----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:29:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] 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 7.044917680000567 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): *1 O 0.83500116445501 0.82500644327192 0.62130767784021 15.999 2 O 0.16499883554499 0.32500644327192 0.87869232215979 15.999 3 O 0.16499883554499 0.17499355672808 0.37869232215979 15.999 4 O 0.83500116445501 0.67499355672808 0.12130767784021 15.999 *5 O 0.06426711960783 0.57433747994061 0.41595070646568 15.999 6 O 0.93573288039217 0.07433747994061 0.08404929353432 15.999 7 O 0.93573288039217 0.42566252005939 0.58404929353432 15.999 8 O 0.06426711960783 0.92566252005939 0.91595070646568 15.999 *9 O 0.63025593055444 0.57884313874572 0.62368590084489 15.999 10 O 0.36974406944556 0.07884313874572 0.87631409915511 15.999 11 O 0.36974406944556 0.42115686125428 0.37631409915510 15.999 12 O 0.63025593055444 0.92115686125428 0.12368590084490 15.999 *13 O 0.68623463582117 0.67339941209678 0.36465958642096 15.999 14 O 0.31376536417883 0.17339941209678 0.13534041357904 15.999 15 O 0.31376536417883 0.32660058790322 0.63534041357904 15.999 16 O 0.68623463582117 0.82660058790322 0.86465958642096 15.999 *17 O 0.99908403247800 0.66200417754859 0.89196595605858 15.999 18 O 0.00091596752200 0.16200417754860 0.60803404394142 15.999 19 O 0.00091596752200 0.33799582245141 0.10803404394142 15.999 20 O 0.99908403247800 0.83799582245141 0.39196595605858 15.999 *21 O 0.28390648447117 0.94447835779117 0.60863998610285 15.999 22 O 0.71609351552883 0.44447835779117 0.89136001389715 15.999 23 O 0.71609351552883 0.05552164220883 0.39136001389715 15.999 24 O 0.28390648447117 0.55552164220883 0.10863998610285 15.999 *25 O 0.25060344926995 0.74690043738476 0.15483192719423 15.999 26 O 0.74939655073005 0.24690043738476 0.34516807280577 15.999 27 O 0.74939655073005 0.25309956261524 0.84516807280577 15.999 28 O 0.25060344926995 0.75309956261524 0.65483192719423 15.999 *29 O 0.38129431361316 0.70322736579857 0.96375454025889 15.999 30 O 0.61870568638684 0.20322736579857 0.53624545974111 15.999 31 O 0.61870568638684 0.29677263420143 0.03624545974111 15.999 32 O 0.38129431361316 0.79677263420143 0.46375454025889 15.999 *33 O 0.29068245891386 0.97158094807994 0.27948979119182 15.999 34 O 0.70931754108614 0.47158094807994 0.22051020880818 15.999 35 O 0.70931754108614 0.02841905192006 0.72051020880818 15.999 36 O 0.29068245891386 0.52841905192006 0.77948979119182 15.999 *37 P 0.22586240025608 0.66513271843171 0.02535540125357 30.974 38 P 0.77413759974392 0.16513271843171 0.47464459874643 30.974 39 P 0.77413759974392 0.33486728156829 0.97464459874643 30.974 40 P 0.22586240025608 0.83486728156829 0.52535540125357 30.974 *41 Ge 0.19428586596017 0.39660067268035 0.73623569082571 72.640 42 Ge 0.80571413403982 0.89660067268036 0.76376430917429 72.640 43 Ge 0.80571413403982 0.60339932731964 0.26376430917429 72.640 44 Ge 0.19428586596017 0.10339932731965 0.23623569082571 72.640 *45 Pr 0.36192578866117 0.61030058837380 0.37438771690375 140.908 46 Pr 0.63807421133883 0.11030058837380 0.12561228309625 140.908 47 Pr 0.63807421133883 0.38969941162620 0.62561228309625 140.908 48 Pr 0.36192578866117 0.88969941162620 0.87438771690375 140.908 *49 Pr 0.61258761989675 0.86978337019965 0.35437978922980 140.908 50 Pr 0.38741238010325 0.36978337019965 0.14562021077020 140.908 51 Pr 0.38741238010325 0.13021662980035 0.64562021077020 140.908 52 Pr 0.61258761989675 0.63021662980035 0.85437978922980 140.908 *53 Pr 0.96307788345328 0.63330260357279 0.62940301857938 140.908 54 Pr 0.03692211654672 0.13330260357279 0.87059698142062 140.908 55 Pr 0.03692211654672 0.36669739642721 0.37059698142062 140.908 56 Pr 0.96307788345328 0.86669739642721 0.12940301857938 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.044917680000567 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): *1 O 0.83500116445501 0.82500644327192 0.62130767784021 15.999 > 1 2 O 0.16499883554499 0.32500644327192 0.87869232215979 15.999 > 2 3 O 0.16499883554499 0.17499355672808 0.37869232215979 15.999 > 3 4 O 0.83500116445501 0.67499355672808 0.12130767784021 15.999 > 4 *5 O 0.06426711960783 0.57433747994061 0.41595070646568 15.999 > 5 6 O 0.93573288039217 0.07433747994061 0.08404929353432 15.999 > 6 7 O 0.93573288039217 0.42566252005939 0.58404929353432 15.999 > 7 8 O 0.06426711960783 0.92566252005939 0.91595070646568 15.999 > 8 *9 O 0.63025593055444 0.57884313874572 0.62368590084489 15.999 > 9 10 O 0.36974406944556 0.07884313874572 0.87631409915511 15.999 > 10 11 O 0.36974406944556 0.42115686125428 0.37631409915510 15.999 > 11 12 O 0.63025593055444 0.92115686125428 0.12368590084490 15.999 > 12 *13 O 0.68623463582117 0.67339941209678 0.36465958642096 15.999 > 13 14 O 0.31376536417883 0.17339941209678 0.13534041357904 15.999 > 14 15 O 0.31376536417883 0.32660058790322 0.63534041357904 15.999 > 15 16 O 0.68623463582117 0.82660058790322 0.86465958642096 15.999 > 16 *17 O 0.99908403247800 0.66200417754859 0.89196595605858 15.999 > 17 18 O 0.00091596752200 0.16200417754860 0.60803404394142 15.999 > 18 19 O 0.00091596752200 0.33799582245141 0.10803404394142 15.999 > 19 20 O 0.99908403247800 0.83799582245141 0.39196595605858 15.999 > 20 *21 O 0.28390648447117 0.94447835779117 0.60863998610285 15.999 > 21 22 O 0.71609351552883 0.44447835779117 0.89136001389715 15.999 > 22 23 O 0.71609351552883 0.05552164220883 0.39136001389715 15.999 > 23 24 O 0.28390648447117 0.55552164220883 0.10863998610285 15.999 > 24 *25 O 0.25060344926995 0.74690043738476 0.15483192719423 15.999 > 25 26 O 0.74939655073005 0.24690043738476 0.34516807280577 15.999 > 26 27 O 0.74939655073005 0.25309956261524 0.84516807280577 15.999 > 27 28 O 0.25060344926995 0.75309956261524 0.65483192719423 15.999 > 28 *29 O 0.38129431361316 0.70322736579857 0.96375454025889 15.999 > 29 30 O 0.61870568638684 0.20322736579857 0.53624545974111 15.999 > 30 31 O 0.61870568638684 0.29677263420143 0.03624545974111 15.999 > 31 32 O 0.38129431361316 0.79677263420143 0.46375454025889 15.999 > 32 *33 O 0.29068245891386 0.97158094807994 0.27948979119182 15.999 > 33 34 O 0.70931754108614 0.47158094807994 0.22051020880818 15.999 > 34 35 O 0.70931754108614 0.02841905192006 0.72051020880818 15.999 > 35 36 O 0.29068245891386 0.52841905192006 0.77948979119182 15.999 > 36 *37 P 0.22586240025608 0.66513271843171 0.02535540125357 30.974 > 37 38 P 0.77413759974392 0.16513271843171 0.47464459874643 30.974 > 38 39 P 0.77413759974392 0.33486728156829 0.97464459874643 30.974 > 39 40 P 0.22586240025608 0.83486728156829 0.52535540125357 30.974 > 40 *41 Ge 0.19428586596017 0.39660067268035 0.73623569082571 72.640 > 41 42 Ge 0.80571413403982 0.89660067268036 0.76376430917429 72.640 > 42 43 Ge 0.80571413403982 0.60339932731964 0.26376430917429 72.640 > 43 44 Ge 0.19428586596017 0.10339932731965 0.23623569082571 72.640 > 44 *45 Pr 0.36192578866117 0.61030058837380 0.37438771690375 140.908 > 45 46 Pr 0.63807421133883 0.11030058837380 0.12561228309625 140.908 > 46 47 Pr 0.63807421133883 0.38969941162620 0.62561228309625 140.908 > 47 48 Pr 0.36192578866117 0.88969941162620 0.87438771690375 140.908 > 48 *49 Pr 0.61258761989675 0.86978337019965 0.35437978922980 140.908 > 49 50 Pr 0.38741238010325 0.36978337019965 0.14562021077020 140.908 > 50 51 Pr 0.38741238010325 0.13021662980035 0.64562021077020 140.908 > 51 52 Pr 0.61258761989675 0.63021662980035 0.85437978922980 140.908 > 52 *53 Pr 0.96307788345328 0.63330260357279 0.62940301857938 140.908 > 53 54 Pr 0.03692211654672 0.13330260357279 0.87059698142062 140.908 > 54 55 Pr 0.03692211654672 0.36669739642721 0.37059698142062 140.908 > 55 56 Pr 0.96307788345328 0.86669739642721 0.12940301857938 140.908 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.089835360001134 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): *1 O 0.41750058222751 0.82500644327192 0.62130767784021 15.999 > 1 2 O 0.91750058222751 0.82500644327192 0.62130767784021 15.999 > 1 3 O 0.08249941777249 0.32500644327192 0.87869232215979 15.999 > 2 4 O 0.58249941777249 0.32500644327192 0.87869232215979 15.999 > 2 5 O 0.08249941777249 0.17499355672808 0.37869232215979 15.999 > 3 6 O 0.58249941777249 0.17499355672808 0.37869232215979 15.999 > 3 7 O 0.41750058222751 0.67499355672808 0.12130767784021 15.999 > 4 8 O 0.91750058222751 0.67499355672808 0.12130767784021 15.999 > 4 *9 O 0.03213355980392 0.57433747994061 0.41595070646568 15.999 > 5 10 O 0.53213355980392 0.57433747994061 0.41595070646568 15.999 > 5 11 O 0.46786644019608 0.07433747994061 0.08404929353432 15.999 > 6 12 O 0.96786644019608 0.07433747994061 0.08404929353432 15.999 > 6 13 O 0.46786644019608 0.42566252005939 0.58404929353432 15.999 > 7 14 O 0.96786644019608 0.42566252005939 0.58404929353432 15.999 > 7 15 O 0.03213355980392 0.92566252005939 0.91595070646568 15.999 > 8 16 O 0.53213355980392 0.92566252005939 0.91595070646568 15.999 > 8 *17 O 0.31512796527722 0.57884313874572 0.62368590084489 15.999 > 9 18 O 0.81512796527722 0.57884313874572 0.62368590084489 15.999 > 9 19 O 0.18487203472278 0.07884313874572 0.87631409915511 15.999 > 10 20 O 0.68487203472278 0.07884313874572 0.87631409915511 15.999 > 10 21 O 0.18487203472278 0.42115686125428 0.37631409915510 15.999 > 11 22 O 0.68487203472278 0.42115686125428 0.37631409915510 15.999 > 11 23 O 0.31512796527722 0.92115686125428 0.12368590084490 15.999 > 12 24 O 0.81512796527722 0.92115686125428 0.12368590084490 15.999 > 12 *25 O 0.34311731791058 0.67339941209678 0.36465958642096 15.999 > 13 26 O 0.84311731791058 0.67339941209678 0.36465958642096 15.999 > 13 27 O 0.15688268208942 0.17339941209678 0.13534041357904 15.999 > 14 28 O 0.65688268208942 0.17339941209678 0.13534041357904 15.999 > 14 29 O 0.15688268208942 0.32660058790322 0.63534041357904 15.999 > 15 30 O 0.65688268208942 0.32660058790322 0.63534041357904 15.999 > 15 31 O 0.34311731791058 0.82660058790322 0.86465958642096 15.999 > 16 32 O 0.84311731791058 0.82660058790322 0.86465958642096 15.999 > 16 *33 O 0.49954201623900 0.66200417754859 0.89196595605858 15.999 > 17 34 O 0.99954201623900 0.66200417754859 0.89196595605858 15.999 > 17 35 O 0.00045798376100 0.16200417754860 0.60803404394142 15.999 > 18 36 O 0.50045798376100 0.16200417754860 0.60803404394142 15.999 > 18 37 O 0.00045798376100 0.33799582245141 0.10803404394142 15.999 > 19 38 O 0.50045798376100 0.33799582245141 0.10803404394142 15.999 > 19 39 O 0.49954201623900 0.83799582245141 0.39196595605858 15.999 > 20 40 O 0.99954201623900 0.83799582245141 0.39196595605858 15.999 > 20 *41 O 0.14195324223559 0.94447835779117 0.60863998610285 15.999 > 21 42 O 0.64195324223559 0.94447835779117 0.60863998610285 15.999 > 21 43 O 0.35804675776442 0.44447835779117 0.89136001389715 15.999 > 22 44 O 0.85804675776442 0.44447835779117 0.89136001389715 15.999 > 22 45 O 0.35804675776442 0.05552164220883 0.39136001389715 15.999 > 23 46 O 0.85804675776442 0.05552164220883 0.39136001389715 15.999 > 23 47 O 0.14195324223559 0.55552164220883 0.10863998610285 15.999 > 24 48 O 0.64195324223559 0.55552164220883 0.10863998610285 15.999 > 24 *49 O 0.12530172463497 0.74690043738476 0.15483192719423 15.999 > 25 50 O 0.62530172463497 0.74690043738476 0.15483192719423 15.999 > 25 51 O 0.37469827536503 0.24690043738476 0.34516807280577 15.999 > 26 52 O 0.87469827536503 0.24690043738476 0.34516807280577 15.999 > 26 53 O 0.37469827536503 0.25309956261524 0.84516807280577 15.999 > 27 54 O 0.87469827536503 0.25309956261524 0.84516807280577 15.999 > 27 55 O 0.12530172463497 0.75309956261524 0.65483192719423 15.999 > 28 56 O 0.62530172463497 0.75309956261524 0.65483192719423 15.999 > 28 *57 O 0.19064715680658 0.70322736579857 0.96375454025889 15.999 > 29 58 O 0.69064715680658 0.70322736579857 0.96375454025889 15.999 > 29 59 O 0.30935284319342 0.20322736579857 0.53624545974111 15.999 > 30 60 O 0.80935284319342 0.20322736579857 0.53624545974111 15.999 > 30 61 O 0.30935284319342 0.29677263420143 0.03624545974111 15.999 > 31 62 O 0.80935284319342 0.29677263420143 0.03624545974111 15.999 > 31 63 O 0.19064715680658 0.79677263420143 0.46375454025889 15.999 > 32 64 O 0.69064715680658 0.79677263420143 0.46375454025889 15.999 > 32 *65 O 0.14534122945693 0.97158094807994 0.27948979119182 15.999 > 33 66 O 0.64534122945693 0.97158094807994 0.27948979119182 15.999 > 33 67 O 0.35465877054307 0.47158094807994 0.22051020880818 15.999 > 34 68 O 0.85465877054307 0.47158094807994 0.22051020880818 15.999 > 34 69 O 0.35465877054307 0.02841905192006 0.72051020880818 15.999 > 35 70 O 0.85465877054307 0.02841905192006 0.72051020880818 15.999 > 35 71 O 0.14534122945693 0.52841905192006 0.77948979119182 15.999 > 36 72 O 0.64534122945693 0.52841905192006 0.77948979119182 15.999 > 36 *73 P 0.11293120012804 0.66513271843171 0.02535540125357 30.974 > 37 74 P 0.61293120012804 0.66513271843171 0.02535540125357 30.974 > 37 75 P 0.38706879987196 0.16513271843171 0.47464459874643 30.974 > 38 76 P 0.88706879987196 0.16513271843171 0.47464459874643 30.974 > 38 77 P 0.38706879987196 0.33486728156829 0.97464459874643 30.974 > 39 78 P 0.88706879987196 0.33486728156829 0.97464459874643 30.974 > 39 79 P 0.11293120012804 0.83486728156829 0.52535540125357 30.974 > 40 80 P 0.61293120012804 0.83486728156829 0.52535540125357 30.974 > 40 *81 Ge 0.09714293298009 0.39660067268035 0.73623569082571 72.640 > 41 82 Ge 0.59714293298009 0.39660067268035 0.73623569082571 72.640 > 41 83 Ge 0.40285706701991 0.89660067268036 0.76376430917429 72.640 > 42 84 Ge 0.90285706701991 0.89660067268036 0.76376430917429 72.640 > 42 85 Ge 0.40285706701991 0.60339932731964 0.26376430917429 72.640 > 43 86 Ge 0.90285706701991 0.60339932731964 0.26376430917429 72.640 > 43 87 Ge 0.09714293298009 0.10339932731965 0.23623569082571 72.640 > 44 88 Ge 0.59714293298009 0.10339932731965 0.23623569082571 72.640 > 44 *89 Pr 0.18096289433058 0.61030058837380 0.37438771690375 140.908 > 45 90 Pr 0.68096289433058 0.61030058837380 0.37438771690375 140.908 > 45 91 Pr 0.31903710566942 0.11030058837380 0.12561228309625 140.908 > 46 92 Pr 0.81903710566942 0.11030058837380 0.12561228309625 140.908 > 46 93 Pr 0.31903710566942 0.38969941162620 0.62561228309625 140.908 > 47 94 Pr 0.81903710566942 0.38969941162620 0.62561228309625 140.908 > 47 95 Pr 0.18096289433058 0.88969941162620 0.87438771690375 140.908 > 48 96 Pr 0.68096289433058 0.88969941162620 0.87438771690375 140.908 > 48 *97 Pr 0.30629380994838 0.86978337019965 0.35437978922980 140.908 > 49 98 Pr 0.80629380994838 0.86978337019965 0.35437978922980 140.908 > 49 99 Pr 0.19370619005162 0.36978337019965 0.14562021077020 140.908 > 50 100 Pr 0.69370619005162 0.36978337019965 0.14562021077020 140.908 > 50 101 Pr 0.19370619005162 0.13021662980035 0.64562021077020 140.908 > 51 102 Pr 0.69370619005162 0.13021662980035 0.64562021077020 140.908 > 51 103 Pr 0.30629380994838 0.63021662980035 0.85437978922980 140.908 > 52 104 Pr 0.80629380994838 0.63021662980035 0.85437978922980 140.908 > 52 *105 Pr 0.48153894172664 0.63330260357279 0.62940301857938 140.908 > 53 106 Pr 0.98153894172664 0.63330260357279 0.62940301857938 140.908 > 53 107 Pr 0.01846105827336 0.13330260357279 0.87059698142062 140.908 > 54 108 Pr 0.51846105827336 0.13330260357279 0.87059698142062 140.908 > 54 109 Pr 0.01846105827336 0.36669739642721 0.37059698142062 140.908 > 55 110 Pr 0.51846105827336 0.36669739642721 0.37059698142062 140.908 > 55 111 Pr 0.48153894172664 0.86669739642721 0.12940301857938 140.908 > 56 112 Pr 0.98153894172664 0.86669739642721 0.12940301857938 140.908 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8128060 0.0000000 -0.0347935 0.0000000 3.8515559 0.0000000 -0.0348048 0.0000000 3.8719220 -------------------------- Born effective charges -------------------------- 1 O -1.4892346 0.4460053 0.1646240 0.4743481 -2.1209848 -0.2480944 0.2187086 -0.2716909 -2.5661603 2 O -1.4892346 -0.4460053 0.1646240 -0.4743481 -2.1209848 0.2480944 0.2187086 0.2716909 -2.5661603 3 O -1.4892346 0.4460053 0.1646240 0.4743481 -2.1209848 -0.2480944 0.2187086 -0.2716909 -2.5661603 4 O -1.4892346 -0.4460053 0.1646240 -0.4743481 -2.1209848 0.2480944 0.2187086 0.2716909 -2.5661603 5 O -2.7605898 0.0824734 -0.0781961 0.0590411 -1.8657244 -0.0371527 -0.0427890 0.0066329 -1.8842384 6 O -2.7605898 -0.0824734 -0.0781961 -0.0590411 -1.8657244 0.0371527 -0.0427890 -0.0066329 -1.8842384 7 O -2.7605898 0.0824734 -0.0781961 0.0590411 -1.8657244 -0.0371527 -0.0427890 0.0066329 -1.8842384 8 O -2.7605898 -0.0824734 -0.0781961 -0.0590411 -1.8657244 0.0371527 -0.0427890 -0.0066329 -1.8842384 9 O -2.3857141 -0.0247313 0.0581223 -0.1058787 -2.3151687 -0.0307789 0.0552695 -0.1105612 -2.7631757 10 O -2.3857141 0.0247313 0.0581223 0.1058787 -2.3151687 0.0307789 0.0552695 0.1105612 -2.7631757 11 O -2.3857141 -0.0247313 0.0581223 -0.1058787 -2.3151687 -0.0307789 0.0552695 -0.1105612 -2.7631757 12 O -2.3857141 0.0247313 0.0581223 0.1058787 -2.3151687 0.0307789 0.0552695 0.1105612 -2.7631757 13 O -2.5297557 0.3509212 0.2341721 0.3390456 -2.1995851 -0.0768244 0.1859659 -0.0288833 -2.0108735 14 O -2.5297557 -0.3509212 0.2341721 -0.3390456 -2.1995851 0.0768244 0.1859659 0.0288833 -2.0108735 15 O -2.5297557 0.3509212 0.2341721 0.3390456 -2.1995851 -0.0768244 0.1859659 -0.0288833 -2.0108735 16 O -2.5297557 -0.3509212 0.2341721 -0.3390456 -2.1995851 0.0768244 0.1859659 0.0288833 -2.0108735 17 O -2.1200366 -0.0403154 -0.4421930 -0.0976394 -1.1984091 -0.1500161 -0.4870967 -0.1518628 -2.5841217 18 O -2.1200366 0.0403154 -0.4421930 0.0976394 -1.1984091 0.1500161 -0.4870967 0.1518628 -2.5841217 19 O -2.1200366 -0.0403154 -0.4421930 -0.0976394 -1.1984091 -0.1500161 -0.4870967 -0.1518628 -2.5841217 20 O -2.1200366 0.0403154 -0.4421930 0.0976394 -1.1984091 0.1500161 -0.4870967 0.1518628 -2.5841217 21 O -1.1318778 -0.3005333 0.0698234 -0.1833987 -2.7295160 -0.5602236 0.1070749 -0.6255803 -2.0782240 22 O -1.1318778 0.3005333 0.0698234 0.1833987 -2.7295160 0.5602236 0.1070749 0.6255803 -2.0782240 23 O -1.1318778 -0.3005333 0.0698234 -0.1833987 -2.7295160 -0.5602236 0.1070749 -0.6255803 -2.0782240 24 O -1.1318778 0.3005333 0.0698234 0.1833987 -2.7295160 0.5602236 0.1070749 0.6255803 -2.0782240 25 O -1.7403514 0.5394345 0.1746177 0.3848926 -2.2057560 -0.2894986 0.1282525 -0.2198491 -2.2497546 26 O -1.7403514 -0.5394345 0.1746177 -0.3848926 -2.2057560 0.2894986 0.1282525 0.2198491 -2.2497546 27 O -1.7403514 0.5394345 0.1746177 0.3848926 -2.2057560 -0.2894986 0.1282525 -0.2198491 -2.2497546 28 O -1.7403514 -0.5394345 0.1746177 -0.3848926 -2.2057560 0.2894986 0.1282525 0.2198491 -2.2497546 29 O -2.5357729 -0.2888718 0.5531154 -0.2993658 -1.9462573 0.2596199 0.6538981 0.2331383 -1.6189341 30 O -2.5357729 0.2888718 0.5531154 0.2993658 -1.9462573 -0.2596199 0.6538981 -0.2331383 -1.6189341 31 O -2.5357729 -0.2888718 0.5531154 -0.2993658 -1.9462573 0.2596199 0.6538981 0.2331383 -1.6189341 32 O -2.5357729 0.2888718 0.5531154 0.2993658 -1.9462573 -0.2596199 0.6538981 -0.2331383 -1.6189341 33 O -2.1515468 0.3422674 -0.4618316 0.2807973 -2.4641371 0.0482931 -0.4809139 0.1659516 -1.5151377 34 O -2.1515468 -0.3422674 -0.4618316 -0.2807973 -2.4641371 -0.0482931 -0.4809139 -0.1659516 -1.5151377 35 O -2.1515468 0.3422674 -0.4618316 0.2807973 -2.4641371 0.0482931 -0.4809139 0.1659516 -1.5151377 36 O -2.1515468 -0.3422674 -0.4618316 -0.2807973 -2.4641371 -0.0482931 -0.4809139 -0.1659516 -1.5151377 37 P 3.5057739 -0.0265387 -0.0983641 0.2746723 3.4569546 -0.1241302 -0.0648075 -0.3986438 4.2393930 38 P 3.5057739 0.0265387 -0.0983641 -0.2746723 3.4569546 0.1241302 -0.0648075 0.3986438 4.2393930 39 P 3.5057739 -0.0265387 -0.0983641 0.2746723 3.4569546 -0.1241302 -0.0648075 -0.3986438 4.2393930 40 P 3.5057739 0.0265387 -0.0983641 -0.2746723 3.4569546 0.1241302 -0.0648075 0.3986438 4.2393930 41 Ge 3.0941507 -0.0696914 -0.0410097 -0.0249317 3.2729114 -0.1582353 -0.2997686 -0.1636512 3.2095739 42 Ge 3.0941507 0.0696914 -0.0410097 0.0249317 3.2729114 0.1582353 -0.2997686 0.1636512 3.2095739 43 Ge 3.0941507 -0.0696914 -0.0410097 -0.0249317 3.2729114 -0.1582353 -0.2997686 -0.1636512 3.2095739 44 Ge 3.0941507 0.0696914 -0.0410097 0.0249317 3.2729114 0.1582353 -0.2997686 0.1636512 3.2095739 45 Pr 4.0404292 0.1388252 0.0204532 0.1212677 3.9063117 -0.2648669 0.1026657 -0.2402578 3.8113208 46 Pr 4.0404292 -0.1388252 0.0204532 -0.1212677 3.9063117 0.2648669 0.1026657 0.2402578 3.8113208 47 Pr 4.0404292 0.1388252 0.0204532 0.1212677 3.9063117 -0.2648669 0.1026657 -0.2402578 3.8113208 48 Pr 4.0404292 -0.1388252 0.0204532 -0.1212677 3.9063117 0.2648669 0.1026657 0.2402578 3.8113208 49 Pr 4.1573905 -0.1092978 -0.2250042 -0.0647872 4.3795298 -0.4853574 -0.0233481 -0.6203422 4.1792648 50 Pr 4.1573905 0.1092978 -0.2250042 0.0647872 4.3795298 0.4853574 -0.0233481 0.6203422 4.1792648 51 Pr 4.1573905 -0.1092978 -0.2250042 -0.0647872 4.3795298 -0.4853574 -0.0233481 -0.6203422 4.1792648 52 Pr 4.1573905 0.1092978 -0.2250042 0.0647872 4.3795298 0.4853574 -0.0233481 0.6203422 4.1792648 53 Pr 4.0471353 -0.1041316 0.0716708 0.0540571 4.0298312 -0.0038682 -0.0531112 0.0662914 3.8310673 54 Pr 4.0471353 0.1041316 0.0716708 -0.0540571 4.0298312 0.0038682 -0.0531112 -0.0662914 3.8310673 55 Pr 4.0471353 -0.1041316 0.0716708 0.0540571 4.0298312 -0.0038682 -0.0531112 0.0662914 3.8310673 56 Pr 4.0471353 0.1041316 0.0716708 -0.0540571 4.0298312 0.0038682 -0.0531112 -0.0662914 3.8310673 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.893 Solver_block: 200 / 1680 - Time: 1.632 Solver_block: 300 / 1680 - Time: 1.645 Solver_block: 400 / 1680 - Time: 1.642 Solver_block: 500 / 1680 - Time: 1.642 Solver_block: 600 / 1680 - Time: 1.639 Solver_block: 700 / 1680 - Time: 1.643 Solver_block: 800 / 1680 - Time: 1.642 Solver_block: 900 / 1680 - Time: 1.645 Solver_block: 1000 / 1680 - Time: 1.642 Solver_block: 1100 / 1680 - Time: 1.642 Solver_block: 1200 / 1680 - Time: 1.641 Solver_block: 1300 / 1680 - Time: 1.644 Solver_block: 1400 / 1680 - Time: 1.642 Solver_block: 1500 / 1680 - Time: 1.642 Solver_block: 1600 / 1680 - Time: 1.642 Solver_block: 1680 / 1680 - Time: 1.355 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.702 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:31:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:31:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.044917680000567 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): 1 O 0.83500116445501 0.82500644327192 0.62130767784021 15.999 2 O 0.16499883554499 0.32500644327192 0.87869232215979 15.999 3 O 0.16499883554499 0.17499355672808 0.37869232215979 15.999 4 O 0.83500116445501 0.67499355672808 0.12130767784021 15.999 5 O 0.06426711960783 0.57433747994061 0.41595070646568 15.999 6 O 0.93573288039217 0.07433747994061 0.08404929353432 15.999 7 O 0.93573288039217 0.42566252005939 0.58404929353432 15.999 8 O 0.06426711960783 0.92566252005939 0.91595070646568 15.999 9 O 0.63025593055444 0.57884313874572 0.62368590084489 15.999 10 O 0.36974406944556 0.07884313874572 0.87631409915511 15.999 11 O 0.36974406944556 0.42115686125428 0.37631409915510 15.999 12 O 0.63025593055444 0.92115686125428 0.12368590084490 15.999 13 O 0.68623463582117 0.67339941209678 0.36465958642096 15.999 14 O 0.31376536417883 0.17339941209678 0.13534041357904 15.999 15 O 0.31376536417883 0.32660058790322 0.63534041357904 15.999 16 O 0.68623463582117 0.82660058790322 0.86465958642096 15.999 17 O 0.99908403247800 0.66200417754859 0.89196595605858 15.999 18 O 0.00091596752200 0.16200417754860 0.60803404394142 15.999 19 O 0.00091596752200 0.33799582245141 0.10803404394142 15.999 20 O 0.99908403247800 0.83799582245141 0.39196595605858 15.999 21 O 0.28390648447117 0.94447835779117 0.60863998610285 15.999 22 O 0.71609351552883 0.44447835779117 0.89136001389715 15.999 23 O 0.71609351552883 0.05552164220883 0.39136001389715 15.999 24 O 0.28390648447117 0.55552164220883 0.10863998610285 15.999 25 O 0.25060344926995 0.74690043738476 0.15483192719423 15.999 26 O 0.74939655073005 0.24690043738476 0.34516807280577 15.999 27 O 0.74939655073005 0.25309956261524 0.84516807280577 15.999 28 O 0.25060344926995 0.75309956261524 0.65483192719423 15.999 29 O 0.38129431361316 0.70322736579857 0.96375454025889 15.999 30 O 0.61870568638684 0.20322736579857 0.53624545974111 15.999 31 O 0.61870568638684 0.29677263420143 0.03624545974111 15.999 32 O 0.38129431361316 0.79677263420143 0.46375454025889 15.999 33 O 0.29068245891386 0.97158094807994 0.27948979119182 15.999 34 O 0.70931754108614 0.47158094807994 0.22051020880818 15.999 35 O 0.70931754108614 0.02841905192006 0.72051020880818 15.999 36 O 0.29068245891386 0.52841905192006 0.77948979119182 15.999 37 P 0.22586240025608 0.66513271843171 0.02535540125357 30.974 38 P 0.77413759974392 0.16513271843171 0.47464459874643 30.974 39 P 0.77413759974392 0.33486728156829 0.97464459874643 30.974 40 P 0.22586240025608 0.83486728156829 0.52535540125357 30.974 41 Ge 0.19428586596017 0.39660067268035 0.73623569082571 72.640 42 Ge 0.80571413403982 0.89660067268036 0.76376430917429 72.640 43 Ge 0.80571413403982 0.60339932731964 0.26376430917429 72.640 44 Ge 0.19428586596017 0.10339932731965 0.23623569082571 72.640 45 Pr 0.36192578866117 0.61030058837380 0.37438771690375 140.908 46 Pr 0.63807421133883 0.11030058837380 0.12561228309625 140.908 47 Pr 0.63807421133883 0.38969941162620 0.62561228309625 140.908 48 Pr 0.36192578866117 0.88969941162620 0.87438771690375 140.908 49 Pr 0.61258761989675 0.86978337019965 0.35437978922980 140.908 50 Pr 0.38741238010325 0.36978337019965 0.14562021077020 140.908 51 Pr 0.38741238010325 0.13021662980035 0.64562021077020 140.908 52 Pr 0.61258761989675 0.63021662980035 0.85437978922980 140.908 53 Pr 0.96307788345328 0.63330260357279 0.62940301857938 140.908 54 Pr 0.03692211654672 0.13330260357279 0.87059698142062 140.908 55 Pr 0.03692211654672 0.36669739642721 0.37059698142062 140.908 56 Pr 0.96307788345328 0.86669739642721 0.12940301857938 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.089835360001134 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): 1 O 0.41750058222751 0.82500644327192 0.62130767784021 15.999 > 1 2 O 0.91750058222751 0.82500644327192 0.62130767784021 15.999 > 1 3 O 0.08249941777249 0.32500644327192 0.87869232215979 15.999 > 3 4 O 0.58249941777249 0.32500644327192 0.87869232215979 15.999 > 3 5 O 0.08249941777249 0.17499355672808 0.37869232215979 15.999 > 5 6 O 0.58249941777249 0.17499355672808 0.37869232215979 15.999 > 5 7 O 0.41750058222751 0.67499355672808 0.12130767784021 15.999 > 7 8 O 0.91750058222751 0.67499355672808 0.12130767784021 15.999 > 7 9 O 0.03213355980392 0.57433747994061 0.41595070646568 15.999 > 9 10 O 0.53213355980392 0.57433747994061 0.41595070646568 15.999 > 9 11 O 0.46786644019608 0.07433747994061 0.08404929353432 15.999 > 11 12 O 0.96786644019608 0.07433747994061 0.08404929353432 15.999 > 11 13 O 0.46786644019608 0.42566252005939 0.58404929353432 15.999 > 13 14 O 0.96786644019608 0.42566252005939 0.58404929353432 15.999 > 13 15 O 0.03213355980392 0.92566252005939 0.91595070646568 15.999 > 15 16 O 0.53213355980392 0.92566252005939 0.91595070646568 15.999 > 15 17 O 0.31512796527722 0.57884313874572 0.62368590084489 15.999 > 17 18 O 0.81512796527722 0.57884313874572 0.62368590084489 15.999 > 17 19 O 0.18487203472278 0.07884313874572 0.87631409915511 15.999 > 19 20 O 0.68487203472278 0.07884313874572 0.87631409915511 15.999 > 19 21 O 0.18487203472278 0.42115686125428 0.37631409915510 15.999 > 21 22 O 0.68487203472278 0.42115686125428 0.37631409915510 15.999 > 21 23 O 0.31512796527722 0.92115686125428 0.12368590084490 15.999 > 23 24 O 0.81512796527722 0.92115686125428 0.12368590084490 15.999 > 23 25 O 0.34311731791058 0.67339941209678 0.36465958642096 15.999 > 25 26 O 0.84311731791058 0.67339941209678 0.36465958642096 15.999 > 25 27 O 0.15688268208942 0.17339941209678 0.13534041357904 15.999 > 27 28 O 0.65688268208942 0.17339941209678 0.13534041357904 15.999 > 27 29 O 0.15688268208942 0.32660058790322 0.63534041357904 15.999 > 29 30 O 0.65688268208942 0.32660058790322 0.63534041357904 15.999 > 29 31 O 0.34311731791058 0.82660058790322 0.86465958642096 15.999 > 31 32 O 0.84311731791058 0.82660058790322 0.86465958642096 15.999 > 31 33 O 0.49954201623900 0.66200417754859 0.89196595605858 15.999 > 33 34 O 0.99954201623900 0.66200417754859 0.89196595605858 15.999 > 33 35 O 0.00045798376100 0.16200417754860 0.60803404394142 15.999 > 35 36 O 0.50045798376100 0.16200417754860 0.60803404394142 15.999 > 35 37 O 0.00045798376100 0.33799582245141 0.10803404394142 15.999 > 37 38 O 0.50045798376100 0.33799582245141 0.10803404394142 15.999 > 37 39 O 0.49954201623900 0.83799582245141 0.39196595605858 15.999 > 39 40 O 0.99954201623900 0.83799582245141 0.39196595605858 15.999 > 39 41 O 0.14195324223559 0.94447835779117 0.60863998610285 15.999 > 41 42 O 0.64195324223559 0.94447835779117 0.60863998610285 15.999 > 41 43 O 0.35804675776442 0.44447835779117 0.89136001389715 15.999 > 43 44 O 0.85804675776442 0.44447835779117 0.89136001389715 15.999 > 43 45 O 0.35804675776442 0.05552164220883 0.39136001389715 15.999 > 45 46 O 0.85804675776442 0.05552164220883 0.39136001389715 15.999 > 45 47 O 0.14195324223559 0.55552164220883 0.10863998610285 15.999 > 47 48 O 0.64195324223559 0.55552164220883 0.10863998610285 15.999 > 47 49 O 0.12530172463497 0.74690043738476 0.15483192719423 15.999 > 49 50 O 0.62530172463497 0.74690043738476 0.15483192719423 15.999 > 49 51 O 0.37469827536503 0.24690043738476 0.34516807280577 15.999 > 51 52 O 0.87469827536503 0.24690043738476 0.34516807280577 15.999 > 51 53 O 0.37469827536503 0.25309956261524 0.84516807280577 15.999 > 53 54 O 0.87469827536503 0.25309956261524 0.84516807280577 15.999 > 53 55 O 0.12530172463497 0.75309956261524 0.65483192719423 15.999 > 55 56 O 0.62530172463497 0.75309956261524 0.65483192719423 15.999 > 55 57 O 0.19064715680658 0.70322736579857 0.96375454025889 15.999 > 57 58 O 0.69064715680658 0.70322736579857 0.96375454025889 15.999 > 57 59 O 0.30935284319342 0.20322736579857 0.53624545974111 15.999 > 59 60 O 0.80935284319342 0.20322736579857 0.53624545974111 15.999 > 59 61 O 0.30935284319342 0.29677263420143 0.03624545974111 15.999 > 61 62 O 0.80935284319342 0.29677263420143 0.03624545974111 15.999 > 61 63 O 0.19064715680658 0.79677263420143 0.46375454025889 15.999 > 63 64 O 0.69064715680658 0.79677263420143 0.46375454025889 15.999 > 63 65 O 0.14534122945693 0.97158094807994 0.27948979119182 15.999 > 65 66 O 0.64534122945693 0.97158094807994 0.27948979119182 15.999 > 65 67 O 0.35465877054307 0.47158094807994 0.22051020880818 15.999 > 67 68 O 0.85465877054307 0.47158094807994 0.22051020880818 15.999 > 67 69 O 0.35465877054307 0.02841905192006 0.72051020880818 15.999 > 69 70 O 0.85465877054307 0.02841905192006 0.72051020880818 15.999 > 69 71 O 0.14534122945693 0.52841905192006 0.77948979119182 15.999 > 71 72 O 0.64534122945693 0.52841905192006 0.77948979119182 15.999 > 71 73 P 0.11293120012804 0.66513271843171 0.02535540125357 30.974 > 73 74 P 0.61293120012804 0.66513271843171 0.02535540125357 30.974 > 73 75 P 0.38706879987196 0.16513271843171 0.47464459874643 30.974 > 75 76 P 0.88706879987196 0.16513271843171 0.47464459874643 30.974 > 75 77 P 0.38706879987196 0.33486728156829 0.97464459874643 30.974 > 77 78 P 0.88706879987196 0.33486728156829 0.97464459874643 30.974 > 77 79 P 0.11293120012804 0.83486728156829 0.52535540125357 30.974 > 79 80 P 0.61293120012804 0.83486728156829 0.52535540125357 30.974 > 79 81 Ge 0.09714293298009 0.39660067268035 0.73623569082571 72.640 > 81 82 Ge 0.59714293298009 0.39660067268035 0.73623569082571 72.640 > 81 83 Ge 0.40285706701991 0.89660067268036 0.76376430917429 72.640 > 83 84 Ge 0.90285706701991 0.89660067268036 0.76376430917429 72.640 > 83 85 Ge 0.40285706701991 0.60339932731964 0.26376430917429 72.640 > 85 86 Ge 0.90285706701991 0.60339932731964 0.26376430917429 72.640 > 85 87 Ge 0.09714293298009 0.10339932731965 0.23623569082571 72.640 > 87 88 Ge 0.59714293298009 0.10339932731965 0.23623569082571 72.640 > 87 89 Pr 0.18096289433058 0.61030058837380 0.37438771690375 140.908 > 89 90 Pr 0.68096289433058 0.61030058837380 0.37438771690375 140.908 > 89 91 Pr 0.31903710566942 0.11030058837380 0.12561228309625 140.908 > 91 92 Pr 0.81903710566942 0.11030058837380 0.12561228309625 140.908 > 91 93 Pr 0.31903710566942 0.38969941162620 0.62561228309625 140.908 > 93 94 Pr 0.81903710566942 0.38969941162620 0.62561228309625 140.908 > 93 95 Pr 0.18096289433058 0.88969941162620 0.87438771690375 140.908 > 95 96 Pr 0.68096289433058 0.88969941162620 0.87438771690375 140.908 > 95 97 Pr 0.30629380994838 0.86978337019965 0.35437978922980 140.908 > 97 98 Pr 0.80629380994838 0.86978337019965 0.35437978922980 140.908 > 97 99 Pr 0.19370619005162 0.36978337019965 0.14562021077020 140.908 > 99 100 Pr 0.69370619005162 0.36978337019965 0.14562021077020 140.908 > 99 101 Pr 0.19370619005162 0.13021662980035 0.64562021077020 140.908 > 101 102 Pr 0.69370619005162 0.13021662980035 0.64562021077020 140.908 > 101 103 Pr 0.30629380994838 0.63021662980035 0.85437978922980 140.908 > 103 104 Pr 0.80629380994838 0.63021662980035 0.85437978922980 140.908 > 103 105 Pr 0.48153894172664 0.63330260357279 0.62940301857938 140.908 > 105 106 Pr 0.98153894172664 0.63330260357279 0.62940301857938 140.908 > 105 107 Pr 0.01846105827336 0.13330260357279 0.87059698142062 140.908 > 107 108 Pr 0.51846105827336 0.13330260357279 0.87059698142062 140.908 > 107 109 Pr 0.01846105827336 0.36669739642721 0.37059698142062 140.908 > 109 110 Pr 0.51846105827336 0.36669739642721 0.37059698142062 140.908 > 109 111 Pr 0.48153894172664 0.86669739642721 0.12940301857938 140.908 > 111 112 Pr 0.98153894172664 0.86669739642721 0.12940301857938 140.908 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8128060 0.0000000 -0.0347935 0.0000000 3.8515559 0.0000000 -0.0348048 0.0000000 3.8719220 -------------------------- Born effective charges -------------------------- 1 O -1.4892346 0.4460053 0.1646240 0.4743481 -2.1209848 -0.2480944 0.2187086 -0.2716909 -2.5661603 2 O -1.4892346 -0.4460053 0.1646240 -0.4743481 -2.1209848 0.2480944 0.2187086 0.2716909 -2.5661603 3 O -1.4892346 0.4460053 0.1646240 0.4743481 -2.1209848 -0.2480944 0.2187086 -0.2716909 -2.5661603 4 O -1.4892346 -0.4460053 0.1646240 -0.4743481 -2.1209848 0.2480944 0.2187086 0.2716909 -2.5661603 5 O -2.7605898 0.0824734 -0.0781961 0.0590411 -1.8657244 -0.0371527 -0.0427890 0.0066329 -1.8842384 6 O -2.7605898 -0.0824734 -0.0781961 -0.0590411 -1.8657244 0.0371527 -0.0427890 -0.0066329 -1.8842384 7 O -2.7605898 0.0824734 -0.0781961 0.0590411 -1.8657244 -0.0371527 -0.0427890 0.0066329 -1.8842384 8 O -2.7605898 -0.0824734 -0.0781961 -0.0590411 -1.8657244 0.0371527 -0.0427890 -0.0066329 -1.8842384 9 O -2.3857141 -0.0247313 0.0581223 -0.1058787 -2.3151687 -0.0307789 0.0552695 -0.1105612 -2.7631757 10 O -2.3857141 0.0247313 0.0581223 0.1058787 -2.3151687 0.0307789 0.0552695 0.1105612 -2.7631757 11 O -2.3857141 -0.0247313 0.0581223 -0.1058787 -2.3151687 -0.0307789 0.0552695 -0.1105612 -2.7631757 12 O -2.3857141 0.0247313 0.0581223 0.1058787 -2.3151687 0.0307789 0.0552695 0.1105612 -2.7631757 13 O -2.5297557 0.3509212 0.2341721 0.3390456 -2.1995851 -0.0768244 0.1859659 -0.0288833 -2.0108735 14 O -2.5297557 -0.3509212 0.2341721 -0.3390456 -2.1995851 0.0768244 0.1859659 0.0288833 -2.0108735 15 O -2.5297557 0.3509212 0.2341721 0.3390456 -2.1995851 -0.0768244 0.1859659 -0.0288833 -2.0108735 16 O -2.5297557 -0.3509212 0.2341721 -0.3390456 -2.1995851 0.0768244 0.1859659 0.0288833 -2.0108735 17 O -2.1200366 -0.0403154 -0.4421930 -0.0976394 -1.1984091 -0.1500161 -0.4870967 -0.1518628 -2.5841217 18 O -2.1200366 0.0403154 -0.4421930 0.0976394 -1.1984091 0.1500161 -0.4870967 0.1518628 -2.5841217 19 O -2.1200366 -0.0403154 -0.4421930 -0.0976394 -1.1984091 -0.1500161 -0.4870967 -0.1518628 -2.5841217 20 O -2.1200366 0.0403154 -0.4421930 0.0976394 -1.1984091 0.1500161 -0.4870967 0.1518628 -2.5841217 21 O -1.1318778 -0.3005333 0.0698234 -0.1833987 -2.7295160 -0.5602236 0.1070749 -0.6255803 -2.0782240 22 O -1.1318778 0.3005333 0.0698234 0.1833987 -2.7295160 0.5602236 0.1070749 0.6255803 -2.0782240 23 O -1.1318778 -0.3005333 0.0698234 -0.1833987 -2.7295160 -0.5602236 0.1070749 -0.6255803 -2.0782240 24 O -1.1318778 0.3005333 0.0698234 0.1833987 -2.7295160 0.5602236 0.1070749 0.6255803 -2.0782240 25 O -1.7403514 0.5394345 0.1746177 0.3848926 -2.2057560 -0.2894986 0.1282525 -0.2198491 -2.2497546 26 O -1.7403514 -0.5394345 0.1746177 -0.3848926 -2.2057560 0.2894986 0.1282525 0.2198491 -2.2497546 27 O -1.7403514 0.5394345 0.1746177 0.3848926 -2.2057560 -0.2894986 0.1282525 -0.2198491 -2.2497546 28 O -1.7403514 -0.5394345 0.1746177 -0.3848926 -2.2057560 0.2894986 0.1282525 0.2198491 -2.2497546 29 O -2.5357729 -0.2888718 0.5531154 -0.2993658 -1.9462573 0.2596199 0.6538981 0.2331383 -1.6189341 30 O -2.5357729 0.2888718 0.5531154 0.2993658 -1.9462573 -0.2596199 0.6538981 -0.2331383 -1.6189341 31 O -2.5357729 -0.2888718 0.5531154 -0.2993658 -1.9462573 0.2596199 0.6538981 0.2331383 -1.6189341 32 O -2.5357729 0.2888718 0.5531154 0.2993658 -1.9462573 -0.2596199 0.6538981 -0.2331383 -1.6189341 33 O -2.1515468 0.3422674 -0.4618316 0.2807973 -2.4641371 0.0482931 -0.4809139 0.1659516 -1.5151377 34 O -2.1515468 -0.3422674 -0.4618316 -0.2807973 -2.4641371 -0.0482931 -0.4809139 -0.1659516 -1.5151377 35 O -2.1515468 0.3422674 -0.4618316 0.2807973 -2.4641371 0.0482931 -0.4809139 0.1659516 -1.5151377 36 O -2.1515468 -0.3422674 -0.4618316 -0.2807973 -2.4641371 -0.0482931 -0.4809139 -0.1659516 -1.5151377 37 P 3.5057739 -0.0265387 -0.0983641 0.2746723 3.4569546 -0.1241302 -0.0648075 -0.3986438 4.2393930 38 P 3.5057739 0.0265387 -0.0983641 -0.2746723 3.4569546 0.1241302 -0.0648075 0.3986438 4.2393930 39 P 3.5057739 -0.0265387 -0.0983641 0.2746723 3.4569546 -0.1241302 -0.0648075 -0.3986438 4.2393930 40 P 3.5057739 0.0265387 -0.0983641 -0.2746723 3.4569546 0.1241302 -0.0648075 0.3986438 4.2393930 41 Ge 3.0941507 -0.0696914 -0.0410097 -0.0249317 3.2729114 -0.1582353 -0.2997686 -0.1636512 3.2095739 42 Ge 3.0941507 0.0696914 -0.0410097 0.0249317 3.2729114 0.1582353 -0.2997686 0.1636512 3.2095739 43 Ge 3.0941507 -0.0696914 -0.0410097 -0.0249317 3.2729114 -0.1582353 -0.2997686 -0.1636512 3.2095739 44 Ge 3.0941507 0.0696914 -0.0410097 0.0249317 3.2729114 0.1582353 -0.2997686 0.1636512 3.2095739 45 Pr 4.0404292 0.1388252 0.0204532 0.1212677 3.9063117 -0.2648669 0.1026657 -0.2402578 3.8113208 46 Pr 4.0404292 -0.1388252 0.0204532 -0.1212677 3.9063117 0.2648669 0.1026657 0.2402578 3.8113208 47 Pr 4.0404292 0.1388252 0.0204532 0.1212677 3.9063117 -0.2648669 0.1026657 -0.2402578 3.8113208 48 Pr 4.0404292 -0.1388252 0.0204532 -0.1212677 3.9063117 0.2648669 0.1026657 0.2402578 3.8113208 49 Pr 4.1573905 -0.1092978 -0.2250042 -0.0647872 4.3795298 -0.4853574 -0.0233481 -0.6203422 4.1792648 50 Pr 4.1573905 0.1092978 -0.2250042 0.0647872 4.3795298 0.4853574 -0.0233481 0.6203422 4.1792648 51 Pr 4.1573905 -0.1092978 -0.2250042 -0.0647872 4.3795298 -0.4853574 -0.0233481 -0.6203422 4.1792648 52 Pr 4.1573905 0.1092978 -0.2250042 0.0647872 4.3795298 0.4853574 -0.0233481 0.6203422 4.1792648 53 Pr 4.0471353 -0.1041316 0.0716708 0.0540571 4.0298312 -0.0038682 -0.0531112 0.0662914 3.8310673 54 Pr 4.0471353 0.1041316 0.0716708 -0.0540571 4.0298312 0.0038682 -0.0531112 -0.0662914 3.8310673 55 Pr 4.0471353 -0.1041316 0.0716708 0.0540571 4.0298312 -0.0038682 -0.0531112 0.0662914 3.8310673 56 Pr 4.0471353 0.1041316 0.0716708 -0.0540571 4.0298312 0.0038682 -0.0531112 -0.0662914 3.8310673 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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 (zx) -0.00000000 (zx) 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 00:32:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:32:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.044917680000567 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): 1 O 0.83500116445501 0.82500644327192 0.62130767784021 15.999 2 O 0.16499883554499 0.32500644327192 0.87869232215979 15.999 3 O 0.16499883554499 0.17499355672808 0.37869232215979 15.999 4 O 0.83500116445501 0.67499355672808 0.12130767784021 15.999 5 O 0.06426711960783 0.57433747994061 0.41595070646568 15.999 6 O 0.93573288039217 0.07433747994061 0.08404929353432 15.999 7 O 0.93573288039217 0.42566252005939 0.58404929353432 15.999 8 O 0.06426711960783 0.92566252005939 0.91595070646568 15.999 9 O 0.63025593055444 0.57884313874572 0.62368590084489 15.999 10 O 0.36974406944556 0.07884313874572 0.87631409915511 15.999 11 O 0.36974406944556 0.42115686125428 0.37631409915510 15.999 12 O 0.63025593055444 0.92115686125428 0.12368590084490 15.999 13 O 0.68623463582117 0.67339941209678 0.36465958642096 15.999 14 O 0.31376536417883 0.17339941209678 0.13534041357904 15.999 15 O 0.31376536417883 0.32660058790322 0.63534041357904 15.999 16 O 0.68623463582117 0.82660058790322 0.86465958642096 15.999 17 O 0.99908403247800 0.66200417754859 0.89196595605858 15.999 18 O 0.00091596752200 0.16200417754860 0.60803404394142 15.999 19 O 0.00091596752200 0.33799582245141 0.10803404394142 15.999 20 O 0.99908403247800 0.83799582245141 0.39196595605858 15.999 21 O 0.28390648447117 0.94447835779117 0.60863998610285 15.999 22 O 0.71609351552883 0.44447835779117 0.89136001389715 15.999 23 O 0.71609351552883 0.05552164220883 0.39136001389715 15.999 24 O 0.28390648447117 0.55552164220883 0.10863998610285 15.999 25 O 0.25060344926995 0.74690043738476 0.15483192719423 15.999 26 O 0.74939655073005 0.24690043738476 0.34516807280577 15.999 27 O 0.74939655073005 0.25309956261524 0.84516807280577 15.999 28 O 0.25060344926995 0.75309956261524 0.65483192719423 15.999 29 O 0.38129431361316 0.70322736579857 0.96375454025889 15.999 30 O 0.61870568638684 0.20322736579857 0.53624545974111 15.999 31 O 0.61870568638684 0.29677263420143 0.03624545974111 15.999 32 O 0.38129431361316 0.79677263420143 0.46375454025889 15.999 33 O 0.29068245891386 0.97158094807994 0.27948979119182 15.999 34 O 0.70931754108614 0.47158094807994 0.22051020880818 15.999 35 O 0.70931754108614 0.02841905192006 0.72051020880818 15.999 36 O 0.29068245891386 0.52841905192006 0.77948979119182 15.999 37 P 0.22586240025608 0.66513271843171 0.02535540125357 30.974 38 P 0.77413759974392 0.16513271843171 0.47464459874643 30.974 39 P 0.77413759974392 0.33486728156829 0.97464459874643 30.974 40 P 0.22586240025608 0.83486728156829 0.52535540125357 30.974 41 Ge 0.19428586596017 0.39660067268035 0.73623569082571 72.640 42 Ge 0.80571413403982 0.89660067268036 0.76376430917429 72.640 43 Ge 0.80571413403982 0.60339932731964 0.26376430917429 72.640 44 Ge 0.19428586596017 0.10339932731965 0.23623569082571 72.640 45 Pr 0.36192578866117 0.61030058837380 0.37438771690375 140.908 46 Pr 0.63807421133883 0.11030058837380 0.12561228309625 140.908 47 Pr 0.63807421133883 0.38969941162620 0.62561228309625 140.908 48 Pr 0.36192578866117 0.88969941162620 0.87438771690375 140.908 49 Pr 0.61258761989675 0.86978337019965 0.35437978922980 140.908 50 Pr 0.38741238010325 0.36978337019965 0.14562021077020 140.908 51 Pr 0.38741238010325 0.13021662980035 0.64562021077020 140.908 52 Pr 0.61258761989675 0.63021662980035 0.85437978922980 140.908 53 Pr 0.96307788345328 0.63330260357279 0.62940301857938 140.908 54 Pr 0.03692211654672 0.13330260357279 0.87059698142062 140.908 55 Pr 0.03692211654672 0.36669739642721 0.37059698142062 140.908 56 Pr 0.96307788345328 0.86669739642721 0.12940301857938 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.089835360001134 0.000000000000000 0.000000000000000 b 0.000000000000000 12.444994149999998 0.000000000000000 c -4.377810826290863 0.000000000000000 8.728455131398944 Atomic positions (fractional): 1 O 0.41750058222751 0.82500644327192 0.62130767784021 15.999 > 1 2 O 0.91750058222751 0.82500644327192 0.62130767784021 15.999 > 1 3 O 0.08249941777249 0.32500644327192 0.87869232215979 15.999 > 3 4 O 0.58249941777249 0.32500644327192 0.87869232215979 15.999 > 3 5 O 0.08249941777249 0.17499355672808 0.37869232215979 15.999 > 5 6 O 0.58249941777249 0.17499355672808 0.37869232215979 15.999 > 5 7 O 0.41750058222751 0.67499355672808 0.12130767784021 15.999 > 7 8 O 0.91750058222751 0.67499355672808 0.12130767784021 15.999 > 7 9 O 0.03213355980392 0.57433747994061 0.41595070646568 15.999 > 9 10 O 0.53213355980392 0.57433747994061 0.41595070646568 15.999 > 9 11 O 0.46786644019608 0.07433747994061 0.08404929353432 15.999 > 11 12 O 0.96786644019608 0.07433747994061 0.08404929353432 15.999 > 11 13 O 0.46786644019608 0.42566252005939 0.58404929353432 15.999 > 13 14 O 0.96786644019608 0.42566252005939 0.58404929353432 15.999 > 13 15 O 0.03213355980392 0.92566252005939 0.91595070646568 15.999 > 15 16 O 0.53213355980392 0.92566252005939 0.91595070646568 15.999 > 15 17 O 0.31512796527722 0.57884313874572 0.62368590084489 15.999 > 17 18 O 0.81512796527722 0.57884313874572 0.62368590084489 15.999 > 17 19 O 0.18487203472278 0.07884313874572 0.87631409915511 15.999 > 19 20 O 0.68487203472278 0.07884313874572 0.87631409915511 15.999 > 19 21 O 0.18487203472278 0.42115686125428 0.37631409915510 15.999 > 21 22 O 0.68487203472278 0.42115686125428 0.37631409915510 15.999 > 21 23 O 0.31512796527722 0.92115686125428 0.12368590084490 15.999 > 23 24 O 0.81512796527722 0.92115686125428 0.12368590084490 15.999 > 23 25 O 0.34311731791058 0.67339941209678 0.36465958642096 15.999 > 25 26 O 0.84311731791058 0.67339941209678 0.36465958642096 15.999 > 25 27 O 0.15688268208942 0.17339941209678 0.13534041357904 15.999 > 27 28 O 0.65688268208942 0.17339941209678 0.13534041357904 15.999 > 27 29 O 0.15688268208942 0.32660058790322 0.63534041357904 15.999 > 29 30 O 0.65688268208942 0.32660058790322 0.63534041357904 15.999 > 29 31 O 0.34311731791058 0.82660058790322 0.86465958642096 15.999 > 31 32 O 0.84311731791058 0.82660058790322 0.86465958642096 15.999 > 31 33 O 0.49954201623900 0.66200417754859 0.89196595605858 15.999 > 33 34 O 0.99954201623900 0.66200417754859 0.89196595605858 15.999 > 33 35 O 0.00045798376100 0.16200417754860 0.60803404394142 15.999 > 35 36 O 0.50045798376100 0.16200417754860 0.60803404394142 15.999 > 35 37 O 0.00045798376100 0.33799582245141 0.10803404394142 15.999 > 37 38 O 0.50045798376100 0.33799582245141 0.10803404394142 15.999 > 37 39 O 0.49954201623900 0.83799582245141 0.39196595605858 15.999 > 39 40 O 0.99954201623900 0.83799582245141 0.39196595605858 15.999 > 39 41 O 0.14195324223559 0.94447835779117 0.60863998610285 15.999 > 41 42 O 0.64195324223559 0.94447835779117 0.60863998610285 15.999 > 41 43 O 0.35804675776442 0.44447835779117 0.89136001389715 15.999 > 43 44 O 0.85804675776442 0.44447835779117 0.89136001389715 15.999 > 43 45 O 0.35804675776442 0.05552164220883 0.39136001389715 15.999 > 45 46 O 0.85804675776442 0.05552164220883 0.39136001389715 15.999 > 45 47 O 0.14195324223559 0.55552164220883 0.10863998610285 15.999 > 47 48 O 0.64195324223559 0.55552164220883 0.10863998610285 15.999 > 47 49 O 0.12530172463497 0.74690043738476 0.15483192719423 15.999 > 49 50 O 0.62530172463497 0.74690043738476 0.15483192719423 15.999 > 49 51 O 0.37469827536503 0.24690043738476 0.34516807280577 15.999 > 51 52 O 0.87469827536503 0.24690043738476 0.34516807280577 15.999 > 51 53 O 0.37469827536503 0.25309956261524 0.84516807280577 15.999 > 53 54 O 0.87469827536503 0.25309956261524 0.84516807280577 15.999 > 53 55 O 0.12530172463497 0.75309956261524 0.65483192719423 15.999 > 55 56 O 0.62530172463497 0.75309956261524 0.65483192719423 15.999 > 55 57 O 0.19064715680658 0.70322736579857 0.96375454025889 15.999 > 57 58 O 0.69064715680658 0.70322736579857 0.96375454025889 15.999 > 57 59 O 0.30935284319342 0.20322736579857 0.53624545974111 15.999 > 59 60 O 0.80935284319342 0.20322736579857 0.53624545974111 15.999 > 59 61 O 0.30935284319342 0.29677263420143 0.03624545974111 15.999 > 61 62 O 0.80935284319342 0.29677263420143 0.03624545974111 15.999 > 61 63 O 0.19064715680658 0.79677263420143 0.46375454025889 15.999 > 63 64 O 0.69064715680658 0.79677263420143 0.46375454025889 15.999 > 63 65 O 0.14534122945693 0.97158094807994 0.27948979119182 15.999 > 65 66 O 0.64534122945693 0.97158094807994 0.27948979119182 15.999 > 65 67 O 0.35465877054307 0.47158094807994 0.22051020880818 15.999 > 67 68 O 0.85465877054307 0.47158094807994 0.22051020880818 15.999 > 67 69 O 0.35465877054307 0.02841905192006 0.72051020880818 15.999 > 69 70 O 0.85465877054307 0.02841905192006 0.72051020880818 15.999 > 69 71 O 0.14534122945693 0.52841905192006 0.77948979119182 15.999 > 71 72 O 0.64534122945693 0.52841905192006 0.77948979119182 15.999 > 71 73 P 0.11293120012804 0.66513271843171 0.02535540125357 30.974 > 73 74 P 0.61293120012804 0.66513271843171 0.02535540125357 30.974 > 73 75 P 0.38706879987196 0.16513271843171 0.47464459874643 30.974 > 75 76 P 0.88706879987196 0.16513271843171 0.47464459874643 30.974 > 75 77 P 0.38706879987196 0.33486728156829 0.97464459874643 30.974 > 77 78 P 0.88706879987196 0.33486728156829 0.97464459874643 30.974 > 77 79 P 0.11293120012804 0.83486728156829 0.52535540125357 30.974 > 79 80 P 0.61293120012804 0.83486728156829 0.52535540125357 30.974 > 79 81 Ge 0.09714293298009 0.39660067268035 0.73623569082571 72.640 > 81 82 Ge 0.59714293298009 0.39660067268035 0.73623569082571 72.640 > 81 83 Ge 0.40285706701991 0.89660067268036 0.76376430917429 72.640 > 83 84 Ge 0.90285706701991 0.89660067268036 0.76376430917429 72.640 > 83 85 Ge 0.40285706701991 0.60339932731964 0.26376430917429 72.640 > 85 86 Ge 0.90285706701991 0.60339932731964 0.26376430917429 72.640 > 85 87 Ge 0.09714293298009 0.10339932731965 0.23623569082571 72.640 > 87 88 Ge 0.59714293298009 0.10339932731965 0.23623569082571 72.640 > 87 89 Pr 0.18096289433058 0.61030058837380 0.37438771690375 140.908 > 89 90 Pr 0.68096289433058 0.61030058837380 0.37438771690375 140.908 > 89 91 Pr 0.31903710566942 0.11030058837380 0.12561228309625 140.908 > 91 92 Pr 0.81903710566942 0.11030058837380 0.12561228309625 140.908 > 91 93 Pr 0.31903710566942 0.38969941162620 0.62561228309625 140.908 > 93 94 Pr 0.81903710566942 0.38969941162620 0.62561228309625 140.908 > 93 95 Pr 0.18096289433058 0.88969941162620 0.87438771690375 140.908 > 95 96 Pr 0.68096289433058 0.88969941162620 0.87438771690375 140.908 > 95 97 Pr 0.30629380994838 0.86978337019965 0.35437978922980 140.908 > 97 98 Pr 0.80629380994838 0.86978337019965 0.35437978922980 140.908 > 97 99 Pr 0.19370619005162 0.36978337019965 0.14562021077020 140.908 > 99 100 Pr 0.69370619005162 0.36978337019965 0.14562021077020 140.908 > 99 101 Pr 0.19370619005162 0.13021662980035 0.64562021077020 140.908 > 101 102 Pr 0.69370619005162 0.13021662980035 0.64562021077020 140.908 > 101 103 Pr 0.30629380994838 0.63021662980035 0.85437978922980 140.908 > 103 104 Pr 0.80629380994838 0.63021662980035 0.85437978922980 140.908 > 103 105 Pr 0.48153894172664 0.63330260357279 0.62940301857938 140.908 > 105 106 Pr 0.98153894172664 0.63330260357279 0.62940301857938 140.908 > 105 107 Pr 0.01846105827336 0.13330260357279 0.87059698142062 140.908 > 107 108 Pr 0.51846105827336 0.13330260357279 0.87059698142062 140.908 > 107 109 Pr 0.01846105827336 0.36669739642721 0.37059698142062 140.908 > 109 110 Pr 0.51846105827336 0.36669739642721 0.37059698142062 140.908 > 109 111 Pr 0.48153894172664 0.86669739642721 0.12940301857938 140.908 > 111 112 Pr 0.98153894172664 0.86669739642721 0.12940301857938 140.908 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8128060 0.0000000 -0.0347935 0.0000000 3.8515559 0.0000000 -0.0348048 0.0000000 3.8719220 -------------------------- Born effective charges -------------------------- 1 O -1.4892346 0.4460053 0.1646240 0.4743481 -2.1209848 -0.2480944 0.2187086 -0.2716909 -2.5661603 2 O -1.4892346 -0.4460053 0.1646240 -0.4743481 -2.1209848 0.2480944 0.2187086 0.2716909 -2.5661603 3 O -1.4892346 0.4460053 0.1646240 0.4743481 -2.1209848 -0.2480944 0.2187086 -0.2716909 -2.5661603 4 O -1.4892346 -0.4460053 0.1646240 -0.4743481 -2.1209848 0.2480944 0.2187086 0.2716909 -2.5661603 5 O -2.7605898 0.0824734 -0.0781961 0.0590411 -1.8657244 -0.0371527 -0.0427890 0.0066329 -1.8842384 6 O -2.7605898 -0.0824734 -0.0781961 -0.0590411 -1.8657244 0.0371527 -0.0427890 -0.0066329 -1.8842384 7 O -2.7605898 0.0824734 -0.0781961 0.0590411 -1.8657244 -0.0371527 -0.0427890 0.0066329 -1.8842384 8 O -2.7605898 -0.0824734 -0.0781961 -0.0590411 -1.8657244 0.0371527 -0.0427890 -0.0066329 -1.8842384 9 O -2.3857141 -0.0247313 0.0581223 -0.1058787 -2.3151687 -0.0307789 0.0552695 -0.1105612 -2.7631757 10 O -2.3857141 0.0247313 0.0581223 0.1058787 -2.3151687 0.0307789 0.0552695 0.1105612 -2.7631757 11 O -2.3857141 -0.0247313 0.0581223 -0.1058787 -2.3151687 -0.0307789 0.0552695 -0.1105612 -2.7631757 12 O -2.3857141 0.0247313 0.0581223 0.1058787 -2.3151687 0.0307789 0.0552695 0.1105612 -2.7631757 13 O -2.5297557 0.3509212 0.2341721 0.3390456 -2.1995851 -0.0768244 0.1859659 -0.0288833 -2.0108735 14 O -2.5297557 -0.3509212 0.2341721 -0.3390456 -2.1995851 0.0768244 0.1859659 0.0288833 -2.0108735 15 O -2.5297557 0.3509212 0.2341721 0.3390456 -2.1995851 -0.0768244 0.1859659 -0.0288833 -2.0108735 16 O -2.5297557 -0.3509212 0.2341721 -0.3390456 -2.1995851 0.0768244 0.1859659 0.0288833 -2.0108735 17 O -2.1200366 -0.0403154 -0.4421930 -0.0976394 -1.1984091 -0.1500161 -0.4870967 -0.1518628 -2.5841217 18 O -2.1200366 0.0403154 -0.4421930 0.0976394 -1.1984091 0.1500161 -0.4870967 0.1518628 -2.5841217 19 O -2.1200366 -0.0403154 -0.4421930 -0.0976394 -1.1984091 -0.1500161 -0.4870967 -0.1518628 -2.5841217 20 O -2.1200366 0.0403154 -0.4421930 0.0976394 -1.1984091 0.1500161 -0.4870967 0.1518628 -2.5841217 21 O -1.1318778 -0.3005333 0.0698234 -0.1833987 -2.7295160 -0.5602236 0.1070749 -0.6255803 -2.0782240 22 O -1.1318778 0.3005333 0.0698234 0.1833987 -2.7295160 0.5602236 0.1070749 0.6255803 -2.0782240 23 O -1.1318778 -0.3005333 0.0698234 -0.1833987 -2.7295160 -0.5602236 0.1070749 -0.6255803 -2.0782240 24 O -1.1318778 0.3005333 0.0698234 0.1833987 -2.7295160 0.5602236 0.1070749 0.6255803 -2.0782240 25 O -1.7403514 0.5394345 0.1746177 0.3848926 -2.2057560 -0.2894986 0.1282525 -0.2198491 -2.2497546 26 O -1.7403514 -0.5394345 0.1746177 -0.3848926 -2.2057560 0.2894986 0.1282525 0.2198491 -2.2497546 27 O -1.7403514 0.5394345 0.1746177 0.3848926 -2.2057560 -0.2894986 0.1282525 -0.2198491 -2.2497546 28 O -1.7403514 -0.5394345 0.1746177 -0.3848926 -2.2057560 0.2894986 0.1282525 0.2198491 -2.2497546 29 O -2.5357729 -0.2888718 0.5531154 -0.2993658 -1.9462573 0.2596199 0.6538981 0.2331383 -1.6189341 30 O -2.5357729 0.2888718 0.5531154 0.2993658 -1.9462573 -0.2596199 0.6538981 -0.2331383 -1.6189341 31 O -2.5357729 -0.2888718 0.5531154 -0.2993658 -1.9462573 0.2596199 0.6538981 0.2331383 -1.6189341 32 O -2.5357729 0.2888718 0.5531154 0.2993658 -1.9462573 -0.2596199 0.6538981 -0.2331383 -1.6189341 33 O -2.1515468 0.3422674 -0.4618316 0.2807973 -2.4641371 0.0482931 -0.4809139 0.1659516 -1.5151377 34 O -2.1515468 -0.3422674 -0.4618316 -0.2807973 -2.4641371 -0.0482931 -0.4809139 -0.1659516 -1.5151377 35 O -2.1515468 0.3422674 -0.4618316 0.2807973 -2.4641371 0.0482931 -0.4809139 0.1659516 -1.5151377 36 O -2.1515468 -0.3422674 -0.4618316 -0.2807973 -2.4641371 -0.0482931 -0.4809139 -0.1659516 -1.5151377 37 P 3.5057739 -0.0265387 -0.0983641 0.2746723 3.4569546 -0.1241302 -0.0648075 -0.3986438 4.2393930 38 P 3.5057739 0.0265387 -0.0983641 -0.2746723 3.4569546 0.1241302 -0.0648075 0.3986438 4.2393930 39 P 3.5057739 -0.0265387 -0.0983641 0.2746723 3.4569546 -0.1241302 -0.0648075 -0.3986438 4.2393930 40 P 3.5057739 0.0265387 -0.0983641 -0.2746723 3.4569546 0.1241302 -0.0648075 0.3986438 4.2393930 41 Ge 3.0941507 -0.0696914 -0.0410097 -0.0249317 3.2729114 -0.1582353 -0.2997686 -0.1636512 3.2095739 42 Ge 3.0941507 0.0696914 -0.0410097 0.0249317 3.2729114 0.1582353 -0.2997686 0.1636512 3.2095739 43 Ge 3.0941507 -0.0696914 -0.0410097 -0.0249317 3.2729114 -0.1582353 -0.2997686 -0.1636512 3.2095739 44 Ge 3.0941507 0.0696914 -0.0410097 0.0249317 3.2729114 0.1582353 -0.2997686 0.1636512 3.2095739 45 Pr 4.0404292 0.1388252 0.0204532 0.1212677 3.9063117 -0.2648669 0.1026657 -0.2402578 3.8113208 46 Pr 4.0404292 -0.1388252 0.0204532 -0.1212677 3.9063117 0.2648669 0.1026657 0.2402578 3.8113208 47 Pr 4.0404292 0.1388252 0.0204532 0.1212677 3.9063117 -0.2648669 0.1026657 -0.2402578 3.8113208 48 Pr 4.0404292 -0.1388252 0.0204532 -0.1212677 3.9063117 0.2648669 0.1026657 0.2402578 3.8113208 49 Pr 4.1573905 -0.1092978 -0.2250042 -0.0647872 4.3795298 -0.4853574 -0.0233481 -0.6203422 4.1792648 50 Pr 4.1573905 0.1092978 -0.2250042 0.0647872 4.3795298 0.4853574 -0.0233481 0.6203422 4.1792648 51 Pr 4.1573905 -0.1092978 -0.2250042 -0.0647872 4.3795298 -0.4853574 -0.0233481 -0.6203422 4.1792648 52 Pr 4.1573905 0.1092978 -0.2250042 0.0647872 4.3795298 0.4853574 -0.0233481 0.6203422 4.1792648 53 Pr 4.0471353 -0.1041316 0.0716708 0.0540571 4.0298312 -0.0038682 -0.0531112 0.0662914 3.8310673 54 Pr 4.0471353 0.1041316 0.0716708 -0.0540571 4.0298312 0.0038682 -0.0531112 -0.0662914 3.8310673 55 Pr 4.0471353 -0.1041316 0.0716708 0.0540571 4.0298312 -0.0038682 -0.0531112 0.0662914 3.8310673 56 Pr 4.0471353 0.1041316 0.0716708 -0.0540571 4.0298312 0.0038682 -0.0531112 -0.0662914 3.8310673 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 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: 0.45, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 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 1.765 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.114 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.374 ( 0.000 0.000 0.000) 0.000 11.378 ( 0.000 0.000 0.000) 0.000 11.442 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.346 ( 0.000 0.000 0.000) 0.000 12.411 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.971 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 14.311 ( 0.000 0.000 0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 15.977 ( 0.000 0.000 0.000) 0.000 16.002 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.172 ( 0.000 0.000 0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 16.592 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.647 ( 0.000 0.000 0.000) 0.000 17.172 ( 0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 0.000) 0.000 17.451 ( 0.000 0.000 0.000) 0.000 17.485 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 18.994 ( 0.000 0.000 0.000) 0.000 19.003 ( 0.000 0.000 0.000) 0.000 19.017 ( 0.000 0.000 0.000) 0.000 20.459 ( 0.000 0.000 0.000) 0.000 20.608 ( 0.000 0.000 0.000) 0.000 20.710 ( 0.000 0.000 0.000) 0.000 20.924 ( 0.000 0.000 0.000) 0.000 21.947 ( 0.000 0.000 0.000) 0.000 22.220 ( 0.000 0.000 0.000) 0.000 22.367 ( 0.000 0.000 0.000) 0.000 22.375 ( 0.000 0.000 0.000) 0.000 22.529 ( 0.000 0.000 0.000) 0.000 22.557 ( 0.000 0.000 0.000) 0.000 22.784 ( 0.000 0.000 0.000) 0.000 22.844 ( 0.000 0.000 0.000) 0.000 27.240 ( 0.000 0.000 0.000) 0.000 27.247 ( 0.000 0.000 0.000) 0.000 27.351 ( 0.000 0.000 0.000) 0.000 27.519 ( 0.000 0.000 0.000) 0.000 28.676 ( 0.000 0.000 0.000) 0.000 28.687 ( 0.000 0.000 0.000) 0.000 28.884 ( 0.000 0.000 0.000) 0.000 29.533 ( 0.000 0.000 0.000) 0.000 30.261 ( 0.000 0.000 0.000) 0.000 30.289 ( 0.000 0.000 0.000) 0.000 30.301 ( 0.000 0.000 0.000) 0.000 30.375 ( 0.000 0.000 0.000) 0.000 30.689 ( 0.000 0.000 0.000) 0.000 31.127 ( 0.000 0.000 0.000) 0.000 31.387 ( 0.000 0.000 0.000) 0.000 31.676 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 9.914 0.000 35.753) 37.102 0.583 ( 27.892 0.000 9.712) 29.534 1.032 ( 53.639 0.000 4.230) 53.805 1.792 ( -0.637 0.000 9.919) 9.940 1.975 ( 2.847 0.000 5.325) 6.038 2.069 ( 6.119 0.000 -6.287) 8.774 2.121 ( 9.258 0.000 -9.238) 13.079 2.132 ( 0.733 0.000 -8.365) 8.397 2.294 ( 10.730 0.000 7.726) 13.222 2.469 ( -2.997 0.000 -9.298) 9.769 2.543 ( 14.925 0.000 12.503) 19.470 2.562 ( 1.582 0.000 -7.460) 7.626 2.668 ( 5.068 0.000 6.801) 8.482 2.863 ( -3.157 0.000 -1.490) 3.491 2.868 ( 4.906 0.000 8.544) 9.852 3.007 ( -5.459 0.000 -0.019) 5.459 3.068 ( 7.416 0.000 4.199) 8.522 3.198 ( 4.433 0.000 0.307) 4.444 3.244 ( -0.127 0.000 -0.948) 0.956 3.413 ( 2.213 0.000 0.163) 2.219 3.468 ( 2.889 0.000 0.281) 2.903 3.505 ( -6.374 0.000 -1.555) 6.561 3.540 ( 2.271 0.000 1.266) 2.600 3.580 ( -5.430 0.000 12.438) 13.572 3.742 ( -3.208 0.000 2.839) 4.283 3.767 ( -4.658 0.000 -6.867) 8.298 3.801 ( 2.072 0.000 0.175) 2.079 3.971 ( -4.986 0.000 -3.123) 5.884 4.001 ( 1.135 0.000 -0.771) 1.372 4.073 ( 1.740 0.000 -1.807) 2.508 4.105 ( 2.360 0.000 3.919) 4.574 4.255 ( -6.008 0.000 -4.467) 7.486 4.262 ( 2.618 0.000 -0.744) 2.722 4.596 ( 3.188 0.000 4.213) 5.283 4.629 ( -6.798 0.000 1.973) 7.079 4.754 ( 1.274 0.000 -3.962) 4.162 4.772 ( -0.895 0.000 0.309) 0.947 4.883 ( 0.876 0.000 -3.478) 3.587 4.952 ( 3.615 0.000 -8.622) 9.349 5.022 ( -2.682 0.000 -2.029) 3.364 5.079 ( 1.866 0.000 2.311) 2.970 5.087 ( -2.980 0.000 2.580) 3.942 5.200 ( -2.128 0.000 -1.328) 2.508 5.233 ( -7.994 0.000 6.989) 10.618 5.245 ( 0.467 0.000 3.749) 3.778 5.289 ( -4.420 0.000 1.671) 4.725 5.341 ( 5.827 0.000 -3.186) 6.641 5.493 ( -2.221 0.000 1.253) 2.551 5.523 ( -2.006 0.000 2.692) 3.357 5.590 ( -2.880 0.000 -0.099) 2.882 5.591 ( -1.761 0.000 -6.714) 6.941 5.715 ( 2.462 0.000 -1.795) 3.047 5.755 ( -6.819 0.000 -3.975) 7.893 5.835 ( 1.192 0.000 0.237) 1.215 6.040 ( 9.089 0.000 -13.016) 15.876 6.105 ( -2.839 0.000 1.892) 3.412 6.177 ( 0.984 0.000 -2.346) 2.544 6.240 ( 0.798 0.000 -4.002) 4.081 6.389 ( 2.979 0.000 -0.281) 2.993 6.418 ( -0.164 0.000 -2.830) 2.834 6.570 ( 3.024 0.000 1.541) 3.394 6.695 ( -7.290 0.000 22.648) 23.792 6.753 ( 4.182 0.000 3.844) 5.680 6.806 ( 3.637 0.000 2.405) 4.360 6.993 ( -0.070 0.000 -1.198) 1.200 7.048 ( -1.795 0.000 -3.976) 4.363 7.212 ( -2.237 0.000 -1.253) 2.564 7.251 ( -0.714 0.000 -4.715) 4.768 7.273 ( -4.607 0.000 3.159) 5.586 7.357 ( 3.610 0.000 1.560) 3.932 7.383 ( -0.387 0.000 -0.739) 0.835 7.403 ( 2.251 0.000 3.724) 4.352 7.564 ( -0.720 0.000 -1.460) 1.628 7.886 ( -4.463 0.000 -1.867) 4.838 8.014 ( -3.806 0.000 -2.641) 4.632 8.084 ( 6.112 0.000 2.392) 6.564 8.148 ( -0.497 0.000 -0.308) 0.585 8.223 ( -3.669 0.000 1.615) 4.009 8.359 ( 0.156 0.000 3.272) 3.276 8.485 ( -8.159 0.000 2.055) 8.414 8.604 ( -0.240 0.000 -2.714) 2.725 8.719 ( -3.032 0.000 0.832) 3.144 8.743 ( -8.117 0.000 0.978) 8.175 8.864 ( -3.096 0.000 2.733) 4.130 9.841 ( 0.737 0.000 -1.108) 1.331 9.847 ( 1.558 0.000 0.569) 1.658 9.897 ( -0.128 0.000 1.479) 1.484 9.942 ( 10.369 0.000 -11.959) 15.828 9.963 ( -4.944 0.000 6.482) 8.152 10.078 ( 5.503 0.000 -8.294) 9.954 10.154 ( 3.749 0.000 -0.104) 3.751 10.289 ( 1.426 0.000 -12.236) 12.319 10.525 ( -6.562 0.000 2.377) 6.979 10.658 ( 0.487 0.000 -0.289) 0.566 10.849 ( 7.627 0.000 -0.331) 7.635 11.111 ( -3.382 0.000 7.245) 7.995 11.194 ( -0.732 0.000 -1.856) 1.995 11.348 ( -1.847 0.000 0.312) 1.873 11.378 ( 2.628 0.000 2.966) 3.963 11.414 ( -1.149 0.000 -0.322) 1.193 11.449 ( 4.714 0.000 6.900) 8.356 11.498 ( -1.668 0.000 -0.844) 1.869 11.683 ( -0.164 0.000 -0.268) 0.315 11.799 ( -0.506 0.000 -0.624) 0.803 11.990 ( 6.222 0.000 -1.699) 6.450 12.054 ( 0.179 0.000 -4.726) 4.730 12.065 ( -0.286 0.000 -5.173) 5.180 12.257 ( -5.114 0.000 3.551) 6.226 12.269 ( 6.361 0.000 -19.745) 20.744 12.394 ( -2.665 0.000 4.566) 5.287 12.585 ( 12.445 0.000 -14.461) 19.079 12.615 ( 3.534 0.000 -8.999) 9.668 12.792 ( 2.700 0.000 2.584) 3.738 12.879 ( 0.647 0.000 5.824) 5.860 12.965 ( -6.073 0.000 11.986) 13.437 13.280 ( 2.190 0.000 -12.879) 13.064 13.587 ( 1.683 0.000 -1.398) 2.187 13.780 ( -3.371 0.000 0.720) 3.447 13.852 ( -17.883 0.000 21.422) 27.905 13.902 ( 0.629 0.000 -2.010) 2.106 14.100 ( 5.835 0.000 -2.083) 6.196 14.348 ( 3.314 0.000 0.327) 3.330 14.485 ( 0.859 0.000 -2.763) 2.893 14.505 ( -22.808 0.000 43.656) 49.255 15.973 ( -0.555 0.000 0.253) 0.610 16.105 ( -0.540 0.000 1.924) 1.999 16.175 ( 3.380 0.000 -4.596) 5.705 16.189 ( 2.541 0.000 -1.473) 2.936 16.409 ( 0.858 0.000 -0.137) 0.869 16.578 ( -1.018 0.000 -1.299) 1.650 16.595 ( 0.193 0.000 -0.847) 0.869 16.652 ( 0.764 0.000 -0.783) 1.094 17.182 ( 1.361 0.000 -0.665) 1.515 17.325 ( -4.973 0.000 8.350) 9.719 17.430 ( -2.085 0.000 -1.389) 2.505 17.450 ( -3.087 0.000 0.367) 3.109 18.995 ( 5.162 0.000 -0.386) 5.177 19.070 ( 8.000 0.000 -1.681) 8.175 19.201 ( 13.698 0.000 1.750) 13.810 20.049 ( 22.269 0.000 -40.748) 46.436 20.437 ( -1.982 0.000 -0.889) 2.172 20.632 ( -13.455 0.000 21.168) 25.082 20.666 ( -3.265 0.000 -2.588) 4.166 20.923 ( -2.003 0.000 3.109) 3.698 21.960 ( 0.911 0.000 0.973) 1.333 22.184 ( -2.677 0.000 -1.438) 3.039 22.365 ( -1.072 0.000 -0.149) 1.083 22.405 ( 2.206 0.000 2.951) 3.684 22.525 ( -0.208 0.000 -0.234) 0.313 22.562 ( 0.369 0.000 0.172) 0.407 22.777 ( -1.042 0.000 0.468) 1.142 22.893 ( -2.976 0.000 -5.257) 6.041 27.249 ( 0.213 0.000 0.001) 0.213 27.269 ( 3.394 0.000 -7.004) 7.783 27.359 ( 0.608 0.000 0.431) 0.745 27.514 ( -0.735 0.000 0.435) 0.854 28.664 ( 0.104 0.000 -2.221) 2.223 28.698 ( 1.095 0.000 -1.217) 1.637 28.895 ( 0.793 0.000 0.645) 1.022 29.482 ( -5.428 0.000 0.302) 5.436 30.258 ( 0.313 0.000 -0.681) 0.750 30.312 ( 2.093 0.000 0.692) 2.204 30.359 ( 6.989 0.000 -2.662) 7.479 30.677 ( -0.949 0.000 -0.589) 1.117 31.139 ( 0.823 0.000 1.054) 1.338 31.243 ( 17.407 0.000 -27.046) 32.164 31.664 ( -2.547 0.000 2.360) 3.472 31.712 ( -21.307 0.000 38.082) 43.637 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 8.183 0.000 33.299) 34.289 1.154 ( 26.048 0.000 10.196) 27.973 1.843 ( 24.006 0.000 -2.343) 24.120 1.918 ( 3.336 0.000 9.939) 10.484 2.135 ( 21.426 0.000 2.090) 21.527 2.185 ( 7.867 0.000 2.902) 8.385 2.189 ( 8.063 0.000 2.891) 8.565 2.298 ( 16.337 0.000 -2.619) 16.545 2.392 ( 4.613 0.000 -8.383) 9.568 2.553 ( 6.243 0.000 -9.500) 11.368 2.555 ( 11.260 0.000 0.725) 11.283 2.757 ( -6.309 0.000 -1.153) 6.414 2.813 ( 3.149 0.000 6.269) 7.015 2.851 ( 9.648 0.000 4.144) 10.500 2.956 ( -0.746 0.000 0.247) 0.785 2.986 ( 0.819 0.000 2.010) 2.170 3.182 ( 2.264 0.000 1.326) 2.624 3.213 ( -2.190 0.000 2.262) 3.149 3.255 ( 1.086 0.000 0.200) 1.104 3.302 ( -8.856 0.000 -0.069) 8.857 3.406 ( -6.748 0.000 0.529) 6.769 3.520 ( 5.563 0.000 2.253) 6.002 3.595 ( 1.994 0.000 -1.438) 2.459 3.601 ( 5.234 0.000 -8.986) 10.399 3.756 ( -3.298 0.000 6.447) 7.242 3.776 ( 1.434 0.000 1.105) 1.810 3.812 ( -4.198 0.000 -0.857) 4.285 3.916 ( 7.901 0.000 -1.302) 8.007 3.988 ( -1.235 0.000 3.578) 3.785 4.038 ( -3.776 0.000 0.091) 3.777 4.143 ( -4.142 0.000 6.165) 7.427 4.177 ( 3.087 0.000 -1.397) 3.389 4.302 ( 4.280 0.000 -5.185) 6.723 4.515 ( -2.151 0.000 -4.395) 4.893 4.643 ( -2.208 0.000 1.322) 2.574 4.742 ( -1.952 0.000 -4.315) 4.736 4.808 ( 4.869 0.000 0.539) 4.899 4.822 ( -3.868 0.000 -3.238) 5.044 4.936 ( -3.244 0.000 -1.616) 3.624 4.982 ( 0.482 0.000 -0.945) 1.061 5.030 ( 0.237 0.000 -1.738) 1.755 5.109 ( -1.585 0.000 0.350) 1.623 5.120 ( -7.484 0.000 3.201) 8.140 5.178 ( -5.323 0.000 -1.502) 5.531 5.213 ( 1.029 0.000 3.373) 3.526 5.289 ( -1.779 0.000 4.067) 4.439 5.380 ( -6.211 0.000 -4.005) 7.390 5.410 ( -0.750 0.000 0.388) 0.845 5.477 ( -2.519 0.000 3.678) 4.458 5.497 ( -1.817 0.000 -4.669) 5.010 5.536 ( -0.948 0.000 1.873) 2.100 5.720 ( 0.463 0.000 -0.847) 0.965 5.736 ( 1.829 0.000 -1.676) 2.481 5.826 ( -1.448 0.000 -3.261) 3.568 6.029 ( -5.454 0.000 -0.187) 5.457 6.084 ( 1.685 0.000 2.176) 2.752 6.156 ( -0.186 0.000 -2.217) 2.225 6.198 ( -0.471 0.000 -6.202) 6.220 6.413 ( 2.103 0.000 -2.823) 3.520 6.439 ( 2.200 0.000 -0.973) 2.405 6.657 ( 4.616 0.000 0.943) 4.711 6.781 ( -0.422 0.000 9.043) 9.052 6.849 ( 3.271 0.000 0.884) 3.388 6.886 ( 2.852 0.000 2.115) 3.550 6.977 ( -0.860 0.000 -3.568) 3.671 6.992 ( 0.904 0.000 -0.450) 1.009 7.152 ( -5.352 0.000 -2.225) 5.796 7.181 ( -0.459 0.000 -0.631) 0.781 7.243 ( 2.137 0.000 -0.802) 2.282 7.433 ( 4.067 0.000 3.202) 5.176 7.435 ( 3.131 0.000 0.887) 3.254 7.496 ( 3.033 0.000 5.276) 6.086 7.558 ( 0.644 0.000 1.613) 1.737 7.803 ( -2.608 0.000 -3.730) 4.552 7.918 ( -4.140 0.000 -1.118) 4.288 8.099 ( -4.175 0.000 -0.415) 4.196 8.110 ( -7.362 0.000 2.516) 7.780 8.225 ( 2.794 0.000 -0.687) 2.878 8.354 ( -4.099 0.000 1.953) 4.541 8.359 ( -7.420 0.000 3.251) 8.101 8.547 ( -1.012 0.000 -3.885) 4.014 8.604 ( -6.030 0.000 -1.891) 6.319 8.685 ( -3.184 0.000 3.654) 4.847 8.786 ( -7.123 0.000 0.857) 7.174 9.840 ( 1.782 0.000 -3.837) 4.231 9.872 ( -2.473 0.000 0.202) 2.481 9.889 ( -0.079 0.000 3.527) 3.527 9.976 ( 0.677 0.000 3.734) 3.795 10.022 ( 6.594 0.000 -4.996) 8.273 10.086 ( 1.742 0.000 -5.449) 5.721 10.208 ( 2.681 0.000 -1.859) 3.263 10.225 ( 4.163 0.000 -10.987) 11.749 10.461 ( -2.441 0.000 0.274) 2.457 10.707 ( 5.027 0.000 1.524) 5.253 10.904 ( 0.790 0.000 -3.516) 3.603 11.119 ( -1.463 0.000 5.762) 5.945 11.185 ( -0.081 0.000 1.951) 1.953 11.349 ( 0.936 0.000 0.636) 1.132 11.397 ( -2.540 0.000 2.541) 3.593 11.434 ( -3.423 0.000 -1.928) 3.928 11.493 ( 5.126 0.000 2.055) 5.523 11.594 ( 4.295 0.000 5.993) 7.373 11.678 ( -0.015 0.000 -0.053) 0.055 11.783 ( -0.572 0.000 1.064) 1.208 11.955 ( -2.856 0.000 -8.195) 8.679 12.022 ( 0.274 0.000 -1.910) 1.929 12.023 ( -2.165 0.000 -2.405) 3.236 12.180 ( -4.182 0.000 -0.436) 4.205 12.298 ( 8.735 0.000 -8.867) 12.447 12.407 ( 0.142 0.000 7.049) 7.050 12.557 ( 0.165 0.000 -11.801) 11.802 12.679 ( 7.426 0.000 -5.218) 9.076 12.879 ( 3.511 0.000 2.077) 4.080 12.950 ( 0.199 0.000 7.327) 7.329 13.008 ( -3.831 0.000 18.999) 19.381 13.193 ( -2.488 0.000 -4.474) 5.119 13.608 ( 3.211 0.000 -3.555) 4.790 13.714 ( -4.455 0.000 0.804) 4.527 13.723 ( -9.574 0.000 4.942) 10.774 13.880 ( -1.908 0.000 -0.855) 2.091 14.185 ( 0.906 0.000 7.689) 7.742 14.406 ( 7.548 0.000 -10.237) 12.719 14.474 ( 1.835 0.000 -5.001) 5.327 14.484 ( -10.981 0.000 19.373) 22.269 15.967 ( -0.418 0.000 0.473) 0.632 16.119 ( 0.076 0.000 2.036) 2.037 16.195 ( 1.907 0.000 -1.748) 2.587 16.228 ( 2.921 0.000 -1.348) 3.217 16.423 ( 0.750 0.000 -0.345) 0.825 16.548 ( -1.009 0.000 -1.052) 1.458 16.596 ( 0.802 0.000 -0.823) 1.149 16.657 ( 0.511 0.000 -0.562) 0.760 17.205 ( 2.163 0.000 -1.511) 2.639 17.308 ( -4.110 0.000 6.031) 7.298 17.362 ( -3.306 0.000 -1.250) 3.534 17.404 ( -2.624 0.000 0.074) 2.625 19.156 ( 11.807 0.000 0.873) 11.839 19.238 ( 12.302 0.000 -2.390) 12.532 19.481 ( 15.582 0.000 0.336) 15.586 20.100 ( 13.749 0.000 -19.623) 23.960 20.373 ( -3.956 0.000 -1.560) 4.253 20.558 ( -10.105 0.000 9.382) 13.789 20.559 ( -5.755 0.000 -2.982) 6.482 20.898 ( -4.144 0.000 3.406) 5.364 21.996 ( 1.811 0.000 1.756) 2.522 22.115 ( -3.281 0.000 -1.676) 3.685 22.335 ( -2.072 0.000 -0.463) 2.123 22.482 ( 2.601 0.000 4.115) 4.868 22.520 ( -0.075 0.000 -0.066) 0.100 22.571 ( 0.479 0.000 0.167) 0.507 22.755 ( -1.839 0.000 0.156) 1.846 22.774 ( -5.259 0.000 -3.528) 6.333 27.253 ( 0.271 0.000 -0.143) 0.306 27.267 ( 1.132 0.000 -2.531) 2.773 27.379 ( 1.073 0.000 0.627) 1.243 27.501 ( -1.294 0.000 0.578) 1.417 28.646 ( -0.197 0.000 -1.566) 1.579 28.705 ( 0.261 0.000 0.013) 0.261 28.921 ( 1.279 0.000 0.904) 1.566 29.369 ( -6.699 0.000 -0.010) 6.699 30.260 ( 0.692 0.000 -1.000) 1.216 30.365 ( 2.629 0.000 1.119) 2.858 30.478 ( 8.621 0.000 -2.928) 9.105 30.651 ( -1.136 0.000 -0.556) 1.265 31.172 ( 1.354 0.000 1.581) 2.082 31.323 ( 9.804 0.000 -10.268) 14.197 31.631 ( -3.759 0.000 3.112) 4.880 31.663 ( -10.252 0.000 14.169) 17.489 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 5.704 0.000 27.429) 28.015 1.665 ( 21.124 0.000 8.429) 22.744 1.938 ( 1.955 0.000 -8.092) 8.325 2.048 ( 2.783 0.000 5.940) 6.560 2.344 ( 4.482 0.000 6.513) 7.906 2.369 ( 4.677 0.000 9.066) 10.201 2.380 ( 7.647 0.000 -5.367) 9.343 2.531 ( 8.573 0.000 -11.283) 14.171 2.596 ( 12.967 0.000 -5.910) 14.250 2.623 ( -2.785 0.000 -3.411) 4.403 2.675 ( 5.438 0.000 1.683) 5.692 2.847 ( 7.280 0.000 -0.694) 7.313 2.857 ( -5.845 0.000 0.706) 5.887 2.867 ( 15.440 0.000 4.607) 16.112 2.952 ( 3.248 0.000 -0.146) 3.251 3.048 ( 5.401 0.000 -1.468) 5.597 3.169 ( -4.835 0.000 6.124) 7.802 3.227 ( 1.798 0.000 -2.118) 2.779 3.234 ( -4.433 0.000 -3.891) 5.899 3.268 ( 0.544 0.000 5.665) 5.691 3.324 ( 0.239 0.000 2.119) 2.132 3.527 ( -7.470 0.000 -5.831) 9.476 3.562 ( -6.148 0.000 -0.856) 6.208 3.652 ( 4.632 0.000 -1.368) 4.830 3.697 ( 10.481 0.000 -6.049) 12.102 3.752 ( 0.608 0.000 -2.223) 2.304 3.891 ( -1.570 0.000 7.067) 7.239 3.893 ( -1.779 0.000 1.949) 2.639 4.040 ( -12.732 0.000 4.214) 13.411 4.068 ( 2.245 0.000 6.890) 7.247 4.165 ( 9.529 0.000 -0.538) 9.544 4.246 ( 3.947 0.000 -2.385) 4.612 4.331 ( 6.227 0.000 -6.655) 9.114 4.488 ( -0.054 0.000 -3.816) 3.817 4.562 ( -9.030 0.000 3.186) 9.576 4.581 ( -2.788 0.000 -5.763) 6.402 4.780 ( -1.948 0.000 2.390) 3.083 4.794 ( -4.766 0.000 3.333) 5.816 4.880 ( -3.750 0.000 -4.100) 5.556 4.918 ( -7.595 0.000 -2.249) 7.921 5.000 ( -8.542 0.000 -5.452) 10.134 5.039 ( 6.640 0.000 -0.810) 6.690 5.132 ( 1.035 0.000 3.942) 4.076 5.148 ( 2.870 0.000 3.016) 4.164 5.232 ( -0.434 0.000 4.227) 4.249 5.282 ( -2.525 0.000 4.642) 5.284 5.360 ( 3.173 0.000 -0.074) 3.174 5.370 ( -4.947 0.000 -4.013) 6.370 5.375 ( -1.538 0.000 -2.080) 2.587 5.516 ( 3.423 0.000 -2.266) 4.105 5.587 ( 1.899 0.000 1.205) 2.249 5.690 ( -6.297 0.000 0.388) 6.309 5.709 ( 1.518 0.000 -0.237) 1.536 5.815 ( 2.062 0.000 0.576) 2.141 5.934 ( -4.933 0.000 -1.156) 5.067 6.123 ( 0.234 0.000 -0.830) 0.862 6.131 ( -1.381 0.000 -0.612) 1.511 6.146 ( 0.772 0.000 -0.931) 1.209 6.426 ( 1.281 0.000 -1.601) 2.050 6.428 ( -1.314 0.000 -2.781) 3.076 6.722 ( 2.419 0.000 -0.834) 2.559 6.797 ( -2.481 0.000 2.515) 3.532 6.896 ( 2.807 0.000 -0.726) 2.899 6.940 ( 0.861 0.000 2.131) 2.298 6.990 ( 3.696 0.000 -1.863) 4.139 6.999 ( 0.453 0.000 -1.657) 1.718 7.082 ( -1.235 0.000 0.002) 1.235 7.173 ( 0.051 0.000 -0.809) 0.810 7.334 ( 5.431 0.000 3.642) 6.539 7.459 ( -0.169 0.000 -0.050) 0.176 7.569 ( 7.032 0.000 4.189) 8.185 7.587 ( 2.320 0.000 3.596) 4.279 7.617 ( 1.878 0.000 3.943) 4.367 7.706 ( -2.462 0.000 -6.794) 7.226 7.865 ( -3.929 0.000 3.130) 5.024 7.984 ( -6.986 0.000 0.718) 7.023 7.993 ( -5.748 0.000 -2.775) 6.382 8.190 ( -3.161 0.000 -1.329) 3.428 8.280 ( -3.652 0.000 0.014) 3.652 8.293 ( -3.388 0.000 1.025) 3.540 8.511 ( -2.876 0.000 -1.092) 3.076 8.549 ( 3.083 0.000 -1.137) 3.286 8.654 ( -7.073 0.000 -0.021) 7.073 8.661 ( -3.037 0.000 3.159) 4.382 9.835 ( 0.554 0.000 -1.770) 1.855 9.853 ( 1.017 0.000 -1.467) 1.785 9.892 ( -1.345 0.000 0.757) 1.544 9.986 ( -2.675 0.000 1.007) 2.858 10.077 ( 3.231 0.000 -2.316) 3.975 10.094 ( 3.159 0.000 0.105) 3.160 10.221 ( 0.712 0.000 -1.271) 1.457 10.225 ( 3.035 0.000 -5.801) 6.547 10.438 ( 0.363 0.000 -1.580) 1.621 10.843 ( -2.882 0.000 -3.300) 4.381 10.857 ( 8.974 0.000 2.418) 9.294 11.167 ( 1.129 0.000 4.031) 4.187 11.235 ( 1.528 0.000 5.456) 5.666 11.296 ( -7.256 0.000 -0.394) 7.267 11.377 ( -0.160 0.000 0.946) 0.960 11.409 ( 0.766 0.000 -0.347) 0.841 11.495 ( -1.500 0.000 -5.997) 6.181 11.674 ( 0.634 0.000 0.869) 1.076 11.717 ( 1.622 0.000 4.391) 4.681 11.829 ( 2.600 0.000 3.550) 