -2.541 -3.661 2.192) 4.966 2.318 ( -1.353 -3.712 2.566) 4.711 2.345 ( -2.230 1.949 2.989) 4.208 2.414 ( -0.404 -0.739 1.639) 1.842 2.469 ( 0.898 0.925 -1.555) 2.020 2.497 ( 0.793 0.112 -4.035) 4.114 2.567 ( -2.030 2.066 2.271) 3.681 2.649 ( -2.522 -0.113 -0.875) 2.672 2.729 ( -1.293 2.061 -1.572) 2.896 2.783 ( 0.995 -2.109 -1.630) 2.845 2.958 ( 0.172 -5.869 2.156) 6.255 2.981 ( -0.819 -4.361 -1.841) 4.804 3.060 ( 0.293 -2.125 2.988) 3.678 3.127 ( -0.353 -4.412 1.296) 4.612 3.189 ( -1.443 3.556 2.614) 4.643 3.324 ( -1.190 0.156 3.561) 3.758 3.397 ( 1.897 -1.499 5.043) 5.592 3.453 ( 0.822 0.214 0.452) 0.962 3.463 ( -1.287 -1.556 -1.504) 2.518 3.542 ( 0.623 1.927 -1.624) 2.596 3.603 ( -1.860 -4.222 -4.301) 6.307 3.706 ( -2.696 -0.604 -2.186) 3.523 3.727 ( 2.592 -3.545 3.554) 5.649 3.761 ( -3.440 -2.426 1.589) 4.500 3.800 ( -4.558 -0.989 -1.621) 4.938 3.892 ( -0.620 0.069 0.136) 0.638 3.940 ( -3.350 -0.272 -3.207) 4.646 4.000 ( -5.620 -0.804 -0.362) 5.689 4.031 ( -3.910 -5.035 -1.741) 6.609 4.061 ( -1.439 0.841 1.655) 2.349 4.113 ( -3.362 -2.086 1.095) 4.105 4.142 ( -1.191 0.429 -2.942) 3.203 4.196 ( -0.496 2.129 1.400) 2.596 4.267 ( 2.880 2.372 6.392) 7.402 4.354 ( -0.757 2.102 -0.765) 2.361 4.390 ( 0.845 -0.295 -2.286) 2.454 4.447 ( 1.294 -0.955 -1.877) 2.471 4.472 ( -1.886 2.395 -2.650) 4.039 4.531 ( 2.585 -1.501 -3.162) 4.351 4.608 ( 5.586 -0.692 -0.342) 5.639 4.660 ( 1.563 0.982 1.790) 2.572 4.694 ( 2.969 4.791 1.953) 5.965 4.755 ( 9.052 0.585 -1.472) 9.190 4.794 ( 5.181 -2.896 0.403) 5.950 4.886 ( 1.597 4.123 -2.529) 5.094 5.009 ( 0.947 -0.201 0.865) 1.299 5.072 ( -0.039 2.199 6.110) 6.494 5.157 ( 3.040 1.470 1.087) 3.548 5.289 ( 0.790 1.718 -1.713) 2.552 5.332 ( -3.425 3.037 -1.490) 4.814 5.408 ( -3.715 0.323 2.718) 4.615 5.550 ( 2.301 -8.287 -0.082) 8.601 5.690 ( 0.469 -0.831 1.033) 1.406 5.766 ( 0.312 -3.404 1.024) 3.569 5.812 ( 0.393 2.316 -2.605) 3.507 5.943 ( 1.571 -3.335 -5.467) 6.594 6.196 ( -2.724 2.977 4.376) 5.952 6.272 ( -2.593 3.714 2.230) 5.049 6.353 ( -1.754 -2.225 -0.917) 2.978 6.412 ( -2.022 -2.046 -2.013) 3.511 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -0.328 4.407 -2.976) 5.327 0.594 ( -0.764 1.071 -3.672) 3.901 0.650 ( 2.281 0.553 -2.823) 3.672 0.696 ( -1.129 -2.772 -1.658) 3.421 0.783 ( 3.299 4.436 1.639) 5.766 0.836 ( -2.924 3.043 -0.982) 4.333 0.865 ( 2.780 1.515 -2.737) 4.185 0.930 ( -1.555 2.400 -2.754) 3.970 0.960 ( 0.907 -0.258 -0.337) 1.002 0.973 ( 0.138 1.744 -0.907) 1.970 1.005 ( 2.150 0.435 -2.444) 3.284 1.037 ( -0.537 0.868 -0.846) 1.325 1.076 ( 0.018 -0.109 -2.817) 2.819 1.097 ( -1.148 -1.291 -2.754) 3.251 1.119 ( 1.036 -2.171 1.743) 2.971 1.124 ( -2.488 0.153 -1.823) 3.088 1.146 ( 0.043 -1.260 2.627) 2.914 1.230 ( -0.323 -3.654 -0.202) 3.674 1.255 ( -1.813 -2.274 -0.309) 2.925 1.283 ( 2.792 -2.644 1.588) 4.160 1.381 ( 2.237 1.528 6.856) 7.372 1.407 ( 1.231 -2.571 -2.036) 3.503 1.454 ( 1.447 -1.308 -1.381) 2.390 1.532 ( 2.449 2.013 1.286) 3.421 1.583 ( 5.258 1.751 0.125) 5.544 1.631 ( 8.692 2.567 2.587) 9.425 1.670 ( 2.073 -2.564 -2.936) 4.415 1.803 ( 3.322 2.271 -2.323) 4.647 1.863 ( -2.032 -3.366 -0.756) 4.004 1.932 ( -0.365 -3.919 1.040) 4.071 1.951 ( -0.476 2.698 -1.721) 3.235 2.010 ( 1.163 1.155 2.869) 3.305 2.057 ( -2.015 1.769 0.003) 2.681 2.100 ( 1.231 1.380 0.813) 2.020 2.120 ( -0.732 -1.845 0.076) 1.986 2.178 ( -0.330 -2.191 1.569) 2.715 2.232 ( 0.631 -2.918 0.858) 3.106 2.261 ( -3.099 0.914 4.148) 5.258 2.300 ( -2.254 -2.501 2.046) 3.940 2.384 ( -2.968 -2.237 2.057) 4.248 2.469 ( -0.150 1.194 -3.338) 3.548 2.520 ( 0.850 -0.332 -3.435) 3.554 2.544 ( -0.213 2.006 0.648) 2.119 2.596 ( -2.518 1.054 -1.858) 3.302 2.709 ( -0.485 1.143 -0.407) 1.306 2.812 ( 1.894 -0.253 0.525) 1.981 2.950 ( -1.905 -3.562 -1.577) 4.336 2.968 ( 0.102 -4.138 2.662) 4.921 3.035 ( -2.845 -1.919 1.088) 3.600 3.127 ( 0.598 -3.933 1.300) 4.185 3.149 ( -1.884 2.063 3.141) 4.204 3.308 ( -1.536 -2.840 2.115) 3.860 3.401 ( -0.845 -0.996 6.103) 6.241 3.421 ( -1.108 -0.927 2.435) 2.832 3.528 ( 2.518 -0.397 -1.084) 2.770 3.544 ( -0.727 -0.176 -1.174) 1.392 3.569 ( 0.144 -2.858 -1.146) 3.082 3.667 ( -0.041 -0.592 -2.605) 2.672 3.709 ( -2.815 -4.338 0.769) 5.228 3.719 ( -2.552 -3.053 -4.444) 5.965 3.774 ( 1.159 -1.429 3.199) 3.690 3.858 ( -2.831 2.607 -3.224) 5.021 3.883 ( -0.994 -2.424 1.072) 2.830 3.919 ( -0.872 -2.408 -2.331) 3.463 3.957 ( -3.029 -2.400 -1.499) 4.145 4.023 ( -3.696 -2.801 -0.082) 4.638 4.061 ( -1.081 0.663 2.759) 3.037 4.143 ( -0.220 -0.391 -0.575) 0.729 4.180 ( -2.394 -0.034 1.690) 2.931 4.272 ( -1.412 -1.915 -2.297) 3.308 4.329 ( -0.772 1.643 1.917) 2.640 4.372 ( -1.821 3.754 -2.300) 4.764 4.428 ( 0.014 -1.193 -3.664) 3.853 4.539 ( 3.593 5.319 -2.127) 6.762 4.593 ( 3.560 2.184 0.508) 4.207 4.648 ( -0.933 -1.942 0.445) 2.200 4.724 ( 5.521 0.771 0.485) 5.596 4.750 ( 2.343 2.795 4.039) 5.442 4.878 ( 3.054 4.524 -3.215) 6.335 4.903 ( 4.633 1.114 1.484) 4.991 4.963 ( 6.831 2.988 -2.126) 7.753 5.061 ( 4.528 0.150 2.348) 5.103 5.079 ( 0.621 -0.806 3.214) 3.371 5.211 ( -4.202 2.046 -0.083) 4.674 5.257 ( 2.108 0.372 -1.565) 2.652 5.266 ( -3.859 2.532 -2.480) 5.240 5.356 ( -1.175 -3.105 3.636) 4.924 5.538 ( -3.023 -8.560 -2.535) 9.425 5.739 ( 3.451 -2.300 1.118) 4.296 5.756 ( -0.423 -0.341 0.483) 0.727 5.848 ( 2.684 0.701 -2.009) 3.425 5.963 ( 0.126 -3.615 -3.168) 4.808 6.154 ( -0.544 2.810 2.202) 3.611 6.196 ( -4.919 3.146 2.290) 6.273 6.319 ( -1.970 -1.265 0.245) 2.354 6.368 ( -2.194 -1.501 -0.993) 2.838 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 1.121 0.209 -5.243) 5.366 0.576 ( -0.634 -0.353 -4.802) 4.856 0.666 ( -0.672 0.100 -3.847) 3.907 0.690 ( -0.076 -0.667 -2.090) 2.196 0.775 ( -2.328 4.814 -0.233) 5.352 0.853 ( 3.050 3.450 1.679) 4.902 0.895 ( -0.285 1.976 -1.377) 2.425 0.921 ( 0.919 1.928 -2.240) 3.095 0.957 ( 0.082 1.075 -2.288) 2.529 0.977 ( -0.518 0.521 -2.460) 2.567 1.026 ( -0.909 2.024 -1.412) 2.630 1.045 ( 1.343 -0.458 -2.252) 2.661 1.059 ( -2.441 0.990 0.099) 2.636 1.080 ( -0.181 -0.934 -3.372) 3.504 1.100 ( 1.176 -1.228 -1.166) 2.061 1.133 ( 0.660 -2.535 -0.036) 2.620 1.155 ( 0.678 -0.431 2.578) 2.700 1.192 ( -2.308 -4.010 -2.652) 5.333 1.231 ( -1.416 -3.605 1.473) 4.143 1.323 ( 0.940 -3.891 1.839) 4.405 1.391 ( -0.230 2.993 5.815) 6.544 1.426 ( 0.342 -2.464 -1.220) 2.770 1.480 ( 0.459 -3.328 -0.631) 3.418 1.542 ( -1.012 -1.057 0.339) 1.502 1.652 ( 1.509 2.641 0.019) 3.042 1.713 ( 1.793 -0.148 -0.895) 2.009 1.786 ( 2.819 -1.072 0.648) 3.085 1.798 ( -1.858 0.907 -1.030) 2.310 1.837 ( -1.575 0.774 1.983) 2.648 1.927 ( -0.023 0.430 -2.653) 2.688 1.950 ( 1.318 -1.882 3.395) 4.100 2.016 ( -0.759 0.804 0.860) 1.401 2.044 ( 1.097 0.904 1.905) 2.377 2.106 ( 1.354 0.988 1.432) 2.204 2.111 ( -0.537 1.108 0.314) 1.271 2.160 ( -4.232 0.218 0.109) 4.239 2.212 ( 2.351 -3.009 1.155) 3.990 2.278 ( 0.813 -0.096 0.889) 1.208 2.297 ( 0.537 -3.099 3.736) 4.883 2.314 ( -1.617 -2.622 2.622) 4.046 2.460 ( -0.867 2.343 -3.288) 4.129 2.514 ( -1.572 0.356 -2.919) 3.334 2.553 ( 1.134 1.517 -1.938) 2.710 2.579 ( 1.114 0.159 -1.725) 2.059 2.726 ( 2.496 -0.415 1.280) 2.836 2.854 ( 2.473 0.293 2.110) 3.264 2.901 ( -2.806 -0.087 -1.254) 3.075 2.964 ( -1.563 -2.890 1.183) 3.492 2.984 ( -0.995 -3.330 1.776) 3.903 3.121 ( -0.422 -1.041 -0.526) 1.240 3.159 ( 1.649 -3.396 4.884) 6.173 3.259 ( -2.654 -5.560 -0.653) 6.195 3.365 ( -2.221 -0.155 4.268) 4.814 3.424 ( 0.468 -1.555 4.642) 4.918 3.526 ( -0.208 -1.582 -1.414) 2.132 3.544 ( -0.193 -0.403 -1.375) 1.446 3.574 ( -0.384 -0.293 -0.916) 1.035 3.656 ( -1.664 -4.749 -0.207) 5.036 3.691 ( 0.719 -1.657 -1.713) 2.489 3.719 ( 1.743 -3.239 -0.766) 3.758 3.792 ( 1.314 -0.404 1.860) 2.313 3.857 ( 1.924 1.039 -0.066) 2.187 3.879 ( 1.058 -1.690 0.190) 2.003 3.919 ( 0.611 -1.353 -0.682) 1.634 3.959 ( 2.358 -2.841 -2.190) 4.293 3.968 ( -1.112 -0.297 -2.139) 2.429 4.043 ( -1.642 -1.771 0.020) 2.415 4.095 ( -2.562 -3.183 -2.024) 4.560 4.158 ( 0.942 0.597 1.482) 1.854 4.253 ( -0.479 -0.601 -3.177) 3.269 4.311 ( -1.830 2.639 2.095) 3.835 4.351 ( 0.113 -1.267 -0.599) 1.406 4.457 ( 2.524 3.683 -2.456) 5.096 4.537 ( -2.573 1.606 -4.124) 5.120 4.621 ( -1.848 -0.349 0.852) 2.064 4.658 ( 1.067 4.264 2.346) 4.982 4.765 ( -0.909 0.368 2.461) 2.650 4.801 ( 1.785 2.509 1.058) 3.256 4.902 ( -0.984 4.191 0.763) 4.373 4.969 ( 3.285 9.211 -2.182) 10.020 5.046 ( -6.430 0.056 0.473) 6.448 5.079 ( 2.641 2.597 0.280) 3.714 5.108 ( 3.086 -1.432 0.338) 3.419 5.188 ( 4.824 -2.228 2.368) 5.817 5.200 ( -1.064 0.140 -1.215) 1.621 5.304 ( -1.146 1.189 -1.798) 2.441 5.335 ( -0.670 -2.309 1.821) 3.016 5.486 ( -1.032 -9.137 -2.712) 9.586 5.756 ( 1.054 -0.102 0.218) 1.081 5.778 ( -0.284 -2.492 -0.753) 2.619 5.889 ( 0.356 -0.499 0.163) 0.634 5.930 ( -3.110 -2.931 -0.950) 4.378 6.126 ( -1.008 4.072 1.706) 4.529 6.197 ( 3.979 0.944 -1.323) 4.298 6.278 ( -1.679 0.005 2.377) 2.910 6.347 ( 0.120 -2.102 -0.641) 2.201 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.558 1.388 -3.950) 4.224 0.581 ( 0.216 -1.235 -3.367) 3.592 0.640 ( -1.890 3.802 -1.703) 4.575 0.674 ( -0.720 2.438 -0.942) 2.711 0.754 ( -0.406 1.443 -1.047) 1.828 0.866 ( -1.842 1.057 -2.080) 2.973 0.885 ( 0.199 2.383 -0.383) 2.421 0.946 ( -1.212 3.423 -0.097) 3.632 0.956 ( -0.663 1.159 -1.855) 2.285 0.969 ( 1.771 -0.669 -1.254) 2.271 0.999 ( -0.903 1.668 -2.711) 3.308 1.034 ( 0.198 -0.356 -2.222) 2.259 1.058 ( -0.119 -0.183 -1.568) 1.583 1.092 ( 0.576 -1.012 -1.176) 1.655 1.102 ( -0.251 -2.042 -0.966) 2.273 1.149 ( -0.719 -2.472 0.825) 2.703 1.163 ( -0.194 -1.322 0.169) 1.347 1.186 ( 1.755 0.304 2.132) 2.778 1.210 ( 0.900 -2.416 -0.992) 2.763 1.316 ( -1.529 -3.136 1.248) 3.705 1.377 ( -1.464 2.671 4.881) 5.754 1.415 ( -1.679 -3.122 -1.679) 3.923 1.464 ( -2.222 -3.762 -1.243) 4.543 1.494 ( -3.703 -0.446 2.479) 4.478 1.605 ( -7.300 3.877 2.233) 8.562 1.669 ( -3.257 4.423 -1.243) 5.632 1.724 ( -3.895 -0.617 -1.553) 4.239 1.788 ( -1.013 0.429 -3.784) 3.941 1.861 ( 2.044 -2.458 -0.118) 3.199 1.934 ( 0.320 0.863 -1.401) 1.676 1.974 ( 1.019 -1.584 3.751) 4.198 2.025 ( 1.216 -2.294 -0.999) 2.782 2.059 ( -3.939 0.676 1.932) 4.440 2.071 ( 2.096 0.597 1.911) 2.898 2.114 ( -1.064 -1.541 -1.328) 2.296 2.178 ( 3.898 2.445 3.841) 5.994 2.243 ( 1.227 -2.166 0.488) 2.536 2.255 ( 0.266 -3.496 2.323) 4.206 2.325 ( 1.471 0.158 -1.255) 1.940 2.341 ( 1.927 1.859 4.361) 5.118 2.453 ( 0.511 0.330 -2.713) 2.780 2.477 ( -1.985 0.306 -1.781) 2.684 2.583 ( 1.904 1.328 -1.316) 2.668 2.621 ( 2.678 0.430 -1.312) 3.013 2.773 ( 1.164 -0.856 0.406) 1.501 2.840 ( -2.429 -3.496 -4.345) 6.083 2.916 ( 2.356 2.031 3.450) 4.645 2.938 ( -0.030 -1.042 2.684) 2.879 3.004 ( 3.324 -3.739 2.676) 5.674 3.121 ( 0.270 -1.011 -1.525) 1.849 3.162 ( -1.176 -4.229 4.916) 6.591 3.240 ( -0.113 -4.649 0.483) 4.676 3.342 ( 0.318 -0.155 3.673) 3.690 3.432 ( 0.762 -0.709 3.353) 3.511 3.521 ( -1.100 -2.518 -0.854) 2.877 3.527 ( -0.701 -3.366 -1.632) 3.806 3.593 ( 1.215 1.959 -1.509) 2.756 3.641 ( 0.893 -1.919 -1.287) 2.477 3.686 ( -0.332 -3.362 1.263) 3.606 3.758 ( 1.787 -2.305 -2.231) 3.672 3.832 ( 3.054 -0.268 0.613) 3.126 3.879 ( 0.472 -2.217 1.442) 2.687 3.918 ( 1.849 -0.303 0.418) 1.920 3.961 ( 0.738 1.263 -2.647) 3.025 3.973 ( 1.797 -1.744 -0.530) 2.560 3.991 ( 4.592 -0.684 -0.431) 4.662 4.047 ( 2.495 -0.683 -4.535) 5.221 4.115 ( 2.887 -3.170 2.115) 4.781 4.180 ( 0.851 -0.927 1.186) 1.730 4.256 ( 0.821 -0.421 0.175) 0.939 4.283 ( -0.514 3.337 -1.426) 3.665 4.363 ( 0.938 -2.293 -0.678) 2.568 4.471 ( -1.626 2.987 -3.193) 4.665 4.518 ( 1.512 -0.348 -1.968) 2.506 4.556 ( -4.238 0.719 0.216) 4.304 4.611 ( -5.754 3.897 2.635) 7.433 4.718 ( -3.448 1.223 2.365) 4.356 4.786 ( -3.095 1.814 0.041) 3.587 4.849 ( -5.569 3.839 0.039) 6.764 4.920 ( -4.086 -2.268 -2.892) 5.495 5.024 ( -0.504 7.139 -0.333) 7.165 5.076 ( -1.054 1.694 4.495) 4.918 5.185 ( 2.362 -0.289 3.825) 4.505 5.196 ( -3.968 -0.557 -1.855) 4.415 5.220 ( 2.129 4.864 -2.672) 5.943 5.289 ( 0.502 1.108 -1.785) 2.160 5.353 ( 3.917 -3.838 3.473) 6.491 5.500 ( 1.281 -7.368 -2.946) 8.038 5.742 ( -3.120 -1.552 0.692) 3.553 5.770 ( -0.984 -1.084 1.363) 2.000 5.841 ( -2.563 -0.423 -2.692) 3.741 5.895 ( -0.240 -3.567 -1.968) 4.081 6.170 ( 4.215 4.086 1.161) 5.984 6.244 ( 0.946 -0.217 3.184) 3.329 6.298 ( 3.386 -0.189 -0.730) 3.469 6.368 ( 1.882 -1.693 -0.938) 2.700 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.237 4.023 0.021) 4.030 0.570 ( 0.222 1.747 -0.073) 1.762 0.626 ( 0.191 5.621 0.156) 5.626 0.663 ( 0.107 1.975 -1.680) 2.595 0.743 ( -1.118 -1.223 -0.460) 1.719 0.838 ( -1.198 0.488 -2.343) 2.676 0.872 ( -0.786 2.759 -0.443) 2.903 0.909 ( -1.916 4.679 0.219) 5.061 0.941 ( -0.218 1.215 -0.644) 1.392 0.989 ( -0.502 -0.018 -2.345) 2.398 1.014 ( 1.100 0.811 -2.429) 2.788 1.037 ( -0.204 -1.314 -1.533) 2.029 1.050 ( 0.203 -0.213 0.296) 0.417 1.092 ( -0.491 -1.282 -1.961) 2.394 1.101 ( 0.461 -1.571 -1.046) 1.943 1.132 ( -1.537 -1.611 2.784) 3.565 1.149 ( 0.171 -0.078 0.951) 0.970 1.225 ( 1.654 0.947 1.577) 2.474 1.259 ( 1.393 1.050 0.889) 1.958 1.290 ( 0.341 -3.875 -1.950) 4.351 1.302 ( -5.240 2.660 0.383) 5.888 1.371 ( -2.587 -0.298 -0.576) 2.667 1.397 ( -2.629 0.254 1.048) 2.841 1.444 ( -1.968 -1.325 5.022) 5.554 1.488 ( -4.130 -1.872 1.531) 4.786 1.607 ( -3.758 3.461 -2.324) 5.613 1.665 ( -1.180 1.210 -3.960) 4.305 1.774 ( -0.886 1.703 -7.035) 7.292 1.892 ( 1.456 -3.277 -0.164) 3.590 1.947 ( 1.329 2.223 -1.239) 2.871 1.986 ( -2.240 -0.741 2.531) 3.460 2.001 ( 0.712 -1.392 1.445) 2.129 2.023 ( -1.786 -1.951 -1.909) 3.262 2.102 ( 0.986 -2.742 -0.146) 2.918 2.123 ( 1.781 0.480 1.943) 2.679 2.198 ( -1.690 0.907 1.001) 2.164 2.278 ( 2.271 -3.338 2.911) 4.977 2.296 ( 2.671 -0.620 1.477) 3.115 2.334 ( 0.602 1.246 1.677) 2.174 2.387 ( 2.128 1.929 0.786) 2.977 2.442 ( -1.552 0.764 -0.911) 1.955 2.474 ( 1.338 -0.636 -1.294) 1.967 2.610 ( 0.572 1.525 0.508) 1.706 2.665 ( 1.719 -0.081 -0.705) 1.860 2.769 ( -0.839 0.188 -1.643) 1.854 2.800 ( -1.704 -3.828 -3.816) 5.667 2.940 ( 0.809 -4.550 1.420) 4.834 2.966 ( 2.218 -1.751 4.543) 5.350 3.055 ( -0.240 -1.993 0.220) 2.019 3.139 ( 0.185 -3.316 0.385) 3.344 3.159 ( 2.079 -0.258 5.260) 5.662 3.248 ( 2.589 -2.555 0.669) 3.698 3.365 ( 1.016 0.716 2.808) 3.071 3.458 ( 1.826 1.713 0.199) 2.512 3.504 ( -0.614 -3.719 -0.505) 3.803 3.509 ( -0.635 -2.936 -1.016) 3.171 3.608 ( 0.962 2.333 -3.572) 4.373 3.653 ( 0.027 -2.187 3.106) 3.798 3.724 ( 3.067 -2.698 2.118) 4.601 3.774 ( 0.197 -3.213 -3.953) 5.098 3.879 ( 2.204 0.041 -1.238) 2.529 3.909 ( 1.406 -1.960 1.868) 3.051 3.957 ( 3.848 0.490 1.859) 4.302 3.991 ( 1.074 1.087 -1.701) 2.287 4.028 ( 3.073 -0.346 -1.029) 3.259 4.047 ( 0.511 -0.880 -3.502) 3.647 4.110 ( 2.745 -0.058 1.203) 2.998 4.149 ( 2.077 0.471 -0.443) 2.175 4.219 ( 3.542 -1.379 0.541) 3.839 4.261 ( -0.829 2.594 1.327) 3.030 4.310 ( 3.116 -2.676 0.746) 4.174 4.376 ( 0.104 -0.484 -1.936) 1.999 4.459 ( 0.130 1.892 -3.124) 3.654 4.487 ( -1.033 -1.529 4.238) 4.623 4.500 ( -4.384 1.647 -0.956) 4.780 4.541 ( -1.069 0.763 -2.509) 2.832 4.642 ( -4.634 -0.550 1.334) 4.853 4.689 ( -6.214 2.063 -0.595) 6.574 4.735 ( -4.763 0.675 -1.980) 5.202 4.835 ( -4.857 -2.362 -0.414) 5.417 4.970 ( -4.362 6.404 0.646) 7.776 5.058 ( -1.872 1.939 4.847) 5.546 5.096 ( -3.557 0.923 -4.208) 5.587 5.186 ( -1.727 3.211 7.206) 8.076 5.288 ( -0.317 0.936 -1.943) 2.180 5.300 ( 3.996 3.961 -2.369) 6.105 5.422 ( 2.435 -2.194 3.159) 4.552 5.512 ( -0.026 -5.937 -1.352) 6.089 5.692 ( -1.131 -1.610 2.043) 2.837 5.741 ( -0.534 -3.105 -0.479) 3.187 5.824 ( -0.260 1.522 -1.866) 2.422 5.908 ( 0.844 -3.358 -4.450) 5.638 6.234 ( 1.550 3.437 3.665) 5.258 6.265 ( 1.692 1.949 2.039) 3.290 6.357 ( 2.246 -2.186 -0.687) 3.209 6.409 ( 2.167 -1.921 -2.317) 3.709 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.568 -1.242 0.329) 1.405 0.584 ( 0.568 1.242 0.329) 1.405 0.694 ( -0.050 -1.110 -0.664) 1.294 0.694 ( -0.050 1.110 -0.664) 1.294 0.785 ( 0.197 -4.098 0.162) 4.106 0.785 ( 0.197 4.098 0.162) 4.106 0.933 ( 0.564 -1.436 -0.660) 1.678 0.933 ( 0.564 1.436 -0.660) 1.678 0.986 ( -2.258 -3.743 0.390) 4.389 0.986 ( -2.258 3.743 0.390) 4.389 1.034 ( 1.313 -0.781 0.809) 1.729 1.034 ( 1.313 0.781 0.809) 1.729 1.063 ( 1.053 -1.514 -2.248) 2.907 1.063 ( 1.053 1.514 -2.248) 2.907 1.091 ( 2.021 -4.034 0.098) 4.513 1.091 ( 2.021 4.034 0.098) 4.513 1.159 ( -1.986 -2.133 -2.055) 3.566 1.159 ( -1.986 2.133 -2.055) 3.566 1.232 ( -1.978 -0.895 -1.814) 2.829 1.232 ( -1.978 0.895 -1.814) 2.829 1.351 ( -1.660 -3.729 1.951) 4.524 1.351 ( -1.660 3.729 1.951) 4.524 1.364 ( 3.948 -0.652 2.026) 4.485 1.364 ( 3.948 0.652 2.026) 4.485 1.624 ( -1.668 -3.725 -1.837) 4.476 1.624 ( -1.668 3.725 -1.837) 4.476 1.670 ( -0.108 -12.590 2.506) 12.837 1.670 ( -0.108 12.590 2.506) 12.837 1.881 ( -0.975 -5.186 -4.285) 6.798 1.881 ( -0.975 5.186 -4.285) 6.798 2.013 ( 0.836 -1.892 -0.585) 2.149 2.013 ( 0.836 1.892 -0.585) 2.149 2.048 ( 1.047 -1.724 -1.556) 2.547 2.048 ( 1.047 1.724 -1.556) 2.547 2.154 ( -0.556 -0.471 0.136) 0.741 2.154 ( -0.556 0.471 0.136) 0.741 2.249 ( -1.246 -1.328 3.450) 3.901 2.249 ( -1.246 1.328 3.450) 3.901 2.417 ( -0.263 -0.971 2.010) 2.248 2.417 ( -0.263 0.971 2.010) 2.248 2.467 ( 1.178 -2.015 -1.879) 2.996 2.467 ( 1.178 2.015 -1.879) 2.996 2.650 ( -0.927 -2.165 0.341) 2.380 2.650 ( -0.927 2.165 0.341) 2.380 2.755 ( 0.608 -1.496 -1.474) 2.186 2.755 ( 0.608 1.496 -1.474) 2.186 2.894 ( -0.652 -2.791 0.022) 2.866 2.894 ( -0.652 2.791 0.022) 2.866 3.068 ( -0.596 -2.462 4.146) 4.859 3.068 ( -0.596 2.462 4.146) 4.859 3.246 ( 2.787 -3.565 0.273) 4.534 3.246 ( 2.787 3.565 0.273) 4.534 3.437 ( -0.211 -2.603 -0.118) 2.615 3.437 ( -0.211 2.603 -0.118) 2.615 3.515 ( 1.157 -3.628 -0.426) 3.832 3.515 ( 1.157 3.628 -0.426) 3.832 3.645 ( -0.929 -4.048 -3.476) 5.415 3.645 ( -0.929 4.048 -3.476) 5.415 3.691 ( 0.225 -2.942 3.139) 4.308 3.691 ( 0.225 2.942 3.139) 4.308 3.906 ( 1.274 -2.106 0.719) 2.564 3.906 ( 1.274 2.106 0.719) 2.564 3.962 ( -3.769 -2.138 -1.391) 4.551 3.962 ( -3.769 2.138 -1.391) 4.551 4.109 ( 1.206 -0.716 -0.211) 1.418 4.109 ( 1.206 0.716 -0.211) 1.418 4.148 ( -0.541 -2.466 -2.574) 3.606 4.148 ( -0.541 2.466 -2.574) 3.606 4.292 ( 1.466 -3.082 4.072) 5.313 4.292 ( 1.466 3.082 4.072) 5.313 4.352 ( 1.551 -3.995 -0.482) 4.313 4.352 ( 1.551 3.995 -0.482) 4.313 4.430 ( -3.599 -1.680 -2.505) 4.696 4.430 ( -3.599 1.680 -2.505) 4.696 4.510 ( 2.959 -1.513 1.852) 3.805 4.510 ( 2.959 1.513 1.852) 3.805 4.618 ( 1.386 -3.126 -0.813) 3.515 4.618 ( 1.386 3.126 -0.813) 3.515 4.719 ( -0.688 -2.689 -0.338) 2.796 4.719 ( -0.688 2.689 -0.338) 2.796 4.988 ( -2.747 -2.780 -1.347) 4.133 4.988 ( -2.747 2.780 -1.347) 4.133 5.148 ( -0.770 -3.614 4.768) 6.032 5.148 ( -0.770 3.614 4.768) 6.032 5.355 ( 0.142 -6.976 -0.418) 6.990 5.355 ( 0.142 6.976 -0.418) 6.990 5.437 ( 0.433 -2.148 -0.155) 2.197 5.437 ( 0.433 2.148 -0.155) 2.197 5.690 ( 0.683 -1.578 0.817) 1.904 5.690 ( 0.683 1.578 0.817) 1.904 5.862 ( 0.206 -2.214 -3.728) 4.341 5.862 ( 0.206 2.214 -3.728) 4.341 6.306 ( -0.386 -3.658 1.330) 3.911 6.306 ( -0.386 3.658 1.330) 3.911 6.367 ( 0.154 -3.259 -0.007) 3.262 6.367 ( 0.154 3.259 -0.007) 3.262 ======================= Grid point 69 (36/56) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.517 -1.783 -0.017) 1.857 0.594 ( 0.517 1.783 -0.017) 1.857 0.680 ( -1.732 -0.938 -2.461) 3.152 0.680 ( -1.732 0.938 -2.461) 3.152 0.810 ( 2.584 -2.862 0.293) 3.867 0.810 ( 2.584 2.862 0.293) 3.867 0.940 ( -0.591 -0.963 -0.892) 1.440 0.940 ( -0.591 0.963 -0.892) 1.440 0.952 ( -0.143 -2.372 -0.034) 2.376 0.952 ( -0.143 2.372 -0.034) 2.376 1.045 ( -0.507 -1.307 -1.078) 1.768 1.045 ( -0.507 1.307 -1.078) 1.768 1.079 ( 0.610 -1.228 -1.009) 1.703 1.079 ( 0.610 1.228 -1.009) 1.703 1.121 ( -1.140 -0.654 -1.756) 2.194 1.121 ( -1.140 0.654 -1.756) 2.194 1.159 ( 2.842 -3.233 0.563) 4.341 1.159 ( 2.842 3.233 0.563) 4.341 1.216 ( 0.472 -1.700 -0.349) 1.798 1.216 ( 0.472 1.700 -0.349) 1.798 1.325 ( 0.625 -3.211 0.125) 3.274 1.325 ( 0.625 3.211 0.125) 3.274 1.452 ( 3.952 -1.318 4.734) 6.306 1.452 ( 3.952 1.318 4.734) 6.306 1.589 ( -0.942 -2.855 -3.532) 4.638 1.589 ( -0.942 2.855 -3.532) 4.638 1.702 ( 2.943 -10.848 1.813) 11.386 1.702 ( 2.943 10.848 1.813) 11.386 1.862 ( -0.915 -4.352 -2.469) 5.087 1.862 ( -0.915 4.352 -2.469) 5.087 2.019 ( 0.190 -2.695 -1.377) 3.033 2.019 ( 0.190 2.695 -1.377) 3.033 2.060 ( 0.157 -2.654 -2.027) 3.344 2.060 ( 0.157 2.654 -2.027) 3.344 2.143 ( -0.436 -2.103 1.749) 2.770 2.143 ( -0.436 2.103 1.749) 2.770 2.224 ( -1.248 -3.145 3.646) 4.974 2.224 ( -1.248 3.145 3.646) 4.974 2.394 ( -2.192 -1.585 2.063) 3.401 2.394 ( -2.192 1.585 2.063) 3.401 2.486 ( 0.776 -0.746 -2.732) 2.936 2.486 ( 0.776 0.746 -2.732) 2.936 2.619 ( -1.965 -2.373 0.167) 3.086 2.619 ( -1.965 2.373 0.167) 3.086 2.771 ( 0.785 -1.256 -1.916) 2.422 2.771 ( 0.785 1.256 -1.916) 2.422 2.887 ( -0.104 -1.749 0.543) 1.834 2.887 ( -0.104 1.749 0.543) 1.834 3.062 ( -0.200 -1.632 2.737) 3.193 3.062 ( -0.200 1.632 2.737) 3.193 3.277 ( -0.092 -3.788 2.953) 4.804 3.277 ( -0.092 3.788 2.953) 4.804 3.425 ( -1.090 -1.830 1.464) 2.585 3.425 ( -1.090 1.830 1.464) 2.585 3.498 ( -1.361 -4.812 -1.701) 5.283 3.498 ( -1.361 4.812 -1.701) 5.283 3.639 ( -0.524 -5.850 -2.157) 6.257 3.639 ( -0.524 5.850 -2.157) 6.257 3.687 ( -0.420 -0.624 0.288) 0.805 3.687 ( -0.420 0.624 0.288) 0.805 3.859 ( -3.859 -3.639 1.355) 5.474 3.859 ( -3.859 3.639 1.355) 5.474 3.942 ( -0.982 -1.551 -1.290) 2.243 3.942 ( -0.982 1.551 -1.290) 2.243 4.029 ( -6.748 -2.382 -1.497) 7.311 4.029 ( -6.748 2.382 -1.497) 7.311 4.122 ( -0.942 -1.645 0.323) 1.923 4.122 ( -0.942 1.645 0.323) 1.923 4.274 ( -2.794 -3.165 1.149) 4.375 4.274 ( -2.794 3.165 1.149) 4.375 4.385 ( -0.004 -1.761 -2.911) 3.402 4.385 ( -0.004 1.761 -2.911) 3.402 4.451 ( 4.942 -4.125 1.286) 6.565 4.451 ( 4.942 4.125 1.286) 6.565 4.561 ( 2.909 -3.313 0.129) 4.411 4.561 ( 2.909 3.313 0.129) 4.411 4.700 ( 3.231 -2.949 -1.362) 4.582 4.700 ( 3.231 2.949 -1.362) 4.582 4.772 ( 7.740 -1.419 1.264) 7.970 4.772 ( 7.740 1.419 1.264) 7.970 4.963 ( 0.282 -2.963 -0.057) 2.977 4.963 ( 0.282 2.963 -0.057) 2.977 5.151 ( 1.086 -2.903 3.018) 4.326 5.151 ( 1.086 2.903 3.018) 4.326 5.368 ( 0.384 -7.190 -0.956) 7.263 5.368 ( 0.384 7.190 -0.956) 7.263 5.399 ( -3.839 -2.202 -0.237) 4.432 5.399 ( -3.839 2.202 -0.237) 4.432 5.705 ( 1.000 -2.074 1.490) 2.742 5.705 ( 1.000 2.074 1.490) 2.742 5.871 ( 0.804 -3.133 -3.788) 4.981 5.871 ( 0.804 3.133 -3.788) 4.981 6.271 ( -2.994 -3.670 1.461) 4.956 6.271 ( -2.994 3.670 1.461) 4.956 6.357 ( -1.229 -2.894 0.061) 3.145 6.357 ( -1.229 2.894 0.061) 3.145 ======================= Grid point 71 (37/56) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -2.108 -2.514 -2.366) 4.044 0.582 ( -2.108 2.514 -2.366) 4.044 0.660 ( 0.417 -0.465 -3.245) 3.305 0.660 ( 0.417 0.465 -3.245) 3.305 0.868 ( 3.063 -2.037 -0.086) 3.679 0.868 ( 3.063 2.037 -0.086) 3.679 0.915 ( -1.504 -3.295 0.370) 3.641 0.915 ( -1.504 3.295 0.370) 3.641 0.978 ( 1.922 -1.713 -2.717) 3.743 0.978 ( 1.922 1.713 -2.717) 3.743 1.026 ( -1.066 -2.646 -2.692) 3.923 1.026 ( -1.066 2.646 -2.692) 3.923 1.083 ( -0.345 -1.401 -0.314) 1.477 1.083 ( -0.345 1.401 -0.314) 1.477 1.105 ( -0.259 -2.265 -1.297) 2.623 1.105 ( -0.259 2.265 -1.297) 2.623 1.173 ( -1.043 -3.016 -0.747) 3.278 1.173 ( -1.043 3.016 -0.747) 3.278 1.220 ( -0.179 -1.240 2.039) 2.393 1.220 ( -0.179 1.240 2.039) 2.393 1.381 ( 3.465 -1.357 0.662) 3.779 1.381 ( 3.465 1.357 0.662) 3.779 1.489 ( 0.139 -3.460 4.625) 5.777 1.489 ( 0.139 3.460 4.625) 5.777 1.619 ( 3.913 -1.717 -3.207) 5.343 1.619 ( 3.913 1.717 -3.207) 5.343 1.769 ( 3.520 -6.317 -0.032) 7.232 1.769 ( 3.520 6.317 -0.032) 7.232 1.851 ( 0.065 -2.764 0.408) 2.795 1.851 ( 0.065 2.764 0.408) 2.795 2.021 ( -0.990 -3.088 -2.721) 4.233 2.021 ( -0.990 3.088 -2.721) 4.233 2.065 ( 1.040 -3.034 2.039) 3.801 2.065 ( 1.040 3.034 