----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:07:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.204239586850731 0.000000000000000 8.648911681591677 Atomic positions (fractional): *1 P 0.43187642610131 0.00773598764897 0.57307260288353 30.974 2 P 0.56812357389869 0.99226401235103 0.42692739711647 30.974 3 P 0.43187642610131 0.49226401235103 0.07307260288353 30.974 *4 P 0.06901038003446 0.46997210574248 0.56347641244552 30.974 5 P 0.93098961996554 0.96997210574248 0.93652358755448 30.974 6 P 0.93098961996554 0.53002789425752 0.43652358755448 30.974 7 P 0.06901038003446 0.03002789425752 0.06347641244552 30.974 8 P 0.56812357389869 0.50773598764897 0.92692739711647 30.974 *9 K 0.08108524826423 0.73087924531817 0.78340290308009 39.098 *10 K 0.18593653861857 0.43456495889657 0.17311545419219 39.098 11 K 0.18593653861857 0.06543504110343 0.67311545419219 39.098 *12 K 0.56336373672192 0.21037204110980 0.83293753449483 39.098 13 K 0.81406346138143 0.93456495889657 0.32688454580781 39.098 14 K 0.91891475173577 0.23087924531817 0.71659709691991 39.098 15 K 0.91891475173577 0.26912075468183 0.21659709691991 39.098 16 K 0.08108524826423 0.76912075468183 0.28340290308009 39.098 17 K 0.43663626327808 0.71037204110980 0.66706246550517 39.098 18 K 0.43663626327808 0.78962795889020 0.16706246550517 39.098 19 K 0.56336373672192 0.28962795889020 0.33293753449483 39.098 *20 K 0.29411575311266 0.10551222317041 0.21300274323086 39.098 21 K 0.70588424688734 0.60551222317041 0.28699725676914 39.098 22 K 0.70588424688734 0.89448777682959 0.78699725676914 39.098 23 K 0.81406346138143 0.56543504110343 0.82688454580781 39.098 24 K 0.29411575311266 0.39448777682959 0.71300274323086 39.098 *25 Se 0.39079785309804 0.32190053639446 0.04760691950431 78.960 26 Se 0.60920214690196 0.82190053639446 0.45239308049569 78.960 27 Se 0.60920214690196 0.67809946360554 0.95239308049569 78.960 28 Se 0.39079785309804 0.17809946360554 0.54760691950431 78.960 *29 Se 0.46854816629971 0.53473533868029 0.31267585976152 78.960 30 Se 0.53145183370029 0.03473533868029 0.18732414023848 78.960 31 Se 0.53145183370029 0.46526466131971 0.68732414023848 78.960 32 Se 0.46854816629971 0.96526466131971 0.81267585976152 78.960 *33 Se 0.32214830724495 0.59923647176263 0.96611394145178 78.960 34 Se 0.67785169275505 0.09923647176263 0.53388605854822 78.960 35 Se 0.67785169275505 0.40076352823737 0.03388605854822 78.960 36 Se 0.32214830724495 0.90076352823737 0.46611394145178 78.960 *37 Se 0.18475491821025 0.91661470421979 0.00384251162386 78.960 38 Se 0.81524508178974 0.41661470421979 0.49615748837614 78.960 39 Se 0.81524508178974 0.08338529578021 0.99615748837614 78.960 40 Se 0.18475491821025 0.58338529578021 0.50384251162386 78.960 *41 Se 0.03919092700164 0.03433043506917 0.31238653599807 78.960 42 Se 0.96080907299836 0.53433043506917 0.18761346400193 78.960 43 Se 0.96080907299836 0.96566956493083 0.68761346400193 78.960 44 Se 0.03919092700164 0.46566956493083 0.81238653599807 78.960 *45 Se 0.09661873914153 0.19330497126777 0.97512757544665 78.960 46 Se 0.90338126085847 0.69330497126777 0.52487242455335 78.960 47 Se 0.90338126085847 0.80669502873223 0.02487242455335 78.960 48 Se 0.09661873914153 0.30669502873223 0.47512757544665 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.204239586850731 0.000000000000000 8.648911681591677 Atomic positions (fractional): *1 P 0.43187642610131 0.00773598764897 0.57307260288353 30.974 > 1 2 P 0.56812357389869 0.99226401235103 0.42692739711647 30.974 > 2 3 P 0.43187642610131 0.49226401235103 0.07307260288353 30.974 > 3 *4 P 0.06901038003446 0.46997210574248 0.56347641244552 30.974 > 4 5 P 0.93098961996554 0.96997210574248 0.93652358755448 30.974 > 5 6 P 0.93098961996554 0.53002789425752 0.43652358755448 30.974 > 6 7 P 0.06901038003446 0.03002789425752 0.06347641244552 30.974 > 7 8 P 0.56812357389869 0.50773598764897 0.92692739711647 30.974 > 8 *9 K 0.08108524826423 0.73087924531817 0.78340290308009 39.098 > 9 *10 K 0.18593653861857 0.43456495889657 0.17311545419219 39.098 > 10 11 K 0.18593653861857 0.06543504110343 0.67311545419219 39.098 > 11 *12 K 0.56336373672192 0.21037204110980 0.83293753449483 39.098 > 12 13 K 0.81406346138143 0.93456495889657 0.32688454580781 39.098 > 13 14 K 0.91891475173577 0.23087924531817 0.71659709691991 39.098 > 14 15 K 0.91891475173577 0.26912075468183 0.21659709691991 39.098 > 15 16 K 0.08108524826423 0.76912075468183 0.28340290308009 39.098 > 16 17 K 0.43663626327808 0.71037204110980 0.66706246550517 39.098 > 17 18 K 0.43663626327808 0.78962795889020 0.16706246550517 39.098 > 18 19 K 0.56336373672192 0.28962795889020 0.33293753449483 39.098 > 19 *20 K 0.29411575311266 0.10551222317041 0.21300274323086 39.098 > 20 21 K 0.70588424688734 0.60551222317041 0.28699725676914 39.098 > 21 22 K 0.70588424688734 0.89448777682959 0.78699725676914 39.098 > 22 23 K 0.81406346138143 0.56543504110343 0.82688454580781 39.098 > 23 24 K 0.29411575311266 0.39448777682959 0.71300274323086 39.098 > 24 *25 Se 0.39079785309804 0.32190053639446 0.04760691950431 78.960 > 25 26 Se 0.60920214690196 0.82190053639446 0.45239308049569 78.960 > 26 27 Se 0.60920214690196 0.67809946360554 0.95239308049569 78.960 > 27 28 Se 0.39079785309804 0.17809946360554 0.54760691950431 78.960 > 28 *29 Se 0.46854816629971 0.53473533868029 0.31267585976152 78.960 > 29 30 Se 0.53145183370029 0.03473533868029 0.18732414023848 78.960 > 30 31 Se 0.53145183370029 0.46526466131971 0.68732414023848 78.960 > 31 32 Se 0.46854816629971 0.96526466131971 0.81267585976152 78.960 > 32 *33 Se 0.32214830724495 0.59923647176263 0.96611394145178 78.960 > 33 34 Se 0.67785169275505 0.09923647176263 0.53388605854822 78.960 > 34 35 Se 0.67785169275505 0.40076352823737 0.03388605854822 78.960 > 35 36 Se 0.32214830724495 0.90076352823737 0.46611394145178 78.960 > 36 *37 Se 0.18475491821025 0.91661470421979 0.00384251162386 78.960 > 37 38 Se 0.81524508178974 0.41661470421979 0.49615748837614 78.960 > 38 39 Se 0.81524508178974 0.08338529578021 0.99615748837614 78.960 > 39 40 Se 0.18475491821025 0.58338529578021 0.50384251162386 78.960 > 40 *41 Se 0.03919092700164 0.03433043506917 0.31238653599807 78.960 > 41 42 Se 0.96080907299836 0.53433043506917 0.18761346400193 78.960 > 42 43 Se 0.96080907299836 0.96566956493083 0.68761346400193 78.960 > 43 44 Se 0.03919092700164 0.46566956493083 0.81238653599807 78.960 > 44 *45 Se 0.09661873914153 0.19330497126777 0.97512757544665 78.960 > 45 46 Se 0.90338126085847 0.69330497126777 0.52487242455335 78.960 > 46 47 Se 0.90338126085847 0.80669502873223 0.02487242455335 78.960 > 47 48 Se 0.09661873914153 0.30669502873223 0.47512757544665 78.960 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.408479173701462 0.000000000000000 17.297823363183355 Atomic positions (fractional): *1 P 0.43187642610131 0.00773598764897 0.28653630144177 30.974 > 1 2 P 0.43187642610131 0.00773598764897 0.78653630144177 30.974 > 1 3 P 0.56812357389869 0.99226401235103 0.21346369855823 30.974 > 2 4 P 0.56812357389869 0.99226401235103 0.71346369855823 30.974 > 2 5 P 0.43187642610131 0.49226401235103 0.03653630144177 30.974 > 3 6 P 0.43187642610131 0.49226401235103 0.53653630144177 30.974 > 3 *7 P 0.06901038003446 0.46997210574248 0.28173820622276 30.974 > 4 8 P 0.06901038003446 0.46997210574248 0.78173820622276 30.974 > 4 9 P 0.93098961996554 0.96997210574248 0.46826179377724 30.974 > 5 10 P 0.93098961996554 0.96997210574248 0.96826179377724 30.974 > 5 11 P 0.93098961996554 0.53002789425752 0.21826179377724 30.974 > 6 12 P 0.93098961996554 0.53002789425752 0.71826179377724 30.974 > 6 13 P 0.06901038003446 0.03002789425752 0.03173820622276 30.974 > 7 14 P 0.06901038003446 0.03002789425752 0.53173820622276 30.974 > 7 15 P 0.56812357389869 0.50773598764897 0.46346369855823 30.974 > 8 16 P 0.56812357389869 0.50773598764897 0.96346369855823 30.974 > 8 *17 K 0.08108524826423 0.73087924531817 0.39170145154004 39.098 > 9 18 K 0.08108524826423 0.73087924531817 0.89170145154004 39.098 > 9 *19 K 0.18593653861857 0.43456495889657 0.08655772709609 39.098 > 10 20 K 0.18593653861857 0.43456495889657 0.58655772709609 39.098 > 10 21 K 0.18593653861857 0.06543504110343 0.33655772709609 39.098 > 11 22 K 0.18593653861857 0.06543504110343 0.83655772709609 39.098 > 11 *23 K 0.56336373672192 0.21037204110980 0.41646876724741 39.098 > 12 24 K 0.56336373672192 0.21037204110980 0.91646876724741 39.098 > 12 25 K 0.81406346138143 0.93456495889657 0.16344227290391 39.098 > 13 26 K 0.81406346138143 0.93456495889657 0.66344227290391 39.098 > 13 27 K 0.91891475173577 0.23087924531817 0.35829854845996 39.098 > 14 28 K 0.91891475173577 0.23087924531817 0.85829854845996 39.098 > 14 29 K 0.91891475173577 0.26912075468183 0.10829854845995 39.098 > 15 30 K 0.91891475173577 0.26912075468183 0.60829854845996 39.098 > 15 31 K 0.08108524826423 0.76912075468183 0.14170145154004 39.098 > 16 32 K 0.08108524826423 0.76912075468183 0.64170145154004 39.098 > 16 33 K 0.43663626327808 0.71037204110980 0.33353123275259 39.098 > 17 34 K 0.43663626327808 0.71037204110980 0.83353123275259 39.098 > 17 35 K 0.43663626327808 0.78962795889020 0.08353123275259 39.098 > 18 36 K 0.43663626327808 0.78962795889020 0.58353123275259 39.098 > 18 37 K 0.56336373672192 0.28962795889020 0.16646876724741 39.098 > 19 38 K 0.56336373672192 0.28962795889020 0.66646876724741 39.098 > 19 *39 K 0.29411575311266 0.10551222317041 0.10650137161543 39.098 > 20 40 K 0.29411575311266 0.10551222317041 0.60650137161543 39.098 > 20 41 K 0.70588424688734 0.60551222317041 0.14349862838457 39.098 > 21 42 K 0.70588424688734 0.60551222317041 0.64349862838457 39.098 > 21 43 K 0.70588424688734 0.89448777682959 0.39349862838457 39.098 > 22 44 K 0.70588424688734 0.89448777682959 0.89349862838457 39.098 > 22 45 K 0.81406346138143 0.56543504110343 0.41344227290391 39.098 > 23 46 K 0.81406346138143 0.56543504110343 0.91344227290391 39.098 > 23 47 K 0.29411575311266 0.39448777682959 0.35650137161543 39.098 > 24 48 K 0.29411575311266 0.39448777682959 0.85650137161543 39.098 > 24 *49 Se 0.39079785309804 0.32190053639446 0.02380345975215 78.960 > 25 50 Se 0.39079785309804 0.32190053639446 0.52380345975215 78.960 > 25 51 Se 0.60920214690196 0.82190053639446 0.22619654024785 78.960 > 26 52 Se 0.60920214690196 0.82190053639446 0.72619654024785 78.960 > 26 53 Se 0.60920214690196 0.67809946360554 0.47619654024785 78.960 > 27 54 Se 0.60920214690196 0.67809946360554 0.97619654024785 78.960 > 27 55 Se 0.39079785309804 0.17809946360554 0.27380345975215 78.960 > 28 56 Se 0.39079785309804 0.17809946360554 0.77380345975215 78.960 > 28 *57 Se 0.46854816629971 0.53473533868029 0.15633792988076 78.960 > 29 58 Se 0.46854816629971 0.53473533868029 0.65633792988076 78.960 > 29 59 Se 0.53145183370029 0.03473533868029 0.09366207011924 78.960 > 30 60 Se 0.53145183370029 0.03473533868029 0.59366207011924 78.960 > 30 61 Se 0.53145183370029 0.46526466131971 0.34366207011924 78.960 > 31 62 Se 0.53145183370029 0.46526466131971 0.84366207011924 78.960 > 31 63 Se 0.46854816629971 0.96526466131971 0.40633792988076 78.960 > 32 64 Se 0.46854816629971 0.96526466131971 0.90633792988076 78.960 > 32 *65 Se 0.32214830724495 0.59923647176263 0.48305697072589 78.960 > 33 66 Se 0.32214830724495 0.59923647176263 0.98305697072589 78.960 > 33 67 Se 0.67785169275505 0.09923647176263 0.26694302927411 78.960 > 34 68 Se 0.67785169275505 0.09923647176263 0.76694302927411 78.960 > 34 69 Se 0.67785169275505 0.40076352823737 0.01694302927411 78.960 > 35 70 Se 0.67785169275505 0.40076352823737 0.51694302927411 78.960 > 35 71 Se 0.32214830724495 0.90076352823737 0.23305697072589 78.960 > 36 72 Se 0.32214830724495 0.90076352823737 0.73305697072589 78.960 > 36 *73 Se 0.18475491821025 0.91661470421979 0.00192125581193 78.960 > 37 74 Se 0.18475491821025 0.91661470421979 0.50192125581193 78.960 > 37 75 Se 0.81524508178974 0.41661470421979 0.24807874418807 78.960 > 38 76 Se 0.81524508178974 0.41661470421979 0.74807874418807 78.960 > 38 77 Se 0.81524508178974 0.08338529578021 0.49807874418807 78.960 > 39 78 Se 0.81524508178974 0.08338529578021 0.99807874418807 78.960 > 39 79 Se 0.18475491821025 0.58338529578021 0.25192125581193 78.960 > 40 80 Se 0.18475491821025 0.58338529578021 0.75192125581193 78.960 > 40 *81 Se 0.03919092700164 0.03433043506917 0.15619326799904 78.960 > 41 82 Se 0.03919092700164 0.03433043506917 0.65619326799904 78.960 > 41 83 Se 0.96080907299836 0.53433043506917 0.09380673200096 78.960 > 42 84 Se 0.96080907299836 0.53433043506917 0.59380673200096 78.960 > 42 85 Se 0.96080907299836 0.96566956493083 0.34380673200096 78.960 > 43 86 Se 0.96080907299836 0.96566956493083 0.84380673200096 78.960 > 43 87 Se 0.03919092700164 0.46566956493083 0.40619326799904 78.960 > 44 88 Se 0.03919092700164 0.46566956493083 0.90619326799904 78.960 > 44 *89 Se 0.09661873914153 0.19330497126777 0.48756378772332 78.960 > 45 90 Se 0.09661873914153 0.19330497126777 0.98756378772332 78.960 > 45 91 Se 0.90338126085847 0.69330497126777 0.26243621227668 78.960 > 46 92 Se 0.90338126085847 0.69330497126777 0.76243621227668 78.960 > 46 93 Se 0.90338126085847 0.80669502873223 0.01243621227668 78.960 > 47 94 Se 0.90338126085847 0.80669502873223 0.51243621227668 78.960 > 47 95 Se 0.09661873914153 0.30669502873223 0.23756378772332 78.960 > 48 96 Se 0.09661873914153 0.30669502873223 0.73756378772332 78.960 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1258874 0.0000000 0.0703720 0.0000000 4.4935276 0.0000000 0.0703774 0.0000000 4.9014704 -------------------------- Born effective charges -------------------------- 1 P 1.4753067 0.1091335 0.4062542 0.0467654 2.1376868 -0.1697478 0.2670269 -0.1841909 2.0473554 2 P 1.4753067 0.1091335 0.4062542 0.0467654 2.1376868 -0.1697478 0.2670269 -0.1841909 2.0473554 3 P 1.4753067 -0.1091335 0.4062542 -0.0467654 2.1376868 0.1697478 0.2670269 0.1841909 2.0473554 4 P 1.5132826 0.2728189 -0.3601892 0.2459708 1.8781508 -0.1781260 -0.2540648 -0.0818207 2.2187360 5 P 1.5132826 -0.2728189 -0.3601892 -0.2459708 1.8781508 0.1781260 -0.2540648 0.0818207 2.2187360 6 P 1.5132826 0.2728189 -0.3601892 0.2459708 1.8781508 -0.1781260 -0.2540648 -0.0818207 2.2187360 7 P 1.5132826 -0.2728189 -0.3601892 -0.2459708 1.8781508 0.1781260 -0.2540648 0.0818207 2.2187360 8 P 1.4753067 -0.1091335 0.4062542 -0.0467654 2.1376868 0.1697478 0.2670269 0.1841909 2.0473554 9 K 1.0061489 -0.1533583 0.0417482 -0.0924074 1.4655915 0.3687652 0.1524732 0.2998479 1.0819831 10 K 1.3947531 0.0846064 -0.2586876 0.0526573 0.8945558 0.1002662 -0.1701994 0.0519551 1.3201826 11 K 1.3947531 -0.0846064 -0.2586876 -0.0526573 0.8945558 -0.1002662 -0.1701994 -0.0519551 1.3201826 12 K 0.8961035 -0.0282685 0.0698332 -0.0893324 1.4448442 0.2960776 -0.0783767 0.1841961 1.1859674 13 K 1.3947531 -0.0846064 -0.2586876 -0.0526573 0.8945558 -0.1002662 -0.1701994 -0.0519551 1.3201826 14 K 1.0061489 0.1533583 0.0417482 0.0924074 1.4655915 -0.3687652 0.1524732 -0.2998479 1.0819831 15 K 1.0061489 -0.1533583 0.0417482 -0.0924074 1.4655915 0.3687652 0.1524732 0.2998479 1.0819831 16 K 1.0061489 0.1533583 0.0417482 0.0924074 1.4655915 -0.3687652 0.1524732 -0.2998479 1.0819831 17 K 0.8961035 0.0282685 0.0698332 0.0893324 1.4448442 -0.2960776 -0.0783767 -0.1841961 1.1859674 18 K 0.8961035 -0.0282685 0.0698332 -0.0893324 1.4448442 0.2960776 -0.0783767 0.1841961 1.1859674 19 K 0.8961035 0.0282685 0.0698332 0.0893324 1.4448442 -0.2960776 -0.0783767 -0.1841961 1.1859674 20 K 1.4245090 0.0977013 0.2471990 0.0518498 1.0448539 -0.1443775 0.2363015 -0.0759346 1.1419859 21 K 1.4245090 -0.0977013 0.2471990 -0.0518498 1.0448539 0.1443775 0.2363015 0.0759346 1.1419859 22 K 1.4245090 0.0977013 0.2471990 0.0518498 1.0448539 -0.1443775 0.2363015 -0.0759346 1.1419859 23 K 1.3947531 0.0846064 -0.2586876 0.0526573 0.8945558 0.1002662 -0.1701994 0.0519551 1.3201826 24 K 1.4245090 -0.0977013 0.2471990 -0.0518498 1.0448539 0.1443775 0.2363015 0.0759346 1.1419859 25 Se -1.1364893 -0.5495235 0.0265589 -0.5167678 -2.2980682 -0.0872670 0.1687971 0.0109677 -0.9424659 26 Se -1.1364893 0.5495235 0.0265589 0.5167678 -2.2980682 0.0872670 0.1687971 -0.0109677 -0.9424659 27 Se -1.1364893 -0.5495235 0.0265589 -0.5167678 -2.2980682 -0.0872670 0.1687971 0.0109677 -0.9424659 28 Se -1.1364893 0.5495235 0.0265589 0.5167678 -2.2980682 0.0872670 0.1687971 -0.0109677 -0.9424659 29 Se -0.9359285 -0.0365665 0.0226111 -0.1421266 -0.9568328 -0.4789226 -0.0382339 -0.5467578 -2.0981232 30 Se -0.9359285 0.0365665 0.0226111 0.1421266 -0.9568328 0.4789226 -0.0382339 0.5467578 -2.0981232 31 Se -0.9359285 -0.0365665 0.0226111 -0.1421266 -0.9568328 -0.4789226 -0.0382339 -0.5467578 -2.0981232 32 Se -0.9359285 0.0365665 0.0226111 0.1421266 -0.9568328 0.4789226 -0.0382339 0.5467578 -2.0981232 33 Se -1.8053654 0.6631340 -0.3759069 0.5290617 -1.3636674 0.4078857 -0.3266857 0.4041164 -1.2775644 34 Se -1.8053654 -0.6631340 -0.3759069 -0.5290617 -1.3636674 -0.4078857 -0.3266857 -0.4041164 -1.2775644 35 Se -1.8053654 0.6631340 -0.3759069 0.5290617 -1.3636674 0.4078857 -0.3266857 0.4041164 -1.2775644 36 Se -1.8053654 -0.6631340 -0.3759069 -0.5290617 -1.3636674 -0.4078857 -0.3266857 -0.4041164 -1.2775644 37 Se -1.7392660 0.6284729 0.0860309 0.5148520 -1.4140996 -0.2918687 -0.0226204 -0.1485375 -1.0747355 38 Se -1.7392660 -0.6284729 0.0860309 -0.5148520 -1.4140996 0.2918687 -0.0226204 0.1485375 -1.0747355 39 Se -1.7392660 0.6284729 0.0860309 0.5148520 -1.4140996 -0.2918687 -0.0226204 -0.1485375 -1.0747355 40 Se -1.7392660 -0.6284729 0.0860309 -0.5148520 -1.4140996 0.2918687 -0.0226204 0.1485375 -1.0747355 41 Se -1.0138756 0.0049312 -0.0566957 -0.1213441 -1.0394113 -0.3360524 -0.0026812 -0.2778046 -2.4203651 42 Se -1.0138756 -0.0049312 -0.0566957 0.1213441 -1.0394113 0.3360524 -0.0026812 0.2778046 -2.4203651 43 Se -1.0138756 0.0049312 -0.0566957 -0.1213441 -1.0394113 -0.3360524 -0.0026812 -0.2778046 -2.4203651 44 Se -1.0138756 -0.0049312 -0.0566957 0.1213441 -1.0394113 0.3360524 -0.0026812 0.2778046 -2.4203651 45 Se -1.0791790 -0.4643536 0.1512439 -0.4357797 -1.7936037 0.1240213 0.0682634 0.1022432 -1.1829563 46 Se -1.0791790 0.4643536 0.1512439 0.4357797 -1.7936037 -0.1240213 0.0682634 -0.1022432 -1.1829563 47 Se -1.0791790 -0.4643536 0.1512439 -0.4357797 -1.7936037 0.1240213 0.0682634 0.1022432 -1.1829563 48 Se -1.0791790 0.4643536 0.1512439 0.4357797 -1.7936037 -0.1240213 0.0682634 -0.1022432 -1.1829563 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 6), data: (612, 18) @ (18, 6) |-- (112, 106), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 40), data: (1152, 64) @ (64, 40) |-- (152, 132), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 238), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 40), data: (1152, 64) @ (64, 40) |-- (152, 132), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 238), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.117 Solver_block: 200 / 1440 - Time: 0.961 Solver_block: 300 / 1440 - Time: 0.943 Solver_block: 400 / 1440 - Time: 0.950 Solver_block: 500 / 1440 - Time: 0.944 Solver_block: 600 / 1440 - Time: 0.948 Solver_block: 700 / 1440 - Time: 0.946 Solver_block: 800 / 1440 - Time: 0.952 Solver_block: 900 / 1440 - Time: 0.951 Solver_block: 1000 / 1440 - Time: 0.949 Solver_block: 1100 / 1440 - Time: 0.947 Solver_block: 1200 / 1440 - Time: 0.950 Solver_block: 1300 / 1440 - Time: 0.947 Solver_block: 1400 / 1440 - Time: 0.950 Solver_block: 1440 / 1440 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.341 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 6), data: (612, 18) @ (18, 6) |-- (112, 106), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 40), data: (1152, 64) @ (64, 40) |-- (152, 132), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 238), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 40), data: (1152, 64) @ (64, 40) |-- (152, 132), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 238), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:08:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:08:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.204239586850731 0.000000000000000 8.648911681591677 Atomic positions (fractional): 1 P 0.43187642610131 0.00773598764897 0.57307260288353 30.974 2 P 0.56812357389869 0.99226401235103 0.42692739711647 30.974 3 P 0.43187642610131 0.49226401235103 0.07307260288353 30.974 4 P 0.06901038003446 0.46997210574248 0.56347641244552 30.974 5 P 0.93098961996554 0.96997210574248 0.93652358755448 30.974 6 P 0.93098961996554 0.53002789425752 0.43652358755448 30.974 7 P 0.06901038003446 0.03002789425752 0.06347641244552 30.974 8 P 0.56812357389869 0.50773598764897 0.92692739711647 30.974 9 K 0.08108524826423 0.73087924531817 0.78340290308009 39.098 10 K 0.18593653861857 0.43456495889657 0.17311545419219 39.098 11 K 0.18593653861857 0.06543504110343 0.67311545419219 39.098 12 K 0.56336373672192 0.21037204110980 0.83293753449483 39.098 13 K 0.81406346138143 0.93456495889657 0.32688454580781 39.098 14 K 0.91891475173577 0.23087924531817 0.71659709691991 39.098 15 K 0.91891475173577 0.26912075468183 0.21659709691991 39.098 16 K 0.08108524826423 0.76912075468183 0.28340290308009 39.098 17 K 0.43663626327808 0.71037204110980 0.66706246550517 39.098 18 K 0.43663626327808 0.78962795889020 0.16706246550517 39.098 19 K 0.56336373672192 0.28962795889020 0.33293753449483 39.098 20 K 0.29411575311266 0.10551222317041 0.21300274323086 39.098 21 K 0.70588424688734 0.60551222317041 0.28699725676914 39.098 22 K 0.70588424688734 0.89448777682959 0.78699725676914 39.098 23 K 0.81406346138143 0.56543504110343 0.82688454580781 39.098 24 K 0.29411575311266 0.39448777682959 0.71300274323086 39.098 25 Se 0.39079785309804 0.32190053639446 0.04760691950431 78.960 26 Se 0.60920214690196 0.82190053639446 0.45239308049569 78.960 27 Se 0.60920214690196 0.67809946360554 0.95239308049569 78.960 28 Se 0.39079785309804 0.17809946360554 0.54760691950431 78.960 29 Se 0.46854816629971 0.53473533868029 0.31267585976152 78.960 30 Se 0.53145183370029 0.03473533868029 0.18732414023848 78.960 31 Se 0.53145183370029 0.46526466131971 0.68732414023848 78.960 32 Se 0.46854816629971 0.96526466131971 0.81267585976152 78.960 33 Se 0.32214830724495 0.59923647176263 0.96611394145178 78.960 34 Se 0.67785169275505 0.09923647176263 0.53388605854822 78.960 35 Se 0.67785169275505 0.40076352823737 0.03388605854822 78.960 36 Se 0.32214830724495 0.90076352823737 0.46611394145178 78.960 37 Se 0.18475491821025 0.91661470421979 0.00384251162386 78.960 38 Se 0.81524508178974 0.41661470421979 0.49615748837614 78.960 39 Se 0.81524508178974 0.08338529578021 0.99615748837614 78.960 40 Se 0.18475491821025 0.58338529578021 0.50384251162386 78.960 41 Se 0.03919092700164 0.03433043506917 0.31238653599807 78.960 42 Se 0.96080907299836 0.53433043506917 0.18761346400193 78.960 43 Se 0.96080907299836 0.96566956493083 0.68761346400193 78.960 44 Se 0.03919092700164 0.46566956493083 0.81238653599807 78.960 45 Se 0.09661873914153 0.19330497126777 0.97512757544665 78.960 46 Se 0.90338126085847 0.69330497126777 0.52487242455335 78.960 47 Se 0.90338126085847 0.80669502873223 0.02487242455335 78.960 48 Se 0.09661873914153 0.30669502873223 0.47512757544665 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.408479173701462 0.000000000000000 17.297823363183355 Atomic positions (fractional): 1 P 0.43187642610131 0.00773598764897 0.28653630144177 30.974 > 1 2 P 0.43187642610131 0.00773598764897 0.78653630144177 30.974 > 1 3 P 0.56812357389869 0.99226401235103 0.21346369855823 30.974 > 3 4 P 0.56812357389869 0.99226401235103 0.71346369855823 30.974 > 3 5 P 0.43187642610131 0.49226401235103 0.03653630144177 30.974 > 5 6 P 0.43187642610131 0.49226401235103 0.53653630144177 30.974 > 5 7 P 0.06901038003446 0.46997210574248 0.28173820622276 30.974 > 7 8 P 0.06901038003446 0.46997210574248 0.78173820622276 30.974 > 7 9 P 0.93098961996554 0.96997210574248 0.46826179377724 30.974 > 9 10 P 0.93098961996554 0.96997210574248 0.96826179377724 30.974 > 9 11 P 0.93098961996554 0.53002789425752 0.21826179377724 30.974 > 11 12 P 0.93098961996554 0.53002789425752 0.71826179377724 30.974 > 11 13 P 0.06901038003446 0.03002789425752 0.03173820622276 30.974 > 13 14 P 0.06901038003446 0.03002789425752 0.53173820622276 30.974 > 13 15 P 0.56812357389869 0.50773598764897 0.46346369855823 30.974 > 15 16 P 0.56812357389869 0.50773598764897 0.96346369855823 30.974 > 15 17 K 0.08108524826423 0.73087924531817 0.39170145154004 39.098 > 17 18 K 0.08108524826423 0.73087924531817 0.89170145154004 39.098 > 17 19 K 0.18593653861857 0.43456495889657 0.08655772709609 39.098 > 19 20 K 0.18593653861857 0.43456495889657 0.58655772709609 39.098 > 19 21 K 0.18593653861857 0.06543504110343 0.33655772709609 39.098 > 21 22 K 0.18593653861857 0.06543504110343 0.83655772709609 39.098 > 21 23 K 0.56336373672192 0.21037204110980 0.41646876724741 39.098 > 23 24 K 0.56336373672192 0.21037204110980 0.91646876724741 39.098 > 23 25 K 0.81406346138143 0.93456495889657 0.16344227290391 39.098 > 25 26 K 0.81406346138143 0.93456495889657 0.66344227290391 39.098 > 25 27 K 0.91891475173577 0.23087924531817 0.35829854845996 39.098 > 27 28 K 0.91891475173577 0.23087924531817 0.85829854845996 39.098 > 27 29 K 0.91891475173577 0.26912075468183 0.10829854845995 39.098 > 29 30 K 0.91891475173577 0.26912075468183 0.60829854845996 39.098 > 29 31 K 0.08108524826423 0.76912075468183 0.14170145154004 39.098 > 31 32 K 0.08108524826423 0.76912075468183 0.64170145154004 39.098 > 31 33 K 0.43663626327808 0.71037204110980 0.33353123275259 39.098 > 33 34 K 0.43663626327808 0.71037204110980 0.83353123275259 39.098 > 33 35 K 0.43663626327808 0.78962795889020 0.08353123275259 39.098 > 35 36 K 0.43663626327808 0.78962795889020 0.58353123275259 39.098 > 35 37 K 0.56336373672192 0.28962795889020 0.16646876724741 39.098 > 37 38 K 0.56336373672192 0.28962795889020 0.66646876724741 39.098 > 37 39 K 0.29411575311266 0.10551222317041 0.10650137161543 39.098 > 39 40 K 0.29411575311266 0.10551222317041 0.60650137161543 39.098 > 39 41 K 0.70588424688734 0.60551222317041 0.14349862838457 39.098 > 41 42 K 0.70588424688734 0.60551222317041 0.64349862838457 39.098 > 41 43 K 0.70588424688734 0.89448777682959 0.39349862838457 39.098 > 43 44 K 0.70588424688734 0.89448777682959 0.89349862838457 39.098 > 43 45 K 0.81406346138143 0.56543504110343 0.41344227290391 39.098 > 45 46 K 0.81406346138143 0.56543504110343 0.91344227290391 39.098 > 45 47 K 0.29411575311266 0.39448777682959 0.35650137161543 39.098 > 47 48 K 0.29411575311266 0.39448777682959 0.85650137161543 39.098 > 47 49 Se 0.39079785309804 0.32190053639446 0.02380345975215 78.960 > 49 50 Se 0.39079785309804 0.32190053639446 0.52380345975215 78.960 > 49 51 Se 0.60920214690196 0.82190053639446 0.22619654024785 78.960 > 51 52 Se 0.60920214690196 0.82190053639446 0.72619654024785 78.960 > 51 53 Se 0.60920214690196 0.67809946360554 0.47619654024785 78.960 > 53 54 Se 0.60920214690196 0.67809946360554 0.97619654024785 78.960 > 53 55 Se 0.39079785309804 0.17809946360554 0.27380345975215 78.960 > 55 56 Se 0.39079785309804 0.17809946360554 0.77380345975215 78.960 > 55 57 Se 0.46854816629971 0.53473533868029 0.15633792988076 78.960 > 57 58 Se 0.46854816629971 0.53473533868029 0.65633792988076 78.960 > 57 59 Se 0.53145183370029 0.03473533868029 0.09366207011924 78.960 > 59 60 Se 0.53145183370029 0.03473533868029 0.59366207011924 78.960 > 59 61 Se 0.53145183370029 0.46526466131971 0.34366207011924 78.960 > 61 62 Se 0.53145183370029 0.46526466131971 0.84366207011924 78.960 > 61 63 Se 0.46854816629971 0.96526466131971 0.40633792988076 78.960 > 63 64 Se 0.46854816629971 0.96526466131971 0.90633792988076 78.960 > 63 65 Se 0.32214830724495 0.59923647176263 0.48305697072589 78.960 > 65 66 Se 0.32214830724495 0.59923647176263 0.98305697072589 78.960 > 65 67 Se 0.67785169275505 0.09923647176263 0.26694302927411 78.960 > 67 68 Se 0.67785169275505 0.09923647176263 0.76694302927411 78.960 > 67 69 Se 0.67785169275505 0.40076352823737 0.01694302927411 78.960 > 69 70 Se 0.67785169275505 0.40076352823737 0.51694302927411 78.960 > 69 71 Se 0.32214830724495 0.90076352823737 0.23305697072589 78.960 > 71 72 Se 0.32214830724495 0.90076352823737 0.73305697072589 78.960 > 71 73 Se 0.18475491821025 0.91661470421979 0.00192125581193 78.960 > 73 74 Se 0.18475491821025 0.91661470421979 0.50192125581193 78.960 > 73 75 Se 0.81524508178974 0.41661470421979 0.24807874418807 78.960 > 75 76 Se 0.81524508178974 0.41661470421979 0.74807874418807 78.960 > 75 77 Se 0.81524508178974 0.08338529578021 0.49807874418807 78.960 > 77 78 Se 0.81524508178974 0.08338529578021 0.99807874418807 78.960 > 77 79 Se 0.18475491821025 0.58338529578021 0.25192125581193 78.960 > 79 80 Se 0.18475491821025 0.58338529578021 0.75192125581193 78.960 > 79 81 Se 0.03919092700164 0.03433043506917 0.15619326799904 78.960 > 81 82 Se 0.03919092700164 0.03433043506917 0.65619326799904 78.960 > 81 83 Se 0.96080907299836 0.53433043506917 0.09380673200096 78.960 > 83 84 Se 0.96080907299836 0.53433043506917 0.59380673200096 78.960 > 83 85 Se 0.96080907299836 0.96566956493083 0.34380673200096 78.960 > 85 86 Se 0.96080907299836 0.96566956493083 0.84380673200096 78.960 > 85 87 Se 0.03919092700164 0.46566956493083 0.40619326799904 78.960 > 87 88 Se 0.03919092700164 0.46566956493083 0.90619326799904 78.960 > 87 89 Se 0.09661873914153 0.19330497126777 0.48756378772332 78.960 > 89 90 Se 0.09661873914153 0.19330497126777 0.98756378772332 78.960 > 89 91 Se 0.90338126085847 0.69330497126777 0.26243621227668 78.960 > 91 92 Se 0.90338126085847 0.69330497126777 0.76243621227668 78.960 > 91 93 Se 0.90338126085847 0.80669502873223 0.01243621227668 78.960 > 93 94 Se 0.90338126085847 0.80669502873223 0.51243621227668 78.960 > 93 95 Se 0.09661873914153 0.30669502873223 0.23756378772332 78.960 > 95 96 Se 0.09661873914153 0.30669502873223 0.73756378772332 78.960 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1258874 0.0000000 0.0703720 0.0000000 4.4935276 0.0000000 0.0703774 0.0000000 4.9014704 -------------------------- Born effective charges -------------------------- 1 P 1.4753067 0.1091335 0.4062542 0.0467654 2.1376868 -0.1697478 0.2670269 -0.1841909 2.0473554 2 P 1.4753067 0.1091335 0.4062542 0.0467654 2.1376868 -0.1697478 0.2670269 -0.1841909 2.0473554 3 P 1.4753067 -0.1091335 0.4062542 -0.0467654 2.1376868 0.1697478 0.2670269 0.1841909 2.0473554 4 P 1.5132826 0.2728189 -0.3601892 0.2459708 1.8781508 -0.1781260 -0.2540648 -0.0818207 2.2187360 5 P 1.5132826 -0.2728189 -0.3601892 -0.2459708 1.8781508 0.1781260 -0.2540648 0.0818207 2.2187360 6 P 1.5132826 0.2728189 -0.3601892 0.2459708 1.8781508 -0.1781260 -0.2540648 -0.0818207 2.2187360 7 P 1.5132826 -0.2728189 -0.3601892 -0.2459708 1.8781508 0.1781260 -0.2540648 0.0818207 2.2187360 8 P 1.4753067 -0.1091335 0.4062542 -0.0467654 2.1376868 0.1697478 0.2670269 0.1841909 2.0473554 9 K 1.0061489 -0.1533583 0.0417482 -0.0924074 1.4655915 0.3687652 0.1524732 0.2998479 1.0819831 10 K 1.3947531 0.0846064 -0.2586876 0.0526573 0.8945558 0.1002662 -0.1701994 0.0519551 1.3201826 11 K 1.3947531 -0.0846064 -0.2586876 -0.0526573 0.8945558 -0.1002662 -0.1701994 -0.0519551 1.3201826 12 K 0.8961035 -0.0282685 0.0698332 -0.0893324 1.4448442 0.2960776 -0.0783767 0.1841961 1.1859674 13 K 1.3947531 -0.0846064 -0.2586876 -0.0526573 0.8945558 -0.1002662 -0.1701994 -0.0519551 1.3201826 14 K 1.0061489 0.1533583 0.0417482 0.0924074 1.4655915 -0.3687652 0.1524732 -0.2998479 1.0819831 15 K 1.0061489 -0.1533583 0.0417482 -0.0924074 1.4655915 0.3687652 0.1524732 0.2998479 1.0819831 16 K 1.0061489 0.1533583 0.0417482 0.0924074 1.4655915 -0.3687652 0.1524732 -0.2998479 1.0819831 17 K 0.8961035 0.0282685 0.0698332 0.0893324 1.4448442 -0.2960776 -0.0783767 -0.1841961 1.1859674 18 K 0.8961035 -0.0282685 0.0698332 -0.0893324 1.4448442 0.2960776 -0.0783767 0.1841961 1.1859674 19 K 0.8961035 0.0282685 0.0698332 0.0893324 1.4448442 -0.2960776 -0.0783767 -0.1841961 1.1859674 20 K 1.4245090 0.0977013 0.2471990 0.0518498 1.0448539 -0.1443775 0.2363015 -0.0759346 1.1419859 21 K 1.4245090 -0.0977013 0.2471990 -0.0518498 1.0448539 0.1443775 0.2363015 0.0759346 1.1419859 22 K 1.4245090 0.0977013 0.2471990 0.0518498 1.0448539 -0.1443775 0.2363015 -0.0759346 1.1419859 23 K 1.3947531 0.0846064 -0.2586876 0.0526573 0.8945558 0.1002662 -0.1701994 0.0519551 1.3201826 24 K 1.4245090 -0.0977013 0.2471990 -0.0518498 1.0448539 0.1443775 0.2363015 0.0759346 1.1419859 25 Se -1.1364893 -0.5495235 0.0265589 -0.5167678 -2.2980682 -0.0872670 0.1687971 0.0109677 -0.9424659 26 Se -1.1364893 0.5495235 0.0265589 0.5167678 -2.2980682 0.0872670 0.1687971 -0.0109677 -0.9424659 27 Se -1.1364893 -0.5495235 0.0265589 -0.5167678 -2.2980682 -0.0872670 0.1687971 0.0109677 -0.9424659 28 Se -1.1364893 0.5495235 0.0265589 0.5167678 -2.2980682 0.0872670 0.1687971 -0.0109677 -0.9424659 29 Se -0.9359285 -0.0365665 0.0226111 -0.1421266 -0.9568328 -0.4789226 -0.0382339 -0.5467578 -2.0981232 30 Se -0.9359285 0.0365665 0.0226111 0.1421266 -0.9568328 0.4789226 -0.0382339 0.5467578 -2.0981232 31 Se -0.9359285 -0.0365665 0.0226111 -0.1421266 -0.9568328 -0.4789226 -0.0382339 -0.5467578 -2.0981232 32 Se -0.9359285 0.0365665 0.0226111 0.1421266 -0.9568328 0.4789226 -0.0382339 0.5467578 -2.0981232 33 Se -1.8053654 0.6631340 -0.3759069 0.5290617 -1.3636674 0.4078857 -0.3266857 0.4041164 -1.2775644 34 Se -1.8053654 -0.6631340 -0.3759069 -0.5290617 -1.3636674 -0.4078857 -0.3266857 -0.4041164 -1.2775644 35 Se -1.8053654 0.6631340 -0.3759069 0.5290617 -1.3636674 0.4078857 -0.3266857 0.4041164 -1.2775644 36 Se -1.8053654 -0.6631340 -0.3759069 -0.5290617 -1.3636674 -0.4078857 -0.3266857 -0.4041164 -1.2775644 37 Se -1.7392660 0.6284729 0.0860309 0.5148520 -1.4140996 -0.2918687 -0.0226204 -0.1485375 -1.0747355 38 Se -1.7392660 -0.6284729 0.0860309 -0.5148520 -1.4140996 0.2918687 -0.0226204 0.1485375 -1.0747355 39 Se -1.7392660 0.6284729 0.0860309 0.5148520 -1.4140996 -0.2918687 -0.0226204 -0.1485375 -1.0747355 40 Se -1.7392660 -0.6284729 0.0860309 -0.5148520 -1.4140996 0.2918687 -0.0226204 0.1485375 -1.0747355 41 Se -1.0138756 0.0049312 -0.0566957 -0.1213441 -1.0394113 -0.3360524 -0.0026812 -0.2778046 -2.4203651 42 Se -1.0138756 -0.0049312 -0.0566957 0.1213441 -1.0394113 0.3360524 -0.0026812 0.2778046 -2.4203651 43 Se -1.0138756 0.0049312 -0.0566957 -0.1213441 -1.0394113 -0.3360524 -0.0026812 -0.2778046 -2.4203651 44 Se -1.0138756 -0.0049312 -0.0566957 0.1213441 -1.0394113 0.3360524 -0.0026812 0.2778046 -2.4203651 45 Se -1.0791790 -0.4643536 0.1512439 -0.4357797 -1.7936037 0.1240213 0.0682634 0.1022432 -1.1829563 46 Se -1.0791790 0.4643536 0.1512439 0.4357797 -1.7936037 -0.1240213 0.0682634 -0.1022432 -1.1829563 47 Se -1.0791790 -0.4643536 0.1512439 -0.4357797 -1.7936037 0.1240213 0.0682634 0.1022432 -1.1829563 48 Se -1.0791790 0.4643536 0.1512439 0.4357797 -1.7936037 -0.1240213 0.0682634 -0.1022432 -1.1829563 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 19, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 23, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 39, 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:08:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:08:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.204239586850731 0.000000000000000 8.648911681591677 Atomic positions (fractional): 1 P 0.43187642610131 0.00773598764897 0.57307260288353 30.974 2 P 0.56812357389869 0.99226401235103 0.42692739711647 30.974 3 P 0.43187642610131 0.49226401235103 0.07307260288353 30.974 4 P 0.06901038003446 0.46997210574248 0.56347641244552 30.974 5 P 0.93098961996554 0.96997210574248 0.93652358755448 30.974 6 P 0.93098961996554 0.53002789425752 0.43652358755448 30.974 7 P 0.06901038003446 0.03002789425752 0.06347641244552 30.974 8 P 0.56812357389869 0.50773598764897 0.92692739711647 30.974 9 K 0.08108524826423 0.73087924531817 0.78340290308009 39.098 10 K 0.18593653861857 0.43456495889657 0.17311545419219 39.098 11 K 0.18593653861857 0.06543504110343 0.67311545419219 39.098 12 K 0.56336373672192 0.21037204110980 0.83293753449483 39.098 13 K 0.81406346138143 0.93456495889657 0.32688454580781 39.098 14 K 0.91891475173577 0.23087924531817 0.71659709691991 39.098 15 K 0.91891475173577 0.26912075468183 0.21659709691991 39.098 16 K 0.08108524826423 0.76912075468183 0.28340290308009 39.098 17 K 0.43663626327808 0.71037204110980 0.66706246550517 39.098 18 K 0.43663626327808 0.78962795889020 0.16706246550517 39.098 19 K 0.56336373672192 0.28962795889020 0.33293753449483 39.098 20 K 0.29411575311266 0.10551222317041 0.21300274323086 39.098 21 K 0.70588424688734 0.60551222317041 0.28699725676914 39.098 22 K 0.70588424688734 0.89448777682959 0.78699725676914 39.098 23 K 0.81406346138143 0.56543504110343 0.82688454580781 39.098 24 K 0.29411575311266 0.39448777682959 0.71300274323086 39.098 25 Se 0.39079785309804 0.32190053639446 0.04760691950431 78.960 26 Se 0.60920214690196 0.82190053639446 0.45239308049569 78.960 27 Se 0.60920214690196 0.67809946360554 0.95239308049569 78.960 28 Se 0.39079785309804 0.17809946360554 0.54760691950431 78.960 29 Se 0.46854816629971 0.53473533868029 0.31267585976152 78.960 30 Se 0.53145183370029 0.03473533868029 0.18732414023848 78.960 31 Se 0.53145183370029 0.46526466131971 0.68732414023848 78.960 32 Se 0.46854816629971 0.96526466131971 0.81267585976152 78.960 33 Se 0.32214830724495 0.59923647176263 0.96611394145178 78.960 34 Se 0.67785169275505 0.09923647176263 0.53388605854822 78.960 35 Se 0.67785169275505 0.40076352823737 0.03388605854822 78.960 36 Se 0.32214830724495 0.90076352823737 0.46611394145178 78.960 37 Se 0.18475491821025 0.91661470421979 0.00384251162386 78.960 38 Se 0.81524508178974 0.41661470421979 0.49615748837614 78.960 39 Se 0.81524508178974 0.08338529578021 0.99615748837614 78.960 40 Se 0.18475491821025 0.58338529578021 0.50384251162386 78.960 41 Se 0.03919092700164 0.03433043506917 0.31238653599807 78.960 42 Se 0.96080907299836 0.53433043506917 0.18761346400193 78.960 43 Se 0.96080907299836 0.96566956493083 0.68761346400193 78.960 44 Se 0.03919092700164 0.46566956493083 0.81238653599807 78.960 45 Se 0.09661873914153 0.19330497126777 0.97512757544665 78.960 46 Se 0.90338126085847 0.69330497126777 0.52487242455335 78.960 47 Se 0.90338126085847 0.80669502873223 0.02487242455335 78.960 48 Se 0.09661873914153 0.30669502873223 0.47512757544665 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.792081929890010 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407087279999999 0.000000000000000 c -0.408479173701462 0.000000000000000 17.297823363183355 Atomic positions (fractional): 1 P 0.43187642610131 0.00773598764897 0.28653630144177 30.974 > 1 2 P 0.43187642610131 0.00773598764897 0.78653630144177 30.974 > 1 3 P 0.56812357389869 0.99226401235103 0.21346369855823 30.974 > 3 4 P 0.56812357389869 0.99226401235103 0.71346369855823 30.974 > 3 5 P 0.43187642610131 0.49226401235103 0.03653630144177 30.974 > 5 6 P 0.43187642610131 0.49226401235103 0.53653630144177 30.974 > 5 7 P 0.06901038003446 0.46997210574248 0.28173820622276 30.974 > 7 8 P 0.06901038003446 0.46997210574248 0.78173820622276 30.974 > 7 9 P 0.93098961996554 0.96997210574248 0.46826179377724 30.974 > 9 10 P 0.93098961996554 0.96997210574248 0.96826179377724 30.974 > 9 11 P 0.93098961996554 0.53002789425752 0.21826179377724 30.974 > 11 12 P 0.93098961996554 0.53002789425752 0.71826179377724 30.974 > 11 13 P 0.06901038003446 0.03002789425752 0.03173820622276 30.974 > 13 14 P 0.06901038003446 0.03002789425752 0.53173820622276 30.974 > 13 15 P 0.56812357389869 0.50773598764897 0.46346369855823 30.974 > 15 16 P 0.56812357389869 0.50773598764897 0.96346369855823 30.974 > 15 17 K 0.08108524826423 0.73087924531817 0.39170145154004 39.098 > 17 18 K 0.08108524826423 0.73087924531817 0.89170145154004 39.098 > 17 19 K 0.18593653861857 0.43456495889657 0.08655772709609 39.098 > 19 20 K 0.18593653861857 0.43456495889657 0.58655772709609 39.098 > 19 21 K 0.18593653861857 0.06543504110343 0.33655772709609 39.098 > 21 22 K 0.18593653861857 0.06543504110343 0.83655772709609 39.098 > 21 23 K 0.56336373672192 0.21037204110980 0.41646876724741 39.098 > 23 24 K 0.56336373672192 0.21037204110980 0.91646876724741 39.098 > 23 25 K 0.81406346138143 0.93456495889657 0.16344227290391 39.098 > 25 26 K 0.81406346138143 0.93456495889657 0.66344227290391 39.098 > 25 27 K 0.91891475173577 0.23087924531817 0.35829854845996 39.098 > 27 28 K 0.91891475173577 0.23087924531817 0.85829854845996 39.098 > 27 29 K 0.91891475173577 0.26912075468183 0.10829854845995 39.098 > 29 30 K 0.91891475173577 0.26912075468183 0.60829854845996 39.098 > 29 31 K 0.08108524826423 0.76912075468183 0.14170145154004 39.098 > 31 32 K 0.08108524826423 0.76912075468183 0.64170145154004 39.098 > 31 33 K 0.43663626327808 0.71037204110980 0.33353123275259 39.098 > 33 34 K 0.43663626327808 0.71037204110980 0.83353123275259 39.098 > 33 35 K 0.43663626327808 0.78962795889020 0.08353123275259 39.098 > 35 36 K 0.43663626327808 0.78962795889020 0.58353123275259 39.098 > 35 37 K 0.56336373672192 0.28962795889020 0.16646876724741 39.098 > 37 38 K 0.56336373672192 0.28962795889020 0.66646876724741 39.098 > 37 39 K 0.29411575311266 0.10551222317041 0.10650137161543 39.098 > 39 40 K 0.29411575311266 0.10551222317041 0.60650137161543 39.098 > 39 41 K 0.70588424688734 0.60551222317041 0.14349862838457 39.098 > 41 42 K 0.70588424688734 0.60551222317041 0.64349862838457 39.098 > 41 43 K 0.70588424688734 0.89448777682959 0.39349862838457 39.098 > 43 44 K 0.70588424688734 0.89448777682959 0.89349862838457 39.098 > 43 45 K 0.81406346138143 0.56543504110343 0.41344227290391 39.098 > 45 46 K 0.81406346138143 0.56543504110343 0.91344227290391 39.098 > 45 47 K 0.29411575311266 0.39448777682959 0.35650137161543 39.098 > 47 48 K 0.29411575311266 0.39448777682959 0.85650137161543 39.098 > 47 49 Se 0.39079785309804 0.32190053639446 0.02380345975215 78.960 > 49 50 Se 0.39079785309804 0.32190053639446 0.52380345975215 78.960 > 49 51 Se 0.60920214690196 0.82190053639446 0.22619654024785 78.960 > 51 52 Se 0.60920214690196 0.82190053639446 0.72619654024785 78.960 > 51 53 Se 0.60920214690196 0.67809946360554 0.47619654024785 78.960 > 53 54 Se 0.60920214690196 0.67809946360554 0.97619654024785 78.960 > 53 55 Se 0.39079785309804 0.17809946360554 0.27380345975215 78.960 > 55 56 Se 0.39079785309804 0.17809946360554 0.77380345975215 78.960 > 55 57 Se 0.46854816629971 0.53473533868029 0.15633792988076 78.960 > 57 58 Se 0.46854816629971 0.53473533868029 0.65633792988076 78.960 > 57 59 Se 0.53145183370029 0.03473533868029 0.09366207011924 78.960 > 59 60 Se 0.53145183370029 0.03473533868029 0.59366207011924 78.960 > 59 61 Se 0.53145183370029 0.46526466131971 0.34366207011924 78.960 > 61 62 Se 0.53145183370029 0.46526466131971 0.84366207011924 78.960 > 61 63 Se 0.46854816629971 0.96526466131971 0.40633792988076 78.960 > 63 64 Se 0.46854816629971 0.96526466131971 0.90633792988076 78.960 > 63 65 Se 0.32214830724495 0.59923647176263 0.48305697072589 78.960 > 65 66 Se 0.32214830724495 0.59923647176263 0.98305697072589 78.960 > 65 67 Se 0.67785169275505 0.09923647176263 0.26694302927411 78.960 > 67 68 Se 0.67785169275505 0.09923647176263 0.76694302927411 78.960 > 67 69 Se 0.67785169275505 0.40076352823737 0.01694302927411 78.960 > 69 70 Se 0.67785169275505 0.40076352823737 0.51694302927411 78.960 > 69 71 Se 0.32214830724495 0.90076352823737 0.23305697072589 78.960 > 71 72 Se 0.32214830724495 0.90076352823737 0.73305697072589 78.960 > 71 73 Se 0.18475491821025 0.91661470421979 0.00192125581193 78.960 > 73 74 Se 0.18475491821025 0.91661470421979 0.50192125581193 78.960 > 73 75 Se 0.81524508178974 0.41661470421979 0.24807874418807 78.960 > 75 76 Se 0.81524508178974 0.41661470421979 0.74807874418807 78.960 > 75 77 Se 0.81524508178974 0.08338529578021 0.49807874418807 78.960 > 77 78 Se 0.81524508178974 0.08338529578021 0.99807874418807 78.960 > 77 79 Se 0.18475491821025 0.58338529578021 0.25192125581193 78.960 > 79 80 Se 0.18475491821025 0.58338529578021 0.75192125581193 78.960 > 79 81 Se 0.03919092700164 0.03433043506917 0.15619326799904 78.960 > 81 82 Se 0.03919092700164 0.03433043506917 0.65619326799904 78.960 > 81 83 Se 0.96080907299836 0.53433043506917 0.09380673200096 78.960 > 83 84 Se 0.96080907299836 0.53433043506917 0.59380673200096 78.960 > 83 85 Se 0.96080907299836 0.96566956493083 0.34380673200096 78.960 > 85 86 Se 0.96080907299836 0.96566956493083 0.84380673200096 78.960 > 85 87 Se 0.03919092700164 0.46566956493083 0.40619326799904 78.960 > 87 88 Se 0.03919092700164 0.46566956493083 0.90619326799904 78.960 > 87 89 Se 0.09661873914153 0.19330497126777 0.48756378772332 78.960 > 89 90 Se 0.09661873914153 0.19330497126777 0.98756378772332 78.960 > 89 91 Se 0.90338126085847 0.69330497126777 0.26243621227668 78.960 > 91 92 Se 0.90338126085847 0.69330497126777 0.76243621227668 78.960 > 91 93 Se 0.90338126085847 0.80669502873223 0.01243621227668 78.960 > 93 94 Se 0.90338126085847 0.80669502873223 0.51243621227668 78.960 > 93 95 Se 0.09661873914153 0.30669502873223 0.23756378772332 78.960 > 95 96 Se 0.09661873914153 0.30669502873223 0.73756378772332 78.960 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1258874 0.0000000 0.0703720 0.0000000 4.4935276 0.0000000 0.0703774 0.0000000 4.9014704 -------------------------- Born effective charges -------------------------- 1 P 1.4753067 0.1091335 0.4062542 0.0467654 2.1376868 -0.1697478 0.2670269 -0.1841909 2.0473554 2 P 1.4753067 0.1091335 0.4062542 0.0467654 2.1376868 -0.1697478 0.2670269 -0.1841909 2.0473554 3 P 1.4753067 -0.1091335 0.4062542 -0.0467654 2.1376868 0.1697478 0.2670269 0.1841909 2.0473554 4 P 1.5132826 0.2728189 -0.3601892 0.2459708 1.8781508 -0.1781260 -0.2540648 -0.0818207 2.2187360 5 P 1.5132826 -0.2728189 -0.3601892 -0.2459708 1.8781508 0.1781260 -0.2540648 0.0818207 2.2187360 6 P 1.5132826 0.2728189 -0.3601892 0.2459708 1.8781508 -0.1781260 -0.2540648 -0.0818207 2.2187360 7 P 1.5132826 -0.2728189 -0.3601892 -0.2459708 1.8781508 0.1781260 -0.2540648 0.0818207 2.2187360 8 P 1.4753067 -0.1091335 0.4062542 -0.0467654 2.1376868 0.1697478 0.2670269 0.1841909 2.0473554 9 K 1.0061489 -0.1533583 0.0417482 -0.0924074 1.4655915 0.3687652 0.1524732 0.2998479 1.0819831 10 K 1.3947531 0.0846064 -0.2586876 0.0526573 0.8945558 0.1002662 -0.1701994 0.0519551 1.3201826 11 K 1.3947531 -0.0846064 -0.2586876 -0.0526573 0.8945558 -0.1002662 -0.1701994 -0.0519551 1.3201826 12 K 0.8961035 -0.0282685 0.0698332 -0.0893324 1.4448442 0.2960776 -0.0783767 0.1841961 1.1859674 13 K 1.3947531 -0.0846064 -0.2586876 -0.0526573 0.8945558 -0.1002662 -0.1701994 -0.0519551 1.3201826 14 K 1.0061489 0.1533583 0.0417482 0.0924074 1.4655915 -0.3687652 0.1524732 -0.2998479 1.0819831 15 K 1.0061489 -0.1533583 0.0417482 -0.0924074 1.4655915 0.3687652 0.1524732 0.2998479 1.0819831 16 K 1.0061489 0.1533583 0.0417482 0.0924074 1.4655915 -0.3687652 0.1524732 -0.2998479 1.0819831 17 K 0.8961035 0.0282685 0.0698332 0.0893324 1.4448442 -0.2960776 -0.0783767 -0.1841961 1.1859674 18 K 0.8961035 -0.0282685 0.0698332 -0.0893324 1.4448442 0.2960776 -0.0783767 0.1841961 1.1859674 19 K 0.8961035 0.0282685 0.0698332 0.0893324 1.4448442 -0.2960776 -0.0783767 -0.1841961 1.1859674 20 K 1.4245090 0.0977013 0.2471990 0.0518498 1.0448539 -0.1443775 0.2363015 -0.0759346 1.1419859 21 K 1.4245090 -0.0977013 0.2471990 -0.0518498 1.0448539 0.1443775 0.2363015 0.0759346 1.1419859 22 K 1.4245090 0.0977013 0.2471990 0.0518498 1.0448539 -0.1443775 0.2363015 -0.0759346 1.1419859 23 K 1.3947531 0.0846064 -0.2586876 0.0526573 0.8945558 0.1002662 -0.1701994 0.0519551 1.3201826 24 K 1.4245090 -0.0977013 0.2471990 -0.0518498 1.0448539 0.1443775 0.2363015 0.0759346 1.1419859 25 Se -1.1364893 -0.5495235 0.0265589 -0.5167678 -2.2980682 -0.0872670 0.1687971 0.0109677 -0.9424659 26 Se -1.1364893 0.5495235 0.0265589 0.5167678 -2.2980682 0.0872670 0.1687971 -0.0109677 -0.9424659 27 Se -1.1364893 -0.5495235 0.0265589 -0.5167678 -2.2980682 -0.0872670 0.1687971 0.0109677 -0.9424659 28 Se -1.1364893 0.5495235 0.0265589 0.5167678 -2.2980682 0.0872670 0.1687971 -0.0109677 -0.9424659 29 Se -0.9359285 -0.0365665 0.0226111 -0.1421266 -0.9568328 -0.4789226 -0.0382339 -0.5467578 -2.0981232 30 Se -0.9359285 0.0365665 0.0226111 0.1421266 -0.9568328 0.4789226 -0.0382339 0.5467578 -2.0981232 31 Se -0.9359285 -0.0365665 0.0226111 -0.1421266 -0.9568328 -0.4789226 -0.0382339 -0.5467578 -2.0981232 32 Se -0.9359285 0.0365665 0.0226111 0.1421266 -0.9568328 0.4789226 -0.0382339 0.5467578 -2.0981232 33 Se -1.8053654 0.6631340 -0.3759069 0.5290617 -1.3636674 0.4078857 -0.3266857 0.4041164 -1.2775644 34 Se -1.8053654 -0.6631340 -0.3759069 -0.5290617 -1.3636674 -0.4078857 -0.3266857 -0.4041164 -1.2775644 35 Se -1.8053654 0.6631340 -0.3759069 0.5290617 -1.3636674 0.4078857 -0.3266857 0.4041164 -1.2775644 36 Se -1.8053654 -0.6631340 -0.3759069 -0.5290617 -1.3636674 -0.4078857 -0.3266857 -0.4041164 -1.2775644 37 Se -1.7392660 0.6284729 0.0860309 0.5148520 -1.4140996 -0.2918687 -0.0226204 -0.1485375 -1.0747355 38 Se -1.7392660 -0.6284729 0.0860309 -0.5148520 -1.4140996 0.2918687 -0.0226204 0.1485375 -1.0747355 39 Se -1.7392660 0.6284729 0.0860309 0.5148520 -1.4140996 -0.2918687 -0.0226204 -0.1485375 -1.0747355 40 Se -1.7392660 -0.6284729 0.0860309 -0.5148520 -1.4140996 0.2918687 -0.0226204 0.1485375 -1.0747355 41 Se -1.0138756 0.0049312 -0.0566957 -0.1213441 -1.0394113 -0.3360524 -0.0026812 -0.2778046 -2.4203651 42 Se -1.0138756 -0.0049312 -0.0566957 0.1213441 -1.0394113 0.3360524 -0.0026812 0.2778046 -2.4203651 43 Se -1.0138756 0.0049312 -0.0566957 -0.1213441 -1.0394113 -0.3360524 -0.0026812 -0.2778046 -2.4203651 44 Se -1.0138756 -0.0049312 -0.0566957 0.1213441 -1.0394113 0.3360524 -0.0026812 0.2778046 -2.4203651 45 Se -1.0791790 -0.4643536 0.1512439 -0.4357797 -1.7936037 0.1240213 0.0682634 0.1022432 -1.1829563 46 Se -1.0791790 0.4643536 0.1512439 0.4357797 -1.7936037 -0.1240213 0.0682634 -0.1022432 -1.1829563 47 Se -1.0791790 -0.4643536 0.1512439 -0.4357797 -1.7936037 0.1240213 0.0682634 0.1022432 -1.1829563 48 Se -1.0791790 0.4643536 0.1512439 0.4357797 -1.7936037 -0.1240213 0.0682634 -0.1022432 -1.1829563 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 4 4 6 ] 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: 0.36, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 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 0.604 ( 0.000 0.000 0.000) 0.000 0.625 ( 0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 0.778 ( 0.000 0.000 0.000) 0.000 0.800 ( 0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 0.000) 0.000 0.996 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.031 ( 0.000 0.000 0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.171 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.223 ( 0.000 0.000 0.000) 0.000 13.296 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.344 ( 0.000 0.000 0.000) 0.000 13.388 ( 0.000 0.000 0.000) 0.000 13.451 ( 0.000 0.000 0.000) 0.000 13.540 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.753 ( 0.000 0.000 0.000) 0.000 13.963 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( 11.360 0.000 -3.369) 11.849 0.211 ( 10.986 0.000 2.679) 11.308 0.442 ( 21.486 0.000 -0.251) 21.487 0.558 ( -6.266 0.000 -2.089) 6.605 0.608 ( -3.909 0.000 0.188) 3.914 0.686 ( 1.833 0.000 0.889) 2.037 0.801 ( 0.978 0.000 1.146) 1.506 0.886 ( 2.103 0.000 -1.116) 2.380 0.925 ( -2.195 0.000 -2.326) 3.198 1.006 ( -4.341 0.000 2.457) 4.988 1.072 ( 7.922 0.000 2.781) 8.396 1.088 ( -0.399 0.000 1.417) 1.472 1.139 ( -9.931 0.000 2.266) 10.186 1.218 ( 5.371 0.000 -4.229) 6.836 1.357 ( -3.225 0.000 0.418) 3.252 1.371 ( -4.052 0.000 0.257) 4.061 1.390 ( -2.300 0.000 -0.162) 2.305 1.451 ( 2.533 0.000 -1.240) 2.820 1.503 ( -7.137 0.000 -0.573) 7.160 1.541 ( -1.104 0.000 1.318) 1.719 1.630 ( 3.711 0.000 -1.351) 3.949 1.724 ( 4.028 0.000 -2.371) 4.674 1.735 ( -0.415 0.000 3.167) 3.194 1.749 ( 3.087 0.000 -1.864) 3.606 1.768 ( 0.442 0.000 -2.455) 2.495 1.829 ( 0.935 0.000 -3.221) 3.353 1.859 ( 0.144 0.000 -1.432) 1.439 1.896 ( -1.504 0.000 4.972) 5.194 1.944 ( -1.707 0.000 -2.114) 2.717 1.974 ( 1.153 0.000 -2.144) 2.434 2.007 ( -6.682 0.000 2.440) 7.114 2.069 ( -3.726 0.000 3.354) 5.013 2.110 ( 2.137 0.000 0.771) 2.272 2.155 ( 0.803 0.000 2.418) 2.548 2.202 ( 1.978 0.000 -1.233) 2.331 2.268 ( -0.562 0.000 0.941) 1.097 2.278 ( 1.258 0.000 -1.784) 2.182 2.304 ( -0.484 0.000 -1.272) 1.361 2.335 ( 1.197 0.000 1.536) 1.947 2.390 ( -0.839 0.000 0.748) 1.124 2.404 ( 2.042 0.000 0.718) 2.165 2.409 ( 0.656 0.000 4.161) 4.213 2.475 ( -1.234 0.000 -0.348) 1.282 2.504 ( -3.159 0.000 -0.453) 3.191 2.530 ( -0.922 0.000 -1.664) 1.902 2.554 ( 1.978 0.000 -0.532) 2.049 2.559 ( -0.726 0.000 -0.083) 0.730 2.599 ( 1.059 0.000 0.469) 1.158 2.634 ( 1.091 0.000 -3.166) 3.348 2.651 ( 1.400 0.000 0.215) 1.417 2.689 ( -0.056 0.000 0.315) 0.320 2.704 ( -2.022 0.000 0.521) 2.088 2.775 ( 1.355 0.000 0.303) 1.388 2.778 ( -3.001 0.000 -0.370) 3.023 2.808 ( -3.320 0.000 0.127) 3.322 2.827 ( 0.384 0.000 -0.292) 0.482 2.850 ( 0.577 0.000 -0.533) 0.785 2.856 ( 0.265 0.000 0.259) 0.370 2.877 ( 0.659 0.000 0.181) 0.684 2.912 ( -1.602 0.000 -1.118) 1.953 2.940 ( 0.275 0.000 -3.160) 3.172 2.982 ( -2.642 0.000 4.977) 5.634 3.019 ( 4.568 0.000 0.164) 4.571 3.031 ( 4.555 0.000 3.800) 5.932 3.093 ( 1.599 0.000 -1.773) 2.387 3.112 ( -0.110 0.000 -0.950) 0.956 3.122 ( -0.153 0.000 0.774) 0.789 3.168 ( 2.003 0.000 -1.774) 2.676 3.222 ( -1.135 0.000 -0.971) 1.494 3.247 ( -0.494 0.000 0.582) 0.764 3.276 ( 0.677 0.000 -1.662) 1.795 3.280 ( -1.892 0.000 1.873) 2.662 3.281 ( 0.757 0.000 0.055) 0.759 3.363 ( -3.716 0.000 -0.841) 3.809 3.364 ( 0.345 0.000 1.501) 1.540 3.388 ( 1.899 0.000 -1.372) 2.343 3.421 ( -3.757 0.000 0.529) 3.794 3.439 ( -0.626 0.000 -0.564) 0.842 3.507 ( 1.932 0.000 0.228) 1.946 3.595 ( -1.987 0.000 0.351) 2.018 3.671 ( 0.579 0.000 0.510) 0.771 3.679 ( 2.401 0.000 1.178) 2.675 3.795 ( -0.470 0.000 1.066) 1.165 3.877 ( 0.687 0.000 0.299) 0.749 3.880 ( 0.950 0.000 -0.398) 1.030 3.918 ( 0.525 0.000 0.542) 0.754 3.962 ( -1.645 0.000 0.613) 1.755 4.001 ( -0.404 0.000 -2.127) 2.165 4.035 ( -1.170 0.000 -0.550) 1.292 4.061 ( 1.089 0.000 0.337) 1.140 4.104 ( 0.269 0.000 -1.249) 1.278 4.111 ( -3.294 0.000 1.545) 3.638 4.131 ( -0.007 0.000 -1.831) 1.831 4.141 ( 0.304 0.000 4.176) 4.187 4.233 ( -0.610 0.000 -0.595) 0.852 4.243 ( 2.243 0.000 1.708) 2.819 4.253 ( -0.486 0.000 -0.672) 0.830 4.274 ( 2.490 0.000 -1.491) 2.902 4.292 ( 0.545 0.000 0.328) 0.636 4.358 ( -0.090 0.000 -0.484) 0.493 4.380 ( 0.485 0.000 -0.888) 1.012 4.390 ( -1.525 0.000 -0.354) 1.565 4.398 ( 1.443 0.000 0.546) 1.543 4.452 ( 1.301 0.000 -0.472) 1.384 4.493 ( -0.852 0.000 0.240) 0.885 4.527 ( 0.822 0.000 -0.050) 0.823 4.543 ( -0.328 0.000 0.029) 0.329 4.571 ( -1.234 0.000 0.565) 1.357 4.636 ( -0.657 0.000 0.088) 0.663 4.666 ( -0.192 0.000 0.270) 0.331 4.684 ( -0.164 0.000 -2.011) 2.018 4.748 ( 0.422 0.000 0.008) 0.423 5.314 ( 0.629 0.000 0.037) 0.631 5.399 ( 0.276 0.000 -0.630) 0.688 5.399 ( -0.153 0.000 -0.190) 0.244 5.421 ( -0.562 0.000 0.525) 0.769 6.236 ( 0.085 0.000 -0.006) 0.085 6.257 ( 0.004 0.000 -0.012) 0.013 6.388 ( 0.058 0.000 0.003) 0.058 6.393 ( -0.059 0.000 0.033) 0.068 8.712 ( 0.716 0.000 0.182) 0.739 8.743 ( -0.595 0.000 -0.188) 0.623 8.862 ( 0.149 0.000 -7.099) 7.100 8.966 ( -0.196 0.000 7.089) 7.092 13.022 ( -0.373 0.000 -0.203) 0.425 13.045 ( -0.146 0.000 -4.067) 4.070 13.131 ( 0.369 0.000 -0.253) 0.447 13.141 ( 0.156 0.000 0.167) 0.228 13.144 ( -0.467 0.000 -0.697) 0.839 13.150 ( -0.465 0.000 0.071) 0.470 13.184 ( 0.240 0.000 -0.068) 0.249 13.197 ( -0.029 0.000 0.195) 0.198 13.222 ( -0.033 0.000 -0.027) 0.043 13.280 ( 1.297 0.000 -2.139) 2.501 13.282 ( -1.326 0.000 0.710) 1.504 13.314 ( 0.378 0.000 0.693) 0.789 13.356 ( -2.403 0.000 -0.130) 2.407 13.375 ( 1.300 0.000 -0.993) 1.636 13.494 ( 2.627 0.000 3.801) 4.621 13.557 ( 1.725 0.000 -0.034) 1.725 13.600 ( -0.717 0.000 1.681) 1.828 13.654 ( 1.486 0.000 2.061) 2.541 13.733 ( -2.045 0.000 -0.237) 2.059 13.944 ( -1.700 0.000 -0.100) 1.703 ======================= Grid point 2 (3/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -0.000 0.000 -0.000) 0.000 0.378 ( 0.000 0.000 -0.000) 0.000 0.441 ( 0.000 0.000 0.000) 0.000 0.448 ( 0.000 0.000 0.000) 0.000 0.771 ( 0.000 0.000 -0.000) 0.000 0.795 ( -0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 -0.000) 0.000 0.842 ( -0.000 0.000 -0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 0.967 ( 0.000 0.000 -0.000) 0.000 0.974 ( 0.000 0.000 -0.000) 0.000 1.113 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 -0.000) 0.000 1.281 ( 0.000 0.000 -0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 -0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 -0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 -0.000) 0.000 1.772 ( 0.000 0.000 -0.000) 0.000 1.836 ( -0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 -0.000) 0.000 1.875 ( 0.000 0.000 -0.000) 0.000 1.945 ( 0.000 0.000 -0.000) 0.000 2.002 ( 0.000 0.000 -0.000) 0.000 2.026 ( -0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 -0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 -0.000) 0.000 2.260 ( 0.000 0.000 -0.000) 0.000 2.293 ( 0.000 0.000 -0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.425 ( -0.000 0.000 -0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.434 ( -0.000 0.000 -0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 -0.000) 0.000 2.560 ( 0.000 0.000 -0.000) 0.000 2.583 ( 0.000 0.000 -0.000) 0.000 2.620 ( 0.000 0.000 -0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 -0.000) 0.000 2.679 ( -0.000 0.000 -0.000) 0.000 2.687 ( 0.000 0.000 -0.000) 0.000 2.755 ( 0.000 0.000 -0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 -0.000) 0.000 2.852 ( 0.000 0.000 -0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 -0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 -0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 -0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 -0.000) 0.000 3.136 ( 0.000 0.000 -0.000) 0.000 3.188 ( 0.000 0.000 -0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 -0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 -0.000) 0.000 3.288 ( 0.000 0.000 -0.000) 0.000 3.322 ( -0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 -0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 -0.000) 0.000 3.428 ( 0.000 0.000 -0.000) 0.000 3.542 ( -0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 -0.000) 0.000 3.678 ( 0.000 0.000 -0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 -0.000) 0.000 3.943 ( 0.000 0.000 -0.000) 0.000 3.985 ( 0.000 0.000 -0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 -0.000) 0.000 4.110 ( 0.000 0.000 -0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 -0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 -0.000) 0.000 4.350 ( 0.000 0.000 -0.000) 0.000 4.371 ( 0.000 0.000 -0.000) 0.000 4.382 ( 0.000 0.000 -0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 -0.000) 0.000 4.533 ( 0.000 0.000 -0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 -0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 -0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 -0.000) 0.000 5.322 ( 0.000 0.000 -0.000) 0.000 5.395 ( 0.000 0.000 -0.000) 0.000 5.408 ( -0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 -0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 -0.000) 0.000 6.393 ( 0.000 0.000 -0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 -0.000) 0.000 8.862 ( 0.000 0.000 -0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 -0.000) 0.000 13.042 ( 0.000 0.000 -0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 -0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.146 ( 0.000 0.000 -0.000) 0.000 13.188 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 -0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.323 ( 0.000 0.000 -0.000) 0.000 13.384 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 -0.000) 0.000 13.579 ( 0.000 0.000 -0.000) 0.000 13.593 ( 0.000 0.000 0.000) 0.000 13.689 ( 0.000 0.000 0.000) 0.000 13.690 ( -0.000 0.000 -0.000) 0.000 13.923 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/42) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 0.000 13.480 0.000) 13.480 0.334 ( 0.000 15.911 0.000) 15.911 0.432 ( 0.000 12.325 0.000) 12.325 0.692 ( 0.000 12.187 0.000) 12.187 0.721 ( 0.000 -1.586 0.000) 1.586 0.747 ( 0.000 1.787 0.000) 1.787 0.834 ( 0.000 6.804 0.000) 6.804 0.884 ( 0.000 3.351 0.000) 3.351 0.922 ( 0.000 -4.128 0.000) 4.128 0.941 ( 0.000 0.147 0.000) 0.147 1.088 ( 0.000 4.520 0.000) 4.520 1.113 ( 0.000 -5.053 0.000) 5.053 1.135 ( 0.000 0.082 0.000) 0.082 1.193 ( 0.000 2.972 0.000) 2.972 1.328 ( 0.000 -2.054 0.000) 2.054 1.376 ( 0.000 -6.239 0.000) 6.239 1.424 ( 0.000 0.324 0.000) 0.324 1.476 ( 0.000 -0.777 0.000) 0.777 1.526 ( 0.000 -7.238 0.000) 7.238 1.561 ( 0.000 -0.178 0.000) 0.178 1.589 ( 0.000 3.018 0.000) 3.018 1.653 ( 0.000 -8.829 0.000) 8.829 1.667 ( 0.000 2.736 0.000) 2.736 1.670 ( 0.000 -7.897 0.000) 7.897 1.776 ( 0.000 3.365 0.000) 3.365 1.791 ( 0.000 3.055 0.000) 3.055 1.812 ( 0.000 -5.286 0.000) 5.286 1.862 ( 0.000 -3.816 0.000) 3.816 1.889 ( 0.000 -7.981 0.000) 7.981 1.953 ( 0.000 -3.436 0.000) 3.436 1.969 ( 0.000 -0.343 0.000) 0.343 2.080 ( 0.000 -2.242 0.000) 2.242 2.111 ( 0.000 0.115 0.000) 0.115 2.160 ( 0.000 -1.633 0.000) 1.633 2.196 ( 0.000 -2.257 0.000) 2.257 2.207 ( 0.000 -0.338 0.000) 0.338 2.287 ( 0.000 0.952 0.000) 0.952 2.330 ( 0.000 -0.706 0.000) 0.706 2.361 ( 0.000 1.064 0.000) 1.064 2.400 ( 0.000 5.474 0.000) 5.474 2.408 ( 0.000 -0.044 0.000) 0.044 2.425 ( 0.000 4.621 0.000) 4.621 2.438 ( 0.000 -1.842 0.000) 1.842 2.508 ( 0.000 4.026 0.000) 4.026 2.562 ( 0.000 -1.254 0.000) 1.254 2.582 ( 0.000 2.315 0.000) 2.315 2.617 ( 0.000 0.657 0.000) 0.657 2.630 ( 0.000 0.193 0.000) 0.193 2.644 ( 0.000 4.984 0.000) 4.984 2.689 ( 0.000 1.156 0.000) 1.156 2.709 ( 0.000 -1.822 0.000) 1.822 2.719 ( 0.000 4.373 0.000) 4.373 2.760 ( 0.000 3.401 0.000) 3.401 2.790 ( 0.000 -1.717 0.000) 1.717 2.801 ( 0.000 -1.739 0.000) 1.739 2.838 ( 0.000 -0.456 0.000) 0.456 2.858 ( 0.000 1.697 0.000) 1.697 2.900 ( 0.000 -0.678 0.000) 0.678 2.913 ( 0.000 -0.180 0.000) 0.180 2.928 ( 0.000 -1.102 0.000) 1.102 2.947 ( 0.000 -2.888 0.000) 2.888 2.961 ( 0.000 0.908 0.000) 0.908 3.019 ( 0.000 2.712 0.000) 2.712 3.048 ( 0.000 2.568 0.000) 2.568 3.053 ( 0.000 2.486 0.000) 2.486 3.086 ( 0.000 0.836 0.000) 0.836 3.105 ( 0.000 -1.153 0.000) 1.153 3.127 ( 0.000 -2.138 0.000) 2.138 3.191 ( 0.000 -0.379 0.000) 0.379 3.228 ( 0.000 -1.368 0.000) 1.368 3.261 ( 0.000 -0.151 0.000) 0.151 3.283 ( 0.000 -0.516 0.000) 0.516 3.291 ( 0.000 -1.130 0.000) 1.130 3.311 ( 0.000 -2.085 0.000) 2.085 3.337 ( 0.000 -2.798 0.000) 2.798 3.383 ( 0.000 -1.961 0.000) 1.961 3.418 ( 0.000 -1.253 0.000) 1.253 3.480 ( 0.000 -2.509 0.000) 2.509 3.504 ( 0.000 1.444 0.000) 1.444 3.541 ( 0.000 -3.790 0.000) 3.790 3.702 ( 0.000 4.506 0.000) 4.506 3.725 ( 0.000 4.540 0.000) 4.540 3.779 ( 0.000 1.465 0.000) 1.465 3.882 ( 0.000 0.706 0.000) 0.706 3.887 ( 0.000 1.458 0.000) 1.458 3.917 ( 0.000 -0.640 0.000) 0.640 3.951 ( 0.000 -3.167 0.000) 3.167 3.974 ( 0.000 -0.846 0.000) 0.846 4.046 ( 0.000 -1.237 0.000) 1.237 4.069 ( 0.000 -2.122 0.000) 2.122 4.098 ( 0.000 2.424 0.000) 2.424 4.113 ( 0.000 2.258 0.000) 2.258 4.140 ( 0.000 1.404 0.000) 1.404 4.206 ( 0.000 0.145 0.000) 0.145 4.208 ( 0.000 1.989 0.000) 1.989 4.223 ( 0.000 -1.070 0.000) 1.070 4.241 ( 0.000 -0.890 0.000) 0.890 4.254 ( 0.000 -0.801 0.000) 0.801 4.314 ( 0.000 1.255 0.000) 1.255 4.343 ( 0.000 0.329 0.000) 0.329 4.353 ( 0.000 -1.174 0.000) 1.174 4.379 ( 0.000 -0.573 0.000) 0.573 4.430 ( 0.000 1.822 0.000) 1.822 4.452 ( 0.000 1.256 0.000) 1.256 4.497 ( 0.000 -0.468 0.000) 0.468 4.527 ( 0.000 -1.647 0.000) 1.647 4.548 ( 0.000 2.347 0.000) 2.347 4.601 ( 0.000 1.827 0.000) 1.827 4.650 ( 0.000 0.744 0.000) 0.744 4.651 ( 0.000 -1.650 0.000) 1.650 4.708 ( 0.000 -2.487 0.000) 2.487 4.726 ( 0.000 -2.059 0.000) 2.059 5.334 ( 0.000 0.771 0.000) 0.771 5.366 ( 0.000 -0.468 0.000) 0.468 5.411 ( 0.000 0.432 0.000) 0.432 5.425 ( 0.000 -0.120 0.000) 0.120 6.240 ( 0.000 0.424 0.000) 0.424 6.256 ( 0.000 -0.191 0.000) 0.191 6.389 ( 0.000 0.207 0.000) 0.207 6.394 ( 0.000 0.016 0.000) 0.016 8.700 ( 0.000 0.123 0.000) 0.123 8.708 ( 0.000 -0.152 0.000) 0.152 8.784 ( 0.000 1.753 0.000) 1.753 8.897 ( 0.000 -2.728 0.000) 2.728 13.017 ( 0.000 -1.358 0.000) 1.358 13.019 ( 0.000 -0.922 0.000) 0.922 13.132 ( 0.000 0.498 0.000) 0.498 13.141 ( 0.000 0.105 0.000) 0.105 13.182 ( 0.000 0.668 0.000) 0.668 13.183 ( 0.000 1.315 0.000) 1.315 13.187 ( 0.000 0.831 0.000) 0.831 13.208 ( 0.000 1.035 0.000) 1.035 13.241 ( 0.000 2.597 0.000) 2.597 13.312 ( 0.000 -0.088 0.000) 0.088 13.325 ( 0.000 0.798 0.000) 0.798 13.349 ( 0.000 3.471 0.000) 3.471 13.396 ( 0.000 0.862 0.000) 0.862 13.428 ( 0.000 -2.157 0.000) 2.157 13.508 ( 0.000 -2.792 0.000) 2.792 13.532 ( 0.000 -3.182 0.000) 3.182 13.614 ( 0.000 0.914 0.000) 0.914 13.645 ( 0.000 1.387 0.000) 1.387 13.755 ( 0.000 1.110 0.000) 1.110 13.921 ( 0.000 -3.912 0.000) 3.912 ======================= Grid point 6 (5/42) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 3.937 12.219 -2.449) 13.069 0.455 ( 2.895 11.970 2.561) 12.578 0.492 ( 13.729 4.377 1.060) 14.449 0.672 ( -1.684 2.106 -0.066) 2.697 0.723 ( 0.935 14.637 -1.823) 14.779 0.753 ( -0.694 6.333 1.071) 