4.400 11.836 ( -3.057 0.000 -4.850) 5.733 11.949 ( -2.407 0.000 -2.942) 3.801 12.024 ( -0.105 0.000 0.084) 0.135 12.143 ( 1.138 0.000 0.124) 1.145 12.333 ( 0.614 0.000 -0.072) 0.618 12.429 ( -3.413 0.000 -8.750) 9.392 12.532 ( 6.404 0.000 3.394) 7.248 12.732 ( 3.196 0.000 -5.148) 6.059 12.939 ( 1.510 0.000 1.701) 2.274 13.001 ( -0.337 0.000 3.800) 3.815 13.138 ( 0.668 0.000 13.054) 13.071 13.142 ( -1.745 0.000 2.328) 2.909 13.609 ( -4.772 0.000 -1.292) 4.944 13.635 ( 0.156 0.000 0.862) 0.876 13.650 ( 1.366 0.000 -6.306) 6.452 13.820 ( -5.101 0.000 1.977) 5.470 14.264 ( -3.390 0.000 14.593) 14.982 14.416 ( 8.189 0.000 -18.858) 20.560 14.463 ( 1.618 0.000 -4.238) 4.536 14.474 ( -5.276 0.000 11.056) 12.250 15.967 ( -0.071 0.000 0.415) 0.421 16.140 ( 0.511 0.000 1.282) 1.380 16.207 ( 0.719 0.000 -0.688) 0.995 16.260 ( 1.611 0.000 -0.768) 1.785 16.429 ( 0.327 0.000 -0.418) 0.531 16.528 ( -0.348 0.000 -0.653) 0.739 16.609 ( 1.010 0.000 -0.197) 1.029 16.661 ( 0.236 0.000 -0.191) 0.304 17.228 ( 2.191 0.000 -2.063) 3.009 17.289 ( -3.185 0.000 4.376) 5.413 17.307 ( -1.896 0.000 -0.472) 1.954 17.361 ( -1.774 0.000 -0.371) 1.812 19.382 ( 10.807 0.000 1.568) 10.920 19.432 ( 10.424 0.000 -1.741) 10.568 19.725 ( 11.315 0.000 -0.969) 11.356 20.185 ( 10.231 0.000 -10.069) 14.355 20.282 ( -2.802 0.000 -3.327) 4.350 20.422 ( -6.419 0.000 -2.059) 6.741 20.446 ( -10.641 0.000 7.195) 12.845 20.845 ( -4.076 0.000 2.090) 4.580 22.050 ( -2.262 0.000 -1.149) 2.538 22.051 ( 2.196 0.000 1.884) 2.894 22.285 ( -2.479 0.000 -1.071) 2.701 22.515 ( -0.206 0.000 0.291) 0.357 22.571 ( 2.880 0.000 3.712) 4.698 22.582 ( 0.620 0.000 0.040) 0.621 22.667 ( -3.716 0.000 -1.684) 4.080 22.714 ( -2.375 0.000 -1.030) 2.589 27.256 ( 0.221 0.000 -0.222) 0.313 27.265 ( 0.294 0.000 -0.797) 0.849 27.405 ( 1.222 0.000 0.480) 1.313 27.480 ( -1.404 0.000 0.357) 1.448 28.631 ( -0.189 0.000 -0.789) 0.811 28.708 ( 0.030 0.000 0.124) 0.128 28.952 ( 1.222 0.000 0.660) 1.389 29.264 ( -4.558 0.000 -0.191) 4.562 30.263 ( 0.455 0.000 -0.683) 0.821 30.415 ( 1.655 0.000 0.902) 1.885 30.590 ( 5.699 0.000 -1.715) 5.951 30.631 ( -0.715 0.000 -0.302) 0.777 31.207 ( 0.976 0.000 1.169) 1.523 31.393 ( 5.147 0.000 -4.314) 6.716 31.594 ( -2.676 0.000 2.066) 3.380 31.611 ( -5.008 0.000 5.358) 7.334 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 -0.000) 0.000 2.424 ( 0.000 0.000 -0.000) 0.000 2.442 ( -0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 -0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.768 ( -0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 -0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.375 ( -0.000 0.000 -0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 -0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 -0.000) 0.000 4.243 ( 0.000 0.000 -0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 -0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 -0.000) 0.000 4.885 ( 0.000 0.000 -0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 -0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.575 ( -0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 -0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 -0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 -0.000) 0.000 6.126 ( -0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 -0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 -0.000) 0.000 6.940 ( -0.000 0.000 -0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 -0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 -0.000) 0.000 7.655 ( -0.000 0.000 0.000) 0.000 7.757 ( -0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 -0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 8.247 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.640 ( -0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 -0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 11.379 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 -0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 -0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 12.961 ( 0.000 0.000 0.000) 0.000 13.013 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.613 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 -0.000) 0.000 13.768 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 -0.000) 0.000 14.393 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 -0.000) 0.000 15.969 ( 0.000 0.000 0.000) 0.000 16.152 ( 0.000 0.000 0.000) 0.000 16.210 ( 0.000 0.000 0.000) 0.000 16.270 ( 0.000 0.000 0.000) 0.000 16.430 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 17.241 ( 0.000 0.000 0.000) 0.000 17.278 ( 0.000 0.000 0.000) 0.000 17.287 ( 0.000 0.000 -0.000) 0.000 17.343 ( 0.000 0.000 0.000) 0.000 19.500 ( 0.000 0.000 0.000) 0.000 19.527 ( 0.000 0.000 0.000) 0.000 19.829 ( 0.000 0.000 0.000) 0.000 20.210 ( 0.000 0.000 0.000) 0.000 20.309 ( -0.000 0.000 0.000) 0.000 20.327 ( 0.000 0.000 -0.000) 0.000 20.342 ( 0.000 0.000 0.000) 0.000 20.813 ( 0.000 0.000 0.000) 0.000 22.024 ( 0.000 0.000 0.000) 0.000 22.086 ( 0.000 0.000 0.000) 0.000 22.250 ( 0.000 0.000 0.000) 0.000 22.514 ( 0.000 0.000 0.000) 0.000 22.592 ( 0.000 0.000 0.000) 0.000 22.621 ( 0.000 0.000 0.000) 0.000 22.643 ( -0.000 0.000 -0.000) 0.000 22.659 ( 0.000 0.000 0.000) 0.000 27.257 ( -0.000 0.000 0.000) 0.000 27.264 ( 0.000 0.000 -0.000) 0.000 27.422 ( 0.000 0.000 0.000) 0.000 27.466 ( 0.000 0.000 0.000) 0.000 28.626 ( 0.000 0.000 0.000) 0.000 28.708 ( 0.000 0.000 0.000) 0.000 28.968 ( 0.000 0.000 0.000) 0.000 29.220 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 30.434 ( 0.000 0.000 0.000) 0.000 30.623 ( 0.000 0.000 0.000) 0.000 30.635 ( 0.000 0.000 0.000) 0.000 31.221 ( 0.000 0.000 0.000) 0.000 31.421 ( 0.000 0.000 -0.000) 0.000 31.579 ( 0.000 0.000 0.000) 0.000 31.589 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 27.567 0.000) 27.567 0.624 ( 0.000 30.646 0.000) 30.646 1.193 ( 0.000 56.553 0.000) 56.553 1.540 ( 0.000 -18.697 0.000) 18.697 1.739 ( 0.000 -21.994 0.000) 21.994 2.092 ( 0.000 1.632 0.000) 1.632 2.105 ( 0.000 5.641 0.000) 5.641 2.152 ( 0.000 0.310 0.000) 0.310 2.225 ( 0.000 -0.957 0.000) 0.957 2.361 ( 0.000 7.833 0.000) 7.833 2.472 ( 0.000 -3.695 0.000) 3.695 2.682 ( 0.000 6.025 0.000) 6.025 2.720 ( 0.000 -0.780 0.000) 0.780 2.769 ( 0.000 10.441 0.000) 10.441 2.902 ( 0.000 -1.115 0.000) 1.115 2.952 ( 0.000 3.013 0.000) 3.013 3.091 ( 0.000 -0.245 0.000) 0.245 3.093 ( 0.000 -8.151 0.000) 8.151 3.195 ( 0.000 3.651 0.000) 3.651 3.272 ( 0.000 3.515 0.000) 3.515 3.349 ( 0.000 -8.435 0.000) 8.435 3.445 ( 0.000 -1.173 0.000) 1.173 3.468 ( 0.000 -10.305 0.000) 10.305 3.638 ( 0.000 3.253 0.000) 3.253 3.696 ( 0.000 -8.414 0.000) 8.414 3.753 ( 0.000 -2.404 0.000) 2.404 3.776 ( 0.000 -9.732 0.000) 9.732 3.943 ( 0.000 8.067 0.000) 8.067 4.003 ( 0.000 -6.472 0.000) 6.472 4.084 ( 0.000 0.219 0.000) 0.219 4.164 ( 0.000 1.265 0.000) 1.265 4.181 ( 0.000 -5.052 0.000) 5.052 4.227 ( 0.000 6.920 0.000) 6.920 4.560 ( 0.000 -4.288 0.000) 4.288 4.632 ( 0.000 -1.662 0.000) 1.662 4.704 ( 0.000 -4.078 0.000) 4.078 4.792 ( 0.000 1.740 0.000) 1.740 4.880 ( 0.000 -1.467 0.000) 1.467 4.949 ( 0.000 -3.353 0.000) 3.353 4.950 ( 0.000 -0.740 0.000) 0.740 5.063 ( 0.000 -0.777 0.000) 0.777 5.086 ( 0.000 -1.976 0.000) 1.976 5.105 ( 0.000 -0.107 0.000) 0.107 5.187 ( 0.000 -3.778 0.000) 3.778 5.387 ( 0.000 6.636 0.000) 6.636 5.411 ( 0.000 8.930 0.000) 8.930 5.492 ( 0.000 7.054 0.000) 7.054 5.533 ( 0.000 3.434 0.000) 3.434 5.614 ( 0.000 -2.396 0.000) 2.396 5.637 ( 0.000 5.849 0.000) 5.849 5.640 ( 0.000 2.082 0.000) 2.082 5.785 ( 0.000 1.090 0.000) 1.090 5.790 ( 0.000 -2.579 0.000) 2.579 5.814 ( 0.000 0.153 0.000) 0.153 5.873 ( 0.000 -3.662 0.000) 3.662 6.070 ( 0.000 -8.613 0.000) 8.613 6.263 ( 0.000 5.878 0.000) 5.878 6.361 ( 0.000 0.605 0.000) 0.605 6.431 ( 0.000 -1.458 0.000) 1.458 6.480 ( 0.000 -2.564 0.000) 2.564 6.573 ( 0.000 1.790 0.000) 1.790 6.594 ( 0.000 0.455 0.000) 0.455 6.725 ( 0.000 3.735 0.000) 3.735 6.912 ( 0.000 -3.612 0.000) 3.612 7.044 ( 0.000 3.344 0.000) 3.344 7.145 ( 0.000 1.651 0.000) 1.651 7.180 ( 0.000 -3.810 0.000) 3.810 7.287 ( 0.000 -3.273 0.000) 3.273 7.295 ( 0.000 1.673 0.000) 1.673 7.378 ( 0.000 -2.158 0.000) 2.158 7.404 ( 0.000 2.614 0.000) 2.614 7.488 ( 0.000 7.826 0.000) 7.826 7.561 ( 0.000 -0.563 0.000) 0.563 7.956 ( 0.000 -9.795 0.000) 9.795 7.998 ( 0.000 4.079 0.000) 4.079 8.098 ( 0.000 3.690 0.000) 3.690 8.191 ( 0.000 -2.199 0.000) 2.199 8.286 ( 0.000 -3.745 0.000) 3.745 8.353 ( 0.000 1.068 0.000) 1.068 8.478 ( 0.000 -4.874 0.000) 4.874 8.739 ( 0.000 7.142 0.000) 7.142 8.778 ( 0.000 2.394 0.000) 2.394 8.835 ( 0.000 -0.834 0.000) 0.834 8.940 ( 0.000 -1.385 0.000) 1.385 9.790 ( 0.000 2.288 0.000) 2.288 9.837 ( 0.000 -0.277 0.000) 0.277 9.852 ( 0.000 0.832 0.000) 0.832 9.896 ( 0.000 1.165 0.000) 1.165 10.024 ( 0.000 -3.496 0.000) 3.496 10.031 ( 0.000 -5.935 0.000) 5.935 10.263 ( 0.000 2.790 0.000) 2.790 10.325 ( 0.000 -1.017 0.000) 1.017 10.653 ( 0.000 1.961 0.000) 1.961 10.663 ( 0.000 0.271 0.000) 0.271 10.679 ( 0.000 1.322 0.000) 1.322 10.687 ( 0.000 1.156 0.000) 1.156 11.187 ( 0.000 -1.624 0.000) 1.624 11.307 ( 0.000 -3.665 0.000) 3.665 11.376 ( 0.000 0.401 0.000) 0.401 11.394 ( 0.000 2.629 0.000) 2.629 11.467 ( 0.000 2.310 0.000) 2.310 11.541 ( 0.000 -1.371 0.000) 1.371 11.669 ( 0.000 -0.226 0.000) 0.226 11.762 ( 0.000 -2.777 0.000) 2.777 11.951 ( 0.000 -0.634 0.000) 0.634 12.008 ( 0.000 -5.031 0.000) 5.031 12.085 ( 0.000 2.166 0.000) 2.166 12.238 ( 0.000 -0.974 0.000) 0.974 12.294 ( 0.000 0.660 0.000) 0.660 12.407 ( 0.000 -0.925 0.000) 0.925 12.551 ( 0.000 8.581 0.000) 8.581 12.769 ( 0.000 0.951 0.000) 0.951 12.834 ( 0.000 -0.854 0.000) 0.854 12.850 ( 0.000 4.298 0.000) 4.298 12.902 ( 0.000 -5.968 0.000) 5.968 13.099 ( 0.000 -5.322 0.000) 5.322 13.466 ( 0.000 2.268 0.000) 2.268 13.609 ( 0.000 -4.583 0.000) 4.583 13.932 ( 0.000 2.729 0.000) 2.729 14.071 ( 0.000 -0.326 0.000) 0.326 14.231 ( 0.000 2.980 0.000) 2.980 14.341 ( 0.000 1.576 0.000) 1.576 14.352 ( 0.000 0.229 0.000) 0.229 14.455 ( 0.000 -3.544 0.000) 3.544 15.990 ( 0.000 1.085 0.000) 1.085 16.008 ( 0.000 0.416 0.000) 0.416 16.172 ( 0.000 0.095 0.000) 0.095 16.188 ( 0.000 -0.454 0.000) 0.454 16.586 ( 0.000 -0.194 0.000) 0.194 16.593 ( 0.000 -0.338 0.000) 0.338 16.610 ( 0.000 0.761 0.000) 0.761 16.641 ( 0.000 -0.599 0.000) 0.599 17.192 ( 0.000 1.795 0.000) 1.795 17.284 ( 0.000 -1.849 0.000) 1.849 17.471 ( 0.000 0.333 0.000) 0.333 17.484 ( 0.000 -0.148 0.000) 0.148 18.980 ( 0.000 0.203 0.000) 0.203 18.997 ( 0.000 -0.524 0.000) 0.524 19.036 ( 0.000 1.696 0.000) 1.696 19.106 ( 0.000 -0.990 0.000) 0.990 20.474 ( 0.000 1.502 0.000) 1.502 20.576 ( 0.000 -2.717 0.000) 2.717 20.961 ( 0.000 3.175 0.000) 3.175 21.087 ( 0.000 -2.056 0.000) 2.056 21.987 ( 0.000 3.691 0.000) 3.691 22.177 ( 0.000 -3.913 0.000) 3.913 22.384 ( 0.000 0.639 0.000) 0.639 22.399 ( 0.000 -0.140 0.000) 0.140 22.584 ( 0.000 2.514 0.000) 2.514 22.731 ( 0.000 -3.863 0.000) 3.863 22.878 ( 0.000 2.185 0.000) 2.185 22.945 ( 0.000 -0.954 0.000) 0.954 27.241 ( 0.000 0.081 0.000) 0.081 27.246 ( 0.000 -0.099 0.000) 0.099 27.493 ( 0.000 0.460 0.000) 0.460 27.515 ( 0.000 -0.407 0.000) 0.407 28.678 ( 0.000 0.185 0.000) 0.185 28.686 ( 0.000 -0.102 0.000) 0.102 29.507 ( 0.000 0.499 0.000) 0.499 29.529 ( 0.000 -0.371 0.000) 0.371 30.266 ( 0.000 0.458 0.000) 0.458 30.286 ( 0.000 -0.290 0.000) 0.290 30.377 ( 0.000 0.179 0.000) 0.179 30.389 ( 0.000 -0.349 0.000) 0.349 30.718 ( 0.000 2.981 0.000) 2.981 30.976 ( 0.000 -9.548 0.000) 9.548 31.587 ( 0.000 14.074 0.000) 14.074 32.081 ( 0.000 -7.697 0.000) 7.697 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 6.286 20.457 23.571) 31.837 0.903 ( 21.827 21.431 4.429) 30.908 1.507 ( 30.148 39.704 3.238) 49.958 1.600 ( 1.339 -16.470 11.211) 19.969 1.802 ( 8.099 -18.807 -2.243) 20.599 2.075 ( -0.162 2.838 -2.566) 3.830 2.140 ( 6.891 2.586 -4.716) 8.741 2.155 ( 8.207 3.064 -4.616) 9.902 2.333 ( 4.624 0.285 4.339) 6.347 2.457 ( 4.764 0.879 1.756) 5.153 2.523 ( 5.225 -0.191 0.892) 5.304 2.693 ( 3.362 3.301 3.155) 5.671 2.732 ( 4.071 9.659 -2.195) 10.709 2.846 ( 0.838 -0.397 -0.691) 1.156 2.952 ( 3.176 5.408 5.367) 8.255 3.063 ( 1.516 -3.248 3.084) 4.729 3.071 ( 5.160 1.793 3.904) 6.714 3.148 ( 0.789 -3.190 -2.905) 4.386 3.216 ( 2.646 0.443 1.692) 3.172 3.253 ( -7.762 -12.895 -0.529) 15.061 3.370 ( 6.343 -1.014 4.461) 7.821 3.435 ( 3.761 -1.645 0.243) 4.112 3.556 ( 2.399 -8.127 -0.269) 8.478 3.612 ( 1.371 -0.570 -1.239) 1.934 3.681 ( -1.339 -2.656 -2.005) 3.587 3.690 ( -5.488 -2.304 0.028) 5.953 3.842 ( 5.424 -6.492 -2.761) 8.899 3.916 ( -2.061 3.870 5.172) 6.780 4.011 ( -2.706 -0.986 0.052) 2.880 4.088 ( 1.702 -0.646 -1.313) 2.245 4.135 ( -2.197 -5.895 1.164) 6.398 4.165 ( -1.673 6.274 0.254) 6.499 4.248 ( 1.807 0.309 -1.662) 2.474 4.571 ( 0.272 -5.081 1.520) 5.310 4.596 ( -3.270 -1.450 -0.319) 3.591 4.661 ( -4.222 -4.726 -1.045) 6.422 4.798 ( 0.068 -1.863 -1.046) 2.137 4.827 ( -0.784 -3.731 -1.537) 4.111 4.864 ( 1.338 2.300 -5.208) 5.848 5.001 ( -3.948 -2.552 -1.301) 4.878 5.068 ( 4.063 -1.457 -0.498) 4.345 5.112 ( -0.771 -3.989 0.797) 4.141 5.154 ( 2.988 1.239 0.298) 3.248 5.210 ( 2.671 -0.712 2.747) 3.897 5.320 ( -3.419 7.248 -1.229) 8.108 5.399 ( -0.020 5.112 -2.987) 5.921 5.486 ( -1.271 7.660 1.299) 7.873 5.513 ( -6.873 4.098 0.653) 8.029 5.565 ( -3.603 1.012 -1.774) 4.142 5.599 ( -2.551 3.985 -0.840) 4.805 5.686 ( -0.103 0.022 1.796) 1.799 5.726 ( -2.436 2.245 -2.277) 4.020 5.769 ( -3.952 2.149 -3.146) 5.489 5.810 ( -0.420 -2.070 2.598) 3.348 5.921 ( 7.174 -3.602 1.050) 8.096 6.085 ( 1.443 -8.219 -0.985) 8.403 6.237 ( -6.020 3.497 -5.871) 9.107 6.243 ( -2.799 0.243 -3.722) 4.663 6.406 ( 3.689 1.273 -2.293) 4.527 6.496 ( 3.231 1.897 -8.268) 9.077 6.590 ( 0.001 2.669 4.169) 4.950 6.681 ( -0.714 -1.015 12.940) 12.999 6.767 ( 2.917 1.469 2.246) 3.963 6.854 ( -2.586 -0.047 0.948) 2.755 7.023 ( -1.727 3.704 -0.843) 4.173 7.061 ( -3.018 2.936 -1.434) 4.448 7.184 ( -2.734 -3.118 2.019) 4.613 7.242 ( -3.339 -2.346 -0.301) 4.092 7.309 ( -0.252 1.147 -0.593) 1.316 7.332 ( -0.506 1.388 -4.634) 4.864 7.377 ( -0.162 0.186 -0.442) 0.506 7.511 ( 1.095 -0.384 -1.778) 2.123 7.553 ( -0.014 6.721 4.636) 8.165 7.920 ( -2.328 -2.529 -2.309) 4.141 7.953 ( -2.632 1.287 2.284) 3.715 8.112 ( -0.263 -1.317 0.257) 1.367 8.138 ( -1.972 -1.515 -1.818) 3.080 8.201 ( -4.184 -2.377 -0.099) 4.813 8.352 ( -0.737 2.237 1.813) 2.972 8.515 ( -0.987 -4.875 -0.845) 5.045 8.609 ( -8.104 7.541 0.690) 11.091 8.734 ( -4.344 0.998 1.062) 4.582 8.833 ( -4.141 3.680 -0.762) 5.592 8.878 ( -4.712 1.742 4.049) 6.453 9.796 ( 0.171 -2.059 2.489) 3.234 9.843 ( 1.737 -0.104 -3.311) 3.740 9.867 ( -0.570 -2.218 -0.394) 2.323 9.915 ( -0.952 -2.367 0.605) 2.622 9.959 ( 3.718 1.115 -0.833) 3.971 10.078 ( 3.232 -2.677 -5.099) 6.604 10.216 ( 4.035 5.345 -5.853) 8.894 10.331 ( 2.263 1.592 -9.087) 9.499 10.550 ( -5.316 2.421 2.875) 6.511 10.644 ( -0.243 -1.436 2.088) 2.546 10.847 ( 7.133 -0.106 -0.267) 7.138 10.923 ( 7.606 -7.094 1.648) 10.531 11.243 ( -2.484 -3.245 2.998) 5.068 11.265 ( -0.354 -1.287 2.436) 2.778 11.350 ( 1.813 0.383 -0.622) 1.955 11.397 ( 3.392 -0.192 3.807) 5.102 11.498 ( 2.109 3.212 -2.877) 4.801 11.610 ( 3.075 -2.093 2.015) 4.230 11.630 ( -2.003 2.082 -1.484) 3.248 11.749 ( -0.284 -3.577 -2.762) 4.528 11.975 ( 2.533 -2.677 -0.595) 3.734 11.999 ( -1.536 -3.837 0.405) 4.153 12.095 ( 2.351 2.463 -1.863) 3.881 12.176 ( -1.920 -0.254 -7.824) 8.060 12.346 ( 0.572 0.940 -10.056) 10.116 12.385 ( 6.862 -4.904 -2.138) 8.701 12.536 ( -1.893 8.938 1.519) 9.261 12.784 ( 1.979 1.924 -3.953) 4.822 12.804 ( 1.871 3.247 -2.038) 4.266 12.890 ( 1.590 1.064 3.975) 4.411 12.914 ( -4.291 -2.648 13.921) 14.806 13.222 ( 4.025 -8.218 0.624) 9.172 13.484 ( -2.783 -0.960 8.728) 9.211 13.649 ( -0.800 -5.979 6.113) 8.588 13.915 ( -0.246 1.597 -4.109) 4.416 13.987 ( -8.419 1.678 -6.828) 10.969 14.150 ( -0.713 5.810 7.124) 9.220 14.348 ( -1.952 -1.078 6.999) 7.346 14.426 ( -1.161 -2.527 5.632) 6.281 14.477 ( 0.854 -1.882 1.783) 2.730 15.984 ( -0.140 1.219 -0.131) 1.234 16.045 ( 1.721 -1.994 1.273) 2.926 16.188 ( 2.028 0.292 -0.786) 2.195 16.202 ( 1.571 0.109 -0.328) 1.608 16.503 ( -3.955 4.442 -1.715) 6.190 16.570 ( -1.187 -0.594 -0.941) 1.627 16.609 ( 0.346 0.957 -1.469) 1.787 16.644 ( 0.835 -0.702 -1.011) 1.487 17.179 ( -0.631 0.665 1.302) 1.592 17.283 ( -3.227 -3.152 4.817) 6.599 17.439 ( -2.459 0.539 -0.870) 2.664 17.451 ( -2.907 -0.010 0.091) 2.908 19.004 ( 5.493 0.865 -0.467) 5.580 19.061 ( 7.658 -1.195 -0.779) 7.790 19.218 ( 15.325 2.170 0.929) 15.506 19.525 ( 29.590 -19.581 -4.999) 35.833 20.451 ( -2.483 1.421 -0.193) 2.868 20.550 ( -2.891 -2.851 0.134) 4.063 20.913 ( -6.816 4.974 0.263) 8.442 20.997 ( -6.164 3.170 1.134) 7.024 21.992 ( 0.288 3.211 0.736) 3.307 22.160 ( -1.527 -3.231 -1.282) 3.796 22.379 ( -0.829 1.099 0.510) 1.468 22.413 ( 0.947 -0.346 1.760) 2.029 22.583 ( -0.314 2.326 0.101) 2.349 22.702 ( -7.610 8.042 -3.819) 11.712 22.726 ( -1.351 -2.299 0.143) 2.670 22.899 ( -3.572 -0.878 -3.831) 5.311 27.248 ( 0.405 -0.115 -0.304) 0.519 27.249 ( 1.230 -0.442 -1.199) 1.774 27.441 ( -2.004 3.584 -2.031) 4.581 27.508 ( -0.846 -0.649 0.228) 1.090 28.667 ( -0.372 0.455 -0.951) 1.118 28.692 ( 0.161 -0.476 0.292) 0.582 29.147 ( -11.028 14.895 -7.508) 19.996 29.455 ( -6.575 -2.763 -1.132) 7.222 30.260 ( 0.277 0.280 -0.730) 0.830 30.287 ( 1.421 -1.224 -0.588) 1.966 30.430 ( 8.807 5.653 -0.142) 10.466 30.704 ( -0.068 2.345 0.242) 2.358 30.891 ( 20.097 -18.954 -1.505) 27.666 31.001 ( 1.643 -11.926 5.223) 13.123 31.602 ( -2.074 11.597 6.250) 13.336 31.968 ( -10.885 0.402 4.344) 11.726 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 7.508 13.159 26.528) 30.550 1.362 ( 23.182 15.352 7.192) 28.719 1.762 ( 3.787 -13.018 12.963) 18.757 1.954 ( 10.146 -8.147 -1.091) 13.058 2.023 ( 12.020 6.460 -0.118) 13.646 2.195 ( 19.031 6.745 3.095) 20.427 2.266 ( 9.930 0.935 -3.878) 10.701 2.359 ( 16.644 6.178 4.981) 18.438 2.412 ( 4.694 2.166 -1.038) 5.273 2.523 ( 4.358 -0.409 -5.590) 7.100 2.640 ( 9.333 4.990 0.233) 10.586 2.781 ( -0.514 -3.304 3.234) 4.652 2.807 ( -1.543 2.976 -3.077) 4.550 2.869 ( 7.098 0.597 0.239) 7.127 2.957 ( -1.242 2.955 -0.395) 3.229 3.030 ( -6.245 -7.218 -1.864) 9.725 3.110 ( -0.476 0.730 1.745) 1.951 3.201 ( 2.481 3.638 1.030) 4.522 3.222 ( 4.355 0.375 1.073) 4.501 3.305 ( 2.247 1.843 2.662) 3.941 3.464 ( -3.005 -3.450 -3.838) 5.972 3.497 ( 3.801 -3.302 -1.134) 5.161 3.539 ( 5.074 -2.660 -1.488) 5.919 3.591 ( -0.887 -3.483 3.575) 5.069 3.675 ( 0.777 -1.434 1.745) 2.389 3.750 ( 3.347 -5.845 -0.342) 6.744 3.850 ( -5.150 1.870 -3.345) 6.419 3.868 ( 1.549 -0.833 -1.757) 2.486 4.027 ( -2.096 1.050 8.751) 9.059 4.078 ( -0.601 1.247 2.551) 2.902 4.130 ( 0.316 0.134 3.238) 3.256 4.198 ( 4.861 2.157 -0.845) 5.384 4.258 ( 3.898 -1.252 -5.011) 6.471 4.507 ( -3.056 -0.472 -2.902) 4.240 4.598 ( -1.980 -5.860 0.901) 6.251 4.612 ( 0.828 -7.946 0.620) 8.013 4.780 ( -0.975 -1.032 -3.604) 3.873 4.813 ( -0.105 -2.743 -3.699) 4.606 4.847 ( 1.432 -0.967 -1.986) 2.633 4.931 ( -2.467 -4.099 1.037) 4.895 5.079 ( -2.247 3.223 0.536) 3.966 5.085 ( -4.246 -0.165 -0.540) 4.283 5.172 ( 0.565 0.859 1.625) 1.923 5.249 ( -5.438 -0.286 0.274) 5.452 5.294 ( 0.934 2.769 -0.843) 3.042 5.337 ( -7.999 6.816 0.609) 10.527 5.395 ( -3.569 3.749 -4.011) 6.548 5.423 ( -1.380 2.924 -0.224) 3.241 5.492 ( 0.590 1.860 1.834) 2.677 5.515 ( -3.318 2.807 -3.273) 5.441 5.634 ( -2.389 4.260 -1.075) 5.000 5.729 ( 0.667 -0.248 0.126) 0.722 5.736 ( 0.992 2.883 -2.690) 4.066 5.831 ( -1.001 -1.423 2.249) 2.843 6.019 ( 0.747 -1.453 1.497) 2.216 6.080 ( -4.771 0.211 -0.018) 4.775 6.084 ( -0.627 -6.147 -1.063) 6.270 6.184 ( -1.272 -1.534 -5.498) 5.848 6.441 ( 1.819 1.839 -4.443) 5.141 6.471 ( 0.081 3.058 -0.107) 3.061 6.662 ( 4.338 0.548 1.422) 4.598 6.755 ( -1.299 -2.172 7.404) 7.825 6.845 ( 3.233 -0.899 2.176) 4.000 6.869 ( 1.304 -1.879 0.369) 2.317 6.973 ( -1.263 2.210 -1.776) 3.104 7.030 ( -0.029 1.709 -2.446) 2.984 7.108 ( -3.976 -1.248 -1.523) 4.437 7.212 ( 1.155 -2.736 0.570) 3.024 7.278 ( -0.466 5.958 -0.462) 5.994 7.350 ( 1.905 -3.094 2.236) 4.266 7.409 ( 3.176 -2.334 -0.436) 3.965 7.511 ( 1.178 -4.179 0.453) 4.365 7.635 ( 2.360 8.661 5.240) 10.394 7.828 ( -3.548 0.500 -4.773) 5.968 7.940 ( -1.532 3.262 1.619) 3.951 8.074 ( -4.817 -1.923 -0.065) 5.187 8.093 ( -5.305 -2.144 2.687) 6.322 8.175 ( 1.469 -4.639 -0.520) 4.894 8.321 ( -3.272 0.912 0.423) 3.423 8.426 ( -6.025 -1.860 -1.912) 6.589 8.502 ( -5.261 3.760 1.704) 6.687 8.662 ( -5.824 -1.947 2.570) 6.657 8.729 ( -4.543 7.052 -1.851) 8.590 8.820 ( -5.190 2.286 1.850) 5.965 9.817 ( -1.308 -3.279 0.718) 3.603 9.838 ( -1.583 -3.574 5.018) 6.361 9.851 ( 2.305 0.078 -3.595) 4.272 9.936 ( 1.753 -3.207 -0.986) 3.785 10.030 ( 4.967 0.919 -2.478) 5.626 10.072 ( 2.165 -0.787 -5.511) 5.973 10.247 ( 2.791 3.056 -3.266) 5.272 10.286 ( 1.405 2.937 -7.824) 8.474 10.516 ( -0.510 5.313 -0.172) 5.340 10.697 ( 4.485 -1.361 2.402) 5.266 10.900 ( 1.098 -0.604 -3.494) 3.712 10.979 ( 0.679 -7.648 1.267) 7.782 11.196 ( -2.194 0.894 3.096) 3.899 11.296 ( -0.071 -4.357 1.593) 4.640 11.394 ( 0.078 0.097 -1.507) 1.512 11.503 ( 1.905 4.098 -0.399) 4.536 11.547 ( 4.276 1.164 1.850) 4.802 11.612 ( 1.151 0.292 3.149) 3.365 11.652 ( 0.134 -0.201 0.751) 0.789 11.732 ( 1.012 -2.423 2.327) 3.509 11.952 ( -3.073 -1.296 -1.437) 3.631 11.998 ( -0.633 -3.578 1.200) 3.826 12.044 ( -1.818 2.784 -6.469) 7.274 12.157 ( 1.615 0.147 -0.607) 1.732 12.277 ( 2.758 -1.227 -10.729) 11.146 12.431 ( 1.491 -6.858 -5.425) 8.871 12.539 ( 0.549 9.697 3.704) 10.395 12.779 ( 3.821 3.319 -5.225) 7.274 12.865 ( 2.803 -0.303 1.829) 3.361 12.941 ( -0.177 -1.884 6.407) 6.681 13.018 ( 0.104 3.115 14.646) 14.973 13.231 ( -1.544 0.504 -0.374) 1.666 13.511 ( -1.688 -4.355 5.850) 7.486 13.648 ( -3.002 -4.760 2.066) 5.995 13.790 ( -7.261 2.640 -2.621) 8.159 13.862 ( -2.540 -1.508 -4.046) 5.010 14.220 ( -1.065 3.131 10.182) 10.705 14.392 ( -3.756 -3.843 12.510) 13.616 14.436 ( 5.422 0.453 -10.469) 11.798 14.492 ( 1.464 -0.363 -3.071) 3.422 15.983 ( -0.022 1.640 0.317) 1.671 16.079 ( 0.870 -2.660 1.333) 3.100 16.218 ( 1.597 1.074 -0.475) 1.982 16.233 ( 2.209 0.351 -0.377) 2.269 16.457 ( -0.449 2.833 -1.019) 3.044 16.540 ( -0.847 -0.833 -1.102) 1.621 16.605 ( 0.550 0.905 -0.911) 1.397 16.648 ( 0.548 -0.827 -0.729) 1.231 17.191 ( 0.992 -0.640 0.192) 1.196 17.263 ( -3.335 -3.351 4.486) 6.517 17.379 ( -3.077 1.021 -0.525) 3.284 17.402 ( -2.711 -0.209 -0.064) 2.720 19.168 ( 11.993 1.204 0.475) 12.062 19.232 ( 12.124 -0.857 -1.464) 12.242 19.513 ( 16.550 3.491 -0.738) 16.930 19.869 ( 17.886 -14.825 -9.193) 24.984 20.383 ( -4.666 1.189 -0.536) 4.845 20.476 ( -5.580 -2.912 0.242) 6.299 20.758 ( -9.309 8.966 0.511) 12.935 20.922 ( -5.245 0.911 2.252) 5.780 22.010 ( 0.739 1.574 1.026) 2.019 22.105 ( -2.629 -1.520 -1.773) 3.517 22.363 ( -1.480 2.474 0.491) 2.924 22.462 ( 1.828 -1.833 2.997) 3.960 22.564 ( -1.444 3.017 -0.666) 3.410 22.614 ( -1.015 4.128 -0.367) 4.267 22.698 ( -1.998 -3.078 -0.558) 3.712 22.787 ( -4.731 -0.890 -2.524) 5.436 27.252 ( 0.366 -0.034 -0.243) 0.441 27.258 ( 0.931 -0.482 -1.183) 1.581 27.414 ( -0.233 2.626 -0.193) 2.644 27.491 ( -1.294 -0.959 0.389) 1.657 28.652 ( -0.324 0.717 -0.922) 1.212 28.695 ( -0.060 -0.880 0.270) 0.922 29.019 ( -1.921 8.259 -1.334) 8.584 29.323 ( -6.552 -4.567 -0.953) 8.043 30.262 ( 0.654 0.285 -0.970) 1.204 30.314 ( 1.968 -2.745 -0.458) 3.408 30.598 ( 9.535 9.348 -0.774) 13.375 30.695 ( -0.591 4.398 0.142) 4.440 31.006 ( 2.446 -10.581 -0.648) 10.880 31.176 ( 9.145 -16.788 0.132) 19.117 31.607 ( -3.261 9.137 5.350) 11.079 31.834 ( -8.028 3.252 3.679) 9.410 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 6.386 8.828 22.162) 24.696 1.801 ( 16.237 8.026 5.673) 18.980 1.954 ( 8.258 -4.816 9.111) 13.206 2.043 ( 0.658 6.785 -1.148) 6.913 2.196 ( 8.319 -8.731 2.548) 12.326 2.338 ( 4.358 -1.740 -6.454) 7.979 2.408 ( 4.828 -0.071 1.917) 5.196 2.514 ( 2.665 -1.303 -4.656) 5.521 2.615 ( 8.782 -0.550 4.646) 9.951 2.654 ( -5.403 -2.142 -0.876) 5.878 2.673 ( 0.365 3.588 -2.911) 4.635 2.772 ( 2.056 -1.711 -0.001) 2.675 2.890 ( 3.413 -6.217 1.519) 7.253 2.933 ( 8.444 2.750 1.199) 8.961 2.943 ( 8.579 2.913 -0.796) 9.095 3.049 ( 6.348 3.949 -0.917) 7.532 3.130 ( -1.156 1.909 -0.167) 2.238 3.223 ( 0.544 0.877 -0.338) 1.086 3.237 ( -0.682 2.202 -5.231) 5.716 3.305 ( -1.680 0.809 0.694) 1.989 3.407 ( 1.487 3.641 -0.007) 3.933 3.557 ( -3.621 -0.070 -1.820) 4.053 3.579 ( 4.720 -3.287 0.178) 5.754 3.624 ( -1.254 -0.998 0.052) 1.604 3.715 ( 5.949 2.273 -2.450) 6.824 3.741 ( 4.241 -4.886 -2.059) 6.790 3.765 ( -1.108 1.959 3.113) 3.841 3.922 ( -1.872 -2.826 5.141) 6.158 3.997 ( -8.263 -1.298 2.290) 8.672 4.089 ( -5.733 -1.819 4.935) 7.780 4.176 ( 5.802 2.996 -1.287) 6.656 4.281 ( 2.364 0.538 -2.555) 3.522 4.330 ( 8.940 2.092 -4.308) 10.142 4.466 ( -0.373 -0.845 -1.440) 1.711 4.551 ( 1.006 -3.412 -3.531) 5.012 4.593 ( -5.922 -2.344 1.960) 6.664 4.728 ( -4.274 -0.824 1.461) 4.591 4.778 ( 0.734 0.308 0.178) 0.816 4.815 ( -3.145 -3.692 -3.413) 5.930 4.935 ( -4.632 0.153 -0.959) 4.733 5.011 ( 5.085 -1.829 0.436) 5.421 5.021 ( -4.209 2.366 -1.387) 5.024 5.151 ( -3.147 -1.830 2.151) 4.228 5.194 ( -1.791 -3.124 5.177) 6.307 5.230 ( -3.597 3.841 3.393) 6.262 5.307 ( -2.813 -0.595 -2.122) 3.574 5.316 ( 1.581 5.647 -2.688) 6.451 5.391 ( -2.091 3.142 -1.597) 4.098 5.455 ( -0.868 3.817 -2.937) 4.894 5.533 ( 0.933 -1.414 -4.239) 4.565 5.614 ( 1.644 5.861 0.565) 6.113 5.733 ( -2.751 1.127 2.812) 4.092 5.767 ( 4.420 4.764 0.416) 6.512 5.816 ( -0.407 -0.295 1.331) 1.423 5.952 ( -3.900 2.063 -1.845) 4.782 6.061 ( -1.080 -6.487 -0.153) 6.578 6.081 ( -1.405 -4.168 2.789) 5.209 6.113 ( -1.195 -1.750 -3.450) 4.049 6.423 ( -0.017 -0.133 -1.708) 1.713 6.461 ( -1.101 1.963 -1.522) 2.717 6.729 ( 2.911 0.362 -1.789) 3.435 6.768 ( -2.292 -1.995 3.178) 4.397 6.887 ( 2.250 -0.796 -0.296) 2.405 6.908 ( 1.592 -2.570 1.333) 3.304 6.970 ( 0.957 -0.492 -0.592) 1.228 7.002 ( 0.483 -1.720 -2.238) 2.863 7.063 ( -0.433 2.037 -1.764) 2.729 7.261 ( 1.935 -1.724 -2.317) 3.476 7.296 ( 1.026 3.670 5.202) 6.449 7.410 ( 2.520 -2.921 1.969) 4.332 7.485 ( 5.030 -2.318 2.331) 6.009 7.558 ( 0.647 -4.817 4.410) 6.563 7.685 ( -0.384 2.491 -2.260) 3.386 7.731 ( -1.689 1.334 -1.978) 2.923 7.931 ( -2.225 4.637 0.325) 5.153 7.976 ( -3.648 2.042 0.976) 4.293 8.006 ( -5.940 0.104 0.205) 5.944 8.164 ( -2.017 -2.343 -0.068) 3.093 8.274 ( -1.567 -0.097 -0.540) 1.660 8.317 ( -3.834 0.261 -1.276) 4.049 8.455 ( -1.648 -0.554 1.015) 2.013 8.568 ( -6.275 -3.825 1.277) 7.459 8.665 ( -1.053 6.652 -0.858) 6.789 8.749 ( -3.916 3.445 1.419) 5.405 9.808 ( -0.068 -1.756 0.904) 1.976 9.854 ( 0.052 -2.024 0.341) 2.053 9.859 ( 0.741 -0.791 -0.686) 1.283 9.934 ( -0.777 -3.801 -1.199) 4.060 10.080 ( 2.283 0.041 -1.575) 2.774 10.089 ( 3.383 0.173 -0.935) 3.514 10.244 ( 0.642 1.466 -5.131) 5.375 10.247 ( -0.357 1.287 -1.077) 1.716 10.517 ( 1.609 7.222 -2.338) 7.759 10.830 ( 6.944 -3.832 1.339) 8.043 10.848 ( -1.887 0.746 -2.619) 3.313 11.027 ( 1.724 -8.958 3.584) 9.801 11.214 ( 0.490 0.531 2.700) 2.795 11.297 ( -0.708 -4.455 -0.112) 4.512 11.325 ( -4.180 2.193 -2.063) 5.152 11.476 ( -1.691 -1.729 -3.480) 4.238 11.572 ( 0.514 6.264 -0.600) 6.313 11.659 ( 1.399 -1.425 0.732) 2.127 11.706 ( 0.197 0.922 4.403) 4.503 11.827 ( 3.883 1.448 5.067) 6.545 11.865 ( -3.566 1.417 -2.095) 4.372 11.992 ( -0.524 1.176 1.212) 1.768 12.020 ( 1.235 -1.944 0.110) 2.306 12.131 ( -1.224 4.029 -2.938) 5.135 12.250 ( 1.798 -8.651 -7.175) 11.382 12.378 ( -1.852 -2.692 -2.520) 4.126 12.614 ( 3.663 6.929 2.807) 8.325 12.815 ( 3.758 4.202 -4.066) 6.951 12.919 ( 1.686 -0.804 1.324) 2.289 12.981 ( -0.254 -2.007 2.686) 3.363 13.151 ( 1.582 2.249 10.329) 10.689 13.205 ( -2.460 4.229 4.072) 6.365 13.521 ( -1.891 -4.713 2.830) 5.813 13.610 ( -0.235 -4.158 -2.297) 4.756 13.675 ( -2.669 1.531 -2.712) 4.102 13.770 ( -4.774 -3.750 -1.435) 6.238 14.285 ( -3.514 1.938 13.217) 13.813 14.415 ( -2.814 -2.771 5.699) 6.934 14.444 ( 5.815 0.915 -10.122) 11.709 14.480 ( 2.420 0.326 -6.796) 7.221 15.988 ( 0.116 2.007 0.342) 2.039 16.102 ( 0.630 -2.886 0.801) 3.060 16.234 ( 0.590 1.689 -0.069) 1.791 16.264 ( 1.350 0.207 -0.230) 1.385 16.450 ( 0.223 2.020 -0.572) 2.111 16.524 ( -0.134 -0.635 -0.675) 0.936 16.612 ( 0.720 0.468 -0.276) 0.902 16.651 ( 0.276 -0.874 -0.276) 0.957 17.210 ( 1.133 -1.136 -0.629) 1.723 17.251 ( -1.749 -2.650 2.958) 4.340 17.329 ( -2.206 1.147 -0.001) 2.486 17.357 ( -1.869 -0.386 -0.371) 1.945 19.393 ( 10.892 0.975 1.153) 10.996 19.432 ( 10.332 -0.231 -0.963) 10.380 19.759 ( 11.759 3.528 -1.892) 12.422 20.047 ( 10.875 -9.695 -6.966) 16.149 20.286 ( -4.886 0.684 -0.974) 5.029 20.364 ( -7.191 -2.658 0.971) 7.727 20.613 ( -7.219 9.762 0.863) 12.172 20.847 ( -4.584 -0.755 1.469) 4.873 22.022 ( -0.582 -0.526 -0.067) 0.788 22.062 ( -0.313 -0.690 -0.197) 0.783 22.337 ( -1.545 4.535 0.020) 4.791 22.513 ( 0.687 -2.222 1.697) 2.879 22.548 ( 0.434 0.965 0.469) 1.157 22.611 ( -0.014 0.877 0.389) 0.960 22.649 ( -2.070 -0.827 -0.622) 2.314 22.706 ( -2.762 -1.045 -1.310) 3.231 27.256 ( 0.264 0.038 -0.236) 0.356 27.262 ( 0.335 -0.236 -0.526) 0.667 27.419 ( 0.523 1.235 0.284) 1.370 27.471 ( -1.218 -0.870 0.281) 1.523 28.641 ( -0.207 0.931 -0.517) 1.085 28.695 ( -0.106 -1.155 0.170) 1.172 29.002 ( 0.045 4.647 -0.006) 4.647 29.221 ( -3.943 -4.087 -0.478) 5.699 30.265 ( 0.425 0.312 -0.646) 0.834 30.342 ( 1.265 -4.134 -0.165) 4.326 30.680 ( 0.139 5.073 -0.669) 5.119 30.741 ( 5.359 11.376 0.220) 12.577 31.034 ( 0.960 -11.287 0.186) 11.330 31.298 ( 4.967 -14.019 -0.350) 14.877 31.588 ( -2.568 8.678 2.559) 9.405 31.749 ( -4.194 3.361 1.702) 5.638 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 6.618 0.000) 6.618 1.912 ( 0.000 2.331 -0.000) 2.331 2.036 ( 0.000 5.616 0.000) 5.616 2.218 ( 0.000 7.873 0.000) 7.873 2.276 ( -0.000 -5.969 -0.000) 5.969 2.320 ( 0.000 -8.084 0.000) 8.084 2.467 ( 0.000 2.082 0.000) 2.082 2.479 ( -0.000 -7.017 -0.000) 7.017 2.517 ( 0.000 -3.491 -0.000) 3.491 2.606 ( -0.000 1.819 0.000) 1.819 2.810 ( 0.000 -1.250 -0.000) 1.250 2.837 ( 0.000 -0.325 0.000) 0.325 2.901 ( 0.000 -5.383 0.000) 5.383 2.973 ( 0.000 4.635 0.000) 4.635 3.049 ( -0.000 3.844 -0.000) 3.844 3.060 ( 0.000 -4.136 0.000) 4.136 3.153 ( 0.000 -0.398 -0.000) 0.398 3.161 ( 0.000 1.106 0.000) 1.106 3.269 ( 0.000 2.819 0.000) 2.819 3.310 ( 0.000 -0.385 0.000) 0.385 3.425 ( 0.000 5.585 0.000) 5.585 3.574 ( -0.000 6.226 -0.000) 6.226 3.584 ( 0.000 4.061 0.000) 4.061 3.673 ( 0.000 -3.675 0.000) 3.675 3.716 ( 0.000 -1.022 0.000) 1.022 3.757 ( 0.000 4.703 0.000) 4.703 3.822 ( 0.000 -6.073 0.000) 6.073 3.902 ( 0.000 -0.623 0.000) 0.623 3.914 ( 0.000 -0.317 0.000) 0.317 4.022 ( 0.000 -7.141 -0.000) 7.141 4.232 ( 0.000 0.970 -0.000) 0.970 4.277 ( 0.000 0.987 0.000) 0.987 4.414 ( -0.000 0.912 0.000) 0.912 4.424 ( 0.000 1.852 -0.000) 1.852 4.514 ( 0.000 1.486 0.000) 1.486 4.599 ( 0.000 -4.159 0.000) 4.159 4.670 ( 0.000 -1.591 0.000) 1.591 4.745 ( 0.000 -2.665 0.000) 2.665 4.815 ( 0.000 2.407 -0.000) 2.407 4.901 ( 0.000 4.626 0.000) 4.626 4.940 ( 0.000 3.589 -0.000) 3.589 5.104 ( 0.000 0.608 0.000) 0.608 5.134 ( 0.000 -6.891 0.000) 6.891 5.186 ( 0.000 -3.338 -0.000) 3.338 5.233 ( 0.000 -1.890 0.000) 1.890 5.253 ( 0.000 -1.782 0.000) 1.782 5.339 ( 0.000 10.279 0.000) 10.279 5.373 ( 0.000 -1.104 0.000) 1.104 5.410 ( 0.000 5.883 -0.000) 5.883 5.510 ( 0.000 -5.299 0.000) 5.299 5.637 ( 0.000 4.121 0.000) 4.121 5.701 ( 0.000 6.470 0.000) 6.470 5.828 ( 0.000 1.967 0.000) 1.967 5.868 ( -0.000 4.730 -0.000) 4.730 5.875 ( 0.000 2.268 0.000) 2.268 6.046 ( -0.000 -8.158 0.000) 8.158 6.066 ( 0.000 -3.883 -0.000) 3.883 6.097 ( 0.000 -3.664 0.000) 3.664 6.414 ( 0.000 -1.334 0.000) 1.334 6.434 ( 0.000 2.126 0.000) 2.126 6.744 ( -0.000 0.793 0.000) 0.793 6.756 ( 0.000 -2.111 -0.000) 2.111 6.927 ( 0.000 -1.247 0.000) 1.247 6.928 ( -0.000 -1.715 -0.000) 1.715 6.961 ( 0.000 -0.892 0.000) 0.892 7.011 ( 0.000 -3.147 0.000) 3.147 7.047 ( 0.000 2.542 0.000) 2.542 7.259 ( 0.000 0.102 0.000) 0.102 7.336 ( 0.000 -0.632 0.000) 0.632 7.464 ( 0.000 -0.651 -0.000) 0.651 7.555 ( 0.000 -5.246 -0.000) 5.246 7.599 ( -0.000 2.188 -0.000) 2.188 7.630 ( 0.000 -3.161 0.000) 3.161 7.720 ( 0.000 -3.433 0.000) 3.433 7.895 ( 0.000 5.625 0.000) 5.625 7.930 ( 0.000 1.052 0.000) 1.052 7.968 ( 0.000 5.814 0.000) 5.814 8.139 ( 0.000 -1.241 0.000) 1.241 8.265 ( 0.000 0.363 0.000) 0.363 8.272 ( 0.000 1.580 0.000) 1.580 8.452 ( 0.000 -1.621 0.000) 1.621 8.501 ( 0.000 -4.260 0.000) 4.260 8.661 ( 0.000 5.356 0.000) 5.356 8.717 ( 0.000 3.718 0.000) 3.718 9.815 ( 0.000 -1.026 0.000) 1.026 9.854 ( 0.000 -2.257 -0.000) 2.257 9.864 ( 0.000 0.126 -0.000) 0.126 9.913 ( 0.000 -3.127 0.000) 3.127 10.095 ( 0.000 0.106 0.000) 0.106 10.127 ( 0.000 -0.948 -0.000) 0.948 10.221 ( 0.000 0.454 0.000) 0.454 10.235 ( 0.000 0.788 0.000) 0.788 10.522 ( 0.000 7.555 0.000) 7.555 10.808 ( 0.000 0.850 0.000) 0.850 10.924 ( 0.000 -6.145 0.000) 6.145 11.067 ( 0.000 -9.950 0.000) 9.950 11.226 ( 0.000 3.348 0.000) 3.348 11.268 ( 0.000 1.864 0.000) 1.864 11.286 ( 0.000 -4.127 0.000) 4.127 11.440 ( 0.000 -1.871 0.000) 1.871 11.573 ( 0.000 5.525 -0.000) 5.525 11.688 ( 0.000 -3.928 0.000) 3.928 11.707 ( 0.000 4.295 -0.000) 4.295 11.819 ( 0.000 1.809 0.000) 1.809 11.898 ( 0.000 2.743 0.000) 2.743 11.996 ( 0.000 -1.270 -0.000) 1.270 12.035 ( 0.000 8.890 0.000) 8.890 12.114 ( 0.000 -5.418 -0.000) 5.418 12.214 ( 0.000 -8.018 0.000) 8.018 12.351 ( 0.000 -1.267 0.000) 1.267 12.672 ( 0.000 5.096 0.000) 5.096 12.823 ( 0.000 6.294 0.000) 6.294 12.945 ( 0.000 -0.841 0.000) 0.841 12.985 ( 0.000 -3.061 0.000) 3.061 13.208 ( 0.000 4.736 0.000) 4.736 13.220 ( 0.000 1.774 0.000) 1.774 13.509 ( 0.000 -3.227 0.000) 3.227 13.594 ( 0.000 -2.719 0.000) 2.719 13.662 ( 0.000 -0.705 -0.000) 0.705 13.696 ( 0.000 -5.184 0.000) 5.184 14.318 ( 0.000 1.186 -0.000) 1.186 14.410 ( 0.000 -0.079 0.000) 0.079 14.454 ( 0.000 -1.001 -0.000) 1.001 14.467 ( -0.000 0.568 0.000) 0.568 15.991 ( 0.000 2.126 0.000) 2.126 16.112 ( 0.000 -3.027 0.000) 3.027 16.239 ( 0.000 1.864 0.000) 1.864 16.275 ( 0.000 0.206 0.000) 0.206 16.451 ( 0.000 1.941 0.000) 1.941 16.520 ( 0.000 -0.472 0.000) 0.472 16.619 ( 0.000 0.199 0.000) 0.199 16.653 ( 0.000 -0.865 0.000) 0.865 17.217 ( 0.000 -1.295 0.000) 1.295 17.250 ( 0.000 -2.276 0.000) 2.276 17.307 ( 0.000 1.150 0.000) 1.150 17.338 ( 0.000 -0.468 0.000) 0.468 19.509 ( 0.000 0.814 0.000) 0.814 19.530 ( 0.000 0.097 0.000) 0.097 19.864 ( 0.000 3.485 0.000) 3.485 20.118 ( 0.000 -8.020 0.000) 8.020 20.235 ( 0.000 -0.703 0.000) 0.703 20.282 ( 0.000 -2.196 -0.000) 2.196 20.545 ( 0.000 10.472 0.000) 10.472 20.808 ( 0.000 -1.368 0.000) 1.368 22.009 ( 0.000 -0.432 0.000) 0.432 22.067 ( 0.000 -1.795 0.000) 1.795 22.321 ( 0.000 5.845 0.000) 5.845 22.519 ( 0.000 -0.379 0.000) 0.379 22.567 ( 0.000 -1.767 0.000) 1.767 22.604 ( 0.000 -1.372 -0.000) 1.372 22.651 ( -0.000 0.404 -0.000) 0.404 22.657 ( 0.000 -0.102 0.000) 0.102 27.257 ( -0.000 0.062 0.000) 0.062 27.262 ( 0.000 -0.134 -0.000) 0.134 27.428 ( 0.000 0.577 0.000) 0.577 27.459 ( 0.000 -0.617 0.000) 0.617 28.637 ( 0.000 1.013 0.000) 1.013 28.695 ( 0.000 -1.252 0.000) 1.252 29.005 ( 0.000 3.508 0.000) 3.508 29.182 ( 0.000 -3.527 0.000) 3.527 30.265 ( 0.000 0.326 0.000) 0.326 30.353 ( 0.000 -4.685 0.000) 4.685 30.676 ( 0.000 5.233 0.000) 5.233 30.792 ( 0.000 12.004 0.000) 12.004 31.043 ( 0.000 -11.644 0.000) 11.644 31.343 ( 0.000 -13.591 0.000) 13.591 31.574 ( 0.000 9.062 0.000) 9.062 31.719 ( 0.000 3.225 0.000) 3.225 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 -24.885 0.000) 24.885 1.094 ( 0.000 24.885 0.000) 24.885 1.220 ( 0.000 -28.289 0.000) 28.289 1.220 ( 0.000 28.289 0.000) 28.289 2.111 ( 0.000 -11.025 0.000) 11.025 2.111 ( 0.000 11.025 0.000) 11.025 2.165 ( 0.000 -8.738 0.000) 8.738 2.165 ( 0.000 8.738 0.000) 8.738 2.226 ( 0.000 -15.156 0.000) 15.156 2.226 ( 0.000 15.156 0.000) 15.156 2.552 ( 0.000 -13.112 0.000) 13.112 2.552 ( 0.000 13.112 0.000) 13.112 2.794 ( 0.000 -5.183 0.000) 5.183 2.794 ( 0.000 5.183 0.000) 5.183 2.922 ( 0.000 -3.650 0.000) 3.650 2.922 ( 0.000 3.650 0.000) 3.650 3.135 ( 0.000 -9.605 0.000) 9.605 3.135 ( 0.000 9.605 0.000) 9.605 3.166 ( 0.000 -9.956 0.000) 9.956 3.166 ( 0.000 9.956 0.000) 9.956 3.293 ( 0.000 -3.781 0.000) 3.781 3.293 ( 0.000 3.781 0.000) 3.781 3.537 ( 0.000 -9.830 0.000) 9.830 3.537 ( 0.000 9.830 0.000) 9.830 3.689 ( 0.000 -1.380 0.000) 1.380 3.689 ( 0.000 1.380 0.000) 1.380 3.833 ( 0.000 -8.465 0.000) 8.465 3.833 ( 0.000 8.465 0.000) 8.465 4.071 ( 0.000 -3.169 0.000) 3.169 4.071 ( 0.000 3.169 0.000) 3.169 4.117 ( 0.000 -0.295 0.000) 0.295 4.117 ( 0.000 0.295 0.000) 0.295 4.423 ( 0.000 -7.852 0.000) 7.852 4.423 ( 0.000 7.852 0.000) 7.852 4.633 ( 0.000 -2.592 0.000) 2.592 4.633 ( 0.000 2.592 0.000) 2.592 4.853 ( 0.000 -4.098 0.000) 4.098 4.853 ( 0.000 4.098 0.000) 4.098 4.912 ( 0.000 -2.195 0.000) 2.195 4.912 ( 0.000 2.195 0.000) 2.195 5.051 ( 0.000 -0.669 0.000) 0.669 5.051 ( 0.000 0.669 0.000) 0.669 5.133 ( 0.000 -1.828 0.000) 1.828 5.133 ( 0.000 1.828 0.000) 1.828 5.489 ( 0.000 -2.263 0.000) 2.263 5.489 ( 0.000 2.263 0.000) 2.263 5.548 ( 0.000 -2.961 0.000) 2.961 5.548 ( 0.000 2.961 0.000) 2.961 5.681 ( 0.000 -7.142 0.000) 7.142 5.681 ( 0.000 7.142 0.000) 7.142 5.734 ( 0.000 -3.796 0.000) 3.796 5.734 ( 0.000 3.796 0.000) 3.796 5.804 ( 0.000 -2.186 0.000) 2.186 5.804 ( 0.000 2.186 0.000) 2.186 5.870 ( 0.000 -8.401 0.000) 8.401 5.870 ( 0.000 8.401 0.000) 8.401 6.385 ( 0.000 -1.741 0.000) 1.741 6.385 ( 0.000 1.741 0.000) 1.741 6.398 ( 0.000 -2.228 0.000) 2.228 6.398 ( 0.000 2.228 0.000) 2.228 6.595 ( 0.000 -0.479 0.000) 0.479 6.595 ( 0.000 0.479 0.000) 0.479 6.821 ( 