2.039) 3.801 2.133 ( -0.408 -2.412 1.750) 3.008 2.133 ( -0.408 2.412 1.750) 3.008 2.218 ( 1.044 -2.766 2.594) 3.933 2.218 ( 1.044 2.766 2.594) 3.933 2.330 ( -4.589 -2.849 2.589) 5.990 2.330 ( -4.589 2.849 2.589) 5.990 2.498 ( 0.518 -1.303 -3.353) 3.635 2.498 ( 0.518 1.303 -3.353) 3.635 2.589 ( -1.125 -1.676 -1.232) 2.364 2.589 ( -1.125 1.676 -1.232) 2.364 2.775 ( -0.276 -4.391 -2.554) 5.088 2.775 ( -0.276 4.391 -2.554) 5.088 2.891 ( 0.611 -1.904 2.113) 2.909 2.891 ( 0.611 1.904 2.113) 2.909 3.054 ( -0.757 -2.517 2.054) 3.336 3.054 ( -0.757 2.517 2.054) 3.336 3.232 ( -4.002 -4.535 2.963) 6.735 3.232 ( -4.002 4.535 2.963) 6.735 3.403 ( -0.867 -0.979 3.724) 3.947 3.403 ( -0.867 0.979 3.724) 3.947 3.509 ( 1.749 -1.083 -2.321) 3.102 3.509 ( 1.749 1.083 -2.321) 3.102 3.614 ( -1.803 -4.270 -0.071) 4.636 3.614 ( -1.803 4.270 -0.071) 4.636 3.672 ( -0.789 -0.825 -2.463) 2.714 3.672 ( -0.789 0.825 -2.463) 2.714 3.814 ( -1.012 -3.892 2.080) 4.527 3.814 ( -1.012 3.892 2.080) 4.527 3.889 ( -2.063 -0.258 -2.290) 3.093 3.889 ( -2.063 0.258 -2.290) 3.093 3.950 ( -2.161 -2.900 0.514) 3.653 3.950 ( -2.161 2.900 0.514) 3.653 4.098 ( -2.414 -2.537 -0.537) 3.543 4.098 ( -2.414 2.537 -0.537) 3.543 4.223 ( -2.004 -2.600 -0.968) 3.423 4.223 ( -2.004 2.600 -0.968) 3.423 4.368 ( -1.607 -1.762 -2.469) 3.433 4.368 ( -1.607 1.762 -2.469) 3.433 4.525 ( 3.132 -6.332 1.084) 7.146 4.525 ( 3.132 6.332 1.084) 7.146 4.625 ( 2.343 -1.988 -2.649) 4.057 4.625 ( 2.343 1.988 -2.649) 4.057 4.747 ( 2.724 -1.148 2.741) 4.031 4.747 ( 2.724 1.148 2.741) 4.031 4.936 ( 8.042 -1.636 1.070) 8.276 4.936 ( 8.042 1.636 1.070) 8.276 5.001 ( 3.512 -1.125 0.680) 3.750 5.001 ( 3.512 1.125 0.680) 3.750 5.182 ( 1.292 -5.414 0.069) 5.566 5.182 ( 1.292 5.414 0.069) 5.566 5.280 ( -6.276 -2.577 0.738) 6.825 5.280 ( -6.276 2.577 0.738) 6.825 5.373 ( -1.490 -5.606 -1.932) 6.113 5.373 ( -1.490 5.606 -1.932) 6.113 5.733 ( 1.610 -1.149 0.972) 2.204 5.733 ( 1.610 1.149 0.972) 2.204 5.890 ( 1.097 -2.966 -2.194) 3.849 5.890 ( 1.097 2.966 -2.194) 3.849 6.212 ( -2.521 -2.035 1.158) 3.441 6.212 ( -2.521 2.035 1.158) 3.441 6.323 ( -2.209 -2.159 0.274) 3.101 6.323 ( -2.209 2.159 0.274) 3.101 ======================= Grid point 73 (38/56) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.797 -2.131 -3.967) 4.573 0.548 ( -0.797 2.131 -3.967) 4.573 0.677 ( 0.970 -0.785 -2.837) 3.100 0.677 ( 0.970 0.785 -2.837) 3.100 0.878 ( -2.049 -4.055 -0.152) 4.546 0.878 ( -2.049 4.055 -0.152) 4.546 0.923 ( 2.282 -1.856 0.238) 2.952 0.923 ( 2.282 1.856 0.238) 2.952 0.989 ( -0.936 -0.927 -3.269) 3.524 0.989 ( -0.936 0.927 -3.269) 3.524 1.032 ( 1.418 -1.335 -4.308) 4.728 1.032 ( 1.418 1.335 -4.308) 4.728 1.069 ( -0.946 -2.085 -1.276) 2.621 1.069 ( -0.946 2.085 -1.276) 2.621 1.112 ( 0.286 -1.737 0.189) 1.771 1.112 ( 0.286 1.737 0.189) 1.771 1.135 ( -1.453 -1.144 0.181) 1.858 1.135 ( -1.453 1.144 0.181) 1.858 1.224 ( 0.376 -3.843 1.994) 4.346 1.224 ( 0.376 3.843 1.994) 4.346 1.418 ( 0.516 -1.256 1.571) 2.076 1.418 ( 0.516 1.256 1.571) 2.076 1.477 ( -1.413 -3.695 2.460) 4.658 1.477 ( -1.413 3.695 2.460) 4.658 1.693 ( 2.923 -1.038 -2.007) 3.694 1.693 ( 2.923 1.038 -2.007) 3.694 1.793 ( -1.058 -0.973 -0.334) 1.476 1.793 ( -1.058 0.973 -0.334) 1.476 1.877 ( 1.744 -2.661 2.054) 3.787 1.877 ( 1.744 2.661 2.054) 3.787 1.984 ( -2.011 -2.737 -1.369) 3.662 1.984 ( -2.011 2.737 -1.369) 3.662 2.076 ( 0.293 -2.207 2.050) 3.026 2.076 ( 0.293 2.207 2.050) 3.026 2.162 ( 2.893 -3.134 1.930) 4.682 2.162 ( 2.893 3.134 1.930) 4.682 2.221 ( -5.350 -2.659 1.118) 6.079 2.221 ( -5.350 2.659 1.118) 6.079 2.272 ( 3.164 -0.231 3.174) 4.488 2.272 ( 3.164 0.231 3.174) 4.488 2.499 ( -0.656 -1.287 -2.971) 3.304 2.499 ( -0.656 1.287 -2.971) 3.304 2.581 ( 0.702 -0.617 -2.604) 2.767 2.581 ( 0.702 0.617 -2.604) 2.767 2.771 ( 0.059 -4.666 -2.556) 5.320 2.771 ( 0.059 4.666 -2.556) 5.320 2.908 ( 1.058 -1.836 2.996) 3.670 2.908 ( 1.058 1.836 2.996) 3.670 3.040 ( -0.502 -5.631 2.952) 6.377 3.040 ( -0.502 5.631 2.952) 6.377 3.165 ( -2.304 -3.345 1.147) 4.220 3.165 ( -2.304 3.345 1.147) 4.220 3.385 ( -1.143 -1.884 3.220) 3.901 3.385 ( -1.143 1.884 3.220) 3.901 3.523 ( -0.541 -1.474 -1.715) 2.325 3.523 ( -0.541 1.474 -1.715) 2.325 3.591 ( -0.117 -1.813 -0.418) 1.864 3.591 ( -0.117 1.813 -0.418) 1.864 3.678 ( 1.200 -0.763 -0.693) 1.582 3.678 ( 1.200 0.763 -0.693) 1.582 3.810 ( 0.604 -2.461 2.987) 3.917 3.810 ( 0.604 2.461 2.987) 3.917 3.899 ( 1.965 -1.649 -0.645) 2.645 3.899 ( 1.965 1.649 -0.645) 2.645 3.938 ( 1.222 -1.597 -1.242) 2.363 3.938 ( 1.222 1.597 -1.242) 2.363 4.044 ( -2.113 -1.521 -3.089) 4.040 4.044 ( -2.113 1.521 -3.089) 4.040 4.201 ( -0.486 -2.958 -1.938) 3.570 4.201 ( -0.486 2.958 -1.938) 3.570 4.340 ( -0.855 -0.705 0.397) 1.177 4.340 ( -0.855 0.705 0.397) 1.177 4.549 ( -1.228 -2.767 -0.625) 3.091 4.549 ( -1.228 2.767 -0.625) 3.091 4.648 ( 0.669 -4.274 -3.060) 5.299 4.648 ( 0.669 4.274 -3.060) 5.299 4.788 ( 0.515 -2.480 3.602) 4.403 4.788 ( 0.515 2.480 3.602) 4.403 5.024 ( -1.590 -5.788 1.420) 6.168 5.024 ( -1.590 5.788 1.420) 6.168 5.071 ( 1.331 -1.961 2.421) 3.388 5.071 ( 1.331 1.961 2.421) 3.388 5.142 ( 1.834 -5.007 -1.671) 5.588 5.142 ( 1.834 5.007 -1.671) 5.588 5.260 ( 1.125 -7.000 -0.143) 7.092 5.260 ( 1.125 7.000 -0.143) 7.092 5.336 ( -0.995 -2.021 -1.777) 2.869 5.336 ( -0.995 2.021 -1.777) 2.869 5.753 ( 0.601 -0.260 -0.683) 0.946 5.753 ( 0.601 0.260 -0.683) 0.946 5.888 ( -2.036 -0.898 0.361) 2.254 5.888 ( -2.036 0.898 0.361) 2.254 6.198 ( 1.024 -1.558 0.100) 1.867 6.198 ( 1.024 1.558 0.100) 1.867 6.292 ( -0.355 -2.115 0.664) 2.245 6.292 ( -0.355 2.115 0.664) 2.245 ======================= Grid point 75 (39/56) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.894 -1.407 -3.061) 3.486 0.552 ( 0.894 1.407 -3.061) 3.486 0.693 ( 0.771 -0.683 -2.486) 2.691 0.693 ( 0.771 0.683 -2.486) 2.691 0.832 ( -2.678 -4.178 -0.091) 4.963 0.832 ( -2.678 4.178 -0.091) 4.963 0.953 ( 0.134 -2.172 0.312) 2.199 0.953 ( 0.134 2.172 0.312) 2.199 0.968 ( -0.342 -1.226 -2.378) 2.697 0.968 ( -0.342 1.226 -2.378) 2.697 1.040 ( -0.217 -1.507 -3.623) 3.930 1.040 ( -0.217 1.507 -3.623) 3.930 1.061 ( -0.011 -1.897 -1.076) 2.181 1.061 ( -0.011 1.897 -1.076) 2.181 1.089 ( -1.162 -3.281 -0.153) 3.484 1.089 ( -1.162 3.281 -0.153) 3.484 1.165 ( 2.715 -1.490 -0.112) 3.100 1.165 ( 2.715 1.490 -0.112) 3.100 1.229 ( 0.269 -3.587 1.797) 4.021 1.229 ( 0.269 3.587 1.797) 4.021 1.398 ( -3.262 -1.317 -0.298) 3.530 1.398 ( -3.262 1.317 -0.298) 3.530 1.442 ( -1.720 -2.858 3.986) 5.198 1.442 ( -1.720 2.858 3.986) 5.198 1.695 ( -2.778 -2.354 -2.442) 4.385 1.695 ( -2.778 2.354 -2.442) 4.385 1.759 ( -2.017 -4.083 -0.060) 4.555 1.759 ( -2.017 4.083 -0.060) 4.555 1.891 ( 0.156 -5.129 1.537) 5.356 1.891 ( 0.156 5.129 1.537) 5.356 1.971 ( 0.811 -2.663 -1.847) 3.340 1.971 ( 0.811 2.663 -1.847) 3.340 2.073 ( -2.668 -1.363 0.981) 3.153 2.073 ( -2.668 1.363 0.981) 3.153 2.132 ( -0.469 -4.771 2.236) 5.290 2.132 ( -0.469 4.771 2.236) 5.290 2.232 ( 3.098 -1.747 1.900) 4.032 2.232 ( 3.098 1.747 1.900) 4.032 2.338 ( 3.214 -1.266 2.494) 4.261 2.338 ( 3.214 1.266 2.494) 4.261 2.475 ( -1.374 -0.774 -3.290) 3.648 2.475 ( -1.374 0.774 -3.290) 3.648 2.614 ( 2.210 -1.166 -1.609) 2.972 2.614 ( 2.210 1.166 -1.609) 2.972 2.769 ( -0.561 -1.635 -2.082) 2.706 2.769 ( -0.561 1.635 -2.082) 2.706 2.924 ( 0.148 -0.672 0.785) 1.044 2.924 ( 0.148 0.672 0.785) 1.044 3.048 ( 1.799 -5.107 4.754) 7.205 3.048 ( 1.799 5.107 4.754) 7.205 3.150 ( 0.278 -3.083 1.290) 3.353 3.150 ( 0.278 3.083 1.290) 3.353 3.380 ( 1.103 -3.021 2.132) 3.859 3.380 ( 1.103 3.021 2.132) 3.859 3.499 ( -1.473 -0.247 -1.686) 2.252 3.499 ( -1.473 0.247 -1.686) 2.252 3.611 ( 1.940 -0.811 0.081) 2.104 3.611 ( 1.940 0.811 0.081) 2.104 3.694 ( 0.060 -3.121 -1.253) 3.364 3.694 ( 0.060 3.121 -1.253) 3.364 3.840 ( 2.536 -1.075 2.627) 3.806 3.840 ( 2.536 1.075 2.627) 3.806 3.927 ( 1.170 -1.565 -0.834) 2.124 3.927 ( 1.170 1.565 -0.834) 2.124 3.987 ( 3.201 -0.216 -0.712) 3.286 3.987 ( 3.201 0.216 -0.712) 3.286 4.058 ( 3.667 -1.902 -2.020) 4.599 4.058 ( 3.667 1.902 -2.020) 4.599 4.201 ( 0.545 -2.828 -2.310) 3.692 4.201 ( 0.545 2.828 -2.310) 3.692 4.340 ( 0.563 -1.144 0.125) 1.281 4.340 ( 0.563 1.144 0.125) 1.281 4.499 ( -3.197 -1.431 -0.768) 3.586 4.499 ( -3.197 1.431 -0.768) 3.586 4.631 ( -2.792 -3.113 -0.370) 4.198 4.631 ( -2.792 3.113 -0.370) 4.198 4.749 ( -4.174 -3.518 2.915) 6.189 4.749 ( -4.174 3.518 2.915) 6.189 4.904 ( -7.080 -0.771 -2.058) 7.413 4.904 ( -7.080 0.771 -2.058) 7.413 5.104 ( 0.435 -2.400 3.673) 4.408 5.104 ( 0.435 2.400 3.673) 4.408 5.191 ( -0.967 -4.121 -0.376) 4.250 5.191 ( -0.967 4.121 -0.376) 4.250 5.281 ( 4.318 -2.023 0.264) 4.775 5.281 ( 4.318 2.023 0.264) 4.775 5.360 ( 1.848 -5.342 -2.351) 6.122 5.360 ( 1.848 5.342 -2.351) 6.122 5.742 ( -2.835 -1.174 1.425) 3.383 5.742 ( -2.835 1.174 1.425) 3.383 5.844 ( -0.556 -0.993 -2.420) 2.674 5.844 ( -0.556 0.993 -2.420) 2.674 6.235 ( 2.574 -1.201 0.990) 3.008 6.235 ( 2.574 1.201 0.990) 3.008 6.315 ( 2.166 -2.395 0.251) 3.239 6.315 ( 2.166 2.395 0.251) 3.239 ======================= Grid point 77 (40/56) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.873 -0.720 -0.873) 1.429 0.570 ( 0.873 0.720 -0.873) 1.429 0.699 ( -0.257 -0.903 -1.555) 1.817 0.699 ( -0.257 0.903 -1.555) 1.817 0.792 ( -1.119 -4.928 0.529) 5.081 0.792 ( -1.119 4.928 0.529) 5.081 0.932 ( -0.785 -1.213 -1.351) 1.978 0.932 ( -0.785 1.213 -1.351) 1.978 0.991 ( 1.610 -2.680 0.250) 3.136 0.991 ( 1.610 2.680 0.250) 3.136 1.035 ( -0.715 -0.214 -1.090) 1.321 1.035 ( -0.715 0.214 -1.090) 1.321 1.054 ( -0.361 -1.399 -1.551) 2.120 1.054 ( -0.361 1.399 -1.551) 2.120 1.076 ( -0.123 -3.024 -0.422) 3.056 1.076 ( -0.123 3.024 -0.422) 3.056 1.189 ( -0.712 -3.352 -1.047) 3.583 1.189 ( -0.712 3.352 -1.047) 3.583 1.258 ( 2.303 -1.202 1.266) 2.890 1.258 ( 2.303 1.202 1.266) 2.890 1.315 ( -3.412 -2.349 -1.628) 4.451 1.315 ( -3.412 2.349 -1.628) 4.451 1.405 ( -2.549 -2.696 4.070) 5.508 1.405 ( -2.549 2.696 4.070) 5.508 1.644 ( -1.612 -4.144 -1.369) 4.653 1.644 ( -1.612 4.144 -1.369) 4.653 1.709 ( -3.008 -7.689 0.683) 8.285 1.709 ( -3.008 7.689 0.683) 8.285 1.893 ( -0.144 -5.140 -2.811) 5.860 1.893 ( -0.144 5.140 -2.811) 5.860 1.995 ( 1.018 -2.061 -1.420) 2.702 1.995 ( 1.018 2.061 -1.420) 2.702 2.031 ( -0.093 -3.442 0.574) 3.491 2.031 ( -0.093 3.442 0.574) 3.491 2.152 ( 0.943 -2.819 1.477) 3.320 2.152 ( 0.943 2.819 1.477) 3.320 2.264 ( 0.091 -1.755 1.612) 2.385 2.264 ( 0.091 1.755 1.612) 2.385 2.393 ( 2.537 -2.180 3.258) 4.669 2.393 ( 2.537 2.180 3.258) 4.669 2.458 ( -0.351 -0.607 -3.192) 3.268 2.458 ( -0.351 0.607 -3.192) 3.268 2.648 ( 1.121 -1.693 -0.404) 2.070 2.648 ( 1.121 1.693 -0.404) 2.070 2.755 ( -0.574 -0.663 -1.449) 1.694 2.755 ( -0.574 0.663 -1.449) 1.694 2.911 ( -1.091 -2.625 0.155) 2.846 2.911 ( -1.091 2.625 0.155) 2.846 3.078 ( 0.098 -3.430 4.108) 5.353 3.078 ( 0.098 3.430 4.108) 5.353 3.182 ( 3.418 -2.970 1.481) 4.764 3.182 ( 3.418 2.970 1.481) 4.764 3.420 ( 2.266 -3.473 0.795) 4.222 3.420 ( 2.266 3.473 0.795) 4.222 3.485 ( 0.468 -0.463 -2.136) 2.235 3.485 ( 0.468 0.463 -2.136) 2.235 3.654 ( 1.867 -2.517 1.876) 3.653 3.654 ( 1.867 2.517 1.876) 3.653 3.681 ( -0.799 -3.970 -1.586) 4.349 3.681 ( -0.799 3.970 -1.586) 4.349 3.881 ( 1.222 -0.482 -0.145) 1.322 3.881 ( 1.222 0.482 -0.145) 1.322 3.982 ( 3.966 -2.160 -0.530) 4.547 3.982 ( 3.966 2.160 -0.530) 4.547 4.033 ( 2.110 -1.471 0.309) 2.591 4.033 ( 2.110 1.471 0.309) 2.591 4.135 ( 2.728 -1.670 -1.899) 3.720 4.135 ( 2.728 1.670 -1.899) 3.720 4.232 ( 3.418 -2.813 0.880) 4.513 4.232 ( 3.418 2.813 0.880) 4.513 4.345 ( -0.295 -3.145 -2.681) 4.143 4.345 ( -0.295 3.145 -2.681) 4.143 4.455 ( -0.750 -0.668 1.156) 1.531 4.455 ( -0.750 0.668 1.156) 1.531 4.555 ( -4.807 -1.566 0.930) 5.141 4.555 ( -4.807 1.566 0.930) 5.141 4.663 ( -4.490 -3.085 2.045) 5.819 4.663 ( -4.490 3.085 2.045) 5.819 4.779 ( -5.630 -2.684 -2.953) 6.901 4.779 ( -5.630 2.684 -2.953) 6.901 5.059 ( -4.234 -2.254 0.261) 4.803 5.059 ( -4.234 2.254 0.261) 4.803 5.169 ( -1.095 -5.069 4.009) 6.555 5.169 ( -1.095 5.069 4.009) 6.555 5.357 ( 0.889 -4.070 -1.930) 4.592 5.357 ( 0.889 4.070 -1.930) 4.592 5.391 ( 3.213 -0.600 0.152) 3.272 5.391 ( 3.213 0.600 0.152) 3.272 5.690 ( -1.256 -1.393 1.316) 2.291 5.690 ( -1.256 1.393 1.316) 2.291 5.856 ( 0.712 -1.636 -3.551) 3.974 5.856 ( 0.712 1.636 -3.551) 3.974 6.285 ( 2.298 -1.857 1.424) 3.280 6.285 ( 2.298 1.857 1.424) 3.280 6.352 ( 1.455 -2.882 -0.019) 3.228 6.352 ( 1.455 2.882 -0.019) 3.228 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 4.454 0.000 -5.775) 7.294 0.461 ( -4.454 0.000 5.775) 7.294 0.507 ( 6.202 0.000 -8.789) 10.757 0.507 ( -6.202 0.000 8.789) 10.757 0.731 ( -2.921 0.000 -0.646) 2.992 0.731 ( 2.921 0.000 0.646) 2.992 0.793 ( -2.283 0.000 -0.398) 2.317 0.793 ( 2.283 0.000 0.398) 2.317 0.900 ( -0.651 0.000 0.048) 0.653 0.900 ( 0.651 0.000 -0.048) 0.653 0.967 ( -2.092 0.000 -5.551) 5.932 0.967 ( 2.092 0.000 5.551) 5.932 1.087 ( -1.843 0.000 -4.052) 4.451 1.087 ( 1.843 0.000 4.052) 4.451 1.138 ( -0.305 0.000 -0.647) 0.715 1.138 ( 0.305 0.000 0.647) 0.715 1.206 ( 0.391 0.000 -2.412) 2.443 1.206 ( -0.391 0.000 2.412) 2.443 1.285 ( 0.754 0.000 -0.886) 1.163 1.285 ( -0.754 0.000 0.886) 1.163 1.355 ( -3.378 0.000 -1.834) 3.844 1.355 ( 3.378 0.000 1.834) 3.844 1.364 ( -0.610 0.000 -6.649) 6.676 1.364 ( 0.610 0.000 6.649) 6.676 1.587 ( -1.293 0.000 -5.631) 5.778 1.587 ( 1.293 0.000 5.631) 5.778 1.638 ( 3.665 0.000 -6.005) 7.035 1.638 ( -3.665 0.000 6.005) 7.035 1.874 ( -1.383 0.000 -0.043) 1.383 1.874 ( 1.383 0.000 0.043) 1.383 2.000 ( -0.758 0.000 -0.028) 0.759 2.000 ( 0.758 0.000 0.028) 0.759 2.092 ( 0.106 0.000 -0.262) 0.283 2.092 ( -0.106 0.000 0.262) 0.283 2.167 ( -0.679 0.000 -0.280) 0.734 2.167 ( 0.679 0.000 0.280) 0.734 2.342 ( 0.647 0.000 -1.150) 1.320 2.342 ( -0.647 0.000 1.150) 1.320 2.384 ( -2.425 0.000 -2.454) 3.450 2.384 ( 2.425 0.000 2.454) 3.450 2.518 ( -2.458 0.000 -4.209) 4.874 2.518 ( 2.458 0.000 4.209) 4.874 2.604 ( -0.444 0.000 -3.328) 3.357 2.604 ( 0.444 0.000 3.328) 3.357 2.832 ( 0.462 0.000 -3.806) 3.834 2.832 ( -0.462 0.000 3.806) 3.834 3.042 ( -3.699 0.000 -1.168) 3.879 3.042 ( 3.699 0.000 1.168) 3.879 3.333 ( -8.677 0.000 -1.161) 8.754 3.333 ( 8.677 0.000 1.161) 8.754 3.349 ( 0.652 0.000 -1.217) 1.380 3.349 ( -0.652 0.000 1.217) 1.380 3.384 ( -1.151 0.000 0.111) 1.156 3.384 ( 1.151 0.000 -0.111) 1.156 3.448 ( 0.650 0.000 -1.982) 2.086 3.448 ( -0.650 0.000 1.982) 2.086 3.765 ( 1.576 0.000 -1.173) 1.965 3.765 ( -1.576 0.000 1.173) 1.965 3.885 ( -2.466 0.000 -0.262) 2.480 3.885 ( 2.466 0.000 0.262) 2.480 3.907 ( 2.301 0.000 -2.492) 3.392 3.907 ( -2.301 0.000 2.492) 3.392 3.979 ( 0.430 0.000 -0.877) 0.977 3.979 ( -0.430 0.000 0.877) 0.977 4.097 ( 1.626 0.000 -6.396) 6.600 4.097 ( -1.626 0.000 6.396) 6.600 4.122 ( -0.436 0.000 -4.568) 4.589 4.122 ( 0.436 0.000 4.568) 4.589 4.224 ( -4.278 0.000 -4.505) 6.212 4.224 ( 4.278 0.000 4.505) 6.212 4.339 ( -0.702 0.000 -1.024) 1.242 4.339 ( 0.702 0.000 1.024) 1.242 4.405 ( -3.893 0.000 -1.283) 4.099 4.405 ( 3.893 0.000 1.283) 4.099 4.481 ( 1.550 0.000 -1.765) 2.349 4.481 ( -1.550 0.000 1.765) 2.349 4.641 ( -2.244 0.000 0.416) 2.282 4.641 ( 2.244 0.000 -0.416) 2.282 4.729 ( 0.775 0.000 -4.482) 4.548 4.729 ( -0.775 0.000 4.482) 4.548 4.840 ( -2.590 0.000 -3.302) 4.196 4.840 ( 2.590 0.000 3.302) 4.196 5.157 ( 3.424 0.000 -2.800) 4.423 5.157 ( -3.424 0.000 2.800) 4.423 5.202 ( -4.529 0.000 -0.437) 4.550 5.202 ( 4.529 0.000 0.437) 4.550 5.583 ( 0.409 0.000 -5.651) 5.666 5.583 ( -0.409 0.000 5.651) 5.666 5.802 ( -0.753 0.000 -0.704) 1.031 5.802 ( 0.753 0.000 0.704) 1.031 5.962 ( -1.819 0.000 -1.111) 2.132 5.962 ( 1.819 0.000 1.111) 2.132 6.195 ( -0.777 0.000 -3.177) 3.271 6.195 ( 0.777 0.000 3.177) 3.271 6.355 ( 0.836 0.000 -2.017) 2.183 6.355 ( -0.836 0.000 2.017) 2.183 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -1.890 0.000 -6.818) 7.075 0.408 ( -2.667 0.000 10.720) 11.047 0.564 ( 6.162 0.000 -7.740) 9.893 0.613 ( 5.614 0.000 3.610) 6.675 0.712 ( -0.750 0.000 0.752) 1.062 0.768 ( -0.567 0.000 0.731) 0.925 0.780 ( 0.850 0.000 -0.514) 0.994 0.829 ( 0.961 0.000 -1.080) 1.445 0.927 ( 1.597 0.000 0.686) 1.738 0.940 ( 2.165 0.000 1.596) 2.689 0.996 ( 3.359 0.000 -6.379) 7.210 1.039 ( 1.532 0.000 -2.011) 2.529 1.057 ( -1.013 0.000 1.307) 1.654 1.132 ( -0.242 0.000 -1.636) 1.654 1.138 ( -0.143 0.000 0.178) 0.228 1.148 ( 5.991 0.000 12.187) 13.580 1.187 ( 0.185 0.000 1.887) 1.896 1.200 ( 1.194 0.000 -2.290) 2.583 1.245 ( -1.402 0.000 1.126) 1.798 1.284 ( -0.449 0.000 -1.290) 1.366 1.327 ( 0.446 0.000 -3.821) 3.847 1.379 ( 1.360 0.000 -6.738) 6.874 1.400 ( 4.207 0.000 0.158) 4.210 1.428 ( 2.911 0.000 2.635) 3.926 1.574 ( -2.101 0.000 -2.572) 3.321 1.611 ( 3.574 0.000 2.150) 4.171 1.627 ( 1.994 0.000 5.719) 6.056 1.719 ( 5.888 0.000 -2.950) 6.586 1.857 ( -0.786 0.000 1.361) 1.571 1.905 ( 1.047 0.000 0.128) 1.054 2.013 ( 1.904 0.000 -0.100) 1.906 2.027 ( 0.773 0.000 -3.067) 3.163 2.079 ( -0.751 0.000 2.117) 2.246 2.081 ( -0.487 0.000 1.560) 1.634 2.147 ( -1.308 0.000 -0.765) 1.515 2.167 ( -0.747 0.000 0.841) 1.125 2.294 ( -3.559 0.000 0.260) 3.568 2.297 ( -3.340 0.000 -2.303) 4.057 2.379 ( -0.076 0.000 -1.893) 1.895 2.443 ( 2.665 0.000 1.202) 2.923 2.469 ( -2.610 0.000 -3.781) 4.594 2.541 ( -2.296 0.000 -1.379) 2.679 2.578 ( -0.180 0.000 2.009) 2.017 2.590 ( -1.265 0.000 3.485) 3.707 2.819 ( -0.656 0.000 3.818) 3.874 2.835 ( 0.074 0.000 -1.723) 1.724 2.975 ( -2.877 0.000 -2.272) 3.666 3.092 ( 0.652 0.000 0.621) 0.901 3.153 ( -7.909 0.000 -0.835) 7.953 3.330 ( -1.971 0.000 1.958) 2.778 3.333 ( -0.776 0.000 1.536) 1.721 3.405 ( -0.298 0.000 -2.205) 2.225 3.407 ( 3.092 0.000 -1.888) 3.622 3.432 ( 2.245 0.000 1.088) 2.495 3.474 ( 1.811 0.000 -3.049) 3.547 3.517 ( 6.826 0.000 1.801) 7.060 3.740 ( -7.481 0.000 1.678) 7.667 3.747 ( -0.365 0.000 0.239) 0.436 3.810 ( 1.258 0.000 -1.343) 1.840 3.865 ( -1.980 0.000 1.932) 2.766 3.873 ( -2.684 0.000 -1.672) 3.163 3.934 ( -1.753 0.000 -6.781) 7.004 3.948 ( -2.230 0.000 1.055) 2.467 3.962 ( -2.687 0.000 2.393) 3.598 4.048 ( -1.918 0.000 0.264) 1.936 4.066 ( -5.011 0.000 -2.193) 5.470 4.115 ( -2.453 0.000 0.758) 2.568 4.131 ( 1.264 0.000 2.109) 2.459 4.152 ( 1.102 0.000 -1.194) 1.625 4.253 ( -0.304 0.000 3.347) 3.360 4.368 ( 0.470 0.000 1.288) 1.371 4.369 ( 0.127 0.000 -3.742) 3.744 4.404 ( 5.039 0.000 -1.936) 5.398 4.469 ( -0.458 0.000 0.112) 0.472 4.502 ( 4.737 0.000 4.899) 6.815 4.505 ( -1.130 0.000 0.063) 1.132 4.640 ( 3.697 0.000 -0.458) 3.726 4.649 ( 0.295 0.000 -0.475) 0.559 4.719 ( -0.193 0.000 4.499) 4.503 4.774 ( 4.480 0.000 -6.722) 8.078 4.837 ( 0.589 0.000 -3.891) 3.936 4.915 ( 3.863 0.000 3.136) 4.976 5.097 ( -4.515 0.000 0.960) 4.616 5.124 ( 0.493 0.000 2.708) 2.752 5.243 ( 4.291 0.000 -2.578) 5.006 5.254 ( 0.652 0.000 0.831) 1.056 5.597 ( 1.407 0.000 6.541) 6.691 5.616 ( 2.208 0.000 -7.270) 7.598 5.780 ( -0.941 0.000 -1.072) 1.426 5.796 ( -1.359 0.000 2.175) 2.564 5.937 ( -0.789 0.000 -1.115) 1.366 5.999 ( 1.545 0.000 1.062) 1.875 6.164 ( -2.311 0.000 -1.947) 3.022 6.190 ( -1.451 0.000 3.888) 4.150 6.334 ( -1.114 0.000 1.639) 1.982 6.358 ( -0.499 0.000 -2.509) 2.558 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 2.851 0.000 5.972) 6.618 0.421 ( 4.526 0.000 -3.092) 5.481 0.670 ( 3.887 0.000 -3.491) 5.225 0.691 ( -0.699 0.000 -2.049) 2.165 0.712 ( -0.851 0.000 2.135) 2.298 0.753 ( 4.323 0.000 4.267) 6.074 0.776 ( -1.834 0.000 1.230) 2.208 0.821 ( -0.658 0.000 -5.669) 5.707 0.915 ( -0.887 0.000 0.222) 0.915 0.949 ( -0.887 0.000 1.805) 2.011 1.016 ( -2.860 0.000 -0.850) 2.984 1.018 ( -2.700 0.000 2.461) 3.653 1.047 ( 0.865 0.000 -2.815) 2.945 1.113 ( -2.360 0.000 1.495) 2.794 1.134 ( 1.689 0.000 -2.383) 2.921 1.165 ( 0.087 0.000 0.518) 0.526 1.254 ( 1.873 0.000 -2.242) 2.921 1.259 ( 1.640 0.000 -0.101) 1.643 1.301 ( 2.834 0.000 2.819) 3.997 1.317 ( 3.516 0.000 -0.053) 3.517 1.396 ( 5.887 0.000 -0.655) 5.923 1.407 ( 4.539 0.000 0.991) 4.646 1.440 ( -0.516 0.000 8.014) 8.031 1.547 ( 8.473 0.000 -6.078) 10.427 1.580 ( 3.875 0.000 -7.995) 8.885 1.657 ( 1.367 0.000 2.289) 2.666 1.683 ( 2.432 0.000 2.449) 3.452 1.848 ( 0.475 0.000 2.524) 2.569 1.861 ( 6.718 0.000 0.913) 6.780 1.897 ( -0.846 0.000 1.731) 1.927 1.978 ( -4.579 0.000 -2.464) 5.200 2.034 ( -0.277 0.000 1.781) 1.803 2.092 ( 1.503 0.000 -0.449) 1.569 2.095 ( 0.435 0.000 -1.685) 1.740 2.131 ( 0.266 0.000 0.574) 0.632 2.143 ( -1.807 0.000 3.688) 4.107 2.225 ( -2.970 0.000 -2.453) 3.852 2.253 ( -0.474 0.000 -2.711) 2.752 2.358 ( -2.198 0.000 0.178) 2.205 2.427 ( -1.118 0.000 -3.134) 3.328 2.445 ( -6.066 0.000 -0.229) 6.071 2.469 ( -0.392 0.000 0.172) 0.428 2.577 ( -0.017 0.000 1.677) 1.677 2.584 ( -0.112 0.000 1.115) 1.121 2.825 ( 1.386 0.000 1.416) 1.981 2.845 ( 1.039 0.000 1.264) 1.636 2.930 ( -2.155 0.000 -3.614) 4.207 2.987 ( -6.131 0.000 -0.884) 6.194 3.154 ( 2.843 0.000 0.592) 2.904 3.280 ( -3.099 0.000 2.202) 3.802 3.330 ( 0.646 0.000 3.348) 3.410 3.391 ( -1.187 0.000 -4.610) 4.761 3.462 ( 1.339 0.000 0.819) 1.569 3.483 ( 3.988 0.000 -2.578) 4.748 3.510 ( 2.324 0.000 -4.501) 5.065 3.608 ( 1.938 0.000 5.424) 5.760 3.637 ( -2.602 0.000 2.880) 3.881 3.745 ( -0.172 0.000 0.994) 1.009 3.777 ( -6.499 0.000 -2.881) 7.109 3.817 ( -2.875 0.000 -1.132) 3.090 3.831 ( 0.686 0.000 -1.744) 1.874 3.876 ( -2.581 0.000 -1.165) 2.832 3.903 ( -2.790 0.000 5.451) 6.124 3.927 ( -2.373 0.000 -3.485) 4.216 3.990 ( -0.863 0.000 -0.087) 0.868 4.022 ( -1.330 0.000 -0.536) 1.434 4.113 ( 3.065 0.000 -4.999) 5.863 4.160 ( 1.914 0.000 4.961) 5.317 4.209 ( 3.796 0.000 1.381) 4.039 4.250 ( -0.140 0.000 4.128) 4.131 4.328 ( -3.128 0.000 -3.889) 4.990 4.372 ( 0.221 0.000 2.216) 2.227 4.442 ( -2.541 0.000 1.114) 2.774 4.457 ( -0.343 0.000 -1.664) 1.699 4.530 ( 5.815 0.000 -4.979) 7.655 4.577 ( 1.290 0.000 2.337) 2.669 4.629 ( -3.371 0.000 1.161) 3.566 4.687 ( -2.922 0.000 5.113) 5.889 4.731 ( 5.169 0.000 1.192) 5.304 4.841 ( 1.073 0.000 -3.588) 3.745 4.884 ( 5.118 0.000 -7.473) 9.057 4.967 ( 1.168 0.000 4.059) 4.224 5.081 ( 2.874 0.000 -0.442) 2.908 5.162 ( 2.401 0.000 2.401) 3.396 5.231 ( -2.295 0.000 0.635) 2.381 5.285 ( -0.573 0.000 -1.606) 1.705 5.636 ( 2.601 0.000 7.319) 7.767 5.647 ( 1.710 0.000 -8.102) 8.280 5.763 ( -1.607 0.000 2.607) 3.062 5.768 ( -0.921 0.000 -2.387) 2.558 5.945 ( 1.711 0.000 -0.146) 1.717 6.006 ( -0.845 0.000 -0.745) 1.126 6.118 ( -2.135 0.000 -0.937) 2.332 6.140 ( -3.382 0.000 3.473) 4.847 6.319 ( -0.444 0.000 2.272) 2.315 6.341 ( -1.120 0.000 -2.740) 2.960 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 1.247 0.000 -0.973) 1.581 0.473 ( -1.247 0.000 0.973) 1.581 0.684 ( 2.132 0.000 -4.787) 5.240 0.684 ( -2.132 0.000 4.787) 5.240 0.706 ( -1.374 0.000 -2.265) 2.649 0.706 ( 1.374 0.000 2.265) 2.649 0.850 ( -1.692 0.000 -1.321) 2.147 0.850 ( 1.692 0.000 1.321) 2.147 0.903 ( 1.604 0.000 -5.402) 5.635 0.903 ( -1.604 0.000 5.402) 5.635 0.984 ( -0.580 0.000 0.164) 0.602 0.984 ( 0.580 0.000 -0.164) 0.602 1.068 ( 2.048 0.000 -1.154) 2.351 1.068 ( -2.048 0.000 1.154) 2.351 1.163 ( 0.704 0.000 -2.558) 2.653 1.163 ( -0.704 0.000 2.558) 2.653 1.269 ( 0.090 0.000 -3.523) 3.524 1.269 ( -0.090 0.000 3.523) 3.524 1.344 ( -0.791 0.000 -1.206) 1.442 1.344 ( 0.791 0.000 1.206) 1.442 1.418 ( 1.184 0.000 -7.769) 7.859 1.418 ( -1.184 0.000 7.769) 7.859 1.560 ( -5.030 0.000 -5.701) 7.602 1.560 ( 5.030 0.000 5.701) 7.602 1.676 ( -0.324 0.000 -0.796) 0.860 1.676 ( 0.324 0.000 0.796) 0.860 1.771 ( 9.097 0.000 -3.982) 9.930 1.771 ( -9.097 0.000 3.982) 9.930 1.893 ( -3.773 0.000 -2.960) 4.796 1.893 ( 3.773 0.000 2.960) 4.796 2.005 ( -3.867 0.000 0.307) 3.880 2.005 ( 3.867 0.000 -0.307) 3.880 2.105 ( 0.086 0.000 -3.236) 3.237 2.105 ( -0.086 0.000 3.236) 3.237 2.113 ( -1.066 0.000 -0.201) 1.085 2.113 ( 1.066 0.000 0.201) 1.085 