6.460 0.829 ( -1.150 -4.352 -2.181) 5.002 0.868 ( 0.247 1.561 -1.690) 2.314 0.928 ( -0.841 -2.230 0.337) 2.407 0.967 ( 3.149 3.480 2.934) 5.535 1.081 ( -2.321 1.493 0.982) 2.929 1.093 ( -3.032 1.509 2.381) 4.140 1.132 ( 3.985 -0.657 -0.509) 4.070 1.223 ( 1.266 -0.114 -2.414) 2.728 1.277 ( -4.815 -3.640 2.705) 6.614 1.344 ( -1.493 -1.933 -2.401) 3.425 1.419 ( -0.884 -0.205 -0.301) 0.956 1.474 ( -0.695 2.009 -0.784) 2.266 1.482 ( -3.562 -4.501 0.549) 5.766 1.542 ( -3.248 -0.818 -0.409) 3.374 1.625 ( 3.658 -0.633 0.724) 3.782 1.659 ( 0.759 -7.668 -0.175) 7.707 1.683 ( 1.277 -9.459 -1.881) 9.728 1.699 ( 2.412 0.284 -0.007) 2.428 1.755 ( -1.967 -0.505 -1.046) 2.284 1.774 ( 1.207 1.833 -0.296) 2.215 1.793 ( -1.976 -5.203 -0.087) 5.567 1.883 ( -0.364 -4.219 1.464) 4.481 1.910 ( 2.865 -2.260 -0.908) 3.760 1.940 ( -1.635 -1.755 1.591) 2.878 1.989 ( 1.327 -2.283 -3.195) 4.145 2.035 ( -4.181 0.830 1.388) 4.483 2.102 ( -0.526 -1.094 3.567) 3.768 2.138 ( -1.993 -0.748 0.993) 2.349 2.178 ( 0.019 -3.068 -2.037) 3.682 2.228 ( 0.534 -3.231 1.591) 3.640 2.279 ( -0.018 0.898 -0.739) 1.163 2.344 ( 1.250 -0.205 0.380) 1.323 2.373 ( 0.585 -0.299 0.712) 0.969 2.396 ( -0.184 2.529 -0.621) 2.611 2.428 ( 1.660 2.773 -1.367) 3.509 2.438 ( 1.163 2.931 -0.089) 3.155 2.456 ( 1.005 1.216 1.091) 1.918 2.508 ( -0.132 1.980 -0.072) 1.986 2.535 ( -3.401 0.123 0.434) 3.431 2.579 ( 0.707 1.916 -0.501) 2.103 2.603 ( -1.145 1.943 2.022) 3.029 2.620 ( -0.325 1.832 0.662) 1.975 2.670 ( 0.261 2.510 -0.380) 2.552 2.694 ( 1.468 0.769 -2.026) 2.618 2.714 ( 0.561 0.927 -2.735) 2.941 2.722 ( 0.376 1.009 0.644) 1.255 2.730 ( -0.912 1.799 0.092) 2.019 2.793 ( -2.015 -0.854 0.974) 2.395 2.817 ( -0.109 0.381 2.015) 2.054 2.840 ( 2.722 -0.140 -0.477) 2.767 2.858 ( -0.772 0.712 -0.938) 1.408 2.863 ( -0.631 2.071 -1.315) 2.533 2.900 ( -1.197 -0.411 -2.797) 3.070 2.908 ( -1.533 0.155 0.359) 1.582 2.981 ( 0.514 2.231 -0.837) 2.437 2.987 ( 0.621 -1.498 2.753) 3.195 3.029 ( -0.357 1.366 1.253) 1.887 3.032 ( 1.698 -0.482 1.306) 2.196 3.074 ( 1.781 0.827 -0.519) 2.031 3.099 ( 0.948 0.006 1.933) 2.153 3.115 ( 1.077 0.454 -1.204) 1.678 3.134 ( 1.609 -2.715 -1.449) 3.472 3.185 ( -0.957 -0.405 0.462) 1.137 3.225 ( -1.327 -2.780 -0.021) 3.081 3.249 ( 0.308 -1.817 -1.150) 2.173 3.265 ( -1.328 -0.593 0.596) 1.572 3.284 ( -0.208 -0.977 0.425) 1.085 3.319 ( -0.167 -1.958 0.062) 1.966 3.330 ( -1.808 -2.080 -0.639) 2.829 3.388 ( 0.918 -1.259 0.916) 1.807 3.419 ( 0.344 -0.921 -0.528) 1.116 3.465 ( -1.529 0.347 0.483) 1.641 3.498 ( 0.085 -0.073 -0.701) 0.710 3.531 ( -0.729 -4.187 1.055) 4.379 3.710 ( 0.564 3.537 -0.069) 3.583 3.749 ( 2.046 5.096 1.156) 5.612 3.791 ( 0.282 0.750 -0.072) 0.805 3.882 ( 0.102 -0.014 -0.219) 0.242 3.896 ( 0.842 0.995 0.532) 1.408 3.921 ( 0.405 0.006 -0.106) 0.419 3.962 ( -1.013 -0.339 0.334) 1.119 3.978 ( 2.277 -2.181 -0.864) 3.269 4.033 ( -1.861 0.121 -1.386) 2.324 4.064 ( 0.542 -1.877 -1.688) 2.582 4.093 ( -0.347 0.790 2.103) 2.273 4.119 ( 0.261 0.917 1.439) 1.726 4.132 ( -1.546 0.949 0.307) 1.840 4.150 ( -1.991 1.488 -0.652) 2.570 4.208 ( -0.922 -1.929 0.277) 2.156 4.231 ( -0.513 -1.532 -0.906) 1.852 4.268 ( 2.333 0.728 0.804) 2.573 4.283 ( 2.790 0.011 -0.974) 2.955 4.308 ( -0.045 0.870 -0.328) 0.931 4.326 ( -0.856 0.064 0.235) 0.890 4.371 ( 0.387 -0.984 0.875) 1.373 4.383 ( -0.570 -0.314 0.626) 0.903 4.419 ( 0.125 1.155 0.351) 1.213 4.474 ( 1.548 1.859 0.052) 2.420 4.505 ( -0.830 -0.156 -0.585) 1.027 4.527 ( -0.225 1.251 -1.400) 1.891 4.537 ( 1.347 -0.608 -0.431) 1.540 4.587 ( -1.365 1.376 1.361) 2.369 4.633 ( -0.088 -0.208 -1.697) 1.712 4.671 ( 0.788 0.338 0.663) 1.084 4.704 ( -1.882 -0.996 0.361) 2.160 4.729 ( 1.021 -1.463 -0.365) 1.821 5.334 ( 0.263 1.304 0.122) 1.336 5.382 ( 0.976 -1.031 -0.033) 1.420 5.408 ( -0.289 0.469 -0.213) 0.591 5.421 ( -0.481 -0.053 -0.124) 0.500 6.240 ( 0.013 0.357 -0.008) 0.358 6.255 ( -0.042 -0.237 -0.007) 0.241 6.390 ( 0.065 0.219 0.056) 0.236 6.394 ( -0.010 0.064 0.036) 0.074 8.716 ( 1.025 0.282 0.160) 1.075 8.750 ( 1.312 -0.314 -0.257) 1.373 8.794 ( 1.760 -1.756 -1.222) 2.771 8.900 ( 0.248 -3.739 1.513) 4.041 13.002 ( -0.905 -1.060 0.464) 1.469 13.013 ( -0.827 -1.623 -0.922) 2.042 13.138 ( 0.507 0.464 -0.284) 0.744 13.143 ( 0.238 0.177 -0.440) 0.531 13.175 ( 0.045 2.262 0.110) 2.265 13.183 ( -0.156 0.523 -0.080) 0.552 13.207 ( 1.263 1.157 0.191) 1.724 13.220 ( 0.558 0.547 0.348) 0.855 13.250 ( 0.971 2.941 0.415) 3.124 13.304 ( -1.128 2.068 -0.520) 2.412 13.315 ( -0.014 0.071 0.875) 0.878 13.354 ( -0.881 3.273 -2.295) 4.093 13.366 ( -1.947 1.160 -0.826) 2.412 13.428 ( -2.826 2.338 -3.711) 5.218 13.470 ( 0.336 -2.037 4.991) 5.401 13.526 ( 1.211 -2.803 -0.047) 3.054 13.596 ( -0.766 0.205 1.138) 1.387 13.657 ( 0.850 -0.275 0.611) 1.082 13.738 ( -1.561 1.615 -0.035) 2.246 13.906 ( -1.449 -3.678 -0.081) 3.954 ======================= Grid point 7 (6/42) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 6.614 0.000) 6.614 0.456 ( 0.000 8.662 -0.000) 8.662 0.599 ( 0.000 11.307 -0.000) 11.307 0.699 ( 0.000 9.384 0.000) 9.384 0.749 ( -0.000 -1.668 0.000) 1.668 0.777 ( -0.000 4.845 -0.000) 4.845 0.806 ( 0.000 -2.917 0.000) 2.917 0.837 ( 0.000 0.707 0.000) 0.707 0.913 ( 0.000 3.803 -0.000) 3.803 1.026 ( -0.000 8.888 -0.000) 8.888 1.027 ( 0.000 0.515 0.000) 0.515 1.064 ( 0.000 0.654 -0.000) 0.654 1.193 ( 0.000 -8.141 0.000) 8.141 1.226 ( 0.000 -3.134 -0.000) 3.134 1.260 ( 0.000 2.124 -0.000) 2.124 1.297 ( 0.000 -0.052 -0.000) 0.052 1.406 ( 0.000 1.219 0.000) 1.219 1.415 ( 0.000 0.987 -0.000) 0.987 1.475 ( 0.000 -0.484 -0.000) 0.484 1.508 ( 0.000 -2.567 0.000) 2.567 1.664 ( 0.000 -6.401 -0.000) 6.401 1.681 ( 0.000 -1.386 0.000) 1.386 1.688 ( 0.000 -9.627 0.000) 9.627 1.722 ( 0.000 -3.580 -0.000) 3.580 1.739 ( 0.000 -2.821 0.000) 2.821 1.765 ( 0.000 -4.463 -0.000) 4.463 1.832 ( -0.000 -0.249 0.000) 0.249 1.859 ( 0.000 -0.858 -0.000) 0.858 1.910 ( 0.000 -1.425 -0.000) 1.425 1.916 ( -0.000 -0.204 0.000) 0.204 2.001 ( 0.000 0.716 -0.000) 0.716 2.005 ( -0.000 -2.238 0.000) 2.238 2.097 ( 0.000 -0.920 0.000) 0.920 2.120 ( 0.000 -1.912 -0.000) 1.912 2.178 ( 0.000 -3.027 -0.000) 3.027 2.232 ( 0.000 -3.568 0.000) 3.568 2.283 ( 0.000 0.317 -0.000) 0.317 2.359 ( 0.000 -0.040 -0.000) 0.040 2.378 ( 0.000 -1.792 0.000) 1.792 2.402 ( 0.000 1.783 -0.000) 1.783 2.440 ( 0.000 5.146 0.000) 5.146 2.453 ( 0.000 2.531 0.000) 2.531 2.473 ( 0.000 1.661 -0.000) 1.661 2.474 ( -0.000 1.791 0.000) 1.791 2.512 ( 0.000 0.391 -0.000) 0.391 2.591 ( 0.000 -1.129 -0.000) 1.129 2.593 ( 0.000 5.012 0.000) 5.012 2.622 ( 0.000 2.493 0.000) 2.493 2.654 ( 0.000 -0.201 -0.000) 0.201 2.706 ( 0.000 -0.750 -0.000) 0.750 2.726 ( 0.000 2.631 -0.000) 2.631 2.731 ( -0.000 2.858 0.000) 2.858 2.733 ( 0.000 1.834 -0.000) 1.834 2.771 ( 0.000 -1.355 0.000) 1.355 2.810 ( 0.000 1.695 -0.000) 1.695 2.843 ( 0.000 0.481 0.000) 0.481 2.864 ( -0.000 1.726 0.000) 1.726 2.864 ( 0.000 1.303 -0.000) 1.303 2.889 ( 0.000 -0.673 -0.000) 0.673 2.916 ( 0.000 1.037 0.000) 1.037 2.945 ( 0.000 1.066 0.000) 1.066 2.984 ( 0.000 1.911 0.000) 1.911 3.046 ( 0.000 -2.730 0.000) 2.730 3.053 ( 0.000 -2.258 -0.000) 2.258 3.098 ( 0.000 1.516 -0.000) 1.516 3.106 ( 0.000 1.823 0.000) 1.823 3.135 ( 0.000 -3.194 -0.000) 3.194 3.158 ( 0.000 -0.129 0.000) 0.129 3.170 ( 0.000 -2.209 -0.000) 2.209 3.229 ( 0.000 -2.506 -0.000) 2.506 3.236 ( -0.000 -0.656 -0.000) 0.656 3.251 ( 0.000 -3.708 0.000) 3.708 3.281 ( 0.000 -1.461 0.000) 1.461 3.296 ( 0.000 -0.168 0.000) 0.168 3.315 ( 0.000 -1.206 -0.000) 1.206 3.399 ( 0.000 -2.600 -0.000) 2.600 3.426 ( 0.000 0.958 -0.000) 0.958 3.447 ( 0.000 1.878 -0.000) 1.878 3.502 ( 0.000 -1.991 0.000) 1.991 3.524 ( 0.000 -3.375 -0.000) 3.375 3.716 ( 0.000 3.222 0.000) 3.222 3.774 ( 0.000 5.593 -0.000) 5.593 3.789 ( 0.000 0.508 0.000) 0.508 3.883 ( 0.000 -0.752 -0.000) 0.752 3.911 ( 0.000 1.136 -0.000) 1.136 3.922 ( 0.000 -0.390 -0.000) 0.390 3.951 ( 0.000 0.505 -0.000) 0.505 4.002 ( 0.000 1.490 -0.000) 1.490 4.013 ( 0.000 -1.224 0.000) 1.224 4.068 ( 0.000 -0.782 0.000) 0.782 4.090 ( 0.000 -0.097 -0.000) 0.097 4.114 ( 0.000 -1.317 0.000) 1.317 4.126 ( 0.000 0.409 0.000) 0.409 4.126 ( -0.000 0.794 -0.000) 0.794 4.198 ( 0.000 -1.429 0.000) 1.429 4.225 ( 0.000 -1.889 0.000) 1.889 4.302 ( -0.000 1.585 0.000) 1.585 4.305 ( 0.000 0.937 -0.000) 0.937 4.312 ( 0.000 -1.190 -0.000) 1.190 4.322 ( 0.000 0.276 -0.000) 0.276 4.363 ( 0.000 -0.011 -0.000) 0.011 4.370 ( 0.000 -0.780 0.000) 0.780 4.431 ( 0.000 -1.085 -0.000) 1.085 4.477 ( 0.000 1.931 -0.000) 1.931 4.506 ( 0.000 2.851 0.000) 2.851 4.527 ( 0.000 -0.880 -0.000) 0.880 4.556 ( 0.000 1.142 -0.000) 1.142 4.566 ( 0.000 -0.128 0.000) 0.128 4.643 ( 0.000 1.116 -0.000) 1.116 4.674 ( 0.000 -0.719 -0.000) 0.719 4.679 ( 0.000 0.773 -0.000) 0.773 4.738 ( 0.000 -1.476 -0.000) 1.476 5.338 ( 0.000 1.337 -0.000) 1.337 5.391 ( 0.000 -0.792 0.000) 0.792 5.406 ( 0.000 0.187 0.000) 0.187 5.413 ( 0.000 0.164 -0.000) 0.164 6.240 ( 0.000 0.291 0.000) 0.291 6.255 ( 0.000 -0.275 0.000) 0.275 6.391 ( 0.000 0.223 -0.000) 0.223 6.394 ( 0.000 0.109 -0.000) 0.109 8.732 ( 0.000 0.359 -0.000) 0.359 8.747 ( 0.000 1.797 -0.000) 1.797 8.815 ( 0.000 -3.162 -0.000) 3.162 8.903 ( 0.000 -4.725 0.000) 4.725 12.995 ( 0.000 -1.379 0.000) 1.379 13.001 ( 0.000 -1.831 -0.000) 1.831 13.144 ( 0.000 0.547 -0.000) 0.547 13.146 ( 0.000 0.199 -0.000) 0.199 13.177 ( 0.000 2.510 0.000) 2.510 13.180 ( 0.000 0.869 -0.000) 0.869 13.221 ( 0.000 0.061 0.000) 0.061 13.233 ( -0.000 2.456 -0.000) 2.456 13.248 ( 0.000 3.654 0.000) 3.654 13.293 ( 0.000 1.520 0.000) 1.520 13.316 ( 0.000 1.644 -0.000) 1.644 13.334 ( 0.000 2.126 -0.000) 2.126 13.353 ( 0.000 2.548 -0.000) 2.548 13.401 ( 0.000 1.800 -0.000) 1.800 13.486 ( 0.000 -3.352 0.000) 3.352 13.538 ( 0.000 -3.738 -0.000) 3.738 13.592 ( 0.000 0.007 -0.000) 0.007 13.670 ( 0.000 -1.933 -0.000) 1.933 13.716 ( 0.000 2.963 -0.000) 2.963 13.888 ( 0.000 -3.400 -0.000) 3.400 ======================= Grid point 10 (7/42) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 -5.611 0.000) 5.611 0.504 ( 0.000 5.611 0.000) 5.611 0.618 ( 0.000 -11.273 0.000) 11.273 0.618 ( 0.000 11.273 0.000) 11.273 0.725 ( 0.000 -2.716 0.000) 2.716 0.725 ( 0.000 2.716 0.000) 2.716 0.886 ( 0.000 -1.495 0.000) 1.495 0.886 ( 0.000 1.495 0.000) 1.495 1.029 ( 0.000 -5.211 0.000) 5.211 1.029 ( 0.000 5.211 0.000) 5.211 1.147 ( 0.000 -9.501 0.000) 9.501 1.147 ( 0.000 9.501 0.000) 9.501 1.179 ( 0.000 -4.370 0.000) 4.370 1.179 ( 0.000 4.370 0.000) 4.370 1.272 ( 0.000 -9.787 0.000) 9.787 1.272 ( 0.000 9.787 0.000) 9.787 1.404 ( 0.000 -10.676 0.000) 10.676 1.404 ( 0.000 10.676 0.000) 10.676 1.510 ( 0.000 -7.447 0.000) 7.447 1.510 ( 0.000 7.447 0.000) 7.447 1.537 ( 0.000 -0.949 0.000) 0.949 1.537 ( 0.000 0.949 0.000) 0.949 1.696 ( 0.000 -7.018 0.000) 7.018 1.696 ( 0.000 7.018 0.000) 7.018 1.741 ( 0.000 -4.673 0.000) 4.673 1.741 ( 0.000 4.673 0.000) 4.673 1.812 ( 0.000 -1.498 0.000) 1.498 1.812 ( 0.000 1.498 0.000) 1.498 1.887 ( 0.000 -4.000 0.000) 4.000 1.887 ( 0.000 4.000 0.000) 4.000 2.001 ( 0.000 -3.984 0.000) 3.984 2.001 ( 0.000 3.984 0.000) 3.984 2.134 ( 0.000 -1.114 0.000) 1.114 2.134 ( 0.000 1.114 0.000) 1.114 2.171 ( 0.000 -0.659 0.000) 0.659 2.171 ( 0.000 0.659 0.000) 0.659 2.309 ( 0.000 -0.666 0.000) 0.666 2.309 ( 0.000 0.666 0.000) 0.666 2.388 ( 0.000 -1.397 0.000) 1.397 2.388 ( 0.000 1.397 0.000) 1.397 2.449 ( 0.000 -1.172 0.000) 1.172 2.449 ( 0.000 1.172 0.000) 1.172 2.509 ( 0.000 -3.914 0.000) 3.914 2.509 ( 0.000 3.914 0.000) 3.914 2.613 ( 0.000 -4.105 0.000) 4.105 2.613 ( 0.000 4.105 0.000) 4.105 2.618 ( 0.000 -2.091 0.000) 2.091 2.618 ( 0.000 2.091 0.000) 2.091 2.674 ( 0.000 -4.410 0.000) 4.410 2.674 ( 0.000 4.410 0.000) 4.410 2.735 ( 0.000 -3.681 0.000) 3.681 2.735 ( 0.000 3.681 0.000) 3.681 2.793 ( 0.000 -0.336 0.000) 0.336 2.793 ( 0.000 0.336 0.000) 0.336 2.844 ( 0.000 -5.027 0.000) 5.027 2.844 ( 0.000 5.027 0.000) 5.027 2.847 ( 0.000 -3.288 0.000) 3.288 2.847 ( 0.000 3.288 0.000) 3.288 2.911 ( 0.000 -0.797 0.000) 0.797 2.911 ( 0.000 0.797 0.000) 0.797 2.963 ( 0.000 -2.663 0.000) 2.663 2.963 ( 0.000 2.663 0.000) 2.663 3.036 ( 0.000 -0.713 0.000) 0.713 3.036 ( 0.000 0.713 0.000) 0.713 3.058 ( 0.000 -0.162 0.000) 0.162 3.058 ( 0.000 0.162 0.000) 0.162 3.155 ( 0.000 -1.280 0.000) 1.280 3.155 ( 0.000 1.280 0.000) 1.280 3.197 ( 0.000 -2.735 0.000) 2.735 3.197 ( 0.000 2.735 0.000) 2.735 3.259 ( 0.000 -3.914 0.000) 3.914 3.259 ( 0.000 3.914 0.000) 3.914 3.281 ( 0.000 -0.921 0.000) 0.921 3.281 ( 0.000 0.921 0.000) 0.921 3.332 ( 0.000 -2.308 0.000) 2.308 3.332 ( 0.000 2.308 0.000) 2.308 3.411 ( 0.000 -1.582 0.000) 1.582 3.411 ( 0.000 1.582 0.000) 1.582 3.519 ( 0.000 -0.262 0.000) 0.262 3.519 ( 0.000 0.262 0.000) 0.262 3.774 ( 0.000 -1.686 0.000) 1.686 3.774 ( 0.000 1.686 0.000) 1.686 3.831 ( 0.000 -4.694 0.000) 4.694 3.831 ( 0.000 4.694 0.000) 4.694 3.909 ( 0.000 -0.452 0.000) 0.452 3.909 ( 0.000 0.452 0.000) 0.452 3.945 ( 0.000 -1.592 0.000) 1.592 3.945 ( 0.000 1.592 0.000) 1.592 4.035 ( 0.000 -0.682 0.000) 0.682 4.035 ( 0.000 0.682 0.000) 0.682 4.137 ( 0.000 -0.659 0.000) 0.659 4.137 ( 0.000 0.659 0.000) 0.659 4.176 ( 0.000 -2.010 0.000) 2.010 4.176 ( 0.000 2.010 0.000) 2.010 4.229 ( 0.000 -0.449 0.000) 0.449 4.229 ( 0.000 0.449 0.000) 0.449 4.233 ( 0.000 -0.276 0.000) 0.276 4.233 ( 0.000 0.276 0.000) 0.276 4.331 ( 0.000 -0.857 0.000) 0.857 4.331 ( 0.000 0.857 0.000) 0.857 4.363 ( 0.000 -1.124 0.000) 1.124 4.363 ( 0.000 1.124 0.000) 1.124 4.472 ( 0.000 -0.908 0.000) 0.908 4.472 ( 0.000 0.908 0.000) 0.908 4.485 ( 0.000 -0.604 0.000) 0.604 4.485 ( 0.000 0.604 0.000) 0.604 4.604 ( 0.000 -2.803 0.000) 2.803 4.604 ( 0.000 2.803 0.000) 2.803 4.653 ( 0.000 -2.930 0.000) 2.930 4.653 ( 0.000 2.930 0.000) 2.930 4.677 ( 0.000 -2.100 0.000) 2.100 4.677 ( 0.000 2.100 0.000) 2.100 5.352 ( 0.000 -0.876 0.000) 0.876 5.352 ( 0.000 0.876 0.000) 0.876 5.420 ( 0.000 -0.389 0.000) 0.389 5.420 ( 0.000 0.389 0.000) 0.389 6.249 ( 0.000 -0.430 0.000) 0.430 6.249 ( 0.000 0.430 0.000) 0.430 6.393 ( 0.000 -0.132 0.000) 0.132 6.393 ( 0.000 0.132 0.000) 0.132 8.704 ( 0.000 -0.237 0.000) 0.237 8.704 ( 0.000 0.237 0.000) 0.237 8.834 ( 0.000 -3.090 0.000) 3.090 8.834 ( 0.000 3.090 0.000) 3.090 13.006 ( 0.000 -0.213 0.000) 0.213 13.006 ( 0.000 0.213 0.000) 0.213 13.141 ( 0.000 -0.229 0.000) 0.229 13.141 ( 0.000 0.229 0.000) 0.229 13.190 ( 0.000 -0.227 0.000) 0.227 13.190 ( 0.000 0.227 0.000) 0.227 13.209 ( 0.000 -0.833 0.000) 0.833 13.209 ( 0.000 0.833 0.000) 0.833 13.295 ( 0.000 -1.677 0.000) 1.677 13.295 ( 0.000 1.677 0.000) 1.677 13.366 ( 0.000 -2.990 0.000) 2.990 13.366 ( 0.000 2.990 0.000) 2.990 13.421 ( 0.000 -0.062 0.000) 0.062 13.421 ( 0.000 0.062 0.000) 0.062 13.465 ( 0.000 -1.598 0.000) 1.598 13.465 ( 0.000 1.598 0.000) 1.598 13.639 ( 0.000 -1.368 0.000) 1.368 13.639 ( 0.000 1.368 0.000) 1.368 13.824 ( 0.000 -5.028 0.000) 5.028 13.824 ( 0.000 5.028 0.000) 5.028 ======================= Grid point 12 (8/42) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 2.590 -2.357 2.331) 4.207 0.560 ( 2.590 2.357 2.331) 4.207 0.627 ( 2.820 -6.744 -1.810) 7.531 0.627 ( 2.820 6.744 -1.810) 7.531 0.743 ( 1.543 -3.117 -0.134) 3.481 0.743 ( 1.543 3.117 -0.134) 3.481 0.886 ( 0.000 -3.634 -0.296) 3.646 0.886 ( 0.000 3.634 -0.296) 3.646 1.019 ( -1.098 -1.983 -0.159) 2.272 1.019 ( -1.098 1.983 -0.159) 2.272 1.119 ( -1.862 -10.809 2.775) 11.314 1.119 ( -1.862 10.809 2.775) 11.314 1.192 ( 0.968 -3.571 -2.955) 4.735 1.192 ( 0.968 3.571 -2.955) 4.735 1.270 ( 0.028 -9.959 0.657) 9.981 1.270 ( 0.028 9.959 0.657) 9.981 1.420 ( 1.380 -10.593 -0.835) 10.715 1.420 ( 1.380 10.593 -0.835) 10.715 1.496 ( -1.357 -6.895 1.183) 7.126 1.496 ( -1.357 6.895 1.183) 7.126 1.519 ( -2.201 -2.128 -1.294) 3.324 1.519 ( -2.201 2.128 -1.294) 3.324 1.688 ( -0.467 -4.429 0.861) 4.536 1.688 ( -0.467 4.429 0.861) 4.536 1.730 ( -0.990 -1.631 0.503) 1.973 1.730 ( -0.990 1.631 0.503) 1.973 1.811 ( 1.115 -1.987 -0.952) 2.470 1.811 ( 1.115 1.987 -0.952) 2.470 1.913 ( 1.170 -1.174 0.002) 1.658 1.913 ( 1.170 1.174 0.002) 1.658 1.992 ( -0.808 -2.947 -0.842) 3.170 1.992 ( -0.808 2.947 -0.842) 3.170 2.121 ( -1.931 -1.736 0.459) 2.637 2.121 ( -1.931 1.736 0.459) 2.637 2.161 ( 0.147 -2.618 1.283) 2.919 2.161 ( 0.147 2.618 1.283) 2.919 2.304 ( -0.115 -1.594 0.142) 1.605 2.304 ( -0.115 1.594 0.142) 1.605 2.395 ( 0.254 -0.961 -0.800) 1.276 2.395 ( 0.254 0.961 -0.800) 1.276 2.472 ( 1.767 -2.002 0.868) 2.808 2.472 ( 1.767 2.002 0.868) 2.808 2.501 ( -0.365 -2.567 -0.538) 2.648 2.501 ( -0.365 2.567 -0.538) 2.648 2.587 ( -2.103 -0.804 -1.137) 2.522 2.587 ( -2.103 0.804 -1.137) 2.522 2.640 ( 1.072 -1.878 1.336) 2.542 2.640 ( 1.072 1.878 1.336) 2.542 2.677 ( 0.664 -3.612 1.194) 3.861 2.677 ( 0.664 3.612 1.194) 3.861 2.738 ( -0.151 -1.549 -1.822) 2.396 2.738 ( -0.151 1.549 -1.822) 2.396 2.767 ( -1.562 -1.294 -0.261) 2.045 2.767 ( -1.562 1.294 -0.261) 2.045 2.838 ( -0.197 -1.664 -0.588) 1.776 2.838 ( -0.197 1.664 -0.588) 1.776 2.871 ( 1.954 -3.581 0.511) 4.111 2.871 ( 1.954 3.581 0.511) 4.111 2.915 ( 0.254 -0.814 -0.234) 0.884 2.915 ( 0.254 0.814 -0.234) 0.884 2.969 ( 0.121 -1.564 0.200) 1.582 2.969 ( 0.121 1.564 0.200) 1.582 3.038 ( -0.826 -2.035 0.198) 2.205 3.038 ( -0.826 2.035 0.198) 2.205 3.077 ( 2.531 -1.381 0.219) 2.891 3.077 ( 2.531 1.381 0.219) 2.891 3.146 ( -0.858 -3.999 -0.770) 4.162 3.146 ( -0.858 3.999 -0.770) 4.162 3.193 ( -0.258 -1.837 0.833) 2.033 3.193 ( -0.258 1.837 0.833) 2.033 3.228 ( -1.522 -3.705 0.459) 4.032 3.228 ( -1.522 3.705 0.459) 4.032 3.283 ( -0.590 -1.485 0.643) 1.722 3.283 ( -0.590 1.485 0.643) 1.722 3.332 ( -0.676 -2.291 -1.026) 2.600 3.332 ( -0.676 2.291 -1.026) 2.600 3.427 ( 1.781 -1.843 0.071) 2.564 3.427 ( 1.781 1.843 0.071) 2.564 3.502 ( -1.334 -0.273 0.364) 1.410 3.502 ( -1.334 0.273 0.364) 1.410 3.777 ( 0.253 -2.171 0.209) 2.195 3.777 ( 0.253 2.171 0.209) 2.195 3.851 ( 1.191 -3.269 0.030) 3.479 3.851 ( 1.191 3.269 0.030) 3.479 3.915 ( 0.661 -0.763 -0.337) 1.064 3.915 ( 0.661 0.763 -0.337) 1.064 3.951 ( 0.949 -0.129 0.283) 0.998 3.951 ( 0.949 0.129 0.283) 0.998 4.034 ( 0.078 -0.829 -1.227) 1.483 4.034 ( 0.078 0.829 -1.227) 1.483 4.120 ( -1.722 -1.359 1.349) 2.575 4.120 ( -1.722 1.359 1.349) 2.575 4.161 ( -2.056 -1.673 -0.057) 2.652 4.161 ( -2.056 1.673 -0.057) 2.652 4.196 ( -0.587 -1.834 -0.828) 2.096 4.196 ( -0.587 1.834 -0.828) 2.096 4.277 ( 2.324 -0.559 -0.021) 2.390 4.277 ( 2.324 0.559 -0.021) 2.390 4.322 ( -0.235 -0.549 -0.296) 0.666 4.322 ( -0.235 0.549 -0.296) 0.666 4.372 ( 0.020 -0.657 1.198) 1.367 4.372 ( 0.020 0.657 1.198) 1.367 4.462 ( -0.648 -2.748 0.201) 2.830 4.462 ( -0.648 2.748 0.201) 2.830 4.511 ( 2.138 -1.572 0.062) 2.655 4.511 ( 2.138 1.573 0.062) 2.655 4.582 ( -1.372 -2.348 -1.612) 3.162 4.582 ( -1.372 2.348 -1.612) 3.162 4.655 ( 0.105 -2.571 0.504) 2.622 4.655 ( 0.105 2.571 0.504) 2.622 4.695 ( 0.949 -1.630 0.250) 1.902 4.695 ( 0.949 1.630 0.250) 1.902 5.359 ( 0.643 -1.209 0.081) 1.372 5.359 ( 0.643 1.209 0.081) 1.372 5.417 ( -0.339 -0.363 -0.200) 0.536 5.417 ( -0.339 0.363 -0.200) 0.536 6.248 ( -0.075 -0.413 0.001) 0.420 6.248 ( -0.075 0.413 0.001) 0.420 6.394 ( 0.059 -0.117 0.048) 0.139 6.394 ( 0.059 0.117 0.048) 0.139 8.726 ( 1.928 -0.865 0.055) 2.113 8.726 ( 1.928 0.865 0.055) 2.113 8.827 ( -0.683 -3.223 0.001) 3.295 8.827 ( -0.683 3.223 0.001) 3.295 12.993 ( -1.035 -0.291 -0.081) 1.078 12.993 ( -1.035 0.291 -0.081) 1.078 13.144 ( 0.362 -0.107 -0.254) 0.455 13.144 ( 0.362 0.107 -0.254) 0.455 13.193 ( 0.188 -0.275 0.081) 0.342 13.193 ( 0.188 0.275 0.081) 0.342 13.224 ( 1.277 -0.621 0.679) 1.574 13.224 ( 1.277 0.621 0.679) 1.574 13.296 ( -0.051 -1.417 -0.702) 1.582 13.296 ( -0.051 1.417 -0.702) 1.582 13.369 ( 0.332 -2.935 -0.488) 2.994 13.369 ( 0.332 2.935 -0.488) 2.994 13.418 ( -0.614 -2.178 0.729) 2.377 13.418 ( -0.614 2.178 0.729) 2.377 13.454 ( -0.660 -3.295 -0.418) 3.387 13.454 ( -0.660 3.295 -0.418) 3.387 13.627 ( -0.843 -2.204 0.474) 2.407 13.627 ( -0.843 2.204 0.474) 2.407 13.813 ( -1.042 -4.930 -0.062) 5.040 13.813 ( -1.042 4.930 -0.062) 5.040 ======================= Grid point 14 (9/42) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 -2.854 0.000) 2.854 0.571 ( 0.000 2.854 0.000) 2.854 0.675 ( 0.000 -0.897 0.000) 0.897 0.675 ( 0.000 0.897 -0.000) 0.897 0.764 ( 0.000 -3.856 -0.000) 3.856 0.764 ( 0.000 3.856 0.000) 3.856 0.886 ( 0.000 -8.311 -0.000) 8.311 0.886 ( 0.000 8.311 0.000) 8.311 1.002 ( 0.000 -6.114 0.000) 6.114 1.002 ( 0.000 6.114 0.000) 6.114 1.106 ( 0.000 -6.890 -0.000) 6.890 1.106 ( 0.000 6.890 0.000) 6.890 1.202 ( 0.000 -0.784 -0.000) 0.784 1.202 ( 0.000 0.784 0.000) 0.784 1.275 ( 0.000 -5.507 0.000) 5.507 1.275 ( 0.000 5.507 0.000) 5.507 1.433 ( 0.000 -9.656 0.000) 9.656 1.433 ( 0.000 9.656 -0.000) 9.656 1.470 ( 0.000 -0.437 -0.000) 0.437 1.470 ( 0.000 0.437 0.000) 0.437 1.494 ( 0.000 -5.465 -0.000) 5.465 1.494 ( 0.000 5.465 -0.000) 5.465 1.684 ( 0.000 -1.125 0.000) 1.125 1.684 ( 0.000 1.125 0.000) 1.125 1.720 ( 0.000 -0.869 0.000) 0.869 1.720 ( 0.000 0.869 -0.000) 0.869 1.839 ( -0.000 -0.792 0.000) 0.792 1.839 ( 0.000 0.792 -0.000) 0.792 1.907 ( 0.000 -0.245 -0.000) 0.245 1.907 ( 0.000 0.245 -0.000) 0.245 1.984 ( 0.000 -1.088 -0.000) 1.088 1.984 ( 0.000 1.088 0.000) 1.088 2.101 ( 0.000 -0.251 -0.000) 0.251 2.101 ( 0.000 0.251 -0.000) 0.251 2.165 ( 0.000 -2.189 -0.000) 2.189 2.165 ( 0.000 2.189 0.000) 2.189 2.306 ( 0.000 -2.085 -0.000) 2.085 2.306 ( 0.000 2.085 0.000) 2.085 2.394 ( 0.000 -1.018 -0.000) 1.018 2.394 ( 0.000 1.018 0.000) 1.018 2.479 ( 0.000 -0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 -1.529 0.000) 1.529 2.519 ( 0.000 1.529 -0.000) 1.529 2.551 ( 0.000 -1.723 -0.000) 1.723 2.551 ( 0.000 1.723 -0.000) 1.723 2.650 ( 0.000 -1.752 0.000) 1.752 2.650 ( 0.000 1.752 0.000) 1.752 2.701 ( -0.000 -2.578 -0.000) 2.578 2.701 ( 0.000 2.578 0.000) 2.578 2.706 ( 0.000 -2.271 0.000) 2.271 2.706 ( -0.000 2.271 -0.000) 2.271 2.769 ( 0.000 -0.536 -0.000) 0.536 2.769 ( 0.000 0.536 -0.000) 0.536 2.835 ( 0.000 -0.416 0.000) 0.416 2.835 ( 0.000 0.416 -0.000) 0.416 2.892 ( 0.000 -2.797 -0.000) 2.797 2.892 ( 0.000 2.797 0.000) 2.797 2.926 ( 0.000 -0.022 -0.000) 0.022 2.926 ( 0.000 0.022 -0.000) 0.022 2.963 ( 0.000 -1.563 0.000) 1.563 2.963 ( 0.000 1.563 0.000) 1.563 3.027 ( 0.000 -3.155 -0.000) 3.155 3.027 ( 0.000 3.155 -0.000) 3.155 3.092 ( 0.000 -4.552 -0.000) 4.552 3.092 ( 0.000 4.552 0.000) 4.552 3.165 ( -0.000 -3.282 0.000) 3.282 3.165 ( 0.000 3.282 0.000) 3.282 3.178 ( -0.000 -2.013 0.000) 2.013 3.178 ( 0.000 2.013 -0.000) 2.013 3.213 ( 0.000 -0.474 0.000) 0.474 3.213 ( 0.000 0.474 -0.000) 0.474 3.273 ( 0.000 -3.240 0.000) 3.240 3.273 ( 0.000 3.240 -0.000) 3.240 3.321 ( 0.000 -2.476 0.000) 2.476 3.321 ( 0.000 2.476 -0.000) 2.476 3.453 ( 0.000 -1.529 0.000) 1.529 3.453 ( 0.000 1.529 -0.000) 1.529 3.484 ( 0.000 -0.191 0.000) 0.191 3.484 ( 0.000 0.191 -0.000) 0.191 3.780 ( 0.000 -2.270 0.000) 2.270 3.780 ( 0.000 2.270 -0.000) 2.270 3.859 ( 0.000 -1.629 -0.000) 1.629 3.859 ( 0.000 1.629 0.000) 1.629 3.922 ( 0.000 -0.379 0.000) 0.379 3.922 ( 0.000 0.379 -0.000) 0.379 3.971 ( 0.000 -2.243 0.000) 2.243 3.971 ( 0.000 2.243 0.000) 2.243 4.038 ( 0.000 -1.920 -0.000) 1.920 4.038 ( 0.000 1.920 -0.000) 1.920 4.090 ( 0.000 -0.627 0.000) 0.627 4.090 ( 0.000 0.627 0.000) 0.627 4.141 ( 0.000 -0.144 0.000) 0.144 4.141 ( 0.000 0.144 -0.000) 0.144 4.192 ( 0.000 -0.923 -0.000) 0.923 4.192 ( 0.000 0.923 0.000) 0.923 4.302 ( 0.000 -0.240 -0.000) 0.240 4.302 ( 0.000 0.240 0.000) 0.240 4.325 ( 0.000 -0.447 0.000) 0.447 4.325 ( 0.000 0.447 -0.000) 0.447 4.365 ( 0.000 -0.171 0.000) 0.171 4.365 ( 0.000 0.171 0.000) 0.171 4.455 ( 0.000 -2.606 0.000) 2.606 4.455 ( 0.000 2.606 0.000) 2.606 4.538 ( 0.000 -1.012 -0.000) 1.012 4.538 ( 0.000 1.012 0.000) 1.012 4.567 ( 0.000 -0.955 -0.000) 0.955 4.567 ( 0.000 0.955 -0.000) 0.955 4.657 ( 0.000 -0.503 0.000) 0.503 4.657 ( 0.000 0.503 0.000) 0.503 4.701 ( 0.000 -1.659 -0.000) 1.659 4.701 ( 0.000 1.659 -0.000) 1.659 5.367 ( 0.000 -1.417 -0.000) 1.417 5.367 ( 0.000 1.417 0.000) 1.417 5.412 ( 0.000 -0.264 -0.000) 0.264 5.412 ( 0.000 0.264 -0.000) 0.264 6.247 ( 0.000 -0.396 0.000) 0.396 6.247 ( 0.000 0.396 0.000) 0.396 6.395 ( 0.000 -0.089 -0.000) 0.089 6.395 ( 0.000 0.089 0.000) 0.089 8.749 ( 0.000 -1.395 -0.000) 1.395 8.749 ( 0.000 1.395 -0.000) 1.395 8.818 ( 0.000 -3.358 0.000) 3.358 8.818 ( 0.000 3.358 -0.000) 3.358 12.982 ( 0.000 -0.169 -0.000) 0.169 12.982 ( 0.000 0.169 0.000) 0.169 13.149 ( 0.000 -0.008 -0.000) 0.008 13.149 ( 0.000 0.008 -0.000) 0.008 13.195 ( 0.000 -0.525 0.000) 0.525 13.195 ( 0.000 0.525 0.000) 0.525 13.241 ( 0.000 -1.213 0.000) 1.213 13.241 ( 0.000 1.213 -0.000) 1.213 13.290 ( 0.000 -0.996 0.000) 0.996 13.290 ( 0.000 0.996 -0.000) 0.996 13.377 ( 0.000 -2.276 0.000) 2.276 13.377 ( 0.000 2.276 -0.000) 2.276 13.407 ( 0.000 -1.944 0.000) 1.944 13.407 ( 0.000 1.944 0.000) 1.944 13.448 ( 0.000 -3.436 -0.000) 3.436 13.448 ( 0.000 3.436 -0.000) 3.436 13.620 ( 0.000 -2.635 -0.000) 2.635 13.620 ( 0.000 2.635 0.000) 2.635 13.800 ( 0.000 -4.806 -0.000) 4.806 13.800 ( 0.000 4.806 -0.000) 4.806 ======================= Grid point 25 (10/42) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -2.298 0.000 13.132) 13.332 0.337 ( 1.666 0.000 16.706) 16.789 0.458 ( -2.237 0.000 22.424) 22.535 0.656 ( 0.725 0.000 5.295) 5.344 0.681 ( -3.942 0.000 4.482) 5.968 0.737 ( 2.966 0.000 -2.671) 3.992 0.809 ( 4.125 0.000 5.089) 6.551 0.866 ( -5.388 0.000 4.937) 7.308 0.958 ( -1.406 0.000 -0.165) 1.416 0.981 ( 3.880 0.000 -3.058) 4.941 1.073 ( 4.338 0.000 0.948) 4.441 1.093 ( 3.333 0.000 0.173) 3.338 1.155 ( -6.409 0.000 0.999) 6.487 1.259 ( -0.666 0.000 2.057) 2.162 1.342 ( -0.140 0.000 -4.477) 4.479 1.351 ( -0.464 0.000 -2.035) 2.087 1.439 ( -1.057 0.000 -0.403) 1.132 1.453 ( 5.425 0.000 -2.114) 5.822 1.506 ( -3.610 0.000 -7.221) 8.073 1.520 ( -0.507 0.000 -4.929) 4.955 1.582 ( 1.765 0.000 0.984) 2.020 1.618 ( -2.282 0.000 -2.016) 3.045 1.620 ( -0.671 0.000 -6.843) 6.876 1.776 ( -2.872 0.000 3.176) 4.283 1.797 ( -1.636 0.000 2.371) 2.880 1.816 ( -0.736 0.000 -3.615) 3.689 1.829 ( -2.328 0.000 -0.619) 2.408 1.923 ( 2.011 0.000 1.611) 2.576 1.966 ( 5.874 0.000 -7.999) 9.924 1.998 ( -1.773 0.000 3.283) 3.731 2.030 ( -2.256 0.000 4.014) 4.605 2.072 ( 5.367 0.000 -4.340) 6.902 2.134 ( 0.544 0.000 4.304) 4.338 2.165 ( 1.889 0.000 1.981) 2.738 2.203 ( -1.422 0.000 2.315) 2.717 2.245 ( 0.232 0.000 1.738) 1.753 2.262 ( -1.458 0.000 0.435) 1.522 2.324 ( -0.851 0.000 -0.114) 0.859 2.370 ( -0.848 0.000 2.166) 2.326 2.396 ( 3.021 0.000 -1.390) 3.326 2.417 ( 1.440 0.000 4.250) 4.488 2.428 ( -0.934 0.000 2.196) 2.387 2.467 ( 0.290 0.000 -0.742) 0.797 2.521 ( -0.229 0.000 -2.080) 2.093 2.542 ( 0.094 0.000 -0.501) 0.509 2.555 ( -1.115 0.000 -1.032) 1.520 2.596 ( -1.575 0.000 2.226) 2.727 2.617 ( 0.105 0.000 0.217) 0.241 2.643 ( -0.542 0.000 -0.050) 0.544 2.675 ( 0.868 0.000 0.087) 0.872 2.695 ( 0.817 0.000 2.146) 2.296 2.733 ( -1.821 0.000 -0.907) 2.035 2.742 ( 0.113 0.000 0.631) 0.641 2.790 ( 2.364 0.000 -2.725) 3.607 2.808 ( 1.587 0.000 0.039) 1.587 2.810 ( -2.039 0.000 -2.106) 2.931 2.867 ( 1.023 0.000 2.524) 2.723 2.873 ( -1.423 0.000 0.400) 1.479 2.888 ( 0.304 0.000 3.148) 3.163 2.929 ( -1.914 0.000 -1.066) 2.191 2.939 ( -3.848 0.000 0.226) 3.854 2.947 ( 2.387 0.000 1.109) 2.632 2.958 ( 3.865 0.000 -1.805) 4.266 3.015 ( 2.920 0.000 2.172) 3.639 3.070 ( -1.428 0.000 -1.340) 1.958 3.106 ( -1.588 0.000 1.653) 2.292 3.123 ( -1.672 0.000 2.083) 2.671 3.153 ( -1.702 0.000 0.273) 1.724 3.203 ( 3.593 0.000 -0.662) 3.653 3.226 ( -0.370 0.000 -2.727) 2.752 3.232 ( -1.664 0.000 -0.961) 1.921 3.263 ( 1.115 0.000 0.028) 1.116 3.300 ( 0.540 0.000 -1.286) 1.395 3.313 ( 0.241 0.000 -2.426) 2.438 3.365 ( -0.245 0.000 -3.054) 3.063 3.389 ( 0.239 0.000 -0.898) 0.929 3.445 ( -1.197 0.000 0.997) 1.558 3.451 ( -1.002 0.000 -2.299) 2.508 3.472 ( 1.462 0.000 -0.335) 1.500 3.585 ( 0.568 0.000 -3.378) 3.426 3.671 ( 1.201 0.000 2.501) 2.774 3.697 ( 0.286 0.000 2.687) 2.702 3.782 ( 0.630 0.000 1.878) 1.981 3.870 ( -0.060 0.000 -0.577) 0.580 3.901 ( 0.392 0.000 1.306) 1.364 3.916 ( 0.560 0.000 0.447) 0.717 3.980 ( 1.115 0.000 0.107) 1.121 3.996 ( -2.022 0.000 0.020) 2.023 4.018 ( -0.573 0.000 -2.822) 2.879 4.050 ( -1.233 0.000 -0.249) 1.257 4.076 ( -0.489 0.000 1.475) 1.554 4.136 ( -0.868 0.000 1.009) 1.331 4.165 ( 0.487 0.000 2.007) 2.066 4.178 ( 1.844 0.000 -1.516) 2.387 4.197 ( 2.393 0.000 2.537) 3.488 4.241 ( 0.205 0.000 1.027) 1.048 4.243 ( -2.467 0.000 -0.172) 2.473 4.318 ( 0.626 0.000 1.985) 2.082 4.327 ( 1.256 0.000 -1.200) 1.737 4.358 ( -0.708 0.000 0.200) 0.736 4.389 ( 0.674 0.000 0.764) 1.019 4.401 ( -0.444 0.000 -0.320) 0.547 4.409 ( -0.197 0.000 2.170) 2.179 4.438 ( -0.585 0.000 -0.122) 0.598 4.501 ( -0.131 0.000 -1.598) 1.603 4.506 ( -0.808 0.000 0.602) 1.007 4.546 ( 0.012 0.000 -0.185) 0.185 4.573 ( -1.580 0.000 -1.079) 1.914 4.576 ( 0.837 0.000 -0.659) 1.065 4.617 ( 0.159 0.000 -2.099) 2.105 4.648 ( -0.179 0.000 -1.792) 1.801 4.711 ( 0.373 0.000 -2.912) 2.936 5.321 ( 0.011 0.000 1.353) 1.353 5.375 ( -0.532 0.000 0.334) 0.628 5.393 ( -0.021 0.000 -0.788) 0.789 5.452 ( 0.246 0.000 -1.427) 1.448 6.239 ( 0.001 0.000 0.400) 0.400 6.259 ( -0.022 0.000 0.187) 0.188 6.399 ( -0.078 0.000 1.086) 1.089 6.403 ( 0.025 0.000 0.895) 0.895 8.700 ( -1.068 0.000 -0.140) 1.077 8.711 ( 0.192 0.000 0.526) 0.559 8.742 ( -0.205 0.000 -0.497) 0.537 8.989 ( 1.459 0.000 -3.990) 4.248 13.034 ( -0.261 0.000 0.743) 0.787 13.115 ( -2.357 0.000 -0.123) 2.360 13.120 ( -0.193 0.000 -0.447) 0.487 13.121 ( -1.382 0.000 -1.797) 2.267 13.168 ( -0.310 0.000 0.435) 0.534 13.177 ( -1.599 0.000 2.408) 2.890 13.192 ( 2.043 0.000 0.885) 2.226 13.201 ( 0.179 0.000 2.202) 2.209 13.215 ( 0.205 0.000 1.926) 1.937 13.237 ( -0.089 0.000 1.410) 1.412 13.290 ( 0.400 0.000 -0.516) 0.654 13.334 ( 2.024 0.000 1.326) 2.419 13.375 ( -0.268 0.000 -1.448) 1.473 13.379 ( -2.056 0.000 3.179) 3.786 13.503 ( 0.081 0.000 -3.599) 3.600 13.522 ( 0.458 0.000 -3.404) 3.434 13.587 ( -0.056 0.000 -2.382) 2.383 13.719 ( -0.446 0.000 -3.002) 3.035 13.748 ( 3.521 0.000 0.252) 3.530 13.937 ( -0.109 0.000 -2.529) 2.532 ======================= Grid point 26 (11/42) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 5.615 0.000 10.483) 11.892 0.417 ( 5.515 0.000 14.220) 15.252 0.579 ( 11.490 0.000 12.269) 16.809 0.582 ( -6.079 0.000 4.016) 7.286 0.685 ( 0.067 0.000 6.801) 6.801 0.741 ( -2.549 0.000 4.437) 5.117 0.802 ( 2.283 0.000 -0.574) 2.354 0.893 ( 0.492 0.000 2.011) 2.071 0.903 ( -2.619 0.000 0.905) 2.771 1.011 ( -3.604 0.000 -2.429) 4.346 1.082 ( 3.742 0.000 -3.302) 4.990 1.112 ( -1.274 0.000 2.311) 2.639 1.186 ( 6.395 0.000 3.375) 7.231 1.200 ( -4.865 0.000 2.512) 5.475 1.327 ( -4.644 0.000 -6.055) 7.631 1.338 ( -0.523 0.000 -2.511) 2.565 1.371 ( -6.249 0.000 0.325) 6.258 1.416 ( 2.371 0.000 -1.972) 3.084 1.479 ( -3.735 0.000 -2.113) 4.291 1.586 ( -1.647 0.000 2.158) 2.715 1.599 ( 3.127 0.000 -3.283) 4.533 1.624 ( 5.453 0.000 -5.467) 7.721 1.638 ( 3.069 0.000 -9.136) 9.638 1.733 ( -2.878 0.000 -2.196) 3.620 1.764 ( 0.948 0.000 0.835) 1.264 1.787 ( -1.236 0.000 -1.224) 1.739 1.837 ( 2.005 0.000 0.159) 2.011 1.935 ( -0.736 0.000 -1.372) 1.557 1.955 ( -4.463 0.000 3.998) 5.992 1.984 ( -0.343 0.000 2.918) 2.938 2.046 ( -1.519 0.000 -0.800) 1.717 2.119 ( -2.225 0.000 1.667) 2.780 2.121 ( 1.985 0.000 2.177) 2.946 2.191 ( 1.864 0.000 0.461) 1.920 2.220 ( -0.407 0.000 3.827) 3.849 2.242 ( 2.695 0.000 -1.267) 2.978 2.255 ( 0.342 0.000 0.605) 0.695 2.338 ( 1.649 0.000 1.793) 2.436 2.383 ( 1.279 0.000 1.631) 2.073 2.402 ( -0.904 0.000 1.475) 1.730 2.439 ( -0.323 0.000 1.615) 1.647 2.444 ( 1.337 0.000 -1.711) 2.172 2.461 ( -0.564 0.000 -0.489) 0.747 2.511 ( -0.989 0.000 -3.404) 3.544 2.526 ( -3.558 0.000 1.666) 3.929 2.533 ( -1.099 0.000 2.505) 2.735 2.563 ( 1.545 0.000 0.360) 1.586 2.605 ( -1.746 0.000 0.944) 1.985 2.631 ( 0.649 0.000 1.750) 1.867 2.682 ( -0.092 0.000 -2.041) 2.043 2.695 ( 0.705 0.000 0.910) 1.151 2.708 ( -1.192 0.000 2.723) 2.973 2.759 ( -1.303 0.000 0.059) 1.305 2.760 ( 0.721 0.000 -2.243) 2.356 2.789 ( -3.618 0.000 -1.244) 3.826 2.810 ( -0.733 0.000 -0.051) 0.735 2.867 ( -0.668 0.000 2.431) 2.521 2.880 ( 1.985 0.000 -0.455) 2.037 2.889 ( -0.440 0.000 1.907) 1.958 2.909 ( 0.862 0.000 0.679) 1.097 2.920 ( 0.044 0.000 -0.127) 0.134 3.001 ( 3.813 0.000 -1.167) 3.988 3.047 ( -1.570 0.000 -2.693) 3.117 3.070 ( 2.288 0.000 -1.693) 2.846 3.074 ( 2.510 0.000 0.328) 2.531 3.076 ( -0.721 0.000 -0.044) 0.722 3.096 ( 1.937 0.000 1.924) 2.730 3.123 ( -2.446 0.000 -2.917) 3.807 3.202 ( -1.062 0.000 -1.652) 1.964 3.241 ( 2.397 0.000 -1.225) 2.692 3.254 ( 0.050 0.000 0.137) 0.146 3.278 ( 0.651 0.000 0.251) 0.698 3.298 ( -0.342 0.000 -0.326) 0.473 3.328 ( -2.583 0.000 -1.536) 3.005 3.329 ( 1.530 0.000 -2.181) 2.664 3.408 ( 1.513 0.000 -0.649) 1.646 3.427 ( -2.125 0.000 -0.642) 2.220 3.432 ( -0.076 0.000 1.258) 1.261 3.501 ( 1.754 0.000 -0.678) 1.880 3.576 ( -1.320 