0.000 -5.038 0.000) 5.038 6.821 ( 0.000 5.038 0.000) 5.038 7.132 ( 0.000 -2.045 0.000) 2.045 7.132 ( 0.000 2.045 0.000) 2.045 7.182 ( 0.000 -5.220 0.000) 5.220 7.182 ( 0.000 5.220 0.000) 5.220 7.338 ( 0.000 -2.087 0.000) 2.087 7.338 ( 0.000 2.087 0.000) 2.087 7.474 ( 0.000 -3.819 0.000) 3.819 7.474 ( 0.000 3.819 0.000) 3.819 7.732 ( 0.000 -11.747 0.000) 11.747 7.732 ( 0.000 11.747 0.000) 11.747 8.100 ( 0.000 -5.600 0.000) 5.600 8.100 ( 0.000 5.600 0.000) 5.600 8.192 ( 0.000 -5.189 0.000) 5.189 8.192 ( 0.000 5.189 0.000) 5.189 8.397 ( 0.000 -3.127 0.000) 3.127 8.397 ( 0.000 3.127 0.000) 3.127 8.814 ( 0.000 -1.522 0.000) 1.522 8.814 ( 0.000 1.522 0.000) 1.522 8.875 ( 0.000 -5.159 0.000) 5.159 8.875 ( 0.000 5.159 0.000) 5.159 9.822 ( 0.000 -0.954 0.000) 0.954 9.822 ( 0.000 0.954 0.000) 0.954 9.913 ( 0.000 -5.025 0.000) 5.025 9.913 ( 0.000 5.025 0.000) 5.025 9.947 ( 0.000 -3.455 0.000) 3.455 9.947 ( 0.000 3.455 0.000) 3.455 10.303 ( 0.000 -1.304 0.000) 1.304 10.303 ( 0.000 1.304 0.000) 1.304 10.666 ( 0.000 -0.038 0.000) 0.038 10.666 ( 0.000 0.038 0.000) 0.038 10.703 ( 0.000 -0.513 0.000) 0.513 10.703 ( 0.000 0.513 0.000) 0.513 11.217 ( 0.000 -4.205 0.000) 4.205 11.217 ( 0.000 4.205 0.000) 4.205 11.397 ( 0.000 -1.472 0.000) 1.472 11.397 ( 0.000 1.472 0.000) 1.472 11.513 ( 0.000 -1.722 0.000) 1.722 11.513 ( 0.000 1.722 0.000) 1.722 11.699 ( 0.000 -2.860 0.000) 2.860 11.699 ( 0.000 2.860 0.000) 2.860 11.943 ( 0.000 -1.047 0.000) 1.047 11.943 ( 0.000 1.047 0.000) 1.047 12.161 ( 0.000 -4.578 0.000) 4.578 12.161 ( 0.000 4.578 0.000) 4.578 12.361 ( 0.000 -3.526 0.000) 3.526 12.361 ( 0.000 3.526 0.000) 3.526 12.724 ( 0.000 -7.732 0.000) 7.732 12.724 ( 0.000 7.732 0.000) 7.732 12.816 ( 0.000 -0.388 0.000) 0.388 12.816 ( 0.000 0.388 0.000) 0.388 12.970 ( 0.000 -6.800 0.000) 6.800 12.970 ( 0.000 6.800 0.000) 6.800 13.525 ( 0.000 -3.590 0.000) 3.590 13.525 ( 0.000 3.590 0.000) 3.590 14.006 ( 0.000 -4.293 0.000) 4.293 14.006 ( 0.000 4.293 0.000) 4.293 14.342 ( 0.000 -4.240 0.000) 4.240 14.342 ( 0.000 4.240 0.000) 4.240 14.364 ( 0.000 -2.353 0.000) 2.353 14.364 ( 0.000 2.353 0.000) 2.353 16.009 ( 0.000 -0.507 0.000) 0.507 16.009 ( 0.000 0.507 0.000) 0.507 16.178 ( 0.000 -0.441 0.000) 0.441 16.178 ( 0.000 0.441 0.000) 0.441 16.587 ( 0.000 -0.239 0.000) 0.239 16.587 ( 0.000 0.239 0.000) 0.239 16.626 ( 0.000 -0.800 0.000) 0.800 16.626 ( 0.000 0.800 0.000) 0.800 17.237 ( 0.000 -2.536 0.000) 2.536 17.237 ( 0.000 2.536 0.000) 2.536 17.479 ( 0.000 -0.367 0.000) 0.367 17.479 ( 0.000 0.367 0.000) 0.367 18.987 ( 0.000 -0.446 0.000) 0.446 18.987 ( 0.000 0.446 0.000) 0.446 19.075 ( 0.000 -1.989 0.000) 1.989 19.075 ( 0.000 1.989 0.000) 1.989 20.517 ( 0.000 -2.731 0.000) 2.731 20.517 ( 0.000 2.731 0.000) 2.731 21.030 ( 0.000 -3.405 0.000) 3.405 21.030 ( 0.000 3.405 0.000) 3.405 22.080 ( 0.000 -5.197 0.000) 5.197 22.080 ( 0.000 5.197 0.000) 5.197 22.394 ( 0.000 -0.329 0.000) 0.329 22.394 ( 0.000 0.329 0.000) 0.329 22.651 ( 0.000 -3.910 0.000) 3.910 22.651 ( 0.000 3.910 0.000) 3.910 22.918 ( 0.000 -1.685 0.000) 1.685 22.918 ( 0.000 1.685 0.000) 1.685 27.243 ( 0.000 -0.129 0.000) 0.129 27.243 ( 0.000 0.129 0.000) 0.129 27.504 ( 0.000 -0.615 0.000) 0.615 27.504 ( 0.000 0.615 0.000) 0.615 28.683 ( 0.000 -0.201 0.000) 0.201 28.683 ( 0.000 0.201 0.000) 0.201 29.519 ( 0.000 -0.617 0.000) 0.617 29.519 ( 0.000 0.617 0.000) 0.617 30.277 ( 0.000 -0.578 0.000) 0.578 30.277 ( 0.000 0.578 0.000) 0.578 30.382 ( 0.000 -0.316 0.000) 0.316 30.382 ( 0.000 0.316 0.000) 0.316 30.812 ( 0.000 -6.441 0.000) 6.441 30.812 ( 0.000 6.441 0.000) 6.441 31.867 ( 0.000 -12.982 0.000) 12.982 31.867 ( 0.000 12.982 0.000) 12.982 ======================= Grid point 20 (12/78) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.482 -21.150 14.921) 26.117 1.196 ( 3.482 21.150 14.921) 26.117 1.364 ( 14.090 -22.429 0.379) 26.490 1.364 ( 14.090 22.429 0.379) 26.490 2.122 ( 4.086 -2.066 -3.454) 5.735 2.122 ( 4.086 2.066 -3.454) 5.735 2.191 ( 6.141 -6.410 -1.396) 8.986 2.191 ( 6.141 6.410 -1.396) 8.986 2.357 ( 9.505 -10.023 4.723) 14.598 2.357 ( 9.505 10.023 4.723) 14.598 2.656 ( 6.562 -13.551 2.158) 15.210 2.656 ( 6.562 13.551 2.158) 15.210 2.820 ( 2.425 -3.552 -1.913) 4.707 2.820 ( 2.425 3.552 -1.913) 4.707 2.971 ( -4.158 -10.784 -3.820) 12.172 2.971 ( -4.158 10.784 -3.820) 12.172 3.047 ( 7.429 -3.194 6.093) 10.125 3.047 ( 7.429 3.194 6.093) 10.125 3.266 ( 1.049 -8.974 2.895) 9.488 3.266 ( 1.049 8.974 2.895) 9.488 3.345 ( 3.795 -4.504 2.737) 6.495 3.345 ( 3.795 4.504 2.737) 6.495 3.511 ( 0.556 -6.822 -4.482) 8.182 3.511 ( 0.556 6.822 -4.482) 8.182 3.640 ( -2.182 -1.684 -2.470) 3.701 3.640 ( -2.182 1.684 -2.470) 3.701 3.895 ( 2.559 -6.888 5.314) 9.068 3.895 ( 2.559 6.888 5.314) 9.068 4.029 ( -3.544 -3.742 -2.232) 5.617 4.029 ( -3.544 3.742 -2.232) 5.617 4.137 ( 2.328 -3.796 0.135) 4.455 4.137 ( 2.328 3.796 0.135) 4.455 4.419 ( -0.457 -9.694 -0.060) 9.705 4.419 ( -0.457 9.694 -0.060) 9.705 4.584 ( -4.742 -1.662 -0.485) 5.048 4.584 ( -4.742 1.662 -0.485) 5.048 4.786 ( -2.472 -0.742 -0.977) 2.759 4.786 ( -2.472 0.742 -0.977) 2.759 4.939 ( 0.232 -4.305 -4.312) 6.097 4.939 ( 0.232 4.305 -4.312) 6.097 5.052 ( 3.260 -1.232 -0.145) 3.488 5.052 ( 3.260 1.232 -0.145) 3.488 5.185 ( 2.326 -1.615 1.980) 3.455 5.185 ( 2.326 1.615 1.980) 3.455 5.427 ( -3.793 -2.548 -0.293) 4.578 5.427 ( -3.793 2.548 -0.293) 4.578 5.562 ( -1.557 -1.431 -1.753) 2.746 5.562 ( -1.557 1.431 -1.753) 2.746 5.623 ( -5.292 -4.164 -1.021) 6.811 5.623 ( -5.292 4.164 -1.021) 6.811 5.727 ( -0.300 -5.037 0.184) 5.050 5.727 ( -0.300 5.037 0.184) 5.050 5.802 ( 0.361 -3.573 -2.300) 4.265 5.802 ( 0.361 3.573 -2.300) 4.265 5.911 ( 2.849 -5.986 3.312) 7.411 5.911 ( 2.849 5.986 3.312) 7.411 6.258 ( -6.491 -0.870 -3.617) 7.482 6.258 ( -6.491 0.870 -3.617) 7.482 6.461 ( 5.363 -3.655 -4.936) 8.154 6.461 ( 5.363 3.655 -4.936) 8.154 6.647 ( -0.288 -2.368 7.932) 8.282 6.647 ( -0.288 2.368 7.932) 8.282 6.812 ( -0.372 -2.689 0.667) 2.796 6.812 ( -0.372 2.689 0.667) 2.796 7.121 ( -1.588 -2.683 -1.261) 3.363 7.121 ( -1.588 2.683 -1.261) 3.363 7.142 ( -3.323 -6.137 0.241) 6.982 7.142 ( -3.323 6.137 0.241) 6.982 7.329 ( 0.119 -1.696 -0.952) 1.948 7.329 ( 0.119 1.696 -0.952) 1.948 7.437 ( -1.432 -4.341 -3.034) 5.486 7.437 ( -1.432 4.341 -3.034) 5.486 7.756 ( 0.755 -10.463 3.907) 11.194 7.756 ( 0.755 10.463 3.907) 11.194 8.050 ( -3.187 -5.494 -0.888) 6.413 8.050 ( -3.187 5.494 -0.888) 6.413 8.139 ( -3.158 -3.025 -0.819) 4.449 8.139 ( -3.158 3.025 -0.819) 4.449 8.424 ( -0.400 -4.123 0.081) 4.143 8.424 ( -0.400 4.123 0.081) 4.143 8.720 ( -7.030 -2.998 0.300) 7.648 8.720 ( -7.030 2.998 0.300) 7.648 8.884 ( -2.610 -1.747 2.438) 3.976 8.884 ( -2.610 1.747 2.438) 3.976 9.804 ( -3.252 -2.302 2.075) 4.493 9.804 ( -3.252 2.302 2.075) 4.493 9.867 ( 0.842 -1.614 -2.078) 2.763 9.867 ( 0.842 1.614 -2.078) 2.763 10.012 ( 4.361 -3.430 -2.644) 6.146 10.012 ( 4.361 3.430 -2.644) 6.146 10.305 ( 3.396 -3.395 -6.275) 7.902 10.305 ( 3.396 3.395 -6.275) 7.902 10.606 ( -2.549 -2.473 3.581) 5.044 10.606 ( -2.549 2.473 3.581) 5.044 10.859 ( 7.606 -1.415 -1.707) 7.923 10.859 ( 7.606 1.415 -1.707) 7.923 11.227 ( -0.345 -1.963 2.484) 3.185 11.227 ( -0.345 1.963 2.484) 3.185 11.372 ( 1.490 -1.744 0.260) 2.308 11.372 ( 1.490 1.744 0.260) 2.308 11.550 ( 2.576 -1.934 -0.975) 3.365 11.550 ( 2.576 1.934 -0.975) 3.365 11.689 ( 0.004 -2.434 -1.578) 2.900 11.689 ( 0.004 2.434 -1.578) 2.900 11.943 ( -0.903 -0.704 1.616) 1.980 11.943 ( -0.903 0.704 1.616) 1.980 12.156 ( 0.954 -2.679 -3.979) 4.891 12.156 ( 0.954 2.679 -3.979) 4.891 12.345 ( 1.925 -0.472 -6.595) 6.886 12.345 ( 1.925 0.472 -6.595) 6.886 12.717 ( -1.054 -7.551 0.926) 7.680 12.717 ( -1.054 7.551 0.926) 7.680 12.843 ( 0.124 -1.346 4.728) 4.917 12.843 ( 0.124 1.346 4.728) 4.917 13.030 ( 2.517 -9.025 6.710) 11.524 13.030 ( 2.517 9.025 6.710) 11.524 13.540 ( -1.848 -4.631 5.713) 7.582 13.540 ( -1.848 4.631 5.713) 7.582 13.960 ( -2.444 -2.543 -6.460) 7.360 13.960 ( -2.444 2.543 -6.460) 7.360 14.277 ( -5.874 -5.453 9.043) 12.084 14.277 ( -5.874 5.453 9.043) 12.084 14.434 ( 5.134 -2.040 -4.092) 6.875 14.434 ( 5.134 2.040 -4.092) 6.875 16.014 ( 0.266 -1.528 0.559) 1.648 16.014 ( 0.266 1.528 0.559) 1.648 16.196 ( 1.876 -0.470 -0.052) 1.935 16.196 ( 1.876 0.470 -0.052) 1.935 16.553 ( -2.344 -1.246 -1.001) 2.837 16.553 ( -2.344 1.246 -1.001) 2.837 16.628 ( 0.740 -0.882 -1.426) 1.833 16.628 ( 0.740 0.882 -1.426) 1.833 17.218 ( -2.704 -2.956 2.540) 4.744 17.218 ( -2.704 2.956 2.540) 4.744 17.448 ( -2.615 -0.323 -0.379) 2.662 17.448 ( -2.615 0.323 -0.379) 2.662 19.029 ( 6.727 -1.585 -0.312) 6.918 19.029 ( 6.727 1.585 -0.312) 6.918 19.300 ( 19.493 -6.277 -0.525) 20.485 19.300 ( 19.493 6.277 -0.525) 20.485 20.493 ( -2.650 -2.650 -0.228) 3.754 20.493 ( -2.650 2.650 -0.228) 3.754 20.990 ( -4.778 -2.742 0.878) 5.578 20.990 ( -4.778 2.742 0.878) 5.578 22.075 ( -0.573 -4.668 -0.148) 4.706 22.075 ( -0.573 4.668 -0.148) 4.706 22.400 ( 0.135 -0.878 1.001) 1.339 22.400 ( 0.135 0.878 1.001) 1.339 22.644 ( -0.763 -3.625 -0.075) 3.706 22.644 ( -0.763 3.625 -0.075) 3.706 22.843 ( -5.343 -4.573 -3.069) 7.674 22.843 ( -5.343 4.573 -3.069) 7.674 27.246 ( 0.470 -0.047 -0.303) 0.561 27.246 ( 0.470 0.047 -0.303) 0.561 27.488 ( -1.292 -1.456 -0.456) 1.999 27.488 ( -1.292 1.456 -0.456) 1.999 28.680 ( -0.277 -0.683 -0.069) 0.740 28.680 ( -0.277 0.683 -0.069) 0.740 29.361 ( -9.707 -7.016 -4.718) 12.873 29.361 ( -9.707 7.016 -4.718) 12.873 30.269 ( 0.462 -0.613 -0.741) 1.067 30.269 ( 0.462 0.613 -0.741) 1.067 30.581 ( 14.004 -9.817 3.035) 17.370 30.581 ( 14.004 9.817 3.035) 17.370 30.820 ( 0.698 -6.631 0.368) 6.678 30.820 ( 0.698 6.631 0.368) 6.678 31.842 ( -4.112 -10.631 3.075) 11.807 31.842 ( -4.112 10.631 3.075) 11.807 ======================= Grid point 22 (13/78) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.747 -17.509 18.622) 26.199 1.440 ( 5.747 17.509 18.622) 26.199 1.669 ( 18.440 -15.171 1.495) 23.925 1.669 ( 18.440 15.171 1.495) 23.925 2.199 ( 4.832 -6.003 1.218) 7.802 2.199 ( 4.832 6.003 1.218) 7.802 2.348 ( 9.421 -4.255 2.548) 10.647 2.348 ( 9.421 4.255 2.548) 10.647 2.555 ( 5.619 -2.584 -0.352) 6.195 2.555 ( 5.619 2.584 -0.352) 6.195 2.716 ( 0.195 -3.610 -2.201) 4.233 2.716 ( 0.195 3.610 -2.201) 4.233 2.827 ( 6.315 -5.850 -2.856) 9.070 2.827 ( 6.315 5.850 -2.856) 9.070 2.967 ( 3.284 -3.214 1.138) 4.734 2.967 ( 3.284 3.214 1.138) 4.734 3.188 ( 0.487 -3.169 -0.821) 3.310 3.188 ( 0.487 3.169 -0.821) 3.310 3.301 ( 3.332 -3.053 -0.069) 4.520 3.301 ( 3.332 3.053 -0.069) 4.520 3.430 ( 3.492 -0.570 2.598) 4.390 3.430 ( 3.492 0.570 2.598) 4.390 3.512 ( 2.322 -4.308 -1.299) 5.064 3.512 ( 2.322 4.308 -1.299) 5.064 3.630 ( 2.907 -3.409 -0.699) 4.535 3.630 ( 2.907 3.409 -0.699) 4.535 3.895 ( -3.353 -1.388 -1.295) 3.853 3.895 ( -3.353 1.388 -1.295) 3.853 4.029 ( -0.073 -1.242 7.194) 7.300 4.029 ( -0.073 1.242 7.194) 7.300 4.182 ( 3.720 -2.479 -1.942) 4.874 4.182 ( 3.720 2.479 -1.942) 4.874 4.399 ( -0.001 -10.706 -2.414) 10.975 4.399 ( -0.001 10.706 -2.414) 10.975 4.528 ( -1.118 -2.581 1.845) 3.364 4.528 ( -1.118 2.581 1.845) 3.364 4.761 ( -0.180 -1.373 -1.244) 1.861 4.761 ( -0.180 1.373 -1.244) 1.861 4.873 ( -1.573 -2.094 -3.465) 4.344 4.873 ( -1.573 2.094 -3.465) 4.344 5.130 ( 1.835 -0.733 1.555) 2.514 5.130 ( 1.835 0.733 1.555) 2.514 5.165 ( -4.812 -4.065 -0.821) 6.352 5.165 ( -4.812 4.065 -0.821) 6.352 5.378 ( -6.967 -4.123 -0.647) 8.121 5.378 ( -6.967 4.123 -0.647) 8.121 5.461 ( 0.196 -3.618 0.181) 3.628 5.461 ( 0.196 3.618 0.181) 3.628 5.532 ( -2.266 -1.648 -5.063) 5.786 5.532 ( -2.266 1.648 -5.063) 5.786 5.742 ( 0.952 -5.502 -0.954) 5.665 5.742 ( 0.952 5.502 -0.954) 5.665 5.767 ( -1.564 -2.804 -0.143) 3.214 5.767 ( -1.564 2.804 -0.143) 3.214 5.985 ( 0.516 -1.438 3.982) 4.265 5.985 ( 0.516 1.438 3.982) 4.265 6.128 ( -4.322 -3.630 -3.364) 6.571 6.128 ( -4.322 3.630 -3.364) 6.571 6.487 ( 0.945 -1.936 -2.901) 3.613 6.487 ( 0.945 1.936 -2.901) 3.613 6.697 ( 0.344 -3.065 4.896) 5.786 6.697 ( 0.344 3.065 4.896) 5.786 6.839 ( 1.586 -0.919 1.397) 2.305 6.839 ( 1.586 0.919 1.397) 2.305 7.028 ( -3.200 -2.131 -4.283) 5.756 7.028 ( -3.200 2.131 -4.283) 5.756 7.135 ( 0.094 -3.855 1.588) 4.170 7.135 ( 0.094 3.855 1.588) 4.170 7.349 ( 2.613 -1.819 0.102) 3.186 7.349 ( 2.613 1.819 0.102) 3.186 7.408 ( 0.015 -5.445 0.165) 5.448 7.408 ( 0.015 5.445 0.165) 5.448 7.784 ( -1.019 -5.170 -0.101) 5.270 7.784 ( -1.019 5.170 -0.101) 5.270 8.024 ( -1.510 -3.840 3.469) 5.391 8.024 ( -1.510 3.840 3.469) 5.391 8.081 ( -1.846 -3.259 -0.932) 3.860 8.081 ( -1.846 3.259 -0.932) 3.860 8.363 ( -4.279 -2.926 -1.945) 5.537 8.363 ( -4.279 2.926 -1.945) 5.537 8.602 ( -7.502 -4.219 2.213) 8.887 8.602 ( -7.502 4.219 2.213) 8.887 8.829 ( -4.453 -2.207 0.756) 5.027 8.829 ( -4.453 2.207 0.756) 5.027 9.783 ( -1.791 -0.750 3.853) 4.315 9.783 ( -1.791 0.750 3.853) 4.315 9.877 ( 2.391 -2.271 -3.874) 5.088 9.877 ( 2.391 2.271 -3.874) 5.088 10.053 ( 3.516 -1.206 -3.056) 4.812 10.053 ( 3.516 1.206 -3.056) 4.812 10.297 ( 0.959 -1.533 -4.831) 5.158 10.297 ( 0.959 1.533 -4.831) 5.158 10.635 ( 2.711 -5.094 1.314) 5.918 10.635 ( 2.711 5.094 1.314) 5.918 10.893 ( 0.857 -1.132 -2.927) 3.254 10.893 ( 0.857 1.132 -2.927) 3.254 11.228 ( -1.233 -2.461 2.393) 3.647 11.228 ( -1.233 2.461 2.393) 3.647 11.443 ( 2.281 -4.814 -3.100) 6.163 11.443 ( 2.281 4.814 -3.100) 6.163 11.591 ( 2.380 -1.730 2.860) 4.103 11.591 ( 2.380 1.730 2.860) 4.103 11.700 ( 2.030 -2.806 2.468) 4.253 11.700 ( 2.030 2.806 2.468) 4.253 11.935 ( -1.878 -1.292 1.822) 2.918 11.935 ( -1.878 1.292 1.822) 2.918 12.119 ( 0.660 -3.822 -6.442) 7.519 12.119 ( 0.660 3.822 -6.442) 7.519 12.316 ( 0.413 -4.653 -4.851) 6.735 12.316 ( 0.413 4.653 -4.851) 6.735 12.722 ( 1.338 -7.287 0.523) 7.427 12.722 ( 1.338 7.287 0.523) 7.427 12.897 ( 1.767 -2.110 3.108) 4.152 12.897 ( 1.767 2.110 3.108) 4.152 13.136 ( 1.400 -7.543 8.146) 11.190 13.136 ( 1.400 7.543 8.146) 11.190 13.538 ( -3.827 -5.213 4.929) 8.131 13.538 ( -3.827 5.213 4.929) 8.131 13.829 ( -4.886 -1.652 -5.624) 7.631 13.829 ( -4.886 1.652 -5.624) 7.631 14.298 ( -3.887 -4.475 12.763) 14.072 14.298 ( -3.887 4.475 12.763) 14.072 14.469 ( 5.911 -1.786 -9.707) 11.504 14.469 ( 5.911 1.786 -9.707) 11.504 16.027 ( 0.467 -2.478 0.681) 2.612 16.027 ( 0.467 2.478 0.681) 2.612 16.232 ( 1.879 -0.428 0.190) 1.936 16.232 ( 1.879 0.428 0.190) 1.936 16.511 ( -0.990 -2.133 -1.249) 2.663 16.511 ( -0.990 2.133 -1.249) 2.663 16.627 ( 0.504 -1.173 -0.955) 1.595 16.627 ( 0.504 1.173 -0.955) 1.595 17.204 ( -1.520 -2.036 2.680) 3.693 17.204 ( -1.520 2.036 2.680) 3.693 17.395 ( -2.840 -0.551 -0.340) 2.913 17.395 ( -2.840 0.551 -0.340) 2.913 19.202 ( 12.149 -1.908 -0.241) 12.300 19.202 ( 12.149 1.908 -0.241) 12.300 19.632 ( 18.314 -8.609 -3.436) 20.527 19.632 ( 18.314 8.609 -3.436) 20.527 20.421 ( -5.184 -2.458 -0.146) 5.740 20.421 ( -5.184 2.458 -0.146) 5.740 20.890 ( -6.967 -4.222 1.073) 8.217 20.890 ( -6.967 4.222 1.073) 8.217 22.057 ( -1.062 -2.796 -0.514) 3.035 22.057 ( -1.062 2.796 -0.514) 3.035 22.417 ( 0.309 -2.572 1.723) 3.111 22.417 ( 0.309 2.572 1.723) 3.111 22.621 ( -1.524 -2.807 -0.508) 3.234 22.621 ( -1.524 2.807 -0.508) 3.234 22.730 ( -4.018 -4.482 -1.930) 6.321 22.730 ( -4.018 4.482 -1.930) 6.321 27.253 ( 0.553 -0.111 -0.401) 0.692 27.253 ( 0.553 0.111 -0.401) 0.692 27.462 ( -1.141 -1.956 -0.063) 2.266 27.462 ( -1.141 1.956 -0.063) 2.266 28.673 ( -0.357 -1.201 -0.088) 1.256 28.673 ( -0.357 1.201 -0.088) 1.256 29.193 ( -5.453 -8.084 -2.279) 10.014 29.193 ( -5.453 8.084 -2.279) 10.014 30.276 ( 0.902 -1.187 -0.856) 1.719 30.276 ( 0.902 1.187 -0.856) 1.719 30.794 ( 5.260 -6.454 -0.240) 8.329 30.794 ( 5.260 6.454 -0.240) 8.329 30.867 ( 6.178 -9.963 1.740) 11.851 30.867 ( 6.178 9.963 1.740) 11.851 31.787 ( -4.902 -6.907 3.025) 8.994 31.787 ( -4.902 6.907 3.025) 8.994 ======================= Grid point 24 (14/78) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 5.549 -12.983 14.830) 20.476 1.697 ( 5.549 12.983 14.830) 20.476 1.998 ( 14.511 -8.264 2.230) 16.848 1.998 ( 14.511 8.264 2.230) 16.848 2.274 ( 1.208 -7.721 1.466) 7.952 2.274 ( 1.208 7.721 1.466) 7.952 2.458 ( 1.945 -5.228 -4.110) 6.929 2.458 ( 1.945 5.228 -4.110) 6.929 2.562 ( -0.711 -2.026 2.269) 3.124 2.562 ( -0.711 2.026 2.269) 3.124 2.767 ( 6.266 -5.159 3.268) 8.749 2.767 ( 6.266 5.159 3.268) 8.749 2.855 ( -1.985 -5.490 -6.498) 8.735 2.855 ( -1.985 5.490 -6.498) 8.735 3.104 ( 8.473 -5.055 1.474) 9.976 3.104 ( 8.473 5.055 1.474) 9.976 3.184 ( 0.658 -6.521 0.155) 6.556 3.184 ( 0.658 6.521 0.155) 6.556 3.277 ( -1.336 -1.737 -4.367) 4.886 3.277 ( -1.336 1.737 -4.367) 4.886 3.519 ( 3.024 -6.019 -0.393) 6.747 3.519 ( 3.024 6.019 -0.393) 6.747 3.547 ( 2.781 -4.814 0.501) 5.582 3.547 ( 2.781 4.814 0.501) 5.582 3.694 ( 5.441 -3.314 -1.006) 6.450 3.694 ( 5.441 3.314 -1.006) 6.450 3.875 ( -0.666 -2.653 2.888) 3.978 3.875 ( -0.666 2.653 2.888) 3.978 4.006 ( -7.939 -3.685 3.134) 9.297 4.006 ( -7.939 3.685 3.134) 9.297 4.248 ( 5.042 -2.865 -2.384) 6.270 4.248 ( 5.042 2.865 -2.384) 6.270 4.410 ( 3.400 -4.968 -3.211) 6.823 4.410 ( 3.400 4.968 -3.211) 6.823 4.527 ( -2.010 -3.453 2.079) 4.503 4.527 ( -2.010 3.453 2.079) 4.503 4.735 ( -2.001 -1.874 -1.387) 3.072 4.735 ( -2.001 1.874 -1.387) 3.072 4.870 ( 3.314 -5.561 0.534) 6.495 4.870 ( 3.314 5.561 0.534) 6.495 5.038 ( -6.485 -4.581 -1.726) 8.126 5.038 ( -6.485 4.581 -1.726) 8.126 5.132 ( -1.626 -2.506 4.550) 5.443 5.132 ( -1.626 2.506 4.550) 5.443 5.274 ( -4.524 -1.905 -0.627) 4.949 5.274 ( -4.524 1.905 -0.627) 4.949 5.430 ( 0.261 -3.439 -6.108) 7.015 5.430 ( 0.261 3.439 -6.108) 7.015 5.508 ( -0.789 -4.025 -0.670) 4.156 5.508 ( -0.789 4.025 -0.670) 4.156 5.746 ( -0.076 -5.117 0.510) 5.143 5.746 ( -0.076 5.117 0.510) 5.143 5.791 ( 4.465 -5.840 1.112) 7.435 5.791 ( 4.465 5.840 1.112) 7.435 5.979 ( -3.042 -4.325 0.963) 5.375 5.979 ( -3.042 4.325 0.963) 5.375 6.050 ( -2.895 -3.905 -0.297) 4.870 6.050 ( -2.895 3.905 -0.297) 4.870 6.452 ( -2.063 -2.559 -1.244) 3.515 6.452 ( -2.063 2.559 -1.244) 3.515 6.739 ( 0.995 -1.260 0.301) 1.634 6.739 ( 0.995 1.260 0.301) 1.634 6.876 ( 1.887 -0.330 0.663) 2.027 6.876 ( 1.887 0.330 0.663) 2.027 6.974 ( -0.171 -0.845 -1.480) 1.713 6.974 ( -0.171 0.845 -1.480) 1.713 7.144 ( 0.206 -5.712 -1.209) 5.842 7.144 ( 0.206 5.712 -1.209) 5.842 7.416 ( 2.227 -3.373 1.770) 4.413 7.416 ( 2.227 3.373 1.770) 4.413 7.445 ( 2.852 -5.545 4.154) 7.492 7.445 ( 2.852 5.545 4.154) 7.492 7.723 ( -3.073 -1.687 -3.639) 5.053 7.723 ( -3.073 1.687 -3.639) 5.053 7.984 ( -4.263 -2.156 1.062) 4.894 7.984 ( -4.263 2.156 1.062) 4.894 8.088 ( 0.241 -5.548 1.387) 5.724 8.088 ( 0.241 5.548 1.387) 5.724 8.288 ( -1.179 -1.692 -1.868) 2.783 8.288 ( -1.179 1.692 -1.868) 2.783 8.497 ( -6.021 -3.382 1.710) 7.114 8.497 ( -6.021 3.382 1.710) 7.114 8.764 ( -2.829 -2.352 0.295) 3.691 8.764 ( -2.829 2.352 0.295) 3.691 9.800 ( -0.358 -1.477 3.248) 3.586 9.800 ( -0.358 1.477 3.248) 3.586 9.876 ( 1.128 -1.801 -2.994) 3.671 9.876 ( 1.128 1.801 -2.994) 3.671 10.087 ( 2.528 -0.465 -1.596) 3.026 10.087 ( 2.528 0.465 -1.596) 3.026 10.260 ( -0.908 -0.307 -2.642) 2.811 10.260 ( -0.908 0.307 -2.642) 2.811 10.690 ( 3.033 -8.932 -1.999) 9.643 10.690 ( 3.033 8.932 -1.999) 9.643 10.895 ( 0.902 -4.158 0.434) 4.277 10.895 ( 0.902 4.158 0.434) 4.277 11.236 ( 0.068 -1.760 1.210) 2.137 11.236 ( 0.068 1.760 1.210) 2.137 11.400 ( -1.796 -4.548 -2.764) 5.617 11.400 ( -1.796 4.548 -2.764) 5.617 11.624 ( -0.009 -1.452 -0.116) 1.457 11.624 ( -0.009 1.452 -0.116) 1.457 11.795 ( 1.455 -4.956 5.331) 7.423 11.795 ( 1.455 4.956 5.331) 7.423 11.926 ( 0.433 -4.814 2.362) 5.379 11.926 ( 0.433 4.814 2.362) 5.379 12.080 ( 0.419 -7.059 -4.931) 8.621 12.080 ( 0.419 7.059 -4.931) 8.621 12.274 ( -0.749 -7.264 -3.233) 7.986 12.274 ( -0.749 7.264 -3.233) 7.986 12.773 ( 3.296 -7.155 0.782) 7.916 12.773 ( 3.296 7.155 0.782) 7.916 12.939 ( 0.542 -1.767 0.653) 1.960 12.939 ( 0.542 1.767 0.653) 1.960 13.224 ( 1.078 -3.264 6.712) 7.541 13.224 ( 1.078 3.264 6.712) 7.541 13.507 ( -2.804 -4.185 2.471) 5.611 13.507 ( -2.804 4.185 2.471) 5.611 13.708 ( -3.602 -2.191 -4.094) 5.877 13.708 ( -3.602 2.191 -4.094) 5.877 14.340 ( -3.973 -3.541 11.909) 13.044 14.340 ( -3.973 3.541 11.909) 13.044 14.474 ( 5.297 -1.112 -11.239) 12.475 14.474 ( 5.297 1.112 -11.239) 12.475 16.041 ( 0.423 -3.035 0.455) 3.098 16.041 ( 0.423 3.035 0.455) 3.098 16.260 ( 0.900 -0.743 0.246) 1.193 16.260 ( 0.900 0.743 0.246) 1.193 16.496 ( 0.085 -2.094 -0.699) 2.210 16.496 ( 0.085 2.094 -0.699) 2.210 16.630 ( 0.376 -1.131 -0.364) 1.246 16.630 ( 0.376 1.131 -0.364) 1.246 17.207 ( -0.372 -1.167 1.544) 1.971 17.207 ( -0.372 1.167 1.544) 1.971 17.347 ( -2.020 -0.682 -0.337) 2.159 17.347 ( -2.020 0.682 -0.337) 2.159 19.417 ( 10.647 -1.183 0.282) 10.716 19.417 ( 10.647 1.183 0.282) 10.716 19.869 ( 12.015 -7.417 -4.055) 14.690 19.869 ( 12.015 7.417 -4.055) 14.690 20.314 ( -6.386 -2.091 0.303) 6.726 20.314 ( -6.386 2.091 0.303) 6.726 20.780 ( -5.736 -6.159 0.758) 8.450 20.780 ( -5.736 6.159 0.758) 8.450 22.035 ( -0.764 -1.487 -0.464) 1.735 22.035 ( -0.764 1.487 -0.464) 1.735 22.437 ( 0.220 -4.779 1.428) 4.993 22.437 ( 0.220 4.779 1.428) 4.993 22.588 ( -1.330 -2.167 -0.488) 2.589 22.588 ( -1.330 2.167 -0.488) 2.589 22.672 ( -1.580 -2.079 -0.559) 2.671 22.672 ( -1.580 2.079 -0.559) 2.671 27.258 ( 0.322 -0.148 -0.275) 0.449 27.258 ( 0.322 0.148 -0.275) 0.449 27.448 ( -0.573 -1.414 0.170) 1.536 27.448 ( -0.573 1.414 0.170) 1.536 28.667 ( -0.237 -1.516 -0.056) 1.536 28.667 ( -0.237 1.516 -0.056) 1.536 29.115 ( -2.216 -5.978 -0.665) 6.410 29.115 ( -2.216 5.978 -0.665) 6.410 30.283 ( 0.588 -1.743 -0.536) 1.916 30.283 ( 0.588 1.743 -0.536) 1.916 30.823 ( 0.503 -9.033 -0.191) 9.049 30.823 ( 0.503 9.033 -0.191) 9.049 31.004 ( 5.632 -14.269 0.821) 15.362 31.004 ( 5.632 14.269 0.821) 15.362 31.733 ( -3.154 -4.643 1.493) 5.808 31.733 ( -3.154 4.643 1.493) 5.808 ======================= Grid point 26 (15/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 -9.405 0.000) 9.405 1.835 ( 0.000 9.405 0.000) 9.405 2.138 ( 0.000 -7.043 0.000) 7.043 2.138 ( 0.000 7.043 0.000) 7.043 2.283 ( 0.000 -3.689 -0.000) 3.689 2.283 ( 0.000 3.689 0.000) 3.689 2.438 ( 0.000 -3.344 0.000) 3.344 2.438 ( 0.000 3.344 -0.000) 3.344 2.624 ( 0.000 -11.171 0.000) 11.171 2.624 ( 0.000 11.171 0.000) 11.171 2.720 ( -0.000 -6.141 -0.000) 6.141 2.720 ( 0.000 6.141 -0.000) 6.141 2.898 ( 0.000 -2.886 0.000) 2.886 2.898 ( 0.000 2.886 0.000) 2.886 3.140 ( 0.000 -2.947 -0.000) 2.947 3.140 ( 0.000 2.947 0.000) 2.947 3.198 ( 0.000 -4.460 0.000) 4.460 3.198 ( 0.000 4.460 0.000) 4.460 3.259 ( 0.000 -2.436 0.000) 2.436 3.259 ( 0.000 2.436 0.000) 2.436 3.563 ( 0.000 -6.201 0.000) 6.201 3.563 ( 0.000 6.201 0.000) 6.201 3.598 ( 0.000 -1.589 0.000) 1.589 3.598 ( 0.000 1.589 -0.000) 1.589 3.755 ( 0.000 -0.538 -0.000) 0.538 3.755 ( 0.000 0.538 -0.000) 0.538 3.870 ( 0.000 -0.629 0.000) 0.629 3.870 ( 0.000 0.629 0.000) 0.629 3.914 ( -0.000 -4.766 -0.000) 4.766 3.914 ( -0.000 4.766 -0.000) 4.766 4.273 ( 0.000 -1.870 -0.000) 1.870 4.273 ( 0.000 1.870 -0.000) 1.870 4.428 ( 0.000 -0.615 0.000) 0.615 4.428 ( 0.000 0.615 -0.000) 0.615 4.528 ( 0.000 -1.624 0.000) 1.624 4.528 ( 0.000 1.624 0.000) 1.624 4.689 ( 0.000 -2.529 0.000) 2.529 4.689 ( 0.000 2.529 0.000) 2.529 4.908 ( 0.000 -4.415 -0.000) 4.415 4.908 ( 0.000 4.415 0.000) 4.415 5.006 ( 0.000 -3.852 0.000) 3.852 5.006 ( 0.000 3.852 0.000) 3.852 5.140 ( 0.000 -2.369 0.000) 2.369 5.140 ( 0.000 2.369 -0.000) 2.369 5.212 ( 0.000 -0.646 0.000) 0.646 5.212 ( 0.000 0.646 -0.000) 0.646 5.403 ( 0.000 -4.106 -0.000) 4.106 5.403 ( 0.000 4.106 0.000) 4.106 5.489 ( 0.000 -1.539 0.000) 1.539 5.489 ( 0.000 1.539 0.000) 1.539 5.739 ( 0.000 -4.672 0.000) 4.672 5.739 ( 0.000 4.672 0.000) 4.672 5.874 ( 0.000 -6.654 0.000) 6.654 5.874 ( 0.000 6.654 0.000) 6.654 5.953 ( -0.000 -0.778 -0.000) 0.778 5.953 ( -0.000 0.778 0.000) 0.778 6.006 ( 0.000 -2.605 0.000) 2.605 6.006 ( 0.000 2.605 0.000) 2.605 6.422 ( 0.000 -2.322 0.000) 2.322 6.422 ( 0.000 2.322 0.000) 2.322 6.744 ( 0.000 -0.861 0.000) 0.861 6.744 ( 0.000 0.861 0.000) 0.861 6.906 ( 0.000 -0.356 -0.000) 0.356 6.906 ( 0.000 0.356 0.000) 0.356 6.968 ( 0.000 -1.270 0.000) 1.270 6.968 ( 0.000 1.270 0.000) 1.270 7.134 ( 0.000 -6.346 0.000) 6.346 7.134 ( 0.000 6.346 0.000) 6.346 7.439 ( 0.000 -5.910 0.000) 5.910 7.439 ( 0.000 5.910 -0.000) 5.910 7.526 ( 0.000 -5.975 0.000) 5.975 7.526 ( -0.000 5.975 -0.000) 5.975 7.656 ( 0.000 -2.941 0.000) 2.941 7.656 ( 0.000 2.941 0.000) 2.941 7.943 ( 0.000 -0.347 0.000) 0.347 7.943 ( 0.000 0.347 0.000) 0.347 8.090 ( 0.000 -4.231 0.000) 4.231 8.090 ( 0.000 4.231 -0.000) 4.231 8.280 ( 0.000 -0.801 0.000) 0.801 8.280 ( 0.000 0.801 0.000) 0.801 8.443 ( 0.000 -1.140 0.000) 1.140 8.443 ( 0.000 1.140 0.000) 1.140 8.741 ( 0.000 -1.696 0.000) 1.696 8.741 ( 0.000 1.696 0.000) 1.696 9.813 ( 0.000 -1.145 -0.000) 1.145 9.813 ( 0.000 1.145 -0.000) 1.145 9.872 ( 0.000 -0.876 0.000) 0.876 9.872 ( 0.000 0.876 0.000) 0.876 10.106 ( 0.000 -0.969 0.000) 0.969 10.106 ( 0.000 0.969 -0.000) 0.969 10.236 ( 0.000 -0.713 0.000) 0.713 10.236 ( 0.000 0.713 0.000) 0.713 10.705 ( 0.000 -9.728 0.000) 9.728 10.705 ( 0.000 9.728 0.000) 9.728 10.911 ( 0.000 -5.024 0.000) 5.024 10.911 ( 0.000 5.024 0.000) 5.024 11.243 ( 0.000 -0.632 0.000) 0.632 11.243 ( 0.000 0.632 0.000) 0.632 11.368 ( 0.000 -5.039 0.000) 5.039 11.368 ( 0.000 5.039 0.000) 5.039 11.619 ( 0.000 -2.251 0.000) 2.251 11.619 ( 0.000 2.251 0.000) 2.251 11.817 ( 0.000 -3.044 0.000) 3.044 11.817 ( 0.000 3.044 0.000) 3.044 11.977 ( 0.000 -3.723 0.000) 3.723 11.977 ( 0.000 3.723 0.000) 3.723 12.044 ( 0.000 -3.019 -0.000) 3.019 12.044 ( 0.000 3.019 -0.000) 3.019 12.250 ( 0.000 -7.939 0.000) 7.939 12.250 ( 0.000 7.939 0.000) 7.939 12.818 ( 0.000 -7.234 0.000) 7.234 12.818 ( 0.000 7.234 0.000) 7.234 12.937 ( 0.000 -0.049 0.000) 0.049 12.937 ( 0.000 0.049 0.000) 0.049 13.273 ( 0.000 -0.312 0.000) 0.312 13.273 ( 0.000 0.312 0.000) 0.312 13.493 ( 0.000 -3.740 0.000) 3.740 13.493 ( 0.000 3.740 0.000) 3.740 13.650 ( 0.000 -0.023 0.000) 0.023 13.650 ( 0.000 0.023 0.000) 0.023 14.360 ( 0.000 -2.985 -0.000) 2.985 14.360 ( 0.000 2.985 -0.000) 2.985 14.468 ( 0.000 -0.725 0.000) 0.725 14.468 ( 0.000 0.725 0.000) 0.725 16.047 ( 0.000 -3.225 0.000) 3.225 16.047 ( 0.000 3.225 0.000) 3.225 16.269 ( 0.000 -0.921 0.000) 0.921 16.269 ( 0.000 0.921 0.000) 0.921 16.495 ( 0.000 -2.032 0.000) 2.032 16.495 ( 0.000 2.032 0.000) 2.032 16.632 ( 0.000 -1.021 0.000) 1.021 16.632 ( 0.000 1.021 0.000) 1.021 17.212 ( 0.000 -1.007 0.000) 1.007 17.212 ( 0.000 1.007 0.000) 1.007 17.325 ( 0.000 -0.730 0.000) 0.730 17.325 ( 0.000 0.730 0.000) 0.730 19.525 ( 0.000 -0.601 0.000) 0.601 19.525 ( 0.000 0.601 0.000) 0.601 19.967 ( -0.000 -6.593 0.000) 6.593 19.967 ( 0.000 6.593 0.000) 6.593 20.243 ( 0.000 -1.327 -0.000) 1.327 20.243 ( 0.000 1.327 0.000) 1.327 20.727 ( 0.000 -6.924 0.000) 6.924 20.727 ( 0.000 6.924 0.000) 6.924 22.026 ( 0.000 -1.882 0.000) 1.882 22.026 ( 0.000 1.882 0.000) 1.882 22.446 ( 0.000 -5.865 0.000) 5.865 22.446 ( 0.000 5.865 0.000) 5.865 22.573 ( 0.000 -1.501 0.000) 1.501 22.573 ( 0.000 1.501 0.000) 1.501 22.656 ( 0.000 -0.103 -0.000) 0.103 22.656 ( 0.000 0.103 0.000) 0.103 27.259 ( 0.000 -0.132 -0.000) 0.132 27.259 ( 0.000 0.132 0.000) 0.132 27.443 ( 0.000 -0.846 0.000) 0.846 27.443 ( 0.000 0.846 0.000) 0.846 28.664 ( 0.000 -1.618 0.000) 1.618 28.664 ( 0.000 1.618 0.000) 1.618 29.093 ( 0.000 -4.856 0.000) 4.856 29.093 ( 0.000 4.856 0.000) 4.856 30.286 ( 0.000 -1.971 0.000) 1.971 30.286 ( 0.000 1.971 0.000) 1.971 30.826 ( 0.000 -9.444 0.000) 9.444 30.826 ( 0.000 9.444 0.000) 9.444 31.060 ( 0.000 -14.110 0.000) 14.110 31.060 ( 0.000 14.110 0.000) 14.110 31.710 ( 0.000 -3.948 0.000) 3.948 31.710 ( 0.000 3.948 0.000) 3.948 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -0.034 0.000 21.997) 21.997 0.524 ( -2.111 0.000 27.060) 27.142 1.144 ( -12.125 0.000 57.176) 58.448 1.826 ( 1.753 0.000 -16.626) 16.718 1.928 ( -4.554 0.000 4.654) 6.511 1.995 ( 3.480 0.000 4.488) 5.679 2.051 ( -2.303 0.000 -0.892) 2.469 2.140 ( -7.324 0.000 6.339) 9.686 2.294 ( 1.327 0.000 10.261) 10.347 2.436 ( -5.413 0.000 -10.236) 11.579 2.494 ( -1.936 0.000 -1.123) 2.238 2.503 ( 4.280 0.000 13.176) 13.854 2.672 ( 1.435 0.000 4.666) 4.882 2.797 ( 7.619 0.000 -1.705) 7.807 2.922 ( -3.026 0.000 3.245) 4.437 3.014 ( 5.541 0.000 7.547) 9.362 3.103 ( -0.708 0.000 0.534) 0.887 3.150 ( -1.625 0.000 0.706) 1.771 3.217 ( 0.984 0.000 -3.256) 3.401 3.301 ( 12.342 0.000 2.000) 12.503 3.357 ( 4.681 0.000 -3.797) 6.027 3.487 ( 3.501 0.000 -1.568) 3.836 3.525 ( 0.434 0.000 2.097) 2.141 3.656 ( 0.627 0.000 -10.054) 10.074 3.682 ( 5.182 0.000 -8.785) 10.200 3.799 ( 3.183 0.000 -0.577) 3.234 3.843 ( -8.390 0.000 7.476) 11.238 3.957 ( 3.368 0.000 -0.932) 3.494 3.985 ( -4.122 0.000 -3.702) 5.540 4.034 ( 2.139 0.000 0.988) 2.356 4.083 ( 1.171 0.000 1.036) 1.564 4.275 ( -0.778 0.000 2.331) 2.457 4.292 ( -4.522 0.000 -4.736) 6.548 4.528 ( 5.471 0.000 1.034) 5.567 4.664 ( 4.536 0.000 -0.249) 4.543 4.772 ( -4.801 0.000 -1.604) 5.062 4.786 ( 0.033 0.000 0.873) 0.874 4.889 ( -3.765 0.000 -2.998) 4.812 4.928 ( -9.454 0.000 -3.511) 10.085 4.983 ( 4.310 0.000 0.880) 4.399 5.090 ( 1.475 0.000 -4.883) 5.101 5.110 ( 5.534 0.000 3.989) 6.822 5.220 ( 0.937 0.000 -1.109) 1.452 5.238 ( -7.673 0.000 -1.024) 7.741 5.268 ( 8.314 0.000 -1.342) 8.421 5.333 ( 6.880 0.000 -0.883) 6.937 5.385 ( -0.035 0.000 5.320) 5.320 5.386 ( -8.424 0.000 -2.149) 8.693 5.542 ( 1.302 0.000 2.941) 3.217 5.578 ( 1.162 0.000 -0.034) 1.162 5.629 ( -0.462 0.000 1.321) 1.400 5.654 ( 0.070 0.000 -1.022) 1.024 5.748 ( 0.901 0.000 -1.774) 1.989 5.828 ( -4.449 0.000 -6.072) 7.528 5.868 ( -0.239 0.000 3.093) 3.102 6.088 ( 3.500 0.000 -4.118) 5.404 6.157 ( -1.097 0.000 0.906) 1.423 6.162 ( 0.230 0.000 -5.247) 5.252 6.337 ( 3.155 0.000 -2.768) 4.197 6.359 ( 0.746 0.000 -7.474) 7.512 6.621 ( -1.393 0.000 6.488) 6.636 6.715 ( 3.277 0.000 2.736) 4.269 6.779 ( 2.327 0.000 2.828) 3.663 6.955 ( 0.454 0.000 -5.197) 5.217 7.021 ( -2.547 0.000 1.493) 2.952 7.136 ( 0.474 0.000 1.652) 1.719 7.227 ( 0.304 0.000 -3.638) 3.651 7.241 ( 0.382 0.000 -2.434) 2.464 7.289 ( 1.306 0.000 -0.505) 1.401 7.360 ( -2.229 0.000 -2.476) 3.331 7.408 ( 1.496 0.000 3.389) 3.704 7.611 ( -2.680 0.000 3.020) 4.038 7.711 ( -18.982 0.000 -0.256) 18.984 8.000 ( 3.384 0.000 -0.411) 3.409 8.012 ( -5.056 0.000 -3.765) 6.304 8.035 ( -9.937 0.000 -3.242) 10.452 8.112 ( 5.286 0.000 2.474) 5.836 8.261 ( 2.088 0.000 1.416) 2.523 8.393 ( 0.315 0.000 5.011) 5.021 8.547 ( 3.065 0.000 -2.716) 4.095 8.621 ( -3.149 0.000 2.496) 4.018 8.728 ( 12.552 0.000 -1.551) 12.648 8.757 ( -0.494 0.000 0.835) 0.970 8.846 ( 2.774 0.000 -0.136) 2.778 9.732 ( 3.803 0.000 -1.607) 4.128 9.869 ( 2.576 0.000 -1.746) 3.112 9.910 ( 5.775 0.000 -3.697) 6.857 9.920 ( -3.044 0.000 4.272) 5.245 10.092 ( -21.742 0.000 0.700) 21.754 10.191 ( -10.475 0.000 8.830) 13.700 10.228 ( -21.768 0.000 3.691) 22.079 10.261 ( -7.366 0.000 -5.670) 9.295 10.635 ( -5.413 0.000 -3.086) 6.231 10.646 ( -0.344 0.000 -1.552) 1.590 10.721 ( 5.861 0.000 3.334) 6.743 11.066 ( 31.906 0.000 -4.385) 32.206 11.198 ( -0.761 0.000 -0.627) 0.986 11.261 ( -1.363 0.000 -5.141) 5.319 11.381 ( 1.536 0.000 3.565) 3.882 11.404 ( 1.341 0.000 2.058) 2.456 11.453 ( 1.263 0.000 5.139) 5.292 11.474 ( -0.696 0.000 1.506) 1.659 11.596 ( 2.261 0.000 2.367) 3.273 11.652 ( 0.917 0.000 -3.347) 3.471 11.809 ( -0.850 0.000 -0.203) 0.874 11.935 ( 2.965 0.000 -11.542) 11.917 11.968 ( 2.765 0.000 -4.928) 5.650 12.059 ( 1.554 0.000 -1.179) 1.951 12.340 ( 4.453 0.000 -0.443) 4.475 12.345 ( 4.113 0.000 -0.289) 4.123 12.459 ( -3.147 0.000 -7.076) 7.744 12.514 ( -0.805 0.000 4.051) 4.130 12.761 ( 1.975 0.000 0.790) 2.127 12.926 ( 2.193 0.000 6.138) 6.518 13.155 ( 0.365 0.000 13.149) 13.154 13.193 ( 2.711 0.000 6.263) 6.824 13.567 ( 0.420 0.000 -4.329) 4.350 13.649 ( 10.156 0.000 -18.227) 20.865 13.897 ( -3.152 0.000 9.561) 10.067 13.915 ( -4.667 0.000 2.560) 5.323 14.153 ( -3.067 0.000 -2.529) 3.976 14.324 ( 1.719 0.000 4.820) 5.118 14.489 ( -2.429 0.000 -0.061) 2.430 15.261 ( 17.339 0.000 -10.134) 20.083 15.980 ( -5.355 0.000 0.654) 5.395 16.032 ( -2.600 0.000 1.915) 3.229 16.094 ( 2.731 0.000 -0.758) 2.834 16.172 ( -1.747 0.000 -0.098) 1.749 16.412 ( -0.616 0.000 1.102) 1.263 16.576 ( -0.439 0.000 -2.182) 2.226 16.597 ( -0.901 0.000 -0.100) 0.907 16.663 ( -0.946 0.000 0.048) 0.948 17.223 ( -0.522 0.000 4.901) 4.928 17.458 ( -1.137 0.000 0.566) 1.270 17.510 ( -1.943 0.000 2.356) 3.053 17.583 ( 1.129 0.000 1.182) 1.635 18.970 ( 9.512 0.000 -1.087) 9.574 18.974 ( -4.204 0.000 -1.331) 4.410 19.020 ( -1.974 0.000 1.098) 2.259 19.035 ( 6.198 0.000 1.094) 6.294 20.464 ( -0.367 0.000 0.625) 0.725 20.666 ( -0.387 0.000 -3.805) 3.824 20.962 ( 1.465 0.000 3.220) 3.537 21.142 ( -7.900 0.000 -0.951) 7.957 21.966 ( 0.317 0.000 1.918) 1.944 22.203 ( -1.178 0.000 -1.725) 2.089 22.390 ( 2.570 0.000 2.283) 3.438 22.530 ( -0.341 0.000 0.192) 0.392 22.556 ( -0.311 0.000 -0.197) 0.368 22.612 ( -13.721 0.000 0.362) 13.725 22.780 ( 0.804 0.000 -0.487) 0.940 22.814 ( 2.276 0.000 -2.901) 3.687 27.262 ( -0.869 0.000 1.487) 1.722 27.351 ( 0.497 0.000 -0.107) 0.508 27.367 ( -10.579 0.000 1.545) 10.691 27.513 ( 0.816 0.000 -0.654) 1.046 28.701 ( -1.869 0.000 2.413) 3.052 28.876 ( 1.197 0.000 -0.868) 1.478 29.018 ( -28.193 0.000 2.788) 28.330 29.484 ( 3.267 0.000 -4.858) 5.855 30.254 ( -0.378 0.000 -0.563) 0.678 30.281 ( 1.331 0.000 -0.713) 1.510 30.315 ( -4.288 0.000 1.368) 4.501 30.496 ( 28.491 0.000 -1.756) 28.545 30.727 ( -2.630 0.000 3.667) 4.512 31.090 ( 3.058 0.000 -3.508) 4.654 31.730 ( -0.002 0.000 5.177) 5.177 32.249 ( -0.732 0.000 -4.207) 4.270 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 16.964 0.000 21.567) 27.439 1.046 ( 33.580 0.000 13.379) 36.147 1.540 ( 3.406 0.000 44.974) 45.102 1.836 ( 14.450 0.000 -8.606) 16.819 1.940 ( 6.968 0.000 -5.023) 8.590 1.967 ( 1.252 0.000 -7.374) 7.480 2.134 ( 1.406 0.000 -4.283) 4.508 2.197 ( 3.736 0.000 16.445) 16.864 2.294 ( -1.710 0.000 0.610) 1.816 2.465 ( -1.465 0.000 3.753) 4.029 2.466 ( 6.900 0.000 8.544) 10.982 2.694 ( 7.800 0.000 3.404) 8.510 2.790 ( 5.131 0.000 3.459) 6.188 2.880 ( -7.011 0.000 0.386) 7.022 2.918 ( 6.625 0.000 -2.817) 7.199 3.033 ( -2.195 0.000 5.165) 5.612 3.152 ( 3.239 0.000 5.350) 6.255 3.195 ( 1.363 0.000 -2.425) 2.781 3.212 ( 3.856 0.000 0.583) 3.900 3.428 ( 2.637 0.000 -3.119) 4.084 3.434 ( 2.365 0.000 -0.284) 2.382 3.492 ( -2.449 0.000 -4.806) 5.394 3.528 ( 2.730 0.000 -2.809) 3.917 3.544 ( -5.918 0.000 -1.171) 6.033 3.684 ( 5.040 0.000 -10.114) 11.301 3.811 ( -0.050 0.000 5.973) 5.973 3.814 ( -1.307 0.000 3.939) 4.150 3.909 ( -6.281 0.000 -2.745) 6.854 3.946 ( 5.248 0.000 -5.002) 7.250 4.087 ( 1.524 0.000 2.217) 2.690 4.172 ( -3.249 0.000 -3.345) 4.663 4.174 ( 5.400 0.000 1.539) 5.615 4.285 ( -1.239 0.000 4.418) 4.588 4.570 ( -8.623 0.000 -7.574) 11.477 4.662 ( 3.091 0.000 2.852) 4.205 4.745 ( 0.395 0.000 2.873) 2.900 4.758 ( -1.203 0.000 -1.313) 1.781 4.825 ( -2.138 0.000 -3.170) 3.824 4.825 ( 3.880 0.000 -3.972) 5.552 5.009 ( -3.172 0.000 0.545) 3.218 5.087 ( 4.784 0.000 -1.515) 5.018 5.117 ( -7.904 0.000 1.460) 8.037 5.148 ( -1.493 0.000 -6.510) 6.679 5.236 ( 1.519 0.000 -2.127) 2.614 5.281 ( -4.101 0.000 -2.065) 4.591 5.324 ( 3.112 0.000 4.225) 5.247 5.370 ( -3.555 0.000 2.910) 4.594 5.434 ( 2.238 0.000 -3.657) 4.287 5.536 ( -4.385 0.000 -0.144) 4.388 5.547 ( -2.872 0.000 -0.980) 3.035 5.609 ( -3.612 0.000 1.512) 3.915 5.666 ( 1.631 0.000 -1.570) 2.264 5.706 ( -1.140 0.000 -1.142) 1.613 5.791 ( 4.671 0.000 -3.693) 5.954 5.992 ( 7.775 0.000 4.392) 8.930 6.092 ( -1.839 0.000 -5.476) 5.776 6.117 ( -0.173 0.000 -3.084) 3.089 6.123 ( 0.599 0.000 -5.660) 5.692 6.325 ( 2.390 0.000 -4.549) 5.138 6.371 ( 3.198 0.000 -2.469) 4.040 6.661 ( -0.289 0.000 5.270) 5.278 6.792 ( 2.958 0.000 -0.308) 2.974 6.866 ( 3.300 0.000 4.411) 5.509 6.935 ( 1.316 0.000 -2.552) 2.871 6.997 ( -1.425 0.000 1.230) 1.883 7.074 ( -11.228 0.000 7.060) 13.263 7.185 ( -3.529 0.000 -2.401) 4.268 7.190 ( -1.040 0.000 -1.210) 1.596 7.258 ( -4.320 0.000 -1.630) 4.618 7.340 ( 4.879 0.000 -1.772) 5.190 7.445 ( -5.549 0.000 3.964) 6.819 7.455 ( 1.750 0.000 -0.259) 1.769 7.644 ( 0.550 0.000 9.946) 9.961 7.845 ( -6.525 0.000 -2.994) 7.179 7.960 ( -1.694 0.000 -2.963) 3.414 8.106 ( 7.270 0.000 -0.180) 7.272 8.156 ( -1.399 0.000 1.363) 1.954 8.267 ( -4.241 0.000 3.036) 5.215 8.425 ( -1.732 0.000 2.758) 3.257 8.509 ( -4.532 0.000 -1.970) 4.942 8.563 ( -4.683 0.000 1.503) 4.919 8.682 ( -5.485 0.000 -4.755) 7.259 8.754 ( -1.097 0.000 1.908) 2.201 8.889 ( -2.107 0.000 0.033) 2.107 9.825 ( -3.765 0.000 0.992) 3.893 9.838 ( 6.431 0.000 -0.342) 6.440 9.917 ( 2.892 0.000 -0.042) 2.892 9.928 ( -0.685 0.000 2.816) 2.898 9.960 ( 2.364 0.000 -3.809) 4.483 10.053 ( -5.572 0.000 -2.626) 6.160 10.135 ( -4.320 0.000 3.525) 5.576 10.211 ( -0.736 0.000 5.576) 5.624 10.534 ( -4.656 0.000 -1.335) 4.843 10.655 ( 2.740 0.000 -0.153) 2.745 10.826 ( 4.390 0.000 -1.439) 4.620 11.182 ( 0.163 0.000 1.071) 1.083 11.207 ( 0.447 0.000 2.510) 2.549 11.330 ( 2.858 0.000 -4.657) 5.464 11.404 ( -1.556 0.000 1.173) 1.949 11.431 ( 3.735 0.000 0.767) 3.813 11.522 ( -1.952 0.000 2.162) 2.913 11.563 ( 4.838 0.000 4.349) 6.505 11.648 ( 1.332 0.000 -2.644) 2.960 11.752 ( 15.656 0.000 -15.608) 22.107 11.790 ( -0.204 0.000 -1.532) 1.546 11.936 ( 9.752 0.000 -8.439) 12.896 12.002 ( 1.927 0.000 2.386) 3.067 12.035 ( -1.348 0.000 -1.650) 2.130 12.294 ( -8.583 0.000 -0.967) 8.637 12.397 ( 4.429 0.000 -9.594) 10.567 12.438 ( 4.490 0.000 -1.788) 4.833 12.551 ( 2.268 0.000 3.624) 4.275 12.828 ( 3.548 0.000 1.911) 4.030 13.006 ( 0.983 0.000 4.013) 4.131 