2.238 ( 2.968 0.000 -1.328) 3.252 2.238 ( -2.968 0.000 1.328) 3.252 2.345 ( 3.047 0.000 -2.077) 3.687 2.345 ( -3.047 0.000 2.077) 3.687 2.440 ( 2.022 0.000 -1.210) 2.356 2.440 ( -2.022 0.000 1.210) 2.356 2.581 ( -0.161 0.000 -0.404) 0.434 2.581 ( 0.161 0.000 0.404) 0.434 2.857 ( 1.060 0.000 -2.720) 2.920 2.857 ( -1.060 0.000 2.720) 2.920 2.909 ( 1.588 0.000 -3.299) 3.661 2.909 ( -1.588 0.000 3.299) 3.661 3.216 ( -3.555 0.000 0.786) 3.641 3.216 ( 3.555 0.000 -0.786) 3.641 3.358 ( -1.995 0.000 -4.924) 5.313 3.358 ( 1.995 0.000 4.924) 5.313 3.492 ( -1.529 0.000 -1.035) 1.846 3.492 ( 1.529 0.000 1.035) 1.846 3.590 ( 3.690 0.000 -7.456) 8.319 3.590 ( -3.690 0.000 7.456) 8.319 3.652 ( -4.320 0.000 -4.479) 6.223 3.652 ( 4.320 0.000 4.479) 6.223 3.772 ( -1.810 0.000 -0.590) 1.903 3.772 ( 1.810 0.000 0.590) 1.903 3.843 ( 0.830 0.000 -0.391) 0.918 3.843 ( -0.830 0.000 0.391) 0.918 3.882 ( -0.947 0.000 -4.340) 4.442 3.882 ( 0.947 0.000 4.340) 4.442 3.998 ( 0.987 0.000 -2.159) 2.374 3.998 ( -0.987 0.000 2.159) 2.374 4.182 ( 1.574 0.000 -7.099) 7.271 4.182 ( -1.574 0.000 7.099) 7.271 4.246 ( -0.496 0.000 -1.624) 1.698 4.246 ( 0.496 0.000 1.624) 1.698 4.329 ( -4.280 0.000 -1.054) 4.408 4.329 ( 4.280 0.000 1.054) 4.408 4.441 ( -1.728 0.000 -1.662) 2.397 4.441 ( 1.728 0.000 1.662) 2.397 4.569 ( 0.516 0.000 -2.424) 2.478 4.569 ( -0.516 0.000 2.424) 2.478 4.629 ( 3.533 0.000 -6.310) 7.232 4.629 ( -3.533 0.000 6.310) 7.232 4.823 ( -3.399 0.000 -2.258) 4.080 4.823 ( 3.399 0.000 2.258) 4.080 4.957 ( 2.219 0.000 -5.645) 6.066 4.957 ( -2.219 0.000 5.645) 6.066 5.152 ( 3.424 0.000 -1.907) 3.919 5.152 ( -3.424 0.000 1.907) 3.919 5.237 ( -3.085 0.000 -0.817) 3.191 5.237 ( 3.085 0.000 0.817) 3.191 5.671 ( -0.133 0.000 -8.531) 8.532 5.671 ( 0.133 0.000 8.531) 8.532 5.750 ( -0.349 0.000 -2.420) 2.445 5.750 ( 0.349 0.000 2.420) 2.445 5.980 ( -1.583 0.000 -2.374) 2.853 5.980 ( 1.583 0.000 2.374) 2.853 6.097 ( 0.415 0.000 -1.559) 1.614 6.097 ( -0.415 0.000 1.559) 1.614 6.321 ( -0.725 0.000 -2.964) 3.052 6.321 ( 0.725 0.000 2.964) 3.052 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 2.906 2.769 -5.393) 6.723 0.501 ( -2.906 2.769 5.393) 6.723 0.577 ( 1.046 5.968 -7.168) 9.385 0.577 ( -1.046 5.968 7.168) 9.385 0.753 ( -0.521 -1.309 -2.207) 2.618 0.753 ( 0.521 -1.309 2.207) 2.618 0.793 ( -1.285 3.782 -1.513) 4.272 0.793 ( 1.285 3.782 1.513) 4.272 0.912 ( -0.682 0.415 -0.525) 0.956 0.912 ( 0.682 0.415 0.525) 0.956 0.979 ( -0.698 0.802 -2.073) 2.329 0.979 ( 0.698 0.802 2.073) 2.329 1.099 ( -2.769 0.948 -4.103) 5.040 1.099 ( 2.769 0.948 4.103) 5.040 1.140 ( -0.504 -0.318 -1.264) 1.397 1.140 ( 0.504 -0.318 1.264) 1.397 1.206 ( 0.567 0.793 -1.425) 1.726 1.206 ( -0.567 0.793 1.425) 1.726 1.285 ( -2.658 0.197 -0.723) 2.762 1.285 ( 2.658 0.197 0.723) 2.762 1.323 ( -2.881 -3.412 -4.003) 5.997 1.323 ( 2.881 -3.412 4.003) 5.997 1.384 ( -0.694 2.816 -4.828) 5.632 1.384 ( 0.694 2.816 4.828) 5.632 1.528 ( -0.069 -4.287 -4.660) 6.332 1.528 ( 0.069 -4.287 4.660) 6.332 1.621 ( 1.162 -0.942 -4.497) 4.739 1.621 ( -1.162 -0.942 4.497) 4.739 1.908 ( 0.691 2.451 -1.195) 2.813 1.908 ( -0.691 2.451 1.195) 2.813 1.999 ( -2.166 -0.045 -2.094) 3.013 1.999 ( 2.166 -0.045 2.094) 3.013 2.083 ( -0.676 -2.042 -0.347) 2.178 2.083 ( 0.676 -2.042 0.347) 2.178 2.191 ( 1.635 1.481 -1.449) 2.640 2.191 ( -1.635 1.481 1.449) 2.640 2.357 ( -1.674 -0.423 -2.531) 3.064 2.357 ( 1.674 -0.423 2.531) 3.064 2.372 ( -0.630 1.431 -1.816) 2.396 2.372 ( 0.630 1.431 1.816) 2.396 2.482 ( -1.870 -2.853 -3.061) 4.583 2.482 ( 1.870 -2.853 3.061) 4.583 2.634 ( -0.267 1.738 -2.702) 3.223 2.634 ( 0.267 1.738 2.702) 3.223 2.782 ( 0.360 -3.457 -3.540) 4.961 2.782 ( -0.360 -3.457 3.540) 4.961 3.038 ( -2.008 -0.532 -1.549) 2.591 3.038 ( 2.008 -0.532 1.549) 2.591 3.221 ( -0.787 -7.226 -1.218) 7.370 3.221 ( 0.787 -7.226 1.218) 7.370 3.306 ( 0.937 -1.896 -3.447) 4.044 3.306 ( -0.937 -1.896 3.447) 4.044 3.436 ( -0.252 1.751 -3.654) 4.059 3.436 ( 0.252 1.751 3.654) 4.059 3.476 ( 2.462 1.196 -5.463) 6.111 3.476 ( -2.462 1.196 5.463) 6.111 3.684 ( 0.537 -5.675 -4.521) 7.275 3.684 ( -0.537 -5.675 4.521) 7.275 3.882 ( 1.441 -2.209 -4.335) 5.074 3.882 ( -1.441 -2.209 4.335) 5.074 3.910 ( -1.272 0.508 -2.749) 3.072 3.910 ( 1.272 0.508 2.749) 3.072 3.961 ( 2.853 0.140 -6.104) 6.739 3.961 ( -2.853 0.140 6.104) 6.739 4.104 ( -0.803 -0.314 -3.332) 3.442 4.104 ( 0.803 -0.314 3.332) 3.442 4.153 ( -0.978 3.124 -4.348) 5.443 4.153 ( 0.978 3.124 4.348) 5.443 4.238 ( -3.705 -1.894 -2.814) 5.023 4.238 ( 3.705 -1.894 2.814) 5.023 4.337 ( -1.071 0.753 -2.532) 2.850 4.337 ( 1.071 0.753 2.532) 2.850 4.408 ( -3.662 -0.543 -3.180) 4.880 4.408 ( 3.662 -0.543 3.180) 4.880 4.498 ( 1.596 1.769 -1.657) 2.902 4.498 ( -1.596 1.769 1.657) 2.902 4.570 ( -2.451 -0.634 -1.063) 2.746 4.570 ( 2.451 -0.634 1.063) 2.746 4.788 ( -3.382 1.121 -1.122) 3.736 4.788 ( 3.382 1.121 1.122) 3.736 4.860 ( -0.086 1.460 -3.859) 4.127 4.860 ( 0.086 1.460 3.859) 4.127 5.145 ( -2.639 -0.055 -0.258) 2.652 5.145 ( 2.639 -0.055 0.258) 2.652 5.236 ( -2.344 2.793 -0.449) 3.674 5.236 ( 2.344 2.793 0.449) 3.674 5.564 ( 1.526 -1.761 -4.532) 5.096 5.564 ( -1.526 -1.761 4.532) 5.096 5.762 ( -0.023 -2.302 -1.383) 2.686 5.762 ( 0.023 -2.302 1.383) 2.686 5.900 ( -1.822 -4.397 -3.116) 5.689 5.900 ( 1.822 -4.397 3.116) 5.689 6.247 ( -1.590 3.356 -1.983) 4.210 6.247 ( 1.590 3.356 1.983) 4.210 6.377 ( 0.526 0.980 -1.008) 1.501 6.377 ( -0.526 0.980 1.008) 1.501 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -1.110 4.214 1.461) 4.596 0.469 ( -4.449 5.948 2.263) 7.765 0.573 ( 3.841 0.981 -4.642) 6.105 0.636 ( 2.595 2.329 -0.691) 3.555 0.731 ( -0.996 0.821 -0.541) 1.399 0.767 ( 0.533 0.091 1.861) 1.938 0.799 ( 0.865 1.099 0.573) 1.511 0.841 ( 1.856 2.835 -1.260) 3.615 0.929 ( 1.296 0.079 -0.102) 1.303 0.951 ( 0.943 0.387 1.385) 1.719 1.000 ( 1.403 -0.930 -0.213) 1.697 1.015 ( 1.357 -0.694 -2.084) 2.582 1.049 ( -0.951 -0.136 0.212) 0.984 1.106 ( -1.571 -0.567 -0.465) 1.733 1.147 ( -1.607 -1.065 -0.863) 2.112 1.164 ( 3.538 -1.001 0.865) 3.777 1.201 ( -0.204 1.140 1.754) 2.101 1.233 ( 5.587 3.339 8.045) 10.348 1.251 ( -1.345 2.063 -2.884) 3.792 1.280 ( 1.072 0.045 -1.275) 1.666 1.328 ( 1.685 -3.255 -5.092) 6.274 1.369 ( -0.331 2.350 -0.401) 2.407 1.414 ( 4.605 -2.339 -0.055) 5.166 1.448 ( 5.416 4.476 -3.413) 7.811 1.510 ( -2.516 -2.813 0.876) 3.874 1.544 ( 3.220 -4.998 2.375) 6.403 1.629 ( 3.414 -0.474 4.174) 5.413 1.667 ( 2.802 -2.373 -1.521) 3.975 1.892 ( -0.025 1.603 0.505) 1.680 1.953 ( 2.497 1.372 -0.137) 2.852 1.963 ( -1.110 -0.363 -0.781) 1.405 2.058 ( -1.351 -2.018 0.630) 2.509 2.069 ( 3.537 1.082 0.416) 3.722 2.090 ( -0.109 -1.031 0.736) 1.271 2.144 ( -2.446 0.316 0.892) 2.623 2.207 ( -0.308 2.683 -0.867) 2.837 2.284 ( -3.784 -0.555 -2.179) 4.402 2.327 ( -2.877 2.043 -0.129) 3.531 2.376 ( -0.643 -0.002 -0.894) 1.101 2.417 ( 1.151 -0.953 -0.857) 1.723 2.447 ( -1.188 -1.836 -1.954) 2.933 2.513 ( 0.880 -3.185 1.233) 3.527 2.595 ( -2.988 2.114 0.396) 3.682 2.614 ( -2.286 1.002 1.757) 3.052 2.763 ( -0.057 -3.137 2.209) 3.838 2.817 ( 1.720 -2.545 0.291) 3.085 2.979 ( -2.862 0.236 -1.717) 3.346 3.076 ( 1.132 -1.200 0.615) 1.761 3.148 ( -7.192 -0.491 0.129) 7.210 3.225 ( -0.976 -6.349 -1.490) 6.594 3.243 ( 1.135 -6.050 1.638) 6.370 3.393 ( 1.398 -1.702 -4.723) 5.211 3.430 ( 0.645 -1.611 1.353) 2.200 3.446 ( 1.644 1.404 1.171) 2.458 3.475 ( 1.862 1.919 -0.514) 2.723 3.540 ( 3.691 0.480 -0.904) 3.831 3.650 ( -1.157 -6.544 1.145) 6.743 3.721 ( 1.125 -4.856 -1.521) 5.211 3.756 ( -8.031 0.250 2.135) 8.314 3.852 ( -3.500 -3.110 -2.636) 5.373 3.873 ( -3.173 -0.452 1.371) 3.486 3.895 ( -1.853 -1.041 1.376) 2.532 3.940 ( -0.761 -0.128 -0.292) 0.825 3.976 ( -1.143 -0.409 -3.114) 3.342 4.042 ( -4.926 -0.523 0.418) 4.972 4.064 ( -0.924 -0.738 -0.587) 1.320 4.115 ( -4.299 2.064 0.521) 4.797 4.186 ( 0.938 1.877 -0.465) 2.149 4.211 ( 1.310 2.888 1.383) 3.459 4.300 ( 0.189 1.056 2.397) 2.626 4.320 ( -0.694 -3.361 1.988) 3.966 4.338 ( -0.029 0.212 -4.727) 4.732 4.411 ( 4.673 2.048 0.112) 5.103 4.444 ( -3.789 -2.882 0.516) 4.789 4.482 ( 1.445 -2.772 -0.110) 3.128 4.541 ( 2.147 3.247 -1.373) 4.127 4.599 ( 5.836 0.690 -0.035) 5.877 4.640 ( 4.024 1.784 2.385) 5.007 4.752 ( 0.919 2.313 -1.618) 2.969 4.857 ( 3.148 0.391 0.937) 3.307 4.892 ( 2.711 1.616 -2.039) 3.758 4.920 ( 4.508 3.934 2.600) 6.523 5.108 ( -0.245 0.962 -0.857) 1.312 5.150 ( -3.444 3.005 2.329) 5.130 5.230 ( 3.166 -0.610 -1.660) 3.627 5.257 ( -0.313 0.783 0.895) 1.229 5.549 ( -0.178 -3.455 4.650) 5.796 5.602 ( 1.447 -2.385 -5.712) 6.357 5.747 ( -0.068 -1.539 0.706) 1.695 5.777 ( 0.818 -1.688 0.632) 1.979 5.856 ( -1.691 -4.788 -1.890) 5.418 5.945 ( 1.722 -3.943 0.391) 4.320 6.199 ( -3.095 2.794 -0.912) 4.268 6.260 ( -0.894 3.873 3.846) 5.531 6.347 ( -2.083 0.004 -0.799) 2.231 6.372 ( -0.810 1.090 -0.693) 1.525 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.747 2.076 2.340) 3.216 0.463 ( 0.971 2.719 0.385) 2.913 0.639 ( 2.646 -1.181 -1.080) 3.092 0.672 ( 0.546 -0.790 -4.022) 4.135 0.732 ( -0.696 0.653 -0.374) 1.025 0.767 ( 2.015 1.758 2.113) 3.408 0.786 ( -2.348 1.762 2.291) 3.724 0.882 ( 3.009 4.146 -2.804) 5.840 0.918 ( -1.330 0.595 -0.151) 1.465 0.940 ( -1.419 -0.782 1.869) 2.474 0.984 ( -1.681 -1.579 0.974) 2.503 1.024 ( 0.450 -0.785 -1.642) 1.874 1.048 ( -2.196 0.917 0.197) 2.388 1.092 ( -0.434 -0.973 1.166) 1.579 1.127 ( 0.772 -1.250 -1.012) 1.783 1.189 ( -1.778 -0.370 -0.129) 1.820 1.222 ( 1.175 -1.291 -1.406) 2.241 1.241 ( 2.577 -2.139 -0.756) 3.434 1.313 ( 2.242 0.532 1.798) 2.923 1.351 ( 0.144 -1.422 -4.096) 4.338 1.372 ( 1.456 1.025 -2.414) 2.999 1.404 ( 7.729 0.473 7.278) 10.627 1.439 ( -1.608 1.017 3.834) 4.280 1.510 ( 3.759 -3.718 -3.121) 6.139 1.611 ( 9.017 3.660 -5.963) 11.413 1.628 ( 5.197 -0.638 0.222) 5.240 1.694 ( 2.624 -0.027 3.905) 4.705 1.746 ( 5.470 -4.251 2.086) 7.235 1.896 ( -0.469 1.093 0.531) 1.303 1.935 ( -2.823 -3.148 -1.350) 4.439 1.979 ( 0.829 3.579 0.420) 3.698 2.049 ( 0.345 0.228 1.410) 1.469 2.080 ( -0.702 -1.066 0.597) 1.409 2.095 ( -0.190 0.176 1.064) 1.095 2.121 ( -0.711 -1.012 -0.506) 1.337 2.181 ( -2.691 2.846 0.517) 3.951 2.241 ( -0.617 0.706 -2.610) 2.773 2.288 ( 0.590 2.286 -1.087) 2.599 2.339 ( -3.321 -1.149 0.214) 3.520 2.396 ( -0.761 -1.290 -4.001) 4.272 2.453 ( -0.334 -0.676 1.203) 1.420 2.474 ( -4.648 0.253 -0.301) 4.664 2.565 ( -0.340 -0.886 0.528) 1.085 2.569 ( -1.657 -0.406 1.575) 2.322 2.786 ( 2.500 -2.382 2.842) 4.472 2.851 ( 2.134 -1.142 1.600) 2.902 2.924 ( -3.355 0.032 -2.693) 4.303 3.007 ( -6.170 1.631 -2.824) 6.978 3.118 ( 2.353 -2.732 2.013) 4.130 3.204 ( -1.487 -6.322 -1.799) 6.739 3.269 ( 1.656 -4.506 3.311) 5.831 3.368 ( -2.428 -2.023 -2.980) 4.344 3.455 ( 1.407 -0.854 1.288) 2.089 3.495 ( 0.813 1.285 -4.348) 4.606 3.519 ( 4.005 -0.341 -1.334) 4.235 3.594 ( 0.478 -0.921 2.169) 2.405 3.610 ( -1.884 -2.106 1.019) 3.004 3.680 ( 0.978 -5.811 -1.781) 6.156 3.725 ( -2.070 -4.744 2.103) 5.586 3.772 ( -3.248 -1.294 -0.206) 3.502 3.808 ( -3.301 -1.028 3.461) 4.892 3.869 ( -2.604 0.285 -3.492) 4.365 3.913 ( -2.329 0.644 0.942) 2.593 3.953 ( 1.402 -2.726 -0.617) 3.126 3.990 ( -0.995 -2.566 4.028) 4.879 4.007 ( -3.446 2.401 -1.327) 4.405 4.074 ( 0.136 -0.875 -3.765) 3.868 4.202 ( -1.255 0.519 0.663) 1.511 4.218 ( 0.029 -0.533 1.208) 1.321 4.260 ( -1.303 0.747 4.154) 4.417 4.317 ( -1.626 1.319 -5.234) 5.637 4.347 ( -2.077 -3.478 -3.862) 5.597 4.389 ( 2.027 -1.516 3.033) 3.950 4.488 ( 1.008 -4.616 2.886) 5.537 4.527 ( 3.960 4.149 0.758) 5.786 4.585 ( 3.975 4.596 -3.461) 6.993 4.653 ( -1.178 3.952 1.751) 4.480 4.721 ( 3.692 1.257 0.306) 3.912 4.806 ( 3.217 4.262 -0.639) 5.378 4.878 ( -1.363 2.935 0.277) 3.248 4.933 ( 2.365 0.710 -0.740) 2.578 5.001 ( 3.090 5.290 1.506) 6.309 5.098 ( 0.946 2.239 -1.596) 2.908 5.169 ( 3.732 -0.044 1.033) 3.873 5.216 ( -3.394 -0.479 0.959) 3.559 5.271 ( 0.296 -1.265 -0.158) 1.309 5.557 ( 0.800 -5.662 3.635) 6.776 5.598 ( -1.261 -4.864 -4.701) 6.881 5.758 ( 0.825 0.024 1.274) 1.518 5.791 ( -0.241 0.664 -1.237) 1.424 5.864 ( 3.348 -4.956 -0.182) 5.984 5.967 ( 0.727 -2.976 -0.976) 3.215 6.135 ( -3.257 1.789 -1.101) 3.876 6.199 ( -4.955 3.178 4.370) 7.332 6.324 ( -0.271 -0.077 -1.283) 1.313 6.353 ( -1.179 0.820 -0.149) 1.443 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -1.307 -0.460 -1.802) 2.272 0.465 ( 1.307 -0.460 1.802) 2.272 0.666 ( -0.932 -1.751 -2.441) 3.145 0.666 ( 0.932 -1.751 2.441) 3.145 0.734 ( 1.994 3.208 -5.330) 6.533 0.734 ( -1.994 3.208 5.330) 6.533 0.848 ( -4.812 1.154 -1.555) 5.187 0.848 ( 4.812 1.154 1.555) 5.187 0.935 ( 0.221 0.497 -2.802) 2.854 0.935 ( -0.221 0.497 2.802) 2.854 0.983 ( -2.636 1.074 -0.536) 2.896 0.983 ( 2.636 1.074 0.536) 2.896 1.058 ( -0.742 -0.536 -0.299) 0.963 1.058 ( 0.742 -0.536 0.299) 0.963 1.154 ( -0.665 -1.449 -2.540) 2.999 1.154 ( 0.665 -1.449 2.540) 2.999 1.254 ( -0.316 -2.566 -1.838) 3.172 1.254 ( 0.316 -2.566 1.838) 3.172 1.341 ( -0.358 -0.575 -4.937) 4.983 1.341 ( 0.358 -0.575 4.937) 4.983 1.402 ( 1.406 0.279 -4.172) 4.411 1.402 ( -1.406 0.279 4.172) 4.411 1.524 ( -3.128 -2.281 -3.466) 5.196 1.524 ( 3.128 -2.281 3.466) 5.196 1.687 ( 0.753 0.696 -2.374) 2.586 1.687 ( -0.753 0.696 2.374) 2.586 1.804 ( 1.500 1.766 -3.109) 3.877 1.804 ( -1.500 1.766 3.109) 3.877 1.861 ( -4.235 -1.810 -2.327) 5.159 1.861 ( 4.235 -1.810 2.327) 5.159 2.027 ( -1.165 1.750 -1.408) 2.530 2.027 ( 1.165 1.750 1.408) 2.530 2.077 ( 0.354 -1.965 -1.426) 2.454 2.077 ( -0.354 -1.965 1.426) 2.454 2.135 ( -1.745 0.776 -1.744) 2.586 2.135 ( 1.745 0.776 1.744) 2.586 2.257 ( -1.065 0.725 -1.312) 1.839 2.257 ( 1.065 0.725 1.312) 1.839 2.367 ( -0.914 1.991 -2.151) 3.070 2.367 ( 0.914 1.991 2.151) 3.070 2.422 ( 2.213 -1.129 -2.628) 3.616 2.422 ( -2.213 -1.129 2.628) 3.616 2.560 ( 0.109 -1.498 -1.361) 2.027 2.560 ( -0.109 -1.498 1.361) 2.027 2.851 ( -3.516 -1.492 -3.924) 5.476 2.851 ( 3.516 -1.492 3.924) 5.476 2.909 ( -3.109 0.739 -4.308) 5.364 2.909 ( 3.109 0.739 4.308) 5.364 3.167 ( -2.100 -4.353 -2.236) 5.325 3.167 ( 2.100 -4.353 2.236) 5.325 3.313 ( -2.440 -3.431 -4.905) 6.464 3.313 ( 2.440 -3.431 4.905) 6.464 3.485 ( -1.187 -0.823 -3.503) 3.789 3.485 ( 1.187 -0.823 3.503) 3.789 3.573 ( -1.118 -0.866 -2.966) 3.286 3.573 ( 1.118 -0.866 2.966) 3.286 3.648 ( -1.418 -1.909 -3.636) 4.345 3.648 ( 1.418 -1.909 3.636) 4.345 3.722 ( 0.552 -4.643 -3.163) 5.645 3.722 ( -0.552 -4.643 3.163) 5.645 3.801 ( -2.818 1.444 -3.277) 4.557 3.801 ( 2.818 1.444 3.277) 4.557 3.925 ( -1.915 -0.433 -1.624) 2.548 3.925 ( 1.915 -0.433 1.624) 2.548 3.989 ( -0.341 -0.931 -5.230) 5.323 3.989 ( 0.341 -0.931 5.230) 5.323 4.133 ( -4.729 -4.125 0.673) 6.311 4.133 ( 4.729 -4.125 -0.673) 6.311 4.229 ( -0.902 -0.817 -1.570) 1.986 4.229 ( 0.902 -0.817 1.570) 1.986 4.310 ( 0.194 1.811 -2.054) 2.745 4.310 ( -0.194 1.811 2.054) 2.745 4.457 ( 0.399 -4.338 -2.353) 4.951 4.457 ( -0.399 -4.338 2.353) 4.951 4.601 ( -3.430 5.411 -0.121) 6.408 4.601 ( 3.430 5.411 0.121) 6.408 4.692 ( -0.509 6.262 -0.976) 6.358 4.692 ( 0.509 6.262 0.976) 6.358 4.853 ( -1.428 1.197 -0.984) 2.107 4.853 ( 1.428 1.197 0.984) 2.107 4.995 ( -0.259 3.556 -3.281) 4.845 4.995 ( 0.259 3.556 3.281) 4.845 5.147 ( -0.570 -0.423 -1.458) 1.622 5.147 ( 0.570 -0.423 1.458) 1.622 5.241 ( -2.929 0.262 -0.768) 3.039 5.241 ( 2.929 0.262 0.768) 3.039 5.574 ( -0.473 -6.974 -6.197) 9.342 5.574 ( 0.473 -6.974 6.197) 9.342 5.776 ( -1.015 0.629 -2.286) 2.579 5.776 ( 1.015 0.629 2.286) 2.579 5.945 ( -2.756 -2.509 -2.506) 4.491 5.945 ( 2.756 -2.509 2.506) 4.491 6.118 ( 2.413 1.790 -2.782) 4.094 6.118 ( -2.413 1.790 2.782) 4.094 6.331 ( -0.030 0.407 -2.592) 2.624 6.331 ( 0.030 0.407 2.592) 2.624 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.993 2.577 -1.781) 3.286 0.563 ( -0.993 2.577 1.781) 3.286 0.686 ( -3.848 1.482 -0.047) 4.124 0.686 ( 3.848 1.482 0.047) 4.124 0.739 ( -2.352 2.321 -4.382) 5.488 0.739 ( 2.352 2.321 4.382) 5.488 0.905 ( 1.237 5.798 -1.657) 6.156 0.905 ( -1.237 5.798 1.657) 6.156 0.918 ( -1.313 0.532 -1.034) 1.754 0.918 ( 1.313 0.532 1.034) 1.754 1.000 ( 0.268 1.268 -0.375) 1.349 1.000 ( -0.268 1.268 0.375) 1.349 1.079 ( -0.221 -2.097 -0.720) 2.228 1.079 ( 0.221 -2.097 0.720) 2.228 1.124 ( -1.121 -1.507 -1.651) 2.501 1.124 ( 1.121 -1.507 1.651) 2.501 1.211 ( -1.494 -4.765 -4.319) 6.602 1.211 ( 1.494 -4.765 4.319) 6.602 1.249 ( -0.100 -2.192 -2.467) 3.302 1.249 ( 0.100 -2.192 2.467) 3.302 1.301 ( 3.075 3.457 -2.601) 5.308 1.301 ( -3.075 3.457 2.601) 5.308 1.431 ( -3.040 -1.460 -2.973) 4.496 1.431 ( 3.040 -1.460 2.973) 4.496 1.533 ( 0.513 7.733 -6.011) 9.808 1.533 ( -0.513 7.733 6.011) 9.808 1.609 ( -1.930 0.059 -5.059) 5.415 1.609 ( 1.930 0.059 5.059) 5.415 1.950 ( -2.273 -3.859 -1.774) 4.818 1.950 ( 2.273 -3.859 1.774) 4.818 1.964 ( 0.860 0.525 -1.486) 1.796 1.964 ( -0.860 0.525 1.486) 1.796 2.043 ( -1.508 -0.375 -1.280) 2.014 2.043 ( 1.508 -0.375 1.280) 2.014 2.184 ( -2.089 -1.670 -0.083) 2.675 2.184 ( 2.089 -1.670 0.083) 2.675 2.336 ( 1.603 -2.173 -2.446) 3.643 2.336 ( -1.603 -2.173 2.446) 3.643 2.401 ( -1.132 -0.127 -0.542) 1.261 2.401 ( 1.132 -0.127 0.542) 1.261 2.449 ( -1.291 1.393 -3.013) 3.561 2.449 ( 1.291 1.393 3.013) 3.561 2.653 ( 0.033 0.092 -2.487) 2.489 2.653 ( -0.033 0.092 2.487) 2.489 2.736 ( -1.306 -0.508 -0.187) 1.414 2.736 ( 1.306 -0.508 0.187) 1.414 2.978 ( -0.958 -5.698 -0.935) 5.853 2.978 ( 0.958 -5.698 0.935) 5.853 3.118 ( -0.187 -0.801 -2.245) 2.391 3.118 ( 0.187 -0.801 2.245) 2.391 3.274 ( 2.659 -1.680 -4.196) 5.244 3.274 ( -2.659 -1.680 4.196) 5.244 3.440 ( -0.573 -0.378 -2.749) 2.834 3.440 ( 0.573 -0.378 2.749) 2.834 3.503 ( 0.038 1.595 -3.527) 3.871 3.503 ( -0.038 1.595 3.527) 3.871 3.591 ( -0.953 -2.727 -6.655) 7.255 3.591 ( 0.953 -2.727 6.655) 7.255 3.808 ( -2.627 -4.018 -7.172) 8.630 3.808 ( 2.627 -4.018 7.172) 8.630 3.909 ( -3.547 -0.299 -4.376) 5.641 3.909 ( 3.547 -0.299 4.376) 5.641 3.966 ( -3.037 -0.995 -0.971) 3.340 3.966 ( 3.037 -0.995 0.971) 3.340 4.093 ( -3.205 -0.777 -2.351) 4.050 4.093 ( 3.205 -0.777 2.351) 4.050 4.176 ( 2.602 0.541 -3.282) 4.223 4.176 ( -2.602 0.541 3.282) 4.223 4.225 ( -0.579 1.783 -4.020) 4.436 4.225 ( 0.579 1.783 4.020) 4.436 4.354 ( -1.767 0.379 -2.988) 3.492 4.354 ( 1.767 0.379 2.988) 3.492 4.417 ( -1.659 0.615 -1.659) 2.425 4.417 ( 1.659 0.615 1.659) 2.425 4.513 ( -4.462 0.439 -1.133) 4.624 4.513 ( 4.462 0.439 1.133) 4.624 4.612 ( -1.061 1.538 -1.676) 2.510 4.612 ( 1.061 1.538 1.676) 2.510 4.760 ( -2.682 -1.798 -5.086) 6.024 4.760 ( 2.682 -1.798 5.086) 6.024 4.909 ( 2.174 2.633 -2.810) 4.421 4.909 ( -2.174 2.633 2.810) 4.421 5.181 ( -0.575 3.025 -4.357) 5.335 5.181 ( 0.575 3.025 4.357) 5.335 5.298 ( 1.843 2.546 -3.624) 4.797 5.298 ( -1.843 2.546 3.624) 4.797 5.502 ( 0.775 -4.011 -2.252) 4.665 5.502 ( -0.775 -4.011 2.252) 4.665 5.730 ( 0.409 -0.989 -2.745) 2.946 5.730 ( -0.409 -0.989 2.745) 2.946 5.821 ( -0.616 -2.336 -3.142) 3.964 5.821 ( 0.616 -2.336 3.142) 3.964 6.305 ( 1.239 1.855 -1.411) 2.639 6.305 ( -1.239 1.855 1.411) 2.639 6.376 ( 0.493 -0.737 -1.994) 2.182 6.376 ( -0.493 -0.737 1.994) 2.182 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -1.096 2.693 0.253) 2.919 0.581 ( -4.303 1.928 0.201) 4.720 0.605 ( 0.445 2.883 0.360) 2.939 0.697 ( -1.864 0.682 -3.167) 3.737 0.739 ( 1.771 2.096 -1.283) 3.029 0.784 ( 2.177 2.676 2.777) 4.429 0.868 ( -1.144 3.986 -0.215) 4.153 0.925 ( 1.621 2.837 -0.715) 3.344 0.932 ( 1.212 1.856 0.361) 2.246 0.948 ( -0.797 0.038 -0.152) 0.812 0.980 ( -0.900 0.076 1.141) 1.456 1.012 ( 0.877 -0.075 -0.372) 0.956 1.051 ( -0.880 0.408 -0.241) 0.999 1.084 ( -0.692 -1.820 -0.713) 2.073 1.113 ( -0.452 -1.688 -1.161) 2.098 1.149 ( 0.830 -1.028 1.432) 1.948 1.211 ( 0.863 -4.539 -4.363) 6.355 1.227 ( -3.011 0.900 2.004) 3.727 1.249 ( 0.576 -2.323 0.411) 2.428 1.259 ( 2.170 -2.149 3.037) 4.307 1.294 ( 4.616 -2.547 -0.294) 5.280 1.358 ( 0.996 0.913 -2.701) 3.020 1.433 ( 3.830 -0.610 -1.692) 4.231 1.495 ( 4.194 4.000 5.483) 7.978 1.540 ( 0.671 5.847 -0.010) 5.885 1.574 ( 0.996 -2.716 -2.871) 4.076 1.607 ( 5.549 8.351 -2.447) 10.321 1.648 ( 2.239 -0.538 4.929) 5.440 1.894 ( -2.521 -4.293 -0.185) 4.982 1.928 ( -1.116 1.279 0.258) 1.717 1.985 ( 0.768 -2.495 1.795) 3.168 2.008 ( 1.121 -0.904 0.165) 1.449 2.041 ( 1.437 -2.242 -2.182) 3.443 2.086 ( 2.664 0.047 1.710) 3.165 2.138 ( -2.108 -0.333 -0.359) 2.164 2.213 ( 0.798 -1.612 -0.796) 1.967 2.283 ( -3.260 -0.316 2.589) 4.175 2.337 ( -1.693 -3.525 -1.711) 4.269 2.382 ( -1.700 1.925 0.640) 2.647 2.405 ( -1.907 0.429 -3.963) 4.419 2.430 ( 1.388 0.121 -0.036) 1.393 2.460 ( -0.338 -0.792 0.797) 1.173 2.626 ( -2.641 0.245 1.491) 3.043 2.629 ( -2.328 0.562 0.277) 2.411 2.719 ( -0.007 -0.276 1.129) 1.162 2.771 ( 2.053 -1.229 0.386) 2.423 2.957 ( -1.271 -3.542 -0.957) 3.883 2.995 ( 0.999 -6.029 1.330) 6.255 3.096 ( -1.485 -0.944 -0.596) 1.858 3.134 ( -0.120 -2.409 0.243) 2.425 3.212 ( -2.939 1.854 -0.479) 3.508 3.336 ( 1.939 -3.270 -5.858) 6.983 3.401 ( -0.853 0.023 -0.093) 0.858 3.457 ( 0.645 0.116 -0.131) 0.669 3.503 ( 0.846 -1.492 0.369) 1.754 3.523 ( 0.851 -1.606 -0.068) 1.819 3.546 ( -0.882 -1.049 0.447) 1.441 3.645 ( 1.674 -1.721 2.416) 3.406 3.750 ( -3.064 -4.033 -4.278) 6.630 3.776 ( -9.029 -1.341 -1.041) 9.188 3.850 ( 0.823 -1.310 5.631) 5.840 3.885 ( -2.595 -0.142 -0.214) 2.607 3.922 ( -2.539 -0.651 1.502) 3.021 3.983 ( -5.273 1.557 -0.432) 5.515 4.009 ( -1.243 -2.765 1.306) 3.301 4.052 ( -3.207 -0.679 -2.127) 3.908 4.130 ( -3.202 -0.256 1.076) 3.388 4.202 ( 0.132 0.944 -0.664) 1.161 4.234 ( 0.678 0.225 -0.578) 0.919 4.270 ( 0.946 -2.779 0.977) 3.094 4.289 ( -2.923 -0.236 -3.027) 4.215 4.353 ( -2.981 -1.973 -1.060) 3.729 4.422 ( -1.195 1.947 -0.368) 2.314 4.468 ( 2.166 2.451 2.540) 4.142 4.474 ( 5.687 3.082 0.517) 6.490 4.613 ( 5.028 0.879 -1.936) 5.459 4.656 ( 2.501 4.307 -1.140) 5.109 4.675 ( 5.696 1.165 -0.986) 5.896 4.769 ( 4.183 -1.424 -3.025) 5.355 4.821 ( 3.029 -2.357 1.398) 4.085 4.916 ( 3.550 2.765 6.636) 8.017 5.003 ( 6.185 1.851 0.491) 6.474 5.174 ( -0.230 5.289 -2.883) 6.028 5.197 ( 0.938 1.408 4.719) 5.013 5.250 ( -2.843 1.833 1.423) 3.670 5.302 ( -1.783 2.999 -2.409) 4.240 5.468 ( -2.177 -3.957 2.878) 5.355 5.501 ( -1.038 -6.702 -4.068) 7.909 5.728 ( 1.178 -0.508 1.420) 1.913 5.749 ( 1.118 -0.467 -2.618) 2.885 5.792 ( -0.754 -1.198 0.835) 1.643 5.860 ( 1.784 -3.621 -1.026) 4.165 6.256 ( -3.495 2.270 1.138) 4.320 6.318 ( -0.085 1.104 -0.879) 1.413 6.334 ( -3.489 -0.468 1.227) 3.728 6.376 ( -0.757 -0.744 -0.559) 1.199 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -3.127 2.585 0.110) 4.059 0.513 ( -2.082 1.726 0.054) 2.705 0.627 ( 0.833 0.116 0.412) 0.936 0.663 ( -1.526 -0.525 -0.854) 1.826 0.774 ( 2.334 3.987 -3.613) 5.865 0.826 ( 2.293 3.083 1.804) 4.244 0.855 ( -0.495 3.941 2.211) 4.546 0.924 ( -0.377 -0.067 0.986) 1.057 0.938 ( -1.344 0.816 -0.509) 1.653 0.958 ( -0.514 0.834 -0.883) 1.318 0.968 ( 1.746 1.637 0.267) 2.408 1.021 ( 0.734 0.543 -0.764) 1.191 1.047 ( -1.105 -0.749 -0.046) 1.336 1.071 ( 0.610 -1.949 0.585) 2.124 1.100 ( -0.983 -0.660 -1.131) 1.637 1.148 ( -1.790 -1.260 0.877) 2.358 1.175 ( -0.764 -3.883 -0.502) 3.989 1.206 ( -1.556 -0.727 -0.430) 1.771 1.266 ( 1.489 -3.467 -3.926) 5.445 1.298 ( 0.848 -2.630 2.656) 3.833 1.381 ( 3.748 -0.820 2.311) 4.478 1.402 ( 2.596 -0.807 -1.868) 3.298 1.487 ( 2.389 1.354 -1.636) 3.196 1.510 ( -1.021 2.646 1.614) 3.263 1.623 ( 5.427 0.639 -0.198) 5.468 1.657 ( 6.145 -0.879 2.423) 6.663 1.696 ( 2.920 0.201 1.409) 3.248 1.745 ( 8.277 5.794 -1.187) 10.173 1.856 ( -1.928 -3.556 0.228) 4.052 1.915 ( -0.606 0.275 -0.100) 0.673 1.979 ( -0.144 -2.305 1.535) 2.773 2.045 ( 0.472 -3.268 -0.947) 3.435 2.060 ( 1.918 0.329 1.078) 2.225 2.099 ( -1.069 1.231 -0.018) 1.630 2.118 ( -0.720 1.096 -0.851) 1.564 2.224 ( 0.141 -1.561 1.050) 1.886 2.231 ( -2.332 0.856 0.355) 2.509 2.290 ( -2.142 -3.254 -1.569) 4.199 