0.000 -2.456) 2.788 3.694 ( -0.604 0.000 1.248) 1.386 3.709 ( 1.947 0.000 1.808) 2.657 3.793 ( 0.341 0.000 0.744) 0.819 3.872 ( 0.254 0.000 -0.606) 0.657 3.901 ( -0.244 0.000 1.798) 1.814 3.926 ( -0.081 0.000 0.468) 0.475 3.965 ( -1.447 0.000 -0.372) 1.494 3.966 ( -0.192 0.000 -1.192) 1.208 4.026 ( -0.941 0.000 0.053) 0.943 4.051 ( 2.655 0.000 -2.087) 3.377 4.067 ( -0.594 0.000 0.263) 0.650 4.124 ( -0.294 0.000 1.084) 1.123 4.151 ( -3.046 0.000 1.884) 3.581 4.183 ( 1.208 0.000 -0.322) 1.250 4.232 ( 0.468 0.000 -2.055) 2.108 4.245 ( -0.229 0.000 2.862) 2.871 4.267 ( 3.667 0.000 0.376) 3.687 4.310 ( -3.454 0.000 3.615) 5.000 4.334 ( 0.103 0.000 3.184) 3.186 4.351 ( 0.648 0.000 -0.109) 0.657 4.376 ( 0.316 0.000 0.278) 0.421 4.382 ( -1.323 0.000 -0.442) 1.395 4.424 ( 2.111 0.000 1.294) 2.476 4.437 ( 0.393 0.000 -1.094) 1.162 4.499 ( -1.510 0.000 0.211) 1.525 4.508 ( 0.878 0.000 -1.719) 1.930 4.543 ( -0.351 0.000 -0.187) 0.398 4.579 ( -0.532 0.000 0.279) 0.600 4.586 ( 1.992 0.000 -4.054) 4.517 4.613 ( -0.507 0.000 -2.052) 2.114 4.651 ( 0.362 0.000 -1.985) 2.018 4.714 ( 0.157 0.000 -3.012) 3.016 5.328 ( 0.562 0.000 1.309) 1.424 5.379 ( 0.791 0.000 -0.380) 0.877 5.389 ( -0.340 0.000 -0.840) 0.906 5.437 ( -1.326 0.000 -0.316) 1.363 6.240 ( 0.091 0.000 0.418) 0.428 6.259 ( 0.002 0.000 0.184) 0.184 6.400 ( 0.077 0.000 1.079) 1.081 6.404 ( -0.050 0.000 0.945) 0.947 8.719 ( 0.575 0.000 0.281) 0.640 8.735 ( -0.444 0.000 -0.244) 0.507 8.756 ( 4.772 0.000 -2.581) 5.425 8.973 ( -2.304 0.000 -4.042) 4.653 13.030 ( -0.196 0.000 0.937) 0.957 13.067 ( -0.521 0.000 2.725) 2.774 13.115 ( -0.281 0.000 -1.196) 1.229 13.127 ( 0.504 0.000 -0.661) 0.832 13.164 ( -0.367 0.000 1.759) 1.796 13.165 ( 0.108 0.000 1.064) 1.070 13.202 ( -0.300 0.000 1.441) 1.472 13.214 ( -0.129 0.000 1.946) 1.950 13.237 ( 0.955 0.000 -0.323) 1.008 13.240 ( 1.890 0.000 0.679) 2.008 13.292 ( -0.197 0.000 0.254) 0.321 13.342 ( -2.723 0.000 -1.682) 3.200 13.346 ( -1.267 0.000 2.443) 2.752 13.378 ( 1.815 0.000 1.635) 2.442 13.524 ( 2.191 0.000 -3.110) 3.804 13.553 ( 2.199 0.000 -0.130) 2.203 13.580 ( -0.183 0.000 -3.215) 3.220 13.680 ( -3.363 0.000 -2.011) 3.918 13.726 ( -2.759 0.000 0.860) 2.890 13.916 ( -1.727 0.000 -2.728) 3.229 ======================= Grid point 27 (12/42) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -5.251 0.000 7.313) 9.003 0.467 ( 7.171 0.000 7.581) 10.435 0.550 ( -6.002 0.000 9.040) 10.851 0.564 ( 5.399 0.000 10.252) 11.587 0.783 ( -2.996 0.000 -0.978) 3.152 0.797 ( -1.726 0.000 -0.600) 1.827 0.799 ( 0.896 0.000 2.483) 2.639 0.812 ( 1.514 0.000 0.265) 1.537 0.939 ( 4.158 0.000 5.592) 6.969 0.951 ( -2.311 0.000 -1.731) 2.887 1.056 ( -0.882 0.000 7.694) 7.744 1.138 ( -3.205 0.000 2.291) 3.939 1.144 ( -7.496 0.000 -5.652) 9.389 1.194 ( 5.812 0.000 -6.430) 8.667 1.283 ( -1.262 0.000 0.470) 1.347 1.341 ( 0.344 0.000 -1.140) 1.191 1.372 ( 7.592 0.000 2.827) 8.102 1.405 ( -2.369 0.000 -0.893) 2.532 1.484 ( 3.352 0.000 -0.446) 3.382 1.528 ( -4.788 0.000 0.297) 4.797 1.636 ( 1.265 0.000 -3.953) 4.150 1.651 ( -1.652 0.000 -6.996) 7.188 1.707 ( 1.889 0.000 -5.739) 6.042 1.739 ( 4.033 0.000 -5.741) 7.016 1.797 ( 2.324 0.000 -0.914) 2.497 1.833 ( 5.920 0.000 -0.672) 5.958 1.863 ( 0.259 0.000 0.486) 0.550 1.890 ( -2.498 0.000 2.855) 3.794 1.923 ( -0.130 0.000 -2.807) 2.809 1.951 ( -5.947 0.000 4.811) 7.649 1.953 ( -3.021 0.000 3.394) 4.544 2.063 ( -2.097 0.000 1.530) 2.596 2.182 ( 1.602 0.000 2.550) 3.011 2.192 ( -1.707 0.000 1.432) 2.229 2.225 ( 0.762 0.000 0.218) 0.793 2.257 ( -0.044 0.000 1.509) 1.510 2.291 ( 0.839 0.000 -0.626) 1.046 2.356 ( 0.177 0.000 4.099) 4.103 2.369 ( -1.568 0.000 0.849) 1.783 2.397 ( -0.028 0.000 1.679) 1.680 2.448 ( -1.489 0.000 1.780) 2.321 2.449 ( -2.078 0.000 1.317) 2.460 2.454 ( 3.006 0.000 1.426) 3.327 2.483 ( -0.242 0.000 1.411) 1.432 2.491 ( -0.472 0.000 -0.367) 0.598 2.532 ( 1.761 0.000 -4.680) 5.000 2.579 ( -0.103 0.000 1.870) 1.873 2.598 ( -0.006 0.000 -1.635) 1.635 2.650 ( 0.999 0.000 1.005) 1.417 2.680 ( -0.022 0.000 0.143) 0.144 2.691 ( -0.857 0.000 1.228) 1.498 2.713 ( 1.412 0.000 1.333) 1.942 2.719 ( -2.921 0.000 -1.847) 3.456 2.758 ( -0.555 0.000 -2.530) 2.591 2.774 ( 2.518 0.000 1.037) 2.723 2.822 ( 2.145 0.000 -2.747) 3.485 2.857 ( -0.682 0.000 0.986) 1.199 2.885 ( -0.329 0.000 2.199) 2.223 2.912 ( 0.330 0.000 1.169) 1.214 2.915 ( -1.768 0.000 0.515) 1.841 2.916 ( 0.993 0.000 1.157) 1.525 2.987 ( -0.686 0.000 2.226) 2.329 3.028 ( -4.174 0.000 -4.519) 6.151 3.052 ( -2.058 0.000 -0.396) 2.096 3.088 ( 2.500 0.000 -3.452) 4.263 3.112 ( 0.873 0.000 -0.072) 0.876 3.135 ( 1.472 0.000 -1.354) 2.000 3.143 ( 4.342 0.000 -3.610) 5.646 3.183 ( -1.528 0.000 0.291) 1.555 3.239 ( -0.344 0.000 -0.752) 0.827 3.267 ( -2.314 0.000 0.364) 2.342 3.279 ( -0.405 0.000 -0.685) 0.796 3.288 ( 1.443 0.000 -0.229) 1.461 3.332 ( 2.142 0.000 1.079) 2.399 3.344 ( -0.229 0.000 -1.555) 1.572 3.371 ( -2.416 0.000 0.251) 2.429 3.420 ( -0.357 0.000 -0.687) 0.774 3.447 ( 1.206 0.000 2.065) 2.392 3.532 ( 0.766 0.000 -0.996) 1.257 3.543 ( -1.213 0.000 -2.074) 2.403 3.683 ( -0.423 0.000 0.531) 0.679 3.717 ( -1.295 0.000 1.259) 1.806 3.797 ( -0.030 0.000 0.888) 0.888 3.875 ( 0.073 0.000 -1.421) 1.422 3.901 ( 0.042 0.000 1.369) 1.370 3.911 ( -0.625 0.000 -1.039) 1.213 3.947 ( -0.406 0.000 0.857) 0.948 4.002 ( 3.087 0.000 0.410) 3.114 4.024 ( 0.751 0.000 0.775) 1.079 4.053 ( -0.769 0.000 -1.817) 1.973 4.083 ( 0.797 0.000 -1.194) 1.436 4.103 ( -1.954 0.000 1.969) 2.774 4.130 ( 0.827 0.000 1.706) 1.896 4.206 ( 1.144 0.000 -0.836) 1.417 4.209 ( -2.911 0.000 3.645) 4.665 4.226 ( -1.028 0.000 -2.646) 2.839 4.284 ( 0.262 0.000 2.749) 2.762 4.319 ( 0.917 0.000 0.563) 1.076 4.325 ( -0.659 0.000 1.575) 1.708 4.360 ( 0.409 0.000 -0.140) 0.432 4.370 ( 0.237 0.000 0.888) 0.919 4.387 ( 0.542 0.000 0.784) 0.954 4.452 ( -2.739 0.000 0.638) 2.813 4.454 ( 1.320 0.000 -1.122) 1.732 4.472 ( 2.249 0.000 0.682) 2.350 4.526 ( 1.128 0.000 -1.708) 2.047 4.532 ( -0.929 0.000 -0.630) 1.123 4.560 ( -1.267 0.000 1.073) 1.660 4.605 ( -0.010 0.000 -2.111) 2.111 4.610 ( 0.761 0.000 -4.504) 4.568 4.658 ( 0.524 0.000 -2.063) 2.129 4.713 ( -0.279 0.000 -3.393) 3.404 5.335 ( -0.091 0.000 1.280) 1.283 5.385 ( 0.080 0.000 -0.917) 0.920 5.398 ( 1.286 0.000 -0.574) 1.408 5.414 ( -1.121 0.000 -0.179) 1.135 6.242 ( -0.011 0.000 0.427) 0.427 6.260 ( 0.013 0.000 0.196) 0.196 6.401 ( 0.002 0.000 1.138) 1.138 6.403 ( -0.069 0.000 0.960) 0.962 8.721 ( -0.465 0.000 -0.556) 0.725 8.734 ( 0.476 0.000 0.619) 0.781 8.825 ( 2.240 0.000 -3.260) 3.955 8.925 ( -2.133 0.000 -3.399) 4.013 13.030 ( 0.230 0.000 1.223) 1.244 13.079 ( 1.162 0.000 1.543) 1.932 13.113 ( 0.179 0.000 -1.557) 1.568 13.143 ( 1.259 0.000 1.162) 1.713 13.160 ( -0.197 0.000 0.951) 0.972 13.172 ( 0.334 0.000 1.928) 1.956 13.193 ( -0.392 0.000 -0.228) 0.453 13.213 ( -0.270 0.000 2.355) 2.370 13.240 ( 0.034 0.000 1.382) 1.382 13.281 ( -0.038 0.000 -0.524) 0.525 13.284 ( -0.534 0.000 1.257) 1.366 13.304 ( 0.935 0.000 -1.747) 1.981 13.330 ( -0.746 0.000 1.565) 1.734 13.401 ( 0.836 0.000 1.554) 1.765 13.551 ( -0.001 0.000 -2.790) 2.790 13.554 ( -0.863 0.000 -2.652) 2.789 13.573 ( -2.362 0.000 1.718) 2.920 13.654 ( 1.192 0.000 -3.357) 3.563 13.687 ( -1.069 0.000 0.162) 1.081 13.896 ( 0.275 0.000 -2.674) 2.688 ======================= Grid point 28 (13/42) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -3.860 0.000 12.507) 13.089 0.396 ( -8.166 0.000 11.074) 13.759 0.580 ( -6.315 0.000 11.538) 13.153 0.658 ( 3.749 0.000 7.105) 8.033 0.670 ( -2.405 0.000 4.913) 5.470 0.720 ( 0.541 0.000 5.913) 5.938 0.762 ( -2.351 0.000 -2.067) 3.130 0.910 ( 3.313 0.000 1.843) 3.791 0.933 ( 0.890 0.000 -3.996) 4.094 0.971 ( 0.918 0.000 -0.361) 0.987 1.040 ( -1.867 0.000 -0.583) 1.956 1.048 ( -3.397 0.000 2.300) 4.102 1.190 ( 8.285 0.000 5.344) 9.859 1.239 ( -1.910 0.000 -2.866) 3.444 1.328 ( 5.050 0.000 -3.075) 5.912 1.350 ( 0.647 0.000 -0.840) 1.061 1.386 ( -0.181 0.000 0.357) 0.400 1.426 ( -2.786 0.000 -3.908) 4.800 1.505 ( 3.742 0.000 -0.669) 3.802 1.541 ( 2.643 0.000 0.474) 2.685 1.610 ( -4.235 0.000 -4.716) 6.338 1.627 ( -0.218 0.000 -6.712) 6.716 1.681 ( -3.546 0.000 -4.816) 5.980 1.798 ( 1.863 0.000 -0.733) 2.002 1.828 ( -3.446 0.000 5.270) 6.297 1.852 ( -2.450 0.000 -1.736) 3.002 1.854 ( 1.598 0.000 1.842) 2.439 1.883 ( -0.470 0.000 1.574) 1.642 1.897 ( 1.727 0.000 -4.881) 5.177 1.966 ( 6.996 0.000 -0.145) 6.998 1.977 ( 4.062 0.000 -5.536) 6.866 2.037 ( -1.588 0.000 3.108) 3.490 2.156 ( -2.121 0.000 2.759) 3.480 2.172 ( -2.199 0.000 4.652) 5.145 2.221 ( -0.785 0.000 0.747) 1.084 2.252 ( -0.642 0.000 2.004) 2.104 2.274 ( -0.893 0.000 -0.160) 0.907 2.355 ( -0.739 0.000 0.998) 1.242 2.371 ( -1.733 0.000 1.070) 2.036 2.381 ( 1.787 0.000 3.942) 4.328 2.414 ( -2.578 0.000 1.259) 2.868 2.431 ( 0.371 0.000 2.496) 2.524 2.477 ( -0.999 0.000 0.266) 1.033 2.513 ( 2.218 0.000 0.390) 2.252 2.525 ( 3.673 0.000 -1.300) 3.896 2.554 ( 0.432 0.000 -1.016) 1.104 2.568 ( -0.321 0.000 0.834) 0.893 2.601 ( 1.382 0.000 -2.838) 3.157 2.648 ( -1.226 0.000 3.412) 3.626 2.673 ( -0.503 0.000 -1.178) 1.281 2.690 ( 0.508 0.000 1.659) 1.735 2.724 ( 3.049 0.000 -2.216) 3.769 2.735 ( -0.189 0.000 0.682) 0.708 2.759 ( 2.120 0.000 -0.866) 2.290 2.806 ( -3.889 0.000 -1.157) 4.058 2.828 ( 2.203 0.000 0.288) 2.222 2.861 ( 0.209 0.000 0.779) 0.806 2.884 ( 0.821 0.000 2.593) 2.720 2.903 ( -0.498 0.000 2.346) 2.398 2.906 ( 1.786 0.000 -1.950) 2.644 2.935 ( -4.003 0.000 -4.723) 6.191 2.951 ( 1.387 0.000 0.823) 1.613 2.999 ( -0.616 0.000 1.352) 1.486 3.006 ( -2.476 0.000 0.352) 2.501 3.103 ( -2.004 0.000 -0.241) 2.018 3.118 ( 0.349 0.000 -0.538) 0.641 3.129 ( 0.027 0.000 1.994) 1.994 3.178 ( 0.464 0.000 -1.654) 1.718 3.190 ( -1.128 0.000 -0.070) 1.130 3.238 ( 0.016 0.000 -1.610) 1.610 3.243 ( 0.336 0.000 -1.372) 1.412 3.265 ( -1.070 0.000 -1.565) 1.896 3.292 ( -1.333 0.000 -0.252) 1.356 3.324 ( -1.334 0.000 -1.936) 2.351 3.331 ( 2.889 0.000 -2.524) 3.836 3.402 ( -1.294 0.000 -0.772) 1.507 3.422 ( 3.587 0.000 -0.606) 3.638 3.459 ( -0.102 0.000 1.601) 1.604 3.494 ( -2.560 0.000 -1.009) 2.752 3.565 ( 1.483 0.000 -2.551) 2.951 3.680 ( -2.017 0.000 1.475) 2.499 3.685 ( 0.570 0.000 1.948) 2.030 3.787 ( -1.004 0.000 1.455) 1.768 3.873 ( -0.176 0.000 -1.308) 1.320 3.898 ( -0.282 0.000 1.555) 1.580 3.908 ( 0.228 0.000 -0.340) 0.409 3.955 ( 1.126 0.000 0.496) 1.230 4.024 ( -0.644 0.000 0.139) 0.659 4.038 ( -0.870 0.000 -2.885) 3.014 4.055 ( 0.840 0.000 1.533) 1.748 4.085 ( -0.417 0.000 0.490) 0.644 4.110 ( 3.360 0.000 1.312) 3.607 4.143 ( 0.236 0.000 1.644) 1.661 4.168 ( -1.161 0.000 2.508) 2.764 4.199 ( -1.361 0.000 -2.223) 2.606 4.230 ( 1.095 0.000 0.229) 1.119 4.295 ( -2.566 0.000 0.263) 2.579 4.300 ( 1.334 0.000 1.579) 2.067 4.315 ( -0.283 0.000 1.932) 1.953 4.368 ( -0.430 0.000 0.723) 0.841 4.390 ( -0.702 0.000 -0.579) 0.910 4.390 ( 1.605 0.000 -0.357) 1.645 4.407 ( -1.046 0.000 1.971) 2.231 4.458 ( -1.081 0.000 0.257) 1.112 4.507 ( 1.128 0.000 1.288) 1.712 4.513 ( -0.961 0.000 -1.385) 1.686 4.542 ( 0.510 0.000 -0.891) 1.027 4.556 ( 1.013 0.000 -0.224) 1.038 4.609 ( -0.800 0.000 -4.258) 4.333 4.611 ( 0.555 0.000 -2.122) 2.193 4.662 ( -0.520 0.000 -2.029) 2.094 4.705 ( 0.045 0.000 -3.309) 3.310 5.327 ( -0.606 0.000 1.282) 1.418 5.390 ( 0.362 0.000 -0.825) 0.900 5.393 ( -1.132 0.000 0.006) 1.132 5.427 ( 1.847 0.000 -0.734) 1.987 6.240 ( -0.118 0.000 0.403) 0.420 6.260 ( -0.011 0.000 0.199) 0.200 6.400 ( -0.107 0.000 1.138) 1.143 6.403 ( 0.006 0.000 0.909) 0.909 8.712 ( -0.357 0.000 0.149) 0.387 8.742 ( 0.225 0.000 -0.094) 0.244 8.790 ( -5.468 0.000 -5.442) 7.714 8.938 ( 3.114 0.000 -1.213) 3.342 13.035 ( 0.134 0.000 1.009) 1.018 13.100 ( 1.129 0.000 -0.465) 1.221 13.120 ( 0.396 0.000 -0.783) 0.878 13.155 ( -0.361 0.000 -0.188) 0.407 13.167 ( 0.952 0.000 2.146) 2.348 13.170 ( -0.179 0.000 0.860) 0.879 13.200 ( 0.568 0.000 1.044) 1.189 13.206 ( -0.220 0.000 1.920) 1.932 13.237 ( -1.224 0.000 0.074) 1.226 13.243 ( -2.381 0.000 0.045) 2.382 13.281 ( 0.250 0.000 0.932) 0.965 13.320 ( -0.264 0.000 1.292) 1.319 13.355 ( 2.471 0.000 -0.951) 2.648 13.406 ( -0.664 0.000 2.166) 2.265 13.523 ( -1.971 0.000 -3.315) 3.857 13.532 ( -1.072 0.000 -3.754) 3.905 13.563 ( 2.247 0.000 1.224) 2.559 13.658 ( 1.188 0.000 2.892) 3.126 13.708 ( 1.760 0.000 -2.692) 3.216 13.920 ( 1.808 0.000 -2.459) 3.052 ======================= Grid point 29 (14/42) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -5.397 8.991 8.870) 13.735 0.424 ( 3.444 9.186 9.482) 13.643 0.614 ( 1.862 3.823 10.136) 10.991 0.715 ( 0.271 1.328 1.000) 1.684 0.760 ( -3.682 4.334 3.327) 6.589 0.817 ( 0.746 9.920 6.493) 11.880 0.832 ( -0.469 5.615 2.035) 5.991 0.907 ( 0.965 -1.568 2.895) 3.431 0.932 ( -0.644 -3.829 1.149) 4.049 0.996 ( -2.447 3.696 -3.054) 5.383 1.022 ( 5.407 0.608 4.266) 6.914 1.086 ( 0.081 0.770 -1.916) 2.067 1.165 ( 1.229 0.730 -0.193) 1.443 1.210 ( -2.544 -3.015 2.530) 4.687 1.308 ( 0.192 -2.352 -1.410) 2.749 1.351 ( 1.597 -4.158 -6.072) 7.531 1.411 ( -1.451 2.440 -3.363) 4.401 1.419 ( 0.806 -2.701 -0.112) 2.821 1.507 ( -0.514 -1.765 -5.053) 5.377 1.521 ( -2.927 -6.605 -3.064) 7.848 1.567 ( 0.340 -4.600 -4.323) 6.322 1.602 ( -0.207 5.243 -5.500) 7.601 1.624 ( 1.692 1.948 1.309) 2.893 1.686 ( -2.061 -6.322 0.888) 6.709 1.782 ( -1.759 -0.325 0.561) 1.875 1.805 ( 0.204 -1.372 3.183) 3.472 1.834 ( -1.547 -3.244 -0.870) 3.697 1.846 ( 1.248 -3.909 -2.218) 4.665 1.865 ( 1.132 -5.084 0.391) 5.223 1.977 ( 1.330 -3.723 0.013) 3.954 2.037 ( -1.054 -0.018 4.403) 4.528 2.050 ( 0.676 0.030 -1.937) 2.052 2.104 ( 1.682 -1.766 1.908) 3.096 2.175 ( 1.215 -1.193 -0.994) 1.971 2.186 ( -0.519 -0.924 4.091) 4.226 2.267 ( 0.431 -1.280 2.237) 2.613 2.273 ( -0.010 4.030 1.157) 4.192 2.364 ( 1.312 -1.311 1.232) 2.226 2.394 ( -0.578 0.179 0.827) 1.025 2.409 ( -0.771 -0.134 0.804) 1.123 2.411 ( -0.700 2.642 0.292) 2.749 2.445 ( -0.486 1.660 3.133) 3.579 2.448 ( 0.266 1.935 0.809) 2.114 2.543 ( -0.244 1.926 1.572) 2.498 2.554 ( 0.156 0.630 -2.038) 2.139 2.587 ( 0.984 2.494 -1.413) 3.030 2.601 ( -0.705 0.228 1.020) 1.261 2.643 ( 0.834 2.533 1.291) 2.963 2.670 ( 0.516 -0.389 3.294) 3.357 2.686 ( -1.349 2.768 -0.900) 3.208 2.700 ( -0.299 0.107 -0.519) 0.608 2.720 ( -0.919 1.669 0.650) 2.014 2.767 ( -0.822 2.290 0.575) 2.500 2.786 ( 1.140 -0.762 -0.064) 1.372 2.811 ( 1.583 0.348 -1.275) 2.062 2.825 ( 1.277 0.983 -0.506) 1.689 2.873 ( -1.902 -1.055 -1.849) 2.855 2.878 ( -0.602 -0.284 1.740) 1.863 2.896 ( -0.454 0.572 0.463) 0.864 2.924 ( -3.214 -0.416 -1.032) 3.401 2.939 ( -0.517 -0.243 0.067) 0.575 2.972 ( 2.420 -0.765 -1.392) 2.895 2.996 ( 0.434 2.065 -0.218) 2.121 3.013 ( 1.564 2.342 -2.739) 3.928 3.068 ( 0.347 -1.320 0.049) 1.365 3.079 ( 0.797 -0.837 0.337) 1.204 3.106 ( -0.718 -1.217 0.068) 1.415 3.150 ( -0.690 0.061 1.550) 1.698 3.191 ( 0.212 -1.124 -0.505) 1.250 3.222 ( -1.728 -0.831 -0.606) 2.011 3.242 ( 1.295 0.894 -1.793) 2.385 3.257 ( 0.606 -0.360 -0.603) 0.928 3.281 ( 0.033 -2.075 -1.013) 2.309 3.294 ( -0.661 0.501 -0.636) 1.045 3.340 ( -0.001 -2.135 -1.475) 2.595 3.362 ( 0.858 -1.896 -1.314) 2.461 3.432 ( -0.012 -1.297 0.864) 1.558 3.454 ( 0.790 -1.041 -2.017) 2.403 3.488 ( -0.542 1.355 -0.449) 1.527 3.538 ( 0.537 -3.083 -0.729) 3.213 3.709 ( 0.153 3.259 1.117) 3.449 3.737 ( 0.890 3.329 1.242) 3.663 3.789 ( -0.179 0.599 1.032) 1.207 3.866 ( 0.025 -1.080 -1.748) 2.055 3.912 ( 0.080 1.344 1.924) 2.349 3.931 ( 0.325 0.826 1.123) 1.432 3.966 ( 0.212 -1.385 1.384) 1.969 3.979 ( -0.951 -0.762 0.872) 1.498 4.011 ( -0.312 -0.480 -2.323) 2.393 4.046 ( -1.217 -0.666 -1.170) 1.814 4.113 ( -0.740 2.597 1.127) 2.926 4.149 ( -0.680 0.923 1.379) 1.793 4.159 ( 1.441 0.958 1.690) 2.418 4.193 ( 1.043 1.126 -0.963) 1.812 4.214 ( -0.369 -0.993 0.623) 1.229 4.233 ( 1.348 1.293 2.415) 3.053 4.260 ( -0.595 0.099 0.235) 0.647 4.289 ( -0.323 -3.192 2.745) 4.223 4.309 ( -0.491 -0.111 -0.235) 0.556 4.348 ( 0.654 0.823 0.661) 1.242 4.360 ( 0.761 -1.261 0.074) 1.475 4.404 ( 1.009 -0.763 1.593) 2.034 4.424 ( -0.072 1.428 -0.255) 1.452 4.455 ( -0.074 1.319 0.092) 1.324 4.487 ( -0.527 -0.068 -1.537) 1.626 4.511 ( -1.508 -1.009 -0.905) 2.028 4.533 ( -1.513 -0.226 -1.064) 1.863 4.564 ( 0.531 0.426 -3.136) 3.209 4.614 ( -0.417 0.225 -1.400) 1.478 4.640 ( 0.991 0.528 -2.550) 2.786 4.668 ( -0.126 1.154 -2.329) 2.603 4.693 ( 0.347 -1.446 -2.124) 2.593 5.336 ( 0.102 1.104 0.728) 1.326 5.370 ( -0.272 -0.451 0.357) 0.636 5.400 ( -0.122 0.550 -0.835) 1.008 5.431 ( 0.018 -1.218 -0.500) 1.317 6.243 ( -0.011 0.397 0.365) 0.539 6.258 ( -0.012 -0.164 0.221) 0.276 6.399 ( 0.014 0.119 0.996) 1.003 6.404 ( 0.024 -0.004 0.875) 0.875 8.700 ( -0.255 0.090 -0.031) 0.272 8.709 ( 0.168 -0.199 0.206) 0.332 8.769 ( -0.246 2.341 -0.803) 2.488 8.915 ( 0.572 -4.778 -0.823) 4.882 13.025 ( -0.092 -0.420 1.288) 1.358 13.064 ( -0.387 -2.346 2.563) 3.496 13.126 ( -0.493 0.639 -0.776) 1.120 13.134 ( -0.639 0.432 -0.626) 0.994 13.189 ( -0.358 2.096 0.673) 2.230 13.198 ( 0.827 0.563 1.296) 1.637 13.209 ( 0.138 1.059 1.724) 2.028 13.225 ( 0.223 0.748 1.575) 1.758 13.241 ( -0.335 1.155 -0.102) 1.207 13.284 ( -1.180 2.431 -1.582) 3.131 13.323 ( 0.979 2.491 -0.936) 2.835 13.340 ( 0.954 0.469 -0.064) 1.065 13.381 ( 0.147 1.048 -1.493) 1.830 13.398 ( -2.245 1.901 2.298) 3.733 13.475 ( 0.452 -2.240 -3.007) 3.777 13.526 ( 0.437 -0.170 -2.576) 2.619 13.605 ( -0.330 0.908 -3.086) 3.233 13.652 ( 1.496 -5.225 1.214) 5.569 13.730 ( 0.419 0.962 -2.082) 2.332 13.895 ( -0.069 -3.943 -2.568) 4.706 ======================= Grid point 30 (15/42) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 4.123 8.089 4.772) 10.257 0.559 ( 7.915 5.294 4.968) 10.740 0.643 ( -3.568 4.929 7.464) 9.630 0.690 ( 2.109 8.029 5.081) 9.732 0.747 ( 1.659 0.427 1.963) 2.605 0.810 ( 0.507 -1.183 3.936) 4.141 0.852 ( -0.555 6.987 3.528) 7.847 0.878 ( -0.768 6.183 6.658) 9.119 0.924 ( -3.635 -0.893 -1.476) 4.023 0.994 ( 3.897 0.308 -1.960) 4.373 1.056 ( -2.874 2.394 -2.102) 4.290 1.133 ( 4.426 -3.916 3.635) 6.938 1.163 ( -0.534 -1.040 -0.181) 1.183 1.181 ( -0.666 0.616 1.131) 1.450 1.271 ( -4.485 -2.183 -2.123) 5.421 1.324 ( -1.999 -0.812 -3.296) 3.939 1.395 ( -3.558 -2.734 0.058) 4.488 1.411 ( 1.027 2.270 -4.431) 5.084 1.466 ( -0.728 -2.631 -2.559) 3.742 1.508 ( -0.151 -4.226 -3.287) 5.356 1.590 ( 2.167 -5.005 -4.528) 7.089 1.626 ( 0.346 -2.031 -4.018) 4.515 1.656 ( 2.037 -1.601 -0.248) 2.603 1.666 ( 0.772 2.956 -1.665) 3.479 1.741 ( -1.380 -0.416 0.016) 1.441 1.777 ( -1.805 -3.848 -0.845) 4.333 1.825 ( 0.870 -0.410 3.605) 3.731 1.888 ( 1.171 -5.901 -0.017) 6.016 1.890 ( 1.337 -3.508 -1.445) 4.023 1.979 ( -2.516 0.856 2.789) 3.852 2.000 ( 0.105 -2.899 2.298) 3.700 2.053 ( -2.325 -2.674 0.270) 3.554 2.141 ( 0.778 -2.519 1.679) 3.126 2.156 ( 0.120 -3.129 0.257) 3.142 2.196 ( -0.419 1.641 3.858) 4.213 2.252 ( -1.123 0.241 1.248) 1.696 2.291 ( 1.517 1.967 1.998) 3.188 2.381 ( 0.655 -2.164 0.128) 2.265 2.386 ( -0.982 0.515 1.291) 1.702 2.405 ( 1.161 0.116 1.012) 1.545 2.428 ( 0.223 2.465 1.953) 3.153 2.447 ( 1.698 2.123 1.766) 3.242 2.471 ( 1.546 0.878 -0.168) 1.786 2.524 ( -1.714 1.299 0.883) 2.325 2.538 ( -1.930 1.202 0.303) 2.294 2.575 ( -1.294 0.926 -0.340) 1.627 2.598 ( 0.001 3.797 -2.796) 4.715 2.643 ( -0.583 3.600 -0.462) 3.676 2.670 ( -0.342 0.855 0.424) 1.014 2.682 ( 1.067 -0.848 3.251) 3.525 2.708 ( 0.406 -0.729 0.623) 1.042 2.719 ( 1.114 3.669 0.337) 3.849 2.743 ( -1.228 2.758 0.913) 3.154 2.793 ( -2.156 -0.372 0.179) 2.195 2.810 ( -1.848 -0.782 -2.107) 2.909 2.827 ( -0.181 1.584 -0.705) 1.743 2.834 ( 0.100 -0.663 -0.818) 1.058 2.867 ( -0.452 -0.588 1.178) 1.392 2.882 ( -0.260 0.074 0.269) 0.381 2.914 ( 0.959 0.560 0.079) 1.114 2.955 ( 1.724 0.741 -2.139) 2.845 2.987 ( -0.526 0.381 -2.475) 2.559 3.027 ( 1.490 -2.610 0.288) 3.019 3.048 ( 1.275 -0.861 -1.322) 2.028 3.067 ( 1.386 -0.919 -2.470) 2.978 3.085 ( -0.818 -0.630 1.106) 1.513 3.123 ( 2.162 3.589 1.142) 4.343 3.129 ( -1.515 0.892 0.118) 1.762 3.196 ( -0.810 -0.566 -1.494) 1.791 3.203 ( 0.762 -4.555 -1.553) 4.872 3.239 ( -0.954 -1.108 0.166) 1.472 3.258 ( 0.097 -0.042 -2.313) 2.316 3.270 ( -1.539 -0.124 1.076) 1.882 3.306 ( 1.234 -1.415 -1.098) 2.175 3.330 ( -0.542 -1.320 0.513) 1.516 3.391 ( 1.941 -1.047 -0.884) 2.376 3.431 ( -0.428 -1.305 1.262) 1.865 3.459 ( -0.764 0.374 -0.603) 1.043 3.484 ( 0.712 -0.090 -0.667) 0.980 3.533 ( -1.007 -3.143 -0.753) 3.385 3.717 ( 0.118 2.662 0.608) 2.733 3.756 ( 1.107 3.645 0.347) 3.825 3.800 ( 0.928 0.269 0.605) 1.140 3.865 ( -0.126 -1.252 -1.841) 2.230 3.913 ( 0.136 1.036 1.463) 1.798 3.932 ( -0.403 0.362 1.090) 1.217 3.962 ( -0.702 -0.077 0.674) 0.976 3.972 ( 0.771 0.485 -0.220) 0.937 4.024 ( -0.744 -0.139 -0.265) 0.801 4.033 ( 2.338 -1.494 -0.477) 2.815 4.093 ( -0.984 2.345 -0.284) 2.559 4.140 ( -0.412 0.908 0.999) 1.411 4.157 ( -2.093 0.118 0.584) 2.177 4.183 ( -0.403 1.165 2.172) 2.498 4.231 ( 0.232 -0.880 2.294) 2.468 4.245 ( -0.751 -2.262 1.017) 2.591 4.269 ( 0.670 0.262 1.039) 1.263 4.286 ( 1.816 0.179 0.745) 1.971 4.315 ( 0.891 -0.786 0.863) 1.469 4.343 ( -0.799 -0.571 1.209) 1.558 4.373 ( -0.566 0.091 -0.554) 0.797 4.398 ( -1.546 0.123 0.453) 1.615 4.428 ( 1.148 1.090 0.252) 1.602 4.454 ( -0.937 1.190 -2.880) 3.254 4.475 ( 0.976 1.518 -0.516) 1.877 4.506 ( 0.224 -1.667 -0.697) 1.821 4.531 ( 1.266 -1.080 -0.510) 1.741 4.569 ( 0.560 -1.585 -3.728) 4.089 4.606 ( -0.563 1.601 0.404) 1.744 4.654 ( 0.408 1.234 -2.642) 2.944 4.665 ( -0.801 1.617 -2.840) 3.365 4.698 ( 0.674 -1.473 -2.139) 2.683 5.343 ( 0.452 1.118 0.835) 1.467 5.377 ( 0.837 -0.292 -0.208) 0.911 5.394 ( -0.323 0.474 -0.885) 1.055 5.422 ( -0.824 -0.997 -0.281) 1.324 6.244 ( 0.040 0.337 0.399) 0.524 6.258 ( -0.028 -0.181 0.235) 0.298 6.401 ( 0.081 0.143 0.997) 1.010 6.404 ( -0.005 0.037 0.909) 0.910 8.719 ( 0.788 0.036 0.035) 0.790 8.738 ( 2.834 -0.742 -0.810) 3.040 8.763 ( 0.066 1.890 -0.899) 2.094 8.908 ( -1.184 -4.748 -1.688) 5.177 13.014 ( -0.802 -0.827 1.087) 1.584 13.043 ( -1.245 -1.727 2.446) 3.243 13.131 ( 0.749 0.720 -0.349) 1.096 13.135 ( 0.516 0.767 -0.425) 1.017 13.190 ( 0.184 2.094 1.074) 2.361 13.199 ( -0.188 1.684 1.060) 1.999 13.221 ( 0.703 0.538 1.353) 1.617 13.238 ( -0.112 0.885 0.504) 1.024 13.248 ( 2.232 0.617 -0.711) 2.422 13.261 ( -1.124 2.896 0.306) 3.122 13.335 ( -0.299 2.837 -0.123) 2.856 13.340 ( -0.957 0.815 -1.625) 2.054 13.363 ( -1.399 1.951 3.072) 3.899 13.388 ( 0.684 1.013 -0.704) 1.411 13.490 ( 1.427 -3.151 -2.771) 4.432 13.542 ( 0.930 -1.690 0.730) 2.063 13.584 ( -1.382 -0.270 -2.487) 2.859 13.649 ( -0.827 -2.193 -1.514) 2.790 13.717 ( -1.528 0.917 -1.429) 2.284 13.877 ( -1.466 -3.670 -2.741) 4.810 ======================= Grid point 31 (16/42) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 3.226 4.122 4.737) 7.059 0.540 ( -2.758 6.471 2.796) 7.570 0.662 ( 2.095 10.040 4.824) 11.334 0.715 ( -4.053 -1.674 0.709) 4.443 0.776 ( 2.550 3.131 5.412) 6.753 0.808 ( -4.150 -0.891 3.938) 5.789 0.858 ( 3.919 4.578 2.714) 6.610 0.871 ( -0.453 5.522 -1.817) 5.831 0.920 ( 1.391 2.187 4.169) 4.910 0.981 ( -1.652 -0.025 -0.225) 1.668 1.079 ( 1.603 3.259 1.985) 4.139 1.103 ( -3.458 -0.035 1.618) 3.818 1.152 ( -2.832 -4.183 -0.464) 5.073 1.162 ( 0.704 -0.122 -4.937) 4.988 1.238 ( -0.902 -1.001 -0.961) 1.655 1.309 ( 1.870 0.253 -1.868) 2.656 1.390 ( 4.017 -1.180 0.335) 4.200 1.426 ( -0.906 -0.274 -1.360) 1.657 1.472 ( 2.876 -0.387 -0.058) 2.903 1.490 ( -1.912 -3.165 -0.934) 3.814 1.598 ( -1.436 -4.195 -4.922) 6.625 1.638 ( 1.989 -6.719 -4.676) 8.424 1.658 ( -1.492 1.174 -2.374) 3.040 1.702 ( 1.777 -2.583 -2.583) 4.062 1.748 ( 1.542 -3.944 0.015) 4.235 1.780 ( 1.157 -3.811 0.467) 4.010 1.843 ( 1.562 -1.139 1.421) 2.399 1.879 ( -0.922 -1.762 1.141) 2.292 1.921 ( 1.006 -0.117 0.320) 1.063 1.939 ( -1.844 0.705 -0.060) 1.975 1.960 ( -4.276 -1.706 3.381) 5.712 2.013 ( -0.408 -1.275 0.011) 1.339 2.126 ( -0.354 -2.967 1.491) 3.340 2.181 ( -1.252 -1.710 4.437) 4.917 2.200 ( 1.665 -2.059 2.279) 3.494 2.244 ( 0.084 -0.186 1.384) 1.399 2.303 ( -0.592 0.555 1.285) 1.520 2.369 ( -0.212 1.577 1.179) 1.981 2.397 ( 0.231 -2.724 1.993) 3.383 2.420 ( -0.392 -0.673 0.752) 1.083 2.445 ( 1.790 -0.219 0.228) 1.818 2.473 ( -1.264 2.710 2.287) 3.765 2.476 ( 1.192 6.354 2.480) 6.924 2.486 ( -1.225 0.535 -0.142) 1.344 2.518 ( 0.013 1.540 0.169) 1.550 2.559 ( -0.516 2.432 -1.580) 2.945 2.599 ( 0.592 1.663 -1.296) 2.190 2.621 ( -1.232 2.512 0.690) 2.881 2.687 ( 0.628 0.984 -0.223) 1.189 2.699 ( 0.797 1.619 1.973) 2.673 2.711 ( -0.210 -1.000 -1.117) 1.514 2.732 ( -0.318 2.999 1.565) 3.398 2.736 ( 0.421 1.756 -0.090) 1.808 2.752 ( -0.343 1.220 -2.340) 2.661 2.800 ( -0.145 -0.005 -1.424) 1.431 2.828 ( 2.110 -0.846 -2.400) 3.306 2.857 ( -0.440 -1.902 -0.641) 2.055 2.860 ( 1.339 0.830 0.277) 1.599 2.885 ( 0.071 0.859 1.382) 1.628 2.928 ( 0.913 2.268 -0.315) 2.465 2.946 ( -2.613 -1.405 0.119) 2.969 2.979 ( 0.009 0.775 -1.153) 1.389 3.021 ( -1.384 -1.533 -0.032) 2.065 3.055 ( -1.748 0.082 -2.307) 2.895 3.067 ( -0.274 -0.353 -1.475) 1.541 3.106 ( 1.093 -2.726 0.019) 2.937 3.116 ( 2.053 1.023 -3.272) 3.996 3.167 ( 0.890 1.887 1.615) 2.639 3.189 ( -0.474 -0.612 1.169) 1.402 3.197 ( 0.119 -1.931 -2.017) 2.795 3.228 ( -0.896 -2.725 -1.844) 3.410 3.249 ( 1.032 -1.852 0.433) 2.164 3.276 ( -0.164 -1.553 -0.752) 1.733 3.310 ( 0.125 -1.675 2.200) 2.768 3.324 ( -0.096 -0.118 0.288) 0.326 3.403 ( -1.782 -1.578 -0.065) 2.381 3.418 ( 0.026 0.527 -0.753) 0.919 3.448 ( 0.122 0.946 -0.038) 0.955 3.503 ( 0.669 -2.604 -0.101) 2.690 3.513 ( -0.598 -1.996 -0.296) 2.104 3.715 ( -0.092 3.022 -0.151) 3.027 3.758 ( -1.102 3.237 -0.298) 3.433 3.812 ( 0.181 1.083 0.853) 1.390 3.863 ( 0.169 -1.477 -1.829) 2.357 3.915 ( -0.118 0.987 0.626) 1.175 3.928 ( -0.027 1.218 0.523) 1.326 3.948 ( -0.308 0.529 0.707) 0.936 4.008 ( 1.682 -0.003 -0.207) 1.695 4.026 ( 1.876 0.276 1.526) 2.434 4.050 ( -0.927 -0.055 -0.725) 1.178 4.084 ( -1.061 0.649 -0.241) 1.266 4.125 ( 0.529 0.753 1.819) 2.039 4.141 ( 0.171 0.867 1.510) 1.750 4.183 ( -0.870 -1.489 3.057) 3.509 4.193 ( -1.041 -0.629 0.359) 1.269 4.255 ( 0.763 -0.934 1.089) 1.625 4.276 ( -0.671 1.842 -0.566) 2.041 4.322 ( 0.701 0.206 0.540) 0.908 4.326 ( -0.721 -0.468 0.892) 1.239 4.337 ( 1.010 -1.004 1.609) 2.149 4.352 ( -0.742 -1.191 -0.865) 1.649 4.377 ( -0.490 -0.652 0.227) 0.846 4.419 ( -1.174 -0.775 -0.664) 1.556 4.474 ( 1.502 2.197 -1.450) 3.031 4.488 ( 0.478 -0.576 -0.175) 0.768 4.518 ( 1.233 -0.068 -1.084) 1.644 4.545 ( 0.145 -0.098 -0.842) 0.860 4.570 ( -1.055 -0.863 -0.942) 1.657 4.611 ( 1.455 1.656 -2.229) 3.135 4.634 ( -1.381 1.612 -3.165) 3.811 4.661 ( 0.200 0.359 -1.563) 1.616 4.707 ( 0.095 -0.689 -2.638) 2.728 5.347 ( -0.138 1.078 0.923) 1.426 5.388 ( 0.107 -0.014 -0.604) 0.614 5.398 ( 0.799 -0.068 -0.506) 0.948 5.407 ( -0.535 -0.401 -0.568) 0.877 6.245 ( -0.008 0.285 0.421) 0.508 6.257 ( 0.005 -0.211 0.261) 0.336 6.402 ( -0.045 0.112 1.030) 1.037 6.404 ( -0.072 0.074 0.923) 0.929 8.725 ( -0.328 0.408 -0.633) 0.821 8.752 ( 0.271 1.526 0.423) 1.607 8.792 ( 0.961 -2.248 -2.108) 3.228 8.882 ( -0.905 -3.526 -1.983) 4.146 13.007 ( 0.030 -1.068 1.395) 1.758 13.036 ( 0.422 -2.173 2.301) 3.193 13.138 ( 0.135 0.991 -0.764) 1.258 13.148 ( 0.533 0.169 0.240) 0.608 13.191 ( -0.113 2.249 1.266) 2.583 13.203 ( 0.481 1.358 1.491) 2.073 13.229 ( -0.799 1.707 -0.335) 1.915 13.237 ( 0.144 0.002 1.148) 1.157 13.246 ( -0.443 2.420 1.003) 2.657 13.286 ( 1.752 0.379 -0.477) 1.855 13.314 ( -0.560 2.916 -0.318) 2.987 13.327 ( -0.554 2.595 -1.196) 2.911 13.352 ( -0.000 2.274 1.218) 2.580 13.405 ( 1.125 0.328 0.810) 1.424 13.509 ( 0.202 -3.588 -2.251) 4.240 13.532 ( -1.880 -3.839 1.916) 4.685 13.563 ( -0.854 0.678 -2.591) 2.811 13.656 ( 1.061 -1.946 -1.935) 2.942 13.689 ( -0.790 2.612 -1.876) 3.312 13.860 ( 0.228 -3.427 -2.707) 4.373 ======================= Grid point 32 (17/42) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -2.770 8.191 7.564) 11.488 0.529 ( -11.648 5.465 5.309) 13.918 0.578 ( 2.755 2.968 6.618) 7.759 0.719 ( -1.617 1.475 1.803) 2.836 0.767 ( 3.646 7.123 5.014) 9.443 0.819 ( -1.099 3.683 4.980) 6.290 0.845 ( -1.079 7.885 -1.448) 8.089 0.893 ( -0.870 -0.214 2.602) 2.752 0.929 ( 2.034 -2.521 1.642) 3.632 0.964 ( 0.330 0.426 -0.069) 0.543 1.049 ( -3.615 1.745 2.932) 4.971 1.074 ( 0.226 6.581 -0.258) 6.589 1.148 ( 0.767 -2.560 -0.452) 2.711 1.232 ( 6.345 -3.916 -2.085) 7.742 1.236 ( 0.064 -3.635 0.212) 3.641 1.330 ( 0.542 0.029 -5.177) 5.206 1.414 ( 0.500 -0.764 0.561) 1.072 1.441 ( -2.300 1.343 -2.130) 3.411 1.485 ( 3.446 -2.324 -0.890) 4.251 1.532 ( 2.303 -3.164 -1.534) 4.203 1.570 ( -0.923 -5.453 -5.256) 7.630 1.619 ( -1.555 0.479 -2.083) 2.643 1.645 ( -1.812 -0.122 -4.836) 5.166 1.717 ( -0.598 -9.150 -0.246) 9.173 1.774 ( 0.274 -1.902 0.048) 1.922 1.798 ( 2.923 -4.917 0.774) 5.773 1.824 ( -2.592 -0.385 4.613) 5.305 1.877 ( -2.925 -1.779 0.413) 3.448 1.888 ( -1.730 -0.566 -0.073) 1.822 1.932 ( 3.566 -2.314 -3.079) 5.249 1.991 ( 4.223 0.495 -1.126) 4.399 2.026 ( 1.648 0.457 0.517) 1.787 2.128 ( -1.836 -2.241 4.673) 5.498 2.143 ( -0.262 -0.593 2.454) 2.538 2.213 ( -1.086 -2.965 2.364) 3.944 2.245 ( 0.689 -0.579 2.841) 2.980 2.283 ( -1.094 1.767 0.122) 2.082 2.370 ( -1.884 -1.678 1.474) 2.921 2.382 ( 1.083 1.474 2.445) 3.053 2.421 ( 0.066 -1.206 -0.356) 1.259 2.447 ( -0.035 2.458 2.247) 3.330 2.455 ( -2.441 1.391 1.339) 3.113 2.459 ( -1.522 3.413 -0.038) 3.737 2.524 ( 2.522 2.110 0.924) 3.416 2.537 ( 1.891 1.159 0.969) 2.421 2.560 ( 0.996 1.956 -1.468) 2.641 2.599 ( 0.163 1.182 1.240) 1.721 2.626 ( 0.823 2.799 -0.411) 2.947 2.674 ( -1.084 1.092 1.497) 2.147 2.704 ( -0.067 1.441 -0.681) 1.595 2.715 ( -0.691 1.528 0.022) 1.677 2.732 ( 0.301 0.662 -0.389) 0.824 2.753 ( 1.323 1.700 -0.611) 2.239 2.761 ( 1.278 1.128 0.261) 1.725 2.794 ( -0.176 -1.120 -1.238) 1.679 2.828 ( -1.708 -0.559 -1.788) 2.535 2.878 ( 1.551 0.799 -0.955) 1.989 2.884 ( 1.067 -1.104 1.830) 2.389 2.895 ( 0.354 -0.792 -0.355) 0.937 2.926 ( 1.033 0.168 -0.580) 1.196 2.939 ( -0.077 1.381 -1.786) 2.258 2.978 ( 1.398 3.143 -0.834) 3.539 2.994 ( -2.039 -1.094 0.111) 2.317 3.014 ( -1.714 1.475 -2.029) 3.038 3.069 ( -0.309 -1.127 -0.776) 1.402 3.084 ( -1.948 -2.607 1.094) 3.433 3.136 ( -1.984 -1.989 0.739) 2.905 3.154 ( 0.235 -0.405 -0.014) 0.468 3.193 ( 0.363 1.333 0.897) 1.647 3.218 ( 1.951 -0.351 -0.187) 1.992 3.238 ( -0.136 -2.661 -3.082) 4.074 3.244 ( -0.713 -1.656 -0.254) 1.820 3.274 ( 1.303 -0.558 -0.041) 1.418 3.313 ( -0.816 -2.212 -0.194) 2.366 3.328 ( 0.499 0.200 -1.296) 1.403 3.368 ( -1.246 -1.541 -1.341) 2.393 3.427 ( 0.812 -1.034 -0.675) 1.478 3.448 ( -0.202 0.032 -0.240) 0.315 3.495 ( -0.361 -0.747 -0.927) 1.244 3.525 ( 0.796 -2.385 0.832) 2.649 3.719 ( 0.508 3.003 -0.092) 3.047 3.726 ( -1.667 3.606 0.665) 4.028 3.805 ( -1.017 1.339 0.985) 1.949 3.866 ( 0.112 -1.262 -1.755) 2.164 3.912 ( -0.289 1.280 1.805) 2.231 3.925 ( 0.107 1.167 0.401) 1.239 3.958 ( 0.739 0.292 0.570) 0.979 4.004 ( -1.644 -1.521 1.413) 2.648 4.025 ( -0.907 -0.641 -2.017) 2.302 4.061 ( -0.507 -1.071 -1.022) 1.565 4.092 ( 3.159 2.021 2.265) 4.381 4.137 ( 0.180 1.745 2.491) 3.047 4.151 ( 0.487 0.865 1.516) 1.812 4.169 ( 0.657 0.723 0.650) 1.173 4.207 ( 1.081 -1.308 0.876) 1.910 4.244 ( -1.736 2.328 -1.529) 3.282 4.274 ( 0.457 -2.153 2.717) 3.497 4.294 ( -1.939 -0.583 -0.252) 2.040 4.321 ( -0.292 0.568 0.323) 0.716 4.340 ( -0.186 -0.835 1.372) 1.617 4.353 ( 0.040 -1.623 -0.477) 1.692 4.387 ( 0.871 -0.966 1.028) 1.658 4.412 ( 0.689 0.800 -0.326) 1.105 4.475 ( -1.256 1.436 0.118) 1.911 4.496 ( 0.156 -1.450 -0.979) 1.757 4.529 ( -1.017 -1.012 -0.486) 1.515 4.545 ( 0.848 1.448 -1.288) 2.116 4.556 ( -0.036 0.826 -1.280) 1.524 4.619 ( -0.052 0.891 -2.425) 2.584 4.629 ( 0.373 0.194 -3.464) 3.489 4.674 ( 1.001 0.199 -1.727) 2.006 4.694 ( -1.246 -0.676 -2.700) 3.050 5.340 ( -0.496 1.074 0.848) 1.456 5.382 ( -0.765 -0.711 0.095) 1.049 5.399 ( 0.155 0.501 -0.769) 0.931 5.421 ( 1.051 -0.502 -0.691) 1.354 6.244 ( -0.057 0.337 0.387) 0.517 6.258 ( 0.012 -0.197 0.243) 0.313 6.401 ( -0.145 0.072 1.044) 1.056 6.403 ( -0.032 0.033 0.880) 0.882 8.713 ( -0.635 0.119 -0.097) 0.653 8.744 ( -2.526 -1.112 -0.984) 2.930 8.774 ( -0.844 0.903 -1.490) 1.936 8.893 ( 1.560 -3.443 -0.718) 3.847 13.016 ( 0.734 -0.709 1.589) 1.889 13.053 ( 1.038 -2.359 2.204) 3.391 13.135 ( -0.399 0.710 -0.808) 1.148 13.150 ( -0.382 -0.186 0.229) 0.483 13.189 ( -0.043 1.551 1.277) 2.009 13.210 ( -0.834 0.606 1.536) 1.850 13.212 ( -1.201 1.690 0.761) 2.209 13.219 ( 0.211 0.994 0.590) 1.175 13.246 ( -0.156 1.527 0.704) 1.689 13.298 ( -0.577 1.729 0.263) 1.842 13.317 ( 0.329 3.472 -3.942) 5.263 13.324 ( 0.638 0.300 0.920) 1.159 13.371 ( 1.177 1.688 -0.896) 2.244 13.421 ( 0.220 1.448 1.528) 2.117 13.487 ( -1.807 -2.968 -2.141) 4.081 13.520 ( 0.559 -1.948 -1.249) 2.380 13.565 ( 2.390 0.444 -0.628) 2.511 13.646 ( -1.095 -1.799 0.218) 2.117 13.709 ( 1.816 1.743 -2.813) 3.775 13.880 ( 1.558 -3.744 -2.543) 4.787 ======================= Grid point 33 (18/42) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -0.084 -5.601 3.647) 6.684 0.528 ( -0.084 5.601 3.647) 6.684 0.670 ( -0.501 -6.958 4.936) 8.546 0.670 ( -0.501 6.958 4.936) 8.546 0.778 ( 0.360 -4.165 3.128) 5.221 0.778 ( 0.360 4.165 3.128) 5.221 0.906 ( -0.510 -0.670 2.150) 2.309 0.906 ( -0.510 0.670 2.150) 2.309 1.014 ( 1.559 -6.795 -0.384) 6.982 1.014 ( 1.559 6.795 -0.384) 6.982 1.102 ( -0.809 -6.064 -2.834) 6.743 1.102 ( -0.809 6.064 -2.834) 6.743 1.212 ( 0.455 -9.215 1.114) 9.293 1.212 ( 0.455 9.215 1.114) 9.293 1.278 ( 0.386 -3.711 0.871) 3.832 1.278 ( 0.386 3.711 0.871) 3.832 1.388 ( -1.367 -3.208 -2.698) 4.409 1.388 ( -1.367 3.208 -2.698) 4.409 1.452 ( -0.940 -3.330 -3.732) 5.089 1.452 ( -0.940 3.330 -3.732) 5.089 1.532 ( 0.372 -5.503 -1.092) 5.622 1.532 ( 0.372 5.503 -1.092) 5.622 1.708 ( 1.793 -4.337 -0.896) 4.778 1.708 ( 1.793 4.337 -0.896) 4.778 1.732 ( 0.888 -2.952 -0.281) 3.095 1.732 ( 0.888 2.952 -0.281) 3.095 1.796 ( -2.614 -1.683 -0.710) 3.189 1.796 ( -2.614 1.683 -0.710) 3.189 1.882 ( 0.357 -4.347 1.077) 4.492 1.882 ( 0.357 4.347 1.077) 4.492 2.050 ( -0.985 -1.083 3.636) 3.920 2.050 ( -0.985 1.083 3.636) 3.920 2.108 ( 0.484 -2.658 -1.482) 3.082 2.108 ( 0.484 2.658 -1.482) 3.082 2.224 ( 1.516 -2.408 4.131) 5.016 2.224 ( 1.516 2.408 4.131) 5.016 2.330 ( 0.232 -1.817 1.664) 2.475 2.330 ( 0.232 1.817 1.664) 2.475 2.401 ( -1.031 -0.681 0.737) 1.439 2.401 ( -1.031 0.681 0.737) 1.439 2.439 ( 0.999 -1.127 -0.643) 1.638 2.439 ( 0.999 1.127 -0.643) 1.638 2.526 ( -0.861 -2.899 1.930) 3.588 2.526 ( -0.861 2.899 1.930) 3.588 2.593 ( -1.106 -1.625 -0.877) 2.153 2.593 ( -1.106 1.625 -0.877) 2.153 2.655 ( 1.034 -2.451 1.036) 2.855 2.655 ( 1.034 2.451 1.036) 2.855 2.674 ( 0.220 -1.059 1.808) 2.107 2.674 ( 0.220 1.059 1.808) 2.107 2.742 ( -0.728 -0.842 -0.179) 1.128 2.742 ( -0.728 0.842 -0.179) 1.128 2.783 ( -0.335 -2.081 -1.328) 2.491 2.783 ( -0.335 2.081 -1.328) 2.491 2.833 ( 1.011 -1.713 0.711) 2.112 2.833 ( 1.011 1.713 0.711) 2.112 2.859 ( 0.344 -2.360 0.210) 2.394 2.859 ( 0.344 2.360 0.210) 2.394 2.912 ( -2.307 -0.896 -1.132) 2.721 2.912 ( -2.307 0.896 -1.132) 2.721 2.945 ( 1.631 -1.844 -1.659) 2.968 2.945 ( 1.631 1.844 -1.659) 2.968 3.025 ( -0.333 -0.697 -1.088) 1.334 3.025 ( -0.333 0.697 -1.088) 1.334 3.046 ( -0.074 -1.577 -0.239) 1.597 3.046 ( -0.074 1.577 -0.239) 1.597 3.137 ( 0.025 -2.224 -1.396) 2.626 3.137 ( 0.025 2.224 -1.396) 2.626 3.198 ( 0.502 -3.581 0.109) 3.617 3.198 ( 0.502 3.581 0.109) 3.617 3.245 ( 0.248 -0.591 -0.923) 1.124 3.245 ( 0.248 0.591 -0.923) 1.124 3.286 ( 0.688 -2.272 -0.174) 2.380 3.286 ( 0.688 2.272 -0.174) 2.380 3.326 ( -0.637 -1.226 -0.683) 1.541 3.326 ( -0.637 1.226 -0.683) 1.541 3.420 ( 0.159 -1.795 0.722) 1.941 3.420 ( 0.159 1.795 0.722) 1.941 3.506 ( 0.253 -0.617 -0.626) 0.915 3.506 ( 0.253 0.617 -0.626) 0.915 3.769 ( 0.404 -1.472 -0.055) 1.527 3.769 ( 0.404 1.472 -0.055) 1.527 3.818 ( -0.369 -2.925 -0.851) 3.069 3.818 ( -0.369 2.925 -0.851) 3.069 3.936 ( -0.026 -0.626 1.927) 2.026 3.936 ( -0.026 0.626 1.927) 2.026 3.962 ( -0.158 -1.001 1.671) 1.954 3.962 ( -0.158 1.001 1.671) 1.954 4.018 ( -0.544 -1.398 -1.126) 1.876 4.018 ( -0.544 1.398 -1.126) 1.876 4.158 ( -0.681 -1.147 1.447) 1.968 4.158 ( -0.681 1.147 1.447) 1.968 4.185 ( 0.795 -1.256 0.580) 1.595 4.185 ( 0.795 1.256 0.580) 1.595 4.225 ( -0.315 -2.127 0.079) 2.152 4.225 ( -0.315 2.127 0.079) 2.152 4.256 ( 0.332 -0.431 1.995) 2.067 4.256 ( 0.332 0.431 1.995) 2.067 4.328 ( -0.408 -1.382 0.104) 1.445 4.328 ( -0.408 1.382 0.104) 1.445 4.379 ( 1.505 -1.532 0.716) 2.263 4.379 ( 1.505 1.532 0.716) 2.263 4.464 ( -0.209 -2.439 -0.605) 2.521 4.464 ( -0.209 2.439 -0.605) 2.521 4.480 ( 0.411 -0.836 -0.338) 0.991 4.480 ( 0.411 0.836 -0.338) 0.991 4.552 ( -2.269 -1.375 -4.398) 5.136 4.552 ( -2.269 1.375 -4.398) 5.136 4.639 ( 0.957 -1.450 -1.380) 2.219 4.639 ( 0.957 1.450 -1.380) 2.219 4.667 ( 0.207 -0.846 -1.093) 1.398 4.667 ( 0.207 0.846 -1.093) 1.398 5.357 ( 0.011 -0.876 0.492) 1.005 5.357 ( 0.011 0.876 0.492) 1.005 5.413 ( -0.143 -0.730 -0.749) 1.056 5.413 ( -0.143 0.730 -0.749) 1.056 6.252 ( -0.006 -0.400 0.292) 0.496 6.252 ( -0.006 0.400 0.292) 0.496 6.402 ( 0.032 -0.124 0.875) 0.884 6.402 ( 0.032 0.124 0.875) 0.884 8.704 ( 0.112 -0.263 0.055) 0.291 8.704 ( 0.112 0.263 0.055) 0.291 8.829 ( -0.040 -3.648 -0.713) 3.717 8.829 ( -0.040 3.648 -0.713) 3.717 13.030 ( -0.259 -0.989 2.137) 2.369 13.030 ( -0.259 0.989 2.137) 2.369 13.137 ( -0.259 -0.221 -0.456) 0.570 13.137 ( -0.259 0.221 -0.456) 0.570 13.210 ( 0.292 -0.506 1.643) 1.744 13.210 ( 0.292 0.506 1.643) 1.744 13.220 ( 0.169 -1.119 0.869) 1.426 13.220 ( 0.169 1.119 0.869) 1.426 13.286 ( -0.693 -1.860 -0.374) 2.020 13.286 ( -0.693 1.860 -0.374) 2.020 13.349 ( 0.732 -0.618 -1.081) 1.444 13.349 ( 0.732 0.618 -1.081) 1.444 13.412 ( -0.069 -2.032 -1.664) 2.627 13.412 ( -0.069 2.032 -1.664) 2.627 13.478 ( -0.491 -3.983 1.488) 4.280 13.478 ( -0.491 3.983 1.488) 4.280 13.604 ( 0.595 -0.648 -3.057) 3.181 13.604 ( 0.595 0.648 -3.057) 3.181 13.797 ( 0.000 -5.001 -2.565) 5.620 13.797 ( 0.000 5.001 -2.565) 5.620 ======================= Grid point 35 (19/42) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 1.426 -10.878 -0.055) 10.971 0.551 ( 1.426 10.878 -0.055) 10.971 0.686 ( 2.075 -3.768 4.935) 6.546 0.686 ( 2.075 3.768 4.935) 6.546 0.804 ( 1.872 -3.309 4.694) 6.040 0.804 ( 1.872 3.309 4.694) 6.040 0.888 ( -1.069 -2.342 0.748) 2.681 0.888 ( -1.069 2.342 0.748) 2.681 1.013 ( -2.215 -2.155 0.891) 3.216 1.013 ( -2.215 2.155 0.891) 3.216 1.090 ( 0.337 -2.786 -4.667) 5.446 1.090 ( 0.337 2.786 -4.667) 5.446 1.213 ( 0.166 -12.099 4.528) 12.919 1.213 ( 0.166 12.099 4.528) 12.919 1.279 ( -1.197 -2.555 -0.492) 2.864 1.279 ( -1.197 2.555 -0.492) 2.864 1.372 ( 0.692 -5.528 -3.973) 6.843 1.372 ( 0.692 5.528 -3.973) 6.843 1.436 ( -0.458 -3.245 -4.678) 5.712 1.436 ( -0.458 3.245 -4.678) 5.712 1.533 ( -0.378 -3.636 0.795) 3.741 1.533 ( -0.378 3.636 0.795) 3.741 1.709 ( -1.019 -3.107 0.616) 3.327 1.709 ( -1.019 3.107 0.616) 3.327 1.736 ( -2.150 -0.383 -0.639) 2.276 1.736 ( -2.150 0.383 -0.639) 2.276 1.785 ( 2.906 -3.704 -1.750) 5.023 1.785 ( 2.906 3.704 -1.750) 5.023 1.912 ( 2.335 -4.261 1.475) 5.078 1.912 ( 2.335 4.261 1.475) 5.078 2.012 ( -2.832 -1.854 1.954) 3.908 2.012 ( -2.832 1.854 1.954) 3.908 2.117 ( 0.451 -0.741 0.529) 1.016 2.117 ( 0.451 0.741 0.529) 1.016 2.232 ( -0.872 -1.766 4.313) 4.741 2.232 ( -0.872 1.766 4.313) 4.741 2.333 ( 0.120 -2.351 2.390) 3.355 2.333 ( 0.120 2.351 2.390) 3.355 2.391 ( -0.011 -0.669 0.418) 0.789 2.391 ( -0.011 0.669 0.418) 0.789 2.482 ( 2.021 -1.065 -0.059) 2.286 2.482 ( 2.021 1.065 -0.059) 2.286 2.498 ( -0.683 -1.373 0.872) 1.764 2.498 ( -0.683 1.373 0.872) 1.764 2.575 ( -1.011 -0.344 -0.082) 1.071 2.575 ( -1.011 0.344 -0.082) 1.071 2.662 ( 0.029 -1.148 -1.574) 1.948 2.662 ( 0.029 1.148 -1.574) 1.948 2.688 ( 0.658 -1.283 0.355) 1.485 2.688 ( 0.658 1.283 0.355) 1.485 2.730 ( -0.916 -3.159 1.945) 3.822 2.730 ( -0.916 3.159 1.945) 3.822 2.766 ( -1.246 -0.476 0.479) 1.417 2.766 ( -1.246 0.476 0.479) 1.417 2.820 ( -0.160 -2.472 0.346) 2.501 2.820 ( -0.160 2.472 0.346) 2.501 2.857 ( -1.300 -1.366 -2.148) 2.858 2.857 ( -1.300 1.366 -2.148) 2.858 2.913 ( 1.773 -0.695 -1.402) 2.365 2.913 ( 1.773 0.695 -1.402) 2.365 2.965 ( 0.232 -1.175 -0.183) 1.211 2.965 ( 0.232 1.175 -0.183) 1.211 3.024 ( -0.112 -1.277 -1.013) 1.634 3.024 ( -0.112 1.277 -1.013) 1.634 3.067 ( 2.301 -2.490 -1.581) 3.741 3.067 ( 2.301 2.490 -1.581) 3.741 3.131 ( -0.378 -2.397 -1.180) 2.698 3.131 ( -0.378 2.397 -1.180) 2.698 3.184 ( -1.715 -1.482 -0.200) 2.275 3.184 ( -1.715 1.482 -0.200) 2.275 3.256 ( 0.622 -1.700 -1.410) 2.294 3.256 ( 0.622 1.700 -1.410) 2.294 3.286 ( -1.075 -1.426 1.767) 2.512 3.286 ( -1.075 1.426 1.767) 2.512 3.322 ( 0.447 -3.892 0.201) 3.923 3.322 ( 0.447 3.892 0.201) 3.923 3.432 ( 1.129 -2.148 0.752) 2.540 3.432 ( 1.129 2.148 0.752) 2.540 3.499 ( -1.087 -0.602 -0.641) 1.398 3.499 ( -1.087 0.602 -0.641) 1.398 3.779 ( 0.371 -2.540 0.054) 2.568 3.779 ( 0.371 2.540 0.054) 2.568 3.822 ( 0.771 -2.488 -1.995) 3.281 3.822 ( 0.771 2.488 -1.995) 3.281 3.932 ( -0.306 -0.597 1.543) 1.683 3.932 ( -0.306 0.597 1.543) 1.683 3.975 ( 1.263 -0.679 1.650) 2.186 3.975 ( 1.263 0.679 1.650) 2.186 4.012 ( 0.323 -0.245 -0.424) 0.586 4.012 ( 0.323 0.245 -0.424) 0.586 4.140 ( -1.189 -1.537 0.723) 2.073 4.140 ( -1.189 1.537 0.723) 2.073 4.180 ( -1.632 -2.691 0.579) 3.200 4.180 ( -1.632 2.691 0.579) 3.200 4.211 ( -0.669 -1.072 3.122) 3.368 4.211 ( -0.669 1.072 3.122) 3.368 4.279 ( 1.980 -0.608 0.203) 2.081 4.279 ( 1.980 0.608 0.203) 2.081 4.327 ( 0.231 -0.801 0.606) 1.030 4.327 ( 0.231 0.801 0.606) 1.030 4.385 ( -1.201 -1.101 -0.114) 1.633 4.385 ( -1.201 1.101 -0.114) 1.633 4.462 ( -0.488 -2.277 -0.071) 2.330 4.462 ( -0.488 2.277 -0.071) 2.330 4.502 ( 1.629 -1.684 -1.438) 2.749 4.502 ( 1.629 1.684 -1.438) 2.749 4.516 ( -0.257 -3.069 -3.846) 4.927 4.516 ( -0.257 3.069 -3.846) 4.927 4.652 ( 0.259 -2.282 -0.942) 2.482 4.652 ( 0.259 2.282 -0.942) 2.482 4.675 ( 0.469 -0.602 -1.900) 2.047 4.675 ( 0.469 0.602 -1.900) 2.047 5.364 ( 0.655 -0.931 0.369) 1.197 5.364 ( 0.655 0.931 0.369) 1.197 5.406 ( -0.473 -0.649 -0.780) 1.119 5.406 ( -0.473 0.649 -0.780) 1.119 6.252 ( -0.039 -0.377 0.333) 0.504 6.252 ( -0.039 0.377 0.333) 0.504 6.404 ( 0.057 -0.089 0.895) 0.901 6.404 ( 0.057 0.089 0.895) 0.901 8.723 ( 1.632 -0.489 -0.249) 1.722 8.723 ( 1.632 0.489 -0.249) 1.722 8.821 ( -0.769 -3.672 -0.783) 3.833 8.821 ( -0.769 3.672 -0.783) 3.833 13.014 ( -1.119 -0.842 1.852) 2.322 13.014 ( -1.119 0.842 1.852) 2.322 13.141 ( 0.566 -0.182 -0.133) 0.609 13.141 ( 0.566 0.182 -0.133) 0.609 13.212 ( 0.161 -0.782 1.420) 1.629 13.212 ( 0.161 0.782 1.420) 1.629 13.241 ( 1.630 -1.248 0.381) 2.088 13.241 ( 1.630 1.248 0.381) 2.088 13.270 ( -1.158 -1.676 -0.148) 2.042 13.270 ( -1.158 1.676 -0.148) 2.042 13.367 ( 1.418 -0.510 -0.180) 1.518 13.367 ( 1.418 0.510 -0.180) 1.518 13.416 ( -0.283 -3.081 -2.057) 3.715 13.416 ( -0.283 3.081 -2.057) 3.715 13.455 ( -1.319 -5.714 1.601) 6.079 13.455 ( -1.319 5.714 1.601) 6.079 13.605 ( -0.225 -2.202 -2.546) 3.374 13.605 ( -0.225 2.202 -2.546) 3.374 13.785 ( -1.063 -4.840 -2.616) 5.603 13.785 ( -1.063 4.840 -2.616) 5.603 ======================= Grid point 37 (20/42) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.406 -8.213 1.815) 8.421 0.569 ( 0.406 8.213 1.815) 8.421 0.715 ( 0.244 -6.854 1.978) 7.138 0.715 ( 0.244 6.854 1.978) 7.138 0.810 ( -1.517 -2.670 3.324) 4.526 0.810 ( -1.517 2.670 3.324) 4.526 0.898 ( 1.192 -7.680 1.453) 7.907 0.898 ( 1.192 7.680 1.453) 7.907 0.981 ( -0.304 -4.001 -1.037) 4.144 0.981 ( -0.304 4.001 -1.037) 4.144 1.073 ( -1.226 -2.706 -3.125) 4.312 1.073 ( -1.226 2.706 -3.125) 4.312 1.212 ( -1.302 -7.506 1.732) 7.813 1.212 ( -1.302 7.506 1.732) 7.813 1.283 ( 1.946 -4.410 0.462) 4.843 1.283 ( 1.946 4.410 0.462) 4.843 1.395 ( 1.505 -5.124 -2.428) 5.866 1.395 ( 1.505 5.124 -2.428) 5.866 1.434 ( 0.550 -5.085 -4.098) 6.554 1.434 ( 0.550 5.085 -4.098) 6.554 1.522 ( -0.509 -1.472 2.051) 2.576 1.522 ( -0.509 1.472 2.051) 2.576 1.681 ( -1.548 -1.157 0.146) 1.938 1.681 ( -1.548 1.157 0.146) 1.938 1.723 ( 0.345 -2.273 -1.336) 2.659 1.723 ( 0.345 2.273 -1.336) 2.659 1.830 ( 1.775 -1.218 -0.396) 2.189 1.830 ( 1.775 1.218 -0.396) 2.189 1.933 ( -1.905 -1.159 3.048) 3.777 1.933 ( -1.905 1.159 3.048) 3.777 1.974 ( 0.730 -2.296 -1.655) 2.923 1.974 ( 0.730 2.296 -1.655) 2.923 2.126 ( 0.188 -2.404 2.903) 3.774 2.126 ( 0.188 2.404 2.903) 3.774 2.213 ( -1.087 -2.242 4.156) 4.845 2.213 ( -1.087 2.242 4.156) 4.845 2.335 ( -0.281 -2.494 2.651) 3.651 2.335 ( -0.281 2.494 2.651) 3.651 2.403 ( 1.004 -1.403 0.979) 1.984 2.403 ( 1.004 1.403 0.979) 1.984 2.458 ( -1.028 -1.839 -1.475) 2.572 2.458 ( -1.028 1.839 -1.475) 2.572 2.530 ( -0.432 -2.362 0.734) 2.511 2.530 ( -0.432 2.362 0.734) 2.511 2.572 ( 2.111 -1.318 1.844) 3.098 2.572 ( 2.111 1.318 1.844) 3.098 2.650 ( -1.262 -1.667 -0.655) 2.192 2.650 ( -1.262 1.667 -0.655) 2.192 2.691 ( -1.305 -4.335 0.346) 4.540 2.691 ( -1.305 4.335 0.346) 4.540 2.723 ( 1.655 -1.662 -1.183) 2.627 2.723 ( 1.655 1.662 -1.183) 2.627 2.760 ( 0.650 -2.076 0.221) 2.186 2.760 ( 0.650 2.076 0.221) 2.186 2.818 ( -1.176 -0.345 -0.691) 1.407 2.818 ( -1.176 0.345 -0.691) 1.407 2.858 ( 2.035 -2.161 -2.130) 3.654 2.858 ( 2.035 2.161 -2.130) 3.654 2.922 ( -1.419 -1.214 -1.330) 2.292 2.922 ( -1.419 1.214 -1.330) 2.292 2.962 ( 0.008 -1.373 -0.178) 1.385 2.962 ( 0.008 1.373 -0.178) 1.385 3.021 ( 0.077 -1.928 -0.395) 1.969 3.021 ( 0.077 1.928 -0.395) 1.969 3.088 ( -0.644 -2.233 -0.577) 2.394 3.088 ( -0.644 2.233 -0.577) 2.394 3.136 ( 0.666 -3.342 -2.904) 4.477 3.136 ( 0.666 3.342 -2.904) 4.477 3.178 ( 2.210 -1.670 -1.022) 2.952 3.178 ( 2.210 1.670 -1.022) 2.952 3.232 ( -3.339 -2.569 1.596) 4.505 3.232 ( -3.339 2.569 1.596) 4.505 3.275 ( 0.147 -2.836 0.806) 2.952 3.275 ( 0.147 2.836 0.806) 2.952 3.336 ( 0.774 -3.024 1.409) 3.425 3.336 ( 0.774 3.024 1.409) 3.425 3.444 ( -0.670 -1.429 -0.599) 1.688 3.444 ( -0.670 1.429 -0.599) 1.688 3.482 ( 0.197 -0.747 0.176) 0.792 3.482 ( 0.197 0.747 0.176) 0.792 3.778 ( -0.395 -2.281 -0.514) 2.371 3.778 ( -0.395 2.281 -0.514) 2.371 3.833 ( 0.361 -1.133 -1.797) 2.155 3.833 ( 0.361 1.133 -1.797) 2.155 3.934 ( 0.338 -0.646 1.263) 1.458 3.934 ( 0.338 0.646 1.263) 1.458 3.978 ( -0.628 -2.212 0.434) 2.340 3.978 ( -0.628 2.212 0.434) 2.340 4.044 ( 1.785 -0.968 0.872) 2.210 4.044 ( 1.785 0.968 0.872) 2.210 4.109 ( -1.268 -1.509 1.876) 2.721 4.109 ( -1.268 1.509 1.876) 2.721 4.159 ( -0.081 -1.055 1.280) 1.661 4.159 ( -0.081 1.055 1.280) 1.661 4.212 ( 0.381 -2.070 1.965) 2.880 4.212 ( 0.381 2.070 1.965) 2.880 4.307 ( 0.090 -0.890 -0.075) 0.897 4.307 ( 0.090 0.890 -0.075) 0.897 4.332 ( 0.201 -0.264 0.443) 0.554 4.332 ( 0.201 0.264 0.443) 0.554 4.354 ( -1.120 -1.664 -0.381) 2.042 4.354 ( -1.120 1.664 -0.381) 2.042 4.444 ( -0.595 -2.649 -1.216) 2.975 4.444 ( -0.595 2.649 -1.216) 2.975 4.520 ( 0.104 -1.653 -1.691) 2.367 4.520 ( 0.104 1.653 -1.691) 2.367 4.540 ( 2.004 -1.577 -2.114) 3.312 4.540 ( 2.004 1.577 -2.114) 3.312 4.642 ( -1.023 -0.900 -1.584) 2.089 4.642 ( -1.023 0.900 -1.584) 2.089 4.682 ( 0.252 -1.560 -1.541) 2.207 4.682 ( 0.252 1.560 -1.541) 2.207 5.372 ( -0.111 -1.229 0.448) 1.313 5.372 ( -0.111 1.229 0.448) 1.313 5.402 ( 0.254 -0.292 -0.963) 1.038 5.402 ( 0.254 0.292 -0.963) 1.038 6.251 ( -0.009 -0.357 0.374) 0.517 6.251 ( -0.009 0.357 0.374) 0.517 6.404 ( -0.070 -0.062 0.902) 0.907 6.404 ( -0.070 0.062 0.902) 0.907 8.742 ( -0.133 -1.375 -0.756) 1.575 8.742 ( -0.133 1.375 -0.756) 1.575 8.811 ( 0.117 -3.133 -0.598) 3.191 8.811 ( 0.117 3.133 -0.598) 3.191 13.005 ( 0.171 -0.831 2.076) 2.243 13.005 ( 0.171 0.831 2.076) 2.243 13.149 ( 0.171 -0.176 -0.136) 0.280 13.149 ( 0.171 0.176 -0.136) 0.280 13.217 ( 0.058 -0.667 1.917) 2.031 13.217 ( 0.058 0.667 1.917) 2.031 13.240 ( -1.346 -0.898 -0.571) 1.715 13.240 ( -1.346 0.898 -0.571) 1.715 13.279 ( 1.835 -1.153 0.514) 2.227 13.279 ( 1.835 1.153 0.514) 2.227 13.374 ( -1.786 -1.270 -2.079) 3.021 13.374 ( -1.786 1.270 -2.079) 3.021 13.412 ( 1.519 -2.600 0.767) 3.107 13.412 ( 1.519 2.600 0.767) 3.107 13.442 ( -0.396 -2.651 0.233) 2.690 13.442 ( -0.396 2.651 0.233) 2.690 13.600 ( -0.274 -2.915 -1.894) 3.487 13.600 ( -0.274 2.915 -1.894) 3.487 13.771 ( 0.135 -4.825 -2.686) 5.524 13.771 ( 0.135 4.825 -2.686) 5.524 ======================= Grid point 39 (21/42) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -1.978 -4.125 3.790) 5.940 0.556 ( -1.978 4.125 3.790) 5.940 0.693 ( -2.213 -6.441 3.998) 7.897 0.693 ( -2.213 6.441 3.998) 7.897 0.785 ( -0.880 -3.435 1.811) 3.982 0.785 ( -0.880 3.435 1.811) 3.982 0.907 ( 0.110 -4.868 2.452) 5.452 0.907 ( 0.110 4.868 2.452) 5.452 0.990 ( 0.930 -6.542 -2.430) 7.040 0.990 ( 0.930 6.542 -2.430) 7.040 1.085 ( 2.162 -6.181 -1.513) 6.720 1.085 ( 2.162 6.181 -1.513) 6.720 1.198 ( 0.242 -4.787 -0.528) 4.822 1.198 ( 0.242 4.787 -0.528) 4.822 1.293 ( -1.087 -7.412 1.736) 7.690 1.293 ( -1.087 7.412 1.736) 7.690 1.405 ( -0.450 -0.533 -2.108) 2.221 1.405 ( -0.450 0.533 -2.108) 2.221 1.450 ( 1.206 -2.419 -3.030) 4.060 1.450 ( 1.206 2.419 -3.030) 4.060 1.526 ( 0.472 -4.814 -0.454) 4.858 1.526 ( 0.472 4.814 -0.454) 4.858 1.680 ( 1.204 -3.154 -0.239) 3.384 1.680 ( 1.204 3.154 -0.239) 3.384 1.724 ( -0.007 -2.406 -0.980) 2.598 1.724 ( -0.007 2.406 -0.980) 2.598 1.833 ( -1.514 -1.579 0.941) 2.381 1.833 ( -1.514 1.579 0.941) 2.381 1.895 ( -1.309 -0.892 0.245) 1.603 1.895 ( -1.309 0.892 0.245) 1.603 2.019 ( 3.320 -1.836 -0.495) 3.826 2.019 ( 3.320 1.836 -0.495) 3.826 2.119 ( -1.080 -1.741 2.941) 3.584 2.119 ( -1.080 1.741 2.941) 3.584 2.201 ( 0.021 -2.101 4.059) 4.570 2.201 ( 0.021 2.101 4.059) 4.570 2.329 ( -0.210 -2.092 2.134) 2.996 2.329 ( -0.210 2.092 2.134) 2.996 2.415 ( 0.031 -1.269 0.772) 1.485 2.415 ( 0.031 1.269 0.772) 1.485 2.444 ( -1.068 -1.287 -1.689) 2.377 2.444 ( -1.068 1.287 -1.689) 2.377 2.522 ( 0.479 -2.325 2.019) 3.116 2.522 ( 0.479 2.325 2.019) 3.116 2.616 ( -0.011 -3.786 0.061) 3.787 2.616 ( -0.011 3.786 0.061) 3.787 2.626 ( 0.723 -2.886 1.329) 3.259 2.626 ( 0.723 2.886 1.329) 3.259 2.676 ( -0.221 -3.427 1.092) 3.604 2.676 ( -0.221 3.427 1.092) 3.604 2.763 ( 0.135 -1.619 -0.114) 1.629 2.763 ( 0.135 1.619 -0.114) 1.629 2.768 ( 1.300 -0.380 -1.140) 1.770 2.768 ( 1.300 0.380 -1.140) 1.770 2.799 ( 0.267 -3.010 -1.805) 3.519 2.799 ( 0.267 3.010 -1.805) 3.519 2.875 ( -1.118 -2.239 -0.299) 2.521 2.875 ( -1.118 2.239 -0.299) 2.521 2.911 ( 1.745 -1.199 -1.395) 2.536 2.911 ( 1.745 1.199 -1.395) 2.536 2.953 ( -1.301 -1.283 -0.540) 1.905 2.953 ( -1.301 1.283 -0.540) 1.905 3.025 ( 0.261 -1.705 -1.018) 2.003 3.025 ( 0.261 1.705 -1.018) 2.003 3.070 ( -1.371 -1.743 -0.391) 2.252 3.070 ( -1.371 1.743 -0.391) 2.252 3.137 ( -0.280 -1.948 -2.564) 3.233 3.137 ( -0.280 1.948 -2.564) 3.233 3.185 ( -0.583 -1.248 2.064) 2.482 3.185 ( -0.583 1.248 2.064) 2.482 3.237 ( 3.020 -2.128 -1.408) 3.954 3.237 ( 3.020 2.128 -1.408) 3.954 3.268 ( -0.665 -2.722 0.734) 2.897 3.268 ( -0.665 2.722 0.734) 2.897 3.341 ( -0.486 -0.967 -0.369) 1.144 3.341 ( -0.486 0.967 -0.369) 1.144 3.424 ( -0.746 -1.593 -0.178) 1.768 3.424 ( -0.746 1.593 -0.178) 1.768 3.496 ( 0.774 -1.001 0.299) 1.300 3.496 ( 0.774 1.001 0.299) 1.300 3.769 ( -0.355 -0.767 -0.635) 1.057 3.769 ( -0.355 0.767 -0.635) 1.057 3.830 ( -0.625 -1.611 -1.033) 2.013 3.830 ( -0.625 1.611 -1.033) 2.013 3.937 ( -0.138 -0.804 1.529) 1.733 3.937 ( -0.138 0.804 1.529) 1.733 3.967 ( -0.479 -1.469 1.506) 2.158 3.967 ( -0.479 1.469 1.506) 2.158 4.034 ( -1.311 -1.271 -0.614) 1.927 4.034 ( -1.311 1.271 -0.614) 1.927 4.138 ( 2.572 -1.901 2.704) 4.188 4.138 ( 2.572 1.901 2.704) 4.188 4.169 ( 0.855 -0.981 0.481) 1.387 4.169 ( 0.855 0.981 0.481) 1.387 4.221 ( 0.471 -2.803 1.520) 3.223 4.221 ( 0.471 2.803 1.520) 3.223 4.275 ( -2.308 -0.954 -0.477) 2.543 4.275 ( -2.308 0.954 -0.477) 2.543 4.334 ( -0.049 -0.599 0.454) 0.753 4.334 ( -0.049 0.599 0.454) 0.753 4.358 ( 0.683 -1.846 0.173) 1.976 4.358 ( 0.683 1.846 0.173) 1.976 4.449 ( 1.011 -2.711 -1.051) 3.078 4.449 ( 1.011 2.711 -1.051) 3.078 4.504 ( -1.682 -1.291 -0.630) 2.212 4.504 ( -1.682 1.291 -0.630) 2.212 4.567 ( 0.804 -0.504 -2.832) 2.987 4.567 ( 0.804 0.504 -2.832) 2.987 4.630 ( -0.041 -0.410 -1.866) 1.911 4.630 ( -0.041 0.410 -1.866) 1.911 4.676 ( -0.800 -0.937 -1.303) 1.793 4.676 ( -0.800 0.937 -1.303) 1.793 5.363 ( -0.610 -1.118 0.458) 1.354 5.363 ( -0.610 1.118 0.458) 1.354 5.410 ( 0.454 -0.552 -0.829) 1.095 5.410 ( 0.454 0.552 -0.829) 1.095 6.252 ( 0.022 -0.380 0.334) 0.506 6.252 ( 0.022 0.380 0.334) 0.506 6.403 ( -0.103 -0.093 0.884) 0.895 6.403 ( -0.103 0.093 0.884) 0.895 8.720 ( -1.586 -0.705 -0.436) 1.790 8.720 ( -1.586 0.705 -0.436) 1.790 8.822 ( 0.764 -3.232 -0.589) 3.373 8.822 ( 0.764 3.232 -0.589) 3.373 13.019 ( 1.012 -0.990 2.296) 2.697 13.019 ( 1.012 0.990 2.296) 2.697 13.146 ( -0.454 -0.357 -0.328) 0.664 13.146 ( -0.454 0.357 -0.328) 0.664 13.210 ( -0.577 -0.691 1.333) 1.609 13.210 ( -0.577 0.691 1.333) 1.609 13.225 ( -0.413 -0.301 0.994) 1.117 13.225 ( -0.413 0.301 0.994) 1.117 13.298 ( -0.177 -1.957 0.323) 1.991 13.298 ( -0.177 1.957 0.323) 1.991 13.345 ( -0.622 -0.978 -2.508) 2.763 13.345 ( -0.622 0.978 -2.508) 2.763 13.421 ( -0.478 -3.155 -1.005) 3.345 13.421 ( -0.478 3.155 -1.005) 3.345 13.461 ( 1.917 -2.852 1.395) 3.709 13.461 ( 1.917 2.852 1.395) 3.709 13.595 ( 0.131 -2.457 -2.284) 3.357 13.595 ( 0.131 2.457 -2.284) 3.357 13.786 ( 1.176 -4.982 -2.624) 5.753 13.786 ( 1.176 4.982 -2.624) 5.753 ======================= Grid point 45 (22/42) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -2.947 0.000 8.890) 9.366 0.618 ( 2.413 0.000 11.135) 11.393 0.653 ( 1.737 0.000 -2.580) 3.110 0.740 ( 1.261 0.000 6.097) 6.226 0.811 ( -1.204 0.000 4.759) 4.909 0.844 ( -1.074 0.000 0.489) 1.181 0.890 ( -0.010 0.000 12.897) 12.897 0.943 ( -0.201 0.000 1.406) 1.420 0.950 ( 0.929 0.000 6.599) 6.664 1.020 ( -2.563 0.000 4.811) 5.452 1.076 ( -1.160 0.000 -2.650) 2.893 1.134 ( 4.727 0.000 4.291) 6.384 1.169 ( 3.765 0.000 1.333) 3.994 1.263 ( -3.748 0.000 -4.504) 5.859 1.273 ( -3.651 0.000 -2.625) 4.497 1.319 ( 0.298 0.000 -0.503) 0.585 1.354 ( 2.947 0.000 -0.557) 2.999 1.392 ( 1.356 0.000 -4.132) 4.349 1.393 ( -2.764 0.000 -7.407) 7.906 1.446 ( -0.402 0.000 -7.500) 7.511 1.446 ( -1.887 0.000 -2.456) 3.097 1.575 ( -0.791 0.000 -2.026) 2.175 1.622 ( 1.101 0.000 -1.452) 1.823 1.685 ( 1.926 0.000 -9.274) 9.472 1.789 ( -2.402 0.000 -0.391) 2.434 1.838 ( -4.549 0.000 2.215) 5.059 1.844 ( -1.684 0.000 1.604) 2.326 1.926 ( -0.526 0.000 -1.887) 1.959 1.955 ( 0.357 0.000 6.955) 6.964 1.960 ( 6.183 0.000 -3.775) 7.244 2.061 ( 5.581 0.000 -2.300) 6.036 2.089 ( 0.595 0.000 2.715) 2.779 2.198 ( -2.612 0.000 4.714) 5.389 2.224 ( -0.618 0.000 2.831) 2.898 2.247 ( -0.909 0.000 1.730) 1.954 2.272 ( 0.078 0.000 0.600) 0.605 2.311 ( 0.184 0.000 3.489) 3.494 2.337 ( -0.406 0.000 2.374) 2.408 2.370 ( 1.200 0.000 -1.074) 1.611 2.400 ( -0.597 0.000 0.533) 0.801 2.441 ( -0.851 0.000 -1.353) 1.599 2.479 ( -0.331 0.000 0.923) 0.980 2.484 ( 0.406 0.000 1.131) 1.201 2.493 ( -1.677 0.000 -0.247) 1.695 2.543 ( 0.353 0.000 1.038) 1.096 2.552 ( 0.131 0.000 -0.187) 0.228 2.576 ( -2.079 0.000 -2.304) 3.103 2.609 ( 2.659 0.000 -2.404) 3.584 2.619 ( 2.064 0.000 1.539) 2.575 2.673 ( -2.550 0.000 -2.578) 3.626 2.725 ( -0.951 0.000 0.626) 1.139 2.732 ( 0.868 0.000 3.057) 3.178 2.760 ( 1.109 0.000 1.876) 2.180 2.762 ( 2.621 0.000 -0.692) 2.711 2.785 ( -1.181 0.000 0.069) 1.183 2.860 ( 0.740 0.000 1.507) 1.679 2.870 ( -0.045 0.000 -1.044) 1.045 2.878 ( 3.150 0.000 -2.133) 3.804 2.897 ( -0.193 0.000 -1.763) 1.773 2.917 ( -1.457 0.000 0.211) 1.473 2.934 ( -0.070 0.000 -0.156) 0.171 2.978 ( -1.015 0.000 -0.120) 1.022 2.988 ( -2.394 0.000 5.123) 5.654 3.032 ( 2.115 0.000 0.709) 2.231 3.055 ( -1.502 0.000 0.923) 1.763 3.104 ( -1.092 0.000 0.131) 1.100 3.157 ( -1.833 0.000 -0.682) 1.956 3.188 ( -1.372 0.000 1.004) 1.700 3.191 ( -0.828 0.000 0.202) 0.852 3.206 ( -0.670 0.000 0.438) 0.800 3.210 ( 2.021 0.000 0.619) 2.113 3.249 ( 0.813 0.000 -1.210) 1.458 3.252 ( 0.945 0.000 -3.506) 3.631 3.291 ( 2.344 0.000 -0.337) 2.368 3.298 ( 0.488 0.000 -3.476) 3.510 3.354 ( -0.536 0.000 -0.970) 1.108 3.393 ( 0.014 0.000 -2.932) 2.932 3.461 ( 1.065 0.000 -2.277) 2.514 3.473 ( -0.974 0.000 1.287) 1.614 3.511 ( -0.005 0.000 -2.978) 2.978 3.726 ( 0.925 0.000 2.922) 3.065 3.742 ( -0.709 0.000 1.923) 2.049 3.808 ( 0.197 0.000 0.284) 0.346 3.839 ( 0.282 0.000 -2.293) 2.310 3.925 ( 1.196 0.000 0.542) 1.313 3.944 ( 0.951 0.000 2.830) 2.986 3.966 ( -1.058 0.000 -1.614) 1.930 4.001 ( 1.038 0.000 1.302) 1.666 4.004 ( -3.069 0.000 0.128) 3.072 4.052 ( -0.445 0.000 0.261) 0.516 4.118 ( -0.486 0.000 2.651) 2.695 4.154 ( 1.331 0.000 -0.694) 1.501 4.164 ( -0.793 0.000 1.273) 1.500 4.188 ( -1.412 0.000 1.669) 2.186 4.216 ( -0.444 0.000 -1.148) 1.231 4.254 ( 0.966 0.000 1.197) 1.538 4.280 ( 0.731 0.000 1.251) 1.449 4.313 ( 2.684 0.000 0.748) 2.786 4.319 ( 0.068 0.000 -1.454) 1.455 4.373 ( -0.581 0.000 0.048) 0.583 4.391 ( 0.627 0.000 -0.353) 0.720 4.407 ( -1.164 0.000 -0.022) 1.164 4.421 ( -0.244 0.000 -0.387) 0.458 4.446 ( -1.251 0.000 1.191) 1.727 4.476 ( -0.216 0.000 -0.515) 0.559 4.519 ( -0.300 0.000 0.416) 0.513 4.538 ( 0.592 0.000 -0.450) 0.743 4.539 ( -0.008 0.000 -2.283) 2.283 4.558 ( 0.035 0.000 -0.291) 0.293 4.598 ( 0.736 0.000 0.004) 0.736 4.615 ( -0.632 0.000 -1.291) 1.437 4.647 ( 0.268 0.000 -3.448) 3.458 5.351 ( -0.044 0.000 1.437) 1.438 5.377 ( -0.441 0.000 -0.235) 0.500 5.381 ( 0.032 0.000 -0.156) 0.159 5.421 ( 0.346 0.000 -1.560) 1.598 6.249 ( -0.000 0.000 0.601) 0.601 6.262 ( -0.025 0.000 0.048) 0.055 6.421 ( -0.084 0.000 1.004) 1.008 6.422 ( 0.039 0.000 0.876) 0.877 8.697 ( 0.078 0.000 -0.132) 0.153 8.711 ( -0.103 0.000 -0.674) 0.681 8.751 ( 0.049 0.000 1.858) 1.859 8.896 ( 0.127 0.000 -5.096) 5.097 13.053 ( 0.027 0.000 1.093) 1.093 13.086 ( 0.140 0.000 -1.388) 1.395 13.107 ( -1.167 0.000 -0.823) 1.428 13.114 ( 0.029 0.000 -0.337) 0.338 13.180 ( 0.484 0.000 0.985) 1.097 13.204 ( 0.261 0.000 0.335) 0.424 13.226 ( -1.448 0.000 2.609) 2.984 13.247 ( 0.031 0.000 2.052) 2.053 13.260 ( 1.544 0.000 2.245) 2.725 13.269 ( -0.285 0.000 1.527) 1.553 13.288 ( -1.488 0.000 0.692) 1.641 13.335 ( -0.895 0.000 -2.378) 2.541 13.377 ( 1.431 0.000 3.165) 3.474 13.416 ( 0.206 0.000 -4.569) 4.574 13.441 ( 1.815 0.000 -4.528) 4.878 13.457 ( -0.840 0.000 4.454) 4.532 13.526 ( -0.265 0.000 -3.703) 3.712 13.642 ( -0.408 0.000 -4.633) 4.651 13.766 ( 1.170 0.000 1.729) 2.088 13.876 ( -0.334 0.000 -3.475) 3.491 ======================= Grid point 46 (23/42) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 3.029 0.000 6.422) 7.100 0.638 ( -0.936 0.000 5.458) 5.538 0.712 ( 2.888 0.000 10.284) 10.682 0.777 ( -4.780 0.000 -1.237) 4.938 0.788 ( 2.509 0.000 5.602) 6.138 0.802 ( 0.583 0.000 0.185) 0.612 0.849 ( -2.334 0.000 11.396) 11.633 0.938 ( -0.497 0.000 -2.525) 2.574 0.945 ( -3.902 0.000 4.187) 5.723 1.015 ( -2.014 0.000 -3.998) 4.477 1.034 ( 3.261 0.000 10.699) 11.185 1.173 ( -0.146 0.000 3.664) 3.667 1.182 ( -7.267 0.000 -5.889) 9.353 1.219 ( -1.181 0.000 -1.539) 1.940 1.283 ( 6.899 0.000 2.965) 7.509 1.308 ( -0.057 0.000 1.435) 1.436 1.343 ( 1.229 0.000 -5.792) 5.921 1.378 ( -2.479 0.000 0.535) 2.536 1.429 ( 0.825 0.000 -2.244) 2.391 1.469 ( 6.024 0.000 -7.021) 9.251 1.469 ( 2.265 0.000 -7.039) 7.394 1.574 ( -0.174 0.000 -2.204) 2.211 1.601 ( -2.549 0.000 -4.129) 4.852 1.632 ( -4.729 0.000 -4.587) 6.588 1.782 ( -1.547 0.000 0.998) 1.841 1.800 ( 0.965 0.000 3.342) 3.479 1.852 ( 2.589 0.000 -2.441) 3.558 1.903 ( -1.574 0.000 -1.478) 2.160 1.990 ( 2.299 0.000 2.345) 3.283 2.018 ( 0.612 0.000 0.280) 0.673 2.094 ( -2.585 0.000 6.858) 7.329 2.133 ( 3.617 0.000 -0.054) 3.617 2.185 ( 0.132 0.000 -0.604) 0.619 2.218 ( 1.652 0.000 1.466) 2.208 2.222 ( -2.141 0.000 2.051) 2.965 2.290 ( 1.544 0.000 2.612) 3.034 2.301 ( -1.471 0.000 4.100) 4.356 2.353 ( 1.916 0.000 0.611) 2.011 2.388 ( -1.407 0.000 -0.466) 1.482 2.402 ( 2.097 0.000 -2.614) 3.351 2.428 ( 0.660 0.000 -0.863) 1.087 2.456 ( -2.203 0.000 0.662) 2.300 2.470 ( -0.696 0.000 1.055) 1.263 2.494 ( 0.532 0.000 1.935) 2.007 2.532 ( -1.910 0.000 -1.438) 2.391 2.543 ( -1.334 0.000 -1.363) 1.907 2.566 ( 1.737 0.000 0.048) 1.737 2.604 ( -2.069 0.000 -1.440) 2.521 2.652 ( 0.653 0.000 0.760) 1.002 2.653 ( 0.363 0.000 -1.125) 1.182 2.713 ( -0.150 0.000 1.321) 1.329 2.747 ( 0.705 0.000 4.155) 4.214 2.761 ( -1.017 0.000 -0.028) 1.017 2.766 ( -1.249 0.000 2.013) 2.369 2.801 ( -0.356 0.000 0.372) 0.516 2.807 ( -3.487 0.000 -1.710) 3.884 2.865 ( 0.629 0.000 -0.469) 0.784 2.894 ( -1.162 0.000 -0.172) 1.175 2.908 ( 1.682 0.000 -0.552) 1.771 2.923 ( 1.735 0.000 1.324) 2.183 2.942 ( -1.344 0.000 2.650) 2.972 2.964 ( -1.039 0.000 -3.483) 3.635 2.966 ( 2.829 0.000 -4.102) 4.982 3.018 ( -3.463 0.000 -1.846) 3.924 3.061 ( 0.652 0.000 0.918) 1.126 3.080 ( -0.761 0.000 0.566) 0.949 3.119 ( -1.827 0.000 0.454) 1.883 3.155 ( -1.040 0.000 -1.705) 1.997 3.176 ( -0.927 0.000 3.700) 3.814 3.229 ( 2.817 0.000 -0.284) 2.831 3.259 ( 2.354 0.000 -0.256) 2.368 3.268 ( 0.941 0.000 0.237) 0.970 3.272 ( 1.433 0.000 -2.041) 2.494 3.303 ( 0.117 0.000 -1.679) 1.683 3.324 ( 0.220 0.000 1.120) 1.142 3.370 ( 2.209 0.000 -2.291) 3.182 3.397 ( -0.217 0.000 -2.035) 2.046 3.463 ( 0.214 0.000 1.306) 1.324 3.481 ( 1.159 0.000 -2.601) 2.847 3.508 ( -0.475 0.000 -3.057) 3.094 3.719 ( -1.461 0.000 1.618) 2.180 3.749 ( 1.059 0.000 2.220) 2.460 3.808 ( -0.100 0.000 0.183) 0.209 3.841 ( -0.058 0.000 -2.486) 2.487 3.935 ( -1.140 0.000 -0.001) 1.140 3.938 ( -2.770 0.000 0.468) 2.810 3.956 ( 1.541 0.000 0.059) 1.542 3.972 ( 0.971 0.000 2.482) 2.665 4.035 ( 2.201 0.000 -0.117) 2.204 4.049 ( 0.145 0.000 1.948) 1.954 4.084 ( -2.605 0.000 1.792) 3.161 4.159 ( -0.231 0.000 2.237) 2.249 4.166 ( -2.094 0.000 -0.345) 2.122 4.185 ( 1.466 0.000 1.228) 1.913 4.187 ( 0.217 0.000 -2.179) 2.190 4.277 ( 1.337 0.000 0.103) 1.341 4.298 ( 0.617 0.000 1.903) 2.000 4.347 ( 1.706 0.000 -0.298) 1.731 4.359 ( -1.215 0.000 -1.568) 1.984 4.360 ( -2.392 0.000 1.412) 2.778 4.375 ( 1.731 0.000 -0.068) 1.732 4.392 ( 0.584 0.000 -0.126) 0.597 4.417 ( -0.522 0.000 0.869) 1.013 4.436 ( 0.892 0.000 0.294) 0.939 4.480 ( 0.692 0.000 -0.640) 0.943 4.502 ( -1.803 0.000 -0.239) 1.818 4.541 ( 0.329 0.000 -1.039) 1.090 4.543 ( -0.437 0.000 0.426) 0.610 4.557 ( 0.247 0.000 -1.531) 1.551 4.600 ( -0.611 0.000 0.363) 0.710 4.606 ( -0.216 0.000 -2.304) 2.314 4.648 ( 0.221 0.000 -3.367) 3.374 5.356 ( 0.432 0.000 1.078) 1.161 5.374 ( 0.117 0.000 -0.362) 0.380 5.377 ( -0.420 0.000 0.093) 0.431 5.419 ( -0.469 0.000 -1.209) 1.297 6.251 ( 0.089 0.000 0.585) 0.592 6.262 ( 0.023 0.000 0.066) 0.070 6.422 ( 0.087 0.000 0.988) 0.992 6.423 ( 0.009 0.000 0.910) 0.910 8.710 ( 0.051 0.000 -0.696) 0.698 8.727 ( 2.696 0.000 -1.017) 2.882 8.754 ( 0.123 0.000 1.953) 1.957 8.880 ( -1.510 0.000 -4.937) 5.163 13.056 ( 0.277 0.000 1.750) 1.772 13.080 ( -0.309 0.000 -0.751) 0.812 13.085 ( -0.928 0.000 -1.663) 1.904 13.137 ( 1.905 0.000 0.835) 2.080 13.185 ( -1.976 0.000 -0.144) 1.981 13.188 ( 0.550 0.000 1.234) 1.351 13.229 ( 1.553 0.000 0.632) 1.677 13.230 ( -2.151 0.000 1.400) 2.566 13.258 ( 0.487 0.000 1.942) 2.002 13.273 ( 0.608 0.000 1.221) 1.364 13.307 ( 0.933 0.000 1.644) 1.890 13.310 ( -1.395 0.000 -0.641) 1.535 13.390 ( -0.011 0.000 1.740) 1.740 13.441 ( -0.573 0.000 4.504) 4.540 13.455 ( 3.100 0.000 -3.108) 4.390 13.491 ( 1.802 0.000 -5.185) 5.489 13.516 ( 0.864 0.000 -3.521) 3.626 13.618 ( -2.032 0.000 -3.736) 4.253 13.753 ( -2.239 0.000 1.956) 2.973 13.850 ( -1.846 0.000 -3.710) 4.144 ======================= Grid point 47 (24/42) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.656 0.000 6.371) 6.405 0.597 ( 3.570 0.000 5.460) 6.523 0.686 ( -4.754 0.000 3.804) 6.089 0.729 ( -2.651 0.000 0.188) 2.658 0.794 ( -2.841 0.000 3.579) 4.569 0.822 ( 2.721 0.000 7.798) 8.259 0.852 ( 2.964 0.000 3.533) 4.612 0.879 ( -2.130 0.000 5.083) 5.511 0.920 ( -1.990 0.000 -0.259) 2.006 1.040 ( 0.670 0.000 -5.268) 5.311 1.081 ( 1.337 0.000 -4.539) 4.731 1.093 ( 0.746 0.000 9.716) 9.745 1.157 ( -1.187 0.000 0.938) 1.512 1.214 ( 1.021 0.000 4.820) 4.927 1.313 ( -0.739 0.000 2.759) 2.857 1.336 ( -0.427 0.000 1.605) 1.660 1.340 ( -2.686 0.000 -4.817) 5.515 1.397 ( 5.250 0.000 -0.719) 5.299 1.460 ( 2.181 0.000 -4.747) 5.224 1.481 ( -0.736 0.000 -3.051) 3.138 1.545 ( -2.658 0.000 -5.000) 5.662 1.550 ( -3.350 0.000 -3.489) 4.837 1.574 ( 4.596 0.000 -6.566) 8.014 1.586 ( 1.634 0.000 -7.557) 7.731 1.784 ( 1.505 0.000 -0.177) 1.516 1.821 ( 1.683 0.000 -0.029) 1.683 1.882 ( 0.070 0.000 -0.371) 0.378 1.891 ( 0.939 0.000 0.600) 1.114 1.979 ( -3.369 0.000 4.608) 5.708 2.028 ( 0.038 0.000 2.318) 2.318 2.059 ( -1.861 0.000 5.628) 5.928 2.106 ( -5.402 0.000 3.876) 6.649 2.190 ( 0.933 0.000 1.515) 1.779 2.231 ( 2.060 0.000 -0.343) 2.088 2.238 ( -0.078 0.000 2.504) 2.505 2.293 ( 0.830 0.000 1.006) 1.304 2.308 ( 0.032 0.000 3.148) 3.148 2.373 ( 0.335 0.000 -0.225) 0.403 2.396 ( -2.999 0.000 -3.371) 4.512 2.402 ( 3.039 0.000 -1.806) 3.535 2.445 ( 0.594 0.000 -1.156) 1.300 2.452 ( 1.266 0.000 0.422) 1.334 2.459 ( 0.269 0.000 0.141) 0.303 2.494 ( -1.147 0.000 0.407) 1.217 2.514 ( 0.694 0.000 1.833) 1.960 2.517 ( -0.523 0.000 0.935) 1.071 2.580 ( -1.132 0.000 -1.150) 1.614 2.610 ( 2.266 0.000 0.173) 2.272 2.637 ( -1.686 0.000 -0.722) 1.834 2.654 ( 0.872 0.000 -0.687) 1.110 2.724 ( -2.833 0.000 3.307) 4.355 2.724 ( 0.441 0.000 0.521) 0.682 2.747 ( 0.625 0.000 1.102) 1.267 2.756 ( -1.095 0.000 3.541) 3.706 2.773 ( -0.502 0.000 -1.447) 1.532 2.790 ( 1.623 0.000 -0.128) 1.628 2.873 ( -1.507 0.000 0.369) 1.552 2.903 ( 0.652 0.000 -2.314) 2.404 2.904 ( -1.779 0.000 -0.522) 1.854 2.910 ( -2.751 0.000 -4.547) 5.315 2.943 ( 1.488 0.000 1.507) 2.118 2.963 ( 1.487 0.000 2.666) 3.053 2.988 ( -0.510 0.000 -1.662) 1.738 3.001 ( 2.512 0.000 -4.261) 4.946 3.068 ( -0.574 0.000 -1.103) 1.243 3.087 ( 2.681 0.000 -1.352) 3.003 3.103 ( 0.352 0.000 0.830) 0.901 3.151 ( 0.240 0.000 -1.591) 1.609 3.172 ( 0.455 0.000 2.977) 3.012 3.259 ( -1.763 0.000 -0.226) 1.777 3.264 ( 0.806 0.000 -0.570) 0.987 3.270 ( -1.580 0.000 2.509) 2.965 3.281 ( -1.123 0.000 -0.760) 1.357 3.321 ( -0.216 0.000 -0.400) 0.455 3.336 ( 3.786 0.000 -0.702) 3.850 3.368 ( -2.957 0.000 -0.414) 2.986 3.400 ( 0.446 0.000 -1.339) 1.411 3.474 ( 0.582 0.000 0.818) 1.003 3.476 ( -1.577 0.000 -4.746) 5.001 3.510 ( 0.834 0.000 -1.325) 1.565 3.709 ( 0.584 0.000 2.329) 2.401 3.749 ( -1.261 0.000 1.889) 2.271 3.806 ( -0.108 0.000 -0.098) 0.146 3.836 ( -0.198 0.000 -2.691) 2.698 3.902 ( -0.671 0.000 0.264) 0.721 3.922 ( -0.236 0.000 0.329) 0.405 3.988 ( 0.591 0.000 1.978) 2.065 3.998 ( 2.258 0.000 -0.300) 2.277 4.028 ( -2.399 0.000 0.823) 2.536 4.064 ( 1.285 0.000 2.267) 2.606 4.081 ( 1.729 0.000 0.465) 1.791 4.128 ( -1.026 0.000 0.170) 1.040 4.168 ( 0.909 0.000 1.951) 2.152 4.180 ( -1.072 0.000 -1.580) 1.909 4.217 ( 1.299 0.000 1.814) 2.231 4.272 ( -3.013 0.000 2.698) 4.044 4.316 ( 1.339 0.000 -1.990) 2.399 4.321 ( -0.473 0.000 0.926) 1.040 4.327 ( -1.019 0.000 -0.579) 1.172 4.357 ( 0.171 0.000 0.320) 0.363 4.392 ( -0.977 0.000 -0.685) 1.193 4.406 ( -0.632 0.000 1.256) 1.407 4.427 ( 2.122 0.000 -1.352) 2.516 4.458 ( -0.190 0.000 1.518) 1.530 4.488 ( 1.945 0.000 -0.712) 2.071 4.499 ( 1.161 0.000 -0.579) 1.298 4.524 ( -1.403 0.000 0.328) 1.441 4.542 ( -0.157 0.000 -1.613) 1.621 4.562 ( -0.087 0.000 -1.935) 1.937 4.582 ( -0.859 0.000 1.021) 1.334 4.608 ( 0.653 0.000 -2.876) 2.949 4.649 ( -0.191 0.000 -2.926) 2.932 5.365 ( 0.180 0.000 1.552) 1.563 5.368 ( -0.223 0.000 -0.516) 0.562 5.381 ( 0.645 0.000 -1.091) 1.267 5.408 ( -0.490 0.000 -0.404) 0.635 6.252 ( -0.025 0.000 0.567) 0.568 6.263 ( 0.022 0.000 0.083) 0.086 6.423 ( -0.081 0.000 0.942) 0.946 6.423 ( 0.033 0.000 0.984) 0.984 8.712 ( 0.114 0.000 -0.205) 0.235 8.755 ( -0.120 0.000 1.546) 1.550 8.761 ( 0.046 0.000 -2.925) 2.926 8.856 ( 0.051 0.000 -3.513) 3.514 13.057 ( -0.330 0.000 0.859) 0.920 13.076 ( -0.154 0.000 -1.107) 1.118 13.087 ( 1.313 0.000 -0.217) 1.330 13.153 ( -1.245 0.000 -1.212) 1.738 13.175 ( 1.750 0.000 0.906) 1.971 13.188 ( -1.441 0.000 -0.286) 1.469 13.210 ( 0.674 0.000 1.839) 1.959 13.258 ( 1.101 0.000 -0.521) 1.218 13.264 ( -0.283 0.000 2.438) 2.454 13.270 ( -1.048 0.000 0.458) 1.143 13.315 ( 1.949 0.000 2.468) 3.145 13.315 ( 0.389 0.000 2.234) 2.268 13.383 ( -1.025 0.000 3.219) 3.378 13.429 ( -0.454 0.000 0.542) 0.707 13.471 ( -1.574 0.000 -4.941) 5.186 13.495 ( 0.381 0.000 -1.429) 1.479 13.566 ( -1.937 0.000 -3.836) 4.297 13.580 ( 2.786 0.000 -2.909) 4.027 13.715 ( -1.325 0.000 2.410) 2.750 13.832 ( 0.612 0.000 -3.554) 3.607 ======================= Grid point 48 (25/42) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -5.957 0.000 8.060) 10.023 0.578 ( 0.596 0.000 9.200) 9.220 0.668 ( -2.659 0.000 -3.816) 4.651 0.724 ( 2.936 0.000 3.340) 4.447 0.791 ( 3.810 0.000 4.399) 5.819 0.837 ( -2.052 0.000 4.611) 5.047 0.842 ( 0.325 0.000 5.117) 5.128 0.921 ( 2.636 0.000 5.664) 6.247 0.965 ( 6.909 0.000 1.908) 7.168 1.030 ( -5.977 0.000 9.944) 11.602 1.041 ( 1.823 0.000 0.278) 1.844 1.122 ( -2.982 0.000 3.546) 4.633 1.155 ( 1.801 0.000 -4.563) 4.905 1.270 ( 3.523 0.000 0.317) 3.537 1.298 ( 0.663 0.000 -7.356) 7.386 1.316 ( 1.044 0.000 4.708) 4.823 1.329 ( -1.278 0.000 -1.298) 1.822 1.397 ( -4.995 0.000 -1.271) 5.154 1.456 ( -0.023 0.000 -3.940) 3.940 1.478 ( -2.792 0.000 -6.141) 6.746 1.489 ( -2.798 0.000 -5.273) 5.969 1.558 ( 5.184 0.000 -3.004) 5.991 1.603 ( -0.999 0.000 -3.364) 3.509 1.630 ( 2.828 0.000 -9.715) 10.119 1.841 ( -1.137 0.000 -0.987) 1.506 1.843 ( 5.483 0.000 -3.651) 6.587 1.898 ( -2.454 0.000 3.057) 3.920 1.904 ( 0.839 0.000 -0.750) 1.125 1.925 ( 1.489 0.000 0.632) 1.618 1.955 ( -5.978 0.000 5.779) 8.315 2.020 ( -1.966 0.000 7.250) 7.512 2.074 ( 0.881 0.000 0.638) 1.088 2.204 ( 0.762 0.000 1.950) 2.094 2.245 ( -0.429 0.000 3.309) 3.337 2.254 ( 0.505 0.000 1.906) 1.972 2.291 ( -1.944 0.000 0.178) 1.953 2.300 ( 0.292 0.000 2.338) 2.356 2.347 ( -1.103 0.000 0.005) 1.103 2.396 ( -3.788 0.000 1.021) 3.924 2.399 ( 1.523 0.000 -0.871) 1.755 2.447 ( -0.223 0.000 -0.527) 0.572 2.463 ( 2.523 0.000 -2.041) 3.245 2.480 ( -0.127 0.000 -0.048) 0.136 2.503 ( 1.189 0.000 -0.504) 1.291 2.537 ( 1.356 0.000 2.785) 3.097 2.539 ( 1.891 0.000 0.706) 2.019 2.565 ( 0.430 0.000 -0.817) 0.924 2.584 ( -1.933 0.000 0.832) 2.104 2.639 ( -1.595 0.000 -1.227) 2.012 2.683 ( 1.447 0.000 -1.430) 2.035 2.698 ( 1.408 0.000 1.600) 2.132 2.724 ( 0.255 0.000 0.230) 0.343 2.745 ( -0.359 0.000 2.954) 2.975 2.767 ( -0.011 0.000 1.708) 1.708 2.803 ( -0.653 0.000 -1.989) 2.093 2.805 ( 3.593 0.000 -3.517) 5.028 2.837 ( -0.557 0.000 2.493) 2.555 2.869 ( 0.045 0.000 -1.140) 1.141 2.896 ( 0.474 0.000 -0.960) 1.070 2.919 ( 0.568 0.000 -0.917) 1.079 2.962 ( -1.982 0.000 -0.901) 2.178 2.983 ( 2.527 0.000 2.090) 3.280 2.986 ( 1.017 0.000 3.029) 3.195 3.010 ( -1.764 0.000 -1.245) 2.159 3.094 ( 2.243 0.000 -1.342) 2.614 3.110 ( -1.893 0.000 0.408) 1.936 3.135 ( 3.387 0.000 -3.182) 4.647 3.173 ( 2.404 0.000 0.769) 2.524 3.186 ( 0.648 0.000 0.049) 0.650 3.214 ( -1.576 0.000 0.002) 1.576 3.237 ( -2.612 0.000 0.342) 2.634 3.244 ( -1.044 0.000 0.603) 1.206 3.271 ( -1.372 0.000 -1.341) 1.918 3.297 ( -2.175 0.000 0.066) 2.176 3.306 ( -2.242 0.000 -0.585) 2.317 3.380 ( -1.894 0.000 -0.883) 2.090 3.391 ( 1.457 0.000 -2.086) 2.545 3.451 ( -0.367 0.000 -3.868) 3.886 3.482 ( 0.065 0.000 0.705) 0.708 3.516 ( -0.132 0.000 -2.127) 2.131 3.724 ( -0.959 0.000 2.583) 2.756 3.734 ( 1.387 0.000 2.777) 3.104 3.805 ( 0.003 0.000 -0.086) 0.086 3.835 ( 0.212 0.000 -2.471) 2.480 3.906 ( 0.825 0.000 0.299) 0.877 3.926 ( 0.629 0.000 1.148) 1.309 3.989 ( -1.065 0.000 -1.835) 2.122 3.996 ( -0.541 0.000 3.380) 3.423 4.026 ( 0.655 0.000 0.057) 0.658 4.067 ( -0.971 0.000 -0.541) 1.111 4.108 ( 1.072 0.000 1.499) 1.843 4.146 ( 0.458 0.000 1.935) 1.989 4.168 ( 2.188 0.000 -0.878) 2.357 4.182 ( -0.076 0.000 2.047) 2.048 4.204 ( -1.243 0.000 1.541) 1.980 4.267 ( 1.222 0.000 2.890) 3.138 4.281 ( -2.242 0.000 -1.949) 2.970 4.303 ( -1.576 0.000 -0.499) 1.653 4.331 ( -0.715 0.000 -0.122) 0.725 4.376 ( 0.297 0.000 -0.465) 0.552 4.376 ( 0.807 0.000 -0.497) 0.948 4.402 ( 0.517 0.000 1.744) 1.819 4.444 ( -0.697 0.000 -2.078) 2.192 4.455 ( -0.114 0.000 2.118) 2.121 4.487 ( -1.122 0.000 -0.805) 1.381 4.521 ( 0.768 0.000 -0.403) 0.867 4.528 ( 0.736 0.000 0.660) 0.988 4.538 ( -0.037 0.000 -2.744) 2.744 4.553 ( 0.068 0.000 -0.805) 0.808 4.583 ( 0.606 0.000 -0.033) 0.606 4.623 ( 0.486 0.000 -1.739) 1.806 4.641 ( -0.092 0.000 -3.101) 3.102 5.356 ( -0.515 0.000 1.329) 1.425 5.377 ( 0.449 0.000 -0.184) 0.485 5.386 ( -0.294 0.000 -0.987) 1.030 5.409 ( 0.741 0.000 -0.687) 1.010 6.250 ( -0.119 0.000 0.579) 0.591 6.263 ( -0.026 0.000 0.065) 0.070 6.422 ( -0.052 0.000 0.909) 0.910 6.423 ( -0.130 0.000 0.990) 0.998 8.713 ( -0.022 0.000 -0.136) 0.138 8.725 ( -2.675 0.000 -1.930) 3.298 8.752 ( -0.212 0.000 1.405) 1.421 8.879 ( 1.741 0.000 -3.955) 4.321 13.053 ( -0.091 0.000 0.659) 0.665 13.077 ( 0.443 0.000 -1.343) 1.414 13.115 ( 0.900 0.000 0.568) 1.064 13.131 ( -1.183 0.000 -1.762) 2.123 13.168 ( -0.005 0.000 -0.438) 0.438 13.198 ( 0.623 0.000 1.036) 1.209 13.229 ( 1.143 0.000 1.242) 1.688 13.248 ( -1.112 0.000 1.280) 1.696 13.252 ( -0.747 0.000 2.406) 2.519 13.270 ( 0.255 0.000 0.867) 0.904 13.321 ( -0.711 0.000 3.053) 3.135 13.341 ( 0.348 0.000 -0.000) 0.348 13.362 ( -0.620 0.000 3.021) 3.084 13.424 ( -0.320 0.000 -3.637) 3.652 13.443 ( -1.231 0.000 -4.740) 4.897 13.476 ( -1.565 0.000 2.190) 2.691 13.530 ( -0.601 0.000 -3.125) 3.183 13.631 ( 1.965 0.000 -4.601) 5.003 13.724 ( 2.188 0.000 2.943) 3.667 13.861 ( 1.904 0.000 -3.332) 3.837 ======================= Grid point 49 (26/42) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -4.749 4.890 9.800) 11.937 0.625 ( 1.873 1.816 11.842) 12.126 0.695 ( 1.398 3.476 -1.457) 4.020 0.777 ( 2.012 1.508 3.429) 4.252 0.817 ( -2.055 1.861 6.469) 7.038 0.862 ( -0.229 -0.439 -3.253) 3.290 0.882 ( 1.150 -0.090 0.280) 1.187 0.960 ( 0.715 -2.983 3.858) 4.929 0.987 ( 1.508 0.649 3.603) 3.959 1.044 ( -2.640 0.225 0.149) 2.654 1.062 ( -1.749 7.559 6.883) 10.371 1.133 ( 1.907 0.638 0.791) 2.161 1.159 ( 2.179 0.716 3.221) 3.954 1.210 ( 3.190 -6.379 -5.692) 9.125 1.262 ( -2.320 -2.710 0.128) 3.569 1.292 ( -0.262 -3.508 -0.510) 3.554 1.347 ( -0.956 3.648 -0.685) 3.833 1.361 ( -1.892 -2.720 -4.043) 5.227 1.379 ( -0.898 -1.959 -7.507) 7.810 1.435 ( 0.995 0.517 -3.532) 3.706 1.480 ( -1.798 4.428 -4.958) 6.886 1.544 ( 0.137 -5.106 -2.063) 5.509 1.629 ( -0.429 0.200 -1.719) 1.783 1.703 ( 4.566 -5.351 -5.138) 8.711 1.725 ( -2.196 0.557 0.834) 2.414 1.811 ( -3.215 -1.015 1.780) 3.813 1.835 ( -3.701 -1.985 1.313) 4.400 1.876 ( 1.941 -5.193 0.284) 5.551 1.914 ( 1.585 -0.123 0.451) 1.652 1.946 ( -0.088 -1.242 3.059) 3.303 2.052 ( 3.847 -2.042 -1.504) 4.608 2.062 ( 3.150 -1.153 -2.041) 3.927 2.170 ( -4.287 -1.536 6.033) 7.559 2.196 ( -0.172 -1.514 3.178) 3.525 2.286 ( 0.204 2.476 3.306) 4.135 2.293 ( -0.389 1.317 3.598) 3.851 2.331 ( 1.198 -0.407 1.990) 2.358 2.343 ( -0.545 0.285 -3.233) 3.291 2.374 ( 0.419 1.301 -0.128) 1.373 2.425 ( -0.465 0.160 0.404) 0.636 2.453 ( -0.512 0.899 0.286) 1.074 2.474 ( 0.212 0.155 3.769) 3.778 2.502 ( 0.328 2.236 -1.653) 2.801 2.522 ( -0.557 2.745 3.559) 4.529 2.542 ( -0.153 1.636 -1.064) 1.957 2.587 ( 0.298 1.300 0.708) 1.510 2.616 ( -1.169 2.911 -0.866) 3.254 2.638 ( 0.677 2.294 -1.604) 2.880 2.662 ( -1.132 2.287 0.597) 2.620 2.687 ( -1.284 0.947 -1.311) 2.065 2.715 ( 0.617 1.190 -0.396) 1.398 2.746 ( 0.871 1.007 -0.847) 1.578 2.766 ( 0.265 -0.042 2.959) 2.971 2.787 ( 1.938 0.055 -0.112) 1.942 2.795 ( 2.771 1.452 -0.945) 3.268 2.821 ( -1.172 -2.017 -3.360) 4.091 2.842 ( 0.953 -1.190 1.907) 2.441 2.876 ( -0.285 -0.887 0.019) 0.932 2.900 ( -0.072 -0.509 -0.343) 0.618 2.904 ( -1.559 0.107 -1.112) 1.918 2.946 ( 0.369 0.342 -1.440) 1.525 2.970 ( -1.974 -1.267 1.031) 2.562 2.990 ( 0.294 -1.071 1.824) 2.135 3.019 ( -0.827 0.840 1.858) 2.200 3.044 ( 1.525 -2.440 -1.925) 3.462 3.078 ( -0.112 -1.856 0.377) 1.897 3.111 ( -1.146 -1.376 0.242) 1.807 3.161 ( 2.060 -0.913 -1.363) 2.633 3.171 ( -0.565 -2.306 -1.679) 2.908 3.210 ( -0.699 -1.050 -0.824) 1.507 3.225 ( -1.835 1.414 1.201) 2.609 3.243 ( -2.444 0.115 -0.955) 2.627 3.266 ( -0.915 -0.106 -0.585) 1.091 3.288 ( 2.562 -0.294 -0.707) 2.674 3.309 ( 1.217 0.133 -2.403) 2.697 3.323 ( 2.072 -0.264 -0.592) 2.171 3.430 ( 1.529 -0.503 -0.364) 1.650 3.447 ( 0.148 0.375 0.738) 0.840 3.478 ( -0.748 1.111 -0.918) 1.624 3.512 ( -0.745 -0.299 -1.755) 1.930 3.740 ( 0.170 0.934 1.764) 2.003 3.768 ( 0.378 2.260 1.631) 2.813 3.811 ( 0.041 -0.018 0.811) 0.813 3.826 ( -0.211 -1.129 -2.056) 2.355 3.945 ( 0.402 1.510 0.993) 1.851 3.957 ( 0.623 1.211 1.801) 2.258 3.973 ( -0.420 0.641 -0.994) 1.255 3.994 ( -0.028 -0.322 1.756) 1.785 4.006 ( -1.837 0.168 -0.034) 1.845 4.040 ( -0.199 -0.986 1.302) 1.646 4.130 ( 0.411 1.182 -0.250) 1.276 4.159 ( -1.409 0.729 -0.093) 1.589 4.183 ( -1.230 0.206 2.028) 2.381 4.193 ( 1.335 1.692 1.177) 2.456 4.238 ( -1.320 0.392 -0.688) 1.539 4.256 ( 2.804 0.823 1.345) 3.217 4.286 ( 0.023 0.277 1.259) 1.289 4.296 ( 1.627 -0.771 0.718) 1.939 4.332 ( 0.985 0.254 -1.414) 1.742 4.354 ( -0.246 -1.560 1.988) 2.538 4.368 ( -0.542 -0.917 0.193) 1.083 4.394 ( -1.032 -0.915 -1.831) 2.292 4.431 ( 1.413 0.325 0.332) 1.487 4.446 ( -1.478 0.491 -1.784) 2.368 4.463 ( -1.293 -0.173 0.270) 1.332 4.502 ( -0.463 -1.620 -0.801) 1.865 4.509 ( -0.170 -1.772 0.049) 1.781 4.523 ( 0.115 -2.714 -2.225) 3.511 4.582 ( 0.677 2.067 -0.871) 2.343 4.605 ( 0.785 0.573 -0.843) 1.286 4.632 ( -0.312 0.769 -1.587) 1.791 4.649 ( 0.006 0.055 -2.197) 2.198 5.357 ( -0.014 0.464 1.015) 1.116 5.374 ( -0.247 -0.268 -0.063) 0.369 5.386 ( -0.071 0.435 -0.320) 0.545 5.412 ( 0.187 -0.741 -1.127) 1.361 6.253 ( -0.007 0.293 0.520) 0.597 6.262 ( -0.016 -0.065 0.126) 0.143 6.421 ( -0.034 -0.005 0.978) 0.978 6.422 ( 0.030 -0.025 0.859) 0.860 8.700 ( 0.151 0.298 0.053) 0.338 8.713 ( 0.073 -0.027 -0.104) 0.130 8.763 ( -0.104 1.360 0.581) 1.483 8.864 ( 0.010 -2.731 -3.626) 4.540 13.053 ( -0.583 0.253 1.291) 1.439 13.090 ( -0.449 -0.933 -0.098) 1.040 13.105 ( 0.533 1.497 -0.539) 1.678 13.133 ( -0.476 0.369 0.251) 0.653 13.199 ( 0.503 2.056 0.108) 2.119 13.210 ( -0.621 0.851 -0.012) 1.054 13.226 ( -0.490 0.219 1.358) 1.460 13.257 ( 1.066 -0.848 1.117) 1.762 13.269 ( 0.017 0.708 2.318) 2.424 13.290 ( -0.350 2.437 1.170) 2.726 13.306 ( -0.239 1.153 -0.244) 1.202 13.345 ( -0.378 1.215 -1.581) 2.030 13.372 ( 0.470 -0.969 2.100) 2.360 13.401 ( 0.593 -1.080 -2.988) 3.232 13.451 ( 0.689 1.014 -2.879) 3.129 13.472 ( -0.058 1.708 2.418) 2.961 13.533 ( -0.532 0.371 -3.945) 3.998 13.629 ( -0.295 -1.277 -3.484) 3.723 13.721 ( 0.872 -2.998 1.536) 3.480 13.833 ( -0.228 -4.003 -3.540) 5.348 ======================= Grid point 50 (27/42) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.344 2.260 10.423) 10.671 0.657 ( -0.202 0.409 6.123) 6.140 0.718 ( -1.918 3.736 2.356) 4.815 0.742 ( 0.563 0.200 1.624) 1.730 0.847 ( -1.036 1.732 -3.869) 4.363 0.864 ( 4.629 1.592 5.344) 7.248 0.890 ( -1.363 -3.429 -0.811) 3.778 0.943 ( -1.030 3.167 2.288) 4.040 0.975 ( -3.475 0.365 4.336) 5.569 1.011 ( -0.752 1.648 3.795) 4.205 1.062 ( 1.085 7.892 5.771) 9.837 1.109 ( -4.401 -2.899 -5.048) 7.297 1.204 ( 1.516 -1.623 -2.075) 3.039 1.213 ( -1.137 -4.479 0.262) 4.628 1.246 ( 1.208 -3.973 2.558) 4.877 1.264 ( -1.668 2.481 2.095) 3.651 1.348 ( 1.104 -0.953 -1.442) 2.051 1.364 ( 0.642 2.413 -4.234) 4.915 1.405 ( 3.250 -4.313 -4.270) 6.884 1.444 ( 0.825 -2.676 -1.193) 3.044 1.496 ( 2.482 1.614 -5.235) 6.014 1.551 ( 1.527 -1.009 -2.881) 3.413 1.586 ( -2.999 -0.098 -3.965) 4.973 1.679 ( -3.116 2.359 0.340) 3.923 1.764 ( -0.239 -3.082 -0.250) 3.101 1.771 ( -2.016 -2.661 0.481) 3.373 1.811 ( 4.370 -2.245 -1.820) 5.239 1.869 ( -1.711 -2.941 0.371) 3.423 1.953 ( 0.793 -1.700 4.062) 4.475 1.966 ( 2.183 -3.725 -2.433) 4.956 2.059 ( -1.219 -2.907 2.322) 3.915 2.107 ( -2.516 -1.326 4.731) 5.520 2.143 ( 2.640 -1.932 -1.137) 3.464 2.207 ( 1.564 -2.374 4.200) 5.072 2.266 ( -1.931 1.860 3.111) 4.107 2.276 ( -0.795 2.500 0.240) 2.634 2.340 ( 0.095 1.736 2.550) 3.086 2.354 ( 1.619 0.287 -0.654) 1.770 2.404 ( 0.621 1.489 0.283) 1.638 2.431 ( 2.025 0.898 1.607) 2.736 2.450 ( 0.768 1.296 -0.911) 1.760 2.487 ( -0.145 1.076 2.770) 2.975 2.499 ( -0.297 1.155 -1.918) 2.258 2.520 ( 0.621 2.676 2.722) 3.868 2.541 ( -0.561 1.997 -0.261) 2.091 2.567 ( -2.012 2.149 0.795) 3.049 2.577 ( -1.893 0.550 -0.432) 2.018 2.634 ( -0.024 1.574 -0.527) 1.660 2.651 ( -1.046 1.187 -2.090) 2.621 2.678 ( 0.421 0.198 -0.607) 0.765 2.713 ( -0.939 2.191 -0.195) 2.392 2.754 ( -0.654 -0.810 -0.474) 1.144 2.773 ( 0.371 0.795 1.628) 1.850 2.795 ( -1.101 1.043 0.422) 1.574 2.803 ( -0.332 2.742 -0.400) 2.790 2.835 ( -2.083 -2.585 -2.332) 4.057 2.842 ( -1.443 0.466 3.189) 3.531 2.847 ( 0.760 -1.152 1.144) 1.793 2.875 ( 1.383 -1.370 -1.152) 2.262 2.920 ( -0.065 0.151 0.426) 0.457 2.936 ( -0.005 -1.243 0.936) 1.556 2.959 ( 1.227 0.393 -2.814) 3.095 2.980 ( -0.646 -0.788 -1.387) 1.721 3.021 ( 0.058 -0.472 -0.916) 1.033 3.053 ( -1.150 0.441 -2.379) 2.679 3.066 ( -0.696 -2.551 -0.310) 2.662 3.111 ( 0.256 -0.196 -0.461) 0.562 3.159 ( -1.213 -1.281 -2.336) 2.927 3.170 ( -0.785 0.019 1.302) 1.521 3.180 ( -0.632 -3.855 -0.818) 3.991 3.217 ( 1.351 -0.765 0.181) 1.563 3.233 ( 1.063 -0.591 -0.706) 1.405 3.284 ( 2.025 -0.224 -0.458) 2.088 3.312 ( 0.223 0.230 1.691) 1.721 3.339 ( 0.951 0.721 -0.190) 1.208 3.360 ( 2.193 -0.704 -1.640) 2.828 3.449 ( -1.134 0.259 0.186) 1.178 3.449 ( -0.504 2.182 -0.486) 2.292 3.477 ( 2.377 -0.579 -0.121) 2.450 3.506 ( -0.020 -0.810 -1.516) 1.719 3.728 ( -1.211 1.287 0.761) 1.924 3.776 ( 0.251 1.843 1.387) 2.320 3.808 ( -0.191 -0.055 -0.209) 0.289 3.823 ( -0.015 -1.793 -1.717) 2.483 3.939 ( -0.872 0.892 0.518) 1.351 3.957 ( -0.232 1.082 1.398) 1.783 3.970 ( -0.787 1.217 0.169) 1.459 3.990 ( 1.107 1.584 1.761) 2.614 4.012 ( 1.365 -1.067 -0.125) 1.737 4.057 ( 2.002 -0.138 2.170) 2.955 4.110 ( -2.016 2.351 1.705) 3.535 4.154 ( 0.036 -0.460 -0.331) 0.568 4.165 ( -0.434 0.372 1.566) 1.668 4.203 ( -1.579 1.517 -2.153) 3.071 4.224 ( 1.043 2.296 1.150) 2.772 4.288 ( 0.505 0.236 0.211) 0.596 4.293 ( 0.688 0.259 1.618) 1.778 4.317 ( -0.892 -2.986 1.508) 3.462 4.339 ( -0.496 -1.187 0.729) 1.479 4.353 ( 0.530 -1.775 0.695) 1.978 4.366 ( 0.449 -1.641 -0.843) 1.899 4.373 ( -0.580 1.151 -1.171) 1.742 4.418 ( -0.765 1.069 -1.663) 2.120 4.441 ( -0.791 -1.567 0.713) 1.895 4.458 ( 1.455 1.044 -0.558) 1.876 4.491 ( -0.615 -1.670 -0.841) 1.969 4.516 ( 0.886 -1.880 -0.438) 2.123 4.526 ( 0.215 -2.428 -1.612) 2.922 4.588 ( -0.198 2.204 -1.244) 2.538 4.618 ( 0.576 1.081 -0.943) 1.546 4.622 ( -0.898 1.272 -1.455) 2.131 4.651 ( 0.506 0.064 -2.367) 2.422 5.361 ( 0.421 0.447 0.682) 0.918 5.373 ( 0.156 -0.067 -0.303) 0.347 5.382 ( -0.356 0.405 -0.029) 0.540 5.409 ( -0.383 -0.783 -0.851) 1.218 6.253 ( 0.059 0.254 0.518) 0.580 6.262 ( 0.011 -0.063 0.146) 0.159 6.422 ( 0.090 0.029 0.943) 0.948 6.423 ( 0.031 -0.012 0.876) 0.876 8.714 ( 0.078 0.247 -0.501) 0.564 8.723 ( 1.967 -0.282 -0.666) 2.096 8.764 ( 0.154 1.123 1.003) 1.513 8.851 ( -1.066 -2.409 -3.457) 4.346 13.042 ( -0.534 -0.463 1.561) 1.713 13.067 ( -0.858 -0.632 0.293) 1.105 13.121 ( -0.541 1.637 -1.084) 2.036 13.136 ( 1.564 0.167 0.754) 1.745 13.192 ( -0.697 0.747 -0.667) 1.220 13.214 ( 0.821 1.841 1.058) 2.277 13.240 ( 1.102 1.199 0.486) 1.700 13.251 ( -0.415 0.464 1.317) 1.457 13.277 ( 1.001 0.475 1.778) 2.095 13.282 ( -0.456 2.204 0.484) 2.302 13.314 ( -1.788 0.676 0.116) 1.915 13.329 ( 0.431 1.977 0.040) 2.024 13.388 ( 1.081 -0.560 0.133) 1.225 13.428 ( 2.092 -2.132 -1.349) 3.278 13.441 ( -1.410 0.501 3.383) 3.699 13.505 ( 1.759 0.576 -4.473) 4.841 13.517 ( 0.509 0.468 -3.275) 3.347 13.607 ( -2.006 -1.018 -2.777) 3.574 13.715 ( -1.364 -2.614 1.341) 3.240 13.812 ( -1.536 -3.599 -3.678) 5.370 ======================= Grid point 51 (28/42) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 5.373 -0.343 7.561) 9.282 0.616 ( -2.221 2.485 6.229) 7.065 0.705 ( 0.577 0.370 2.346) 2.444 0.756 ( -2.452 3.974 0.532) 4.700 0.798 ( -2.698 2.402 -3.698) 5.170 0.857 ( -1.245 0.988 0.514) 1.670 0.917 ( 0.865 -0.011 5.328) 5.398 0.927 ( -2.934 2.414 3.862) 5.418 0.954 ( 2.707 -2.957 -0.144) 4.012 1.015 ( 1.138 0.792 -1.817) 2.286 1.059 ( 0.266 2.436 -0.915) 2.616 1.079 ( 0.382 0.506 3.554) 3.610 1.187 ( -2.509 -2.146 4.373) 5.479 1.202 ( -0.512 4.363 0.054) 4.393 1.238 ( -1.256 -2.697 2.465) 3.864 1.273 ( 1.439 -3.259 0.696) 3.630 1.366 ( 1.111 -0.906 -3.129) 3.442 1.398 ( 1.981 -0.172 -1.150) 2.297 1.441 ( 0.739 -3.882 -4.768) 6.193 1.471 ( 0.980 -2.159 -1.529) 2.821 1.509 ( -1.974 0.932 -2.895) 3.626 1.548 ( 2.791 -0.911 -3.025) 4.216 1.610 ( -3.145 2.297 -2.500) 4.628 1.617 ( 2.244 1.511 -4.904) 5.601 1.745 ( -0.409 -3.427 -0.688) 3.520 1.778 ( 1.487 -3.685 -0.363) 3.990 1.843 ( -0.299 -2.596 -0.276) 2.628 1.881 ( 2.614 -2.151 -0.696) 3.456 1.944 ( -1.713 -1.523 2.136) 3.133 1.996 ( 1.233 -3.328 -0.713) 3.620 2.017 ( -3.056 -3.036 5.048) 6.636 2.059 ( -4.005 -2.270 5.476) 7.154 2.162 ( 0.893 0.092 2.259) 2.431 2.250 ( 1.901 -2.602 2.706) 4.208 2.251 ( 0.325 1.851 3.067) 3.597 2.269 ( 0.311 2.077 0.474) 2.153 2.331 ( -1.713 1.286 2.159) 3.041 2.386 ( 1.430 1.474 -0.281) 2.073 2.418 ( 1.536 0.479 -0.363) 1.650 2.452 ( -3.395 -0.239 1.537) 3.734 2.457 ( 0.514 -0.674 -1.320) 1.569 2.470 ( -0.310 0.326 -0.379) 0.588 2.498 ( -0.844 4.358 -0.937) 4.536 2.508 ( 0.998 1.903 1.928) 2.887 2.525 ( -0.911 2.866 -0.072) 3.008 2.559 ( 1.404 4.145 3.202) 5.423 2.582 ( 0.887 1.101 0.837) 1.643 2.643 ( 1.415 -0.391 -3.847) 4.117 2.652 ( 1.761 2.655 -0.159) 3.190 2.685 ( -1.535 3.182 -1.337) 3.778 2.696 ( 1.073 -2.224 0.395) 2.501 2.735 ( -1.140 -0.696 1.152) 1.764 2.753 ( -2.536 1.575 1.186) 3.212 2.770 ( -1.387 0.017 -0.944) 1.678 2.782 ( -0.700 0.239 0.721) 1.033 2.801 ( 0.204 1.000 -0.077) 1.024 2.859 ( -0.082 -1.908 1.654) 2.527 2.861 ( 0.905 -0.959 -0.431) 1.387 2.893 ( -0.071 2.388 -1.589) 2.870 2.914 ( 0.052 -1.383 0.231) 1.403 2.949 ( -0.370 -2.441 0.099) 2.471 2.954 ( 1.405 -0.236 -0.975) 1.726 2.984 ( -0.871 0.181 -3.126) 3.250 3.018 ( -0.117 0.193 -1.577) 1.593 3.045 ( 0.917 1.964 -1.268) 2.511 3.056 ( 0.771 -1.334 -1.889) 2.437 3.113 ( -0.038 -1.725 -0.161) 1.733 3.140 ( 0.233 -2.409 -3.177) 3.993 3.166 ( -0.645 -4.129 -0.496) 4.208 3.187 ( 1.373 -1.331 -0.665) 2.025 3.242 ( 0.968 -0.009 1.055) 1.432 3.263 ( 1.300 -0.995 1.476) 2.204 3.279 ( -2.590 -0.115 1.064) 2.802 3.315 ( 0.611 -0.468 -0.789) 1.102 3.354 ( -0.249 0.142 1.718) 1.742 3.386 ( 0.339 0.478 -1.118) 1.262 3.403 ( -3.037 1.081 -0.777) 3.316 3.441 ( -0.176 -0.636 -1.124) 1.304 3.501 ( -0.542 0.515 0.450) 0.873 3.519 ( 1.627 -0.038 0.359) 1.667 3.716 ( 0.069 1.114 0.638) 1.286 3.768 ( -0.988 0.902 0.587) 1.461 3.807 ( 0.065 -0.011 -1.038) 1.040 3.827 ( 0.416 -0.620 -1.556) 1.726 3.932 ( 0.038 2.313 0.980) 2.513 3.946 ( -0.474 1.786 0.899) 2.055 3.976 ( 0.779 -0.406 1.388) 1.642 3.997 ( -0.187 -0.028 -0.591) 0.620 4.049 ( 1.130 1.365 1.855) 2.566 4.072 ( 0.110 0.744 1.918) 2.060 4.095 ( -0.348 1.725 0.928) 1.989 4.153 ( 1.138 0.671 0.969) 1.638 4.169 ( 0.642 0.149 1.336) 1.490 4.183 ( -1.049 0.733 -2.227) 2.568 4.228 ( -0.016 0.781 1.364) 1.572 4.262 ( -2.165 -0.286 2.722) 3.490 4.303 ( -0.283 -1.644 -0.612) 1.777 4.317 ( -0.390 -0.107 -0.431) 0.591 4.330 ( 1.040 -1.036 -0.290) 1.496 4.338 ( -1.749 -1.364 0.282) 2.236 4.368 ( 0.640 -0.050 -0.542) 0.840 4.381 ( 0.091 -1.087 2.270) 2.519 4.423 ( -0.069 -1.444 0.031) 1.446 4.440 ( 1.380 -0.571 -1.537) 2.143 4.479 ( 0.543 -0.859 -0.954) 1.394 4.493 ( 1.034 -0.130 -1.195) 1.586 4.525 ( -0.359 -1.786 -1.474) 2.344 4.528 ( 0.328 -1.621 -1.864) 2.492 4.575 ( -0.832 2.517 -0.848) 2.783 4.604 ( -0.816 1.421 -0.526) 1.721 4.628 ( 0.706 1.363 -1.454) 2.114 4.656 ( -0.061 0.441 -2.359) 2.400 5.370 ( -0.124 0.364 1.069) 1.136 5.371 ( 0.127 0.298 -0.746) 0.814 5.383 ( 0.499 0.126 -0.829) 0.976 5.401 ( -0.340 -0.626 -0.181) 0.735 6.254 ( -0.017 0.229 0.513) 0.562 6.262 ( 0.010 -0.078 0.166) 0.184 6.423 ( -0.049 0.007 0.936) 0.937 6.423 ( -0.033 0.000 0.918) 0.919 8.714 ( -0.052 0.238 -0.387) 0.458 8.746 ( -0.150 -1.195 -1.990) 2.326 8.767 ( 0.070 1.146 0.859) 1.434 8.837 ( 0.185 -1.691 -2.457) 2.988 13.040 ( 0.304 -0.378 1.643) 1.713 13.065 ( 0.396 -0.855 1.023) 1.390 13.112 ( -0.148 1.587 -1.564) 2.233 13.154 ( 0.036 -0.838 -0.267) 0.880 13.189 ( 0.477 2.001 -0.780) 2.200 13.217 ( -0.388 2.348 0.139) 2.384 13.251 ( -0.522 1.126 1.206) 1.731 13.264 ( 1.415 0.674 1.494) 2.165 13.269 ( -0.900 0.497 -0.630) 1.206 13.279 ( -1.221 2.034 1.532) 2.824 13.311 ( 2.161 0.507 1.332) 2.589 13.334 ( 0.304 0.757 1.796) 1.972 13.399 ( -1.601 1.900 2.243) 3.347 13.410 ( -0.261 -1.804 -0.594) 1.917 13.453 ( 0.214 -2.159 -2.567) 3.360 13.500 ( -0.474 0.897 -1.971) 2.217 13.551 ( -1.158 -2.005 -1.002) 2.523 13.582 ( 2.102 0.772 -4.779) 5.278 13.689 ( -1.042 -1.654 1.557) 2.499 13.796 ( 0.466 -3.400 -3.531) 4.924 ======================= Grid point 52 (29/42) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.050 3.304 10.693) 11.192 0.640 ( -2.785 2.995 5.393) 6.768 0.689 ( -1.537 3.323 1.992) 4.168 0.733 ( 3.047 1.072 2.313) 3.973 0.791 ( 2.584 1.897 0.181) 3.211 0.856 ( -0.011 1.916 -0.386) 1.955 0.879 ( -0.930 1.966 1.740) 2.785 0.939 ( 0.967 -5.655 4.478) 7.278 0.996 ( -1.168 1.551 3.084) 3.644 1.028 ( 3.053 0.351 2.585) 4.015 1.081 ( 0.805 2.462 -0.848) 2.725 1.117 ( 2.057 -0.022 -2.466) 3.211 1.142 ( -0.066 -0.675 2.541) 2.630 1.161 ( -2.557 -0.857 2.100) 3.418 1.260 ( 2.003 -1.010 2.358) 3.255 1.288 ( 0.146 -2.974 0.693) 3.057 1.370 ( -0.601 0.436 -3.384) 3.464 1.414 ( -2.048 -3.115 -5.530) 6.669 1.426 ( -0.882 -2.147 -4.709) 5.250 1.440 ( -2.699 2.406 -0.870) 3.719 1.518 ( 0.916 -3.762 -4.845) 6.202 1.535 ( -2.181 2.551 -3.488) 4.841 1.605 ( 2.460 0.773 -0.706) 2.674 1.649 ( 1.269 -1.418 -4.454) 4.843 1.760 ( 0.727 -5.574 -1.372) 5.786 1.808 ( 1.816 -3.220 -0.230) 3.704 1.849 ( 0.228 -2.685 -1.075) 2.901 1.891 ( -1.672 -0.791 1.663) 2.487 1.929 ( 0.386 -1.299 0.701) 1.525 1.954 ( -3.321 0.398 3.886) 5.128 1.993 ( -1.072 -2.137 3.655) 4.367 2.028 ( 1.953 -2.371 -0.005) 3.071 2.188 ( 1.287 0.586 2.667) 3.019 2.235 ( -2.410 -0.837 5.041) 5.650 2.273 ( 0.508 -0.010 3.082) 3.123 2.297 ( -0.089 1.293 0.822) 1.535 2.299 ( 0.945 -0.237 2.540) 2.720 2.371 ( -2.207 0.072 -3.232) 3.914 2.402 ( -2.647 0.731 1.315) 3.044 2.429 ( -0.064 -0.539 0.112) 0.554 2.455 ( 0.548 1.308 -0.307) 1.451 2.471 ( 0.417 -0.532 1.840) 1.960 2.499 ( 0.097 4.031 0.197) 4.037 2.521 ( -0.036 2.398 1.433) 2.794 2.535 ( 1.524 0.580 -0.657) 1.758 2.583 ( -0.607 3.452 1.023) 3.651 2.595 ( 2.629 4.290 0.300) 5.040 2.643 ( -1.678 2.598 1.731) 3.544 2.683 ( 1.544 0.951 -2.393) 3.002 2.693 ( 0.547 3.401 -2.019) 3.993 2.705 ( -0.156 -0.573 -1.277) 1.408 2.734 ( 1.310 0.832 0.083) 1.555 2.743 ( 1.549 -1.347 4.063) 4.552 2.762 ( 0.870 -1.664 -2.340) 3.000 2.766 ( -1.126 0.853 1.082) 1.779 2.817 ( 1.401 -1.497 -2.285) 3.071 2.835 ( -0.605 0.740 1.736) 1.982 2.866 ( -0.048 -0.532 -2.396) 2.455 2.907 ( -0.539 -0.561 -1.069) 1.322 2.921 ( 2.084 2.250 -0.160) 3.070 2.942 ( -1.065 -2.313 0.409) 2.579 2.973 ( 0.064 -0.768 -1.395) 1.594 2.982 ( 1.154 -0.144 2.732) 2.969 3.007 ( -0.083 0.543 -0.519) 0.756 3.053 ( 0.144 -2.337 -0.350) 2.367 3.089 ( -1.418 -3.495 -0.199) 3.777 3.111 ( 2.880 -0.085 -3.347) 4.416 3.146 ( -0.815 -1.760 -1.516) 2.462 3.172 ( 0.633 -3.517 -1.540) 3.891 3.216 ( 1.846 0.749 -1.294) 2.375 3.232 ( -0.675 -0.381 -0.839) 1.142 3.250 ( -0.458 1.444 2.691) 3.088 3.272 ( -0.290 -2.290 1.593) 2.804 3.306 ( -1.801 1.093 -0.625) 2.198 3.318 ( -2.414 0.354 0.693) 2.537 3.335 ( -3.286 -0.560 -1.903) 3.839 3.405 ( 1.363 -0.501 -0.963) 1.743 3.446 ( 0.232 -0.406 -0.317) 0.565 3.490 ( -0.663 1.250 0.162) 1.424 3.528 ( -0.538 0.213 -0.740) 0.939 3.728 ( 0.894 0.634 1.405) 1.782 3.758 ( 0.214 1.509 1.529) 2.159 3.808 ( 0.127 0.183 -0.668) 0.704 3.830 ( -0.050 -0.225 -1.489) 1.507 3.937 ( 0.340 2.364 0.584) 2.459 3.944 ( 0.317 1.560 1.294) 2.052 3.988 ( -0.539 -0.118 -0.388) 0.675 3.991 ( 0.289 -0.035 1.595) 1.621 4.033 ( -1.212 0.481 1.019) 1.654 4.059 ( -1.693 -0.986 0.715) 2.085 4.118 ( 1.298 1.758 0.154) 2.191 4.166 ( 0.595 0.759 -0.238) 0.993 4.180 ( 0.164 0.668 1.483) 1.635 4.189 ( 1.273 1.301 2.183) 2.842 4.220 ( -0.341 0.489 -0.594) 0.842 4.253 ( 0.551 -0.219 2.696) 2.760 4.279 ( -1.645 -0.760 -0.246) 1.829 4.302 ( -1.018 0.484 -0.997) 1.504 4.318 ( 0.531 -1.986 0.496) 2.115 4.352 ( 0.400 -0.468 0.373) 0.720 4.371 ( -0.142 -0.466 1.016) 1.127 4.400 ( 1.859 0.007 0.415) 1.905 4.412 ( -0.875 -2.382 -0.247) 2.550 4.463 ( 0.237 0.718 -2.450) 2.564 4.482 ( -0.469 -0.519 0.114) 0.709 4.502 ( 0.367 -1.454 -0.817) 1.708 4.513 ( -0.648 -1.951 -1.209) 2.385 4.528 ( -0.229 -1.403 -2.735) 3.082 4.570 ( 0.440 2.356 -0.489) 2.446 4.597 ( 0.057 0.975 -0.550) 1.121 4.642 ( 0.769 0.588 -1.737) 1.989 4.645 ( -0.894 0.604 -1.978) 2.253 5.361 ( -0.450 0.426 0.907) 1.098 5.378 ( 0.089 -0.070 -0.374) 0.391 5.386 ( -0.034 0.166 -0.611) 0.634 5.404 ( 0.595 -0.457 -0.600) 0.960 6.253 ( -0.084 0.265 0.513) 0.583 6.262 ( -0.019 -0.080 0.146) 0.168 6.422 ( -0.084 -0.010 0.920) 0.924 6.422 ( -0.124 -0.033 0.947) 0.956 8.712 ( -0.054 -0.028 -0.022) 0.065 8.719 ( -1.909 -0.452 -1.131) 2.265 8.766 ( -0.188 1.382 0.505) 1.484 8.854 ( 1.174 -2.224 -2.879) 3.822 13.053 ( 0.714 0.316 1.959) 2.109 13.073 ( 0.584 -0.214 -0.120) 0.633 13.117 ( 0.176 0.533 -0.539) 0.778 13.142 ( -0.810 -0.410 -1.182) 1.491 13.197 ( -0.056 3.009 -0.334) 3.028 13.217 ( 0.123 1.284 0.630) 1.436 13.229 ( -0.034 0.149 0.086) 0.176 13.253 ( -1.648 0.779 1.112) 2.136 13.268 ( 0.054 -0.206 1.550) 1.564 13.287 ( 0.713 2.101 1.300) 2.571 13.327 ( -0.455 0.411 1.978) 2.071 13.356 ( 0.396 -0.653 2.310) 2.433 13.356 ( -1.021 1.330 -0.042) 1.677 13.407 ( -0.613 -1.427 -4.027) 4.316 13.450 ( -0.231 0.557 -3.483) 3.535 13.482 ( -0.979 0.951 2.242) 2.625 13.535 ( 0.099 0.090 -2.578) 2.582 13.621 ( 1.441 -1.040 -4.234) 4.591 13.692 ( 1.391 -1.813 2.119) 3.116 13.819 ( 1.634 -3.859 -3.413) 5.404 ======================= Grid point 53 (30/42) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -3.547 -3.271 8.908) 10.130 0.657 ( -3.547 3.271 8.908) 10.130 0.740 ( 1.832 -2.095 1.616) 3.218 0.740 ( 1.832 2.095 1.616) 3.218 0.825 ( -1.101 -2.797 0.864) 3.128 0.825 ( -1.101 2.797 0.864) 3.128 0.939 ( 1.260 -3.253 0.644) 3.547 0.939 ( 1.260 3.253 0.644) 3.547 1.013 ( 3.431 -3.937 0.214) 5.226 1.013 ( 3.431 3.937 0.214) 5.226 1.097 ( -0.449 -1.843 2.898) 3.464 1.097 ( -0.449 1.843 2.898) 3.464 1.216 ( -0.529 -0.899 -1.716) 2.008 1.216 ( -0.529 0.899 -1.716) 2.008 1.253 ( -0.120 -2.428 -3.713) 4.438 1.253 ( -0.120 2.428 -3.713) 4.438 1.324 ( -0.996 -5.539 -1.057) 5.726 1.324 ( -0.996 5.539 -1.057) 5.726 1.409 ( -2.049 -4.499 -1.269) 5.104 1.409 ( -2.049 4.499 -1.269) 5.104 1.505 ( 1.333 -7.105 -1.433) 7.370 1.505 ( 1.333 7.105 -1.433) 7.370 1.624 ( 0.482 -5.912 -5.546) 8.121 1.624 ( 0.482 5.912 -5.546) 8.121 1.763 ( 0.784 -3.478 2.476) 4.341 1.763 ( 0.784 3.478 2.476) 4.341 1.810 ( -2.237 -0.816 1.623) 2.882 1.810 ( -2.237 0.816 1.623) 2.882 1.926 ( 0.173 -0.809 2.473) 2.608 1.926 ( 0.173 0.809 2.473) 2.608 2.036 ( 2.255 -0.810 -3.017) 3.853 2.036 ( 2.255 0.810 -3.017) 3.853 2.168 ( -2.085 -0.968 5.483) 5.945 2.168 ( -2.085 0.968 5.483) 5.945 2.303 ( -0.340 -0.175 3.117) 3.140 2.303 ( -0.340 0.175 3.117) 3.140 2.338 ( 1.375 -1.214 -0.608) 1.932 2.338 ( 1.375 1.214 -0.608) 1.932 2.408 ( 0.916 -1.556 0.401) 1.850 2.408 ( 0.916 1.556 0.401) 1.850 2.464 ( -0.300 -0.638 3.505) 3.575 2.464 ( -0.300 0.638 3.505) 3.575 2.558 ( -0.818 -1.201 -0.190) 1.465 2.558 ( -0.818 1.201 -0.190) 1.465 2.581 ( -0.201 -2.459 -0.688) 2.561 2.581 ( -0.201 2.459 -0.688) 2.561 2.647 ( -2.169 -3.389 0.273) 4.033 2.647 ( -2.169 3.389 0.273) 4.033 2.704 ( -0.967 -1.661 -0.696) 2.044 2.704 ( -0.967 1.661 -0.696) 2.044 2.739 ( 1.008 -2.176 -1.275) 2.716 2.739 ( 1.008 2.176 -1.275) 2.716 2.777 ( 2.296 -0.783 1.050) 2.644 2.777 ( 2.296 0.783 1.050) 2.644 2.812 ( 2.957 -0.487 -1.327) 3.278 2.812 ( 2.957 0.487 -1.327) 3.278 2.858 ( -1.202 -1.269 -1.070) 2.049 2.858 ( -1.202 1.269 -1.070) 2.049 2.899 ( -2.117 -1.817 0.699) 2.876 2.899 ( -2.117 1.817 0.699) 2.876 2.930 ( 0.297 -0.285 0.317) 0.519 2.930 ( 0.297 0.285 0.317) 0.519 2.983 ( -0.177 -1.606 -2.626) 3.083 2.983 ( -0.177 1.606 -2.626) 3.083 3.062 ( -0.102 -0.680 1.148) 1.338 3.062 ( -0.102 0.680 1.148) 1.338 3.117 ( 0.240 -1.585 -0.294) 1.630 3.117 ( 0.240 1.585 -0.294) 1.630 3.189 ( 0.683 -2.247 -1.611) 2.848 3.189 ( 0.683 2.247 -1.611) 2.848 3.221 ( -1.932 -1.347 -1.716) 2.914 3.221 ( -1.932 1.347 -1.716) 2.914 3.281 ( 0.841 -0.902 0.280) 1.265 3.281 ( 0.841 0.902 0.280) 1.265 3.312 ( 0.952 -1.293 -0.464) 1.671 3.312 ( 0.952 1.293 -0.464) 1.671 3.438 ( 1.193 -1.458 1.274) 2.275 3.438 ( 1.193 1.458 1.274) 2.275 3.501 ( -1.178 -0.962 -0.416) 1.577 3.501 ( -1.178 0.962 -0.416) 1.577 3.771 ( 0.930 -1.787 0.023) 2.015 3.771 ( 0.930 1.787 0.023) 2.015 3.813 ( -0.986 -0.573 0.465) 1.231 3.813 ( -0.986 0.573 0.465) 1.231 3.963 ( 0.078 -0.630 0.742) 0.976 3.963 ( 0.078 0.630 0.742) 0.976 3.998 ( -0.260 -1.149 0.445) 1.260 3.998 ( -0.260 1.149 0.445) 1.260 4.012 ( -0.424 -1.646 2.087) 2.692 4.012 ( -0.424 1.646 2.087) 2.692 4.160 ( 0.001 -1.115 -1.940) 2.238 4.160 ( 0.001 1.115 -1.940) 2.238 4.202 ( -1.358 -1.331 2.058) 2.802 4.202 ( -1.358 1.331 2.058) 2.802 4.239 ( 2.105 -1.361 0.962) 2.685 4.239 ( 2.105 1.361 0.962) 2.685 4.299 ( 0.012 -0.938 1.851) 2.075 4.299 ( 0.012 0.938 1.851) 2.075 4.337 ( -0.002 -1.736 0.349) 1.771 4.337 ( -0.002 1.736 0.349) 1.771 4.370 ( 0.588 -1.350 -0.936) 1.745 4.370 ( 0.588 1.350 -0.936) 1.745 4.451 ( 0.137 -2.515 -2.722) 3.709 4.451 ( 0.137 2.515 -2.722) 3.709 4.471 ( -1.042 -1.397 -0.706) 1.880 4.471 ( -1.042 1.397 -0.706) 1.880 4.480 ( -0.615 -1.123 -0.585) 1.407 4.480 ( -0.615 1.123 -0.585) 1.407 4.611 ( 0.679 -0.371 -1.079) 1.328 4.611 ( 0.679 0.371 -1.079) 1.328 4.641 ( -0.063 -0.648 -1.457) 1.596 4.641 ( -0.063 0.648 -1.457) 1.596 5.367 ( -0.064 -0.472 0.348) 0.590 5.367 ( -0.064 0.472 0.348) 0.590 5.397 ( -0.021 -0.661 -0.626) 0.911 5.397 ( -0.021 0.661 -0.626) 0.911 6.259 ( -0.009 -0.261 0.320) 0.413 6.259 ( -0.009 0.261 0.320) 0.413 6.421 ( 0.014 -0.050 0.884) 0.886 6.421 ( 0.014 0.050 0.884) 0.886 8.707 ( 0.193 -0.406 0.304) 0.543 8.707 ( 0.193 0.406 0.304) 0.543 8.806 ( -0.142 -2.726 -1.500) 3.115 8.806 ( -0.142 2.726 -1.500) 3.115 13.068 ( -0.889 -1.111 1.241) 1.888 13.068 ( -0.889 1.111 1.241) 1.888 13.130 ( 0.497 -0.684 0.186) 0.866 13.130 ( 0.497 0.684 0.186) 0.866 13.225 ( -1.000 -0.577 -0.207) 1.173 13.225 ( -1.000 0.577 -0.207) 1.173 13.237 ( 0.841 -0.938 0.758) 1.470 13.237 ( 0.841 0.938 0.758) 1.470 13.296 ( 0.255 -1.676 0.907) 1.923 13.296 ( 