13.245 ( -2.416 0.000 7.483) 7.863 13.263 ( -2.332 0.000 15.521) 15.695 13.524 ( 0.584 0.000 -6.578) 6.604 13.653 ( 7.033 0.000 -19.005) 20.265 13.827 ( -6.708 0.000 0.812) 6.757 13.932 ( -2.210 0.000 8.531) 8.813 14.060 ( 1.713 0.000 -8.508) 8.679 14.377 ( -1.328 0.000 7.374) 7.492 14.450 ( -1.604 0.000 -0.397) 1.652 15.031 ( -20.475 0.000 3.616) 20.792 15.959 ( 0.927 0.000 -1.306) 1.601 16.102 ( 4.864 0.000 -0.551) 4.896 16.138 ( 0.081 0.000 1.376) 1.378 16.158 ( 2.739 0.000 -1.704) 3.225 16.420 ( 0.135 0.000 1.220) 1.228 16.552 ( -0.634 0.000 -1.692) 1.807 16.584 ( -0.145 0.000 -0.188) 0.237 16.657 ( 0.161 0.000 0.148) 0.219 17.235 ( -3.020 0.000 5.748) 6.493 17.413 ( -3.519 0.000 -0.579) 3.566 17.472 ( -3.914 0.000 1.650) 4.247 17.492 ( -7.905 0.000 7.102) 10.627 18.991 ( 6.594 0.000 0.100) 6.595 19.043 ( 6.173 0.000 -1.042) 6.261 19.226 ( 13.170 0.000 0.747) 13.191 19.419 ( 31.931 0.000 -18.872) 37.091 20.443 ( -2.813 0.000 0.833) 2.934 20.602 ( -2.896 0.000 -3.649) 4.659 20.911 ( -16.097 0.000 6.446) 17.339 20.991 ( -1.897 0.000 3.577) 4.048 21.995 ( 0.742 0.000 2.769) 2.866 22.147 ( -2.644 0.000 -2.476) 3.622 22.424 ( -7.291 0.000 2.670) 7.765 22.474 ( 3.185 0.000 4.154) 5.234 22.526 ( -0.310 0.000 0.411) 0.515 22.565 ( 0.355 0.000 0.170) 0.394 22.777 ( -0.695 0.000 -0.515) 0.865 22.796 ( -1.631 0.000 -4.422) 4.713 27.258 ( -1.035 0.000 1.627) 1.928 27.288 ( -2.730 0.000 3.883) 4.746 27.364 ( 0.988 0.000 0.038) 0.989 27.515 ( -0.081 0.000 -0.377) 0.385 28.676 ( -2.838 0.000 2.051) 3.502 28.793 ( -7.509 0.000 7.564) 10.658 28.897 ( 1.704 0.000 -0.396) 1.749 29.450 ( -2.882 0.000 -3.292) 4.375 30.244 ( 0.027 0.000 -0.731) 0.731 30.319 ( 3.067 0.000 -0.014) 3.067 30.321 ( 4.850 0.000 -1.184) 4.992 30.701 ( -2.887 0.000 2.780) 4.007 30.907 ( 22.262 0.000 -11.071) 24.863 31.123 ( 3.525 0.000 -2.465) 4.301 31.750 ( -3.651 0.000 6.080) 7.091 32.019 ( -15.764 0.000 2.245) 15.923 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 19.574 0.000 15.643) 25.056 1.622 ( 14.023 0.000 20.078) 24.490 1.845 ( -4.688 0.000 9.445) 10.545 2.025 ( 6.181 0.000 3.062) 6.898 2.089 ( 15.928 0.000 -9.019) 18.304 2.158 ( 23.391 0.000 -7.489) 24.560 2.167 ( 13.365 0.000 -2.494) 13.596 2.402 ( 4.676 0.000 12.077) 12.951 2.428 ( 14.186 0.000 8.411) 16.491 2.502 ( -1.159 0.000 8.929) 9.004 2.598 ( 1.539 0.000 1.997) 2.521 2.738 ( -6.072 0.000 -1.066) 6.165 2.872 ( 9.504 0.000 0.618) 9.524 2.877 ( 3.478 0.000 -0.629) 3.534 2.964 ( -0.004 0.000 -0.732) 0.732 3.013 ( -6.215 0.000 4.413) 7.623 3.185 ( 2.238 0.000 -1.007) 2.454 3.242 ( -1.241 0.000 -1.903) 2.272 3.291 ( 3.286 0.000 3.077) 4.501 3.361 ( -6.998 0.000 -4.706) 8.433 3.362 ( -3.148 0.000 -4.657) 5.621 3.388 ( 1.051 0.000 -0.879) 1.370 3.549 ( 2.403 0.000 1.487) 2.826 3.559 ( 3.099 0.000 -3.377) 4.584 3.680 ( 3.188 0.000 -6.549) 7.284 3.729 ( -9.807 0.000 -2.743) 10.184 3.911 ( 8.960 0.000 0.059) 8.960 3.933 ( 6.581 0.000 5.037) 8.287 3.975 ( 0.561 0.000 -4.406) 4.441 4.129 ( 0.018 0.000 4.908) 4.908 4.161 ( 3.366 0.000 0.187) 3.371 4.207 ( -2.067 0.000 -1.764) 2.718 4.297 ( -4.969 0.000 7.511) 9.005 4.407 ( -0.852 0.000 -5.060) 5.131 4.650 ( -1.790 0.000 0.226) 1.804 4.676 ( -9.221 0.000 -2.692) 9.606 4.783 ( 1.191 0.000 -1.995) 2.324 4.804 ( 5.432 0.000 -0.950) 5.515 4.935 ( 1.787 0.000 0.441) 1.841 4.973 ( -2.605 0.000 -0.965) 2.778 5.000 ( -0.788 0.000 0.098) 0.794 5.009 ( -2.288 0.000 -9.279) 9.557 5.154 ( -7.176 0.000 1.274) 7.289 5.157 ( 0.958 0.000 -1.121) 1.475 5.265 ( 2.667 0.000 1.783) 3.208 5.335 ( -4.117 0.000 0.237) 4.124 5.352 ( -2.212 0.000 1.296) 2.564 5.403 ( -2.420 0.000 -3.222) 4.029 5.463 ( -3.486 0.000 5.173) 6.238 5.483 ( -2.028 0.000 -2.498) 3.218 5.569 ( -0.646 0.000 1.448) 1.586 5.701 ( 0.372 0.000 -1.376) 1.425 5.736 ( 5.503 0.000 1.535) 5.713 5.790 ( -2.107 0.000 -1.618) 2.657 6.019 ( -2.094 0.000 -1.656) 2.669 6.066 ( -0.027 0.000 -5.953) 5.953 6.074 ( 0.751 0.000 -4.921) 4.978 6.135 ( 3.065 0.000 2.474) 3.938 6.345 ( 3.439 0.000 -3.902) 5.201 6.386 ( 1.410 0.000 -4.759) 4.964 6.697 ( 0.424 0.000 2.100) 2.142 6.836 ( 3.269 0.000 -0.642) 3.331 6.911 ( -3.933 0.000 -0.297) 3.944 6.950 ( 2.136 0.000 3.258) 3.896 6.973 ( -3.846 0.000 4.985) 6.296 6.981 ( -1.035 0.000 -0.557) 1.175 7.092 ( -2.371 0.000 -2.444) 3.405 7.175 ( -0.334 0.000 0.176) 0.377 7.284 ( 4.417 0.000 5.093) 6.742 7.405 ( 4.032 0.000 -3.502) 5.340 7.480 ( 2.312 0.000 -1.158) 2.586 7.483 ( 4.911 0.000 1.138) 5.041 7.709 ( -4.397 0.000 -4.734) 6.461 7.762 ( -0.121 0.000 12.546) 12.546 7.927 ( -1.100 0.000 1.291) 1.696 8.100 ( -5.956 0.000 -0.004) 5.956 8.157 ( -9.554 0.000 1.224) 9.632 8.193 ( 2.102 0.000 -1.899) 2.833 8.354 ( -5.539 0.000 -1.979) 5.882 8.396 ( -6.620 0.000 0.831) 6.672 8.511 ( -1.052 0.000 0.111) 1.058 8.564 ( -4.122 0.000 -1.231) 4.302 8.742 ( -2.321 0.000 1.755) 2.910 8.793 ( -7.696 0.000 -0.405) 7.707 9.806 ( 0.962 0.000 -0.295) 1.006 9.887 ( -4.185 0.000 3.113) 5.216 9.908 ( -1.007 0.000 -2.503) 2.698 9.963 ( 5.553 0.000 0.036) 5.553 9.985 ( 3.633 0.000 -5.441) 6.542 10.034 ( 3.637 0.000 0.037) 3.637 10.145 ( 0.174 0.000 4.688) 4.691 10.245 ( -1.132 0.000 5.253) 5.374 10.449 ( -2.952 0.000 -1.266) 3.212 10.753 ( 6.656 0.000 3.134) 7.357 10.844 ( -0.105 0.000 -2.078) 2.080 11.198 ( 0.078 0.000 2.860) 2.861 11.265 ( 1.857 0.000 5.531) 5.834 11.351 ( 3.135 0.000 -3.749) 4.887 11.368 ( -2.862 0.000 -0.519) 2.909 11.459 ( -0.181 0.000 -4.944) 4.947 11.464 ( -5.504 0.000 2.524) 6.055 11.648 ( 1.674 0.000 -2.421) 2.944 11.710 ( 6.117 0.000 5.994) 8.564 11.771 ( 3.451 0.000 -9.801) 10.391 11.799 ( 2.139 0.000 -0.408) 2.177 11.949 ( -0.807 0.000 -4.781) 4.848 12.056 ( -0.348 0.000 4.052) 4.067 12.144 ( -4.448 0.000 -2.887) 5.303 12.149 ( 12.148 0.000 -5.312) 13.258 12.367 ( 0.720 0.000 -6.644) 6.683 12.475 ( 3.768 0.000 -2.234) 4.381 12.636 ( 3.642 0.000 1.351) 3.885 12.898 ( 2.905 0.000 0.228) 2.914 13.025 ( -0.565 0.000 0.164) 0.589 13.272 ( -3.539 0.000 10.278) 10.871 13.345 ( -4.531 0.000 15.070) 15.737 13.482 ( 2.104 0.000 -8.069) 8.339 13.551 ( -0.357 0.000 -14.474) 14.478 13.708 ( -4.591 0.000 -3.113) 5.547 13.952 ( -4.198 0.000 7.469) 8.568 14.058 ( 8.898 0.000 -16.909) 19.107 14.438 ( -0.092 0.000 2.064) 2.066 14.441 ( -0.395 0.000 11.707) 11.714 14.756 ( -14.283 0.000 2.844) 14.563 15.961 ( 0.455 0.000 -0.914) 1.021 16.136 ( 0.238 0.000 -0.550) 0.599 16.167 ( 2.873 0.000 -0.157) 2.877 16.215 ( 3.126 0.000 0.421) 3.154 16.432 ( -0.088 0.000 1.254) 1.257 16.530 ( -0.409 0.000 -0.919) 1.005 16.595 ( 0.955 0.000 0.844) 1.275 16.664 ( 0.197 0.000 0.539) 0.574 17.230 ( -2.240 0.000 4.043) 4.622 17.344 ( -3.101 0.000 -0.837) 3.212 17.411 ( -3.764 0.000 0.462) 3.792 17.436 ( -5.980 0.000 6.544) 8.865 19.184 ( 12.771 0.000 2.040) 12.933 19.198 ( 11.992 0.000 -1.730) 12.116 19.480 ( 14.588 0.000 -0.246) 14.590 19.730 ( 22.118 0.000 -15.654) 27.097 20.381 ( -5.234 0.000 1.405) 5.420 20.502 ( -5.013 0.000 -2.820) 5.752 20.719 ( -12.306 0.000 6.359) 13.852 20.955 ( -5.020 0.000 2.372) 5.552 22.041 ( 1.432 0.000 2.933) 3.264 22.077 ( -2.591 0.000 -2.277) 3.449 22.340 ( -4.341 0.000 0.075) 4.342 22.525 ( -0.289 0.000 0.586) 0.653 22.566 ( 2.507 0.000 4.531) 5.178 22.573 ( 0.390 0.000 -0.060) 0.395 22.712 ( -3.460 0.000 -2.578) 4.315 22.744 ( -2.160 0.000 -1.307) 2.524 27.258 ( -0.518 0.000 1.444) 1.534 27.286 ( -1.219 0.000 2.805) 3.059 27.384 ( 1.278 0.000 -0.142) 1.286 27.503 ( -0.942 0.000 -0.407) 1.026 28.652 ( -1.801 0.000 1.841) 2.575 28.764 ( -3.386 0.000 5.424) 6.395 28.925 ( 1.776 0.000 -0.497) 1.844 29.346 ( -5.341 0.000 -2.200) 5.776 30.245 ( 0.702 0.000 -0.485) 0.853 30.378 ( 3.133 0.000 0.153) 3.137 30.442 ( 8.784 0.000 -0.788) 8.819 30.673 ( -2.718 0.000 2.572) 3.741 31.140 ( 14.765 0.000 -8.927) 17.254 31.164 ( 3.205 0.000 -2.270) 3.927 31.710 ( -5.987 0.000 4.717) 7.622 31.798 ( -10.929 0.000 1.320) 11.008 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -10.836 0.000 -4.491) 11.730 1.835 ( 13.618 0.000 8.345) 15.971 1.940 ( 2.777 0.000 18.205) 18.416 2.144 ( 2.010 0.000 4.559) 4.983 2.201 ( 10.181 0.000 -9.832) 14.153 2.371 ( 2.165 0.000 -10.322) 10.547 2.450 ( 11.198 0.000 2.937) 11.577 2.555 ( 4.989 0.000 5.159) 7.177 2.556 ( 0.046 0.000 10.539) 10.539 2.627 ( 2.561 0.000 2.714) 3.732 2.698 ( 3.339 0.000 -2.141) 3.967 2.831 ( 10.036 0.000 -0.243) 10.039 2.921 ( 1.790 0.000 -0.996) 2.048 2.931 ( -4.335 0.000 7.678) 8.818 2.953 ( 9.227 0.000 2.096) 9.462 3.010 ( 4.609 0.000 -2.320) 5.160 3.149 ( -4.723 0.000 -4.530) 6.544 3.185 ( -5.279 0.000 -5.875) 7.898 3.244 ( 2.575 0.000 1.571) 3.017 3.311 ( 2.674 0.000 -3.191) 4.163 3.342 ( 2.685 0.000 -0.153) 2.689 3.434 ( -4.383 0.000 0.806) 4.456 3.520 ( -4.377 0.000 -3.301) 5.483 3.605 ( 6.863 0.000 0.061) 6.864 3.648 ( 5.687 0.000 -0.991) 5.773 3.719 ( 3.969 0.000 -0.755) 4.040 3.923 ( 1.391 0.000 0.118) 1.396 3.977 ( -10.705 0.000 2.586) 11.013 4.097 ( 5.096 0.000 -6.030) 7.895 4.154 ( 2.127 0.000 2.384) 3.195 4.157 ( -5.378 0.000 6.032) 8.082 4.228 ( 6.175 0.000 -0.404) 6.188 4.233 ( -1.179 0.000 -1.458) 1.875 4.420 ( -1.223 0.000 -3.955) 4.140 4.532 ( 1.918 0.000 1.548) 2.465 4.621 ( -3.304 0.000 2.698) 4.266 4.772 ( -0.909 0.000 -4.177) 4.275 4.833 ( -5.303 0.000 0.682) 5.346 4.854 ( -4.657 0.000 -4.898) 6.759 4.902 ( -3.455 0.000 4.793) 5.908 4.937 ( -3.417 0.000 0.470) 3.449 4.989 ( 4.197 0.000 -2.920) 5.113 5.109 ( -0.798 0.000 -5.094) 5.157 5.197 ( 4.087 0.000 2.153) 4.620 5.239 ( -2.749 0.000 -3.033) 4.094 5.276 ( -3.992 0.000 -4.686) 6.156 5.329 ( 1.732 0.000 1.813) 2.507 5.359 ( -2.128 0.000 2.633) 3.385 5.445 ( 2.563 0.000 -3.655) 4.464 5.483 ( -3.121 0.000 4.198) 5.231 5.625 ( 1.385 0.000 5.959) 6.118 5.711 ( -4.489 0.000 0.484) 4.515 5.728 ( 4.450 0.000 2.093) 4.918 5.813 ( 1.487 0.000 -1.696) 2.256 5.935 ( -6.281 0.000 0.506) 6.302 6.063 ( 4.478 0.000 -6.465) 7.865 6.080 ( 1.945 0.000 0.636) 2.046 6.162 ( -1.150 0.000 0.562) 1.280 6.352 ( 1.575 0.000 -4.711) 4.968 6.368 ( 3.419 0.000 -4.245) 5.451 6.711 ( 0.493 0.000 -0.581) 0.762 6.846 ( -3.521 0.000 2.331) 4.223 6.912 ( 4.494 0.000 1.960) 4.903 6.949 ( -0.986 0.000 -2.147) 2.363 6.991 ( -0.324 0.000 1.694) 1.725 6.995 ( 1.644 0.000 2.057) 2.633 7.074 ( 0.826 0.000 -0.565) 1.000 7.180 ( -0.035 0.000 1.958) 1.959 7.404 ( 2.791 0.000 1.555) 3.195 7.417 ( 1.960 0.000 -4.668) 5.063 7.500 ( 1.602 0.000 -3.810) 4.133 7.585 ( 5.932 0.000 -2.646) 6.495 7.654 ( 0.660 0.000 3.390) 3.453 7.826 ( -3.921 0.000 8.799) 9.633 7.930 ( -8.944 0.000 -0.698) 8.972 7.940 ( -1.648 0.000 0.906) 1.881 7.999 ( -7.725 0.000 0.473) 7.740 8.163 ( -1.819 0.000 -1.312) 2.243 8.267 ( -2.365 0.000 -0.712) 2.470 8.304 ( -4.276 0.000 0.425) 4.297 8.503 ( -2.054 0.000 0.361) 2.086 8.524 ( 2.303 0.000 -1.588) 2.797 8.643 ( -7.234 0.000 -1.299) 7.350 8.704 ( -3.268 0.000 1.224) 3.490 9.833 ( 2.118 0.000 -0.967) 2.328 9.856 ( -1.491 0.000 -1.713) 2.271 9.888 ( -0.515 0.000 5.812) 5.835 9.976 ( -0.740 0.000 -2.634) 2.736 10.049 ( 4.023 0.000 -0.207) 4.028 10.108 ( 3.492 0.000 -0.714) 3.564 10.203 ( 1.569 0.000 5.001) 5.241 10.261 ( -1.736 0.000 4.443) 4.770 10.431 ( 1.105 0.000 1.472) 1.841 10.814 ( -1.478 0.000 0.238) 1.497 10.923 ( 7.684 0.000 4.175) 8.745 11.215 ( -2.142 0.000 0.850) 2.304 11.266 ( -5.000 0.000 -1.849) 5.331 11.309 ( -2.469 0.000 -1.473) 2.875 11.379 ( 2.151 0.000 -2.939) 3.642 11.412 ( -2.394 0.000 2.353) 3.357 11.424 ( 2.142 0.000 2.518) 3.306 11.655 ( 1.105 0.000 -2.069) 2.346 11.753 ( 1.891 0.000 -3.687) 4.143 11.805 ( -2.473 0.000 3.096) 3.962 11.840 ( 2.994 0.000 -1.197) 3.225 11.908 ( -0.165 0.000 -1.212) 1.223 12.036 ( -0.995 0.000 0.945) 1.372 12.132 ( 2.822 0.000 -3.694) 4.649 12.240 ( 5.429 0.000 -8.140) 9.784 12.339 ( 0.228 0.000 1.514) 1.531 12.555 ( 6.306 0.000 -2.962) 6.967 12.701 ( 2.631 0.000 2.476) 3.612 12.930 ( 1.479 0.000 -2.140) 2.601 13.002 ( -0.926 0.000 -2.197) 2.384 13.270 ( -6.932 0.000 7.210) 10.002 13.324 ( -9.293 0.000 5.004) 10.554 13.436 ( 2.803 0.000 -13.010) 13.308 13.451 ( 4.539 0.000 -10.118) 11.090 13.668 ( 2.240 0.000 0.120) 2.244 13.911 ( -6.934 0.000 6.378) 9.421 14.051 ( 7.638 0.000 -16.658) 18.325 14.486 ( 0.806 0.000 6.588) 6.637 14.539 ( -4.720 0.000 -0.365) 4.734 14.580 ( -3.471 0.000 11.597) 12.105 15.960 ( 0.306 0.000 -0.800) 0.856 16.136 ( 0.648 0.000 -1.678) 1.799 16.203 ( 1.018 0.000 0.577) 1.170 16.263 ( 1.426 0.000 1.009) 1.747 16.442 ( -0.219 0.000 1.848) 1.861 16.524 ( 0.117 0.000 0.137) 0.180 16.622 ( 0.555 0.000 1.496) 1.595 16.672 ( -0.105 0.000 0.855) 0.861 17.229 ( -0.995 0.000 1.993) 2.228 17.296 ( -1.394 0.000 -0.791) 1.603 17.361 ( -1.888 0.000 0.263) 1.907 17.387 ( -5.468 0.000 5.149) 7.511 19.404 ( 11.390 0.000 -1.118) 11.445 19.420 ( 9.610 0.000 2.253) 9.871 19.720 ( 11.602 0.000 0.784) 11.628 19.961 ( 17.395 0.000 -10.254) 20.192 20.292 ( -6.044 0.000 2.090) 6.395 20.386 ( -5.021 0.000 -1.682) 5.295 20.580 ( -9.775 0.000 6.399) 11.683 20.869 ( -5.404 0.000 0.349) 5.416 22.026 ( -1.017 0.000 -1.274) 1.630 22.087 ( 0.740 0.000 1.768) 1.916 22.272 ( -2.540 0.000 -0.363) 2.566 22.523 ( -0.550 0.000 0.626) 0.833 22.580 ( 0.685 0.000 -0.231) 0.723 22.638 ( 1.638 0.000 3.088) 3.496 22.645 ( -2.306 0.000 -0.588) 2.380 22.680 ( -2.988 0.000 -2.433) 3.853 27.263 ( -0.387 0.000 1.396) 1.449 27.290 ( -1.009 0.000 2.586) 2.776 27.404 ( 1.259 0.000 -0.600) 1.395 27.477 ( -1.247 0.000 -0.639) 1.401 28.644 ( -1.018 0.000 2.033) 2.274 28.756 ( -2.606 0.000 4.694) 5.369 28.948 ( 1.424 0.000 -1.110) 1.806 29.245 ( -3.516 0.000 -1.774) 3.938 30.257 ( 0.754 0.000 0.134) 0.766 30.420 ( 1.498 0.000 -0.389) 1.547 30.585 ( 6.239 0.000 1.284) 6.370 30.654 ( -1.948 0.000 2.657) 3.294 31.188 ( 2.007 0.000 -3.049) 3.650 31.285 ( 9.617 0.000 -6.778) 11.766 31.637 ( -5.168 0.000 2.051) 5.560 31.652 ( -5.974 0.000 -0.682) 6.013 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -16.190 0.000 -4.209) 16.728 1.943 ( -11.342 0.000 -0.184) 11.344 2.048 ( -2.829 0.000 6.423) 7.018 2.062 ( -6.784 0.000 -2.924) 7.388 2.264 ( 6.231 0.000 -8.187) 10.288 2.312 ( 1.777 0.000 -5.573) 5.849 2.534 ( -3.133 0.000 5.731) 6.532 2.599 ( 0.407 0.000 -0.076) 0.414 2.705 ( 4.908 0.000 5.439) 7.326 2.733 ( 4.957 0.000 1.770) 5.263 2.738 ( 2.467 0.000 0.252) 2.479 2.838 ( -6.169 0.000 10.209) 11.928 2.878 ( -11.293 0.000 0.013) 11.293 2.931 ( 1.625 0.000 -0.279) 1.649 3.051 ( -0.065 0.000 -9.210) 9.210 3.060 ( 4.536 0.000 3.752) 5.887 3.158 ( 5.527 0.000 1.590) 5.751 3.234 ( 9.251 0.000 0.143) 9.252 3.240 ( -5.490 0.000 -5.667) 7.890 3.281 ( -4.029 0.000 0.023) 4.029 3.354 ( 1.143 0.000 -6.744) 6.840 3.429 ( 1.331 0.000 1.475) 1.986 3.444 ( -2.043 0.000 1.303) 2.423 3.689 ( 2.426 0.000 -0.990) 2.620 3.741 ( 0.431 0.000 -2.667) 2.702 3.780 ( 2.911 0.000 5.701) 6.401 3.872 ( 2.009 0.000 2.235) 3.006 3.938 ( -4.760 0.000 1.484) 4.986 3.992 ( -11.176 0.000 3.621) 11.748 4.045 ( 0.150 0.000 -6.203) 6.205 4.181 ( 0.394 0.000 -2.898) 2.924 4.277 ( 5.821 0.000 -4.933) 7.630 4.364 ( -0.083 0.000 3.592) 3.593 4.411 ( 8.124 0.000 0.568) 8.144 4.588 ( -5.770 0.000 8.030) 9.888 4.672 ( 3.910 0.000 3.200) 5.052 4.693 ( 1.994 0.000 -4.140) 4.595 4.731 ( -2.484 0.000 -0.541) 2.542 4.761 ( -0.412 0.000 -2.749) 2.779 4.918 ( -0.912 0.000 5.084) 5.165 4.928 ( 2.079 0.000 2.790) 3.479 5.058 ( 5.438 0.000 -5.549) 7.769 5.075 ( 2.684 0.000 -7.120) 7.609 5.185 ( -6.945 0.000 -1.602) 7.128 5.198 ( 0.147 0.000 -3.272) 3.275 5.212 ( -0.473 0.000 -2.324) 2.371 5.318 ( 3.085 0.000 -1.050) 3.259 5.367 ( 0.233 0.000 1.627) 1.644 5.436 ( -2.212 0.000 0.526) 2.274 5.566 ( 8.197 0.000 2.449) 8.555 5.631 ( -4.761 0.000 4.099) 6.282 5.637 ( -6.493 0.000 1.442) 6.651 5.794 ( 1.372 0.000 -4.455) 4.662 5.815 ( -7.414 0.000 0.916) 7.471 5.884 ( 5.691 0.000 5.971) 8.248 6.084 ( 4.045 0.000 -5.365) 6.719 6.091 ( -0.224 0.000 -1.215) 1.236 6.154 ( -0.022 0.000 2.385) 2.385 6.399 ( 3.402 0.000 -2.660) 4.318 6.399 ( 4.071 0.000 0.490) 4.101 6.713 ( 1.269 0.000 -1.715) 2.134 6.826 ( -1.994 0.000 3.858) 4.343 6.917 ( 0.101 0.000 -2.147) 2.149 6.969 ( -2.629 0.000 -0.181) 2.635 7.004 ( 1.937 0.000 2.877) 3.468 7.033 ( 1.146 0.000 0.159) 1.157 7.082 ( -0.933 0.000 1.166) 1.493 7.200 ( -0.717 0.000 3.030) 3.114 7.384 ( -3.097 0.000 -2.309) 3.863 7.411 ( 2.849 0.000 -4.968) 5.726 7.465 ( -0.149 0.000 -5.982) 5.984 7.640 ( -4.543 0.000 -2.270) 5.078 7.713 ( 6.687 0.000 -2.740) 7.227 7.771 ( -2.605 0.000 4.004) 4.777 7.779 ( -6.959 0.000 3.228) 7.671 7.928 ( -0.665 0.000 1.313) 1.471 7.987 ( 1.162 0.000 4.901) 5.037 8.153 ( 1.468 0.000 0.178) 1.478 8.240 ( -0.063 0.000 -0.851) 0.854 8.257 ( -0.703 0.000 -0.974) 1.201 8.496 ( -0.327 0.000 0.876) 0.935 8.542 ( 2.035 0.000 -3.099) 3.707 8.571 ( 1.693 0.000 -0.222) 1.707 8.655 ( -3.071 0.000 0.968) 3.220 9.823 ( 1.526 0.000 -3.997) 4.278 9.879 ( 0.701 0.000 3.742) 3.807 9.915 ( -3.238 0.000 -1.655) 3.637 9.956 ( 1.377 0.000 5.990) 6.146 10.105 ( 1.844 0.000 1.313) 2.264 10.123 ( -0.337 0.000 -1.168) 1.215 10.270 ( -1.331 0.000 3.931) 4.151 10.282 ( 1.967 0.000 4.427) 4.844 10.490 ( 0.062 0.000 6.894) 6.894 10.828 ( 1.958 0.000 3.170) 3.725 11.004 ( -6.013 0.000 1.002) 6.096 11.157 ( 0.953 0.000 -0.615) 1.135 11.197 ( -1.085 0.000 -2.866) 3.064 11.217 ( -2.613 0.000 -4.921) 5.572 11.385 ( 0.735 0.000 -1.407) 1.587 11.405 ( -0.551 0.000 1.173) 1.296 11.531 ( 2.613 0.000 7.763) 8.191 11.646 ( 0.337 0.000 -3.338) 3.355 11.751 ( -4.106 0.000 0.428) 4.128 11.794 ( 4.428 0.000 0.946) 4.528 11.813 ( -1.757 0.000 -6.108) 6.356 11.933 ( 2.397 0.000 2.216) 3.265 12.040 ( -0.647 0.000 1.127) 1.300 12.137 ( 1.356 0.000 -2.092) 2.493 12.237 ( 3.705 0.000 -9.284) 9.996 12.428 ( 4.832 0.000 6.963) 8.475 12.581 ( -0.577 0.000 -2.679) 2.740 12.796 ( 3.075 0.000 4.907) 5.791 12.908 ( -0.321 0.000 -5.128) 5.138 12.953 ( -0.719 0.000 -5.336) 5.385 13.137 ( -9.298 0.000 -6.486) 11.337 13.170 ( -5.473 0.000 0.102) 5.474 13.415 ( 6.378 0.000 -13.263) 14.717 13.482 ( 6.732 0.000 -6.525) 9.375 13.729 ( 2.954 0.000 -1.275) 3.217 13.855 ( -5.809 0.000 9.819) 11.409 14.042 ( 5.679 0.000 -12.480) 13.711 14.382 ( -4.487 0.000 -7.694) 8.907 14.562 ( -0.911 0.000 9.460) 9.504 14.690 ( -2.236 0.000 14.807) 14.975 15.957 ( 0.138 0.000 -0.742) 0.755 16.124 ( 0.123 0.000 -2.646) 2.649 16.217 ( -0.038 0.000 0.814) 0.815 16.285 ( -0.043 0.000 1.182) 1.183 16.453 ( -0.760 0.000 2.276) 2.400 16.533 ( 0.267 0.000 0.946) 0.983 16.634 ( -0.728 0.000 1.440) 1.614 16.677 ( -0.306 0.000 1.218) 1.256 17.230 ( -0.042 0.000 0.323) 0.325 17.285 ( 0.744 0.000 -0.165) 0.762 17.336 ( -4.690 0.000 3.855) 6.071 17.352 ( 0.182 0.000 0.841) 0.860 19.500 ( -2.441 0.000 0.056) 2.441 19.530 ( 1.919 0.000 0.148) 1.925 19.859 ( -0.077 0.000 2.892) 2.893 20.163 ( 13.071 0.000 -6.589) 14.638 20.230 ( -1.754 0.000 1.684) 2.432 20.342 ( 2.497 0.000 -0.075) 2.498 20.491 ( -7.225 0.000 8.515) 11.167 20.796 ( -1.389 0.000 -1.709) 2.202 22.023 ( 1.332 0.000 0.012) 1.332 22.075 ( -2.215 0.000 -1.101) 2.473 22.269 ( 1.218 0.000 1.976) 2.321 22.518 ( -0.574 0.000 0.257) 0.629 22.589 ( 0.021 0.000 -0.346) 0.347 22.591 ( -3.342 0.000 -3.460) 4.810 22.630 ( 1.260 0.000 0.897) 1.546 22.689 ( 1.484 0.000 1.178) 1.895 27.268 ( -0.535 0.000 1.436) 1.532 27.299 ( -0.706 0.000 3.044) 3.125 27.411 ( 0.019 0.000 -1.154) 1.154 27.457 ( 0.097 0.000 -0.835) 0.840 28.651 ( -0.515 0.000 2.604) 2.654 28.755 ( -2.248 0.000 4.808) 5.308 28.949 ( 0.158 0.000 -1.890) 1.897 29.204 ( 0.988 0.000 -1.734) 1.996 30.272 ( 0.340 0.000 0.859) 0.924 30.421 ( -0.406 0.000 -1.319) 1.380 30.653 ( -1.113 0.000 3.176) 3.365 30.665 ( 0.231 0.000 3.169) 3.177 31.179 ( 0.778 0.000 -4.200) 4.271 31.363 ( 5.697 0.000 -6.261) 8.464 31.567 ( -2.655 0.000 -1.658) 3.131 31.578 ( -2.076 0.000 -0.176) 2.083 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -19.972 0.000 2.647) 20.147 1.558 ( -24.995 0.000 -1.927) 25.069 1.917 ( -6.941 0.000 -6.228) 9.325 2.013 ( -3.577 0.000 2.891) 4.599 2.258 ( -3.551 0.000 -1.741) 3.955 2.279 ( -0.496 0.000 0.025) 0.496 2.507 ( -4.362 0.000 4.055) 5.956 2.576 ( -10.354 0.000 -1.163) 10.419 2.656 ( 0.313 0.000 0.745) 0.808 2.720 ( -12.802 0.000 2.887) 13.124 2.757 ( -1.328 0.000 -1.028) 1.680 2.801 ( -7.196 0.000 -1.103) 7.280 2.846 ( -23.874 0.000 0.438) 23.878 2.889 ( 0.742 0.000 5.953) 5.999 2.970 ( 0.063 0.000 1.259) 1.260 3.021 ( 4.684 0.000 -7.691) 9.005 3.052 ( -8.143 0.000 -1.173) 8.227 3.204 ( 1.614 0.000 3.541) 3.891 3.245 ( 3.436 0.000 -4.589) 5.733 3.289 ( 0.354 0.000 1.170) 1.222 3.307 ( -1.485 0.000 3.272) 3.593 3.532 ( 7.567 0.000 -4.464) 8.785 3.568 ( 8.384 0.000 -1.767) 8.568 3.652 ( -4.164 0.000 0.674) 4.218 3.738 ( 2.432 0.000 -4.913) 5.482 3.746 ( -5.506 0.000 -5.610) 7.861 3.856 ( -7.219 0.000 7.093) 10.121 3.889 ( 0.081 0.000 -0.889) 0.892 3.956 ( -3.473 0.000 -0.368) 3.493 4.010 ( 5.809 0.000 2.094) 6.175 4.150 ( -0.896 0.000 -1.855) 2.060 4.255 ( -10.075 0.000 -2.974) 10.505 4.388 ( 6.929 0.000 -2.531) 7.377 4.557 ( 0.359 0.000 2.924) 2.946 4.560 ( -1.895 0.000 4.199) 4.607 4.727 ( 7.548 0.000 8.756) 11.560 4.745 ( 3.915 0.000 -0.126) 3.917 4.773 ( 5.998 0.000 0.186) 6.000 4.935 ( 13.932 0.000 -1.482) 14.010 4.957 ( 1.297 0.000 2.398) 2.727 4.999 ( -7.441 0.000 -5.180) 9.067 5.020 ( 1.877 0.000 -2.598) 3.205 5.076 ( 1.870 0.000 -4.273) 4.664 5.083 ( 6.779 0.000 -1.422) 6.926 5.160 ( -1.947 0.000 0.395) 1.987 5.216 ( 1.846 0.000 -0.611) 1.945 5.340 ( -1.814 0.000 -2.274) 2.909 5.416 ( 4.309 0.000 -0.066) 4.309 5.454 ( 0.762 0.000 2.634) 2.742 5.486 ( -5.002 0.000 -3.384) 6.039 5.549 ( -5.020 0.000 -2.070) 5.430 5.711 ( 4.383 0.000 1.389) 4.597 5.734 ( -1.795 0.000 2.496) 3.074 5.847 ( 5.395 0.000 2.431) 5.917 6.000 ( 1.740 0.000 5.136) 5.423 6.052 ( -2.421 0.000 -2.692) 3.621 6.121 ( 3.545 0.000 -1.526) 3.860 6.207 ( 2.490 0.000 2.451) 3.494 6.426 ( 1.487 0.000 -1.553) 2.150 6.435 ( 0.450 0.000 -2.774) 2.810 6.720 ( -0.391 0.000 -0.544) 0.669 6.841 ( -2.509 0.000 8.259) 8.631 6.902 ( -3.663 0.000 -1.917) 4.135 6.911 ( -0.749 0.000 -0.488) 0.894 7.003 ( -1.467 0.000 -1.852) 2.362 7.040 ( -2.115 0.000 -0.894) 2.296 7.068 ( 1.410 0.000 2.120) 2.546 7.200 ( -1.582 0.000 1.859) 2.441 7.309 ( -3.107 0.000 1.063) 3.284 7.401 ( 0.674 0.000 -6.185) 6.221 7.450 ( 2.322 0.000 -0.727) 2.433 7.484 ( -5.930 0.000 -4.238) 7.289 7.665 ( -6.774 0.000 1.137) 6.869 7.794 ( 2.525 0.000 -0.336) 2.548 7.852 ( 5.116 0.000 4.275) 6.667 7.984 ( 4.781 0.000 0.917) 4.868 8.054 ( 2.054 0.000 3.528) 4.082 8.209 ( 4.323 0.000 0.578) 4.362 8.243 ( 0.824 0.000 -4.403) 4.479 8.255 ( 3.486 0.000 -2.325) 4.190 8.526 ( 3.585 0.000 -0.011) 3.585 8.562 ( 2.790 0.000 -0.270) 2.803 8.617 ( -1.354 0.000 -0.356) 1.400 8.664 ( 6.312 0.000 1.565) 6.504 9.820 ( 1.467 0.000 -3.833) 4.104 9.850 ( -1.086 0.000 -3.182) 3.362 9.922 ( -0.374 0.000 4.943) 4.957 9.987 ( -2.733 0.000 0.665) 2.813 10.139 ( -0.819 0.000 4.144) 4.224 10.141 ( 2.137 0.000 4.939) 5.382 10.284 ( -1.184 0.000 3.875) 4.052 10.344 ( 0.857 0.000 4.281) 4.366 10.523 ( -4.604 0.000 9.337) 10.410 10.840 ( -10.169 0.000 0.741) 10.196 10.919 ( 2.964 0.000 3.754) 4.783 11.068 ( -3.187 0.000 -5.989) 6.784 11.166 ( 0.586 0.000 -0.769) 0.966 11.272 ( 6.271 0.000 -2.214) 6.650 11.368 ( -1.456 0.000 -0.482) 1.534 11.427 ( 1.449 0.000 2.230) 2.660 11.574 ( -5.751 0.000 -2.039) 6.102 11.590 ( -1.335 0.000 -3.743) 3.974 11.684 ( -2.700 0.000 -0.671) 2.782 11.756 ( 1.513 0.000 -0.379) 1.559 11.913 ( 6.306 0.000 2.097) 6.645 12.009 ( 2.580 0.000 2.921) 3.897 12.038 ( 0.222 0.000 0.660) 0.696 12.147 ( 0.542 0.000 -0.267) 0.604 12.229 ( 4.789 0.000 -8.101) 9.411 12.513 ( -5.124 0.000 0.336) 5.135 12.605 ( 7.171 0.000 7.965) 10.718 12.821 ( -2.651 0.000 -9.638) 9.996 12.822 ( -3.300 0.000 1.402) 3.586 12.900 ( -0.804 0.000 -3.638) 3.726 12.927 ( -6.193 0.000 -6.410) 8.913 13.160 ( 5.997 0.000 -2.062) 6.342 13.391 ( 5.763 0.000 -17.185) 18.125 13.550 ( 6.013 0.000 -5.354) 8.051 13.738 ( -0.342 0.000 2.451) 2.475 13.892 ( -0.644 0.000 7.703) 7.730 13.997 ( 3.065 0.000 -17.571) 17.836 14.277 ( -0.915 0.000 -3.598) 3.712 14.606 ( -3.787 0.000 9.262) 10.007 14.740 ( -6.470 0.000 13.460) 14.934 15.954 ( 0.203 0.000 -0.364) 0.416 16.096 ( -0.180 0.000 -3.001) 3.006 16.219 ( -0.524 0.000 0.747) 0.912 16.281 ( -1.543 0.000 1.094) 1.891 16.454 ( -1.316 0.000 2.028) 2.418 16.549 ( 0.441 0.000 1.366) 1.435 16.627 ( -1.285 0.000 1.507) 1.981 16.683 ( -0.476 0.000 1.734) 1.798 17.230 ( 0.406 0.000 -1.414) 1.471 17.292 ( -3.673 0.000 3.499) 5.073 17.319 ( 2.691 0.000 0.912) 2.841 17.377 ( 1.395 0.000 1.279) 1.892 19.362 ( -11.226 0.000 -0.546) 11.240 19.466 ( -9.050 0.000 1.664) 9.201 19.747 ( -13.128 0.000 1.103) 13.175 20.201 ( 0.182 0.000 -5.109) 5.112 20.323 ( 7.339 0.000 -2.682) 7.814 20.459 ( 7.929 0.000 1.506) 8.071 20.509 ( -0.612 0.000 12.859) 12.873 20.795 ( 3.126 0.000 -2.837) 4.222 22.017 ( -2.405 0.000 -1.574) 2.874 22.070 ( 3.165 0.000 0.909) 3.293 22.324 ( 1.959 0.000 3.356) 3.886 22.485 ( -2.371 0.000 -3.705) 4.399 22.528 ( -0.795 0.000 0.104) 0.801 22.579 ( -0.547 0.000 -0.290) 0.619 22.703 ( 5.074 0.000 1.803) 5.385 22.718 ( 1.612 0.000 -0.525) 1.695 27.269 ( -0.763 0.000 1.455) 1.643 27.323 ( -0.262 0.000 4.355) 4.363 27.388 ( -0.955 0.000 -1.204) 1.537 27.465 ( 1.480 0.000 -1.181) 1.893 28.670 ( -0.292 0.000 3.118) 3.131 28.767 ( -1.830 0.000 6.566) 6.816 28.923 ( -0.732 0.000 -2.290) 2.404 29.245 ( 5.319 0.000 -2.374) 5.824 30.282 ( -0.345 0.000 1.340) 1.384 30.387 ( -1.637 0.000 -1.901) 2.508 30.648 ( -5.708 0.000 4.305) 7.150 30.671 ( -0.518 0.000 3.998) 4.031 31.145 ( 0.154 0.000 -4.990) 4.992 31.369 ( 3.143 0.000 -11.286) 11.715 31.523 ( -1.762 0.000 1.178) 2.120 31.566 ( 1.233 0.000 -0.897) 1.525 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -22.157 0.000 19.199) 29.318 1.080 ( -28.605 0.000 2.743) 28.737 1.752 ( -4.741 0.000 -3.456) 5.867 1.957 ( -26.680 0.000 11.151) 28.917 2.087 ( -24.416 0.000 2.616) 24.556 2.186 ( -4.597 0.000 2.728) 5.345 2.282 ( -3.929 0.000 8.548) 9.408 2.385 ( -11.048 0.000 5.750) 12.455 2.487 ( -1.082 0.000 -0.982) 1.461 2.548 ( -17.682 0.000 -1.618) 17.756 2.642 ( -5.131 0.000 -5.711) 7.678 2.671 ( -7.600 0.000 -10.817) 13.220 2.737 ( -5.065 0.000 2.607) 5.696 2.835 ( -0.938 0.000 4.468) 4.565 2.895 ( -4.843 0.000 -2.349) 5.383 2.968 ( 0.362 0.000 0.387) 0.530 3.064 ( 2.084 0.000 -7.724) 8.000 3.243 ( 0.923 0.000 -1.256) 1.559 3.259 ( -2.838 0.000 -2.613) 3.858 3.348 ( 5.054 0.000 1.846) 5.381 3.357 ( 5.585 0.000 -3.471) 6.575 3.513 ( -5.573 0.000 4.979) 7.473 3.527 ( -3.881 0.000 -5.413) 6.660 3.611 ( 0.152 0.000 -1.403) 1.411 3.665 ( 0.618 0.000 -8.224) 8.247 3.771 ( -3.554 0.000 -9.149) 9.815 3.785 ( -1.172 0.000 5.889) 6.004 3.858 ( 8.045 0.000 -0.146) 8.046 4.049 ( -5.605 0.000 0.162) 5.607 4.089 ( 1.044 0.000 1.093) 1.511 4.089 ( 4.366 0.000 4.541) 6.299 4.171 ( 4.730 0.000 -0.429) 4.749 4.379 ( -5.326 0.000 1.791) 5.619 4.571 ( 0.322 0.000 2.649) 2.669 4.610 ( 2.282 0.000 -1.225) 2.590 4.769 ( -4.672 0.000 -4.055) 6.186 4.774 ( 0.440 0.000 -0.305) 0.535 4.943 ( 5.919 0.000 -1.825) 6.194 4.954 ( 3.001 0.000 6.354) 7.027 5.017 ( 3.847 0.000 -3.825) 5.426 5.037 ( -1.291 0.000 4.771) 4.943 5.066 ( 2.501 0.000 -2.630) 3.629 5.090 ( 2.707 0.000 2.179) 3.475 5.131 ( 5.028 0.000 -2.184) 5.481 5.210 ( 2.334 0.000 0.893) 2.499 5.250 ( -2.127 0.000 0.905) 2.312 5.347 ( 4.484 0.000 -7.458) 8.702 5.362 ( 9.419 0.000 -4.470) 10.426 5.452 ( -2.280 0.000 1.124) 2.542 5.507 ( 3.308 0.000 -0.796) 3.402 5.569 ( 5.658 0.000 2.118) 6.041 5.743 ( -0.038 0.000 -2.773) 2.773 5.755 ( -0.501 0.000 3.079) 3.120 5.912 ( -4.338 0.000 4.043) 5.930 6.020 ( 3.952 0.000 -4.468) 5.964 6.058 ( 1.325 0.000 3.398) 3.647 6.173 ( 2.514 0.000 0.457) 2.555 6.230 ( -0.887 0.000 -2.016) 2.203 6.378 ( -0.939 0.000 -7.100) 7.161 6.421 ( -0.176 0.000 -2.388) 2.394 6.671 ( -5.030 0.000 1.705) 5.311 6.801 ( -4.742 0.000 -2.878) 5.547 6.830 ( -4.288 0.000 -5.158) 6.708 6.861 ( -6.876 0.000 15.812) 17.242 7.007 ( 1.667 0.000 1.628) 2.330 7.039 ( 2.570 0.000 2.100) 3.319 7.149 ( 5.576 0.000 -1.233) 5.710 7.191 ( 0.248 0.000 -0.159) 0.295 7.308 ( -0.852 0.000 4.417) 4.499 7.363 ( -1.035 0.000 -1.994) 2.246 7.397 ( -0.299 0.000 1.287) 1.321 7.429 ( -3.085 0.000 -2.534) 3.993 7.617 ( -1.823 0.000 4.871) 5.201 7.843 ( 3.094 0.000 1.190) 3.315 7.966 ( 4.191 0.000 3.094) 5.209 8.074 ( 4.469 0.000 -1.479) 4.707 8.121 ( 2.625 0.000 1.424) 2.987 8.181 ( -2.253 0.000 -5.400) 5.852 8.305 ( 3.349 0.000 -2.060) 3.932 8.321 ( 7.791 0.000 0.141) 7.792 8.600 ( 4.992 0.000 -2.262) 5.481 8.607 ( 0.765 0.000 -0.266) 0.810 8.645 ( 4.899 0.000 1.573) 5.145 8.784 ( 5.173 0.000 0.948) 5.259 9.789 ( -0.808 0.000 -4.443) 4.516 9.827 ( 2.218 0.000 -4.236) 4.781 9.919 ( -3.022 0.000 -1.980) 3.612 9.954 ( -1.177 0.000 5.275) 5.405 10.147 ( -3.383 0.000 6.867) 7.655 10.239 ( 0.384 0.000 8.517) 8.526 10.286 ( -3.070 0.000 5.412) 6.222 10.396 ( 2.989 0.000 -0.558) 3.040 10.509 ( -6.676 0.000 12.251) 13.952 10.708 ( -5.232 0.000 1.931) 5.577 10.950 ( -2.803 0.000 1.702) 3.279 10.988 ( 0.772 0.000 -7.159) 7.200 11.212 ( 1.266 0.000 3.323) 3.556 11.331 ( 0.988 0.000 -2.291) 2.495 11.358 ( 2.903 0.000 0.892) 3.037 11.414 ( -5.717 0.000 -5.119) 7.674 11.480 ( -5.267 0.000 -4.034) 6.634 11.489 ( 2.140 0.000 3.605) 4.193 11.660 ( 0.682 0.000 -1.340) 1.504 11.808 ( 0.861 0.000 3.525) 3.629 11.988 ( 2.749 0.000 -5.974) 6.576 12.052 ( -0.114 0.000 0.237) 0.264 12.056 ( 0.663 0.000 -2.413) 2.502 12.155 ( 3.136 0.000 -2.016) 3.728 12.274 ( 5.439 0.000 -3.126) 6.273 12.446 ( -3.478 0.000 4.334) 5.557 12.663 ( -2.253 0.000 -11.412) 11.632 12.787 ( -0.104 0.000 -0.105) 0.148 12.805 ( 0.741 0.000 6.402) 6.445 12.826 ( 2.596 0.000 1.573) 3.035 12.842 ( -1.090 0.000 -6.557) 6.647 13.188 ( 4.775 0.000 -31.927) 32.282 13.400 ( 5.427 0.000 11.679) 12.878 13.581 ( 3.201 0.000 -5.374) 6.255 13.794 ( -0.141 0.000 9.640) 9.641 13.847 ( 2.501 0.000 -23.407) 23.540 13.935 ( -0.097 0.000 3.025) 3.027 14.277 ( 0.820 0.000 1.743) 1.927 14.591 ( -5.536 0.000 6.430) 8.485 14.708 ( -9.385 0.000 12.399) 15.551 15.960 ( 0.510 0.000 0.287) 0.585 16.071 ( 0.407 0.000 -2.735) 2.765 16.212 ( -0.919 0.000 0.685) 1.146 16.252 ( -2.652 0.000 0.925) 2.808 16.442 ( -1.753 0.000 1.507) 2.312 16.574 ( 0.957 0.000 1.270) 1.590 16.619 ( -1.067 0.000 1.450) 1.800 16.688 ( -0.887 0.000 1.851) 2.053 17.207 ( -1.117 0.000 -2.084) 2.365 17.285 ( -0.662 0.000 3.796) 3.854 17.391 ( 3.859 0.000 1.278) 4.065 17.419 ( 1.657 0.000 2.286) 2.823 19.148 ( -11.257 0.000 -0.114) 11.258 19.284 ( -12.270 0.000 2.211) 12.468 19.466 ( -17.179 0.000 -1.215) 17.222 20.079 ( -4.188 0.000 -17.732) 18.220 20.402 ( 3.662 0.000 -0.661) 3.721 20.600 ( 6.150 0.000 0.650) 6.184 20.683 ( 4.508 0.000 17.769) 18.332 20.839 ( 4.015 0.000 -2.210) 4.583 21.971 ( -1.437 0.000 -0.861) 1.675 22.141 ( 3.556 0.000 1.122) 3.729 22.399 ( 1.941 0.000 6.420) 6.707 22.409 ( -2.010 0.000 -3.478) 4.017 22.528 ( -0.027 0.000 0.636) 0.637 22.567 ( -0.454 0.000 -0.265) 0.526 22.740 ( 1.854 0.000 -1.257) 2.240 22.826 ( 6.551 0.000 1.295) 6.677 27.267 ( -0.918 0.000 1.503) 1.761 27.364 ( -0.680 0.000 -0.933) 1.154 27.373 ( 0.742 0.000 6.360) 6.403 27.483 ( 1.677 0.000 -1.278) 2.108 28.691 ( -0.579 0.000 3.011) 3.066 28.827 ( -0.052 0.000 12.816) 12.816 28.891 ( -0.447 0.000 -2.165) 2.211 29.336 ( 7.508 0.000 -3.707) 8.373 30.282 ( -1.052 0.000 1.256) 1.638 30.336 ( -2.001 0.000 -1.865) 2.735 30.551 ( -9.240 0.000 4.737) 10.383 30.702 ( -0.526 0.000 4.733) 4.762 31.104 ( 0.584 0.000 -5.242) 5.275 31.230 ( -1.870 0.000 -26.298) 26.364 31.557 ( 0.698 0.000 11.553) 11.574 31.603 ( 3.096 0.000 0.186) 3.102 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -27.226 0.000 13.487) 30.383 0.656 ( -21.269 0.000 27.620) 34.860 1.227 ( -49.901 0.000 29.163) 57.798 1.742 ( 2.920 0.000 5.522) 6.246 2.044 ( -4.529 0.000 10.573) 11.503 2.099 ( -8.189 0.000 -4.579) 9.383 2.213 ( -12.954 0.000 -8.123) 15.290 2.270 ( -10.473 0.000 2.719) 10.821 2.279 ( -7.846 0.000 4.378) 8.985 2.393 ( -6.659 0.000 9.643) 11.719 2.482 ( 3.984 0.000 -4.124) 5.734 2.531 ( -1.149 0.000 -2.878) 3.099 2.673 ( -4.562 0.000 1.054) 4.682 2.843 ( -3.304 0.000 9.295) 9.865 2.894 ( -4.898 0.000 -14.253) 15.071 2.943 ( -0.063 0.000 5.057) 5.057 3.004 ( 5.307 0.000 0.730) 5.357 3.181 ( -1.589 0.000 -3.124) 3.505 3.204 ( -3.331 0.000 0.589) 3.383 3.267 ( -4.400 0.000 -6.039) 7.472 3.389 ( 0.884 0.000 -7.300) 7.354 3.499 ( -2.525 0.000 -3.318) 4.170 3.505 ( 0.671 0.000 2.675) 2.758 3.627 ( 4.884 0.000 5.887) 7.649 3.660 ( 2.774 0.000 -7.694) 8.179 3.730 ( 5.756 0.000 -2.698) 6.357 3.850 ( 1.064 0.000 5.810) 5.907 3.938 ( 2.797 0.000 -5.444) 6.121 4.008 ( 1.341 0.000 -3.079) 3.358 4.084 ( -3.695 0.000 -0.122) 3.697 4.085 ( -1.281 0.000 0.349) 1.328 4.301 ( -4.527 0.000 2.066) 4.977 4.320 ( 4.173 0.000 3.028) 5.156 4.538 ( -4.835 0.000 -1.602) 5.093 4.605 ( 1.958 0.000 -0.899) 2.154 4.754 ( 2.655 0.000 -0.973) 2.828 4.790 ( 2.180 0.000 -0.125) 2.184 4.951 ( -3.611 0.000 1.589) 3.945 4.998 ( -3.853 0.000 -3.583) 5.262 4.999 ( 4.499 0.000 -1.569) 4.765 5.065 ( 3.675 0.000 -0.137) 3.677 5.077 ( 5.831 0.000 0.907) 5.901 5.132 ( -7.466 0.000 -2.624) 7.914 5.211 ( 6.697 0.000 0.625) 6.726 5.223 ( 1.148 0.000 -2.391) 2.653 5.274 ( 2.499 0.000 5.272) 5.834 5.416 ( -6.232 0.000 2.680) 6.784 5.447 ( 7.155 0.000 -2.141) 7.468 5.468 ( 5.204 0.000 -0.156) 5.207 5.595 ( 4.401 0.000 -0.779) 4.470 5.641 ( 0.174 0.000 -4.091) 4.094 5.683 ( -1.813 0.000 -1.684) 2.475 5.799 ( 5.957 0.000 0.167) 5.959 5.833 ( -5.467 0.000 -3.243) 6.356 5.952 ( -6.305 0.000 -7.416) 9.734 6.108 ( 0.198 0.000 2.427) 2.435 6.182 ( -1.912 0.000 -2.202) 2.916 6.193 ( 0.309 0.000 -1.976) 2.000 6.320 ( 1.541 0.000 -5.111) 5.338 6.387 ( 1.383 0.000 -5.221) 5.401 6.612 ( -4.045 0.000 5.132) 6.534 6.704 ( -3.137 0.000 -1.242) 3.374 6.748 ( -0.083 0.000 -2.017) 2.019 6.939 ( 0.888 0.000 10.722) 10.759 7.040 ( -1.149 0.000 2.951) 3.166 7.088 ( 0.598 0.000 1.313) 1.443 7.213 ( 3.199 0.000 -2.602) 4.124 7.216 ( 4.267 0.000 -1.821) 4.639 7.320 ( -3.030 0.000 0.081) 3.031 7.353 ( 2.488 0.000 1.490) 2.900 7.373 ( -0.280 0.000 -0.093) 0.296 7.572 ( 11.675 0.000 19.781) 22.969 7.629 ( -2.282 0.000 4.411) 4.967 7.933 ( 4.939 0.000 3.196) 5.883 8.028 ( -3.966 0.000 -3.312) 5.167 8.063 ( 3.042 0.000 1.726) 3.497 8.142 ( -0.041 0.000 -0.977) 0.978 8.190 ( 5.297 0.000 -1.715) 5.567 8.338 ( 1.410 0.000 1.947) 2.404 8.463 ( 7.386 0.000 -0.541) 7.406 8.621 ( 0.298 0.000 -6.323) 6.331 8.625 ( 0.779 0.000 0.345) 0.852 8.733 ( 2.643 0.000 1.445) 3.013 8.842 ( 0.880 0.000 -0.182) 0.898 9.734 ( -0.314 0.000 -4.048) 4.060 9.850 ( 4.555 0.000 -4.292) 6.259 9.867 ( -0.335 0.000 -2.286) 2.310 9.954 ( -3.688 0.000 3.715) 5.234 10.150 ( -2.440 0.000 4.020) 4.703 10.265 ( -7.007 0.000 10.368) 12.513 10.385 ( 9.637 0.000 15.740) 18.455 10.391 ( -1.259 0.000 -5.108) 5.261 10.574 ( 2.017 0.000 11.027) 11.210 10.679 ( -0.804 0.000 2.660) 2.779 10.818 ( -10.032 0.000 -3.441) 10.606 10.915 ( -3.875 0.000 -11.291) 11.938 11.238 ( -0.392 0.000 -0.565) 0.688 11.317 ( -0.499 0.000 -0.793) 0.937 11.350 ( 2.592 0.000 0.112) 2.594 11.424 ( -1.777 0.000 4.929) 5.239 11.433 ( 2.446 0.000 3.287) 4.097 11.548 ( 0.434 0.000 3.467) 3.494 11.665 ( 0.859 0.000 -1.840) 2.030 11.827 ( -1.484 0.000 1.877) 2.393 11.894 ( -8.480 0.000 -17.928) 19.832 11.998 ( 1.282 0.000 -9.936) 10.019 12.008 ( 0.218 0.000 -7.518) 7.521 12.244 ( 6.301 0.000 0.361) 6.312 12.285 ( -12.667 0.000 -28.002) 30.734 12.350 ( -10.753 0.000 -25.183) 27.383 12.491 ( -1.344 0.000 -3.155) 3.429 12.556 ( -1.540 0.000 -6.359) 6.542 12.758 ( -0.978 0.000 -1.875) 2.114 12.844 ( 1.798 0.000 3.803) 4.207 13.008 ( 3.787 0.000 11.771) 12.365 13.052 ( 1.099 0.000 9.756) 9.818 13.583 ( 1.698 0.000 -3.861) 4.218 13.647 ( 4.722 0.000 -4.604) 6.595 13.865 ( -3.137 0.000 11.549) 11.967 13.876 ( 21.059 0.000 12.360) 24.418 13.945 ( -0.938 0.000 1.347) 1.642 14.303 ( 0.451 0.000 -0.523) 0.690 14.539 ( -4.448 0.000 2.545) 5.125 14.719 ( 2.449 0.000 19.637) 19.789 15.976 ( 0.593 0.000 1.051) 1.207 16.068 ( 1.615 0.000 -1.962) 2.541 16.187 ( -2.959 0.000 -1.548) 3.340 16.210 ( -2.683 0.000 0.578) 2.745 16.423 ( -1.595 0.000 1.150) 1.966 16.598 ( 1.005 0.000 -0.995) 1.414 16.612 ( -0.996 0.000 0.754) 1.249 16.681 ( -1.386 0.000 1.055) 1.742 17.181 ( -0.183 0.000 1.382) 1.394 17.351 ( 4.551 0.000 7.490) 8.764 17.447 ( 1.435 0.000 0.707) 1.599 17.484 ( 1.855 0.000 3.414) 3.886 19.004 ( -4.125 0.000 0.554) 4.162 19.102 ( -9.349 0.000 1.439) 9.459 19.163 ( -13.917 0.000 -2.158) 14.083 19.610 ( -25.849 0.000 -36.956) 45.099 20.448 ( 1.610 0.000 0.449) 1.671 20.674 ( 2.778 0.000 -2.151) 3.514 20.897 ( 3.335 0.000 0.769) 3.422 20.995 ( 12.467 0.000 15.588) 19.961 21.953 ( -0.350 0.000 0.461) 0.579 22.203 ( 2.072 0.000 0.372) 2.105 22.363 ( -0.306 0.000 -1.340) 1.374 22.532 ( -0.122 0.000 0.402) 0.420 22.539 ( 6.154 0.000 10.568) 12.230 22.559 ( -0.175 0.000 0.013) 0.175 22.763 ( 1.732 0.000 -0.989) 1.994 22.913 ( 2.208 0.000 -4.503) 5.015 27.264 ( -0.940 0.000 1.554) 1.816 27.350 ( -0.111 0.000 -0.498) 0.510 27.457 ( 2.165 0.000 2.978) 3.682 27.500 ( 1.430 0.000 -1.047) 1.772 28.702 ( -1.092 0.000 2.893) 3.092 28.873 ( 0.346 0.000 -1.603) 1.640 29.074 ( 12.404 0.000 22.015) 25.268 29.431 ( 7.169 0.000 -5.006) 8.744 30.269 ( -1.184 0.000 0.507) 1.288 30.292 ( -1.110 0.000 -1.465) 1.838 30.420 ( -9.269 0.000 3.806) 10.020 30.699 ( -15.890 0.000 -23.929) 28.724 30.746 ( -10.886 0.000 -10.513) 15.134 31.081 ( 1.945 0.000 -4.692) 5.079 31.669 ( 2.624 0.000 2.660) 3.737 31.850 ( 17.782 0.000 23.656) 29.594 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.000 24.869 12.489) 27.829 1.057 ( -2.168 25.246 25.932) 36.256 1.466 ( -8.624 36.385 32.921) 49.820 