2.330 ( -2.167 1.153 -0.067) 2.456 2.401 ( 1.143 1.898 -2.252) 3.159 2.425 ( -2.384 -2.157 1.202) 3.432 2.461 ( 0.685 -0.625 -1.295) 1.593 2.567 ( -3.176 0.618 -0.333) 3.252 2.578 ( -2.687 0.790 2.347) 3.654 2.738 ( 1.978 -1.455 3.077) 3.937 2.806 ( 1.143 -2.502 -0.855) 2.880 2.930 ( -1.308 -0.318 -0.605) 1.476 3.016 ( 0.249 -4.694 0.214) 4.705 3.043 ( -3.306 0.088 -0.168) 3.312 3.101 ( -2.079 -2.566 -1.369) 3.575 3.196 ( 1.068 -0.932 0.024) 1.417 3.316 ( -2.991 -2.659 -2.965) 4.981 3.425 ( 1.823 -1.147 -3.089) 3.765 3.473 ( 0.280 -1.963 0.685) 2.098 3.522 ( 0.831 -2.790 -2.854) 4.077 3.525 ( 0.188 -3.247 -0.495) 3.290 3.567 ( 1.953 0.072 2.903) 3.499 3.638 ( -3.260 0.498 -1.822) 3.768 3.653 ( -0.678 -1.290 3.212) 3.527 3.704 ( -2.365 -3.850 0.013) 4.518 3.830 ( -1.098 1.354 1.108) 2.066 3.865 ( -0.080 -0.193 1.328) 1.344 3.898 ( 0.537 -2.621 4.333) 5.092 3.911 ( -2.656 -0.212 0.577) 2.726 3.940 ( -3.178 -0.936 -0.095) 3.314 4.004 ( -3.605 -2.188 -1.349) 4.428 4.061 ( -3.303 -0.323 -2.314) 4.046 4.153 ( -6.314 -3.333 -2.127) 7.450 4.201 ( -0.528 -0.876 0.645) 1.209 4.242 ( -2.085 -3.177 0.592) 3.846 4.315 ( 2.280 -0.152 -2.802) 3.616 4.343 ( 1.824 -0.908 0.164) 2.044 4.402 ( -0.615 4.904 1.069) 5.056 4.487 ( -0.796 5.076 0.462) 5.159 4.587 ( 4.829 -0.205 -1.422) 5.038 4.660 ( 2.034 0.238 -0.964) 2.263 4.741 ( 4.675 2.111 0.500) 5.154 4.785 ( 5.157 6.220 -0.988) 8.140 4.845 ( 2.476 -0.322 1.506) 2.916 4.908 ( 6.869 1.404 -2.376) 7.402 4.982 ( 1.775 3.131 3.883) 5.294 5.115 ( 4.524 2.565 2.971) 5.990 5.153 ( -1.183 0.725 3.250) 3.534 5.182 ( -2.835 4.660 -3.730) 6.608 5.223 ( -3.519 0.360 0.311) 3.551 5.253 ( 0.848 0.658 0.739) 1.303 5.432 ( -1.694 -5.758 2.450) 6.483 5.458 ( -3.198 -7.602 -4.160) 9.237 5.754 ( -0.114 -0.674 -0.366) 0.775 5.780 ( 0.975 -0.409 2.240) 2.477 5.807 ( 4.314 -0.603 -1.595) 4.639 5.897 ( 2.432 -3.391 -2.221) 4.727 6.183 ( -3.585 2.558 0.274) 4.412 6.248 ( -5.133 1.311 2.181) 5.729 6.314 ( -0.158 -0.681 -1.304) 1.479 6.352 ( -1.617 -0.948 0.117) 1.878 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -0.690 1.330 -2.514) 2.926 0.474 ( 0.690 1.330 2.514) 2.926 0.642 ( -0.424 -0.370 -1.571) 1.669 0.642 ( 0.424 -0.370 1.571) 1.669 0.820 ( 1.505 4.367 -4.297) 6.309 0.820 ( -1.505 4.367 4.297) 6.309 0.891 ( -2.846 2.376 -1.426) 3.972 0.891 ( 2.846 2.376 1.426) 3.972 0.932 ( -0.945 0.109 -1.249) 1.570 0.932 ( 0.945 0.109 1.249) 1.570 1.010 ( -2.146 -0.120 0.143) 2.154 1.010 ( 2.146 -0.120 -0.143) 2.154 1.061 ( -2.637 1.134 0.108) 2.873 1.061 ( 2.637 1.134 -0.108) 2.873 1.104 ( -1.905 -2.445 -1.555) 3.468 1.104 ( 1.905 -2.445 1.555) 3.468 1.182 ( 0.842 -3.039 -0.566) 3.204 1.182 ( -0.842 -3.039 0.566) 3.204 1.292 ( 1.034 -3.138 -4.090) 5.258 1.292 ( -1.034 -3.138 4.090) 5.258 1.423 ( -0.341 0.068 -1.933) 1.964 1.423 ( 0.341 0.068 1.933) 1.964 1.507 ( -0.044 0.498 -3.247) 3.286 1.507 ( 0.044 0.498 3.247) 3.286 1.691 ( 1.336 -0.433 -1.954) 2.407 1.691 ( -1.336 -0.433 1.954) 2.407 1.793 ( -4.974 -0.822 -0.032) 5.041 1.793 ( 4.974 -0.822 0.032) 5.041 1.876 ( -2.284 1.500 -1.718) 3.228 1.876 ( 2.284 1.500 1.718) 3.228 2.007 ( -2.549 -2.614 -2.064) 4.194 2.007 ( 2.549 -2.614 2.064) 4.194 2.084 ( -0.369 1.682 -1.936) 2.592 2.084 ( 0.369 1.682 1.936) 2.592 2.153 ( -4.623 1.508 -1.711) 5.155 2.153 ( 4.623 1.508 1.711) 5.155 2.246 ( -1.857 -1.255 -2.463) 3.330 2.246 ( 1.857 -1.255 2.463) 3.330 2.360 ( -1.508 -2.763 -1.083) 3.329 2.360 ( 1.508 -2.764 1.083) 3.329 2.444 ( -0.192 2.387 -3.294) 4.072 2.444 ( 0.192 2.387 3.294) 4.072 2.540 ( 0.911 -0.268 -1.299) 1.609 2.540 ( -0.911 -0.268 1.299) 1.609 2.788 ( -2.547 -3.434 -4.375) 6.117 2.788 ( 2.547 -3.434 4.375) 6.117 2.947 ( -2.884 2.227 -2.630) 4.493 2.947 ( 2.884 2.227 2.630) 4.493 3.062 ( -0.994 -4.296 -4.202) 6.091 3.062 ( 0.994 -4.296 4.202) 6.091 3.244 ( -3.661 -2.786 -2.017) 5.023 3.244 ( 3.661 -2.786 2.017) 5.023 3.456 ( 0.641 -1.128 -3.919) 4.128 3.456 ( -0.641 -1.128 3.919) 4.128 3.531 ( 0.063 -3.626 -3.974) 5.380 3.531 ( -0.063 -3.626 3.974) 5.380 3.602 ( -0.890 0.148 -5.124) 5.203 3.602 ( 0.890 0.148 5.124) 5.203 3.663 ( 1.068 -2.178 -0.886) 2.582 3.663 ( -1.068 -2.178 0.886) 2.582 3.844 ( -2.007 2.030 -1.859) 3.407 3.844 ( 2.007 2.030 1.859) 3.407 3.894 ( -0.122 -1.390 -2.906) 3.223 3.894 ( 0.122 -1.390 2.906) 3.223 3.943 ( -2.096 -2.641 -1.781) 3.813 3.943 ( 2.096 -2.641 1.781) 3.813 4.049 ( 2.448 -3.150 -1.856) 4.400 4.049 ( -2.448 -3.150 1.856) 4.400 4.206 ( -0.835 -1.947 -1.512) 2.603 4.206 ( 0.835 -1.947 1.512) 2.603 4.349 ( -0.637 -0.394 -1.538) 1.710 4.349 ( 0.637 -0.394 1.538) 1.710 4.438 ( -3.325 5.176 -2.265) 6.556 4.438 ( 3.325 5.176 2.265) 6.556 4.658 ( 2.388 -0.808 -2.131) 3.301 4.658 ( -2.388 -0.808 2.131) 3.301 4.813 ( -0.116 2.507 -0.376) 2.538 4.813 ( 0.116 2.507 0.376) 2.538 4.925 ( -2.036 7.120 -0.694) 7.438 4.925 ( 2.036 7.120 0.694) 7.438 5.067 ( -7.615 2.308 1.278) 8.060 5.067 ( 7.615 2.308 -1.278) 8.060 5.144 ( -1.197 0.095 -2.936) 3.172 5.144 ( 1.197 0.095 2.936) 3.172 5.244 ( -2.220 0.194 -2.763) 3.549 5.244 ( 2.220 0.194 2.763) 3.549 5.414 ( 0.214 -7.333 -4.162) 8.435 5.414 ( -0.214 -7.333 4.162) 8.435 5.764 ( -1.123 -1.256 -0.528) 1.766 5.764 ( 1.123 -1.256 0.528) 1.766 5.904 ( -2.824 -1.251 -1.215) 3.319 5.904 ( 2.824 -1.251 1.215) 3.319 6.165 ( 2.113 2.419 -1.830) 3.697 6.165 ( -2.113 2.419 1.830) 3.697 6.323 ( 0.184 -1.208 -1.795) 2.171 6.323 ( -0.184 -1.208 1.795) 2.171 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -0.000 0.000 -0.000) 0.000 0.593 ( 0.000 0.000 0.000) 0.000 0.683 ( 0.000 0.000 0.000) 0.000 0.683 ( 0.000 0.000 0.000) 0.000 0.786 ( -0.000 0.000 0.000) 0.000 0.786 ( 0.000 0.000 0.000) 0.000 0.929 ( -0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 1.008 ( -0.000 0.000 0.000) 0.000 1.008 ( -0.000 0.000 0.000) 0.000 1.022 ( 0.000 -0.000 0.000) 0.000 1.022 ( 0.000 0.000 0.000) 0.000 1.040 ( 0.000 0.000 0.000) 0.000 1.040 ( -0.000 0.000 0.000) 0.000 1.096 ( 0.000 -0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.133 ( -0.000 0.000 -0.000) 0.000 1.133 ( -0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.198 ( -0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.403 ( -0.000 0.000 0.000) 0.000 1.403 ( -0.000 0.000 0.000) 0.000 1.593 ( -0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.721 ( -0.000 -0.000 -0.000) 0.000 1.721 ( -0.000 0.000 -0.000) 0.000 1.809 ( -0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 -0.000) 0.000 2.008 ( -0.000 0.000 0.000) 0.000 2.029 ( -0.000 -0.000 -0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.158 ( -0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 -0.000) 0.000 2.304 ( -0.000 0.000 0.000) 0.000 2.396 ( -0.000 0.000 0.000) 0.000 2.396 ( -0.000 0.000 0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.740 ( -0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.125 ( -0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 -0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.544 ( -0.000 0.000 -0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.548 ( -0.000 -0.000 -0.000) 0.000 3.548 ( -0.000 0.000 0.000) 0.000 3.747 ( -0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.929 ( -0.000 -0.000 -0.000) 0.000 3.929 ( -0.000 0.000 -0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.089 ( -0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 -0.000) 0.000 4.212 ( -0.000 0.000 0.000) 0.000 4.227 ( 0.000 -0.000 -0.000) 0.000 4.227 ( -0.000 0.000 0.000) 0.000 4.380 ( -0.000 0.000 -0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.395 ( -0.000 -0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.533 ( -0.000 -0.000 0.000) 0.000 4.533 ( -0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.749 ( -0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 -0.000) 0.000 5.333 ( -0.000 0.000 0.000) 0.000 5.434 ( -0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 -0.000) 0.000 5.717 ( -0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 -0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 6.324 ( -0.000 0.000 0.000) 0.000 6.324 ( -0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.365 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 119 (54/56) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -1.853 -1.261 -1.546) 2.723 0.577 ( -1.853 1.261 -1.546) 2.723 0.663 ( -1.498 -2.160 1.378) 2.968 0.663 ( -1.498 2.160 1.378) 2.968 0.810 ( 2.052 -1.569 -0.548) 2.641 0.810 ( 2.052 1.569 -0.548) 2.641 0.917 ( -0.628 -1.473 -0.535) 1.689 0.917 ( -0.628 1.473 -0.535) 1.689 0.983 ( -0.987 -1.266 2.387) 2.877 0.983 ( -0.987 1.266 2.387) 2.877 1.010 ( -1.306 -0.941 -1.277) 2.054 1.010 ( -1.306 0.941 -1.277) 2.054 1.066 ( 0.449 -2.042 -1.732) 2.715 1.066 ( 0.449 2.042 -1.732) 2.715 1.086 ( 0.061 -2.279 -0.872) 2.441 1.086 ( 0.061 2.279 -0.872) 2.441 1.166 ( 1.496 -1.933 0.854) 2.590 1.166 ( 1.496 1.933 0.854) 2.590 1.234 ( 3.044 -0.539 2.109) 3.743 1.234 ( 3.044 0.539 2.109) 3.743 1.316 ( -0.662 -3.214 -0.966) 3.421 1.316 ( -0.662 3.214 -0.966) 3.421 1.486 ( 4.338 -3.675 -3.021) 6.439 1.486 ( 4.338 3.675 -3.021) 6.439 1.582 ( -0.029 -2.614 3.844) 4.649 1.582 ( -0.029 2.614 3.844) 4.649 1.730 ( 1.097 -5.656 -0.329) 5.770 1.730 ( 1.097 5.656 -0.329) 5.770 1.835 ( 2.299 -6.679 1.308) 7.184 1.835 ( 2.299 6.679 1.308) 7.184 1.989 ( -1.426 -2.299 -0.700) 2.794 1.989 ( -1.426 2.299 -0.700) 2.794 2.043 ( 1.499 -2.818 -0.543) 3.237 2.043 ( 1.499 2.818 -0.543) 3.237 2.168 ( 0.536 -2.409 0.332) 2.490 2.168 ( 0.536 2.409 0.332) 2.490 2.281 ( -2.143 -1.146 0.828) 2.567 2.281 ( -2.143 1.146 0.828) 2.567 2.411 ( 1.292 -1.515 0.233) 2.005 2.411 ( 1.292 1.515 0.233) 2.005 2.445 ( -2.809 -1.391 -1.081) 3.316 2.445 ( -2.809 1.391 -1.081) 3.316 2.628 ( -2.199 -0.128 0.775) 2.335 2.628 ( -2.199 0.128 0.775) 2.335 2.744 ( 0.361 -1.770 -0.340) 1.838 2.744 ( 0.361 1.770 -0.340) 1.838 2.907 ( 1.074 -1.321 0.778) 1.872 2.907 ( 1.074 1.321 0.778) 1.872 3.103 ( -1.919 -1.134 1.174) 2.520 3.103 ( -1.919 1.134 1.174) 2.520 3.264 ( 0.952 -3.119 -4.437) 5.507 3.264 ( 0.952 3.119 -4.437) 5.507 3.437 ( -0.237 -2.512 -0.671) 2.611 3.437 ( -0.237 2.512 -0.671) 2.611 3.485 ( -2.478 -1.199 -0.825) 2.874 3.485 ( -2.478 1.199 -0.825) 2.874 3.590 ( 1.684 -3.752 2.297) 4.710 3.590 ( 1.684 3.752 2.297) 4.710 3.714 ( -3.597 -2.055 -0.950) 4.250 3.714 ( -3.597 2.055 -0.950) 4.250 3.880 ( -1.636 -1.018 -0.048) 1.927 3.880 ( -1.636 1.018 -0.048) 1.927 3.929 ( -2.375 -2.797 2.763) 4.593 3.929 ( -2.375 2.797 2.763) 4.593 4.026 ( -4.280 -1.495 0.699) 4.587 4.026 ( -4.280 1.495 0.699) 4.587 4.178 ( -3.268 -4.513 0.930) 5.649 4.178 ( -3.268 4.513 0.930) 5.649 4.227 ( -1.278 -1.016 -3.228) 3.618 4.227 ( -1.278 1.016 -3.228) 3.618 4.308 ( -1.405 -1.822 -1.264) 2.626 4.308 ( -1.405 1.822 -1.264) 2.626 4.473 ( 3.063 -1.585 0.035) 3.449 4.473 ( 3.063 1.585 0.035) 3.449 4.565 ( 3.056 -4.013 0.505) 5.070 4.565 ( 3.056 4.013 0.505) 5.070 4.709 ( 7.613 -1.680 0.471) 7.810 4.709 ( 7.613 1.680 0.471) 7.810 4.761 ( 2.515 -3.069 -2.735) 4.820 4.761 ( 2.515 3.069 -2.735) 4.820 4.991 ( 4.179 -2.814 4.119) 6.507 4.991 ( 4.179 2.814 4.119) 6.507 5.238 ( 0.311 -1.579 2.281) 2.792 5.238 ( 0.311 1.579 2.281) 2.792 5.319 ( -1.073 -5.314 -1.876) 5.737 5.319 ( -1.073 5.314 -1.876) 5.737 5.396 ( -3.772 -1.665 -0.162) 4.126 5.396 ( -3.772 1.665 -0.162) 4.126 5.734 ( 1.956 -0.930 -0.759) 2.295 5.734 ( 1.956 0.930 -0.759) 2.295 5.801 ( -0.035 -1.773 -0.381) 1.814 5.801 ( -0.035 1.773 -0.381) 1.814 6.297 ( -2.650 -1.659 0.547) 3.174 6.297 ( -2.650 1.659 0.547) 3.174 6.354 ( -1.224 -1.139 -0.261) 1.692 6.354 ( -1.224 1.139 -0.261) 1.692 ======================= Grid point 121 (55/56) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -2.858 -0.572 -1.436) 3.249 0.526 ( -2.858 0.572 -1.436) 3.249 0.645 ( -0.515 -1.159 1.605) 2.046 0.645 ( -0.515 1.159 1.605) 2.046 0.852 ( 2.413 -1.941 -1.543) 3.460 0.852 ( 2.413 1.941 -1.543) 3.460 