0.255 1.676 0.907) 1.923 13.337 ( 0.137 -1.904 -0.732) 2.045 13.337 ( 0.137 1.904 -0.732) 2.045 13.377 ( 0.376 -1.525 -0.327) 1.605 13.377 ( 0.376 1.525 -0.327) 1.605 13.486 ( -0.109 -1.697 -2.196) 2.778 13.486 ( -0.109 1.697 -2.196) 2.778 13.564 ( -0.143 -4.029 0.390) 4.050 13.564 ( -0.143 4.029 0.390) 4.050 13.739 ( 0.074 -4.335 -3.047) 5.299 13.739 ( 0.074 4.335 -3.047) 5.299 ======================= Grid point 55 (31/42) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -1.438 -6.348 5.334) 8.415 0.606 ( -1.438 6.348 5.334) 8.415 0.765 ( -0.708 -1.638 2.212) 2.842 0.765 ( -0.708 1.638 2.212) 2.842 0.834 ( 3.136 -2.868 -0.968) 4.358 0.834 ( 3.136 2.868 -0.968) 4.358 0.923 ( -3.479 -4.278 1.386) 5.685 0.923 ( -3.479 4.278 1.386) 5.685 1.017 ( -2.069 -5.199 -0.217) 5.600 1.017 ( -2.069 5.199 -0.217) 5.600 1.098 ( 0.809 -6.862 5.290) 8.702 1.098 ( 0.809 6.862 5.290) 8.702 1.217 ( -0.222 -5.117 -3.569) 6.243 1.217 ( -0.222 5.117 -3.569) 6.243 1.276 ( 1.365 -6.211 -3.697) 7.356 1.276 ( 1.365 6.211 -3.697) 7.356 1.309 ( 0.678 -8.972 0.782) 9.032 1.309 ( 0.678 8.972 0.782) 9.032 1.384 ( 0.157 -3.261 0.430) 3.293 1.384 ( 0.157 3.261 0.430) 3.293 1.524 ( 0.238 -4.969 -1.890) 5.322 1.524 ( 0.238 4.969 -1.890) 5.322 1.648 ( 1.922 -5.896 -4.521) 7.674 1.648 ( 1.922 5.896 -4.521) 7.674 1.737 ( -2.800 -1.811 -0.012) 3.334 1.737 ( -2.800 1.811 -0.012) 3.334 1.797 ( 0.695 -2.176 2.388) 3.305 1.797 ( 0.695 2.176 2.388) 3.305 1.936 ( 0.400 -0.643 0.403) 0.858 1.936 ( 0.400 0.643 0.403) 0.858 2.048 ( -1.090 -1.945 0.980) 2.435 2.048 ( -1.090 1.945 0.980) 2.435 2.162 ( 1.215 -1.796 4.135) 4.669 2.162 ( 1.215 1.796 4.135) 4.669 2.298 ( -0.247 -1.009 2.434) 2.647 2.298 ( -0.247 1.009 2.434) 2.647 2.357 ( 0.898 -1.251 -0.158) 1.548 2.357 ( 0.898 1.251 -0.158) 1.548 2.426 ( 0.177 -1.166 2.096) 2.405 2.426 ( 0.177 1.166 2.096) 2.405 2.490 ( 2.792 -1.599 2.117) 3.852 2.490 ( 2.792 1.599 2.117) 3.852 2.522 ( -2.449 -2.205 0.454) 3.327 2.522 ( -2.449 2.205 0.454) 3.327 2.580 ( 0.195 -0.975 -0.152) 1.006 2.580 ( 0.195 0.975 -0.152) 1.006 2.610 ( -1.611 -2.400 -1.454) 3.236 2.610 ( -1.611 2.400 -1.454) 3.236 2.692 ( -0.458 -1.549 -0.476) 1.684 2.692 ( -0.458 1.549 -0.476) 1.684 2.739 ( -0.979 -1.601 -0.880) 2.073 2.739 ( -0.979 1.601 -0.880) 2.073 2.800 ( -1.957 -0.770 -1.521) 2.595 2.800 ( -1.957 0.770 -1.521) 2.595 2.812 ( 0.509 -1.632 1.427) 2.227 2.812 ( 0.509 1.632 1.427) 2.227 2.852 ( -1.228 -0.667 1.594) 2.120 2.852 ( -1.228 0.667 1.594) 2.120 2.882 ( 1.593 -2.768 -0.613) 3.252 2.882 ( 1.593 2.768 -0.613) 3.252 2.944 ( 0.475 -1.516 -0.850) 1.802 2.944 ( 0.475 1.516 -0.850) 1.802 2.988 ( 1.164 -1.864 -3.387) 4.037 2.988 ( 1.164 1.864 -3.387) 4.037 3.054 ( -0.306 -1.079 0.841) 1.402 3.054 ( -0.306 1.079 0.841) 1.402 3.105 ( -1.045 -2.204 -1.428) 2.826 3.105 ( -1.045 2.204 -1.428) 2.826 3.165 ( -3.108 -0.885 -2.339) 3.989 3.165 ( -3.108 0.885 -2.339) 3.989 3.223 ( 2.144 -1.228 -0.675) 2.561 3.223 ( 2.144 1.228 -0.675) 2.561 3.307 ( 0.890 -2.434 -0.042) 2.592 3.307 ( 0.890 2.434 -0.042) 2.592 3.338 ( 1.651 -0.884 1.227) 2.239 3.338 ( 1.651 0.884 1.227) 2.239 3.464 ( 0.020 -0.689 1.698) 1.832 3.464 ( 0.020 0.689 1.698) 1.832 3.481 ( 0.337 -1.089 -0.605) 1.290 3.481 ( 0.337 1.089 -0.605) 1.290 3.771 ( -1.020 -2.533 -1.058) 2.929 3.771 ( -1.020 2.533 -1.058) 2.929 3.804 ( 0.317 -0.528 0.374) 0.721 3.804 ( 0.317 0.528 0.374) 0.721 3.960 ( -0.301 -1.003 1.174) 1.573 3.960 ( -0.301 1.003 1.174) 1.573 3.994 ( -0.234 -1.006 0.387) 1.103 3.994 ( -0.234 1.006 0.387) 1.103 4.033 ( 2.498 -2.025 2.331) 3.971 4.033 ( 2.498 2.025 2.331) 3.971 4.153 ( -0.970 -0.902 0.052) 1.326 4.153 ( -0.970 0.902 0.052) 1.326 4.187 ( -0.378 -2.683 0.259) 2.722 4.187 ( -0.378 2.683 0.259) 2.722 4.268 ( -0.540 -1.593 1.607) 2.326 4.268 ( -0.540 1.593 1.607) 2.326 4.287 ( 0.392 -0.824 1.393) 1.666 4.287 ( 0.392 0.824 1.393) 1.666 4.334 ( -0.103 -0.530 -0.192) 0.573 4.334 ( -0.103 0.530 -0.192) 0.573 4.373 ( -0.584 -1.866 -1.242) 2.316 4.373 ( -0.584 1.866 -1.242) 2.316 4.428 ( -1.456 -1.161 -2.187) 2.872 4.428 ( -1.456 1.161 -2.187) 2.872 4.468 ( 0.815 -1.121 -0.907) 1.657 4.468 ( 0.815 1.121 -0.907) 1.657 4.490 ( 0.954 -0.682 -0.261) 1.202 4.490 ( 0.954 0.682 -0.261) 1.202 4.619 ( -0.044 -0.837 -1.718) 1.911 4.619 ( -0.044 0.837 -1.718) 1.911 4.645 ( 0.600 -0.694 -1.198) 1.509 4.645 ( 0.600 0.694 -1.198) 1.509 5.370 ( 0.346 -0.327 0.022) 0.476 5.370 ( 0.346 0.327 0.022) 0.476 5.393 ( -0.365 -0.718 -0.336) 0.872 5.393 ( -0.365 0.718 -0.336) 0.872 6.259 ( 0.014 -0.239 0.336) 0.413 6.259 ( 0.014 0.239 0.336) 0.413 6.423 ( 0.070 -0.041 0.867) 0.871 6.423 ( 0.070 0.041 0.867) 0.871 8.718 ( 0.736 -0.212 -0.282) 0.817 8.718 ( 0.736 0.212 -0.282) 0.817 8.800 ( -0.293 -2.364 -1.088) 2.619 8.800 ( -0.293 2.364 -1.088) 2.619 13.049 ( -0.832 -0.931 1.519) 1.966 13.049 ( -0.832 0.931 1.519) 1.966 13.140 ( 0.302 -0.171 -0.070) 0.354 13.140 ( 0.302 0.171 -0.070) 0.354 13.215 ( 0.102 -1.250 -0.204) 1.270 13.215 ( 0.102 1.250 -0.204) 1.270 13.258 ( 0.762 -0.578 1.039) 1.412 13.258 ( 0.762 0.578 1.039) 1.412 13.298 ( 0.269 -2.124 1.513) 2.622 13.298 ( 0.269 2.124 1.513) 2.622 13.346 ( 0.555 -3.364 -1.868) 3.888 13.346 ( 0.555 3.364 -1.868) 3.888 13.380 ( -0.166 -2.437 -0.435) 2.481 13.380 ( -0.166 2.437 -0.435) 2.481 13.483 ( -0.031 -2.472 -0.205) 2.481 13.483 ( -0.031 2.472 -0.205) 2.481 13.556 ( -0.501 -3.425 -1.079) 3.626 13.556 ( -0.501 3.425 -1.079) 3.626 13.727 ( -0.993 -3.810 -2.856) 4.864 13.727 ( -0.993 3.810 -2.856) 4.864 ======================= Grid point 57 (32/42) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 2.966 -4.110 2.623) 5.707 0.624 ( 2.966 4.110 2.623) 5.707 0.749 ( -0.630 -5.313 1.344) 5.517 0.749 ( -0.630 5.313 1.344) 5.517 0.854 ( -1.589 -0.793 -0.060) 1.776 0.854 ( -1.589 0.793 -0.060) 1.776 0.886 ( 0.211 -4.169 -0.331) 4.188 0.886 ( 0.211 4.169 -0.331) 4.188 0.972 ( -2.187 -3.535 0.532) 4.191 0.972 ( -2.187 3.535 0.532) 4.191 1.108 ( -0.333 -4.581 5.602) 7.244 1.108 ( -0.333 4.581 5.602) 7.244 1.214 ( 0.371 -5.052 -0.848) 5.136 1.214 ( 0.371 5.052 -0.848) 5.136 1.276 ( 0.090 -3.488 -2.037) 4.040 1.276 ( 0.090 3.488 -2.037) 4.040 1.342 ( 0.994 -0.668 -4.308) 4.471 1.342 ( 0.994 0.668 -4.308) 4.471 1.408 ( 1.761 -2.247 3.306) 4.368 1.408 ( 1.761 2.247 3.306) 4.368 1.519 ( -0.429 -0.778 -2.550) 2.700 1.519 ( -0.429 0.778 -2.550) 2.700 1.665 ( -0.871 -1.344 -2.349) 2.843 1.665 ( -0.871 1.344 -2.349) 2.843 1.695 ( -0.363 -2.906 -0.222) 2.936 1.695 ( -0.363 2.906 -0.222) 2.936 1.825 ( 1.740 -1.480 -0.500) 2.338 1.825 ( 1.740 1.480 -0.500) 2.338 1.940 ( 0.368 -1.477 -1.228) 1.956 1.940 ( 0.368 1.477 -1.228) 1.956 2.011 ( -2.486 -1.666 4.543) 5.440 2.011 ( -2.486 1.666 4.543) 5.440 2.200 ( 2.139 -2.431 4.145) 5.260 2.200 ( 2.139 2.431 4.145) 5.260 2.285 ( -1.293 -1.272 2.490) 3.080 2.285 ( -1.293 1.272 2.490) 3.080 2.372 ( 0.049 -2.792 0.433) 2.826 2.372 ( 0.049 2.792 0.433) 2.826 2.433 ( -0.185 -1.502 1.718) 2.289 2.433 ( -0.185 1.502 1.718) 2.289 2.458 ( -1.870 -0.663 1.332) 2.390 2.458 ( -1.870 0.663 1.332) 2.390 2.535 ( 0.356 -0.339 0.280) 0.566 2.535 ( 0.356 0.339 0.280) 0.566 2.599 ( 1.122 -2.214 -1.273) 2.790 2.599 ( 1.122 2.214 -1.273) 2.790 2.617 ( 3.377 -1.438 -0.441) 3.697 2.617 ( 3.377 1.438 -0.441) 3.697 2.684 ( -0.192 -1.912 -0.241) 1.937 2.684 ( -0.192 1.912 -0.241) 1.937 2.714 ( -1.165 -2.282 0.520) 2.614 2.714 ( -1.165 2.282 0.520) 2.614 2.753 ( -2.096 -2.168 -1.252) 3.265 2.753 ( -2.096 2.168 -1.252) 3.265 2.816 ( -1.341 -1.425 0.504) 2.021 2.816 ( -1.341 1.425 0.504) 2.021 2.855 ( 2.079 -1.372 0.841) 2.629 2.855 ( 2.079 1.372 0.841) 2.629 2.892 ( -0.936 -1.532 -0.681) 1.921 2.892 ( -0.936 1.532 -0.681) 1.921 2.940 ( 0.250 -1.115 -1.041) 1.546 2.940 ( 0.250 1.115 -1.041) 1.546 3.013 ( 0.430 -1.644 -2.114) 2.713 3.013 ( 0.430 1.644 -2.114) 2.713 3.054 ( -0.177 -3.211 -1.905) 3.738 3.054 ( -0.177 3.211 -1.905) 3.738 3.097 ( 0.900 -0.672 -0.742) 1.346 3.097 ( 0.900 0.672 -0.742) 1.346 3.128 ( -0.380 -2.819 -3.022) 4.150 3.128 ( -0.380 2.819 -3.022) 4.150 3.249 ( 0.327 -1.132 -0.209) 1.197 3.249 ( 0.327 1.132 -0.209) 1.197 3.303 ( -0.550 -0.998 1.489) 1.875 3.303 ( -0.550 0.998 1.489) 1.875 3.368 ( 0.540 -1.845 1.760) 2.606 3.368 ( 0.540 1.845 1.760) 2.606 3.429 ( -2.201 -1.018 -1.077) 2.654 3.429 ( -2.201 1.018 -1.077) 2.654 3.508 ( 1.182 -0.715 2.356) 2.732 3.508 ( 1.182 0.715 2.356) 2.732 3.753 ( -0.580 -2.006 -1.716) 2.703 3.753 ( -0.580 2.006 -1.716) 2.703 3.815 ( 0.660 -0.681 -0.265) 0.985 3.815 ( 0.660 0.681 -0.265) 0.985 3.963 ( 0.435 -0.415 1.308) 1.440 3.963 ( 0.435 0.415 1.308) 1.440 3.988 ( -0.322 -1.046 0.690) 1.294 3.988 ( -0.322 1.046 0.690) 1.294 4.075 ( 0.229 -0.939 2.267) 2.465 4.075 ( 0.229 0.939 2.267) 2.465 4.138 ( 0.740 -1.660 0.844) 2.004 4.138 ( 0.740 1.660 0.844) 2.004 4.179 ( -0.505 -1.277 -0.046) 1.374 4.179 ( -0.505 1.277 -0.046) 1.374 4.253 ( -0.165 -2.278 1.738) 2.870 4.253 ( -0.165 2.278 1.738) 2.870 4.282 ( -1.417 -1.427 -0.889) 2.199 4.282 ( -1.417 1.427 -0.889) 2.199 4.341 ( 0.094 -1.190 0.068) 1.195 4.341 ( 0.094 1.190 0.068) 1.195 4.369 ( 0.654 -1.724 1.342) 2.280 4.369 ( 0.654 1.724 1.342) 2.280 4.409 ( -0.293 -1.358 -2.102) 2.520 4.409 ( -0.293 1.358 -2.102) 2.520 4.486 ( 0.979 -0.980 -2.080) 2.499 4.486 ( 0.979 0.980 -2.080) 2.499 4.502 ( 0.253 -0.057 -1.030) 1.062 4.502 ( 0.253 0.057 -1.030) 1.062 4.610 ( -0.634 -0.848 -1.277) 1.659 4.610 ( -0.634 0.848 -1.277) 1.659 4.654 ( 0.160 -0.816 -1.272) 1.520 4.654 ( 0.160 0.816 -1.272) 1.520 5.376 ( 0.080 -0.034 -0.523) 0.531 5.376 ( 0.080 0.034 -0.523) 0.531 5.388 ( 0.021 -0.523 0.071) 0.528 5.388 ( 0.021 0.523 0.071) 0.528 6.259 ( -0.006 -0.225 0.355) 0.421 6.259 ( -0.006 0.225 0.355) 0.421 6.423 ( -0.054 -0.019 0.887) 0.889 6.423 ( -0.054 0.019 0.887) 0.889 8.724 ( -0.224 -0.828 -0.937) 1.270 8.724 ( -0.224 0.828 -0.937) 1.270 8.799 ( 0.238 -1.883 -0.561) 1.979 8.799 ( 0.238 1.883 -0.561) 1.979 13.047 ( 0.608 -0.853 2.086) 2.334 13.047 ( 0.608 0.853 2.086) 2.334 13.138 ( -0.379 -0.895 -1.145) 1.502 13.138 ( -0.379 0.895 -1.145) 1.502 13.223 ( 0.385 -1.502 0.101) 1.554 13.223 ( 0.385 1.502 0.101) 1.554 13.260 ( -0.201 -0.666 1.364) 1.531 13.260 ( -0.201 0.666 1.364) 1.531 13.311 ( 0.609 -2.287 1.384) 2.742 13.311 ( 0.609 2.287 1.384) 2.742 13.332 ( -1.464 -1.480 -1.109) 2.359 13.332 ( -1.464 1.480 -1.109) 2.359 13.388 ( 0.654 -1.679 -1.742) 2.506 13.388 ( 0.654 1.679 -1.742) 2.506 13.473 ( -0.774 -3.433 1.408) 3.790 13.473 ( -0.774 3.433 1.408) 3.790 13.558 ( 0.616 -2.697 -1.937) 3.377 13.558 ( 0.616 2.697 -1.937) 3.377 13.714 ( 0.033 -3.932 -2.732) 4.788 13.714 ( 0.033 3.932 -2.732) 4.788 ======================= Grid point 59 (33/42) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 1.371 -3.575 5.167) 6.431 0.676 ( 1.371 3.575 5.167) 6.431 0.741 ( -0.858 -7.127 3.684) 8.068 0.741 ( -0.858 7.127 3.684) 8.068 0.839 ( -0.832 -5.750 1.204) 5.933 0.839 ( -0.832 5.750 1.204) 5.933 0.902 ( 3.012 -4.344 -0.914) 5.365 0.902 ( 3.012 4.344 -0.914) 5.365 0.952 ( 0.518 -4.617 -2.283) 5.176 0.952 ( 0.518 4.617 -2.283) 5.176 1.100 ( -0.375 -2.097 4.246) 4.751 1.100 ( -0.375 2.097 4.246) 4.751 1.224 ( 0.228 -4.074 2.183) 4.628 1.224 ( 0.228 4.074 2.183) 4.628 1.275 ( -0.840 -8.216 -3.274) 8.884 1.275 ( -0.840 8.216 -3.274) 8.884 1.335 ( -0.507 -4.058 -4.678) 6.214 1.335 ( -0.507 4.058 -4.678) 6.214 1.430 ( -0.030 -2.170 1.101) 2.433 1.430 ( -0.030 2.170 1.101) 2.433 1.502 ( -0.860 -5.509 -2.207) 5.997 1.502 ( -0.860 5.509 -2.207) 5.997 1.636 ( -1.329 -5.141 -3.668) 6.454 1.636 ( -1.329 5.141 -3.668) 6.454 1.725 ( 2.636 -4.137 1.273) 5.068 1.725 ( 2.636 4.137 1.273) 5.068 1.838 ( -0.463 -1.863 -0.177) 1.927 1.838 ( -0.463 1.863 -0.177) 1.927 1.939 ( -1.196 -1.182 2.122) 2.708 1.939 ( -1.196 1.182 2.122) 2.708 1.995 ( 1.421 -1.313 0.044) 1.936 1.995 ( 1.421 1.313 0.044) 1.936 2.212 ( -1.908 -1.429 5.154) 5.679 2.212 ( -1.908 1.429 5.154) 5.679 2.278 ( 1.444 -1.168 2.992) 3.522 2.278 ( 1.444 1.168 2.992) 3.522 2.350 ( -1.843 -2.917 -0.619) 3.506 2.350 ( -1.843 2.917 -0.619) 3.506 2.409 ( -0.832 -1.588 0.856) 1.987 2.409 ( -0.832 1.588 0.856) 1.987 2.465 ( 0.377 -0.130 2.660) 2.690 2.465 ( 0.377 0.130 2.660) 2.690 2.546 ( 1.177 -0.847 -0.320) 1.485 2.546 ( 1.177 0.847 -0.320) 1.485 2.599 ( -1.120 -3.679 -1.022) 3.979 2.599 ( -1.120 3.679 -1.022) 3.979 2.676 ( 0.006 -2.114 2.023) 2.926 2.676 ( 0.006 2.114 2.023) 2.926 2.695 ( 2.664 -1.339 -1.439) 3.311 2.695 ( 2.664 1.339 -1.439) 3.311 2.717 ( 1.111 -0.806 -0.978) 1.685 2.717 ( 1.111 0.806 -0.978) 1.685 2.734 ( 0.801 -1.754 -1.132) 2.236 2.734 ( 0.801 1.754 -1.132) 2.236 2.788 ( -1.022 -1.802 0.163) 2.078 2.788 ( -1.022 1.802 0.163) 2.078 2.872 ( -0.687 -0.992 -0.213) 1.225 2.872 ( -0.687 0.992 -0.213) 1.225 2.896 ( 1.793 -1.090 0.024) 2.099 2.896 ( 1.793 1.090 0.024) 2.099 2.944 ( -0.508 -1.174 -0.453) 1.357 2.944 ( -0.508 1.174 -0.453) 1.357 2.997 ( -1.314 -1.604 -1.480) 2.548 2.997 ( -1.314 1.604 -1.480) 2.548 3.053 ( 0.524 -2.390 -1.398) 2.818 3.053 ( 0.524 2.390 -1.398) 2.818 3.106 ( 0.442 -2.435 0.011) 2.475 3.106 ( 0.442 2.435 0.011) 2.475 3.166 ( 3.132 -2.911 -4.022) 5.870 3.166 ( 3.132 2.911 -4.022) 5.870 3.234 ( -1.173 -1.441 0.658) 1.971 3.234 ( -1.173 1.441 0.658) 1.971 3.296 ( -0.821 -2.004 1.603) 2.694 3.296 ( -0.821 2.004 1.603) 2.694 3.330 ( -3.143 -1.085 -0.008) 3.325 3.330 ( -3.143 1.085 -0.008) 3.325 3.422 ( 0.709 -1.904 0.100) 2.034 3.422 ( 0.709 1.904 0.100) 2.034 3.516 ( -0.393 -1.258 1.168) 1.761 3.516 ( -0.393 1.258 1.168) 1.761 3.753 ( 0.704 -1.518 -0.730) 1.826 3.753 ( 0.704 1.518 -0.730) 1.826 3.823 ( 0.045 -0.808 -0.061) 0.812 3.823 ( 0.045 0.808 -0.061) 0.812 3.965 ( -0.296 -0.566 1.036) 1.217 3.965 ( -0.296 0.566 1.036) 1.217 3.991 ( 0.651 -0.403 0.824) 1.125 3.991 ( 0.651 0.403 0.824) 1.125 4.042 ( -2.435 -0.493 1.679) 2.999 4.042 ( -2.435 0.493 1.679) 2.999 4.163 ( -0.078 -1.911 -1.339) 2.335 4.163 ( -0.078 1.911 -1.339) 2.335 4.189 ( 2.346 -1.479 1.690) 3.248 4.189 ( 2.346 1.479 1.690) 3.248 4.241 ( -1.859 -2.495 0.798) 3.212 4.241 ( -1.859 2.495 0.798) 3.212 4.276 ( 1.492 -1.594 1.218) 2.500 4.276 ( 1.492 1.594 1.218) 2.500 4.338 ( -0.152 -1.899 -0.298) 1.928 4.338 ( -0.152 1.899 -0.298) 1.928 4.370 ( -0.449 -0.971 0.995) 1.461 4.370 ( -0.449 0.971 0.995) 1.461 4.428 ( 1.836 -2.622 -1.484) 3.529 4.428 ( 1.836 2.622 -1.484) 3.529 4.492 ( -0.754 -0.577 -0.733) 1.199 4.492 ( -0.754 0.577 -0.733) 1.199 4.496 ( -0.475 -1.489 -3.058) 3.435 4.496 ( -0.475 1.489 -3.058) 3.435 4.604 ( 0.098 -0.686 -0.715) 0.995 4.604 ( 0.098 0.686 -0.715) 0.995 4.648 ( -0.556 -0.348 -1.405) 1.550 4.648 ( -0.556 0.348 -1.405) 1.550 5.371 ( -0.356 -0.513 0.086) 0.630 5.371 ( -0.356 0.513 0.086) 0.630 5.394 ( 0.393 -0.497 -0.504) 0.810 5.394 ( 0.393 0.497 -0.504) 0.810 6.259 ( -0.030 -0.247 0.339) 0.420 6.259 ( -0.030 0.247 0.339) 0.420 6.422 ( -0.113 -0.015 0.904) 0.911 6.422 ( -0.113 0.015 0.904) 0.911 8.713 ( -0.680 -0.140 -0.243) 0.735 8.713 ( -0.680 0.140 -0.243) 0.735 8.805 ( 0.298 -2.345 -1.088) 2.603 8.805 ( 0.298 2.345 -1.088) 2.603 13.065 ( 0.938 -0.677 2.068) 2.370 13.065 ( 0.938 0.677 2.068) 2.370 13.129 ( -0.356 -0.671 -1.129) 1.361 13.129 ( -0.356 0.671 -1.129) 1.361 13.224 ( 0.023 -0.059 0.658) 0.661 13.224 ( 0.023 0.059 0.658) 0.661 13.254 ( -1.004 -1.327 0.507) 1.739 13.254 ( -1.004 1.327 0.507) 1.739 13.294 ( -0.787 -1.935 -0.245) 2.103 13.294 ( -0.787 1.935 -0.245) 2.103 13.334 ( 0.522 -0.852 1.258) 1.607 13.334 ( 0.522 0.852 1.258) 1.607 13.381 ( -0.859 -1.240 -1.764) 2.321 13.381 ( -0.859 1.240 -1.764) 2.321 13.478 ( 0.949 -1.952 -0.756) 2.299 13.478 ( 0.949 1.952 -0.756) 2.299 13.564 ( 0.077 -3.546 -0.303) 3.559 13.564 ( 0.077 3.546 -0.303) 3.559 13.727 ( 1.160 -4.478 -2.980) 5.503 13.727 ( 1.160 4.478 -2.980) 5.503 ======================= Grid point 65 (34/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 3.596 0.000 -2.903) 4.622 0.604 ( -3.596 0.000 2.903) 4.622 0.761 ( -3.008 0.000 -3.919) 4.941 0.761 ( 3.008 0.000 3.919) 4.941 0.843 ( -1.746 0.000 -1.803) 2.510 0.843 ( 1.746 0.000 1.803) 2.510 0.991 ( -4.572 0.000 0.331) 4.584 0.991 ( 4.572 0.000 -0.331) 4.584 1.046 ( 2.717 0.000 -1.230) 2.983 1.046 ( -2.717 0.000 1.230) 2.983 1.164 ( 1.643 0.000 -8.639) 8.794 1.164 ( -1.643 0.000 8.639) 8.794 1.205 ( -4.534 0.000 -0.882) 4.619 1.205 ( 4.534 0.000 0.882) 4.619 1.258 ( -3.806 0.000 -6.952) 7.926 1.258 ( 3.806 0.000 6.952) 7.926 1.295 ( -1.144 0.000 -3.628) 3.804 1.295 ( 1.144 0.000 3.628) 3.804 1.391 ( -1.219 0.000 -1.898) 2.256 1.391 ( 1.219 0.000 1.898) 2.256 1.484 ( 2.355 0.000 -9.339) 9.631 1.484 ( -2.355 0.000 9.339) 9.631 1.572 ( 0.596 0.000 -2.505) 2.575 1.572 ( -0.596 0.000 2.505) 2.575 1.829 ( 0.802 0.000 -3.623) 3.711 1.829 ( -0.802 0.000 3.623) 3.711 1.897 ( 3.594 0.000 -2.531) 4.396 1.897 ( -3.594 0.000 2.531) 4.396 1.954 ( 6.260 0.000 -4.671) 7.810 1.954 ( -6.260 0.000 4.671) 7.810 2.089 ( 2.563 0.000 -3.261) 4.147 2.089 ( -2.563 0.000 3.261) 4.147 2.244 ( -0.438 0.000 -0.372) 0.575 2.244 ( 0.438 0.000 0.372) 0.575 2.295 ( 2.158 0.000 -1.483) 2.618 2.295 ( -2.158 0.000 1.483) 2.618 2.352 ( -0.023 0.000 -1.645) 1.645 2.352 ( 0.023 0.000 1.645) 1.645 2.379 ( 1.617 0.000 -1.461) 2.180 2.379 ( -1.617 0.000 1.461) 2.180 2.431 ( 0.555 0.000 -0.322) 0.641 2.431 ( -0.555 0.000 0.322) 0.641 2.511 ( -0.750 0.000 -2.281) 2.401 2.511 ( 0.750 0.000 2.281) 2.401 2.539 ( -1.143 0.000 -0.976) 1.503 2.539 ( 1.143 0.000 0.976) 1.503 2.574 ( 1.532 0.000 -1.377) 2.060 2.574 ( -1.532 0.000 1.377) 2.060 2.653 ( -2.527 0.000 -0.611) 2.600 2.653 ( 2.527 0.000 0.611) 2.600 2.731 ( -0.697 0.000 0.230) 0.734 2.731 ( 0.697 0.000 -0.230) 0.734 2.805 ( -0.217 0.000 -2.643) 2.652 2.805 ( 0.217 0.000 2.643) 2.652 2.813 ( 0.230 0.000 -1.783) 1.798 2.813 ( -0.230 0.000 1.783) 1.798 2.826 ( -1.351 0.000 -1.769) 2.226 2.826 ( 1.351 0.000 1.769) 2.226 2.926 ( 0.081 0.000 -0.360) 0.369 2.926 ( -0.081 0.000 0.360) 0.369 2.930 ( -1.522 0.000 -1.615) 2.220 2.930 ( 1.522 0.000 1.615) 2.220 3.071 ( -0.470 0.000 0.070) 0.475 3.071 ( 0.470 0.000 -0.070) 0.475 3.090 ( 3.044 0.000 -3.403) 4.566 3.090 ( -3.044 0.000 3.403) 4.566 3.147 ( 0.048 0.000 -1.630) 1.631 3.147 ( -0.048 0.000 1.630) 1.631 3.202 ( -0.855 0.000 0.020) 0.855 3.202 ( 0.855 0.000 -0.020) 0.855 3.220 ( -2.188 0.000 0.093) 2.190 3.220 ( 2.188 0.000 -0.093) 2.190 3.247 ( -0.103 0.000 -1.277) 1.281 3.247 ( 0.103 0.000 1.277) 1.281 3.331 ( 0.295 0.000 -3.926) 3.937 3.331 ( -0.295 0.000 3.926) 3.937 3.383 ( 0.556 0.000 -3.714) 3.756 3.383 ( -0.556 0.000 3.714) 3.756 3.489 ( 0.355 0.000 -0.519) 0.629 3.489 ( -0.355 0.000 0.519) 0.629 3.768 ( -1.105 0.000 -0.400) 1.175 3.768 ( 1.105 0.000 0.400) 1.175 3.801 ( -0.156 0.000 -0.580) 0.601 3.801 ( 0.156 0.000 0.580) 0.601 3.940 ( -1.206 0.000 -1.001) 1.568 3.940 ( 1.206 0.000 1.001) 1.568 3.990 ( -3.108 0.000 -1.513) 3.456 3.990 ( 3.108 0.000 1.513) 3.456 4.037 ( 1.156 0.000 -1.910) 2.233 4.037 ( -1.156 0.000 1.910) 2.233 4.155 ( -1.278 0.000 0.052) 1.279 4.155 ( 1.278 0.000 -0.052) 1.279 4.183 ( -2.079 0.000 -1.826) 2.767 4.183 ( 2.079 0.000 1.826) 2.767 4.240 ( 2.941 0.000 -2.626) 3.943 4.240 ( -2.941 0.000 2.626) 3.943 4.289 ( -1.185 0.000 -1.114) 1.627 4.289 ( 1.185 0.000 1.114) 1.627 4.354 ( -2.240 0.000 -2.277) 3.195 4.354 ( 2.240 0.000 2.277) 3.195 4.381 ( 0.212 0.000 -0.163) 0.267 4.381 ( -0.212 0.000 0.163) 0.267 4.448 ( -0.970 0.000 -0.998) 1.391 4.448 ( 0.970 0.000 0.998) 1.391 4.490 ( 0.299 0.000 -1.918) 1.941 4.490 ( -0.299 0.000 1.918) 1.941 4.528 ( 0.094 0.000 -0.360) 0.372 4.528 ( -0.094 0.000 0.360) 0.372 4.587 ( 0.090 0.000 -2.634) 2.635 4.587 ( -0.090 0.000 2.634) 2.635 4.601 ( -0.839 0.000 -0.303) 0.892 4.601 ( 0.839 0.000 0.303) 0.892 5.368 ( -0.030 0.000 -0.578) 0.579 5.368 ( 0.030 0.000 0.578) 0.579 5.395 ( 0.018 0.000 -1.233) 1.233 5.395 ( -0.018 0.000 1.233) 1.233 6.259 ( -0.010 0.000 -0.375) 0.375 6.259 ( 0.010 0.000 0.375) 0.375 6.431 ( -0.058 0.000 0.015) 0.060 6.431 ( 0.058 0.000 -0.015) 0.060 8.699 ( -0.317 0.000 -0.403) 0.513 8.699 ( 0.317 0.000 0.403) 0.513 8.807 ( -0.199 0.000 -3.901) 3.906 8.807 ( 0.199 0.000 3.901) 3.906 13.070 ( -0.173 0.000 -0.558) 0.584 13.070 ( 0.173 0.000 0.558) 0.584 13.102 ( 1.570 0.000 -0.531) 1.657 13.102 ( -1.570 0.000 0.531) 1.657 13.200 ( -0.541 0.000 -0.796) 0.962 13.200 ( 0.541 0.000 0.796) 0.962 13.265 ( 0.957 0.000 -0.543) 1.100 13.265 ( -0.957 0.000 0.543) 1.100 13.285 ( -3.004 0.000 -0.485) 3.043 13.285 ( 3.004 0.000 0.485) 3.043 13.307 ( -2.672 0.000 -0.243) 2.683 13.307 ( 2.672 0.000 0.243) 2.683 13.368 ( 0.517 0.000 -1.803) 1.875 13.368 ( -0.517 0.000 1.803) 1.875 13.450 ( -0.825 0.000 -4.088) 4.170 13.450 ( 0.825 0.000 4.088) 4.170 13.549 ( 0.268 0.000 -4.879) 4.887 13.549 ( -0.268 0.000 4.879) 4.887 13.812 ( -0.646 0.000 -2.970) 3.039 13.812 ( 0.646 0.000 2.970) 3.039 ======================= Grid point 67 (35/42) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 1.846 0.000 3.830) 4.251 0.678 ( 3.171 0.000 -1.226) 3.400 0.710 ( -1.962 0.000 -4.750) 5.139 0.776 ( -5.305 0.000 -2.675) 5.941 0.820 ( 3.407 0.000 -0.263) 3.417 0.863 ( 1.136 0.000 1.720) 2.062 0.919 ( -1.830 0.000 -1.432) 2.324 1.001 ( -3.048 0.000 1.731) 3.505 1.009 ( -3.057 0.000 1.606) 3.453 1.036 ( -6.047 0.000 4.872) 7.766 1.085 ( -3.908 0.000 -2.827) 4.824 1.116 ( 0.171 0.000 -2.912) 2.917 1.196 ( 3.225 0.000 0.877) 3.342 1.262 ( 0.655 0.000 -1.442) 1.584 1.305 ( 3.324 0.000 -2.971) 4.458 1.306 ( 3.817 0.000 -6.863) 7.853 1.307 ( 0.811 0.000 10.351) 10.383 1.371 ( 2.869 0.000 3.483) 4.513 1.386 ( 0.250 0.000 1.554) 1.574 1.426 ( 1.321 0.000 -0.589) 1.446 1.430 ( 0.290 0.000 4.362) 4.372 1.461 ( -1.653 0.000 -6.034) 6.256 1.556 ( -2.170 0.000 1.063) 2.416 1.583 ( -1.554 0.000 -1.642) 2.261 1.804 ( -0.235 0.000 -0.378) 0.445 1.816 ( -1.537 0.000 1.786) 2.356 1.870 ( -0.454 0.000 3.092) 3.125 1.894 ( -0.322 0.000 0.793) 0.856 1.984 ( 4.607 0.000 -3.613) 5.855 2.055 ( -1.147 0.000 1.959) 2.270 2.086 ( 7.588 0.000 -5.868) 9.592 2.123 ( 1.118 0.000 -1.684) 2.021 2.234 ( -0.523 0.000 -1.548) 1.634 2.239 ( -3.683 0.000 4.762) 6.020 2.258 ( 1.286 0.000 2.161) 2.514 2.323 ( 1.249 0.000 -1.214) 1.742 2.345 ( -0.794 0.000 -4.436) 4.507 2.353 ( 0.051 0.000 0.688) 0.690 2.366 ( -0.198 0.000 2.214) 2.223 2.398 ( -2.551 0.000 1.384) 2.902 2.419 ( -1.225 0.000 0.683) 1.402 2.421 ( 2.399 0.000 -0.349) 2.425 2.488 ( -1.254 0.000 -1.497) 1.953 2.496 ( -2.506 0.000 0.206) 2.515 2.529 ( -0.030 0.000 1.632) 1.632 2.562 ( 0.137 0.000 -0.815) 0.827 2.563 ( 1.168 0.000 2.963) 3.185 2.592 ( -2.619 0.000 -0.918) 2.776 2.619 ( 2.051 0.000 -0.689) 2.164 2.683 ( 0.647 0.000 1.219) 1.380 2.739 ( 0.987 0.000 -1.082) 1.464 2.747 ( -1.231 0.000 -1.516) 1.952 2.768 ( -1.945 0.000 -1.301) 2.340 2.769 ( 0.253 0.000 -1.314) 1.338 2.808 ( -1.337 0.000 1.151) 1.764 2.815 ( -0.837 0.000 -2.415) 2.556 2.837 ( 0.995 0.000 2.835) 3.005 2.864 ( 1.468 0.000 -1.712) 2.255 2.895 ( -0.794 0.000 -2.877) 2.985 2.910 ( -0.905 0.000 -0.445) 1.009 2.918 ( -0.715 0.000 1.802) 1.939 2.948 ( 0.546 0.000 1.527) 1.622 3.009 ( -4.395 0.000 3.770) 5.790 3.059 ( -2.349 0.000 1.006) 2.555 3.060 ( -0.275 0.000 -1.593) 1.617 3.079 ( -1.748 0.000 0.149) 1.755 3.129 ( -1.677 0.000 2.460) 2.978 3.133 ( -1.329 0.000 -0.469) 1.409 3.223 ( 2.261 0.000 -2.777) 3.581 3.223 ( 2.088 0.000 -0.674) 2.194 3.228 ( 1.354 0.000 1.461) 1.992 3.252 ( 1.569 0.000 0.289) 1.595 3.268 ( 1.801 0.000 -1.455) 2.315 3.302 ( 3.848 0.000 0.466) 3.876 3.345 ( 0.947 0.000 2.479) 2.654 3.356 ( 1.749 0.000 -3.275) 3.713 3.371 ( -0.911 0.000 2.956) 3.094 3.392 ( 0.440 0.000 -3.424) 3.452 3.485 ( 0.005 0.000 1.174) 1.174 3.491 ( -0.179 0.000 -0.295) 0.346 3.753 ( -0.355 0.000 0.814) 0.888 3.786 ( 0.769 0.000 -0.108) 0.777 3.789 ( -1.171 0.000 -1.131) 1.628 3.800 ( -0.152 0.000 -0.030) 0.155 3.920 ( -0.805 0.000 -0.988) 1.274 3.939 ( -2.226 0.000 -0.278) 2.243 3.965 ( 1.522 0.000 0.765) 1.704 4.017 ( -1.129 0.000 1.339) 1.751 4.045 ( 2.677 0.000 1.178) 2.925 4.058 ( 1.288 0.000 -1.949) 2.336 4.129 ( -2.025 0.000 2.321) 3.080 4.138 ( -2.453 0.000 -1.651) 2.957 4.183 ( 1.046 0.000 1.277) 1.651 4.186 ( -1.357 0.000 -0.292) 1.388 4.228 ( 2.082 0.000 2.937) 3.601 4.250 ( 0.020 0.000 -2.627) 2.627 4.316 ( 0.630 0.000 -2.267) 2.353 4.321 ( 1.579 0.000 0.961) 1.849 4.325 ( 1.190 0.000 -2.643) 2.898 4.363 ( -2.121 0.000 0.240) 2.135 4.369 ( -0.830 0.000 0.073) 0.833 4.396 ( 0.966 0.000 1.606) 1.875 4.436 ( 0.362 0.000 -0.635) 0.731 4.461 ( 0.176 0.000 2.009) 2.017 4.485 ( -0.050 0.000 0.940) 0.941 4.490 ( -0.082 0.000 -0.792) 0.796 4.533 ( 0.277 0.000 -0.643) 0.700 4.533 ( 0.439 0.000 0.176) 0.473 4.566 ( -1.691 0.000 -2.009) 2.626 4.578 ( -1.050 0.000 2.551) 2.758 4.598 ( 0.400 0.000 -1.562) 1.612 4.608 ( -0.064 0.000 0.597) 0.600 5.366 ( -0.116 0.000 -0.317) 0.338 5.367 ( -0.145 0.000 0.692) 0.707 5.394 ( -0.012 0.000 -1.331) 1.331 5.395 ( -0.064 0.000 1.021) 1.023 6.260 ( 0.071 0.000 -0.342) 0.349 6.260 ( 0.055 0.000 0.351) 0.355 6.432 ( 0.078 0.000 -0.010) 0.079 6.433 ( 0.077 0.000 0.009) 0.078 8.705 ( 0.874 0.000 0.313) 0.928 8.713 ( 1.001 0.000 -0.345) 1.059 8.798 ( -0.483 0.000 -3.380) 3.415 8.806 ( -0.529 0.000 3.397) 3.438 13.064 ( -0.672 0.000 -0.238) 0.713 13.064 ( -0.346 0.000 -0.690) 0.772 13.094 ( 0.635 0.000 2.022) 2.119 13.135 ( 1.590 0.000 -0.928) 1.841 13.169 ( -2.318 0.000 -0.785) 2.448 13.205 ( -0.085 0.000 0.310) 0.321 13.241 ( -0.218 0.000 0.072) 0.230 13.253 ( -2.237 0.000 0.841) 2.390 13.279 ( 0.705 0.000 0.093) 0.711 13.281 ( 0.763 0.000 -0.384) 0.854 13.339 ( 1.053 0.000 3.478) 3.634 13.352 ( 2.350 0.000 1.578) 2.831 13.374 ( 0.748 0.000 -0.405) 0.851 13.395 ( 1.240 0.000 -4.506) 4.674 13.437 ( 0.666 0.000 -4.301) 4.352 13.468 ( 1.407 0.000 3.040) 3.350 13.536 ( -1.455 0.000 5.103) 5.307 13.544 ( -0.610 0.000 -3.859) 3.907 13.782 ( -1.921 0.000 -3.256) 3.780 13.800 ( -1.914 0.000 2.862) 3.443 ======================= Grid point 68 (36/42) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -5.126 0.000 -3.162) 6.023 0.660 ( 5.126 0.000 3.162) 6.023 0.700 ( 1.088 0.000 -1.826) 2.126 0.700 ( -1.088 0.000 1.826) 2.126 0.887 ( 1.776 0.000 -3.665) 4.073 0.887 ( -1.776 0.000 3.665) 4.073 0.926 ( 1.515 0.000 -3.077) 3.429 0.926 ( -1.515 0.000 3.077) 3.429 0.957 ( 2.409 0.000 -2.493) 3.467 0.957 ( -2.409 0.000 2.493) 3.467 1.087 ( -2.283 0.000 -5.449) 5.907 1.087 ( 2.283 0.000 5.449) 5.907 1.254 ( -1.574 0.000 -2.714) 3.138 1.254 ( 1.574 0.000 2.714) 3.138 1.321 ( -0.659 0.000 -9.973) 9.994 1.321 ( 0.659 0.000 9.973) 9.994 1.367 ( 2.170 0.000 -2.015) 2.961 1.367 ( -2.170 0.000 2.015) 2.961 1.398 ( -1.472 0.000 -4.276) 4.523 1.398 ( 1.472 0.000 4.276) 4.523 1.487 ( 0.144 0.000 -0.273) 0.309 1.487 ( -0.144 0.000 0.273) 0.309 1.522 ( -1.944 0.000 -1.049) 2.209 1.522 ( 1.944 0.000 1.049) 2.209 1.806 ( -0.169 0.000 -1.841) 1.848 1.806 ( 0.169 0.000 1.841) 1.848 1.884 ( -1.469 0.000 0.291) 1.497 1.884 ( 1.469 0.000 -0.291) 1.497 2.036 ( 1.456 0.000 -1.251) 1.919 2.036 ( -1.456 0.000 1.251) 1.919 2.163 ( 3.387 0.000 -3.644) 4.975 2.163 ( -3.387 0.000 3.644) 4.975 2.200 ( 3.576 0.000 -1.479) 3.870 2.200 ( -3.576 0.000 1.479) 3.870 2.306 ( -3.121 0.000 -4.628) 5.582 2.306 ( 3.121 0.000 4.628) 5.582 2.350 ( 1.470 0.000 -3.907) 4.174 2.350 ( -1.470 0.000 3.907) 4.174 2.361 ( -0.155 0.000 -0.989) 1.001 2.361 ( 0.155 0.000 0.989) 1.001 2.429 ( -2.128 0.000 0.021) 2.128 2.429 ( 2.128 0.000 -0.021) 2.128 2.470 ( 0.784 0.000 -0.842) 1.150 2.470 ( -0.784 0.000 0.842) 1.150 2.542 ( -1.925 0.000 -0.356) 1.958 2.542 ( 1.925 0.000 0.356) 1.958 2.572 ( 0.514 0.000 -2.388) 2.442 2.572 ( -0.514 0.000 2.388) 2.442 2.667 ( 2.425 0.000 -2.025) 3.160 2.667 ( -2.425 0.000 2.025) 3.160 2.730 ( 0.370 0.000 -3.726) 3.744 2.730 ( -0.370 0.000 3.726) 3.744 2.765 ( -0.523 0.000 -0.252) 0.580 2.765 ( 0.523 0.000 0.252) 0.580 2.798 ( -0.598 0.000 -0.952) 1.124 2.798 ( 0.598 0.000 0.952) 1.124 2.860 ( -1.436 0.000 -0.280) 1.463 2.860 ( 1.436 0.000 0.280) 1.463 2.907 ( 0.318 0.000 -3.020) 3.037 2.907 ( -0.318 0.000 3.020) 3.037 2.922 ( 2.776 0.000 -2.570) 3.783 2.922 ( -2.776 0.000 2.570) 3.783 3.001 ( 3.006 0.000 -2.590) 3.968 3.001 ( -3.006 0.000 2.590) 3.968 3.064 ( -0.560 0.000 -0.156) 0.581 3.064 ( 0.560 0.000 0.156) 0.581 3.114 ( -0.256 0.000 -1.075) 1.105 3.114 ( 0.256 0.000 1.075) 1.105 3.241 ( 0.231 0.000 -2.507) 2.517 3.241 ( -0.231 0.000 2.507) 2.517 3.260 ( 0.873 0.000 -0.823) 1.200 3.260 ( -0.873 0.000 0.823) 1.200 3.315 ( 3.159 0.000 -1.366) 3.442 3.315 ( -3.159 0.000 1.366) 3.442 3.356 ( -1.703 0.000 -2.423) 2.961 3.356 ( 1.703 0.000 2.423) 2.961 3.386 ( -1.185 0.000 -1.905) 2.244 3.386 ( 1.185 0.000 1.905) 2.244 3.488 ( -0.101 0.000 -0.845) 0.851 3.488 ( 0.101 0.000 0.845) 0.851 3.762 ( -1.261 0.000 -2.228) 2.561 3.762 ( 1.261 0.000 2.228) 2.561 3.796 ( -0.305 0.000 -0.301) 0.429 3.796 ( 0.305 0.000 0.301) 0.429 3.915 ( 0.433 0.000 -0.826) 0.933 3.915 ( -0.433 0.000 0.826) 0.933 3.994 ( -1.500 0.000 0.057) 1.501 3.994 ( 1.500 0.000 -0.057) 1.501 4.085 ( 1.229 0.000 -0.900) 1.523 4.085 ( -1.229 0.000 0.900) 1.523 4.093 ( -1.560 0.000 -2.505) 2.952 4.093 ( 1.560 0.000 2.505) 2.952 4.184 ( 0.579 0.000 -0.772) 0.965 4.184 ( -0.579 0.000 0.772) 0.965 4.261 ( -0.552 0.000 -2.807) 2.861 4.261 ( 0.552 0.000 2.807) 2.861 4.311 ( 1.786 0.000 -1.476) 2.317 4.311 ( -1.786 0.000 1.476) 2.317 4.347 ( -0.613 0.000 -1.842) 1.941 4.347 ( 0.613 0.000 1.842) 1.941 4.380 ( -1.980 0.000 0.220) 1.993 4.380 ( 1.980 0.000 -0.220) 1.993 4.455 ( 0.862 0.000 -1.975) 2.155 4.455 ( -0.862 0.000 1.975) 2.155 4.490 ( 0.225 0.000 -1.000) 1.025 4.490 ( -0.225 0.000 1.000) 1.025 4.536 ( 0.121 0.000 -0.400) 0.418 4.536 ( -0.121 0.000 0.400) 0.418 4.555 ( 0.975 0.000 -2.376) 2.569 4.555 ( -0.975 0.000 2.376) 2.569 4.605 ( 0.325 0.000 -1.598) 1.631 4.605 ( -0.325 0.000 1.598) 1.631 5.365 ( 0.049 0.000 -0.423) 0.426 5.365 ( -0.049 0.000 0.423) 0.426 5.394 ( 0.042 0.000 -1.131) 1.132 5.394 ( -0.042 0.000 1.131) 1.132 6.261 ( 0.026 0.000 -0.319) 0.320 6.261 ( -0.026 0.000 0.319) 0.320 6.433 ( 0.058 0.000 -0.032) 0.067 6.433 ( -0.058 0.000 0.032) 0.067 8.720 ( -0.415 0.000 -1.243) 1.311 8.720 ( 0.415 0.000 1.243) 1.311 8.795 ( 0.475 0.000 -2.685) 2.726 8.795 ( -0.475 0.000 2.685) 2.726 13.058 ( -0.119 0.000 -0.339) 0.360 13.058 ( 0.119 0.000 0.339) 0.360 13.117 ( -1.720 0.000 -2.236) 2.821 13.117 ( 1.720 0.000 2.236) 2.821 13.182 ( -2.105 0.000 -0.218) 2.117 13.182 ( 2.105 0.000 0.218) 2.117 13.238 ( -0.181 0.000 -1.042) 1.058 13.238 ( 0.181 0.000 1.042) 1.058 13.290 ( 0.149 0.000 -0.082) 0.170 13.290 ( -0.149 0.000 0.082) 0.170 13.361 ( -0.981 0.000 -1.051) 1.438 13.361 ( 0.981 0.000 1.051) 1.438 13.386 ( -0.844 0.000 -2.137) 2.298 13.386 ( 0.844 0.000 2.137) 2.298 13.478 ( 2.228 0.000 -4.461) 4.986 13.478 ( -2.228 0.000 4.461) 4.986 13.524 ( -1.105 0.000 -2.942) 3.142 13.524 ( 1.105 0.000 2.942) 3.142 13.768 ( 0.943 0.000 -3.050) 3.192 13.768 ( -0.943 0.000 3.050) 3.192 ======================= Grid point 71 (37/42) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 2.291 5.136 -2.669) 6.225 0.659 ( -2.291 5.136 2.669) 6.225 0.795 ( -1.353 1.925 -3.674) 4.362 0.795 ( 1.353 1.925 3.674) 4.362 0.864 ( 0.152 -1.669 -3.301) 3.702 0.864 ( -0.152 -1.669 3.301) 3.702 0.920 ( -5.656 -1.442 0.950) 5.914 0.920 ( 5.656 -1.442 -0.950) 5.914 1.044 ( -1.925 -1.224 -0.965) 2.478 1.044 ( 1.925 -1.224 0.965) 2.478 1.120 ( 1.748 -0.391 -1.722) 2.485 1.120 ( -1.748 -0.391 1.722) 2.485 1.183 ( -2.190 -3.964 -4.531) 6.406 1.183 ( 2.190 -3.964 4.531) 6.406 1.260 ( -0.363 0.281 -2.734) 2.772 1.260 ( 0.363 0.281 2.734) 2.772 1.328 ( -0.936 1.983 -4.401) 4.917 1.328 ( 0.936 1.983 4.401) 4.917 1.387 ( -1.733 -0.122 -3.952) 4.317 1.387 ( 1.733 -0.122 3.952) 4.317 1.457 ( -0.009 -0.670 -5.648) 5.688 1.457 ( 0.009 -0.670 5.648) 5.688 1.612 ( 2.407 -0.055 -1.414) 2.792 1.612 ( -2.407 -0.055 1.414) 2.792 1.791 ( 0.809 -1.846 -3.584) 4.112 1.791 ( -0.809 -1.846 3.584) 4.112 1.866 ( -0.787 -2.010 -1.358) 2.550 1.866 ( 0.787 -2.010 1.358) 2.550 1.952 ( 4.850 -0.169 -4.076) 6.337 1.952 ( -4.850 -0.169 4.076) 6.337 2.035 ( 1.069 -3.516 -2.415) 4.397 2.035 ( -1.069 -3.516 2.415) 4.397 2.260 ( -1.224 0.739 -3.299) 3.596 2.260 ( 1.224 0.739 3.299) 3.596 2.281 ( 2.217 -1.523 -3.967) 4.793 2.281 ( -2.217 -1.523 3.967) 4.793 2.352 ( -1.165 1.547 -0.317) 1.963 2.352 ( 1.165 1.547 0.317) 1.963 2.399 ( 0.507 0.983 -3.107) 3.298 2.399 ( -0.507 0.983 3.107) 3.298 2.475 ( -0.326 3.564 -2.050) 4.124 2.475 ( 0.326 3.564 2.050) 4.124 2.521 ( -0.865 0.656 -1.394) 1.767 2.521 ( 0.865 0.656 1.394) 1.767 2.575 ( -0.717 0.739 -2.258) 2.481 2.575 ( 0.717 0.739 2.258) 2.481 2.615 ( 0.823 4.176 -0.870) 4.344 2.615 ( -0.823 4.176 0.870) 4.344 2.668 ( -0.809 1.635 0.026) 1.824 2.668 ( 0.809 1.635 -0.026) 1.824 2.718 ( -2.139 -2.669 -1.606) 3.779 2.718 ( 2.139 -2.669 1.606) 3.779 2.767 ( 1.624 0.481 -1.216) 2.085 2.767 ( -1.624 0.481 1.216) 2.085 2.820 ( -0.468 0.319 -2.706) 