1.733 ( -0.445 -17.760 9.955) 20.364 1.790 ( -2.636 -11.400 3.062) 12.095 1.916 ( -0.886 -1.365 -4.980) 5.239 2.001 ( -2.115 -2.805 -6.187) 7.115 2.176 ( -0.555 8.543 3.859) 9.391 2.384 ( -1.605 3.308 6.283) 7.280 2.427 ( 0.915 -0.483 4.227) 4.352 2.513 ( -2.518 -0.571 2.932) 3.907 2.635 ( 0.768 8.999 -2.631) 9.408 2.715 ( -0.206 4.174 3.160) 5.239 2.809 ( 3.088 2.044 -0.906) 3.812 2.946 ( 0.600 1.401 3.558) 3.871 2.985 ( 5.690 -9.078 2.019) 10.902 3.032 ( 1.742 -1.709 2.369) 3.401 3.167 ( 3.748 -0.275 3.164) 4.913 3.218 ( -3.232 6.128 0.134) 6.930 3.278 ( 2.524 1.824 0.934) 3.251 3.362 ( -1.508 -6.401 -3.324) 7.368 3.376 ( 2.930 -2.822 1.739) 4.425 3.495 ( 4.538 -7.281 1.486) 8.707 3.639 ( -3.659 -5.537 -7.323) 9.883 3.676 ( -0.168 -11.105 -0.988) 11.150 3.700 ( 2.986 1.987 -5.349) 6.440 3.726 ( -0.734 -5.979 -1.665) 6.249 3.954 ( 2.630 -2.129 -1.985) 3.923 3.987 ( 4.052 -0.681 0.678) 4.164 4.039 ( -1.683 3.905 1.291) 4.444 4.152 ( 1.983 3.365 -1.120) 4.064 4.221 ( -2.006 2.687 0.654) 3.417 4.246 ( -3.192 -4.023 2.392) 5.665 4.504 ( 2.359 -4.627 -3.634) 6.339 4.667 ( 1.887 -1.394 1.301) 2.683 4.699 ( -1.984 -4.225 -1.432) 4.883 4.790 ( -2.494 0.429 -0.718) 2.630 4.839 ( -1.802 -1.350 -3.732) 4.358 4.931 ( -6.982 -0.394 -1.811) 7.224 4.949 ( 2.806 -2.908 0.092) 4.043 5.022 ( -0.522 -3.324 -3.186) 4.634 5.104 ( 2.230 -4.347 0.977) 4.982 5.134 ( 1.948 1.637 3.298) 4.166 5.220 ( -0.087 -2.636 3.242) 4.179 5.326 ( -0.242 7.443 -5.934) 9.522 5.399 ( -1.101 5.142 -1.334) 5.425 5.451 ( -1.969 7.519 -2.801) 8.262 5.546 ( 3.259 0.972 1.186) 3.601 5.579 ( 1.279 -0.361 -2.396) 2.740 5.624 ( 3.504 2.620 -1.045) 4.498 5.665 ( 0.302 4.381 1.064) 4.518 5.743 ( 3.909 1.238 -5.215) 6.633 5.771 ( -3.179 2.987 -1.064) 4.490 5.825 ( -1.421 -1.307 -0.164) 1.937 5.846 ( -1.593 1.187 -0.465) 2.040 6.057 ( -0.585 -6.470 -0.441) 6.511 6.134 ( 2.892 2.933 -8.190) 9.168 6.207 ( 0.151 2.800 -6.966) 7.509 6.344 ( 1.822 -0.866 -6.120) 6.444 6.391 ( 1.032 1.789 -3.727) 4.260 6.645 ( 0.117 2.123 5.256) 5.669 6.713 ( 2.532 -0.417 3.838) 4.617 6.788 ( 0.823 1.897 4.428) 4.887 6.899 ( 0.146 -3.438 -1.242) 3.658 7.052 ( -1.713 2.359 0.617) 2.979 7.119 ( -0.833 -0.198 -0.368) 0.932 7.226 ( 0.083 -1.155 -3.203) 3.406 7.237 ( 2.501 -3.069 -3.764) 5.463 7.303 ( -1.326 1.813 -3.162) 3.878 7.337 ( -1.826 -0.117 2.147) 2.821 7.492 ( -2.242 3.650 3.965) 5.837 7.554 ( -6.127 -4.588 4.911) 9.094 7.601 ( -0.501 1.113 4.569) 4.729 7.914 ( 1.745 -4.949 -2.400) 5.771 8.035 ( -5.230 2.501 -0.594) 5.828 8.099 ( 2.679 1.465 2.183) 3.753 8.170 ( -4.393 0.492 -3.177) 5.444 8.256 ( -1.279 -2.280 -1.112) 2.840 8.380 ( 0.444 -0.133 3.505) 3.535 8.478 ( 3.558 -4.275 -0.522) 5.587 8.717 ( -2.525 6.457 -0.275) 6.939 8.778 ( 0.374 1.911 0.418) 1.992 8.842 ( 0.353 1.414 -1.888) 2.385 8.851 ( 10.662 3.987 -3.204) 11.826 9.759 ( 2.295 2.464 -2.077) 3.956 9.849 ( 0.008 -1.874 -2.453) 3.087 9.885 ( 3.028 -0.603 0.035) 3.087 9.947 ( -1.664 1.282 2.896) 3.577 10.012 ( -10.081 -4.474 5.135) 12.166 10.116 ( -8.560 -4.997 8.588) 13.115 10.276 ( -11.133 3.019 2.216) 11.746 10.336 ( -12.615 2.716 -3.612) 13.400 10.632 ( -1.128 -0.252 -2.718) 2.954 10.645 ( 1.012 -0.165 -1.738) 2.018 10.729 ( 3.373 0.964 3.621) 5.041 10.810 ( 10.733 -7.112 10.090) 16.358 11.153 ( 5.715 -1.490 -4.627) 7.503 11.302 ( 3.702 -2.578 -0.178) 4.514 11.354 ( -5.126 1.107 -3.921) 6.548 11.393 ( 2.344 1.860 -1.704) 3.444 11.429 ( -1.251 -0.022 0.861) 1.519 11.517 ( 1.910 -5.102 -4.808) 7.266 11.642 ( 0.103 1.515 0.296) 1.547 11.721 ( -0.697 -2.195 -3.724) 4.379 11.870 ( 3.190 7.204 -4.167) 8.913 11.959 ( 2.933 0.850 -7.854) 8.427 11.992 ( 1.608 2.861 -4.641) 5.684 12.090 ( 1.737 1.309 -4.023) 4.574 12.271 ( 1.455 -3.869 -0.158) 4.137 12.286 ( 1.411 -3.579 -2.246) 4.455 12.608 ( 4.164 9.160 -9.661) 13.949 12.633 ( -2.859 8.463 -0.371) 8.941 12.769 ( 1.869 0.955 0.915) 2.289 12.920 ( 2.121 -1.022 5.112) 5.628 13.106 ( -1.265 -3.630 13.068) 13.622 13.166 ( 4.081 -3.222 8.927) 10.330 13.515 ( 3.453 -2.808 -4.279) 6.173 13.576 ( 7.712 -4.777 -8.829) 12.659 13.920 ( -2.890 1.801 -0.559) 3.451 13.973 ( -5.223 3.299 4.478) 7.630 14.208 ( -1.779 4.953 -3.205) 6.162 14.380 ( 1.614 4.320 6.405) 7.892 14.458 ( -4.077 -2.491 0.547) 4.809 14.831 ( 2.280 -22.137 15.876) 27.337 15.984 ( -1.377 1.246 0.306) 1.882 16.026 ( 1.177 -0.235 1.446) 1.879 16.156 ( 0.670 1.223 -1.927) 2.379 16.175 ( -0.708 0.068 -0.661) 0.971 16.500 ( -0.068 4.106 -3.778) 5.580 16.564 ( -0.095 -0.744 -1.875) 2.020 16.617 ( -1.576 1.281 -0.424) 2.075 16.656 ( -1.258 -0.642 0.276) 1.439 17.244 ( -0.432 2.019 5.008) 5.417 17.402 ( 0.280 -6.002 6.134) 8.586 17.492 ( -1.395 -0.623 2.189) 2.669 17.512 ( -2.053 -0.833 2.714) 3.503 18.968 ( 0.536 0.524 -0.778) 1.080 19.006 ( -0.683 -0.837 0.167) 1.093 19.027 ( 0.108 1.885 -1.104) 2.188 19.065 ( 4.805 1.360 -1.668) 5.265 20.481 ( -0.504 1.682 0.811) 1.934 20.604 ( -1.264 -4.072 0.645) 4.312 20.979 ( 0.600 2.003 1.882) 2.813 21.089 ( -1.149 -2.930 -0.053) 3.148 22.000 ( 0.221 3.265 1.426) 3.570 22.168 ( -0.724 -3.304 -0.914) 3.504 22.400 ( 1.034 0.716 1.721) 2.131 22.440 ( -1.494 -2.153 3.006) 3.988 22.586 ( 0.166 2.481 0.215) 2.495 22.724 ( 0.327 -3.376 -0.774) 3.479 22.798 ( -6.506 5.666 -8.229) 11.923 22.847 ( 2.993 1.520 -3.798) 5.069 27.262 ( -0.961 0.035 1.617) 1.882 27.281 ( -2.413 -1.625 2.955) 4.147 27.454 ( -1.831 2.729 -2.251) 3.984 27.507 ( 0.647 -0.574 -0.780) 1.165 28.707 ( -1.990 0.597 2.842) 3.521 28.765 ( -3.131 -3.152 5.595) 7.144 29.274 ( -11.749 10.903 -12.146) 20.110 29.469 ( 1.967 -1.621 -5.863) 6.393 30.261 ( -1.387 0.712 -0.680) 1.701 30.290 ( -1.029 0.001 1.350) 1.698 30.331 ( -0.318 1.963 -1.064) 2.256 30.452 ( 17.780 -3.390 0.354) 18.104 30.749 ( -2.266 2.598 3.204) 4.707 30.998 ( 1.630 -8.326 -0.389) 8.493 31.722 ( -0.582 5.191 8.626) 10.085 32.121 ( 0.887 -9.179 1.156) 9.294 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 18.887 14.103 11.014) 26.017 1.343 ( 7.722 18.615 25.090) 32.181 1.745 ( 5.374 -11.971 -0.795) 13.146 1.806 ( 11.271 26.727 28.129) 40.406 1.898 ( 9.392 -3.404 -2.514) 10.302 1.973 ( 5.991 0.636 -1.883) 6.312 2.026 ( 3.344 -7.937 13.162) 15.729 2.228 ( 5.752 9.005 -4.747) 11.693 2.375 ( -1.661 3.768 1.383) 4.344 2.478 ( 0.985 0.453 6.353) 6.444 2.551 ( 3.808 4.192 3.700) 6.765 2.701 ( 5.986 1.582 -1.100) 6.288 2.790 ( 2.015 0.976 3.222) 3.924 2.840 ( 2.404 -3.830 0.487) 4.548 2.944 ( -1.119 -1.953 -0.893) 2.422 3.062 ( -0.547 0.438 -3.141) 3.218 3.151 ( 4.247 2.591 2.723) 5.672 3.181 ( 2.647 -1.243 4.498) 5.365 3.220 ( -5.535 -8.147 -0.404) 9.857 3.272 ( 3.198 2.859 1.782) 4.645 3.431 ( -0.179 -5.420 -4.092) 6.794 3.441 ( 4.834 -1.281 3.514) 6.113 3.489 ( -2.085 -1.136 -2.394) 3.372 3.590 ( 3.201 -3.375 -1.358) 4.846 3.677 ( 1.554 -5.535 -3.732) 6.854 3.708 ( 5.460 -1.004 -2.020) 5.908 3.726 ( 0.331 -7.218 1.917) 7.476 3.939 ( -3.231 -2.893 -2.673) 5.094 3.986 ( 2.583 2.876 -5.448) 6.680 4.090 ( 2.199 -0.482 4.078) 4.658 4.160 ( 0.039 8.578 -1.851) 8.775 4.198 ( -1.485 -1.240 2.542) 3.194 4.253 ( 0.157 -3.180 4.831) 5.786 4.531 ( 0.703 -5.791 -2.960) 6.542 4.578 ( -4.006 -2.852 -3.577) 6.081 4.675 ( -2.476 -4.063 2.279) 5.276 4.771 ( -0.505 -1.593 -4.223) 4.542 4.778 ( 1.617 -1.499 -1.113) 2.470 4.800 ( -4.087 0.184 -0.717) 4.154 4.967 ( -1.983 -5.403 -2.297) 6.196 5.058 ( 6.834 -0.833 -0.364) 6.894 5.124 ( -2.036 -5.109 0.196) 5.503 5.168 ( -1.322 3.014 -0.717) 3.368 5.243 ( -0.156 1.657 -0.006) 1.664 5.319 ( 0.308 6.742 0.690) 6.785 5.355 ( 0.860 4.192 0.596) 4.321 5.413 ( 1.412 3.928 -5.835) 7.174 5.498 ( -7.544 0.920 -3.011) 8.174 5.552 ( -4.487 -0.156 1.602) 4.767 5.571 ( -4.931 1.190 -2.974) 5.880 5.676 ( 0.336 4.925 -4.446) 6.644 5.691 ( -3.731 1.322 -1.928) 4.403 5.712 ( 0.746 1.403 -0.544) 1.680 5.832 ( 3.627 1.630 -0.812) 4.058 5.951 ( 7.034 -2.285 2.345) 7.758 6.047 ( 0.309 -3.127 -3.097) 4.412 6.121 ( -0.171 -0.257 -1.925) 1.949 6.139 ( -0.367 0.889 -6.448) 6.519 6.323 ( 2.857 0.983 -5.001) 5.843 6.403 ( 3.140 1.018 -3.974) 5.166 6.694 ( -0.064 3.273 4.541) 5.598 6.801 ( 3.224 0.461 2.030) 3.838 6.849 ( 1.503 -0.935 2.333) 2.929 6.897 ( -0.309 -2.609 3.083) 4.051 7.025 ( -1.789 1.816 0.529) 2.603 7.048 ( -6.575 0.021 0.168) 6.577 7.173 ( -4.717 -1.529 -2.680) 5.636 7.188 ( -1.593 -2.413 -3.257) 4.355 7.285 ( 1.830 2.372 -0.850) 3.114 7.342 ( 2.368 -1.445 -0.560) 2.830 7.411 ( -7.849 1.722 5.522) 9.750 7.511 ( -0.593 0.656 2.136) 2.312 7.672 ( 1.799 3.931 7.093) 8.307 7.850 ( -4.515 -0.445 -4.295) 6.248 7.966 ( -1.163 1.333 -1.884) 2.584 8.106 ( 2.694 -1.860 -1.511) 3.605 8.141 ( -1.577 -0.657 2.596) 3.108 8.232 ( -4.044 -3.177 3.433) 6.183 8.388 ( -2.896 -0.560 1.502) 3.310 8.476 ( -2.312 -3.168 -2.319) 4.557 8.645 ( -6.387 6.458 2.757) 9.492 8.768 ( -2.793 0.585 1.995) 3.482 8.779 ( -3.652 6.615 -4.546) 8.818 8.898 ( -1.452 0.722 -1.043) 1.928 9.797 ( 0.313 -1.859 -1.563) 2.449 9.823 ( 4.045 -1.649 -1.791) 4.722 9.884 ( -3.100 -0.292 3.440) 4.640 9.941 ( -1.857 0.408 3.316) 3.822 9.989 ( 2.511 -0.408 -1.577) 2.993 10.026 ( -5.585 -1.369 4.173) 7.105 10.183 ( -1.605 4.332 -1.362) 4.817 10.239 ( -0.664 1.801 2.050) 2.809 10.561 ( -3.328 2.689 -1.566) 4.556 10.659 ( 2.524 -0.060 -0.271) 2.539 10.825 ( 3.880 0.091 -1.150) 4.048 10.989 ( 1.499 -10.395 4.618) 11.472 11.259 ( -0.653 1.420 -2.461) 2.915 11.288 ( 5.113 -6.195 -1.415) 8.156 11.349 ( 0.851 -3.282 0.553) 3.435 11.408 ( 5.995 -3.117 -4.342) 8.032 11.472 ( 5.698 2.996 0.709) 6.477 11.593 ( 4.459 -2.077 1.068) 5.034 11.651 ( -0.483 1.321 -0.894) 1.667 11.684 ( 2.442 -2.337 -4.261) 5.439 11.916 ( 2.889 5.328 -5.536) 8.209 11.949 ( 4.960 0.749 -3.666) 6.213 12.007 ( 2.787 0.703 -1.257) 3.137 12.067 ( -1.212 1.452 0.486) 1.953 12.225 ( -3.771 -2.651 -2.633) 5.308 12.338 ( 3.843 -4.070 -3.695) 6.707 12.568 ( 0.884 8.637 -5.609) 10.336 12.628 ( 2.767 5.162 -2.390) 6.325 12.830 ( 2.747 0.431 2.262) 3.585 12.979 ( 0.596 -3.320 2.625) 4.274 13.188 ( -1.851 -1.568 12.483) 12.717 13.287 ( 0.309 -1.157 9.221) 9.299 13.514 ( 1.132 0.051 -5.165) 5.288 13.615 ( 5.909 -3.066 -11.879) 13.617 13.845 ( -4.908 1.252 -1.825) 5.384 13.897 ( -5.096 -1.703 1.542) 5.590 14.163 ( 1.350 7.736 -2.938) 8.384 14.400 ( -2.516 -0.528 2.767) 3.777 14.437 ( -1.395 1.514 4.903) 5.318 14.824 ( -12.179 -15.280 9.428) 21.695 15.977 ( 0.298 1.856 -0.289) 1.902 16.069 ( 1.545 -1.969 1.266) 2.805 16.168 ( 1.900 1.072 -1.135) 2.459 16.184 ( 2.654 1.452 -1.116) 3.225 16.461 ( -0.859 3.158 -1.012) 3.426 16.541 ( -0.551 -0.948 -1.740) 2.057 16.599 ( -0.360 1.139 -0.112) 1.200 16.646 ( -0.056 -0.963 0.238) 0.993 17.253 ( -3.572 1.952 6.125) 7.354 17.394 ( -4.551 -2.948 3.101) 6.247 17.457 ( -4.826 -1.309 4.123) 6.480 17.468 ( -3.711 -0.447 1.484) 4.022 18.995 ( 6.549 0.646 -0.354) 6.591 19.046 ( 6.312 -0.448 -0.682) 6.365 19.224 ( 14.895 0.525 -0.373) 14.909 19.345 ( 24.670 -4.931 -9.383) 26.851 20.458 ( -3.018 1.559 0.993) 3.540 20.563 ( -3.436 -2.924 -0.068) 4.512 20.940 ( -8.151 2.708 1.944) 8.806 21.022 ( -3.967 0.915 1.132) 4.226 22.019 ( 0.070 2.231 2.048) 3.030 22.129 ( -2.185 -1.918 -1.874) 3.459 22.415 ( -2.454 0.240 2.263) 3.347 22.459 ( 1.751 -1.315 2.814) 3.566 22.586 ( -1.004 2.435 0.182) 2.641 22.635 ( -3.212 6.643 -2.500) 7.791 22.719 ( -1.012 -3.172 -0.825) 3.430 22.814 ( -1.823 -0.531 -4.199) 4.609 27.259 ( -0.933 0.156 1.715) 1.958 27.274 ( -1.276 -0.676 2.763) 3.117 27.416 ( -0.649 3.460 -0.785) 3.606 27.505 ( -0.223 -1.029 -0.546) 1.186 28.688 ( -2.593 1.148 2.527) 3.799 28.755 ( -3.298 -1.990 5.260) 6.519 29.046 ( -4.570 10.872 -3.265) 12.238 29.398 ( -3.848 -5.044 -4.315) 7.672 30.246 ( 0.054 0.378 -0.625) 0.733 30.280 ( 0.744 -1.223 0.010) 1.431 30.419 ( 8.594 6.723 -1.000) 10.957 30.736 ( -2.155 3.412 2.828) 4.927 30.785 ( 18.251 -9.371 -6.089) 21.400 31.040 ( 3.819 -8.882 -0.804) 9.702 31.752 ( -4.253 4.506 7.340) 9.606 32.025 ( -9.219 -2.470 0.102) 9.544 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 17.734 7.207 9.502) 21.371 1.710 ( 7.514 8.183 24.399) 26.809 1.884 ( 8.738 -7.685 2.469) 11.896 2.045 ( 1.712 8.953 3.225) 9.669 2.077 ( 10.639 3.926 -3.416) 11.843 2.192 ( 3.514 -5.416 11.069) 12.815 2.243 ( 13.720 3.173 1.112) 14.126 2.309 ( 9.817 5.362 -5.301) 12.378 2.524 ( 16.714 7.759 7.459) 19.879 2.579 ( 3.632 3.766 8.756) 10.200 2.642 ( 3.069 2.401 0.567) 3.937 2.761 ( 2.875 -9.302 -3.151) 10.233 2.784 ( -3.692 4.745 -0.787) 6.064 2.882 ( -0.247 -3.203 4.455) 5.492 2.949 ( 3.615 5.118 -0.670) 6.301 3.010 ( -5.116 -10.367 -2.260) 11.780 3.122 ( 0.413 -2.735 1.165) 3.002 3.207 ( -0.614 1.387 -3.124) 3.472 3.233 ( -0.439 -1.296 -0.051) 1.370 3.322 ( -3.770 -3.494 -5.951) 7.864 3.359 ( 4.617 5.543 2.099) 7.513 3.462 ( 2.485 -1.122 -3.209) 4.211 3.545 ( 2.835 0.467 2.286) 3.672 3.599 ( 0.104 -1.008 -3.071) 3.234 3.662 ( 2.233 -0.986 -3.636) 4.379 3.738 ( -3.834 -5.081 0.181) 6.368 3.842 ( -0.881 0.936 2.165) 2.517 3.883 ( 9.955 -2.191 0.815) 10.226 4.032 ( 5.551 2.064 -4.433) 7.398 4.151 ( 3.474 -3.459 -2.597) 5.548 4.156 ( -3.714 0.234 2.501) 4.483 4.208 ( 2.997 3.655 3.403) 5.824 4.260 ( -6.108 -2.519 4.838) 8.189 4.449 ( -0.659 3.568 -1.262) 3.841 4.563 ( -2.112 -8.758 -3.514) 9.670 4.649 ( -1.266 -2.282 1.858) 3.203 4.735 ( -0.169 2.805 -0.526) 2.859 4.776 ( 2.001 -5.278 0.089) 5.645 4.818 ( 1.887 -4.119 -1.747) 4.856 4.932 ( 0.228 -5.118 -1.234) 5.269 5.049 ( -7.223 -0.567 -3.135) 7.894 5.071 ( -1.939 5.488 -2.554) 6.356 5.169 ( 3.058 5.112 -1.700) 6.195 5.239 ( -1.034 -4.471 -0.435) 4.610 5.277 ( -0.565 5.485 -0.416) 5.530 5.328 ( -3.772 3.148 -2.799) 5.655 5.355 ( -4.984 0.870 1.790) 5.366 5.434 ( -5.582 -1.473 -0.972) 5.855 5.443 ( -0.445 0.368 1.588) 1.690 5.511 ( -1.231 3.755 -1.651) 4.283 5.621 ( -1.206 3.482 -0.003) 3.685 5.687 ( 2.821 0.409 -3.707) 4.676 5.743 ( 3.813 -0.247 1.320) 4.043 5.845 ( -1.123 0.361 -0.918) 1.495 6.007 ( -2.717 -1.842 -1.318) 3.537 6.021 ( 1.747 0.334 -3.571) 3.990 6.086 ( -0.558 0.135 -3.930) 3.971 6.127 ( 0.393 -1.756 2.469) 3.055 6.341 ( 3.707 0.881 -5.425) 6.629 6.413 ( 2.218 1.267 -5.517) 6.080 6.717 ( -1.066 2.373 2.769) 3.799 6.850 ( 1.715 0.882 1.037) 2.190 6.887 ( 0.489 -1.692 1.208) 2.135 6.915 ( -5.329 -4.362 5.270) 8.672 6.952 ( 0.342 -0.145 0.467) 0.597 6.993 ( -1.587 -0.344 -1.008) 1.911 7.058 ( -2.189 0.851 -3.408) 4.139 7.199 ( 2.459 -2.901 -0.805) 3.888 7.330 ( 0.982 5.958 4.659) 7.627 7.388 ( 0.646 -2.429 1.592) 2.975 7.400 ( 4.889 -0.874 -0.381) 4.981 7.550 ( 2.531 -0.216 1.825) 3.128 7.704 ( -3.331 0.870 -2.739) 4.400 7.779 ( -1.084 0.381 4.412) 4.560 7.941 ( -0.386 1.946 -0.134) 1.988 8.078 ( -6.320 -1.625 -0.439) 6.541 8.151 ( -3.095 -1.216 0.654) 3.389 8.177 ( -1.505 -1.200 2.568) 3.209 8.314 ( -4.476 -0.946 -1.011) 4.685 8.387 ( -5.145 -2.384 -0.820) 5.729 8.552 ( -6.283 4.934 2.510) 8.374 8.668 ( -3.883 5.543 -2.871) 7.351 8.717 ( -5.156 -0.081 1.481) 5.365 8.829 ( -4.319 1.644 -1.127) 4.757 9.799 ( 1.795 -0.539 -1.554) 2.434 9.844 ( -0.180 -3.048 -2.794) 4.139 9.880 ( -2.302 -0.566 3.899) 4.563 9.939 ( 1.574 -2.875 2.692) 4.241 10.021 ( 1.789 0.793 -0.483) 2.016 10.043 ( 2.342 0.934 2.456) 3.520 10.172 ( 0.915 3.498 -0.894) 3.725 10.256 ( -0.465 0.408 2.561) 2.635 10.499 ( -1.587 4.816 -1.243) 5.221 10.738 ( 5.411 -2.564 1.558) 6.187 10.844 ( 0.315 0.393 -1.200) 1.301 11.045 ( 1.027 -10.323 4.475) 11.298 11.238 ( -0.273 0.625 0.958) 1.176 11.310 ( 0.025 -4.274 -1.564) 4.551 11.350 ( -0.881 -1.560 -1.658) 2.441 11.461 ( 0.929 -3.208 -2.563) 4.210 11.540 ( 1.487 5.887 -1.908) 6.365 11.627 ( 2.510 -1.515 -1.871) 3.478 11.692 ( 4.500 0.060 -0.557) 4.535 11.757 ( 6.715 0.689 0.506) 6.769 11.880 ( -0.996 4.306 -2.639) 5.147 12.009 ( 0.841 -1.398 0.866) 1.847 12.037 ( 0.007 2.542 2.526) 3.583 12.089 ( 1.240 -2.876 -5.411) 6.252 12.141 ( 0.740 0.019 -1.090) 1.317 12.342 ( 1.661 -2.875 -4.618) 5.687 12.556 ( 3.056 6.821 -4.333) 8.640 12.683 ( 5.226 3.250 -2.367) 6.593 12.892 ( 2.261 -0.244 1.028) 2.496 12.996 ( -0.162 -3.170 0.729) 3.256 13.255 ( -0.957 -0.899 7.124) 7.244 13.342 ( -2.427 -0.917 7.138) 7.595 13.478 ( -0.379 0.996 -4.002) 4.141 13.562 ( -0.895 0.187 -7.719) 7.773 13.719 ( -5.090 1.041 -3.823) 6.450 13.848 ( -1.834 -6.212 -0.556) 6.500 14.172 ( 3.671 7.539 -7.895) 11.517 14.405 ( 0.787 -2.460 1.606) 3.041 14.473 ( -1.462 2.147 10.510) 10.826 14.672 ( -10.911 -7.024 5.012) 13.910 15.981 ( 0.445 1.996 -0.365) 2.078 16.093 ( 0.676 -2.797 0.250) 2.888 16.202 ( 2.352 1.863 -0.758) 3.094 16.229 ( 2.616 0.786 0.003) 2.732 16.452 ( -0.220 1.893 0.719) 2.037 16.523 ( -0.179 -0.802 -0.578) 1.004 16.603 ( 0.563 0.813 0.580) 1.146 16.652 ( 0.213 -1.117 0.504) 1.244 17.241 ( -3.019 1.258 4.680) 5.709 17.334 ( -3.644 -1.420 1.101) 4.063 17.402 ( -4.008 -0.690 1.470) 4.325 17.417 ( -4.717 -1.159 3.741) 6.131 19.181 ( 12.945 0.387 0.586) 12.964 19.211 ( 12.156 0.303 -0.400) 12.167 19.492 ( 15.465 1.426 -1.254) 15.581 19.657 ( 20.425 -5.757 -10.517) 23.684 20.393 ( -5.446 1.441 1.497) 5.829 20.484 ( -5.273 -1.824 0.003) 5.580 20.786 ( -9.836 5.586 1.936) 11.476 20.953 ( -5.376 -0.873 0.933) 5.526 22.036 ( -0.401 0.081 1.348) 1.408 22.074 ( -1.636 -0.642 -1.065) 2.055 22.378 ( -2.763 3.308 0.477) 4.336 22.516 ( 1.401 -2.900 2.320) 3.970 22.556 ( -1.115 2.649 -0.095) 2.876 22.618 ( 0.042 2.340 1.004) 2.547 22.679 ( -2.165 -2.068 -1.122) 3.197 22.740 ( -2.814 -1.144 -2.263) 3.788 27.261 ( -0.541 0.277 1.569) 1.682 27.279 ( -0.862 -0.534 2.408) 2.613 27.410 ( 0.364 2.165 -0.360) 2.225 27.490 ( -0.883 -1.208 -0.495) 1.576 28.668 ( -1.980 1.502 2.257) 3.357 28.745 ( -2.715 -1.639 4.448) 5.463 28.996 ( -0.255 6.325 -1.121) 6.429 29.287 ( -4.700 -5.498 -2.484) 7.647 30.249 ( 0.665 0.440 -0.355) 0.873 30.310 ( 2.139 -3.071 0.117) 3.745 30.577 ( 9.326 9.188 -1.161) 13.143 30.726 ( -1.438 5.384 2.534) 6.122 30.968 ( 7.325 -10.204 -3.256) 12.976 31.130 ( 8.516 -8.970 -3.757) 12.926 31.707 ( -6.284 4.127 4.466) 8.745 31.863 ( -7.859 1.517 -0.891) 8.054 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.371 4.151 0.628) 4.822 1.967 ( 2.223 2.853 12.626) 13.133 2.033 ( -0.345 9.168 1.098) 9.240 2.110 ( 11.243 2.737 5.034) 12.618 2.203 ( 7.256 -1.125 -2.809) 7.862 2.348 ( 1.621 -7.196 3.266) 8.067 2.417 ( 2.383 -0.117 0.181) 2.392 2.445 ( 9.153 -1.001 4.724) 10.349 2.528 ( -7.004 -0.084 -3.261) 7.726 2.719 ( 4.586 -2.867 0.032) 5.408 2.751 ( -1.938 3.165 5.172) 6.365 2.827 ( 6.333 -4.647 0.851) 7.901 2.898 ( -0.517 -4.280 4.332) 6.111 2.936 ( 1.017 5.487 -2.341) 6.052 2.982 ( 7.019 -3.303 -1.452) 7.892 3.008 ( 14.054 6.377 3.096) 15.740 3.105 ( -1.714 -0.573 -2.189) 2.839 3.144 ( -2.112 -0.190 -3.213) 3.849 3.208 ( -0.413 0.550 -2.052) 2.164 3.256 ( 3.002 -1.241 -3.833) 5.025 3.411 ( 0.669 4.951 -1.847) 5.327 3.508 ( 0.337 -0.131 -2.279) 2.307 3.587 ( 3.807 -1.180 1.916) 4.422 3.624 ( 3.766 0.971 -0.159) 3.892 3.647 ( 0.703 3.526 -3.545) 5.050 3.710 ( 3.735 -1.718 -0.715) 4.173 3.868 ( -0.680 -1.135 5.238) 5.403 3.982 ( -9.703 0.421 1.222) 9.789 4.045 ( 3.074 -2.832 -2.077) 4.668 4.139 ( -8.523 -4.561 4.221) 10.548 4.158 ( 3.562 0.302 0.989) 3.709 4.233 ( 3.917 0.313 -1.802) 4.323 4.251 ( 4.717 2.965 -3.736) 6.708 4.427 ( -2.883 -0.887 -3.267) 4.447 4.532 ( 3.738 0.105 2.557) 4.530 4.655 ( -1.010 -0.024 3.072) 3.233 4.766 ( -2.815 -0.153 -1.143) 3.042 4.780 ( -0.484 -1.483 0.620) 1.679 4.788 ( -3.815 -3.545 3.368) 6.202 4.882 ( 0.717 2.263 -4.889) 5.435 4.990 ( 3.230 -2.863 -2.091) 4.796 5.004 ( -5.264 3.586 0.623) 6.399 5.176 ( 1.426 3.977 -7.428) 8.546 5.196 ( -0.865 -2.763 -2.929) 4.119 5.237 ( -3.722 -0.081 2.887) 4.711 5.258 ( -3.098 -0.686 0.655) 3.240 5.315 ( -0.875 5.042 -1.859) 5.445 5.404 ( -0.575 -1.178 -1.380) 1.903 5.435 ( 0.250 1.219 3.872) 4.067 5.496 ( 0.972 -3.681 2.639) 4.633 5.608 ( 0.374 6.391 -1.158) 6.506 5.761 ( 1.195 -0.510 -0.799) 1.525 5.769 ( 0.865 3.368 0.448) 3.506 5.838 ( 1.473 1.126 -0.154) 1.861 5.933 ( -2.972 0.321 -0.270) 3.001 6.012 ( 0.108 -2.248 -2.599) 3.438 6.061 ( -0.168 -1.579 -0.415) 1.642 6.133 ( -1.392 -3.617 1.224) 4.064 6.356 ( 3.457 0.008 -4.540) 5.706 6.389 ( 1.876 1.969 -5.583) 6.210 6.711 ( -0.354 0.500 -0.424) 0.745 6.828 ( -4.090 -2.411 2.176) 5.223 6.904 ( 1.863 -1.490 2.234) 3.268 6.943 ( 1.110 -2.205 2.648) 3.621 6.962 ( -0.109 1.470 -2.089) 2.557 7.001 ( 1.522 -0.980 2.990) 3.496 7.036 ( 1.178 0.271 -0.357) 1.261 7.228 ( 2.225 -2.886 -0.791) 3.729 7.335 ( -1.606 1.886 -2.252) 3.348 7.438 ( 1.727 -2.022 -0.828) 2.786 7.497 ( 4.179 2.347 1.073) 4.912 7.609 ( 1.140 1.112 -0.996) 1.879 7.645 ( 1.154 -2.078 2.084) 3.161 7.775 ( -4.137 -4.414 3.600) 7.040 7.918 ( -3.955 0.814 -0.357) 4.053 7.948 ( -3.874 0.671 -1.984) 4.404 8.062 ( -5.663 4.325 2.183) 7.452 8.167 ( -1.969 -0.251 0.355) 2.017 8.265 ( -0.350 0.013 -0.125) 0.372 8.303 ( -3.637 -0.704 0.198) 3.710 8.478 ( -3.494 0.902 0.938) 3.729 8.573 ( -5.713 -1.443 -0.562) 5.919 8.650 ( -1.244 4.819 -0.900) 5.058 8.751 ( -3.208 2.181 -1.017) 4.011 9.813 ( 1.037 -1.975 -4.154) 4.715 9.822 ( 0.273 -1.472 0.531) 1.589 9.893 ( -0.674 0.552 5.726) 5.792 9.965 ( -2.130 -2.537 2.139) 3.943 10.058 ( 3.167 1.524 -0.414) 3.538 10.110 ( 2.403 -0.006 0.890) 2.563 10.198 ( 1.540 0.599 2.277) 2.814 10.263 ( -1.111 -0.470 2.739) 2.993 10.502 ( 2.080 6.479 1.105) 6.894 10.815 ( 0.625 -1.975 0.378) 2.105 10.881 ( 4.209 -2.592 2.245) 5.429 11.089 ( -0.464 -9.255 2.677) 9.646 11.251 ( 0.164 -0.535 0.463) 0.727 11.284 ( -3.235 1.539 -0.866) 3.686 11.294 ( -1.086 -3.142 -0.196) 3.330 11.440 ( 0.036 -2.396 0.003) 2.396 11.553 ( 1.661 5.828 -1.179) 6.174 11.659 ( 1.669 0.108 -0.879) 1.889 11.710 ( 0.430 0.023 -3.687) 3.712 11.832 ( -0.176 0.539 -2.784) 2.841 11.870 ( 0.575 3.321 1.626) 3.742 12.003 ( -0.329 3.778 -6.421) 7.457 12.020 ( -0.001 -1.369 2.337) 2.709 12.090 ( 1.550 1.224 1.281) 2.354 12.195 ( 3.677 -5.667 2.326) 7.144 12.332 ( 0.690 -0.668 -2.620) 2.790 12.594 ( 5.127 4.600 -5.662) 8.916 12.763 ( 5.443 3.414 -0.644) 6.457 12.924 ( 1.176 -0.225 -1.054) 1.595 12.986 ( -0.904 -2.144 -1.024) 2.543 13.255 ( -1.679 -2.104 -2.935) 3.982 13.319 ( -6.804 2.249 4.516) 8.471 13.425 ( 0.823 -1.054 -7.972) 8.083 13.479 ( -0.772 1.144 -5.702) 5.866 13.661 ( 1.363 -0.160 -0.240) 1.393 13.805 ( -3.209 -7.103 1.508) 7.939 14.141 ( 2.596 6.213 -10.274) 12.284 14.410 ( -2.116 -5.975 -2.029) 6.656 14.568 ( -1.394 1.358 7.593) 7.838 14.581 ( -2.173 0.174 11.549) 11.753 15.984 ( 0.287 2.251 -0.493) 2.322 16.102 ( 0.501 -2.697 -0.732) 2.839 16.228 ( 1.038 1.747 -0.248) 2.048 16.267 ( 1.260 0.089 0.449) 1.341 16.461 ( -0.107 1.741 1.662) 2.409 16.523 ( 0.149 -0.336 0.540) 0.654 16.622 ( 0.414 0.185 1.196) 1.279 16.660 ( -0.001 -1.043 0.812) 1.322 17.231 ( -1.866 0.535 2.634) 3.272 17.293 ( -1.710 -0.747 0.332) 1.895 17.354 ( -2.259 -0.634 0.880) 2.506 17.366 ( -4.420 -1.385 3.255) 5.661 19.410 ( 11.280 0.693 -0.097) 11.302 19.429 ( 9.869 0.448 1.340) 9.970 19.735 ( 12.282 1.666 -0.237) 12.396 19.897 ( 15.827 -5.208 -7.228) 18.161 20.300 ( -6.450 1.342 2.167) 6.935 20.389 ( -5.354 -1.061 1.026) 5.553 20.643 ( -7.957 6.005 2.084) 10.184 20.856 ( -5.179 -1.883 -0.624) 5.546 22.015 ( -0.956 -0.220 -0.478) 1.091 22.072 ( -0.019 -1.558 1.025) 1.865 22.336 ( -1.770 5.407 -0.244) 5.695 22.529 ( -0.724 -0.794 0.355) 1.132 22.559 ( 0.639 -0.835 0.171) 1.065 22.619 ( -1.289 -1.517 0.325) 2.017 22.653 ( 0.049 0.525 1.209) 1.319 22.674 ( -2.488 -0.443 -1.826) 3.118 27.267 ( -0.444 0.323 1.549) 1.644 27.285 ( -0.828 -0.437 2.358) 2.537 27.416 ( 0.695 1.080 -0.624) 1.428 27.467 ( -1.011 -0.949 -0.668) 1.539 28.659 ( -1.287 1.432 2.331) 3.023 28.737 ( -2.316 -1.702 3.986) 4.914 28.993 ( 0.601 4.142 -1.003) 4.304 29.200 ( -2.746 -4.166 -1.652) 5.256 30.261 ( 0.659 0.483 0.291) 0.867 30.345 ( 1.225 -4.250 0.493) 4.450 30.682 ( 1.671 5.493 0.743) 5.790 30.754 ( 3.221 10.492 1.269) 11.048 31.022 ( 2.017 -10.609 -1.390) 10.888 31.242 ( 7.561 -9.058 -5.008) 12.817 31.628 ( -5.001 4.780 1.284) 7.036 31.742 ( -4.079 2.489 -2.254) 5.284 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -14.361 9.660 -3.247) 17.610 1.951 ( -7.411 -5.081 -0.892) 9.029 2.086 ( -0.930 5.584 3.713) 6.770 2.130 ( -14.506 6.521 -4.126) 16.431 2.259 ( 0.928 0.037 -2.258) 2.441 2.320 ( 3.809 0.732 -6.860) 7.881 2.422 ( 3.332 -5.941 3.287) 7.563 2.516 ( 1.250 -5.010 3.309) 6.133 2.636 ( 1.268 -4.461 6.743) 8.184 2.692 ( -3.012 -5.469 -2.372) 6.679 2.775 ( -2.035 -0.710 8.188) 8.467 2.815 ( -3.560 1.902 -2.469) 4.731 2.917 ( 1.226 -3.024 -0.875) 3.378 2.967 ( -1.727 -0.432 -0.664) 1.900 3.044 ( 2.317 4.275 -2.328) 5.391 3.082 ( 4.612 3.287 3.473) 6.644 3.151 ( -2.530 -0.994 0.484) 2.761 3.176 ( 4.139 -1.611 0.668) 4.492 3.270 ( 0.549 1.793 -1.177) 2.214 3.312 ( 3.843 2.765 3.352) 5.801 3.368 ( 2.966 6.544 -5.162) 8.847 3.533 ( 2.108 7.689 -4.258) 9.039 3.590 ( -0.823 1.833 -1.225) 2.353 3.640 ( -1.397 -4.834 -5.343) 7.339 3.688 ( 1.360 -3.639 1.212) 4.070 3.771 ( -3.559 4.014 3.438) 6.372 3.845 ( 7.143 -5.380 -1.576) 9.080 3.887 ( -5.358 0.252 2.099) 5.760 3.999 ( -6.688 -0.462 4.751) 8.217 4.015 ( -6.239 -3.141 0.648) 7.015 4.196 ( 1.886 1.464 -2.177) 3.231 4.311 ( 6.425 -1.065 -1.764) 6.748 4.343 ( 4.064 0.926 -0.780) 4.241 4.421 ( 4.645 0.060 -0.503) 4.673 4.606 ( -7.572 0.553 6.595) 10.057 4.635 ( 2.240 -2.403 2.554) 4.161 4.687 ( -1.937 0.533 2.794) 3.441 4.767 ( -0.449 3.548 -4.410) 5.678 4.796 ( 2.532 -1.183 2.619) 3.830 4.859 ( -1.631 3.120 -0.938) 3.644 4.993 ( 1.661 0.382 1.934) 2.577 5.016 ( 5.171 -1.540 -4.965) 7.332 5.111 ( -3.046 -2.784 -6.051) 7.325 5.142 ( -0.850 -3.188 -3.677) 4.941 5.183 ( -0.888 1.061 -0.744) 1.571 5.268 ( -0.013 4.948 -3.481) 6.050 5.316 ( 2.637 -1.169 3.171) 4.286 5.385 ( 0.860 4.437 0.124) 4.522 5.448 ( 0.555 1.575 0.427) 1.724 5.586 ( -0.099 -4.354 6.538) 7.856 5.638 ( 3.688 4.536 0.001) 5.846 5.679 ( -2.630 4.418 -1.315) 5.307 5.791 ( -1.274 0.594 -3.469) 3.743 5.864 ( -4.313 3.578 0.237) 5.609 5.908 ( 3.828 1.323 0.025) 4.050 5.995 ( 1.722 -5.097 -0.538) 5.407 6.054 ( -0.966 -4.231 -0.371) 4.355 6.133 ( 0.532 -3.514 2.801) 4.525 6.384 ( 3.287 -0.840 -2.609) 4.280 6.418 ( 3.732 1.066 -1.411) 4.130 6.710 ( 1.393 0.069 -1.491) 2.042 6.801 ( -1.399 -2.502 2.252) 3.645 6.911 ( -1.062 -0.481 -1.156) 1.642 6.941 ( -1.787 -1.904 0.344) 2.634 6.982 ( 0.813 -0.622 1.840) 2.106 7.039 ( -0.405 -2.008 2.003) 2.865 7.073 ( 1.041 2.152 1.879) 3.041 7.268 ( -1.391 -3.743 -4.175) 5.778 7.282 ( 2.190 2.220 2.105) 3.762 7.408 ( -0.840 -2.517 -4.986) 5.648 7.488 ( -2.327 2.966 -3.287) 5.001 7.599 ( -4.796 -3.784 0.679) 6.147 7.710 ( 2.711 -0.248 -0.445) 2.758 7.741 ( -0.477 -1.363 4.274) 4.512 7.856 ( 0.112 4.058 -2.732) 4.893 7.917 ( 0.271 -0.821 0.973) 1.302 8.028 ( -1.212 3.778 3.587) 5.348 8.145 ( -0.318 -1.008 0.420) 1.137 8.266 ( -0.557 1.097 -0.193) 1.245 8.273 ( 1.113 2.281 -0.273) 2.553 8.457 ( -0.167 -2.056 0.447) 2.111 8.494 ( -0.951 -2.958 -0.580) 3.161 8.650 ( 1.667 4.874 -0.702) 5.199 8.700 ( -1.138 2.771 -1.268) 3.253 9.791 ( 0.586 -1.990 -3.237) 3.845 9.837 ( -0.082 -3.125 1.110) 3.317 9.927 ( -2.838 0.195 1.777) 3.354 9.944 ( 0.463 -0.945 4.403) 4.527 10.104 ( 1.187 0.220 0.838) 1.469 10.128 ( 0.011 0.408 0.286) 0.498 10.256 ( 1.130 -0.339 3.256) 3.463 10.287 ( 0.623 -0.360 4.609) 4.665 10.572 ( 1.108 7.124 5.960) 9.354 10.845 ( 1.582 1.283 3.318) 3.893 10.916 ( -2.041 -7.331 -0.618) 7.634 11.058 ( -4.681 -6.423 -0.512) 7.964 11.216 ( -1.898 3.562 -0.560) 4.074 11.263 ( 2.115 2.598 -0.318) 3.365 11.312 ( 0.090 -4.654 2.311) 5.196 11.471 ( 1.989 -1.715 1.514) 3.032 11.576 ( 1.021 5.978 1.303) 6.203 11.651 ( 0.117 1.768 -4.087) 4.455 11.687 ( -1.112 -4.188 -0.098) 4.334 11.796 ( -0.579 -0.178 -5.947) 5.978 11.845 ( -0.697 2.439 -0.877) 2.685 11.957 ( 0.747 -2.113 -4.295) 4.844 12.044 ( -0.066 0.681 1.920) 2.038 12.129 ( 1.631 5.745 1.992) 6.296 12.307 ( 0.420 -6.391 3.200) 7.160 12.334 ( 5.426 0.583 1.151) 5.578 12.600 ( 1.105 3.551 -5.910) 6.983 12.847 ( 2.764 0.701 -1.646) 3.293 12.913 ( 0.191 0.839 -2.129) 2.296 12.949 ( -0.807 -1.059 -3.346) 3.601 13.145 ( -5.683 2.775 -6.615) 9.152 13.202 ( -5.494 2.230 -0.973) 6.009 13.367 ( 2.955 -2.275 -10.600) 11.237 13.488 ( 6.584 -2.043 -6.541) 9.503 13.699 ( 1.233 -1.815 -1.136) 2.471 13.784 ( -1.604 -4.651 5.483) 7.367 14.104 ( 2.766 4.449 -8.260) 9.781 14.311 ( -2.756 -5.482 -6.736) 9.111 14.610 ( -1.668 3.320 9.365) 10.075 14.687 ( -2.017 -0.440 13.808) 13.961 15.982 ( 0.024 2.289 -0.627) 2.373 16.096 ( -0.074 -2.414 -1.549) 2.869 16.235 ( 0.030 1.451 -0.070) 1.453 16.281 ( -0.081 -0.447 0.608) 0.759 16.473 ( -0.598 1.803 2.135) 2.858 16.534 ( 0.077 -0.197 1.246) 1.264 16.632 ( -0.529 0.033 1.197) 1.309 16.666 ( -0.234 -0.971 1.112) 1.495 17.220 ( -1.059 -0.344 0.966) 1.474 17.277 ( -1.319 -1.685 1.032) 2.376 17.325 ( -2.167 -0.141 2.287) 3.154 17.346 ( 0.221 -0.524 0.804) 0.985 19.510 ( -2.079 0.896 0.122) 2.267 19.533 ( 1.037 0.119 0.191) 1.061 19.885 ( 1.634 2.677 2.121) 3.786 20.081 ( 8.942 -6.040 -3.012) 11.203 20.237 ( -0.968 1.227 1.760) 2.354 20.344 ( -1.382 -2.138 3.539) 4.360 20.560 ( -2.310 6.858 1.583) 7.408 20.786 ( -0.494 -1.746 -2.280) 2.914 22.013 ( 0.666 -0.090 0.443) 0.805 22.068 ( -0.836 -1.162 -0.034) 1.432 22.323 ( 0.310 4.824 0.470) 4.857 22.513 ( -1.026 -1.880 -1.094) 2.405 22.555 ( -0.748 -0.300 -0.631) 1.024 22.610 ( 0.067 -1.137 0.563) 1.271 22.629 ( -0.233 1.287 -0.850) 1.560 22.680 ( 1.254 -0.844 0.912) 1.765 27.272 ( -0.620 0.350 1.614) 1.764 27.293 ( -0.776 -0.526 2.709) 2.866 27.418 ( 0.132 0.660 -1.032) 1.232 27.450 ( 0.162 -0.629 -0.850) 1.070 28.663 ( -0.815 1.156 2.739) 3.083 28.734 ( -2.001 -1.775 3.958) 4.777 28.993 ( 0.473 3.849 -1.253) 4.076 29.169 ( 1.060 -3.304 -1.439) 3.756 30.275 ( 0.224 0.438 0.995) 1.110 30.358 ( -0.216 -4.034 0.437) 4.064 30.697 ( -0.477 4.630 2.097) 5.105 30.799 ( -0.342 10.426 0.778) 10.460 31.030 ( 0.401 -10.120 -1.266) 10.207 31.289 ( 2.576 -10.588 -5.395) 12.159 31.568 ( -1.820 6.254 -0.598) 6.541 31.682 ( 0.259 2.883 -3.503) 4.545 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -17.755 12.623 1.939) 21.871 1.713 ( -19.921 10.923 -2.404) 22.846 1.807 ( -11.895 -8.193 -3.444) 14.848 2.060 ( -2.630 3.234 1.332) 4.376 2.214 ( -7.639 -4.707 2.811) 9.402 2.285 ( -2.546 -0.195 -3.770) 4.554 2.484 ( -1.456 -3.965 -3.695) 5.612 2.513 ( -3.636 -0.043 2.929) 4.669 2.574 ( -0.392 -5.644 3.340) 6.570 2.691 ( -9.019 -1.005 -1.947) 9.281 2.721 ( -0.613 -3.855 1.736) 4.272 2.834 ( 3.066 -2.207 -2.284) 4.414 2.892 ( -12.150 2.155 1.835) 12.475 2.916 ( -12.351 3.161 3.979) 13.356 2.978 ( -1.955 2.640 -1.214) 3.502 3.028 ( -2.150 5.770 1.684) 6.384 3.125 ( -4.141 3.715 -0.659) 5.602 3.209 ( 2.321 3.220 0.220) 3.975 3.276 ( 0.507 -0.610 -1.057) 1.322 3.337 ( -1.154 3.148 2.808) 4.373 3.396 ( 2.465 6.262 -2.041) 7.032 3.514 ( -4.135 -7.448 -3.949) 9.390 3.572 ( 4.596 2.090 -1.323) 5.219 3.605 ( -4.574 -0.619 -1.643) 4.899 3.693 ( 5.486 2.414 -2.052) 6.335 3.787 ( -2.323 -0.296 -0.162) 2.347 3.795 ( -0.229 -4.286 2.847) 5.151 3.867 ( -4.418 -3.436 0.702) 5.641 3.939 ( 0.926 -0.801 -3.629) 3.830 4.029 ( 1.790 -0.191 1.629) 2.428 4.180 ( -1.201 2.713 -0.744) 3.059 4.278 ( -7.307 0.872 -2.472) 7.763 4.386 ( -0.366 0.995 -0.778) 1.315 4.489 ( 0.895 -3.793 1.416) 4.146 4.559 ( -1.051 -1.828 0.423) 2.151 4.644 ( -2.110 -7.039 2.199) 7.671 4.752 ( 5.474 0.441 4.067) 6.834 4.793 ( 5.449 -0.500 1.852) 5.777 4.873 ( 1.205 -0.935 2.358) 2.808 4.924 ( 0.692 -1.862 -2.564) 3.244 4.982 ( 3.489 -1.024 -0.662) 3.696 5.022 ( 5.172 1.382 -1.000) 5.446 5.067 ( 1.513 -1.501 -5.919) 6.291 5.171 ( 6.858 -0.578 2.242) 7.238 5.195 ( 2.208 3.348 -0.555) 4.049 5.250 ( 1.522 8.585 -5.376) 10.243 5.358 ( 2.272 -2.405 -1.049) 3.470 5.438 ( 1.657 5.160 2.582) 6.003 5.488 ( 2.733 4.869 -0.279) 5.591 5.567 ( -8.016 4.980 -2.764) 9.833 5.602 ( 0.347 2.728 1.524) 3.144 5.706 ( 2.862 0.010 -0.264) 2.875 5.778 ( -2.432 3.188 1.863) 4.421 5.817 ( 3.412 -2.405 1.837) 4.561 5.977 ( 4.503 -3.555 -3.067) 6.506 6.009 ( -1.701 -3.112 -1.583) 3.884 6.058 ( 1.708 -2.995 4.151) 5.396 6.199 ( 2.393 -2.671 3.348) 4.907 6.420 ( 2.604 -0.166 -1.483) 3.001 6.442 ( 1.050 0.630 -3.388) 3.602 6.727 ( 0.339 0.463 -0.519) 0.774 6.796 ( -3.201 -3.011 4.445) 6.250 6.879 ( -2.402 -2.064 -1.380) 3.455 6.889 ( -2.405 -1.595 -0.096) 2.888 6.999 ( -1.291 -0.039 -0.135) 1.299 7.042 ( 1.803 -0.307 0.596) 1.923 7.073 ( -0.888 1.079 -0.107) 1.401 7.207 ( -1.837 -2.653 -1.866) 3.728 7.318 ( -1.166 3.523 2.661) 4.566 7.359 ( -1.354 -0.557 -1.579) 2.153 7.451 ( -0.246 -1.188 0.215) 1.232 7.506 ( -1.513 -1.029 -2.175) 2.843 7.681 ( -4.704 3.033 -0.832) 5.658 7.817 ( 2.772 -1.867 4.263) 5.417 7.861 ( 3.625 4.384 -4.276) 7.117 7.974 ( 4.469 -1.710 0.869) 4.863 8.057 ( 0.423 0.681 3.274) 3.371 8.163 ( 1.752 -3.098 -0.252) 3.568 8.269 ( 1.654 2.302 -1.785) 3.350 8.316 ( 4.824 3.484 -1.204) 6.071 8.461 ( 0.688 -2.812 1.448) 3.237 8.539 ( 5.136 -2.802 -1.078) 5.949 8.682 ( 1.664 4.631 0.250) 4.927 8.715 ( 4.485 3.055 -0.953) 5.510 9.772 ( 0.373 -2.670 -2.960) 4.003 9.826 ( -1.490 -3.906 -0.112) 4.182 9.914 ( -0.663 0.600 2.126) 2.306 9.965 ( -1.567 -1.633 1.435) 2.679 10.119 ( -0.307 -0.397 2.670) 2.716 10.151 ( -0.049 -0.421 4.043) 4.065 10.304 ( 0.663 1.585 4.540) 4.854 10.347 ( 1.337 -0.011 4.201) 4.409 10.607 ( -4.745 6.949 7.932) 11.564 10.804 ( -7.961 -2.651 -0.213) 8.394 10.935 ( 0.606 0.075 4.112) 4.157 10.976 ( 0.051 -5.211 -0.264) 5.218 11.166 ( -2.020 1.839 -1.798) 3.270 11.292 ( -0.464 -3.112 -0.596) 3.202 11.364 ( 4.159 2.171 2.410) 5.274 11.502 ( 1.008 4.229 -1.177) 4.504 11.586 ( -1.296 1.068 -5.984) 6.215 11.623 ( -3.669 0.373 2.428) 4.415 11.652 ( -1.731 -0.274 -0.651) 1.870 11.697 ( 0.554 -2.903 -3.987) 4.963 11.888 ( 4.066 -2.089 -0.712) 4.627 11.952 ( 1.552 -5.566 -2.272) 6.209 12.071 ( 1.290 3.769 3.662) 5.411 12.170 ( 0.515 4.287 1.454) 4.556 12.309 ( 1.955 1.408 -2.668) 3.594 12.484 ( 2.621 -7.987 4.915) 9.738 12.547 ( 0.354 4.896 -1.277) 5.072 12.791 ( -1.547 -1.604 -8.499) 8.786 12.872 ( -1.479 1.150 -4.917) 5.262 12.902 ( -3.171 -0.571 -3.503) 4.759 12.992 ( -4.989 5.823 -2.832) 8.174 13.163 ( 3.617 -1.214 -6.769) 7.770 13.342 ( 3.907 -0.895 -7.588) 8.582 13.570 ( 6.967 -3.805 -3.205) 8.561 13.679 ( 0.379 -0.176 -3.829) 3.852 13.834 ( 3.423 -3.561 0.173) 4.942 14.079 ( 1.441 4.746 -6.911) 8.507 14.233 ( -0.321 -3.561 -3.277) 4.850 14.643 ( -4.548 3.005 9.361) 10.832 14.734 ( -6.088 -0.740 12.600) 14.014 15.976 ( 0.004 2.012 -0.468) 2.066 16.074 ( -0.531 -2.025 -1.947) 2.859 16.230 ( -0.521 1.011 -0.047) 1.139 16.274 ( -1.401 -0.723 0.664) 1.711 16.477 ( -0.921 2.050 1.955) 2.978 16.547 ( 0.035 -0.482 1.537) 1.612 16.630 ( -0.761 0.440 1.318) 1.584 16.673 ( -0.359 -0.959 1.595) 1.895 17.212 ( -0.300 -1.189 -0.386) 1.286 17.249 ( -2.889 -2.898 2.339) 4.713 17.342 ( 1.913 1.220 1.284) 2.607 17.373 ( 1.562 -0.397 1.244) 2.036 19.378 ( -11.116 1.493 -0.345) 11.221 19.452 ( -9.579 -1.330 1.101) 9.734 19.793 ( -12.623 4.575 1.347) 13.494 20.099 ( -4.673 -8.486 -1.836) 9.860 20.310 ( 5.405 0.240 0.845) 5.476 20.405 ( 3.637 -3.794 4.934) 7.209 20.617 ( 6.624 7.360 1.425) 10.004 20.803 ( 4.576 -0.423 -2.955) 5.463 22.020 ( -0.938 0.732 -0.183) 1.203 22.074 ( 2.146 -0.356 0.762) 2.305 22.348 ( 1.163 2.361 1.520) 3.040 22.464 ( -1.894 -2.106 -3.048) 4.161 22.553 ( 0.555 2.288 0.834) 2.498 22.605 ( 0.019 2.181 -0.355) 2.210 22.665 ( 2.400 -2.242 0.725) 3.363 22.721 ( 3.583 -0.932 0.290) 3.713 27.273 ( -0.891 0.342 1.628) 1.887 27.305 ( -0.977 -1.240 3.174) 3.545 27.409 ( 0.147 1.508 -0.654) 1.650 27.458 ( 1.416 -0.700 -1.062) 1.903 28.678 ( -0.598 0.753 3.196) 3.337 28.738 ( -1.788 -2.023 4.499) 5.247 28.995 ( 1.247 5.805 -0.584) 5.966 29.211 ( 5.059 -3.335 -1.723) 6.299 30.284 ( -0.414 0.339 1.416) 1.514 30.347 ( -1.263 -2.816 0.161) 3.090 30.708 ( -0.816 4.238 2.063) 4.784 30.750 ( -5.712 8.106 1.590) 10.043 31.017 ( -0.520 -8.876 -1.569) 9.029 31.234 ( -2.416 -12.861 -7.184) 14.929 31.550 ( 0.363 7.417 -0.862) 7.476 31.689 ( 4.182 3.519 -3.856) 6.688 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -18.149 15.014 14.180) 27.493 1.304 ( -23.618 17.851 1.334) 29.635 1.624 ( -7.207 -12.019 0.705) 14.031 2.040 ( -7.880 -10.839 6.405) 14.853 2.070 ( -9.961 1.730 6.546) 12.044 2.178 ( -13.487 2.915 4.004) 14.368 2.259 ( -22.183 11.362 2.354) 25.034 2.425 ( -7.487 1.942 3.463) 8.475 2.496 ( -10.691 -4.408 3.137) 11.982 2.513 ( -4.329 2.320 -3.760) 6.185 2.637 ( -9.304 2.437 -1.034) 9.673 2.699 ( -0.700 1.179 -4.177) 4.396 2.813 ( -3.014 2.586 -4.984) 6.373 2.868 ( -1.898 3.117 3.033) 4.745 2.941 ( 3.588 -1.043 -0.633) 3.790 2.997 ( -3.403 6.725 -5.728) 9.467 3.081 ( 1.574 1.829 -1.195) 2.693 3.201 ( -4.969 -3.967 -3.297) 7.163 3.223 ( -4.314 -1.667 -0.609) 4.664 3.294 ( -3.823 -0.159 5.161) 6.425 3.413 ( -3.144 -3.354 -5.343) 7.049 3.502 ( -0.723 1.827 -0.925) 2.172 3.523 ( 5.998 0.786 0.571) 6.077 3.608 ( 1.895 -1.460 -0.176) 2.399 3.649 ( -4.397 -0.604 -2.685) 5.187 3.700 ( -3.935 -4.385 -3.565) 6.886 3.855 ( -2.221 0.354 -2.812) 3.601 3.892 ( 7.803 2.453 -2.474) 8.546 3.964 ( -1.667 -7.681 4.680) 9.148 4.059 ( 3.734 -4.023 4.294) 6.969 4.099 ( -3.193 4.400 -3.678) 6.564 4.184 ( -0.969 -0.618 -1.459) 1.857 4.323 ( -4.899 0.389 0.771) 4.975 4.528 ( 0.704 -3.466 0.468) 3.568 4.574 ( 4.564 -5.198 -0.381) 6.928 4.609 ( -1.664 -6.288 -0.574) 6.530 4.805 ( -0.961 -3.633 -1.485) 4.041 4.848 ( -0.126 -4.507 0.523) 4.539 4.919 ( 5.574 0.255 -0.042) 5.580 4.960 ( -0.081 -1.644 6.209) 6.423 5.046 ( 4.260 2.167 -1.334) 4.962 5.101 ( 0.350 0.367 -0.673) 0.843 5.151 ( 5.254 0.065 1.845) 5.569 5.211 ( -0.089 0.766 -3.882) 3.958 5.275 ( 6.634 9.032 -1.952) 11.375 5.319 ( 7.498 1.840 -1.672) 7.900 5.406 ( -0.672 7.274 -2.696) 7.787 5.422 ( 4.548 3.625 -3.518) 6.797 5.475 ( 2.015 4.053 3.748) 5.877 