0.923 ( 1.052 -0.805 0.404) 1.385 0.923 ( 1.052 0.805 0.404) 1.385 0.960 ( -1.485 -2.027 2.228) 3.358 0.960 ( -1.485 2.027 2.228) 3.358 0.985 ( -1.308 -2.815 -1.319) 3.372 0.985 ( -1.308 2.815 -1.319) 3.372 1.059 ( -0.458 -1.959 -0.945) 2.223 1.059 ( -0.458 1.959 -0.945) 2.223 1.099 ( 0.822 -3.015 -0.196) 3.131 1.099 ( 0.822 3.015 -0.196) 3.131 1.166 ( -1.112 -2.239 -0.110) 2.502 1.166 ( -1.112 2.239 -0.110) 2.502 1.247 ( -0.255 -1.761 0.259) 1.798 1.247 ( -0.255 1.761 0.259) 1.798 1.381 ( 4.281 -0.885 0.312) 4.383 1.381 ( 4.281 0.885 0.312) 4.383 1.511 ( -0.500 -1.219 -2.223) 2.584 1.511 ( -0.500 1.219 -2.223) 2.584 1.638 ( 4.402 -1.595 3.412) 5.793 1.638 ( 4.402 1.595 3.412) 5.793 1.764 ( 2.170 -4.470 -0.470) 4.991 1.764 ( 2.170 4.470 -0.470) 4.991 1.875 ( 1.685 -4.681 2.033) 5.375 1.875 ( 1.685 4.681 2.033) 5.375 1.973 ( -0.286 -2.589 -1.796) 3.163 1.973 ( -0.286 2.589 -1.796) 3.163 2.086 ( 2.494 -2.092 0.039) 3.255 2.086 ( 2.494 2.092 0.039) 3.255 2.169 ( 0.232 -3.200 0.130) 3.211 2.169 ( 0.232 3.200 0.130) 3.211 2.240 ( -1.775 -1.277 0.504) 2.244 2.240 ( -1.775 1.277 0.504) 2.244 2.372 ( -4.294 -2.525 -0.168) 4.984 2.372 ( -4.294 2.525 -0.168) 4.984 2.445 ( 1.898 -1.465 -0.625) 2.478 2.445 ( 1.898 1.465 -0.625) 2.478 2.578 ( -3.003 -0.478 0.844) 3.155 2.578 ( -3.003 0.478 0.844) 3.155 2.748 ( -0.042 -2.222 -0.094) 2.225 2.748 ( -0.042 2.222 -0.094) 2.225 2.936 ( 2.074 -1.935 1.012) 3.011 2.936 ( 2.074 1.935 1.012) 3.011 3.060 ( -2.613 -1.336 0.150) 2.939 3.060 ( -2.613 1.336 0.150) 2.939 3.243 ( -2.752 -3.954 -3.441) 5.921 3.243 ( -2.752 3.954 -3.441) 5.921 3.438 ( 0.620 -2.195 -3.299) 4.011 3.438 ( 0.620 2.195 -3.299) 4.011 3.476 ( 0.763 -0.495 1.378) 1.651 3.476 ( 0.763 0.495 1.378) 1.651 3.608 ( 0.219 -2.780 0.845) 2.913 3.608 ( 0.219 2.780 0.845) 2.913 3.653 ( -2.033 -0.829 0.728) 2.313 3.653 ( -2.033 0.829 0.728) 2.313 3.853 ( -0.489 -1.179 0.098) 1.280 3.853 ( -0.489 1.179 0.098) 1.280 3.888 ( -1.134 -1.839 3.630) 4.225 3.888 ( -1.134 1.839 3.630) 4.225 3.953 ( -3.658 -1.877 0.328) 4.125 3.953 ( -3.658 1.877 0.328) 4.125 4.086 ( -5.585 -2.791 -2.101) 6.588 4.086 ( -5.585 2.791 -2.101) 6.588 4.193 ( -1.628 -0.666 -1.322) 2.201 4.193 ( -1.628 0.666 -1.322) 2.201 4.326 ( 1.804 -0.703 -0.036) 1.937 4.326 ( 1.804 0.703 -0.036) 1.937 4.522 ( 2.144 -5.173 -2.199) 6.016 4.522 ( 2.144 5.173 -2.199) 6.016 4.601 ( 0.640 -4.627 1.816) 5.012 4.601 ( 0.640 4.627 1.816) 5.012 4.794 ( 3.471 -2.457 0.157) 4.256 4.794 ( 3.471 2.457 0.157) 4.256 4.904 ( 9.518 -2.904 -2.410) 10.239 4.904 ( 9.518 2.904 -2.410) 10.239 5.065 ( 2.978 -4.067 4.474) 6.740 5.065 ( 2.978 4.067 4.474) 6.740 5.211 ( -3.644 -1.669 1.332) 4.224 5.211 ( -3.644 1.669 1.332) 4.224 5.295 ( -1.948 -3.311 -0.563) 3.882 5.295 ( -1.948 3.311 -0.563) 3.882 5.321 ( -2.756 -1.690 -0.882) 3.351 5.321 ( -2.756 1.690 -0.882) 3.351 5.760 ( -0.537 -1.226 0.897) 1.611 5.760 ( -0.537 1.226 0.897) 1.611 5.832 ( 4.235 -2.490 -2.251) 5.404 5.832 ( 4.235 2.490 -2.251) 5.404 6.237 ( -3.188 -2.169 0.791) 3.936 6.237 ( -3.188 2.169 0.791) 3.936 6.322 ( -1.875 -1.469 -0.305) 2.401 6.322 ( -1.875 1.469 -0.305) 2.401 ======================= Grid point 123 (56/56) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 0.000 -0.000) 0.000 0.496 ( -0.000 0.000 0.000) 0.000 0.640 ( -0.000 0.000 0.000) 0.000 0.640 ( -0.000 0.000 0.000) 0.000 0.887 ( -0.000 0.000 0.000) 0.000 0.887 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 -0.000 0.000) 0.000 0.926 ( -0.000 0.000 0.000) 0.000 0.954 ( -0.000 -0.000 -0.000) 0.000 0.954 ( -0.000 0.000 -0.000) 0.000 0.963 ( -0.000 -0.000 0.000) 0.000 0.963 ( 0.000 0.000 0.000) 0.000 1.055 ( -0.000 0.000 0.000) 0.000 1.055 ( -0.000 0.000 0.000) 0.000 1.110 ( -0.000 0.000 0.000) 0.000 1.110 ( -0.000 0.000 0.000) 0.000 1.150 ( -0.000 -0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.423 ( -0.000 -0.000 0.000) 0.000 1.423 ( -0.000 0.000 0.000) 0.000 1.504 ( -0.000 0.000 -0.000) 0.000 1.504 ( -0.000 0.000 0.000) 0.000 1.688 ( -0.000 0.000 -0.000) 0.000 1.688 ( -0.000 0.000 0.000) 0.000 1.786 ( -0.000 0.000 -0.000) 0.000 1.786 ( -0.000 0.000 0.000) 0.000 1.899 ( -0.000 0.000 0.000) 0.000 1.899 ( -0.000 0.000 0.000) 0.000 1.968 ( -0.000 0.000 -0.000) 0.000 1.968 ( -0.000 0.000 0.000) 0.000 2.102 ( -0.000 0.000 0.000) 0.000 2.102 ( -0.000 0.000 0.000) 0.000 2.190 ( -0.000 0.000 0.000) 0.000 2.190 ( -0.000 0.000 0.000) 0.000 2.232 ( -0.000 0.000 -0.000) 0.000 2.232 ( -0.000 0.000 0.000) 0.000 2.308 ( -0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.473 ( -0.000 0.000 0.000) 0.000 2.473 ( -0.000 0.000 0.000) 0.000 2.536 ( -0.000 0.000 -0.000) 0.000 2.536 ( -0.000 0.000 0.000) 0.000 2.747 ( -0.000 0.000 0.000) 0.000 2.747 ( -0.000 0.000 0.000) 0.000 2.971 ( -0.000 0.000 0.000) 0.000 2.971 ( -0.000 0.000 0.000) 0.000 3.020 ( -0.000 0.000 -0.000) 0.000 3.020 ( -0.000 0.000 0.000) 0.000 3.208 ( -0.000 0.000 0.000) 0.000 3.208 ( -0.000 0.000 0.000) 0.000 3.447 ( -0.000 0.000 0.000) 0.000 3.447 ( -0.000 0.000 0.000) 0.000 3.486 ( -0.000 0.000 -0.000) 0.000 3.486 ( -0.000 0.000 -0.000) 0.000 3.617 ( -0.000 -0.000 -0.000) 0.000 3.617 ( -0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 -0.000) 0.000 3.626 ( -0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 -0.000) 0.000 3.871 ( -0.000 0.000 0.000) 0.000 3.874 ( 0.000 -0.000 -0.000) 0.000 3.874 ( -0.000 -0.000 0.000) 0.000 3.911 ( -0.000 0.000 -0.000) 0.000 3.911 ( -0.000 0.000 0.000) 0.000 4.015 ( -0.000 0.000 -0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.176 ( -0.000 0.000 -0.000) 0.000 4.176 ( -0.000 0.000 0.000) 0.000 4.346 ( -0.000 0.000 -0.000) 0.000 4.346 ( -0.000 0.000 0.000) 0.000 4.544 ( -0.000 0.000 -0.000) 0.000 4.544 ( -0.000 0.000 0.000) 0.000 4.605 ( -0.000 0.000 -0.000) 0.000 4.605 ( -0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.834 ( -0.000 0.000 -0.000) 0.000 5.046 ( -0.000 0.000 0.000) 0.000 5.046 ( -0.000 0.000 0.000) 0.000 5.107 ( 0.000 -0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.108 ( -0.000 -0.000 -0.000) 0.000 5.108 ( -0.000 0.000 -0.000) 0.000 5.281 ( -0.000 -0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.291 ( -0.000 -0.000 -0.000) 0.000 5.291 ( -0.000 0.000 0.000) 0.000 5.748 ( -0.000 0.000 0.000) 0.000 5.748 ( -0.000 0.000 0.000) 0.000 5.890 ( -0.000 0.000 0.000) 0.000 5.890 ( -0.000 0.000 0.000) 0.000 6.200 ( 0.000 -0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.300 ( -0.000 0.000 0.000) 0.000 6.300 ( -0.000 0.000 0.000) 0.000 =================== 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 3/13824 10.0 9.467 8.107 6.072 0.000 -0.365 0.000 3/13824 20.0 2.673 2.360 1.898 0.000 -0.060 0.000 3/13824 30.0 1.472 1.316 1.104 0.000 -0.023 0.000 3/13824 40.0 1.004 0.908 0.774 0.000 -0.011 0.000 3/13824 50.0 0.762 0.694 0.597 0.000 -0.007 0.000 3/13824 60.0 0.616 0.564 0.487 0.000 -0.004 0.000 3/13824 70.0 0.518 0.477 0.412 0.000 -0.003 0.000 3/13824 80.0 0.448 0.414 0.358 0.000 -0.002 0.000 3/13824 90.0 0.395 0.366 0.316 0.000 -0.002 0.000 3/13824 100.0 0.354 0.329 0.284 0.000 -0.002 0.000 3/13824 110.0 0.320 0.299 0.258 0.000 -0.001 0.000 3/13824 120.0 0.293 0.273 0.236 0.000 -0.001 0.000 3/13824 130.0 0.270 0.252 0.218 0.000 -0.001 0.000 3/13824 140.0 0.250 0.234 0.202 0.000 -0.001 0.000 3/13824 150.0 0.233 0.219 0.189 0.000 -0.001 0.000 3/13824 160.0 0.219 0.205 0.177 0.000 -0.001 0.000 3/13824 170.0 0.206 0.193 0.166 0.000 -0.001 0.000 3/13824 180.0 0.194 0.182 0.157 0.000 -0.001 0.000 3/13824 190.0 0.184 0.173 0.149 0.000 -0.001 0.000 3/13824 200.0 0.175 0.164 0.141 0.000 -0.001 0.000 3/13824 210.0 0.166 0.156 0.135 0.000 -0.001 0.000 3/13824 220.0 0.159 0.149 0.129 0.000 -0.000 0.000 3/13824 230.0 0.152 0.143 0.123 0.000 -0.000 0.000 3/13824 240.0 0.145 0.137 0.118 0.000 -0.000 0.000 3/13824 250.0 0.140 0.131 0.113 0.000 -0.000 0.000 3/13824 260.0 0.134 0.126 0.109 0.000 -0.000 0.000 3/13824 270.0 0.129 0.122 0.105 0.000 -0.000 0.000 3/13824 280.0 0.125 0.117 0.101 0.000 -0.000 0.000 3/13824 290.0 0.120 0.113 0.098 0.000 -0.000 0.000 3/13824 300.0 0.116 0.110 0.094 0.000 -0.000 0.000 3/13824 310.0 0.113 0.106 0.091 0.000 -0.000 0.000 3/13824 320.0 0.109 0.103 0.089 0.000 -0.000 0.000 3/13824 330.0 0.106 0.100 0.086 0.000 -0.000 0.000 3/13824 340.0 0.103 0.097 0.083 0.000 -0.000 0.000 3/13824 350.0 0.100 0.094 0.081 0.000 -0.000 0.000 3/13824 360.0 0.097 0.091 0.079 0.000 -0.000 0.000 3/13824 370.0 0.094 0.089 0.077 0.000 -0.000 0.000 3/13824 380.0 0.092 0.087 0.075 0.000 -0.000 0.000 3/13824 390.0 0.089 0.084 0.073 0.000 -0.000 0.000 3/13824 400.0 0.087 0.082 0.071 0.000 -0.000 0.000 3/13824 410.0 0.085 0.080 0.069 0.000 -0.000 0.000 3/13824 420.0 0.083 0.078 0.067 0.000 -0.000 0.000 3/13824 430.0 0.081 0.076 0.066 0.000 -0.000 0.000 3/13824 440.0 0.079 0.075 0.064 0.000 -0.000 0.000 3/13824 450.0 0.078 0.073 0.063 0.000 -0.000 0.000 3/13824 460.0 0.076 0.072 0.062 0.000 -0.000 0.000 3/13824 470.0 0.074 0.070 0.060 0.000 -0.000 0.000 3/13824 480.0 0.073 0.069 0.059 0.000 -0.000 0.000 3/13824 490.0 0.071 0.067 0.058 0.000 -0.000 0.000 3/13824 500.0 0.070 0.066 0.057 0.000 -0.000 0.000 3/13824 510.0 0.068 0.065 0.056 0.000 -0.000 0.000 3/13824 520.0 0.067 0.063 0.055 0.000 -0.000 0.000 3/13824 530.0 0.066 0.062 0.053 0.000 -0.000 0.000 3/13824 540.0 0.065 0.061 0.053 0.000 -0.000 0.000 3/13824 550.0 0.063 0.060 0.052 0.000 -0.000 0.000 3/13824 560.0 0.062 0.059 0.051 0.000 -0.000 0.000 3/13824 570.0 0.061 0.058 0.050 0.000 -0.000 0.000 3/13824 580.0 0.060 0.057 0.049 0.000 -0.000 0.000 3/13824 590.0 0.059 0.056 0.048 0.000 -0.000 0.000 3/13824 600.0 0.058 0.055 0.047 0.000 -0.000 0.000 3/13824 610.0 0.057 0.054 0.046 0.000 -0.000 0.000 3/13824 620.0 0.056 0.053 0.046 0.000 -0.000 0.000 3/13824 630.0 0.055 0.052 0.045 0.000 -0.000 0.000 3/13824 640.0 0.055 0.051 0.044 0.000 -0.000 0.000 3/13824 650.0 0.054 0.051 0.044 0.000 -0.000 0.000 3/13824 660.0 0.053 0.050 0.043 0.000 -0.000 0.000 3/13824 670.0 0.052 0.049 0.042 0.000 -0.000 0.000 3/13824 680.0 0.051 0.048 0.042 0.000 -0.000 0.000 3/13824 690.0 0.051 0.048 0.041 0.000 -0.000 0.000 3/13824 700.0 0.050 0.047 0.041 0.000 -0.000 0.000 3/13824 710.0 0.049 0.046 0.040 0.000 -0.000 0.000 3/13824 720.0 0.048 0.046 0.039 0.000 -0.000 0.000 3/13824 730.0 0.048 0.045 0.039 0.000 -0.000 0.000 3/13824 740.0 0.047 0.044 0.038 0.000 -0.000 0.000 3/13824 750.0 0.047 0.044 0.038 0.000 -0.000 0.000 3/13824 760.0 0.046 0.043 0.037 0.000 -0.000 0.000 3/13824 770.0 0.045 0.043 0.037 0.000 -0.000 0.000 3/13824 780.0 0.045 0.042 0.036 0.000 -0.000 0.000 3/13824 790.0 0.044 0.042 0.036 0.000 -0.000 0.000 3/13824 800.0 0.044 0.041 0.035 0.000 -0.000 0.000 3/13824 810.0 0.043 0.041 0.035 0.000 -0.000 0.000 3/13824 820.0 0.043 0.040 0.035 0.000 -0.000 0.000 3/13824 830.0 0.042 0.040 0.034 0.000 -0.000 0.000 3/13824 840.0 0.042 0.039 0.034 0.000 -0.000 0.000 3/13824 850.0 0.041 0.039 0.033 0.000 -0.000 0.000 3/13824 860.0 0.041 0.038 0.033 0.000 -0.000 0.000 3/13824 870.0 0.040 0.038 0.033 0.000 -0.000 0.000 3/13824 880.0 0.040 0.037 0.032 0.000 -0.000 0.000 3/13824 890.0 0.039 0.037 0.032 0.000 -0.000 0.000 3/13824 900.0 0.039 0.037 0.032 0.000 -0.000 0.000 3/13824 910.0 0.038 0.036 0.031 0.000 -0.000 0.000 3/13824 920.0 0.038 0.036 0.031 0.000 -0.000 0.000 3/13824 930.0 0.038 0.035 0.031 0.000 -0.000 0.000 3/13824 940.0 0.037 0.035 0.030 0.000 -0.000 0.000 3/13824 950.0 0.037 0.035 0.030 0.000 -0.000 0.000 3/13824 960.0 0.036 0.034 0.030 0.000 -0.000 0.000 3/13824 970.0 0.036 0.034 0.029 0.000 -0.000 0.000 3/13824 980.0 0.036 0.034 0.029 0.000 -0.000 0.000 3/13824 990.0 0.035 0.033 0.029 0.000 -0.000 0.000 3/13824 1000.0 0.035 0.033 0.028 0.000 -0.000 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m664.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:21:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|