2.765 2.820 ( 0.468 0.319 2.706) 2.765 2.854 ( 0.303 0.731 -1.473) 1.672 2.854 ( -0.303 0.731 1.473) 1.672 2.915 ( 0.207 -1.337 -2.873) 3.176 2.915 ( -0.207 -1.337 2.873) 3.176 2.931 ( 0.022 -0.231 -2.311) 2.323 2.931 ( -0.022 -0.231 2.311) 2.323 3.019 ( -1.021 -3.787 -1.258) 4.119 3.019 ( 1.021 -3.787 1.258) 4.119 3.091 ( 0.760 -0.130 -3.687) 3.767 3.091 ( -0.760 -0.130 3.687) 3.767 3.105 ( 0.745 -1.143 -2.014) 2.432 3.105 ( -0.745 -1.143 2.014) 2.432 3.177 ( -0.698 -2.267 -2.023) 3.118 3.177 ( 0.698 -2.267 2.023) 3.118 3.235 ( -3.268 -1.276 0.330) 3.524 3.235 ( 3.268 -1.276 -0.330) 3.524 3.261 ( 0.185 2.070 -0.844) 2.243 3.261 ( -0.185 2.070 0.844) 2.243 3.313 ( 0.857 -0.177 -1.290) 1.558 3.313 ( -0.857 -0.177 1.290) 1.558 3.440 ( -1.776 2.723 -1.330) 3.512 3.440 ( 1.776 2.723 1.330) 3.512 3.480 ( -0.939 -0.253 -1.388) 1.695 3.480 ( 0.939 -0.253 1.388) 1.695 3.772 ( 0.368 0.028 -1.361) 1.410 3.772 ( -0.368 0.028 1.361) 1.410 3.811 ( 0.020 0.853 -0.467) 0.972 3.811 ( -0.020 0.853 0.467) 0.972 3.958 ( -0.899 1.301 -0.450) 1.645 3.958 ( 0.899 1.301 0.450) 1.645 3.987 ( -1.753 0.155 -1.231) 2.147 3.987 ( 1.753 0.155 1.231) 2.147 4.041 ( 1.213 0.545 -2.109) 2.493 4.041 ( -1.213 0.545 2.109) 2.493 4.138 ( -0.909 -1.025 -1.779) 2.245 4.138 ( 0.909 -1.025 1.779) 2.245 4.217 ( -2.156 1.897 -1.148) 3.093 4.217 ( 2.156 1.897 1.148) 3.093 4.246 ( 2.838 0.692 -2.868) 4.094 4.246 ( -2.838 0.692 2.868) 4.094 4.292 ( -1.006 0.346 -1.492) 1.833 4.292 ( 1.006 0.346 1.492) 1.833 4.340 ( -1.678 -1.070 -2.194) 2.962 4.340 ( 1.678 -1.070 2.194) 2.962 4.378 ( -1.045 -0.180 -0.377) 1.126 4.378 ( 1.045 -0.180 0.377) 1.126 4.432 ( 0.187 -1.295 -1.027) 1.663 4.432 ( -0.187 -1.295 1.027) 1.663 4.479 ( 0.523 -1.178 -1.548) 2.014 4.479 ( -0.523 -1.178 1.548) 2.014 4.505 ( 0.236 -1.717 -0.441) 1.789 4.505 ( -0.236 -1.717 0.441) 1.789 4.590 ( 0.156 0.780 -0.983) 1.265 4.590 ( -0.156 0.780 0.983) 1.265 4.619 ( -0.194 0.693 -0.595) 0.934 4.619 ( 0.194 0.693 0.595) 0.934 5.368 ( -0.026 0.034 -0.416) 0.419 5.368 ( 0.026 0.034 0.416) 0.419 5.394 ( -0.005 -0.101 -0.831) 0.838 5.394 ( 0.005 -0.101 0.831) 0.838 6.261 ( -0.004 0.111 -0.268) 0.290 6.261 ( 0.004 0.111 0.268) 0.290 6.431 ( 0.032 -0.036 -0.022) 0.053 6.431 ( -0.032 -0.036 0.022) 0.053 8.705 ( -0.239 0.514 -0.469) 0.736 8.705 ( 0.239 0.514 0.469) 0.736 8.798 ( -0.156 -0.762 -2.874) 2.977 8.798 ( 0.156 -0.762 2.874) 2.977 13.072 ( -0.718 0.239 -0.933) 1.201 13.072 ( 0.718 0.239 0.933) 1.201 13.122 ( -1.458 1.454 -1.284) 2.426 13.122 ( 1.458 1.454 1.284) 2.426 13.206 ( -1.319 0.729 -0.483) 1.583 13.206 ( 1.319 0.729 0.483) 1.583 13.257 ( 1.201 -0.945 -1.253) 1.977 13.257 ( -1.201 -0.945 1.253) 1.977 13.294 ( -2.260 0.624 -0.491) 2.395 13.294 ( 2.260 0.624 0.491) 2.395 13.321 ( 0.426 0.791 -1.667) 1.894 13.321 ( -0.426 0.791 1.667) 1.894 13.378 ( 0.735 1.228 -2.893) 3.228 13.378 ( -0.735 1.228 2.893) 3.228 13.450 ( -1.235 -0.378 -4.055) 4.256 13.450 ( 1.235 -0.378 4.055) 4.256 13.552 ( 0.495 0.891 -4.146) 4.269 13.552 ( -0.495 0.891 4.146) 4.269 13.768 ( -0.460 -3.968 -3.069) 5.037 13.768 ( 0.460 -3.968 3.069) 5.037 ======================= Grid point 73 (38/42) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.380 4.085 3.728) 5.543 0.709 ( 1.532 3.534 -1.618) 4.178 0.760 ( -1.664 1.861 -4.387) 5.048 0.782 ( -4.669 -0.334 0.175) 4.685 0.827 ( -2.404 -0.382 2.107) 3.219 0.839 ( -0.523 -3.716 2.189) 4.345 0.896 ( 1.795 1.866 -4.852) 5.499 0.933 ( -3.686 -4.834 4.303) 7.448 1.006 ( -1.984 -0.912 -2.188) 3.091 1.053 ( -3.537 3.900 0.828) 5.329 1.070 ( 3.284 0.469 -3.199) 4.608 1.152 ( 2.170 -1.011 0.842) 2.538 1.183 ( -0.022 0.733 -3.915) 3.983 1.191 ( -1.052 -3.871 3.604) 5.393 1.277 ( 1.705 -1.337 0.569) 2.240 1.304 ( 1.151 -3.011 2.585) 4.133 1.334 ( -0.911 1.674 -2.485) 3.132 1.342 ( 1.508 -2.557 1.616) 3.380 1.380 ( 2.437 0.093 -0.985) 2.630 1.402 ( 0.420 0.479 3.212) 3.275 1.464 ( 1.180 -0.319 -2.794) 3.049 1.485 ( 3.111 3.685 1.678) 5.106 1.569 ( -2.236 -0.288 1.358) 2.632 1.649 ( -1.377 3.999 -2.946) 5.155 1.730 ( -0.841 -5.503 0.559) 5.595 1.794 ( -3.030 -2.215 1.320) 3.978 1.837 ( 0.471 -2.489 1.220) 2.812 1.883 ( -0.951 -1.734 1.135) 2.280 1.934 ( 2.376 -1.613 -0.669) 2.949 2.003 ( -0.849 -4.455 1.047) 4.655 2.058 ( 3.841 -2.210 -4.602) 6.388 2.072 ( 3.093 -3.443 -2.106) 5.085 2.226 ( -1.561 2.050 1.862) 3.180 2.246 ( -1.289 0.936 1.172) 1.978 2.291 ( 1.185 -0.467 3.211) 3.454 2.310 ( -0.217 -1.053 0.339) 1.127 2.341 ( 0.740 1.116 -1.999) 2.406 2.357 ( -0.067 0.212 -2.337) 2.348 2.404 ( 1.446 3.071 1.246) 3.615 2.428 ( 1.261 1.106 -0.714) 1.823 2.456 ( -1.536 2.466 -0.760) 3.003 2.477 ( -0.330 3.725 0.376) 3.759 2.491 ( -1.545 2.326 -0.907) 2.936 2.529 ( 0.080 0.603 1.885) 1.981 2.553 ( -1.401 1.155 -1.303) 2.235 2.592 ( 0.408 1.531 1.199) 1.987 2.604 ( -0.327 2.452 0.424) 2.510 2.629 ( -2.490 2.539 2.602) 4.407 2.639 ( 1.672 2.617 -0.063) 3.106 2.673 ( -0.241 0.153 -0.334) 0.439 2.691 ( -0.222 -1.082 -1.314) 1.717 2.746 ( 0.050 -3.083 1.580) 3.465 2.759 ( 0.257 0.779 -1.493) 1.704 2.786 ( -1.860 -0.600 -1.648) 2.556 2.807 ( -1.186 2.310 1.065) 2.807 2.816 ( 2.637 -0.375 -2.796) 3.862 2.846 ( -2.503 -0.672 -4.232) 4.962 2.868 ( 1.115 -0.167 -0.330) 1.174 2.873 ( -0.229 1.073 2.760) 2.970 2.901 ( -0.331 -0.806 1.054) 1.367 2.944 ( 0.234 0.020 -0.177) 0.294 2.958 ( 1.261 -0.776 1.214) 1.914 2.993 ( -1.920 -1.276 1.190) 2.595 2.998 ( -3.064 -1.981 0.467) 3.679 3.055 ( -1.407 -0.407 -0.043) 1.465 3.064 ( -2.397 -0.659 0.931) 2.654 3.103 ( 0.577 -3.062 -0.557) 3.166 3.119 ( -1.020 -1.007 -1.070) 1.789 3.154 ( -0.560 -3.643 0.429) 3.711 3.187 ( -0.959 -3.057 0.327) 3.220 3.221 ( 3.079 -0.470 0.146) 3.118 3.261 ( 0.649 -1.371 2.740) 3.132 3.283 ( 0.994 0.730 -0.165) 1.244 3.315 ( 3.604 0.890 -0.909) 3.822 3.331 ( -0.093 -0.799 -1.115) 1.375 3.338 ( 3.548 1.862 -0.896) 4.105 3.414 ( -0.860 1.677 -2.234) 2.923 3.442 ( -1.792 1.368 -0.230) 2.266 3.488 ( 2.187 1.421 0.711) 2.703 3.505 ( 1.272 1.061 1.109) 1.993 3.749 ( -1.095 -0.225 0.850) 1.404 3.772 ( -1.377 -1.133 -1.673) 2.446 3.799 ( 0.103 1.002 0.507) 1.128 3.818 ( -0.329 0.686 0.024) 0.761 3.942 ( -0.227 1.794 -0.020) 1.809 3.963 ( -0.814 2.117 -0.740) 2.385 3.976 ( 0.717 1.147 0.607) 1.482 4.005 ( -0.688 -1.130 0.196) 1.338 4.044 ( 2.104 0.993 2.272) 3.252 4.072 ( 2.252 0.672 -1.699) 2.900 4.131 ( -0.130 -0.061 -0.901) 0.912 4.160 ( -3.302 1.818 0.601) 3.817 4.164 ( 1.196 -1.333 1.412) 2.280 4.200 ( -1.888 0.751 0.885) 2.216 4.252 ( 0.854 0.266 -2.370) 2.533 4.257 ( 0.176 2.436 1.330) 2.781 4.304 ( 0.329 -0.800 -1.927) 2.112 4.312 ( -0.436 -0.395 -0.903) 1.077 4.327 ( 2.455 -0.601 -1.280) 2.833 4.351 ( -1.595 -0.801 0.207) 1.797 4.365 ( 0.170 -1.026 0.604) 1.202 4.388 ( 0.022 -0.269 1.702) 1.723 4.408 ( -0.752 -1.415 0.744) 1.767 4.440 ( 0.229 -1.667 -0.801) 1.864 4.474 ( -0.263 -0.560 1.884) 1.982 4.486 ( -1.133 -1.848 0.266) 2.184 4.495 ( 1.099 -1.372 -0.508) 1.830 4.514 ( 0.197 -1.531 -0.394) 1.593 4.583 ( -0.271 1.279 -0.897) 1.586 4.592 ( -0.246 0.803 -0.061) 0.842 4.616 ( 0.293 1.148 0.293) 1.221 4.626 ( 0.136 0.956 0.068) 0.968 5.367 ( -0.077 0.078 -0.190) 0.219 5.368 ( -0.095 0.058 0.445) 0.459 5.393 ( -0.029 -0.101 -0.612) 0.621 5.394 ( -0.056 -0.107 0.446) 0.462 6.261 ( 0.053 0.104 -0.186) 0.219 6.261 ( 0.044 0.092 0.193) 0.218 6.432 ( 0.085 -0.009 -0.010) 0.086 6.432 ( 0.085 -0.050 -0.013) 0.100 8.707 ( 0.507 0.253 0.058) 0.570 8.714 ( 0.556 0.040 -0.253) 0.612 8.793 ( -0.135 -0.361 -2.191) 2.225 8.799 ( -0.200 -0.549 2.368) 2.439 13.059 ( -0.331 0.431 0.550) 0.774 13.085 ( -0.586 -0.187 0.162) 0.636 13.098 ( 0.173 1.639 0.152) 1.655 13.141 ( 0.016 -0.067 -0.677) 0.681 13.185 ( -0.423 1.690 0.379) 1.783 13.221 ( -1.191 1.309 -0.466) 1.830 13.240 ( 1.299 1.119 -0.133) 1.720 13.271 ( 0.805 -1.044 -0.196) 1.332 13.282 ( -0.131 0.262 -0.039) 0.296 13.303 ( -0.526 2.648 0.840) 2.827 13.332 ( 0.405 -0.518 1.242) 1.405 13.352 ( 2.569 -0.325 -0.087) 2.591 13.363 ( 0.102 -0.736 1.385) 1.572 13.414 ( -0.610 0.898 -3.914) 4.062 13.423 ( 1.834 -0.033 -1.883) 2.629 13.480 ( 1.873 0.057 1.682) 2.518 13.528 ( -2.099 0.583 3.470) 4.097 13.549 ( -0.839 0.701 -2.137) 2.400 13.744 ( -1.451 -3.314 -3.130) 4.783 13.758 ( -1.515 -3.784 2.843) 4.970 ======================= Grid point 74 (39/42) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -3.284 0.659 -4.727) 5.793 0.675 ( 3.284 0.659 4.727) 5.793 0.740 ( -0.723 2.396 -4.134) 4.833 0.740 ( 0.723 2.396 4.134) 4.833 0.816 ( 1.041 -4.052 -7.122) 8.260 0.816 ( -1.041 -4.052 7.122) 8.260 0.911 ( -0.263 -1.382 -3.262) 3.552 0.911 ( 0.263 -1.382 3.262) 3.552 0.998 ( -1.434 4.947 -2.675) 5.804 0.998 ( 1.434 4.947 2.675) 5.804 1.143 ( 1.809 0.402 -1.398) 2.321 1.143 ( -1.809 0.402 1.398) 2.321 1.180 ( -0.152 -1.302 -5.080) 5.247 1.180 ( 0.152 -1.302 5.080) 5.247 1.293 ( -0.504 -3.007 -0.832) 3.160 1.293 ( 0.504 -3.007 0.832) 3.160 1.344 ( 0.787 -1.888 -2.146) 2.964 1.344 ( -0.787 -1.888 2.146) 2.964 1.412 ( 0.376 0.309 -1.843) 1.907 1.412 ( -0.376 0.309 1.843) 1.907 1.510 ( 1.780 1.230 -2.585) 3.371 1.510 ( -1.780 1.230 2.585) 3.371 1.569 ( -5.022 3.778 -1.476) 6.455 1.569 ( 5.022 3.778 1.476) 6.455 1.753 ( 1.604 -4.195 -1.645) 4.783 1.753 ( -1.604 -4.195 1.645) 4.783 1.857 ( 0.968 -2.524 -1.199) 2.957 1.857 ( -0.968 -2.524 1.199) 2.957 1.976 ( 0.796 -4.130 -1.033) 4.331 1.976 ( -0.796 -4.130 1.033) 4.331 2.102 ( 0.198 -3.685 -2.225) 4.309 2.102 ( -0.198 -3.685 2.225) 4.309 2.224 ( -0.420 3.014 -3.866) 4.920 2.224 ( 0.420 3.014 3.866) 4.920 2.296 ( -0.394 -0.987 -0.815) 1.339 2.296 ( 0.394 -0.987 0.815) 1.339 2.371 ( 0.141 0.547 -0.778) 0.961 2.371 ( -0.141 0.547 0.778) 0.961 2.415 ( -0.166 3.954 -2.030) 4.448 2.415 ( 0.166 3.954 2.030) 4.448 2.446 ( 0.208 1.158 -0.725) 1.382 2.446 ( -0.208 1.158 0.725) 1.382 2.522 ( 0.100 3.030 -1.306) 3.301 2.522 ( -0.100 3.030 1.306) 3.301 2.549 ( -2.357 0.707 -2.094) 3.231 2.549 ( 2.357 0.707 2.094) 3.231 2.613 ( 0.359 2.780 -1.385) 3.126 2.613 ( -0.359 2.780 1.385) 3.126 2.670 ( -0.105 0.689 -2.600) 2.692 2.670 ( 0.105 0.689 2.600) 2.692 2.704 ( -1.003 -0.918 -1.644) 2.133 2.704 ( 1.003 -0.918 1.644) 2.133 2.770 ( -1.691 -0.540 -0.905) 1.993 2.770 ( 1.691 -0.540 0.905) 1.993 2.798 ( -1.002 0.376 -2.974) 3.160 2.798 ( 1.002 0.376 2.974) 3.160 2.862 ( 0.759 0.310 -2.796) 2.913 2.862 ( -0.759 0.310 2.796) 2.913 2.904 ( -0.336 -0.448 -1.344) 1.456 2.904 ( 0.336 -0.448 1.344) 1.456 2.939 ( 0.120 0.928 -3.325) 3.454 2.939 ( -0.120 0.928 3.325) 3.454 2.977 ( -0.532 -2.240 -1.169) 2.582 2.977 ( 0.532 -2.240 1.169) 2.582 3.040 ( -0.076 -0.086 -0.924) 0.931 3.040 ( 0.076 -0.086 0.924) 0.931 3.103 ( -0.051 -1.856 -0.199) 1.867 3.103 ( 0.051 -1.856 0.199) 1.867 3.170 ( 0.341 -4.630 -0.598) 4.681 3.170 ( -0.341 -4.630 0.598) 4.681 3.266 ( 0.511 -1.455 -1.029) 1.854 3.266 ( -0.511 -1.455 1.029) 1.854 3.302 ( -1.025 0.364 -0.254) 1.117 3.302 ( 1.025 0.364 0.254) 1.117 3.374 ( -0.924 1.951 -0.073) 2.160 3.374 ( 0.924 1.951 0.073) 2.160 3.407 ( 1.128 0.506 -1.654) 2.064 3.407 ( -1.128 0.506 1.654) 2.064 3.516 ( 0.269 2.045 -0.705) 2.180 3.516 ( -0.269 2.045 0.705) 2.180 3.746 ( -0.603 -1.140 -2.192) 2.543 3.746 ( 0.603 -1.140 2.192) 2.543 3.807 ( 0.006 0.591 -0.766) 0.968 3.807 ( -0.006 0.591 0.766) 0.968 3.949 ( -0.403 2.636 -0.521) 2.717 3.949 ( 0.403 2.636 0.521) 2.717 3.989 ( -0.788 -0.136 -0.347) 0.872 3.989 ( 0.788 -0.136 0.347) 0.872 4.094 ( -3.078 1.420 -1.056) 3.551 4.094 ( 3.078 1.420 1.056) 3.551 4.115 ( 1.269 1.261 -2.906) 3.412 4.115 ( -1.269 1.261 2.906) 3.412 4.181 ( -0.383 -0.630 -0.918) 1.178 4.181 ( 0.383 -0.630 0.918) 1.178 4.259 ( 0.106 0.099 -2.059) 2.064 4.259 ( -0.106 0.099 2.059) 2.064 4.308 ( 0.446 -0.492 -1.205) 1.376 4.308 ( -0.446 -0.492 1.205) 1.376 4.341 ( -0.526 -0.580 -1.174) 1.411 4.341 ( 0.526 -0.580 1.174) 1.411 4.370 ( 1.504 -0.369 -2.509) 2.948 4.370 ( -1.504 -0.369 2.509) 2.948 4.431 ( -1.159 -2.370 -1.528) 3.048 4.431 ( 1.159 -2.370 1.528) 3.048 4.471 ( -0.149 -0.855 -0.819) 1.194 4.471 ( 0.149 -0.855 0.819) 1.194 4.511 ( -0.529 -1.365 -0.087) 1.467 4.511 ( 0.529 -1.365 0.087) 1.467 4.584 ( 0.379 1.340 -1.224) 1.854 4.584 ( -0.379 1.340 1.224) 1.854 4.624 ( -0.036 1.368 -0.865) 1.619 4.624 ( 0.036 1.368 0.865) 1.619 5.366 ( 0.037 0.101 -0.273) 0.294 5.366 ( -0.037 0.101 0.273) 0.294 5.393 ( 0.042 -0.107 -0.770) 0.778 5.393 ( -0.042 -0.107 0.770) 0.778 6.262 ( 0.015 0.084 -0.229) 0.245 6.262 ( -0.015 0.084 0.229) 0.245 6.433 ( 0.019 -0.023 -0.018) 0.035 6.433 ( -0.019 -0.023 0.018) 0.035 8.717 ( -0.279 -0.264 -0.835) 0.919 8.717 ( 0.279 -0.264 0.835) 0.919 8.794 ( 0.308 -0.105 -1.872) 1.900 8.794 ( -0.308 -0.105 1.872) 1.900 13.064 ( -0.844 0.621 -1.171) 1.572 13.064 ( 0.844 0.621 1.171) 1.572 13.121 ( -1.432 -0.009 -2.342) 2.745 13.121 ( 1.432 -0.009 2.342) 2.745 13.197 ( -1.097 1.733 -1.244) 2.399 13.197 ( 1.097 1.733 1.244) 2.399 13.267 ( -1.009 1.571 0.001) 1.867 13.267 ( 1.009 1.571 -0.001) 1.867 13.290 ( -0.926 0.577 -0.739) 1.318 13.290 ( 0.926 0.577 0.739) 1.318 13.351 ( -0.933 -1.405 -2.774) 3.247 13.351 ( 0.933 -1.405 2.774) 3.247 13.387 ( -1.175 0.141 -3.255) 3.463 13.387 ( 1.175 0.141 3.255) 3.463 13.480 ( 3.010 0.165 -3.592) 4.689 13.480 ( -3.010 0.165 3.592) 4.689 13.521 ( -2.135 0.338 -1.230) 2.487 13.521 ( 2.135 0.338 1.230) 2.487 13.733 ( 0.673 -3.069 -2.860) 4.249 13.733 ( -0.673 -3.069 2.860) 4.249 ======================= Grid point 77 (40/42) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 -0.000 0.000) 0.000 0.758 ( 0.000 0.000 0.000) 0.000 0.780 ( 0.000 -0.000 0.000) 0.000 0.780 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 -0.000 -0.000) 0.000 0.838 ( 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 1.065 ( -0.000 0.000 -0.000) 0.000 1.065 ( -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 1.176 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 -0.000 -0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 -0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.398 ( -0.000 -0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 -0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.549 ( -0.000 -0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.811 ( -0.000 -0.000 -0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 -0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.954 ( -0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.374 ( -0.000 0.000 -0.000) 0.000 2.374 ( -0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 -0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.516 ( -0.000 0.000 -0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.541 ( -0.000 -0.000 -0.000) 0.000 2.541 ( -0.000 0.000 0.000) 0.000 2.562 ( -0.000 0.000 -0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.666 ( -0.000 0.000 0.000) 0.000 2.666 ( -0.000 -0.000 0.000) 0.000 2.695 ( 0.000 -0.000 -0.000) 0.000 2.695 ( -0.000 0.000 0.000) 0.000 2.696 ( 0.000 -0.000 -0.000) 0.000 2.696 ( -0.000 -0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.809 ( -0.000 -0.000 0.000) 0.000 2.809 ( -0.000 -0.000 0.000) 0.000 2.876 ( -0.000 0.000 -0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 -0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.965 ( -0.000 0.000 0.000) 0.000 2.965 ( -0.000 0.000 0.000) 0.000 3.074 ( -0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 -0.000 -0.000) 0.000 3.132 ( 0.000 0.000 -0.000) 0.000 3.152 ( -0.000 -0.000 0.000) 0.000 3.152 ( -0.000 0.000 0.000) 0.000 3.196 ( -0.000 -0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 -0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.310 ( -0.000 -0.000 0.000) 0.000 3.310 ( -0.000 0.000 0.000) 0.000 3.460 ( -0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.488 ( -0.000 0.000 0.000) 0.000 3.488 ( -0.000 0.000 0.000) 0.000 3.771 ( -0.000 -0.000 0.000) 0.000 3.771 ( -0.000 0.000 0.000) 0.000 3.821 ( -0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.999 ( -0.000 0.000 -0.000) 0.000 3.999 ( -0.000 0.000 0.000) 0.000 4.053 ( -0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 -0.000) 0.000 4.234 ( -0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 -0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.310 ( -0.000 -0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.327 ( -0.000 -0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 -0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.402 ( -0.000 0.000 0.000) 0.000 4.468 ( 0.000 -0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 0.000) 0.000 4.604 ( -0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.622 ( -0.000 0.000 0.000) 0.000 4.622 ( -0.000 0.000 0.000) 0.000 5.369 ( -0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.392 ( -0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 6.262 ( -0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.431 ( -0.000 0.000 0.000) 0.000 6.431 ( -0.000 0.000 0.000) 0.000 8.712 ( -0.000 0.000 0.000) 0.000 8.712 ( -0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 13.075 ( -0.000 0.000 0.000) 0.000 13.075 ( -0.000 0.000 0.000) 0.000 13.140 ( -0.000 -0.000 0.000) 0.000 13.140 ( -0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000 13.296 ( -0.000 0.000 0.000) 0.000 13.296 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.419 ( -0.000 0.000 -0.000) 0.000 13.419 ( -0.000 0.000 0.000) 0.000 13.421 ( 0.000 -0.000 -0.000) 0.000 13.421 ( 0.000 -0.000 0.000) 0.000 13.582 ( 0.000 0.000 0.000) 0.000 13.582 ( 0.000 0.000 0.000) 0.000 13.703 ( -0.000 0.000 0.000) 0.000 13.703 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 81 (41/42) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -3.841 -2.638 1.658) 4.945 0.704 ( -3.841 2.638 1.658) 4.945 0.774 ( -3.274 -1.856 2.495) 4.515 0.774 ( -3.274 1.856 2.495) 4.515 0.836 ( 2.393 -2.182 1.474) 3.558 0.836 ( 2.393 2.182 1.474) 3.558 0.889 ( -1.767 -2.091 -5.168) 5.848 0.889 ( -1.767 2.091 -5.168) 5.848 1.018 ( 0.785 -2.734 -2.942) 4.092 1.018 ( 0.785 2.734 -2.942) 4.092 1.139 ( -1.642 -3.097 0.204) 3.511 1.139 ( -1.642 3.097 0.204) 3.511 1.211 ( 3.302 -5.237 2.835) 6.810 1.211 ( 3.302 5.237 2.835) 6.810 1.242 ( 1.604 -4.565 -0.149) 4.841 1.242 ( 1.604 4.565 -0.149) 4.841 1.293 ( -1.527 -2.947 -0.483) 3.354 1.293 ( -1.527 2.947 -0.483) 3.354 1.428 ( 1.978 -2.097 2.116) 3.576 1.428 ( 1.978 2.097 2.116) 3.576 1.482 ( -0.627 -6.664 -1.356) 6.829 1.482 ( -0.627 6.664 -1.356) 6.829 1.594 ( 3.554 -6.002 -0.306) 6.982 1.594 ( 3.554 6.002 -0.306) 6.982 1.741 ( -4.300 -3.311 0.033) 5.427 1.741 ( -4.300 3.311 0.033) 5.427 1.831 ( -0.706 -2.252 0.744) 2.475 1.831 ( -0.706 2.252 0.744) 2.475 1.939 ( -0.929 -1.619 0.455) 1.921 1.939 ( -0.929 1.619 0.455) 1.921 2.036 ( 2.924 -0.421 -2.156) 3.657 2.036 ( 2.924 0.421 -2.156) 3.657 2.251 ( 0.502 -1.301 3.868) 4.112 2.251 ( 0.502 1.301 3.868) 4.112 2.298 ( 0.387 -1.479 -2.245) 2.717 2.298 ( 0.387 1.479 -2.245) 2.717 2.356 ( -0.139 -0.332 -0.512) 0.625 2.356 ( -0.139 0.332 -0.512) 0.625 2.440 ( 1.888 -0.758 -0.862) 2.210 2.440 ( 1.888 0.758 -0.862) 2.210 2.498 ( -1.836 -1.410 -0.555) 2.380 2.498 ( -1.836 1.410 -0.555) 2.380 2.537 ( -1.296 -1.386 -0.424) 1.944 2.537 ( -1.296 1.386 -0.424) 1.944 2.572 ( 1.693 -3.048 1.409) 3.761 2.572 ( 1.693 3.048 1.409) 3.761 2.638 ( -1.865 -1.323 3.100) 3.852 2.638 ( -1.865 1.323 3.100) 3.852 2.690 ( -0.141 -0.868 0.582) 1.054 2.690 ( -0.141 0.868 0.582) 1.054 2.709 ( 0.548 -1.254 -1.698) 2.181 2.709 ( 0.548 1.254 -1.698) 2.181 2.762 ( -2.007 -1.673 -1.774) 3.158 2.762 ( -2.007 1.673 -1.774) 3.158 2.817 ( 1.347 -1.821 -1.413) 2.670 2.817 ( 1.347 1.821 -1.413) 2.670 2.862 ( -0.796 -2.262 -0.385) 2.428 2.862 ( -0.796 2.262 -0.385) 2.428 2.898 ( 0.378 -1.048 1.069) 1.544 2.898 ( 0.378 1.048 1.069) 1.544 2.927 ( 0.282 -0.693 0.405) 0.851 2.927 ( 0.282 0.693 0.405) 0.851 2.973 ( 0.030 -0.672 0.817) 1.058 2.973 ( 0.030 0.672 0.817) 1.058 3.064 ( -0.785 -0.664 -2.018) 2.265 3.064 ( -0.785 0.664 -2.018) 2.265 3.085 ( -2.700 -2.970 2.583) 4.773 3.085 ( -2.700 2.970 2.583) 4.773 3.127 ( -2.047 -2.161 -1.194) 3.207 3.127 ( -2.047 2.161 -1.194) 3.207 3.225 ( 1.884 -1.184 0.765) 2.353 3.225 ( 1.884 1.184 0.765) 2.353 3.306 ( 1.160 -1.172 0.099) 1.652 3.306 ( 1.160 1.172 0.099) 1.652 3.347 ( 3.213 -0.806 -0.540) 3.356 3.347 ( 3.213 0.806 -0.540) 3.356 3.439 ( -1.605 -1.004 -1.790) 2.605 3.439 ( -1.605 1.004 -1.790) 2.605 3.515 ( 2.099 -0.434 1.504) 2.619 3.515 ( 2.099 0.434 1.504) 2.619 3.752 ( -1.669 -0.657 -0.634) 1.902 3.752 ( -1.669 0.657 -0.634) 1.902 3.817 ( -0.362 -0.625 0.600) 0.939 3.817 ( -0.362 0.625 0.600) 0.939 3.973 ( 0.271 -1.190 0.140) 1.228 3.973 ( 0.271 1.190 0.140) 1.228 3.999 ( -0.035 -0.162 0.047) 0.173 3.999 ( -0.035 0.162 0.047) 0.173 4.073 ( 2.347 -0.991 0.342) 2.571 4.073 ( 2.347 0.991 0.342) 2.571 4.133 ( 0.775 -0.777 -0.237) 1.123 4.133 ( 0.775 0.777 -0.237) 1.123 4.197 ( -2.575 -1.136 0.533) 2.864 4.197 ( -2.575 1.136 0.533) 2.864 4.273 ( 0.143 -2.208 -1.285) 2.559 4.273 ( 0.143 2.208 -1.285) 2.559 4.302 ( -0.472 -0.146 -1.326) 1.415 4.302 ( -0.472 0.146 -1.326) 1.415 4.325 ( 0.480 -2.296 0.553) 2.409 4.325 ( 0.480 2.296 0.553) 2.409 4.368 ( -0.717 -1.864 1.724) 2.638 4.368 ( -0.717 1.864 1.724) 2.638 4.410 ( -0.093 -1.025 -0.807) 1.308 4.410 ( -0.093 1.025 -0.807) 1.308 4.460 ( -0.236 -0.486 0.703) 0.886 4.460 ( -0.236 0.486 0.703) 0.886 4.490 ( 0.494 -0.565 -0.019) 0.751 4.490 ( 0.494 0.565 -0.019) 0.751 4.601 ( -0.221 -0.222 -0.327) 0.453 4.601 ( -0.221 0.222 -0.327) 0.453 4.632 ( 0.756 -0.352 0.056) 0.836 4.632 ( 0.756 0.352 0.056) 0.836 5.368 ( -0.055 -0.028 0.062) 0.087 5.368 ( -0.055 0.028 0.062) 0.087 5.392 ( -0.047 -0.030 -0.007) 0.056 5.392 ( -0.047 0.030 -0.007) 0.056 6.263 ( 0.034 -0.008 0.003) 0.035 6.263 ( 0.034 0.008 0.003) 0.035 6.432 ( 0.092 -0.020 -0.021) 0.096 6.432 ( 0.092 0.020 -0.021) 0.096 8.713 ( 0.070 -0.195 -0.203) 0.290 8.713 ( 0.070 0.195 -0.203) 0.290 8.790 ( 0.227 -0.182 0.194) 0.350 8.790 ( 0.227 0.182 0.194) 0.350 13.074 ( -0.042 -0.819 1.094) 1.368 13.074 ( -0.042 0.819 1.094) 1.368 13.128 ( -0.972 -1.128 -1.008) 1.798 13.128 ( -0.972 1.128 -1.008) 1.798 13.232 ( 0.925 -2.368 1.687) 3.051 13.232 ( 0.925 2.368 1.687) 3.051 13.248 ( 0.327 -1.124 -1.627) 2.004 13.248 ( 0.327 1.124 -1.627) 2.004 13.305 ( 0.501 -2.093 -0.315) 2.175 13.305 ( 0.501 2.093 -0.315) 2.175 13.332 ( 0.956 -1.109 0.351) 1.505 13.332 ( 0.956 1.109 0.351) 1.505 13.389 ( -1.561 -2.455 -0.318) 2.926 13.389 ( -1.561 2.455 -0.318) 2.926 13.455 ( 1.975 -1.717 -0.239) 2.628 13.455 ( 1.975 1.717 -0.239) 2.628 13.566 ( -1.633 -0.723 0.470) 1.846 13.566 ( -1.633 0.723 0.470) 1.846 13.694 ( -0.787 -0.400 -0.077) 0.886 13.694 ( -0.787 0.400 -0.077) 0.886 ======================= Grid point 83 (42/42) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 -0.000 -0.000) 0.000 0.656 ( 0.000 0.000 -0.000) 0.000 0.743 ( 0.000 -0.000 -0.000) 0.000 0.743 ( 0.000 0.000 -0.000) 0.000 0.863 ( -0.000 -0.000 0.000) 0.000 0.863 ( -0.000 0.000 0.000) 0.000 0.863 ( 0.000 -0.000 -0.000) 0.000 0.863 ( 0.000 0.000 -0.000) 0.000 1.041 ( 0.000 -0.000 -0.000) 0.000 1.041 ( 0.000 0.000 -0.000) 0.000 1.116 ( -0.000 -0.000 -0.000) 0.000 1.116 ( 0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 -0.000) 0.000 1.260 ( 0.000 -0.000 -0.000) 0.000 1.260 ( 0.000 0.000 -0.000) 0.000 1.282 ( 0.000 -0.000 -0.000) 0.000 1.282 ( 0.000 0.000 -0.000) 0.000 1.461 ( -0.000 -0.000 -0.000) 0.000 1.461 ( -0.000 0.000 -0.000) 0.000 1.466 ( 0.000 -0.000 -0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 -0.000) 0.000 1.642 ( 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 1.817 ( 0.000 -0.000 -0.000) 0.000 1.817 ( 0.000 0.000 -0.000) 0.000 1.930 ( 0.000 -0.000 -0.000) 0.000 1.930 ( 0.000 0.000 -0.000) 0.000 2.067 ( 0.000 0.000 -0.000) 0.000 2.067 ( 0.000 0.000 -0.000) 0.000 2.266 ( -0.000 -0.000 -0.000) 0.000 2.266 ( 0.000 0.000 -0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 -0.000 0.000) 0.000 2.370 ( 0.000 -0.000 -0.000) 0.000 2.370 ( 0.000 0.000 -0.000) 0.000 2.460 ( 0.000 -0.000 -0.000) 0.000 2.460 ( 0.000 0.000 -0.000) 0.000 2.477 ( 0.000 -0.000 -0.000) 0.000 2.477 ( 0.000 0.000 -0.000) 0.000 2.515 ( 0.000 -0.000 -0.000) 0.000 2.515 ( 0.000 0.000 -0.000) 0.000 2.581 ( 0.000 -0.000 -0.000) 0.000 2.581 ( 0.000 0.000 -0.000) 0.000 2.639 ( 0.000 -0.000 0.000) 0.000 2.639 ( 0.000 0.000 -0.000) 0.000 2.686 ( 0.000 -0.000 -0.000) 0.000 2.686 ( 0.000 0.000 -0.000) 0.000 2.716 ( 0.000 -0.000 -0.000) 0.000 2.716 ( 0.000 0.000 -0.000) 0.000 2.730 ( 0.000 -0.000 -0.000) 0.000 2.730 ( 0.000 0.000 -0.000) 0.000 2.841 ( 0.000 -0.000 -0.000) 0.000 2.841 ( 0.000 0.000 -0.000) 0.000 2.844 ( -0.000 -0.000 0.000) 0.000 2.844 ( -0.000 0.000 0.000) 0.000 2.902 ( 0.000 -0.000 -0.000) 0.000 2.902 ( 0.000 0.000 -0.000) 0.000 2.938 ( 0.000 0.000 -0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 -0.000 -0.000) 0.000 2.963 ( 0.000 0.000 -0.000) 0.000 3.045 ( 0.000 -0.000 -0.000) 0.000 3.045 ( 0.000 0.000 -0.000) 0.000 3.071 ( 0.000 -0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 -0.000 -0.000) 0.000 3.108 ( 0.000 0.000 -0.000) 0.000 3.243 ( 0.000 -0.000 -0.000) 0.000 3.243 ( 0.000 0.000 -0.000) 0.000 3.316 ( 0.000 -0.000 -0.000) 0.000 3.316 ( 0.000 0.000 -0.000) 0.000 3.397 ( -0.000 0.000 -0.000) 0.000 3.397 ( 0.000 0.000 -0.000) 0.000 3.407 ( -0.000 0.000 -0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 -0.000) 0.000 3.540 ( 0.000 0.000 -0.000) 0.000 3.732 ( 0.000 0.000 -0.000) 0.000 3.732 ( 0.000 0.000 -0.000) 0.000 3.813 ( 0.000 0.000 -0.000) 0.000 3.813 ( 0.000 0.000 -0.000) 0.000 3.975 ( 0.000 0.000 -0.000) 0.000 3.975 ( 0.000 0.000 -0.000) 0.000 3.998 ( 0.000 -0.000 -0.000) 0.000 3.998 ( 0.000 0.000 -0.000) 0.000 4.119 ( 0.000 0.000 -0.000) 0.000 4.119 ( 0.000 0.000 -0.000) 0.000 4.137 ( -0.000 0.000 -0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 -0.000 -0.000) 0.000 4.158 ( 0.000 0.000 -0.000) 0.000 4.265 ( 0.000 0.000 -0.000) 0.000 4.265 ( 0.000 0.000 -0.000) 0.000 4.294 ( 0.000 -0.000 -0.000) 0.000 4.294 ( 0.000 0.000 -0.000) 0.000 4.344 ( 0.000 -0.000 -0.000) 0.000 4.344 ( 0.000 0.000 -0.000) 0.000 4.358 ( -0.000 -0.000 0.000) 0.000 4.358 ( 0.000 0.000 -0.000) 0.000 4.403 ( 0.000 -0.000 -0.000) 0.000 4.403 ( 0.000 0.000 -0.000) 0.000 4.460 ( 0.000 0.000 -0.000) 0.000 4.460 ( 0.000 0.000 -0.000) 0.000 4.495 ( 0.000 0.000 -0.000) 0.000 4.495 ( 0.000 0.000 -0.000) 0.000 4.598 ( 0.000 0.000 -0.000) 0.000 4.598 ( 0.000 0.000 -0.000) 0.000 4.640 ( 0.000 -0.000 -0.000) 0.000 4.640 ( 0.000 0.000 -0.000) 0.000 5.367 ( 0.000 0.000 -0.000) 0.000 5.367 ( 0.000 0.000 -0.000) 0.000 5.391 ( 0.000 -0.000 -0.000) 0.000 5.391 ( 0.000 0.000 -0.000) 0.000 6.263 ( 0.000 0.000 -0.000) 0.000 6.263 ( 0.000 0.000 -0.000) 0.000 6.433 ( 0.000 0.000 -0.000) 0.000 6.433 ( 0.000 0.000 -0.000) 0.000 8.713 ( 0.000 -0.000 -0.000) 0.000 8.713 ( 0.000 0.000 -0.000) 0.000 8.793 ( 0.000 0.000 -0.000) 0.000 8.793 ( 0.000 0.000 -0.000) 0.000 13.075 ( 0.000 0.000 -0.000) 0.000 13.075 ( 0.000 0.000 -0.000) 0.000 13.116 ( 0.000 -0.000 -0.000) 0.000 13.116 ( 0.000 0.000 -0.000) 0.000 13.243 ( 0.000 -0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 -0.000 -0.000) 0.000 13.252 ( 0.000 0.000 -0.000) 0.000 13.308 ( 0.000 -0.000 -0.000) 0.000 13.308 ( 0.000 0.000 -0.000) 0.000 13.352 ( 0.000 -0.000 -0.000) 0.000 13.352 ( 0.000 0.000 -0.000) 0.000 13.367 ( -0.000 -0.000 -0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.480 ( 0.000 -0.000 -0.000) 0.000 13.480 ( 0.000 0.000 -0.000) 0.000 13.542 ( -0.000 0.000 -0.000) 0.000 13.542 ( 0.000 0.000 -0.000) 0.000 13.685 ( 0.000 0.000 -0.000) 0.000 13.685 ( 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 4.794 6.362 7.954 0.000 0.221 0.000 3/13824 20.0 1.503 2.306 2.619 0.000 0.064 0.000 3/13824 30.0 0.822 1.291 1.441 0.000 0.023 0.000 3/13824 40.0 0.551 0.867 0.966 0.000 0.009 0.000 3/13824 50.0 0.413 0.648 0.723 0.000 0.004 0.000 3/13824 60.0 0.330 0.517 0.577 0.000 0.002 0.000 3/13824 70.0 0.276 0.431 0.482 0.000 0.001 0.000 3/13824 80.0 0.237 0.371 0.415 0.000 0.000 0.000 3/13824 90.0 0.208 0.326 0.365 0.000 -0.000 0.000 3/13824 100.0 0.186 0.292 0.327 0.000 -0.000 0.000 3/13824 110.0 0.169 0.265 0.297 0.000 -0.001 0.000 3/13824 120.0 0.154 0.243 0.273 0.000 -0.001 0.000 3/13824 130.0 0.142 0.225 0.253 0.000 -0.001 0.000 3/13824 140.0 0.132 0.210 0.236 0.000 -0.001 0.000 3/13824 150.0 0.124 0.197 0.222 0.000 -0.001 0.000 3/13824 160.0 0.116 0.186 0.210 0.000 -0.001 0.000 3/13824 170.0 0.110 0.176 0.199 0.000 -0.001 0.000 3/13824 180.0 0.104 0.168 0.189 0.000 -0.001 0.000 3/13824 190.0 0.099 0.160 0.181 0.000 -0.001 0.000 3/13824 200.0 0.094 0.153 0.173 0.000 -0.001 0.000 3/13824 210.0 0.090 0.146 0.166 0.000 -0.001 0.000 3/13824 220.0 0.086 0.141 0.159 0.000 -0.001 0.000 3/13824 230.0 0.083 0.135 0.153 0.000 -0.001 0.000 3/13824 240.0 0.079 0.130 0.148 0.000 -0.001 0.000 3/13824 250.0 0.076 0.126 0.143 0.000 -0.001 0.000 3/13824 260.0 0.074 0.122 0.138 0.000 -0.001 0.000 3/13824 270.0 0.071 0.118 0.134 0.000 -0.001 0.000 3/13824 280.0 0.069 0.114 0.129 0.000 -0.001 0.000 3/13824 290.0 0.066 0.110 0.126 0.000 -0.001 0.000 3/13824 300.0 0.064 0.107 0.122 0.000 -0.001 0.000 3/13824 310.0 0.062 0.104 0.118 0.000 -0.001 0.000 3/13824 320.0 0.060 0.101 0.115 0.000 -0.001 0.000 3/13824 330.0 0.059 0.098 0.112 0.000 -0.001 0.000 3/13824 340.0 0.057 0.096 0.109 0.000 -0.001 0.000 3/13824 350.0 0.056 0.093 0.106 0.000 -0.001 0.000 3/13824 360.0 0.054 0.091 0.104 0.000 -0.001 0.000 3/13824 370.0 0.053 0.089 0.101 0.000 -0.001 0.000 3/13824 380.0 0.051 0.087 0.099 0.000 -0.001 0.000 3/13824 390.0 0.050 0.085 0.097 0.000 -0.001 0.000 3/13824 400.0 0.049 0.083 0.094 0.000 -0.001 0.000 3/13824 410.0 0.048 0.081 0.092 0.000 -0.001 0.000 3/13824 420.0 0.047 0.079 0.090 0.000 -0.001 0.000 3/13824 430.0 0.046 0.077 0.088 0.000 -0.001 0.000 3/13824 440.0 0.045 0.076 0.086 0.000 -0.001 0.000 3/13824 450.0 0.044 0.074 0.085 0.000 -0.001 0.000 3/13824 460.0 0.043 0.073 0.083 0.000 -0.001 0.000 3/13824 470.0 0.042 0.071 0.081 0.000 -0.001 0.000 3/13824 480.0 0.041 0.070 0.080 0.000 -0.001 0.000 3/13824 490.0 0.040 0.068 0.078 0.000 -0.001 0.000 3/13824 500.0 0.039 0.067 0.077 0.000 -0.001 0.000 3/13824 510.0 0.039 0.066 0.075 0.000 -0.001 0.000 3/13824 520.0 0.038 0.065 0.074 0.000 -0.001 0.000 3/13824 530.0 0.037 0.064 0.073 0.000 -0.001 0.000 3/13824 540.0 0.037 0.062 0.072 0.000 -0.001 0.000 3/13824 550.0 0.036 0.061 0.070 0.000 -0.001 0.000 3/13824 560.0 0.035 0.060 0.069 0.000 -0.001 0.000 3/13824 570.0 0.035 0.059 0.068 0.000 -0.001 0.000 3/13824 580.0 0.034 0.058 0.067 0.000 -0.001 0.000 3/13824 590.0 0.034 0.057 0.066 0.000 -0.001 0.000 3/13824 600.0 0.033 0.057 0.065 0.000 -0.001 0.000 3/13824 610.0 0.032 0.056 0.064 0.000 -0.001 0.000 3/13824 620.0 0.032 0.055 0.063 0.000 -0.001 0.000 3/13824 630.0 0.031 0.054 0.062 0.000 -0.001 0.000 3/13824 640.0 0.031 0.053 0.061 0.000 -0.001 0.000 3/13824 650.0 0.031 0.052 0.060 0.000 -0.001 0.000 3/13824 660.0 0.030 0.052 0.059 0.000 -0.001 0.000 3/13824 670.0 0.030 0.051 0.058 0.000 -0.001 0.000 3/13824 680.0 0.029 0.050 0.057 0.000 -0.001 0.000 3/13824 690.0 0.029 0.049 0.057 0.000 -0.001 0.000 3/13824 700.0 0.028 0.049 0.056 0.000 -0.001 0.000 3/13824 710.0 0.028 0.048 0.055 0.000 -0.001 0.000 3/13824 720.0 0.028 0.047 0.054 0.000 -0.001 0.000 3/13824 730.0 0.027 0.047 0.054 0.000 -0.001 0.000 3/13824 740.0 0.027 0.046 0.053 0.000 -0.001 0.000 3/13824 750.0 0.027 0.046 0.052 0.000 -0.001 0.000 3/13824 760.0 0.026 0.045 0.052 0.000 -0.001 0.000 3/13824 770.0 0.026 0.045 0.051 0.000 -0.001 0.000 3/13824 780.0 0.026 0.044 0.050 0.000 -0.001 0.000 3/13824 790.0 0.025 0.043 0.050 0.000 -0.001 0.000 3/13824 800.0 0.025 0.043 0.049 0.000 -0.001 0.000 3/13824 810.0 0.025 0.042 0.049 0.000 -0.001 0.000 3/13824 820.0 0.024 0.042 0.048 0.000 -0.001 0.000 3/13824 830.0 0.024 0.041 0.047 0.000 -0.001 0.000 3/13824 840.0 0.024 0.041 0.047 0.000 -0.001 0.000 3/13824 850.0 0.023 0.040 0.046 0.000 -0.001 0.000 3/13824 860.0 0.023 0.040 0.046 0.000 -0.001 0.000 3/13824 870.0 0.023 0.040 0.045 0.000 -0.001 0.000 3/13824 880.0 0.023 0.039 0.045 0.000 -0.001 0.000 3/13824 890.0 0.022 0.039 0.044 0.000 -0.001 0.000 3/13824 900.0 0.022 0.038 0.044 0.000 -0.001 0.000 3/13824 910.0 0.022 0.038 0.043 0.000 -0.001 0.000 3/13824 920.0 0.022 0.037 0.043 0.000 -0.001 0.000 3/13824 930.0 0.021 0.037 0.043 0.000 -0.001 0.000 3/13824 940.0 0.021 0.037 0.042 0.000 -0.001 0.000 3/13824 950.0 0.021 0.036 0.042 0.000 -0.001 0.000 3/13824 960.0 0.021 0.036 0.041 0.000 -0.001 0.000 3/13824 970.0 0.021 0.036 0.041 0.000 -0.001 0.000 3/13824 980.0 0.020 0.035 0.040 0.000 -0.001 0.000 3/13824 990.0 0.020 0.035 0.040 0.000 -0.001 0.000 3/13824 1000.0 0.020 0.035 0.040 0.000 -0.001 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m446.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:17:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|