5.544 ( 3.099 4.313 -1.121) 5.428 5.640 ( 2.012 2.450 -0.456) 3.203 5.731 ( 0.919 1.539 -0.017) 1.793 5.791 ( -0.347 1.353 1.240) 1.868 5.837 ( -4.083 -4.639 4.219) 7.483 5.968 ( -0.629 -3.295 -1.989) 3.900 6.049 ( 5.511 -5.956 -3.633) 8.891 6.125 ( 2.753 0.012 3.342) 4.330 6.228 ( -0.547 -1.565 -1.585) 2.293 6.408 ( 0.342 2.578 -6.206) 6.729 6.452 ( 2.972 1.901 -2.888) 4.559 6.678 ( -5.275 0.448 1.519) 5.507 6.756 ( -6.375 -3.907 4.875) 8.926 6.799 ( -2.400 -0.577 -2.639) 3.613 6.870 ( -2.364 -1.808 2.857) 4.126 6.991 ( 2.810 0.851 -0.083) 2.938 7.065 ( -0.041 1.316 1.835) 2.259 7.130 ( 5.179 -0.975 0.445) 5.288 7.185 ( 0.335 -1.687 0.032) 1.720 7.310 ( -0.522 1.392 0.730) 1.656 7.371 ( 1.471 0.955 5.384) 5.663 7.407 ( -2.092 0.435 -0.457) 2.185 7.521 ( -0.996 7.107 -2.481) 7.593 7.587 ( -3.321 -1.649 3.572) 5.148 7.886 ( 2.233 -1.558 -3.250) 4.240 7.899 ( 3.032 0.016 2.760) 4.100 8.065 ( 4.992 -1.823 -0.783) 5.371 8.096 ( 2.168 -1.800 1.631) 3.256 8.172 ( -0.067 -3.214 -0.576) 3.266 8.301 ( 3.359 4.142 -1.153) 5.455 8.417 ( 7.316 3.444 -1.749) 8.273 8.513 ( 3.258 -1.387 1.360) 3.793 8.627 ( 5.516 -0.863 -0.995) 5.671 8.734 ( 4.337 5.130 -1.167) 6.818 8.795 ( 4.003 0.868 -0.016) 4.096 9.754 ( 0.392 -2.037 -2.641) 3.358 9.805 ( 0.839 -2.918 -1.412) 3.349 9.914 ( -1.527 0.079 -1.357) 2.044 9.938 ( -2.006 -1.049 3.579) 4.235 10.120 ( -4.320 -1.000 6.227) 7.645 10.183 ( -1.664 -3.055 4.592) 5.761 10.361 ( -0.090 3.566 7.361) 8.180 10.413 ( 3.998 1.213 0.203) 4.183 10.556 ( -7.914 3.463 8.499) 12.118 10.668 ( -6.153 -3.065 0.508) 6.893 10.930 ( -1.457 0.336 0.860) 1.725 11.018 ( -2.176 0.545 2.334) 3.238 11.152 ( 1.892 -1.438 -0.132) 2.380 11.266 ( -1.166 -4.089 -1.068) 4.384 11.401 ( -3.389 1.094 -1.136) 3.738 11.434 ( -6.238 0.962 -6.666) 9.180 11.512 ( 1.867 2.552 0.821) 3.267 11.590 ( 2.114 6.416 0.056) 6.755 11.617 ( -0.371 -2.626 -0.988) 2.830 11.765 ( 1.677 -3.477 4.330) 5.800 11.923 ( 2.357 -4.438 -4.783) 6.938 11.968 ( 2.028 -5.173 -1.673) 5.803 12.122 ( -0.865 3.997 0.051) 4.089 12.178 ( 1.446 1.769 -0.320) 2.307 12.326 ( 3.332 2.867 -7.453) 8.652 12.411 ( -3.114 -3.543 -4.269) 6.362 12.662 ( -3.648 -0.128 2.064) 4.193 12.719 ( 7.286 -2.665 0.380) 7.767 12.807 ( -1.868 0.108 -3.348) 3.836 12.822 ( -0.684 0.485 -2.246) 2.397 12.897 ( -2.244 3.806 -7.618) 8.807 13.105 ( 0.374 -5.437 -13.029) 14.123 13.398 ( 3.626 0.481 2.970) 4.711 13.591 ( -0.513 -9.735 -6.293) 11.603 13.748 ( 12.721 9.493 -2.487) 16.066 13.909 ( 4.976 0.100 -0.165) 4.980 14.036 ( -0.639 7.016 -3.423) 7.832 14.236 ( 1.253 -3.618 0.923) 3.939 14.612 ( -6.864 2.001 6.946) 9.968 14.699 ( -9.412 -1.072 11.189) 14.660 15.976 ( 0.307 1.465 0.007) 1.497 16.047 ( -0.515 -1.849 -1.668) 2.543 16.215 ( -1.129 0.403 -0.102) 1.203 16.245 ( -2.412 -0.649 0.616) 2.573 16.479 ( -0.212 2.878 1.229) 3.137 16.563 ( 0.404 -1.020 1.048) 1.518 16.633 ( -0.296 1.191 1.653) 2.059 16.680 ( -0.709 -0.770 1.808) 2.089 17.191 ( -1.347 -0.964 -0.498) 1.730 17.245 ( -0.002 -2.985 2.908) 4.167 17.402 ( 3.196 0.749 1.415) 3.575 17.419 ( 1.948 -0.110 2.075) 2.848 19.164 ( -11.512 1.569 -0.021) 11.618 19.259 ( -12.259 -2.242 1.236) 12.524 19.513 ( -17.928 4.674 -0.823) 18.546 19.887 ( -14.955 -13.723 -7.679) 21.701 20.403 ( 3.877 0.947 1.048) 4.126 20.518 ( 3.762 -4.358 3.924) 6.967 20.780 ( 8.803 5.166 2.794) 10.582 20.876 ( 5.971 1.475 -2.061) 6.486 21.998 ( -0.883 2.646 -0.253) 2.801 22.132 ( 2.821 -1.871 0.863) 3.494 22.383 ( 0.381 0.114 2.220) 2.255 22.413 ( -0.801 -0.477 -1.493) 1.760 22.575 ( 0.597 2.257 0.389) 2.367 22.628 ( 3.306 6.186 0.940) 7.077 22.697 ( 1.516 -3.090 -0.567) 3.489 22.821 ( 6.315 -1.427 0.506) 6.494 27.270 ( -1.056 0.247 1.627) 1.955 27.309 ( -1.576 -2.218 2.671) 3.813 27.425 ( 1.626 2.179 1.013) 2.901 27.477 ( 1.724 -0.582 -1.049) 2.101 28.696 ( -0.738 0.485 3.296) 3.413 28.750 ( -1.815 -2.871 5.316) 6.309 29.055 ( 5.606 9.703 2.759) 11.541 29.309 ( 7.865 -2.752 -2.656) 8.746 30.284 ( -1.031 0.284 1.288) 1.674 30.319 ( -1.690 -1.323 -0.189) 2.155 30.607 ( -9.593 5.155 0.821) 10.921 30.731 ( -1.182 2.706 3.368) 4.479 30.974 ( -2.525 -8.926 -6.085) 11.094 31.069 ( -7.089 -13.043 -8.869) 17.292 31.566 ( 1.150 7.955 2.052) 8.296 31.766 ( 7.915 3.698 -2.029) 8.969 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -15.779 18.011 16.457) 29.055 0.978 ( -17.031 21.957 18.855) 33.581 1.598 ( -2.995 -9.352 10.747) 14.557 1.640 ( -31.643 31.585 16.963) 47.819 1.895 ( -11.633 -20.354 7.613) 24.649 2.103 ( -5.763 1.269 -0.676) 5.940 2.136 ( -4.885 1.520 -0.394) 5.131 2.202 ( -9.214 2.516 -8.148) 12.555 2.364 ( -4.282 -2.221 7.441) 8.868 2.436 ( -6.543 7.220 2.334) 10.019 2.519 ( -3.538 -2.182 3.612) 5.507 2.639 ( 1.040 6.088 -0.501) 6.197 2.750 ( -4.019 7.944 -3.513) 9.571 2.863 ( -3.805 0.808 2.126) 4.433 2.896 ( 0.411 2.137 -4.991) 5.445 2.964 ( -5.422 0.889 0.739) 5.544 3.045 ( 4.574 2.059 0.448) 5.036 3.100 ( -3.725 -6.353 -3.315) 8.077 3.233 ( 0.665 0.785 0.618) 1.200 3.260 ( -0.264 -1.069 -0.873) 1.405 3.326 ( -0.012 -3.965 1.272) 4.164 3.440 ( -2.878 -1.589 -1.833) 3.764 3.499 ( -4.315 -1.482 -4.893) 6.690 3.656 ( 3.189 -5.269 -2.132) 6.518 3.663 ( 3.455 2.399 -0.556) 4.243 3.695 ( 3.706 -3.714 -2.274) 5.718 3.794 ( -5.340 -12.124 1.205) 13.302 3.884 ( 2.033 -2.157 -1.561) 3.350 3.991 ( 0.866 1.125 -3.248) 3.545 4.045 ( 1.290 2.952 -2.745) 4.233 4.150 ( -1.250 -1.296 -0.044) 1.801 4.202 ( 2.528 0.929 4.057) 4.870 4.272 ( -1.699 -1.509 1.362) 2.649 4.518 ( -0.364 -5.242 -2.184) 5.691 4.616 ( 2.408 0.348 -0.098) 2.435 4.674 ( 4.387 -4.822 0.476) 6.537 4.801 ( 2.978 -1.184 -1.045) 3.371 4.849 ( -0.546 -4.110 0.838) 4.230 4.939 ( -3.556 1.493 1.283) 4.065 5.025 ( 4.060 -1.821 0.451) 4.472 5.054 ( -2.523 -0.705 -1.500) 3.018 5.089 ( -0.263 -2.688 -1.730) 3.207 5.137 ( -2.900 1.650 -2.040) 3.911 5.211 ( -1.295 -2.161 3.158) 4.040 5.334 ( 4.142 8.376 -2.477) 9.667 5.395 ( 2.767 5.089 -1.928) 6.105 5.445 ( 3.891 3.128 -0.032) 4.993 5.482 ( 4.423 4.675 -3.199) 7.187 5.560 ( 1.565 6.034 0.028) 6.233 5.597 ( 2.369 1.660 -1.732) 3.372 5.643 ( 2.182 0.139 -2.980) 3.696 5.735 ( 0.410 0.738 -0.599) 1.036 5.795 ( 0.097 2.178 0.269) 2.196 5.827 ( 1.392 -0.224 2.617) 2.972 5.898 ( -5.779 -3.098 -1.124) 6.652 6.073 ( 0.455 -7.860 -1.846) 8.086 6.173 ( 1.061 1.979 -5.834) 6.251 6.236 ( 5.706 1.082 -4.631) 7.428 6.346 ( 0.040 2.671 -6.187) 6.739 6.442 ( 0.487 2.651 -6.756) 7.274 6.623 ( -3.433 1.165 5.235) 6.368 6.691 ( -3.280 -1.375 2.161) 4.162 6.760 ( -0.475 1.660 0.504) 1.799 6.889 ( 0.508 -3.367 2.840) 4.434 7.051 ( 1.335 -0.323 1.530) 2.056 7.101 ( 1.618 1.085 1.872) 2.702 7.195 ( 3.027 -1.243 0.384) 3.294 7.214 ( 2.707 0.251 -0.714) 2.811 7.322 ( -0.560 -0.307 0.668) 0.924 7.381 ( -1.777 1.680 -0.475) 2.492 7.457 ( 0.713 7.435 -0.044) 7.470 7.502 ( 3.220 -1.550 9.723) 10.359 7.602 ( -2.084 -2.438 4.624) 5.627 7.880 ( 2.215 -7.585 -3.243) 8.541 7.985 ( 3.822 3.069 3.317) 5.918 8.122 ( 0.292 0.827 0.957) 1.298 8.162 ( 3.025 -1.205 0.145) 3.260 8.216 ( 5.910 -0.288 1.029) 6.006 8.335 ( 1.424 1.858 0.574) 2.410 8.481 ( 0.831 -3.715 -4.408) 5.824 8.621 ( 9.212 6.976 1.639) 11.671 8.708 ( 4.673 2.890 -2.107) 5.885 8.785 ( 2.283 3.254 -2.382) 4.634 8.837 ( 1.120 -0.178 -0.381) 1.196 9.748 ( 1.073 1.642 -1.312) 2.360 9.837 ( 4.071 -1.073 -2.849) 5.083 9.863 ( -0.747 -0.227 -2.391) 2.516 9.943 ( -1.291 -2.370 2.694) 3.813 10.088 ( -6.349 -3.684 8.387) 11.145 10.165 ( -5.694 -4.513 7.530) 10.464 10.417 ( -2.397 2.305 -0.802) 3.420 10.468 ( 3.448 4.376 8.015) 9.761 10.566 ( 0.641 -1.927 9.883) 10.089 10.593 ( -4.325 -5.436 -0.426) 6.959 10.832 ( -9.945 2.076 -1.190) 10.229 10.892 ( -12.349 -0.308 -2.972) 12.705 11.178 ( -2.445 -4.691 -3.342) 6.257 11.230 ( 3.144 -1.375 -0.720) 3.506 11.345 ( 2.185 0.581 -1.045) 2.490 11.363 ( 0.343 0.176 0.727) 0.823 11.551 ( -0.605 0.307 2.091) 2.199 11.577 ( -4.940 -1.288 -1.114) 5.225 11.650 ( 1.370 1.282 -0.842) 2.056 11.782 ( -2.500 -3.787 -0.038) 4.538 11.898 ( 0.630 0.383 -7.485) 7.522 11.970 ( 2.120 -3.090 -5.101) 6.329 12.054 ( -2.400 4.366 -6.013) 7.809 12.137 ( 0.680 0.091 -17.180) 17.194 12.278 ( -0.852 -3.813 -2.601) 4.693 12.318 ( -0.918 -2.514 -9.307) 9.684 12.597 ( 0.568 7.178 -1.791) 7.420 12.726 ( 0.533 9.032 -15.706) 18.125 12.764 ( -0.316 0.132 -2.690) 2.712 12.841 ( 1.362 -0.485 3.333) 3.633 12.935 ( 4.577 -3.190 15.979) 16.925 13.064 ( -0.439 -2.252 5.378) 5.847 13.479 ( 3.389 -3.976 -0.043) 5.224 13.538 ( 3.169 -6.804 -7.588) 10.673 13.954 ( 0.257 3.015 1.052) 3.204 13.997 ( -1.063 6.024 3.176) 6.892 14.077 ( 15.971 9.081 5.203) 19.095 14.284 ( 2.984 -1.551 0.967) 3.499 14.537 ( -6.368 0.298 3.432) 7.240 14.648 ( -5.985 -4.860 14.832) 16.716 15.987 ( 0.498 0.920 0.597) 1.205 16.026 ( -0.910 -1.777 -0.473) 2.052 16.185 ( -1.750 0.150 -0.944) 1.994 16.205 ( -2.258 -0.514 0.203) 2.325 16.497 ( 1.847 3.869 -0.819) 4.365 16.574 ( 0.409 -1.185 -0.616) 1.397 16.642 ( -0.398 1.448 0.609) 1.620 16.675 ( -1.339 -0.519 1.107) 1.813 17.189 ( 0.933 1.203 2.720) 3.117 17.299 ( 2.406 -3.522 5.182) 6.712 17.461 ( 1.954 0.766 1.493) 2.576 17.482 ( 1.896 -0.253 3.105) 3.647 19.012 ( -4.693 0.662 0.358) 4.753 19.069 ( -9.229 -2.418 -0.145) 9.541 19.194 ( -15.151 2.909 -1.361) 15.488 19.417 ( -25.963 -10.174 -12.204) 30.439 20.462 ( 1.808 1.587 0.884) 2.563 20.592 ( 1.245 -4.718 2.276) 5.384 20.923 ( 4.453 2.409 0.700) 5.111 21.004 ( 8.148 -0.513 1.940) 8.392 21.990 ( -0.113 3.491 0.470) 3.524 22.171 ( 1.013 -3.496 -0.090) 3.641 22.382 ( 0.125 1.212 -0.188) 1.233 22.428 ( -0.333 -2.197 3.416) 4.075 22.582 ( 0.225 2.316 -0.024) 2.327 22.714 ( 1.615 -1.963 -0.958) 2.717 22.745 ( 7.749 6.213 0.319) 9.938 22.905 ( 2.851 -1.352 -3.669) 4.839 27.265 ( -1.051 0.122 1.653) 1.963 27.299 ( -2.041 -2.395 2.367) 3.938 27.470 ( 1.823 0.758 0.044) 1.975 27.497 ( 1.395 -0.393 -0.924) 1.719 28.707 ( -1.202 0.494 3.153) 3.410 28.763 ( -2.227 -3.571 5.407) 6.852 29.280 ( 14.978 8.802 3.052) 17.639 29.423 ( 7.752 -0.892 -4.628) 9.073 30.274 ( -0.816 0.432 0.819) 1.234 30.290 ( -0.965 -0.210 -0.557) 1.134 30.437 ( -9.487 1.694 1.161) 9.706 30.591 ( -18.350 -6.797 -16.601) 25.661 30.763 ( -3.280 2.452 2.421) 4.757 30.990 ( -0.294 -8.007 -0.734) 8.046 31.635 ( 1.585 6.567 7.288) 9.938 31.950 ( 12.054 -1.122 2.778) 12.421 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.646 -24.789 7.776) 25.988 1.270 ( -0.646 24.789 7.776) 25.988 1.463 ( -4.422 -17.252 27.268) 32.569 1.463 ( -4.422 17.252 27.268) 32.569 1.959 ( -0.217 -2.525 -11.096) 11.382 1.959 ( -0.217 2.525 -11.096) 11.382 2.245 ( -4.758 -23.923 9.338) 26.118 2.245 ( -4.758 23.923 9.338) 26.118 2.337 ( 1.284 -1.094 8.200) 8.372 2.337 ( 1.284 1.094 8.200) 8.372 2.578 ( 1.815 -11.296 -1.936) 11.604 2.578 ( 1.815 11.296 -1.936) 11.604 2.807 ( -1.751 -3.862 2.512) 4.929 2.807 ( -1.751 3.862 2.512) 4.929 2.948 ( 3.779 -5.088 4.357) 7.691 2.948 ( 3.779 5.088 4.357) 7.691 3.064 ( -4.410 -8.193 -3.758) 10.034 3.064 ( -4.410 8.193 -3.758) 10.034 3.231 ( 5.335 -5.773 2.624) 8.287 3.231 ( 5.335 5.773 2.624) 8.287 3.347 ( 1.245 -3.379 3.774) 5.217 3.347 ( 1.245 3.379 3.774) 5.217 3.473 ( -1.946 -8.770 -4.030) 9.846 3.473 ( -1.946 8.770 -4.030) 9.846 3.616 ( 2.116 -3.645 -3.345) 5.381 3.616 ( 2.116 3.645 -3.345) 5.381 3.819 ( 2.303 -7.562 -6.242) 10.073 3.819 ( 2.303 7.562 -6.242) 10.073 4.080 ( 2.309 -5.502 2.779) 6.583 4.080 ( 2.309 5.502 2.779) 6.583 4.140 ( -3.255 -2.697 2.195) 4.763 4.140 ( -3.255 2.697 2.195) 4.763 4.384 ( 1.580 -7.130 -3.440) 8.073 4.384 ( 1.580 7.130 -3.440) 8.073 4.644 ( -1.300 -1.510 -0.029) 1.992 4.644 ( -1.300 1.510 -0.029) 1.992 4.823 ( 0.706 -2.055 -3.059) 3.753 4.823 ( 0.706 2.055 -3.059) 3.753 4.909 ( -4.710 -0.628 -0.144) 4.754 4.909 ( -4.710 0.628 -0.144) 4.754 5.019 ( -0.095 -2.707 -2.347) 3.584 5.019 ( -0.095 2.707 -2.347) 3.584 5.176 ( 1.488 -2.096 4.248) 4.965 5.176 ( 1.488 2.096 4.248) 4.965 5.438 ( 0.999 -2.098 -5.162) 5.661 5.438 ( 0.999 2.098 -5.162) 5.661 5.549 ( 2.881 -2.171 -0.488) 3.640 5.549 ( 2.881 2.171 -0.488) 3.640 5.617 ( -1.516 -5.469 -5.489) 7.895 5.617 ( -1.516 5.469 -5.489) 7.895 5.712 ( 1.006 -1.927 -1.280) 2.523 5.712 ( 1.006 1.927 -1.280) 2.523 5.815 ( -1.473 -1.998 1.270) 2.788 5.815 ( -1.473 1.998 1.270) 2.788 5.914 ( 0.133 -6.132 3.259) 6.946 5.914 ( 0.133 6.132 3.259) 6.946 6.205 ( 2.033 -3.101 -11.547) 12.128 6.205 ( 2.033 3.101 -11.547) 12.128 6.369 ( 0.555 -2.919 -3.321) 4.456 6.369 ( 0.555 2.919 -3.321) 4.456 6.689 ( 1.728 -1.940 4.706) 5.376 6.689 ( 1.728 1.940 4.706) 5.376 6.844 ( 0.038 -2.596 2.363) 3.511 6.844 ( 0.038 2.596 2.363) 3.511 7.104 ( 1.053 -2.980 -1.343) 3.434 7.104 ( 1.053 2.980 -1.343) 3.434 7.193 ( -1.565 -1.277 -2.247) 3.021 7.193 ( -1.565 1.277 -2.247) 3.021 7.335 ( -1.497 -1.279 -0.377) 2.005 7.335 ( -1.497 1.279 -0.377) 2.005 7.504 ( -3.991 -1.833 4.320) 6.160 7.504 ( -3.991 1.833 4.320) 6.160 7.752 ( 3.219 -9.834 1.306) 10.430 7.752 ( 3.219 9.834 1.306) 10.430 8.110 ( -3.606 -4.141 -0.385) 5.504 8.110 ( -3.606 4.141 -0.385) 5.504 8.177 ( -1.675 -4.508 -0.304) 4.819 8.177 ( -1.675 4.508 -0.304) 4.819 8.407 ( 2.597 -2.616 1.013) 3.822 8.407 ( 2.597 2.616 1.013) 3.822 8.798 ( -1.592 -0.883 -0.279) 1.842 8.798 ( -1.592 0.883 -0.279) 1.842 8.870 ( 5.474 -2.076 -1.426) 6.025 8.870 ( 5.474 2.076 -1.426) 6.025 9.810 ( -1.572 -2.106 -2.897) 3.912 9.810 ( -1.572 2.106 -2.897) 3.912 9.906 ( 4.407 -2.980 1.234) 5.461 9.906 ( 4.407 2.980 1.234) 5.461 10.023 ( -8.214 -3.801 8.151) 12.180 10.023 ( -8.214 3.801 8.151) 12.180 10.332 ( -9.725 -2.181 1.005) 10.017 10.332 ( -9.725 2.181 1.005) 10.017 10.637 ( 2.590 -0.571 -2.481) 3.631 10.637 ( 2.590 0.571 -2.481) 3.631 10.756 ( 1.573 -1.386 4.507) 4.971 10.756 ( 1.573 1.386 4.507) 4.971 11.196 ( 2.636 -5.473 -2.999) 6.775 11.196 ( 2.636 5.473 -2.999) 6.775 11.403 ( -4.949 -3.205 -2.570) 6.432 11.403 ( -4.949 3.205 -2.570) 6.432 11.436 ( 5.662 -1.966 -4.388) 7.428 11.436 ( 5.662 1.966 -4.388) 7.428 11.672 ( 0.165 -1.813 -1.328) 2.254 11.672 ( 0.165 1.813 -1.328) 2.254 11.948 ( 1.667 -1.867 -0.352) 2.528 11.948 ( 1.667 1.867 -0.352) 2.528 12.069 ( 0.428 -3.420 -7.238) 8.017 12.069 ( 0.428 3.420 -7.238) 8.017 12.237 ( 2.920 -0.986 -3.233) 4.466 12.237 ( 2.920 0.986 -3.233) 4.466 12.718 ( 0.987 -1.904 -5.167) 5.594 12.718 ( 0.987 1.904 -5.167) 5.594 12.848 ( 0.726 -6.259 0.713) 6.342 12.848 ( 0.726 6.259 0.713) 6.342 13.088 ( 1.882 -2.798 13.585) 13.997 13.088 ( 1.882 2.798 13.585) 13.997 13.506 ( 6.116 -1.827 -5.227) 8.250 13.506 ( 6.116 1.827 -5.227) 8.250 13.972 ( -4.325 -2.427 -0.614) 4.998 13.972 ( -4.325 2.427 -0.614) 4.998 14.338 ( -0.100 -6.611 0.444) 6.626 14.338 ( -0.100 6.611 0.444) 6.626 14.535 ( -3.352 -9.166 11.417) 15.020 14.535 ( -3.352 9.166 11.417) 15.020 16.012 ( 0.324 -1.178 0.635) 1.377 16.012 ( 0.324 1.178 0.635) 1.377 16.169 ( 0.161 -0.482 -0.864) 1.002 16.169 ( 0.161 0.482 -0.864) 1.002 16.547 ( 0.085 -1.198 -2.567) 2.834 16.547 ( 0.085 1.198 -2.567) 2.834 16.639 ( -1.615 -0.947 0.180) 1.880 16.639 ( -1.615 0.947 0.180) 1.880 17.303 ( -0.101 -3.825 5.730) 6.890 17.303 ( -0.101 3.825 5.730) 6.890 17.498 ( -1.799 -0.638 1.792) 2.618 17.498 ( -1.799 0.638 1.792) 2.618 18.985 ( -0.447 -1.051 -0.191) 1.158 18.985 ( -0.447 1.051 -0.191) 1.158 19.062 ( 1.837 -1.318 -1.211) 2.565 19.062 ( 1.837 1.318 -1.211) 2.565 20.530 ( -0.870 -3.126 1.180) 3.452 20.530 ( -0.870 3.126 1.180) 3.452 21.032 ( 0.793 -2.880 0.148) 2.991 21.032 ( 0.793 2.880 0.148) 2.991 22.084 ( -0.167 -4.640 0.343) 4.655 22.084 ( -0.167 4.640 0.343) 4.655 22.415 ( -0.089 -0.793 1.869) 2.032 22.415 ( -0.089 0.793 1.869) 2.032 22.650 ( 0.060 -3.670 -0.025) 3.670 22.650 ( 0.060 3.670 -0.025) 3.670 22.854 ( -0.812 -0.920 -5.580) 5.713 22.854 ( -0.812 0.920 -5.580) 5.713 27.265 ( -1.259 -0.329 2.062) 2.438 27.265 ( -1.259 0.329 2.062) 2.438 27.490 ( 0.069 -1.182 -1.259) 1.728 27.490 ( 0.069 1.182 -1.259) 1.728 28.726 ( -2.152 -1.307 3.993) 4.720 28.726 ( -2.152 1.307 3.993) 4.720 29.413 ( -2.366 -4.177 -8.861) 10.078 29.413 ( -2.366 4.177 -8.861) 10.078 30.279 ( -1.943 -0.880 0.461) 2.182 30.279 ( -1.943 0.880 0.461) 2.182 30.385 ( 6.438 -3.129 -0.200) 7.161 30.385 ( 6.438 3.129 -0.200) 7.161 30.839 ( -0.834 -6.420 2.168) 6.828 30.839 ( -0.834 6.420 2.168) 6.828 31.911 ( 0.936 -11.242 3.498) 11.811 31.911 ( 0.936 11.242 3.498) 11.811 ======================= Grid point 63 (33/78) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 10.421 -18.657 4.341) 21.807 1.407 ( 10.421 18.657 4.341) 21.807 1.673 ( -0.363 -15.199 26.800) 30.812 1.673 ( -0.363 15.199 26.800) 30.812 1.990 ( 11.240 -1.154 -5.441) 12.541 1.990 ( 11.240 1.154 -5.441) 12.541 2.337 ( 2.373 -9.919 10.761) 14.826 2.337 ( 2.373 9.919 10.761) 14.826 2.450 ( 5.030 -8.486 2.658) 10.216 2.450 ( 5.030 8.486 2.658) 10.216 2.612 ( 5.973 -8.701 -2.217) 10.784 2.612 ( 5.973 8.701 -2.217) 10.784 2.799 ( -2.691 -2.589 0.368) 3.752 2.799 ( -2.691 2.589 0.368) 3.752 2.935 ( -0.133 -10.711 -1.358) 10.797 2.935 ( -0.133 10.711 -1.358) 10.797 3.147 ( 4.257 -4.581 3.453) 7.144 3.147 ( 4.257 4.581 3.453) 7.144 3.293 ( -1.479 -7.432 -1.261) 7.682 3.293 ( -1.479 7.432 -1.261) 7.682 3.374 ( 5.338 -6.409 2.002) 8.578 3.374 ( 5.338 6.409 2.002) 8.578 3.483 ( 1.047 -3.313 1.672) 3.856 3.483 ( 1.047 3.313 1.672) 3.856 3.613 ( -0.267 -2.255 0.249) 2.284 3.613 ( -0.267 2.255 0.249) 2.284 3.813 ( 5.344 -7.550 -8.141) 12.323 3.813 ( 5.344 7.550 -8.141) 12.323 4.076 ( -2.401 -2.724 -0.908) 3.743 4.076 ( -2.401 2.724 -0.908) 3.743 4.179 ( 1.028 -2.441 6.925) 7.414 4.179 ( 1.028 2.441 6.925) 7.414 4.376 ( 1.015 -9.816 -3.578) 10.497 4.376 ( 1.015 9.816 -3.578) 10.497 4.583 ( -3.540 -3.106 -0.302) 4.719 4.583 ( -3.540 3.106 -0.302) 4.719 4.762 ( -2.134 -0.474 -1.566) 2.689 4.762 ( -2.134 0.474 -1.566) 2.689 4.858 ( -1.436 -4.843 -3.145) 5.950 4.858 ( -1.436 4.843 -3.145) 5.950 5.053 ( 4.655 -1.417 0.236) 4.871 5.053 ( 4.655 1.417 0.236) 4.871 5.229 ( -1.202 -2.304 1.824) 3.175 5.229 ( -1.202 2.304 1.824) 3.175 5.417 ( 1.644 -1.395 -1.068) 2.406 5.417 ( 1.644 1.395 -1.068) 2.406 5.504 ( -3.989 -3.063 -6.732) 8.403 5.504 ( -3.989 3.063 -6.732) 8.403 5.538 ( -3.698 -2.401 -2.589) 5.113 5.538 ( -3.698 2.401 -2.589) 5.113 5.701 ( -0.689 -0.540 -2.305) 2.465 5.701 ( -0.689 0.540 -2.305) 2.465 5.795 ( -1.339 -4.402 -0.281) 4.609 5.795 ( -1.339 4.402 -0.281) 4.609 5.978 ( 3.893 -3.954 2.545) 6.105 5.978 ( 3.893 3.954 2.545) 6.105 6.128 ( -0.768 -1.429 -6.243) 6.451 6.128 ( -0.768 1.429 -6.243) 6.451 6.375 ( 3.506 -3.222 -4.528) 6.571 6.375 ( 3.506 3.222 -4.528) 6.571 6.770 ( 2.695 -3.426 2.453) 5.002 6.770 ( 2.695 3.426 2.453) 5.002 6.857 ( -1.963 -1.371 4.647) 5.228 6.857 ( -1.963 1.371 4.647) 5.228 7.062 ( -3.963 -1.415 -2.665) 4.981 7.062 ( -3.963 1.415 -2.665) 4.981 7.141 ( -1.373 -0.851 -1.913) 2.504 7.141 ( -1.373 0.851 -1.913) 2.504 7.315 ( 0.877 -1.042 -0.744) 1.552 7.315 ( 0.877 1.042 -0.744) 1.552 7.473 ( -4.236 -3.356 5.907) 8.006 7.473 ( -4.236 3.356 5.907) 8.006 7.788 ( 0.268 -5.681 -0.512) 5.711 7.788 ( 0.268 5.681 -0.512) 5.711 8.026 ( -0.859 -4.419 -2.303) 5.056 8.026 ( -0.859 4.419 -2.303) 5.056 8.165 ( -2.964 -2.757 3.926) 5.639 8.165 ( -2.964 2.757 3.926) 5.639 8.416 ( -2.403 -2.591 -0.632) 3.590 8.416 ( -2.403 2.591 -0.632) 3.590 8.746 ( -5.267 -3.065 2.120) 6.452 8.746 ( -5.267 3.065 2.120) 6.452 8.884 ( -1.495 -3.057 -2.487) 4.215 8.884 ( -1.495 3.057 -2.487) 4.215 9.787 ( 2.030 -1.103 -3.070) 3.842 9.787 ( 2.030 1.103 -3.070) 3.842 9.909 ( -5.836 -2.343 5.302) 8.226 9.909 ( -5.836 2.343 5.302) 8.226 10.001 ( 0.410 -1.441 2.566) 2.971 10.001 ( 0.410 1.441 2.566) 2.971 10.248 ( -0.693 -1.464 -0.697) 1.764 10.248 ( -0.693 1.464 -0.697) 1.764 10.629 ( 0.185 -3.144 -1.505) 3.491 10.629 ( 0.185 3.144 -1.505) 3.491 10.851 ( 2.273 -3.353 1.477) 4.312 10.851 ( 2.273 3.353 1.477) 4.312 11.250 ( 4.621 -2.082 -1.621) 5.321 11.250 ( 4.621 2.082 -1.621) 5.321 11.324 ( 2.416 -2.837 -4.478) 5.826 11.324 ( 2.416 2.837 -4.478) 5.826 11.546 ( 5.327 -2.955 1.247) 6.218 11.546 ( 5.327 2.955 1.247) 6.218 11.664 ( 1.256 -0.486 -1.867) 2.302 11.664 ( 1.256 0.486 -1.867) 2.302 11.961 ( 0.128 -0.199 -0.375) 0.443 11.961 ( 0.128 0.199 -0.375) 0.443 12.041 ( 1.149 -2.642 -2.429) 3.768 12.041 ( 1.149 2.642 -2.429) 3.768 12.254 ( 1.761 -3.988 -3.384) 5.519 12.254 ( 1.761 3.988 -3.384) 5.519 12.684 ( 1.412 -1.227 -5.624) 5.928 12.684 ( 1.412 1.227 -5.624) 5.928 12.878 ( 1.105 -5.057 2.045) 5.566 12.878 ( 1.105 5.057 2.045) 5.566 13.220 ( 0.359 -3.954 10.531) 11.254 13.220 ( 0.359 3.954 10.531) 11.254 13.550 ( 3.802 -3.053 -5.862) 7.625 13.550 ( 3.802 3.053 -5.862) 7.625 13.870 ( -5.455 -1.258 -2.176) 6.006 13.870 ( -5.455 1.258 -2.176) 6.006 14.314 ( -0.418 -6.477 -0.373) 6.501 14.314 ( -0.418 6.477 -0.373) 6.501 14.561 ( -5.555 -9.822 9.920) 15.024 14.561 ( -5.555 9.822 9.920) 15.024 16.024 ( 0.276 -2.502 0.640) 2.597 16.024 ( 0.276 2.502 0.640) 2.597 16.188 ( 2.517 -0.675 -0.796) 2.725 16.188 ( 2.517 0.675 -0.796) 2.725 16.514 ( -0.873 -1.880 -1.986) 2.870 16.514 ( -0.873 1.880 -1.986) 2.870 16.623 ( -0.365 -1.237 0.176) 1.301 16.623 ( -0.365 1.237 0.176) 1.301 17.314 ( -4.303 -3.921 6.286) 8.567 17.314 ( -4.303 3.921 6.286) 8.567 17.457 ( -3.605 -0.574 1.213) 3.847 17.457 ( -3.605 0.574 1.213) 3.847 19.020 ( 6.706 -1.638 -0.550) 6.925 19.020 ( 6.706 1.638 -0.550) 6.925 19.263 ( 17.489 -3.186 -2.761) 17.990 19.263 ( 17.489 3.186 -2.761) 17.990 20.504 ( -3.307 -2.812 1.192) 4.502 20.504 ( -3.307 2.812 1.192) 4.502 21.000 ( -4.302 -2.646 0.169) 5.053 21.000 ( -4.302 2.646 0.169) 5.053 22.076 ( -1.121 -3.104 0.155) 3.304 22.076 ( -1.121 3.104 0.155) 3.304 22.432 ( 0.107 -1.245 2.039) 2.392 22.432 ( 0.107 1.245 2.039) 2.392 22.642 ( -1.055 -3.074 -0.078) 3.251 22.642 ( -1.055 3.074 -0.078) 3.251 22.764 ( -3.034 -4.334 -4.328) 6.835 22.764 ( -3.034 4.334 -4.328) 6.835 27.264 ( -0.877 -0.354 2.007) 2.219 27.264 ( -0.877 0.354 2.007) 2.219 27.473 ( -0.611 -2.194 -0.924) 2.458 27.473 ( -0.611 2.194 -0.924) 2.458 28.718 ( -2.491 -1.719 3.655) 4.745 28.718 ( -2.491 1.719 3.655) 4.745 29.254 ( -5.522 -9.060 -5.505) 11.954 29.254 ( -5.522 9.060 -5.505) 11.954 30.260 ( -0.101 -0.879 -0.181) 0.903 30.260 ( -0.101 0.879 -0.181) 0.903 30.584 ( 13.533 -9.501 -1.841) 16.638 30.584 ( 13.533 9.501 -1.841) 16.638 30.853 ( 0.251 -7.989 2.190) 8.287 30.853 ( 0.251 7.989 2.190) 8.287 31.904 ( -4.442 -8.428 2.528) 9.856 31.904 ( -4.442 8.428 2.528) 9.856 ======================= Grid point 65 (34/78) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 13.675 -10.343 4.306) 17.678 1.682 ( 13.675 10.343 4.306) 17.678 1.921 ( 3.825 -11.882 22.634) 25.848 1.921 ( 3.825 11.882 22.634) 25.848 2.175 ( 10.618 -3.340 -2.613) 11.434 2.175 ( 10.618 3.340 -2.613) 11.434 2.404 ( -0.791 -6.946 -1.278) 7.107 2.404 ( -0.791 6.946 -1.278) 7.107 2.534 ( 4.892 -1.857 2.202) 5.677 2.534 ( 4.892 1.857 2.202) 5.677 2.752 ( 1.078 -7.508 -3.097) 8.193 2.752 ( 1.078 7.508 -3.097) 8.193 2.786 ( 4.529 -6.464 4.931) 9.306 2.786 ( 4.529 6.464 4.931) 9.306 2.968 ( 6.031 -10.266 1.414) 11.990 2.968 ( 6.031 10.266 1.414) 11.990 3.147 ( 0.263 -6.081 -1.651) 6.307 3.147 ( 0.263 6.081 -1.651) 6.307 3.259 ( -2.906 -1.514 -4.758) 5.777 3.259 ( -2.906 1.514 -4.758) 5.777 3.480 ( 1.396 -2.742 -3.191) 4.433 3.480 ( 1.396 2.742 -3.191) 4.433 3.508 ( 3.820 -3.902 4.760) 7.244 3.508 ( 3.820 3.902 4.760) 7.244 3.635 ( 1.084 -0.922 1.259) 1.900 3.635 ( 1.084 0.922 1.259) 1.900 3.881 ( 5.986 -0.523 -0.047) 6.009 3.881 ( 5.986 0.523 -0.047) 6.009 4.062 ( 3.606 -2.554 -4.281) 6.152 4.062 ( 3.606 2.554 -4.281) 6.152 4.186 ( -5.204 -2.690 3.777) 6.970 4.186 ( -5.204 2.690 3.777) 6.970 4.372 ( 0.156 -8.805 -0.924) 8.855 4.372 ( 0.156 8.805 -0.924) 8.855 4.565 ( 0.437 -5.609 2.080) 5.998 4.565 ( 0.437 5.609 2.080) 5.998 4.729 ( 0.042 -2.061 -2.187) 3.006 4.729 ( 0.042 2.061 -2.187) 3.006 4.833 ( 1.080 -4.631 0.103) 4.757 4.833 ( 1.080 4.631 0.103) 4.757 5.098 ( -1.881 -4.502 -3.174) 5.821 5.098 ( -1.881 4.502 -3.174) 5.821 5.191 ( -0.976 -1.751 1.216) 2.345 5.191 ( -0.976 1.751 1.216) 2.345 5.366 ( -2.959 -0.955 -1.372) 3.399 5.366 ( -2.959 0.955 -1.372) 3.399 5.398 ( -6.951 -1.743 -4.221) 8.317 5.398 ( -6.951 1.743 -4.221) 8.317 5.490 ( 1.551 -5.175 -0.262) 5.409 5.490 ( 1.551 5.175 -0.262) 5.409 5.680 ( 2.829 -1.350 -3.229) 4.500 5.680 ( 2.829 1.350 -3.229) 4.500 5.780 ( -0.025 -4.262 -0.104) 4.263 5.780 ( -0.025 4.262 -0.104) 4.263 6.032 ( -0.758 -3.743 0.067) 3.819 6.032 ( -0.758 3.743 0.067) 3.819 6.075 ( -1.120 -2.883 -0.892) 3.219 6.075 ( -1.120 2.883 -0.892) 3.219 6.393 ( 3.476 -3.062 -6.299) 7.818 6.393 ( 3.476 3.062 -6.299) 7.818 6.798 ( -3.040 -5.126 3.598) 6.962 6.798 ( -3.040 5.126 3.598) 6.962 6.871 ( -0.135 -0.316 2.858) 2.879 6.871 ( -0.135 0.316 2.858) 2.879 6.968 ( -1.555 -1.568 -1.872) 2.895 6.968 ( -1.555 1.568 -1.872) 2.895 7.117 ( 0.131 -4.140 -2.199) 4.690 7.117 ( 0.131 4.140 -2.199) 4.690 7.368 ( 3.716 -1.299 1.858) 4.353 7.368 ( 3.716 1.299 1.858) 4.353 7.478 ( -0.438 -6.011 5.001) 7.832 7.478 ( -0.438 6.011 5.001) 7.832 7.747 ( -2.637 -2.831 -2.817) 4.786 7.747 ( -2.637 2.831 -2.817) 4.786 8.018 ( -0.508 -4.611 -2.043) 5.069 8.018 ( -0.508 4.611 -2.043) 5.069 8.146 ( -2.778 -1.285 4.803) 5.696 8.146 ( -2.778 1.285 4.803) 5.696 8.335 ( -4.846 -2.393 -0.667) 5.446 8.335 ( -4.846 2.393 -0.667) 5.446 8.646 ( -7.693 -3.724 1.765) 8.727 8.646 ( -7.693 3.724 1.765) 8.727 8.811 ( -3.241 -3.949 -2.513) 5.693 8.811 ( -3.241 3.949 -2.513) 5.693 9.803 ( 1.863 -1.301 -3.061) 3.812 9.803 ( 1.863 1.301 -3.061) 3.812 9.885 ( -1.980 -1.512 5.906) 6.410 9.885 ( -1.980 1.512 5.906) 6.410 10.040 ( 1.621 -0.828 1.980) 2.689 10.040 ( 1.621 0.828 1.980) 2.689 10.241 ( 0.066 -2.245 -1.016) 2.465 10.241 ( 0.066 2.245 -1.016) 2.465 10.629 ( 1.615 -7.322 -1.417) 7.631 10.629 ( 1.615 7.322 -1.417) 7.631 10.889 ( 1.269 -4.724 2.109) 5.327 10.889 ( 1.269 4.724 2.109) 5.327 11.261 ( -0.950 -1.587 0.690) 1.974 11.261 ( -0.950 1.587 0.690) 1.974 11.366 ( 2.914 -3.909 -3.798) 6.181 11.366 ( 2.914 3.909 -3.798) 6.181 11.600 ( 1.941 -1.309 -2.531) 3.448 11.600 ( 1.941 1.309 -2.531) 3.448 11.745 ( 7.229 -2.949 0.284) 7.812 11.745 ( 7.229 2.949 0.284) 7.812 11.948 ( -1.659 -2.939 1.435) 3.668 11.948 ( -1.659 2.939 1.435) 3.668 12.048 ( 0.203 -0.872 -0.181) 0.914 12.048 ( 0.203 0.872 -0.181) 0.914 12.242 ( 0.828 -6.689 -3.101) 7.419 12.242 ( 0.828 6.689 -3.101) 7.419 12.687 ( 4.240 -4.150 -4.977) 7.743 12.687 ( 4.240 4.150 -4.977) 7.743 12.916 ( 1.422 -3.304 0.975) 3.727 12.916 ( 1.422 3.304 0.975) 3.727 13.283 ( 0.084 -3.508 3.142) 4.711 13.283 ( 0.084 3.508 3.142) 4.711 13.534 ( -1.721 -3.033 -1.328) 3.731 13.534 ( -1.721 3.033 -1.328) 3.731 13.753 ( -4.219 -2.860 -3.616) 6.250 13.753 ( -4.219 2.860 -3.616) 6.250 14.318 ( 1.293 -6.311 -2.999) 7.106 14.318 ( 1.293 6.311 -2.999) 7.106 14.540 ( -4.815 -4.991 9.052) 11.404 14.540 ( -4.815 4.991 9.052) 11.404 16.034 ( 0.429 -3.011 0.226) 3.050 16.034 ( 0.429 3.011 0.226) 3.050 16.230 ( 2.415 -0.785 -0.449) 2.578 16.230 ( 2.415 0.785 -0.449) 2.578 16.495 ( -0.184 -1.950 -0.089) 1.961 16.495 ( -0.184 1.950 -0.089) 1.961 16.626 ( 0.235 -1.363 0.440) 1.451 16.626 ( 0.235 1.363 0.440) 1.451 17.284 ( -4.080 -2.866 4.743) 6.881 17.284 ( -4.080 2.866 4.743) 6.881 17.401 ( -3.796 -0.507 1.079) 3.979 17.401 ( -3.796 0.507 1.079) 3.979 19.199 ( 12.803 -1.162 0.051) 12.856 19.199 ( 12.803 1.162 0.051) 12.856 19.549 ( 17.506 -4.345 -4.442) 18.576 19.549 ( 17.506 4.345 -4.442) 18.576 20.436 ( -5.537 -2.601 1.573) 6.317 20.436 ( -5.537 2.601 1.573) 6.317 20.897 ( -6.721 -4.669 -0.313) 8.190 20.897 ( -6.721 4.669 -0.313) 8.190 22.052 ( -1.390 -1.287 -0.008) 1.895 22.052 ( -1.390 1.287 -0.008) 1.895 22.451 ( -0.016 -3.585 1.506) 3.888 22.451 ( -0.016 3.585 1.506) 3.888 22.612 ( -1.814 -2.557 -0.358) 3.156 22.612 ( -1.814 2.557 -0.358) 3.156 22.695 ( -1.877 -2.953 -1.390) 3.765 22.695 ( -1.877 2.953 -1.390) 3.765 27.269 ( -0.619 -0.465 1.901) 2.052 27.269 ( -0.619 0.465 1.901) 2.052 27.456 ( -0.563 -2.142 -0.585) 2.291 27.456 ( -0.563 2.142 -0.585) 2.291 28.706 ( -2.277 -2.089 3.224) 4.465 28.706 ( -2.277 2.089 3.224) 4.465 29.146 ( -2.978 -7.883 -2.355) 8.749 29.146 ( -2.978 7.883 -2.355) 8.749 30.267 ( 0.834 -1.412 -0.036) 1.640 30.267 ( 0.834 1.412 -0.036) 1.640 30.766 ( 7.565 -9.361 -2.040) 12.208 30.766 ( 7.565 9.361 -2.040) 12.208 30.900 ( 4.169 -11.268 1.169) 12.071 30.900 ( 4.169 11.268 1.169) 12.071 31.821 ( -5.719 -5.120 0.376) 7.685 31.821 ( -5.719 5.120 0.376) 7.685 ======================= Grid point 67 (35/78) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.947 -8.675 2.291) 9.022 1.862 ( 0.947 8.675 2.291) 9.022 2.166 ( 3.037 -8.003 11.270) 14.153 2.166 ( 3.037 8.003 11.270) 14.153 2.259 ( 2.308 -3.996 -2.368) 5.186 2.259 ( 2.308 3.996 -2.368) 5.186 2.398 ( 3.650 -7.305 1.800) 8.362 2.398 ( 3.650 7.305 1.800) 8.362 2.647 ( -1.652 -6.394 -1.138) 6.702 2.647 ( -1.652 6.394 -1.138) 6.702 2.700 ( 3.345 -3.447 0.112) 4.804 2.700 ( 3.345 3.447 0.112) 4.804 2.874 ( 2.730 -3.090 2.882) 5.031 2.874 ( 2.730 3.090 2.882) 5.031 3.110 ( -2.203 -1.646 -5.125) 5.816 3.110 ( -2.203 1.646 -5.125) 5.816 3.169 ( 5.973 -3.928 1.830) 7.380 3.169 ( 5.973 3.928 1.830) 7.380 3.202 ( 6.033 -4.945 -1.588) 7.960 3.202 ( 6.033 4.945 -1.588) 7.960 3.473 ( 3.825 -0.675 -3.307) 5.101 3.473 ( 3.825 0.675 -3.307) 5.101 3.588 ( 0.374 -2.214 2.095) 3.071 3.588 ( 0.374 2.214 2.095) 3.071 3.668 ( 2.670 -3.675 -1.701) 4.851 3.668 ( 2.670 3.675 -1.701) 4.851 3.948 ( -1.412 -4.850 3.592) 6.198 3.948 ( -1.412 4.850 3.592) 6.198 4.049 ( -6.062 -3.373 1.670) 7.136 4.049 ( -6.062 3.373 1.670) 7.136 4.185 ( 5.990 -3.164 -2.321) 7.161 4.185 ( 5.990 3.164 -2.321) 7.161 4.343 ( 0.435 -5.414 -3.690) 6.566 4.343 ( 0.435 5.414 -3.690) 6.566 4.597 ( -0.831 -4.984 4.560) 6.807 4.597 ( -0.831 4.984 4.560) 6.807 4.735 ( 0.346 -1.252 1.254) 1.806 4.735 ( 0.346 1.252 1.254) 1.806 4.877 ( 2.332 -5.807 0.236) 6.263 4.877 ( 2.332 5.807 0.236) 6.263 4.991 ( -2.967 -5.683 -3.270) 7.197 4.991 ( -2.967 5.683 -3.270) 7.197 5.192 ( -2.278 -2.928 -1.947) 4.190 5.192 ( -2.278 2.928 -1.947) 4.190 5.245 ( -4.857 -1.429 -0.108) 5.064 5.245 ( -4.857 1.429 -0.108) 5.064 5.383 ( 2.697 -1.705 2.080) 3.809 5.383 ( 2.697 1.705 2.080) 3.809 5.460 ( -0.617 -5.171 -4.179) 6.677 5.460 ( -0.617 5.171 -4.179) 6.677 5.723 ( 1.982 -3.201 -2.584) 4.566 5.723 ( 1.982 3.201 -2.584) 4.566 5.811 ( 3.096 -2.223 1.429) 4.070 5.811 ( 3.096 2.223 1.429) 4.070 5.990 ( -2.112 -4.740 0.330) 5.200 5.990 ( -2.112 4.740 0.330) 5.200 6.043 ( -2.870 -3.564 -0.278) 4.584 6.043 ( -2.870 3.564 -0.278) 4.584 6.387 ( 2.195 -2.198 -5.152) 6.016 6.387 ( 2.195 2.198 -5.152) 6.016 6.753 ( -2.573 -3.751 0.631) 4.592 6.753 ( -2.573 3.751 0.631) 4.592 6.899 ( 0.783 -1.279 2.163) 2.632 6.899 ( 0.783 1.279 2.163) 2.632 6.988 ( 0.932 -0.683 2.423) 2.684 6.988 ( 0.932 0.683 2.423) 2.684 7.105 ( 1.536 -6.084 -2.023) 6.593 7.105 ( 1.536 6.084 -2.023) 6.593 7.407 ( 0.051 -2.797 -2.362) 3.662 7.407 ( 0.051 2.797 -2.362) 3.662 7.555 ( 2.313 -5.180 5.020) 7.575 7.555 ( 2.313 5.180 5.020) 7.575 7.676 ( -2.287 -4.839 -0.388) 5.367 7.676 ( -2.287 4.839 -0.388) 5.367 7.949 ( -3.294 -1.060 -2.878) 4.501 7.949 ( -3.294 1.060 -2.878) 4.501 8.137 ( -2.599 -2.767 1.891) 4.241 8.137 ( -2.599 2.767 1.891) 4.241 8.277 ( -0.965 -1.265 0.834) 1.796 8.277 ( -0.965 1.265 0.834) 1.796 8.523 ( -6.770 -2.775 0.801) 7.360 8.523 ( -6.770 2.775 0.801) 7.360 8.746 ( -1.645 -3.017 -1.991) 3.971 8.746 ( -1.645 3.017 -1.991) 3.971 9.798 ( 0.482 -0.641 -2.184) 2.326 9.798 ( 0.482 0.641 -2.184) 2.326 9.914 ( -1.182 -1.775 5.140) 5.565 9.914 ( -1.182 1.775 5.140) 5.565 10.091 ( 1.852 -1.581 1.940) 3.114 10.091 ( 1.852 1.581 1.940) 3.114 10.234 ( 0.004 -2.217 0.399) 2.253 10.234 ( 0.004 2.217 0.399) 2.253 10.668 ( 3.321 -9.319 0.116) 9.894 10.668 ( 3.321 9.319 0.116) 9.894 10.930 ( 0.194 -5.847 2.929) 6.542 10.930 ( 0.194 5.847 2.929) 6.542 11.252 ( -0.518 -0.699 0.467) 0.988 11.252 ( -0.518 0.699 0.467) 0.988 11.365 ( 0.223 -4.421 -0.840) 4.506 11.365 ( 0.223 4.421 -0.840) 4.506 11.607 ( 1.171 -2.563 -1.353) 3.126 11.607 ( 1.171 2.563 -1.353) 3.126 11.806 ( 0.766 -4.074 -4.072) 5.811 11.806 ( 0.766 4.074 -4.072) 5.811 11.944 ( -0.238 -4.014 -1.559) 4.313 11.944 ( -0.238 4.014 -1.559) 4.313 12.060 ( 1.175 -5.010 3.667) 6.319 12.060 ( 1.175 5.010 3.667) 6.319 12.245 ( 0.954 -7.431 0.241) 7.495 12.245 ( 0.954 7.431 0.241) 7.495 12.732 ( 5.567 -6.736 -5.811) 10.494 12.732 ( 5.567 6.736 -5.811) 10.494 12.934 ( 0.142 -1.586 -0.243) 1.611 12.934 ( 0.142 1.586 -0.243) 1.611 13.288 ( 0.930 -4.196 -3.820) 5.750 13.288 ( 0.930 4.196 -3.820) 5.750 13.459 ( -4.978 -3.032 -2.122) 6.203 13.459 ( -4.978 3.032 -2.122) 6.203 13.690 ( -0.755 -3.623 0.341) 3.716 13.690 ( -0.755 3.623 0.341) 3.716 14.275 ( -0.903 -6.983 -6.617) 9.663 14.275 ( -0.903 6.983 -6.617) 9.663 14.583 ( -0.840 -0.201 10.665) 10.700 14.583 ( -0.840 0.201 10.665) 10.700 16.041 ( 0.311 -3.167 -0.257) 3.193 16.041 ( 0.311 3.167 -0.257) 3.193 16.258 ( 1.087 -1.042 -0.300) 1.536 16.258 ( 1.087 1.042 -0.300) 1.536 16.501 ( 0.108 -1.839 1.209) 2.204 16.501 ( 0.108 1.839 1.209) 2.204 16.636 ( 0.172 -1.152 0.817) 1.423 16.636 ( 0.172 1.152 0.817) 1.423 17.258 ( -2.813 -2.079 3.016) 4.619 17.258 ( -2.813 2.079 3.016) 4.619 17.349 ( -2.571 -0.352 0.767) 2.706 17.349 ( -2.571 0.352 0.767) 2.706 19.427 ( 10.672 -0.670 0.703) 10.716 19.427 ( 10.672 0.670 0.703) 10.716 19.795 ( 13.821 -4.337 -3.097) 14.813 19.795 ( 13.821 4.337 -3.097) 14.813 20.344 ( -6.417 -2.728 2.569) 7.431 20.344 ( -6.417 2.728 2.569) 7.431 20.776 ( -5.636 -5.979 -1.138) 8.295 20.776 ( -5.636 5.979 -1.138) 8.295 22.034 ( -0.709 -1.818 0.325) 1.979 22.034 ( -0.709 1.818 0.325) 1.979 22.452 ( -0.654 -5.508 0.032) 5.546 22.452 ( -0.654 5.508 0.032) 5.546 22.583 ( -1.049 -1.918 -0.028) 2.186 22.583 ( -1.049 1.918 -0.028) 2.186 22.664 ( -0.970 -0.542 -0.090) 1.115 22.664 ( -0.970 0.542 -0.090) 1.115 27.275 ( -0.592 -0.506 1.924) 2.076 27.275 ( -0.592 0.506 1.924) 2.076 27.443 ( -0.303 -1.405 -0.679) 1.590 27.443 ( -0.303 1.405 -0.679) 1.590 28.697 ( -1.834 -2.142 3.029) 4.138 28.697 ( -1.834 2.142 3.029) 4.138 29.096 ( -1.062 -5.654 -1.287) 5.895 29.096 ( -1.062 5.654 -1.287) 5.895 30.283 ( 0.660 -1.927 0.566) 2.114 30.283 ( 0.660 1.927 0.566) 2.114 30.822 ( 1.132 -8.554 -0.100) 8.629 30.822 ( 1.132 8.554 -0.100) 8.629 31.003 ( 5.462 -12.941 -0.854) 14.073 31.003 ( 5.462 12.941 -0.854) 14.073 31.729 ( -3.490 -3.584 -1.800) 5.317 31.729 ( -3.490 3.584 -1.800) 5.317 ======================= Grid point 69 (36/78) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -10.470 -12.194 -2.225) 16.226 1.757 ( -10.470 12.194 -2.225) 16.226 2.183 ( -4.584 -3.640 -0.091) 5.854 2.183 ( -4.584 3.640 -0.091) 5.854 2.286 ( -1.357 -4.312 1.311) 4.707 2.286 ( -1.357 4.312 1.311) 4.707 2.448 ( -0.496 -5.330 -5.202) 7.464 2.448 ( -0.496 5.330 -5.202) 7.464 2.579 ( -0.038 -2.031 5.424) 5.792 2.579 ( -0.038 2.031 5.424) 5.792 2.817 ( -1.543 -2.795 -1.903) 3.717 2.817 ( -1.543 2.795 -1.903) 3.717 2.869 ( 2.343 -1.568 4.289) 5.133 2.869 ( 2.343 1.568 4.289) 5.133 3.131 ( 6.313 -2.254 -2.036) 7.006 3.131 ( 6.313 2.254 -2.036) 7.006 3.224 ( -0.897 -2.771 2.082) 3.580 3.224 ( -0.897 2.771 2.082) 3.580 3.253 ( -0.906 -5.869 0.451) 5.956 3.253 ( -0.906 5.869 0.451) 5.956 3.545 ( 1.255 -8.729 -1.844) 9.009 3.545 ( 1.255 8.729 -1.844) 9.009 3.579 ( -0.728 -2.985 -1.855) 3.589 3.579 ( -0.728 2.985 -1.855) 3.589 3.700 ( 6.313 -6.278 -3.546) 9.583 3.700 ( 6.313 6.278 -3.546) 9.583 3.921 ( -2.844 -5.912 4.594) 8.009 3.921 ( -2.844 5.912 4.594) 8.009 3.948 ( -8.558 -3.066 1.524) 9.218 3.948 ( -8.558 3.066 1.524) 9.218 4.247 ( 4.140 -3.650 -1.901) 5.838 4.247 ( 4.140 3.650 -1.901) 5.838 4.383 ( 5.199 -2.652 -2.352) 6.293 4.383 ( 5.199 2.652 -2.352) 6.293 4.616 ( -4.367 -0.412 6.320) 7.693 4.616 ( -4.367 0.412 6.320) 7.693 4.720 ( -0.926 -3.154 2.564) 4.169 4.720 ( -0.926 3.154 2.564) 4.169 4.901 ( 0.444 -5.836 -0.879) 5.919 4.901 ( 0.444 5.836 -0.879) 5.919 4.968 ( 0.865 -3.297 -2.988) 4.533 4.968 ( 0.865 3.297 -2.988) 4.533 5.082 ( -1.899 -1.765 -4.151) 4.894 5.082 ( -1.899 1.765 -4.151) 4.894 5.235 ( 0.646 -2.952 0.958) 3.171 5.235 ( 0.646 2.952 0.958) 3.171 5.433 ( 3.560 -4.857 -3.628) 7.030 5.433 ( 3.560 4.857 -3.628) 7.030 5.477 ( 2.728 -4.975 3.869) 6.867 5.477 ( 2.728 4.975 3.869) 6.867 5.731 ( 0.860 -3.828 -0.635) 3.975 5.731 ( 0.860 3.828 -0.635) 3.975 5.828 ( -0.764 -6.690 -3.724) 7.694 5.828 ( -0.764 6.690 -3.724) 7.694 5.956 ( -2.830 -4.530 -0.914) 5.419 5.956 ( -2.830 4.530 -0.914) 5.419 6.023 ( 1.185 -5.926 3.958) 7.224 6.023 ( 1.185 5.926 3.958) 7.224 6.402 ( 2.950 -2.240 -1.912) 4.168 6.402 ( 2.950 2.240 -1.912) 4.168 6.740 ( 0.720 -2.958 -0.385) 3.069 6.740 ( 0.720 2.958 -0.385) 3.069 6.911 ( -1.685 -0.778 0.624) 1.958 6.911 ( -1.685 0.778 0.624) 1.958 6.999 ( -0.504 -1.925 1.619) 2.565 6.999 ( -0.504 1.925 1.619) 2.565 7.140 ( 1.289 -4.929 0.216) 5.099 7.140 ( 1.289 4.929 0.216) 5.099 7.372 ( 0.868 -2.866 -3.489) 4.598 7.372 ( 0.868 2.866 -3.489) 4.598 7.528 ( -5.941 -2.317 0.138) 6.378 7.528 ( -5.941 2.317 0.138) 6.378 7.716 ( 2.495 -0.942 2.958) 3.982 7.716 ( 2.495 0.942 2.958) 3.982 7.903 ( 1.321 -0.984 -2.134) 2.696 7.903 ( 1.321 0.984 -2.134) 2.696 8.105 ( -1.738 -3.096 0.985) 3.685 8.105 ( -1.738 3.096 0.985) 3.685 8.293 ( 1.024 -0.814 0.581) 1.432 8.293 ( 1.024 0.814 0.581) 1.432 8.446 ( -1.787 -1.277 0.417) 2.235 8.446 ( -1.787 1.277 0.417) 2.235 8.720 ( 0.689 -1.359 -1.770) 2.336 8.720 ( 0.689 1.359 -1.770) 2.336 9.782 ( -0.513 -1.507 -1.336) 2.079 9.782 ( -0.513 1.507 -1.336) 2.079 9.929 ( -1.257 -0.387 3.490) 3.730 9.929 ( -1.257 0.387 3.490) 3.730 10.121 ( 0.210 -1.039 0.683) 1.261 10.121 ( 0.210 1.039 0.683) 1.261 10.267 ( 1.478 -1.249 3.767) 4.235 10.267 ( 1.478 1.249 3.767) 4.235 10.736 ( 1.809 -8.440 3.504) 9.316 10.736 ( 1.809 8.440 3.504) 9.316 10.930 ( -2.527 -5.485 1.712) 6.277 10.930 ( -2.527 5.485 1.712) 6.277 11.246 ( -1.080 -1.392 0.514) 1.835 11.246 ( -1.080 1.392 0.514) 1.835 11.382 ( 2.058 -5.915 1.256) 6.387 11.382 ( 2.058 5.915 1.256) 6.387 11.619 ( 0.528 -1.757 0.018) 1.835 11.619 ( 0.528 1.757 0.018) 1.835 11.755 ( -0.856 -4.703 -5.261) 7.108 11.755 ( -0.856 4.703 -5.261) 7.108 11.896 ( -0.740 -2.754 -4.542) 5.363 11.896 ( -0.740 2.754 -4.542) 5.363 12.129 ( 0.812 -7.530 4.719) 8.924 12.129 ( 0.812 7.530 4.719) 8.924 12.281 ( 1.871 -6.382 2.547) 7.122 12.281 ( 1.871 6.382 2.547) 7.122 12.749 ( 2.531 -8.957 -7.670) 12.061 12.749 ( 2.531 8.957 -7.670) 12.061 12.926 ( -0.049 -0.568 -1.735) 1.826 12.926 ( -0.049 0.568 -1.735) 1.826 13.225 ( -4.546 -1.442 -4.096) 6.287 13.225 ( -4.546 1.442 -4.096) 6.287 13.385 ( 2.925 -5.309 -6.576) 8.944 13.385 ( 2.925 5.309 -6.576) 8.944 13.709 ( 1.019 -2.619 1.576) 3.222 13.709 ( 1.019 2.619 1.576) 3.222 14.200 ( -0.095 -5.191 -6.827) 8.577 14.200 ( -0.095 5.191 -6.827) 8.577 14.665 ( -1.833 -1.895 11.504) 11.802 14.665 ( -1.833 1.895 11.504) 11.802 16.038 ( -0.145 -3.087 -0.707) 3.170 16.038 ( -0.145 3.087 -0.707) 3.170 16.264 ( -0.045 -1.256 -0.217) 1.276 16.264 ( -0.045 1.256 -0.217) 1.276 16.513 ( -0.298 -1.824 1.772) 2.561 16.513 ( -0.298 1.824 1.772) 2.561 16.643 ( -0.220 -1.089 0.959) 1.468 16.643 ( -0.220 1.089 0.959) 1.468 17.233 ( -2.453 -1.741 1.784) 3.497 17.233 ( -2.453 1.741 1.784) 3.497 17.333 ( 0.042 -0.650 0.882) 1.097 17.333 ( 0.042 0.650 0.882) 1.097 19.528 ( -0.810 -0.652 0.219) 1.063 19.528 ( -0.810 0.652 0.219) 1.063 19.965 ( 5.390 -5.139 0.037) 7.447 19.965 ( 5.390 5.139 0.037) 7.447 20.282 ( -2.644 -3.127 3.574) 5.435 20.282 ( -2.644 3.127 3.574) 5.435 20.705 ( 0.145 -6.290 -2.246) 6.680 20.705 ( 0.145 6.290 -2.246) 6.680 22.033 ( 0.122 -1.821 0.725) 1.963 22.033 ( 0.122 1.821 0.725) 1.963 22.432 ( -0.811 -5.339 -1.245) 5.542 22.432 ( -0.811 5.339 -1.245) 5.542 22.578 ( 0.298 -1.706 0.542) 1.815 22.578 ( 0.298 1.706 0.542) 1.815 22.657 ( 0.240 -1.330 0.031) 1.352 22.657 ( 0.240 1.330 0.031) 1.352 27.281 ( -0.768 -0.588 2.095) 2.307 27.281 ( -0.768 0.588 2.095) 2.307 27.434 ( 0.229 -0.888 -0.899) 1.284 27.434 ( 0.229 0.888 -0.899) 1.284 28.695 ( -1.434 -1.915 3.128) 3.939 28.695 ( -1.434 1.915 3.128) 3.939 29.084 ( 0.957 -4.808 -1.019) 5.007 29.084 ( 0.957 4.808 -1.019) 5.007 30.297 ( -0.001 -1.947 1.102) 2.237 30.297 ( -0.001 1.947 1.102) 2.237 30.830 ( -0.033 -8.269 0.139) 8.271 30.830 ( -0.033 8.269 0.139) 8.271 31.045 ( -0.017 -12.449 -1.217) 12.509 31.045 ( -0.017 12.449 -1.217) 12.509 31.676 ( 0.259 -3.309 -3.274) 4.662 31.676 ( 0.259 3.309 -3.274) 4.662 ======================= Grid point 71 (37/78) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -13.557 -15.509 -0.142) 20.599 1.522 ( -13.557 15.509 -0.142) 20.599 1.984 ( -16.298 -10.893 -0.130) 19.603 1.984 ( -16.298 10.893 -0.130) 19.603 2.221 ( -2.801 -5.306 -2.082) 6.351 2.221 ( -2.801 5.306 -2.082) 6.351 2.468 ( 2.064 -3.286 -0.996) 4.006 2.468 ( 2.064 3.286 -0.996) 4.006 2.589 ( -2.497 -6.429 2.941) 7.498 2.589 ( -2.497 6.429 2.941) 7.498 2.741 ( -1.621 -3.922 -1.849) 4.629 2.741 ( -1.621 3.922 -1.849) 4.629 2.965 ( -0.665 -1.862 4.801) 5.192 2.965 ( -0.665 1.862 4.801) 5.192 3.079 ( -11.562 -7.823 -0.982) 13.994 3.079 ( -11.562 7.823 -0.982) 13.994 3.170 ( -0.232 -4.102 -1.299) 4.309 3.170 ( -0.232 4.102 -1.299) 4.309 3.314 ( 4.142 -4.573 -0.279) 6.177 3.314 ( 4.142 4.573 -0.279) 6.177 3.494 ( -3.753 -5.061 -1.140) 6.403 3.494 ( -3.753 5.061 -1.140) 6.403 3.580 ( 0.187 -6.901 1.778) 7.129 3.580 ( 0.187 6.901 1.778) 7.129 3.705 ( -6.898 -1.696 0.172) 7.106 3.705 ( -6.898 1.696 0.172) 7.106 3.845 ( 0.562 -0.986 -0.921) 1.462 3.845 ( 0.562 0.986 -0.921) 1.462 3.943 ( 2.093 -4.257 -2.231) 5.242 3.943 ( 2.093 4.257 -2.231) 5.242 4.246 ( -2.919 -3.425 -1.175) 4.651 4.246 ( -2.919 3.425 -1.175) 4.651 4.436 ( 2.022 -2.486 -1.352) 3.478 4.436 ( 2.022 2.486 -1.352) 3.478 4.544 ( -6.330 -2.333 2.577) 7.222 4.544 ( -6.330 2.333 2.577) 7.222 4.762 ( 1.103 -1.317 0.880) 1.930 4.762 ( 1.103 1.317 0.880) 1.930 4.875 ( 0.356 -2.360 1.437) 2.786 4.875 ( 0.356 2.360 1.437) 2.786 5.034 ( 6.675 -0.547 -2.928) 7.309 5.034 ( 6.675 0.547 -2.928) 7.309 5.079 ( 5.368 -5.922 0.257) 7.997 5.079 ( 5.368 5.922 0.257) 7.997 5.281 ( 3.929 -4.496 0.163) 5.973 5.281 ( 3.929 4.496 0.163) 5.973 5.453 ( 0.699 -7.980 -4.028) 8.966 5.453 ( 0.699 7.980 -4.028) 8.966 5.567 ( 2.427 -5.293 4.081) 7.111 5.567 ( 2.427 5.293 4.081) 7.111 5.702 ( -0.373 -6.104 -2.898) 6.768 5.702 ( -0.373 6.104 -2.898) 6.768 5.795 ( -1.395 -3.472 1.976) 4.232 5.795 ( -1.395 3.472 1.976) 4.232 5.925 ( 1.424 -2.571 -3.425) 4.513 5.925 ( 1.424 2.571 -3.425) 4.513 6.102 ( 2.386 -5.403 4.728) 7.566 6.102 ( 2.386 5.403 4.728) 7.566 6.437 ( 2.847 -1.328 -2.471) 3.997 6.437 ( 2.847 1.328 -2.471) 3.997 6.746 ( -1.354 -1.890 0.784) 2.453 6.746 ( -1.354 1.890 0.784) 2.453 6.861 ( -3.056 -0.491 -0.551) 3.144 6.861 ( -3.056 0.491 -0.551) 3.144 7.019 ( 1.563 -1.679 0.605) 2.372 7.019 ( 1.563 1.679 0.605) 2.372 7.121 ( -1.156 -3.825 -1.767) 4.369 7.121 ( -1.156 3.825 -1.767) 4.369 7.398 ( -0.158 -3.104 1.405) 3.411 7.398 ( -0.158 3.104 1.405) 3.411 7.428 ( -2.572 -5.294 0.819) 5.942 7.428 ( -2.572 5.294 0.819) 5.942 7.764 ( 1.066 -3.679 0.010) 3.830 7.764 ( 1.066 3.679 0.010) 3.830 7.932 ( 3.363 -2.304 -2.302) 4.682 7.932 ( 3.363 2.304 -2.302) 4.682 8.095 ( -0.637 -3.203 1.144) 3.461 8.095 ( -0.637 3.203 1.144) 3.461 8.321 ( 2.271 -2.460 0.775) 3.437 8.321 ( 2.271 2.460 0.775) 3.437 8.474 ( 4.339 -3.276 -0.173) 5.440 8.474 ( 4.339 3.276 -0.173) 5.440 8.743 ( 3.450 -0.820 -1.420) 3.819 8.743 ( 3.450 0.820 -1.420) 3.819 9.757 ( -1.069 -1.688 -0.775) 2.144 9.757 ( -1.069 1.688 -0.775) 2.144 9.935 ( -0.954 -1.303 1.990) 2.563 9.935 ( -0.954 1.303 1.990) 2.563 10.130 ( -0.513 -1.245 2.127) 2.517 10.130 ( -0.513 1.245 2.127) 2.517 10.334 ( 1.645 -1.236 4.650) 5.085 10.334 ( 1.645 1.236 4.650) 5.085 10.738 ( -6.525 -4.816 3.353) 8.775 10.738 ( -6.525 4.816 3.353) 8.775 10.922 ( 0.968 -0.181 3.237) 3.384 10.922 ( 0.968 0.181 3.237) 3.384 11.217 ( -1.938 -3.205 -0.342) 3.760 11.217 ( -1.938 3.205 -0.342) 3.760 11.457 ( 3.386 -5.575 2.588) 7.017 11.457 ( 3.386 5.575 2.588) 7.017 11.598 ( -2.306 -0.795 -3.482) 4.251 11.598 ( -2.306 0.795 -3.482) 4.251 11.694 ( -1.028 -2.605 -2.500) 3.754 11.694 ( -1.028 2.605 -2.500) 3.754 11.869 ( 1.785 -1.976 -3.480) 4.382 11.869 ( 1.785 1.976 -3.480) 4.382 12.171 ( 0.168 -5.193 3.629) 6.337 12.171 ( 0.168 5.193 3.629) 6.337 12.345 ( 1.979 -5.410 2.535) 6.294 12.345 ( 1.979 5.410 2.535) 6.294 12.701 ( 0.927 -7.635 -7.822) 10.969 12.701 ( 0.927 7.635 -7.822) 10.969 12.886 ( -1.609 -0.648 -4.156) 4.504 12.886 ( -1.609 0.648 -4.156) 4.504 13.098 ( -3.916 -4.345 -5.678) 8.152 13.098 ( -3.916 4.345 -5.678) 8.152 13.419 ( 4.239 -7.445 -3.271) 9.170 13.419 ( 4.239 7.445 -3.271) 9.170 13.751 ( 5.247 -4.618 -2.594) 7.455 13.751 ( 5.247 4.618 -2.594) 7.455 14.160 ( 0.658 -3.582 -3.675) 5.174 14.160 ( 0.658 3.582 -3.675) 5.174 14.702 ( -5.439 -2.499 10.739) 12.294 14.702 ( -5.439 2.499 10.739) 12.294 16.025 ( -0.446 -2.627 -0.908) 2.815 16.025 ( -0.446 2.627 -0.908) 2.815 16.254 ( -0.949 -1.216 -0.100) 1.546 16.254 ( -0.949 1.216 -0.100) 1.546 16.522 ( -0.471 -2.003 1.746) 2.698 16.522 ( -0.471 2.003 1.746) 2.698 16.649 ( -0.228 -1.305 1.314) 1.866 16.649 ( -0.228 1.305 1.314) 1.866 17.206 ( -1.923 -0.952 1.155) 2.437 17.206 ( -1.923 0.952 1.155) 2.437 17.361 ( 1.846 -0.723 1.190) 2.313 17.361 ( 1.846 0.723 1.190) 2.313 19.416 ( -10.567 -2.084 0.222) 10.773 19.416 ( -10.567 2.084 0.222) 10.773 19.924 ( -10.445 -8.136 1.074) 13.284 19.924 ( -10.445 8.136 1.074) 13.284 20.338 ( 4.680 -2.497 2.698) 5.951 20.338 ( 4.680 2.497 2.698) 5.951 20.748 ( 6.455 -5.048 -2.366) 8.529 20.748 ( 6.455 5.048 -2.366) 8.529 22.048 ( 0.706 -1.791 0.815) 2.091 22.048 ( 0.706 1.791 0.815) 2.091 22.408 ( -0.451 -3.221 -1.243) 3.482 22.408 ( -0.451 3.221 -1.243) 3.482 22.602 ( 1.347 -2.303 0.902) 2.816 22.602 ( 1.347 2.303 0.902) 2.816 22.678 ( 2.453 -2.951 -0.028) 3.837 22.678 ( 2.453 2.951 -0.028) 3.837 27.284 ( -1.129 -0.802 2.171) 2.575 27.284 ( -1.129 0.802 2.171) 2.575 27.438 ( 1.071 -1.274 -0.786) 1.841 27.438 ( 1.071 1.274 -0.786) 1.841 28.701 ( -1.196 -1.555 3.433) 3.954 28.701 ( -1.196 1.555 3.433) 3.954 29.117 ( 3.825 -5.765 -0.570) 6.942 29.117 ( 3.825 5.765 -0.570) 6.942 30.302 ( -0.695 -1.509 1.318) 2.121 30.302 ( -0.695 1.509 1.318) 2.121 30.822 ( -0.881 -6.242 -0.865) 6.363 30.822 ( -0.881 6.242 -0.865) 6.363 30.982 ( -5.622 -10.725 -0.863) 12.140 30.982 ( -5.622 10.725 -0.863) 12.140 31.679 ( 3.363 -4.144 -3.705) 6.497 31.679 ( 3.363 4.144 -3.705) 6.497 ======================= Grid point 73 (38/78) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -12.504 -17.626 6.808) 22.657 1.311 ( -12.504 17.626 6.808) 22.657 1.683 ( -17.656 -18.902 3.012) 26.040 1.683 ( -17.656 18.902 3.012) 26.040 2.174 ( -2.635 -3.186 2.701) 4.939 2.174 ( -2.635 3.186 2.701) 4.939 2.405 ( -7.865 -3.420 4.002) 9.464 2.405 ( -7.865 3.420 4.002) 9.464 2.535 ( -10.847 -3.496 -0.876) 11.430 2.535 ( -10.847 3.496 -0.876) 11.430 2.720 ( -0.109 -1.397 -2.582) 2.938 2.720 ( -0.109 1.397 -2.582) 2.938 2.860 ( -5.122 -9.840 -0.524) 11.105 2.860 ( -5.122 9.840 -0.524) 11.105 2.974 ( -1.310 -7.087 2.040) 7.491 2.974 ( -1.310 7.087 2.040) 7.491 3.121 ( -4.336 -1.769 -4.583) 6.552 3.121 ( -4.336 1.769 -4.583) 6.552 3.328 ( -5.843 -4.909 1.570) 7.791 3.328 ( -5.843 4.909 1.570) 7.791 3.380 ( -4.638 -1.649 -1.834) 5.253 3.380 ( -4.638 1.649 -1.834) 5.253 3.562 ( -2.134 -1.511 2.189) 3.410 3.562 ( -2.134 1.511 2.189) 3.410 3.618 ( -0.282 -4.385 -2.644) 5.128 3.618 ( -0.282 4.385 -2.644) 5.128 3.883 ( -3.571 -4.950 -3.062) 6.828 3.883 ( -3.571 4.950 -3.062) 6.828 3.947 ( 7.606 -3.781 0.263) 8.498 3.947 ( 7.606 3.781 0.263) 8.498 4.176 ( -2.681 -1.839 -2.275) 3.968 4.176 ( -2.681 1.839 -2.275) 3.968 4.443 ( -3.428 -8.768 1.185) 9.488 4.443 ( -3.428 8.768 1.185) 9.488 4.497 ( 4.478 -0.949 -0.786) 4.644 4.497 ( 4.478 0.949 -0.786) 4.644 4.779 ( 0.361 -1.638 0.626) 1.791 4.779 ( 0.361 1.638 0.626) 1.791 4.937 ( 3.283 -1.363 2.421) 4.301 4.937 ( 3.283 1.363 2.421) 4.301 5.083 ( 0.974 -2.001 -2.521) 3.363 5.083 ( 0.974 2.001 -2.521) 3.363 5.186 ( 2.759 -2.938 0.477) 4.058 5.186 ( 2.759 2.938 0.477) 4.058 5.367 ( 2.366 -2.490 -1.046) 3.591 5.367 ( 2.366 2.490 -1.046) 3.591 5.452 ( 8.007 -3.126 -1.556) 8.736 5.452 ( 8.007 3.126 -1.556) 8.736 5.597 ( -1.157 -4.955 -0.869) 5.162 5.597 ( -1.157 4.955 -0.869) 5.162 5.689 ( 0.487 -7.259 -0.155) 7.277 5.689 ( 0.487 7.259 -0.155) 7.277 5.836 ( 2.318 -5.444 3.377) 6.813 5.836 ( 2.318 5.444 3.377) 6.813 5.910 ( -0.596 -1.039 -2.792) 3.038 5.910 ( -0.596 1.039 -2.792) 3.038 6.170 ( 2.512 -3.395 0.445) 4.246 6.170 ( 2.512 3.395 0.445) 4.246 6.458 ( 2.972 -1.625 -5.198) 6.204 6.458 ( 2.972 1.625 -5.198) 6.204 6.694 ( -5.495 -1.779 3.825) 6.928 6.694 ( -5.495 1.779 3.825) 6.928 6.815 ( -1.209 -2.336 -0.734) 2.731 6.815 ( -1.209 2.336 -0.734) 2.731 7.045 ( 2.636 -2.998 -3.685) 5.433 7.045 ( 2.636 2.998 -3.685) 5.433 7.141 ( 2.247 -1.814 4.475) 5.326 7.141 ( 2.247 1.814 4.475) 5.326 7.351 ( -1.669 -2.254 0.164) 2.809 7.351 ( -1.669 2.254 0.164) 2.809 7.480 ( 0.744 -5.257 5.901) 7.938 7.480 ( 0.744 5.257 5.901) 7.938 7.731 ( -2.062 -9.527 -4.683) 10.814 7.731 ( -2.062 9.527 -4.683) 10.814 7.993 ( 4.714 -4.839 0.251) 6.761 7.993 ( 4.714 4.839 0.251) 6.761 8.104 ( 0.994 -2.550 1.294) 3.028 8.104 ( 0.994 2.550 1.294) 3.028 8.386 ( 3.516 -3.725 -0.234) 5.128 8.386 ( 3.516 3.725 -0.234) 5.128 8.579 ( 7.245 -4.047 -0.066) 8.299 8.579 ( 7.245 4.047 -0.066) 8.299 8.799 ( 3.731 -1.163 -1.767) 4.289 8.799 ( 3.731 1.163 -1.767) 4.289 9.747 ( 0.892 -1.689 -0.049) 1.910 9.747 ( 0.892 1.689 -0.049) 1.910 9.922 ( -1.942 -0.587 0.539) 2.100 9.922 ( -1.942 0.587 0.539) 2.100 10.130 ( -3.146 -1.893 4.519) 5.823 10.130 ( -3.146 1.893 4.519) 5.823 10.412 ( 2.633 -1.572 4.529) 5.470 10.412 ( 2.633 1.572 4.529) 5.470 10.615 ( -8.117 -2.464 1.917) 8.696 10.615 ( -8.117 2.464 1.917) 8.696 10.978 ( -1.102 -3.525 4.757) 6.023 10.978 ( -1.102 3.525 4.757) 6.023 11.187 ( -0.512 -3.622 -1.382) 3.910 11.187 ( -0.512 3.622 -1.382) 3.910 11.428 ( -6.244 -1.693 -4.485) 7.873 11.428 ( -6.244 1.693 -4.485) 7.873 11.554 ( 1.546 -1.920 -0.220) 2.475 11.554 ( 1.546 1.920 -0.220) 2.475 11.703 ( 0.743 -3.262 2.731) 4.318 11.703 ( 0.743 3.262 2.731) 4.318 11.883 ( 2.827 -1.749 -3.125) 4.563 11.883 ( 2.827 1.749 -3.125) 4.563 12.190 ( -0.747 -1.647 0.599) 1.906 12.190 ( -0.747 1.647 0.599) 1.906 12.354 ( -0.017 -1.074 -7.314) 7.392 12.354 ( -0.017 1.074 -7.314) 7.392 12.682 ( 3.134 -1.710 -2.790) 4.531 12.682 ( 3.134 1.710 -2.790) 4.531 12.818 ( -1.508 -0.746 -2.522) 3.032 12.818 ( -1.508 0.746 -2.522) 3.032 12.996 ( -2.634 -5.514 -3.641) 7.113 12.996 ( -2.634 5.514 -3.641) 7.113 13.441 ( 2.435 -4.536 -4.618) 6.916 13.441 ( 2.435 4.536 -4.618) 6.916 13.882 ( 10.150 -3.446 0.461) 10.729 13.882 ( 10.150 3.446 0.461) 10.729 14.150 ( 0.742 -4.751 -1.178) 4.951 14.150 ( 0.742 4.751 -1.178) 4.951 14.662 ( -8.714 -2.490 8.788) 12.624 14.662 ( -8.714 2.490 8.788) 12.624 16.010 ( -0.295 -1.792 -0.687) 1.941 16.010 ( -0.295 1.792 -0.687) 1.941 16.229 ( -1.795 -0.855 -0.022) 1.988 16.229 ( -1.795 0.855 -0.022) 1.988 16.532 ( 0.377 -2.108 0.953) 2.344 16.532 ( 0.377 2.108 0.953) 2.344 16.659 ( -0.233 -1.242 1.749) 2.158 16.659 ( -0.233 1.242 1.749) 2.158 17.195 ( -0.366 -1.578 1.534) 2.231 17.195 ( -0.366 1.578 1.534) 2.231 17.414 ( 2.513 -0.378 1.666) 3.039 17.414 ( 2.513 0.378 1.666) 3.039 19.207 ( -12.064 -2.606 0.298) 12.346 19.207 ( -12.064 2.606 0.298) 12.346 19.652 ( -18.928 -9.245 -1.714) 21.134 19.652 ( -18.928 9.245 -1.714) 21.134 20.444 ( 4.131 -2.997 2.036) 5.495 20.444 ( 4.131 2.997 2.036) 5.495 20.862 ( 7.654 -2.712 -1.568) 8.270 20.862 ( 7.654 2.712 -1.568) 8.270 22.068 ( 0.694 -3.882 0.479) 3.973 22.068 ( 0.694 3.882 0.479) 3.973 22.397 ( -0.086 -0.961 -0.090) 0.970 22.397 ( -0.086 0.961 -0.090) 0.970 22.628 ( 1.012 -3.027 0.173) 3.197 22.628 ( 1.012 3.027 0.173) 3.197 22.754 ( 5.689 -5.067 0.357) 7.626 22.754 ( 5.689 5.067 0.357) 7.626 27.280 ( -1.427 -0.850 2.050) 2.639 27.280 ( -1.427 0.850 2.050) 2.639 27.459 ( 1.794 -1.263 -0.443) 2.238 27.459 ( 1.794 1.263 -0.443) 2.238 28.712 ( -1.217 -1.231 3.784) 4.162 28.712 ( -1.217 1.231 3.784) 4.162 29.219 ( 8.122 -6.333 0.047) 10.299 29.219 ( 8.122 6.333 0.047) 10.299 30.295 ( -1.192 -0.914 1.083) 1.852 30.295 ( -1.192 0.914 1.083) 1.852 30.736 ( -7.769 -6.071 -5.164) 11.130 30.736 ( -7.769 6.071 -5.164) 11.130 30.877 ( -4.636 -4.296 2.048) 6.644 30.877 ( -4.636 4.296 2.048) 6.644 31.728 ( 5.302 -6.331 -2.255) 8.560 31.728 ( 5.302 6.331 -2.255) 8.560 ======================= Grid point 75 (39/78) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -6.758 -18.291 14.669) 24.401 1.235 ( -6.758 18.291 14.669) 24.401 1.450 ( -14.331 -21.380 11.486) 28.185 1.450 ( -14.331 21.380 11.486) 28.185 2.129 ( -6.685 -1.613 -3.181) 7.577 2.129 ( -6.685 1.613 -3.181) 7.577 2.285 ( -4.237 -6.958 2.390) 8.490 2.285 ( -4.237 6.958 2.390) 8.490 2.340 ( -11.612 -17.278 7.062) 21.983 2.340 ( -11.612 17.278 7.062) 21.983 2.602 ( -4.866 -9.559 -0.871) 10.761 2.602 ( -4.866 9.559 -0.871) 10.761 2.851 ( -2.331 -3.908 0.912) 4.641 2.851 ( -2.331 3.908 0.912) 4.641 2.937 ( -6.168 -4.077 -2.788) 7.902 2.937 ( -6.168 4.077 -2.788) 7.902 3.066 ( 6.269 -5.810 3.626) 9.285 3.066 ( 6.269 5.810 3.626) 9.285 3.222 ( -5.496 -10.963 -1.044) 12.308 3.222 ( -5.496 10.963 -1.044) 12.308 3.313 ( -1.560 -4.727 -0.358) 4.990 3.313 ( -1.560 4.727 -0.358) 4.990 3.535 ( -0.867 -7.182 -1.533) 7.395 3.535 ( -0.867 7.182 -1.533) 7.395 3.627 ( 1.732 -4.142 -5.695) 7.252 3.627 ( 1.732 4.142 -5.695) 7.252 3.807 ( 0.530 -4.639 -0.866) 4.749 3.807 ( 0.530 4.639 -0.866) 4.749 4.072 ( 3.097 -3.811 -4.487) 6.653 4.072 ( 3.097 3.811 -4.487) 6.653 4.125 ( -0.582 -3.607 4.084) 5.479 4.125 ( -0.582 3.607 4.084) 5.479 4.396 ( -0.898 -6.940 -1.471) 7.151 4.396 ( -0.898 6.940 -1.471) 7.151 4.607 ( 4.805 -1.426 1.226) 5.160 4.607 ( 4.805 1.426 1.226) 5.160 4.796 ( 1.666 -1.256 -0.018) 2.087 4.796 ( 1.666 1.256 -0.018) 2.087 4.987 ( -0.778 -2.350 0.450) 2.516 4.987 ( -0.778 2.350 0.450) 2.516 5.047 ( -1.540 -0.767 -1.318) 2.168 5.047 ( -1.540 0.767 -1.318) 2.168 5.171 ( -2.664 -1.726 0.666) 3.244 5.171 ( -2.664 1.726 0.666) 3.244 5.428 ( 3.799 -1.466 -1.060) 4.207 5.428 ( 3.799 1.466 -1.060) 4.207 5.505 ( 2.656 -2.979 -5.498) 6.794 5.505 ( 2.656 2.979 -5.498) 6.794 5.632 ( 4.129 -2.842 -1.016) 5.115 5.632 ( 4.129 2.842 -1.016) 5.115 5.706 ( 1.273 -5.058 -0.676) 5.259 5.706 ( 1.273 5.058 -0.676) 5.259 5.845 ( -3.547 -1.710 0.890) 4.037 5.845 ( -3.547 1.710 0.890) 4.037 5.891 ( 0.017 -8.304 1.992) 8.539 5.891 ( 0.017 8.304 1.992) 8.539 6.214 ( 5.363 -2.150 -6.340) 8.578 6.214 ( 5.363 2.150 -6.340) 8.578 6.424 ( -0.522 -3.746 -6.768) 7.754 6.424 ( -0.522 3.746 -6.768) 7.754 6.656 ( -3.104 -1.869 5.268) 6.393 6.656 ( -3.104 1.869 5.268) 6.393 6.817 ( 0.913 -3.599 1.125) 3.880 6.817 ( 0.913 3.599 1.125) 3.880 7.072 ( 3.042 -2.369 -1.448) 4.119 7.072 ( 3.042 2.369 -1.448) 4.119 7.207 ( 0.966 -1.339 1.202) 2.042 7.207 ( 0.966 1.339 1.202) 2.042 7.351 ( -0.490 -2.652 1.676) 3.175 7.351 ( -0.490 2.652 1.676) 3.175 7.528 ( -2.060 -3.656 4.829) 6.398 7.528 ( -2.060 3.656 4.829) 6.398 7.679 ( 2.702 -11.060 -2.446) 11.645 7.679 ( 2.702 11.060 -2.446) 11.645 8.081 ( 3.350 -5.496 2.077) 6.763 8.081 ( 3.350 5.496 2.077) 6.763 8.169 ( 3.661 -3.037 2.167) 5.227 8.169 ( 3.661 3.037 2.167) 5.227 8.399 ( -0.630 -3.799 -2.551) 4.619 8.399 ( -0.630 3.799 -2.551) 4.619 8.723 ( 8.676 -2.150 0.066) 8.939 8.723 ( 8.676 2.150 0.066) 8.939 8.827 ( 1.428 -1.466 -2.364) 3.126 8.827 ( 1.428 1.466 -2.364) 3.126 9.800 ( 4.700 -2.917 0.936) 5.610 9.800 ( 4.700 2.917 0.936) 5.610 9.874 ( -2.924 -2.099 -1.229) 3.804 9.874 ( -2.924 2.099 -1.229) 3.804 10.092 ( -6.550 -2.762 6.425) 9.582 10.092 ( -6.550 2.762 6.425) 9.582 10.478 ( -5.325 -3.877 4.224) 7.825 10.478 ( -5.325 3.877 4.224) 7.825 10.540 ( 2.322 -2.725 2.841) 4.570 10.540 ( 2.322 2.725 2.841) 4.570 10.878 ( -12.115 -1.782 -0.090) 12.246 10.878 ( -12.115 1.782 -0.090) 12.246 11.177 ( 2.061 -3.120 -2.670) 4.595 11.177 ( 2.061 3.120 -2.670) 4.595 11.355 ( 1.948 -0.673 -1.140) 2.355 11.355 ( 1.948 0.673 -1.140) 2.355 11.552 ( -2.949 -0.565 -0.995) 3.163 11.552 ( -2.949 0.565 -0.995) 3.163 11.701 ( -1.963 -3.619 -1.755) 4.475 11.701 ( -1.963 3.619 -1.755) 4.475 11.913 ( 2.818 -1.715 -1.375) 3.574 11.913 ( 2.818 1.715 -1.375) 3.574 12.147 ( -1.196 -3.494 -6.614) 7.575 12.147 ( -1.196 3.494 -6.614) 7.575 12.249 ( 1.100 -3.345 -10.761) 11.323 12.249 ( 1.100 3.345 -10.761) 11.323 12.724 ( 2.012 -4.727 -1.888) 5.473 12.724 ( 2.012 4.727 -1.888) 5.473 12.823 ( 2.277 -1.239 0.404) 2.624 12.823 ( 2.277 1.239 0.404) 2.624 12.967 ( -0.879 -5.901 6.907) 9.127 12.967 ( -0.879 5.901 6.907) 9.127 13.453 ( 4.231 -1.430 -4.758) 6.526 13.453 ( 4.231 1.430 -4.758) 6.526 14.016 ( 0.407 -2.577 1.538) 3.028 14.016 ( 0.407 2.577 1.538) 3.028 14.223 ( 8.352 -5.287 2.550) 10.208 14.223 ( 8.352 5.287 2.550) 10.208 14.568 ( -9.133 -2.873 7.693) 12.282 14.568 ( -9.133 2.873 7.693) 12.282 16.005 ( 0.101 -0.786 -0.048) 0.794 16.005 ( 0.101 0.786 -0.048) 0.794 16.193 ( -1.853 -0.600 -0.320) 1.974 16.193 ( -1.853 0.600 -0.320) 1.974 16.549 ( 1.119 -1.602 -0.757) 2.095 16.549 ( 1.119 1.602 -0.757) 2.095 16.662 ( -1.098 -0.735 1.036) 1.679 16.662 ( -1.098 0.735 1.036) 1.679 17.233 ( 2.061 -2.966 3.618) 5.112 17.233 ( 2.061 2.966 3.618) 5.112 17.474 ( 1.906 -0.546 2.282) 3.023 17.474 ( 1.906 0.546 2.282) 3.023 19.030 ( -6.885 -1.306 -0.155) 7.009 19.030 ( -6.885 1.306 -0.155) 7.009 19.274 ( -18.736 -5.097 -2.914) 19.635 19.274 ( -18.736 5.097 -2.914) 19.635 20.512 ( 1.688 -3.283 1.512) 3.989 20.512 ( 1.688 3.283 1.512) 3.989 20.974 ( 5.560 -2.291 -0.558) 6.039 20.974 ( 5.560 2.291 -0.558) 6.039 22.080 ( 0.323 -5.038 0.239) 5.054 22.080 ( 0.323 5.038 0.239) 5.054 22.402 ( -0.031 -0.872 1.178) 1.466 22.402 ( -0.031 0.872 1.178) 1.466 22.643 ( 0.709 -3.592 -0.126) 3.664 22.643 ( 0.709 3.592 -0.126) 3.664 22.853 ( 4.921 -3.868 -2.173) 6.626 22.853 ( 4.921 3.868 -2.173) 6.626 27.272 ( -1.465 -0.622 2.013) 2.567 27.272 ( -1.465 0.622 2.013) 2.567 27.485 ( 1.483 -0.729 -0.745) 1.812 27.485 ( 1.483 0.729 -0.745) 1.812 28.723 ( -1.570 -1.117 4.007) 4.446 28.723 ( -1.570 1.117 4.007) 4.446 29.387 ( 10.137 -2.969 -2.766) 10.919 29.387 ( 10.137 2.969 -2.766) 10.919 30.283 ( -0.710 -0.448 0.619) 1.043 30.283 ( -0.710 0.448 0.619) 1.043 30.489 ( -12.058 -3.575 -4.683) 13.420 30.489 ( -12.058 3.575 -4.683) 13.420 30.845 ( -1.955 -5.757 2.163) 6.453 30.845 ( -1.955 5.757 2.163) 6.453 31.824 ( 5.414 -9.594 1.393) 11.104 31.824 ( 5.414 9.594 1.393) 11.104 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.261 0.000 20.029) 20.069 1.023 ( -1.095 0.000 24.865) 24.889 1.500 ( 2.697 0.000 -16.431) 16.651 1.779 ( -0.454 0.000 -10.981) 10.991 1.860 ( -1.158 0.000 -2.861) 3.087 2.105 ( -9.248 0.000 -12.105) 15.233 2.174 ( -9.149 0.000 33.634) 34.857 2.312 ( 4.158 0.000 16.976) 17.478 2.412 ( -8.331 0.000 7.326) 11.094 2.453 ( 1.675 0.000 4.994) 5.267 2.651 ( 1.064 0.000 1.922) 2.197 2.666 ( -2.659 0.000 16.499) 16.712 2.690 ( 5.289 0.000 -2.226) 5.738 2.825 ( 0.640 0.000 7.711) 7.738 2.991 ( -0.099 0.000 2.491) 2.493 3.093 ( -4.228 0.000 -0.845) 4.312 3.131 ( 2.213 0.000 -4.415) 4.938 3.142 ( 3.748 0.000 3.806) 5.342 3.192 ( 0.350 0.000 2.760) 2.783 3.310 ( 8.067 0.000 -1.192) 8.155 3.403 ( 3.009 0.000 5.601) 6.358 3.420 ( 4.734 0.000 -5.565) 7.306 3.465 ( -1.188 0.000 -6.007) 6.123 3.529 ( 1.389 0.000 -5.047) 5.235 3.564 ( 1.078 0.000 2.632) 2.844 3.764 ( 6.398 0.000 -3.756) 7.419 3.857 ( 1.310 0.000 -2.216) 2.574 3.929 ( -4.778 0.000 -2.450) 5.369 4.024 ( 4.666 0.000 -1.779) 4.994 4.054 ( -10.316 0.000 4.556) 11.277 4.095 ( 2.551 0.000 0.287) 2.567 4.186 ( -4.449 0.000 -5.451) 7.036 4.325 ( 1.875 0.000 4.279) 4.672 4.585 ( 5.376 0.000 4.821) 7.221 4.601 ( -2.164 0.000 -6.507) 6.857 4.742 ( 0.020 0.000 -0.693) 0.693 4.803 ( -1.793 0.000 0.946) 2.027 4.824 ( 1.393 0.000 -4.333) 4.551 4.869 ( -8.242 0.000 -2.073) 8.499 4.959 ( 4.800 0.000 -4.723) 6.734 5.020 ( -0.935 0.000 0.229) 0.963 5.135 ( 8.010 0.000 -4.792) 9.334 5.210 ( -1.659 0.000 0.890) 1.882 5.212 ( 7.737 0.000 -0.262) 7.742 5.244 ( -10.273 0.000 0.469) 10.284 5.332 ( 5.300 0.000 0.270) 5.307 5.361 ( -5.977 0.000 0.087) 5.978 5.462 ( -0.506 0.000 2.441) 2.493 5.549 ( 0.059 0.000 -2.525) 2.526 5.573 ( -2.219 0.000 -3.311) 3.986 5.615 ( 2.606 0.000 -0.013) 2.606 5.665 ( 1.047 0.000 1.371) 1.725 5.712 ( -1.304 0.000 -1.630) 2.088 5.758 ( -4.306 0.000 -1.063) 4.436 5.928 ( 4.029 0.000 2.662) 4.829 6.016 ( 5.273 0.000 -2.626) 5.891 6.089 ( -1.601 0.000 -1.669) 2.313 6.093 ( -4.761 0.000 -5.763) 7.476 6.260 ( 1.023 0.000 -2.608) 2.801 6.262 ( 5.003 0.000 -4.485) 6.719 6.735 ( -1.560 0.000 5.307) 5.532 6.757 ( 1.828 0.000 1.238) 2.208 6.857 ( 2.100 0.000 4.022) 4.537 6.862 ( 1.382 0.000 -4.146) 4.370 7.056 ( -2.616 0.000 2.199) 3.418 7.122 ( 1.450 0.000 -1.762) 2.282 7.139 ( 4.331 0.000 -3.789) 5.754 7.235 ( -1.577 0.000 0.024) 1.577 7.290 ( -1.815 0.000 -3.789) 4.201 7.299 ( -1.696 0.000 0.824) 1.885 7.453 ( -0.066 0.000 2.164) 2.165 7.671 ( -8.201 0.000 -4.582) 9.394 7.706 ( 2.133 0.000 6.396) 6.742 7.923 ( -2.780 0.000 -4.970) 5.694 7.977 ( -9.665 0.000 -2.243) 9.922 7.983 ( 5.195 0.000 -1.240) 5.341 8.181 ( 1.927 0.000 4.610) 4.996 8.300 ( 3.304 0.000 1.674) 3.704 8.488 ( -1.132 0.000 3.720) 3.888 8.491 ( 2.030 0.000 -2.074) 2.902 8.671 ( -1.158 0.000 2.051) 2.355 8.692 ( 0.323 0.000 -1.764) 1.794 8.781 ( -1.415 0.000 1.611) 2.144 8.839 ( 5.185 0.000 -0.618) 5.222 9.724 ( 3.286 0.000 0.631) 3.346 9.815 ( 2.113 0.000 -3.566) 4.145 9.878 ( 5.061 0.000 0.092) 5.062 9.931 ( -2.776 0.000 -1.702) 3.256 10.160 ( -16.832 0.000 2.953) 17.089 10.165 ( -6.306 0.000 -2.490) 6.779 10.313 ( -2.487 0.000 6.458) 6.920 10.388 ( -11.182 0.000 10.371) 15.251 10.564 ( -3.030 0.000 -4.169) 5.154 10.610 ( -1.240 0.000 -1.909) 2.277 10.760 ( 0.607 0.000 0.699) 0.926 10.944 ( 21.141 0.000 -8.264) 22.699 11.175 ( 0.455 0.000 -3.121) 3.154 11.212 ( 0.179 0.000 0.110) 0.210 11.382 ( -0.344 0.000 -3.153) 3.171 11.434 ( 3.283 0.000 -0.206) 3.289 11.487 ( -3.865 0.000 1.239) 4.059 11.514 ( 4.807 0.000 2.735) 5.531 11.615 ( 1.125 0.000 0.390) 1.190 11.649 ( -2.563 0.000 2.074) 3.297 11.762 ( 3.332 0.000 -5.308) 6.267 11.776 ( -1.912 0.000 -2.975) 3.536 12.012 ( 2.137 0.000 7.299) 7.605 12.035 ( -0.234 0.000 -0.798) 0.832 12.220 ( 4.384 0.000 -6.104) 7.515 12.325 ( 4.822 0.000 -1.574) 5.072 12.457 ( -7.673 0.000 1.608) 7.840 12.547 ( 1.888 0.000 -1.091) 2.181 12.814 ( 1.789 0.000 4.827) 5.148 13.005 ( 2.147 0.000 1.097) 2.411 13.319 ( 9.191 0.000 -4.851) 10.392 13.380 ( 3.724 0.000 6.215) 7.246 13.395 ( -3.206 0.000 4.324) 5.383 13.451 ( -1.814 0.000 -2.761) 3.303 13.859 ( 0.172 0.000 -4.323) 4.327 14.000 ( -3.467 0.000 -10.561) 11.115 14.227 ( -10.896 0.000 18.445) 21.423 14.419 ( 3.969 0.000 3.303) 5.163 14.497 ( -2.577 0.000 1.419) 2.942 14.998 ( 9.848 0.000 -16.626) 19.323 16.005 ( -5.045 0.000 1.828) 5.366 16.074 ( 3.952 0.000 -1.362) 4.180 16.080 ( -0.483 0.000 2.931) 2.970 16.163 ( -1.661 0.000 -0.900) 1.889 16.443 ( -0.735 0.000 2.048) 2.176 16.535 ( 0.153 0.000 -2.273) 2.278 16.598 ( -1.291 0.000 0.289) 1.323 16.643 ( 0.043 0.000 -1.705) 1.706 17.333 ( 0.398 0.000 5.890) 5.903 17.462 ( -1.947 0.000 -0.504) 2.011 17.561 ( -2.966 0.000 2.628) 3.963 17.603 ( 2.363 0.000 0.679) 2.458 18.952 ( 5.005 0.000 -0.735) 5.059 18.953 ( -3.561 0.000 -0.834) 3.657 19.039 ( -4.594 0.000 0.877) 4.677 19.050 ( 6.645 0.000 0.461) 6.661 20.484 ( -0.534 0.000 1.530) 1.621 20.589 ( -0.018 0.000 -3.871) 3.871 21.025 ( 2.226 0.000 3.158) 3.864 21.117 ( -4.247 0.000 -1.666) 4.562 22.017 ( 0.737 0.000 3.292) 3.374 22.155 ( -1.464 0.000 -3.219) 3.537 22.450 ( 4.246 0.000 3.803) 5.700 22.539 ( -0.407 0.000 0.734) 0.839 22.549 ( -0.885 0.000 -0.598) 1.068 22.606 ( -7.770 0.000 -1.475) 7.909 22.759 ( 1.321 0.000 -2.083) 2.467 22.766 ( 1.103 0.000 -0.957) 1.460 27.296 ( -1.205 0.000 1.846) 2.205 27.345 ( 0.868 0.000 -0.576) 1.041 27.407 ( -4.462 0.000 2.510) 5.119 27.493 ( 1.583 0.000 -1.511) 2.188 28.756 ( -2.953 0.000 3.050) 4.245 28.851 ( 2.273 0.000 -1.722) 2.852 29.097 ( -14.735 0.000 5.404) 15.694 29.363 ( 6.437 0.000 -7.391) 9.801 30.247 ( -1.511 0.000 0.001) 1.511 30.266 ( 2.153 0.000 -0.795) 2.296 30.351 ( -7.731 0.000 2.324) 8.073 30.454 ( 16.011 0.000 -2.604) 16.222 30.814 ( -4.492 0.000 5.073) 6.776 31.009 ( 4.809 0.000 -4.749) 6.758 31.852 ( 0.553 0.000 7.208) 7.229 32.140 ( -0.918 0.000 -6.931) 6.991 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 26.675 0.000 11.054) 28.875 1.326 ( 10.728 0.000 20.122) 22.803 1.618 ( 22.809 0.000 -13.193) 26.350 1.737 ( 9.334 0.000 -15.195) 17.833 1.932 ( 7.644 0.000 5.493) 9.413 1.934 ( 1.384 0.000 -6.185) 6.338 2.349 ( 2.405 0.000 5.170) 5.702 2.352 ( -10.580 0.000 29.267) 31.121 2.495 ( 1.217 0.000 12.082) 12.144 2.585 ( 5.762 0.000 3.929) 6.974 2.646 ( 3.407 0.000 -6.820) 7.624 2.697 ( -2.789 0.000 0.006) 2.789 2.772 ( 2.128 0.000 6.683) 7.013 2.928 ( -7.698 0.000 4.135) 8.739 2.931 ( 3.314 0.000 5.773) 6.656 3.113 ( 1.287 0.000 -2.400) 2.723 3.132 ( 3.451 0.000 1.495) 3.761 3.189 ( 0.559 0.000 -3.747) 3.789 3.239 ( 3.459 0.000 1.364) 3.719 3.354 ( -4.350 0.000 -3.207) 5.405 3.367 ( -3.411 0.000 -4.245) 5.445 3.449 ( 3.515 0.000 -5.286) 6.348 3.474 ( 0.017 0.000 1.260) 1.260 3.499 ( 6.120 0.000 -6.627) 9.021 3.620 ( -1.651 0.000 4.197) 4.510 3.820 ( 1.223 0.000 -6.983) 7.089 3.844 ( 4.148 0.000 -4.590) 6.187 3.847 ( 2.060 0.000 0.123) 2.063 3.880 ( -9.687 0.000 -0.455) 9.697 4.085 ( 3.176 0.000 -0.946) 3.314 4.180 ( 2.427 0.000 4.309) 4.945 4.196 ( 5.774 0.000 2.058) 6.130 4.413 ( 0.198 0.000 7.355) 7.358 4.426 ( -6.181 0.000 -6.747) 9.150 4.706 ( -2.497 0.000 0.913) 2.659 4.717 ( 0.356 0.000 -5.374) 5.385 4.751 ( -0.258 0.000 1.019) 1.051 4.789 ( 5.022 0.000 0.207) 5.027 4.828 ( -5.278 0.000 1.722) 5.552 4.953 ( -2.827 0.000 -8.348) 8.814 5.013 ( -0.608 0.000 -2.634) 2.704 5.092 ( 1.364 0.000 2.575) 2.914 5.118 ( -3.516 0.000 -2.125) 4.108 5.216 ( 0.883 0.000 -0.347) 0.949 5.245 ( -4.062 0.000 0.529) 4.096 5.386 ( -0.257 0.000 0.561) 0.617 5.402 ( 4.940 0.000 2.158) 5.391 5.440 ( -2.695 0.000 3.743) 4.613 5.486 ( -2.805 0.000 -4.574) 5.366 5.522 ( -1.206 0.000 -2.186) 2.497 5.636 ( -2.292 0.000 1.212) 2.593 5.681 ( 0.166 0.000 2.716) 2.721 5.682 ( -1.731 0.000 -0.790) 1.903 5.737 ( 5.143 0.000 -2.165) 5.580 5.962 ( -1.715 0.000 -5.785) 6.034 6.010 ( 1.083 0.000 -3.740) 3.894 6.067 ( 0.451 0.000 -0.983) 1.082 6.101 ( 3.944 0.000 3.695) 5.404 6.260 ( 1.974 0.000 -3.266) 3.816 6.295 ( 3.030 0.000 -4.863) 5.730 6.734 ( -1.513 0.000 2.189) 2.661 6.787 ( 1.395 0.000 0.422) 1.457 6.896 ( 2.781 0.000 -0.126) 2.784 6.910 ( 3.179 0.000 -1.388) 3.469 7.027 ( -2.648 0.000 1.730) 3.163 7.084 ( -7.178 0.000 -6.448) 9.649 7.136 ( -0.117 0.000 0.495) 0.509 7.184 ( 0.703 0.000 1.946) 2.069 7.305 ( 2.887 0.000 -2.200) 3.630 7.314 ( 1.334 0.000 4.968) 5.144 7.479 ( -6.542 0.000 -0.462) 6.558 7.479 ( -0.227 0.000 4.390) 4.396 7.766 ( -6.908 0.000 -4.730) 8.372 7.846 ( 3.821 0.000 9.615) 10.346 7.916 ( 1.271 0.000 -1.093) 1.677 8.091 ( 6.597 0.000 -0.851) 6.652 8.196 ( -3.744 0.000 2.315) 4.402 8.284 ( -4.493 0.000 -2.841) 5.316 8.434 ( -5.590 0.000 -1.754) 5.859 8.491 ( -2.190 0.000 1.534) 2.673 8.607 ( -7.113 0.000 1.749) 7.325 8.627 ( -3.889 0.000 -0.379) 3.907 8.770 ( -0.361 0.000 -0.101) 0.375 8.874 ( -1.661 0.000 -1.757) 2.418 9.807 ( 4.828 0.000 -0.786) 4.892 9.828 ( 4.278 0.000 -6.016) 7.382 9.830 ( -4.022 0.000 -2.100) 4.537 9.956 ( 3.116 0.000 0.835) 3.226 10.027 ( -5.463 0.000 6.237) 8.291 10.066 ( -5.776 0.000 5.723) 8.131 10.295 ( -7.929 0.000 10.758) 13.364 10.348 ( -2.088 0.000 8.449) 8.704 10.488 ( -2.833 0.000 -3.364) 4.398 10.649 ( 6.692 0.000 -0.537) 6.714 10.804 ( 3.101 0.000 -0.933) 3.238 11.171 ( 10.938 0.000 -7.697) 13.375 11.204 ( 3.428 0.000 -1.260) 3.652 11.235 ( 5.312 0.000 -1.021) 5.409 11.399 ( 1.455 0.000 -1.339) 1.978 11.434 ( -3.053 0.000 0.852) 3.170 11.496 ( 7.139 0.000 -6.320) 9.534 11.580 ( 1.941 0.000 -2.145) 2.893 11.589 ( -4.060 0.000 -0.725) 4.125 11.671 ( 3.834 0.000 4.395) 5.832 11.746 ( 1.688 0.000 -2.275) 2.833 11.826 ( 6.615 0.000 -2.841) 7.199 12.034 ( 0.797 0.000 1.213) 1.451 12.081 ( 0.853 0.000 0.828) 1.188 12.214 ( -3.018 0.000 -1.886) 3.559 12.348 ( 2.111 0.000 -6.490) 6.824 12.348 ( -3.122 0.000 1.290) 3.379 12.601 ( 3.712 0.000 1.024) 3.851 12.876 ( 0.937 0.000 3.026) 3.168 13.018 ( 0.575 0.000 -3.490) 3.537 13.315 ( 0.609 0.000 -7.693) 7.717 13.363 ( -0.346 0.000 -8.666) 8.673 13.498 ( 2.495 0.000 10.625) 10.914 13.513 ( 2.364 0.000 8.344) 8.672 13.795 ( -5.943 0.000 -0.911) 6.012 13.837 ( -2.168 0.000 -12.898) 13.079 14.160 ( -10.116 0.000 11.025) 14.963 14.497 ( -1.535 0.000 6.276) 6.461 14.506 ( 2.622 0.000 5.083) 5.719 14.883 ( -4.254 0.000 -14.857) 15.454 15.961 ( -1.552 0.000 1.354) 2.060 16.118 ( 0.822 0.000 -2.206) 2.354 16.131 ( 2.278 0.000 2.579) 3.441 16.161 ( 3.211 0.000 0.639) 3.274 16.454 ( -0.358 0.000 2.325) 2.352 16.517 ( 0.154 0.000 -1.924) 1.930 16.593 ( 0.306 0.000 1.243) 1.280 16.647 ( 1.379 0.000 -0.887) 1.640 17.358 ( -3.771 0.000 6.103) 7.174 17.395 ( -3.781 0.000 -1.576) 4.096 17.502 ( -5.363 0.000 1.139) 5.483 17.586 ( -3.968 0.000 2.780) 4.845 19.001 ( 8.635 0.000 1.002) 8.693 19.029 ( 4.535 0.000 -0.490) 4.562 19.199 ( 20.775 0.000 -6.511) 21.772 19.229 ( 12.690 0.000 -0.312) 12.694 20.471 ( -2.839 0.000 2.162) 3.568 20.538 ( -2.316 0.000 -2.949) 3.750 20.970 ( -10.283 0.000 0.937) 10.325 21.051 ( -2.488 0.000 2.660) 3.642 22.060 ( 0.574 0.000 3.869) 3.911 22.092 ( -2.180 0.000 -3.211) 3.881 22.437 ( -6.703 0.000 -1.099) 6.792 22.533 ( 0.324 0.000 0.940) 0.994 22.565 ( 0.253 0.000 -0.289) 0.384 22.569 ( 2.926 0.000 5.018) 5.808 22.735 ( -1.788 0.000 -1.734) 2.491 22.758 ( -0.908 0.000 -1.518) 1.769 27.292 ( -1.023 0.000 1.790) 2.062 27.358 ( 1.198 0.000 -0.732) 1.404 27.366 ( -3.362 0.000 3.914) 5.159 27.500 ( 0.491 0.000 -1.245) 1.338 28.725 ( -3.218 0.000 2.933) 4.354 28.879 ( 2.300 0.000 -1.575) 2.787 28.950 ( -9.218 0.000 8.735) 12.699 29.372 ( 0.055 0.000 -4.398) 4.398 30.233 ( 0.082 0.000 -0.235) 0.249 30.313 ( 3.576 0.000 -0.565) 3.620 30.315 ( 3.037 0.000 0.457) 3.071 30.737 ( 18.337 0.000 -6.475) 19.447 30.776 ( -3.777 0.000 3.693) 5.282 31.055 ( 4.838 0.000 -4.480) 6.594 31.876 ( -5.204 0.000 6.755) 8.527 31.973 ( -9.389 0.000 -5.184) 10.725 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 13.309 0.000 12.472) 18.240 1.701 ( 12.740 0.000 0.311) 12.744 1.815 ( 10.053 0.000 -11.175) 15.032 1.935 ( 21.613 0.000 -9.959) 23.797 2.118 ( 18.478 0.000 6.033) 19.438 2.191 ( 10.174 0.000 10.300) 14.478 2.332 ( -7.434 0.000 13.763) 15.642 2.543 ( -3.030 0.000 -1.453) 3.361 2.562 ( 10.775 0.000 4.486) 11.671 2.637 ( 3.792 0.000 5.478) 6.663 2.637 ( 0.364 0.000 -2.924) 2.947 2.702 ( 0.279 0.000 -2.563) 2.579 2.857 ( 3.090 0.000 1.137) 3.293 2.895 ( 2.204 0.000 0.463) 2.252 2.995 ( -2.521 0.000 5.319) 5.886 3.072 ( -4.862 0.000 -1.063) 4.977 3.140 ( 2.253 0.000 -3.241) 3.947 3.182 ( -1.632 0.000 -3.413) 3.783 3.216 ( -2.580 0.000 -4.622) 5.294 3.255 ( -2.232 0.000 -5.909) 6.317 3.316 ( 1.187 0.000 1.034) 1.574 3.465 ( 5.347 0.000 -4.679) 7.106 3.490 ( 0.532 0.000 6.668) 6.689 3.600 ( -0.232 0.000 -0.387) 0.451 3.605 ( 8.110 0.000 -3.047) 8.664 3.688 ( -10.517 0.000 1.403) 10.610 3.808 ( 7.149 0.000 -12.449) 14.356 3.867 ( 3.961 0.000 -4.601) 6.071 4.001 ( 9.287 0.000 4.140) 10.167 4.124 ( 2.516 0.000 -1.159) 2.770 4.234 ( -7.535 0.000 4.218) 8.635 4.252 ( -1.714 0.000 5.795) 6.043 4.346 ( 2.023 0.000 -3.083) 3.688 4.428 ( -2.953 0.000 5.571) 6.305 4.630 ( -7.227 0.000 -0.552) 7.248 4.664 ( -1.206 0.000 -0.714) 1.402 4.723 ( 0.915 0.000 -6.667) 6.730 4.782 ( 3.883 0.000 0.942) 3.996 4.804 ( -3.800 0.000 -6.598) 7.614 4.931 ( 3.597 0.000 0.214) 3.603 4.978 ( -1.121 0.000 -1.410) 1.801 5.045 ( -3.566 0.000 3.491) 4.990 5.149 ( -3.713 0.000 1.225) 3.910 5.183 ( -2.212 0.000 0.509) 2.270 5.262 ( 2.352 0.000 -1.531) 2.806 5.331 ( -6.235 0.000 -0.621) 6.266 5.358 ( -5.156 0.000 2.180) 5.597 5.375 ( -0.165 0.000 -2.870) 2.874 5.464 ( -2.833 0.000 2.150) 3.557 5.541 ( 0.384 0.000 -1.662) 1.706 5.601 ( 2.950 0.000 2.086) 3.613 5.706 ( -0.937 0.000 -6.220) 6.290 5.715 ( 1.737 0.000 6.043) 6.288 5.794 ( 3.429 0.000 2.700) 4.365 5.946 ( 2.502 0.000 -1.950) 3.172 6.026 ( -3.240 0.000 -0.103) 3.242 6.032 ( 4.739 0.000 1.442) 4.954 6.173 ( 0.905 0.000 1.446) 1.705 6.267 ( 2.382 0.000 -4.049) 4.698 6.270 ( 0.128 0.000 -6.557) 6.559 6.723 ( -1.551 0.000 0.331) 1.586 6.831 ( 3.676 0.000 -1.150) 3.851 6.920 ( -3.597 0.000 -0.739) 3.672 6.957 ( 2.229 0.000 0.490) 2.282 6.966 ( 3.507 0.000 -0.634) 3.564 6.997 ( -1.194 0.000 0.349) 1.244 7.106 ( -3.794 0.000 1.123) 3.957 7.207 ( -0.111 0.000 3.207) 3.209 7.326 ( 1.994 0.000 -3.989) 4.460 7.388 ( 0.256 0.000 2.852) 2.863 7.465 ( 4.771 0.000 -1.611) 5.036 7.504 ( -1.614 0.000 3.564) 3.912 7.682 ( 0.162 0.000 2.552) 2.557 7.949 ( -1.519 0.000 5.387) 5.597 7.949 ( 1.986 0.000 1.021) 2.233 8.076 ( -9.423 0.000 -2.835) 9.840 8.128 ( -6.245 0.000 -2.701) 6.804 8.164 ( 0.251 0.000 -1.632) 1.651 8.321 ( -4.513 0.000 -0.211) 4.518 8.416 ( -6.795 0.000 0.561) 6.818 8.515 ( -2.919 0.000 -0.253) 2.930 8.561 ( -3.779 0.000 0.494) 3.812 8.757 ( -1.570 0.000 0.665) 1.705 8.767 ( -7.387 0.000 -2.273) 7.728 9.775 ( -0.021 0.000 -3.134) 3.134 9.860 ( 1.904 0.000 -0.932) 2.120 9.868 ( 5.545 0.000 -5.324) 7.688 10.017 ( -0.066 0.000 5.846) 5.846 10.020 ( -0.564 0.000 4.838) 4.871 10.041 ( -1.127 0.000 3.806) 3.969 10.306 ( -3.552 0.000 8.738) 9.433 10.365 ( -3.542 0.000 6.415) 7.328 10.435 ( 0.432 0.000 1.727) 1.780 10.817 ( 9.515 0.000 3.204) 10.040 10.828 ( 0.397 0.000 0.149) 0.424 11.241 ( 4.067 0.000 -5.835) 7.112 11.246 ( 1.075 0.000 2.361) 2.594 11.342 ( -3.806 0.000 -4.662) 6.019 11.369 ( -3.882 0.000 -0.764) 3.957 11.387 ( 7.571 0.000 6.058) 9.696 11.495 ( -3.987 0.000 0.236) 3.994 11.595 ( 8.925 0.000 -7.923) 11.934 11.603 ( 2.183 0.000 -2.136) 3.054 11.759 ( 2.703 0.000 -2.043) 3.388 11.818 ( 6.422 0.000 2.430) 6.866 11.877 ( 1.789 0.000 -2.433) 3.020 12.068 ( -0.108 0.000 -3.301) 3.303 12.081 ( 2.941 0.000 -2.245) 3.700 12.091 ( -6.585 0.000 -0.638) 6.616 12.361 ( 8.338 0.000 -8.354) 11.804 12.368 ( 0.008 0.000 5.569) 5.569 12.670 ( 3.057 0.000 0.680) 3.131 12.898 ( 0.080 0.000 0.118) 0.142 12.968 ( -0.015 0.000 -8.421) 8.421 13.268 ( 0.621 0.000 -4.581) 4.623 13.295 ( 1.890 0.000 -8.683) 8.887 13.524 ( -10.511 0.000 5.326) 11.784 13.602 ( -5.997 0.000 -6.922) 9.158 13.618 ( -5.911 0.000 10.907) 12.406 13.769 ( 8.073 0.000 -9.739) 12.650 14.089 ( -6.285 0.000 5.851) 8.587 14.558 ( 0.436 0.000 9.610) 9.620 14.582 ( -1.653 0.000 -2.879) 3.320 14.689 ( -1.796 0.000 -1.936) 2.641 15.955 ( -0.344 0.000 0.545) 0.644 16.103 ( 0.419 0.000 -2.579) 2.613 16.191 ( 1.867 0.000 2.134) 2.835 16.235 ( 3.237 0.000 1.190) 3.449 16.470 ( -0.239 0.000 2.677) 2.688 16.513 ( 0.797 0.000 -0.794) 1.125 16.626 ( 1.154 0.000 2.307) 2.579 16.666 ( 1.177 0.000 -0.250) 1.203 17.319 ( -2.717 0.000 -1.972) 3.357 17.324 ( -4.868 0.000 4.762) 6.810 17.414 ( -4.155 0.000 -0.245) 4.162 17.531 ( -5.157 0.000 2.965) 5.948 19.173 ( 11.699 0.000 -0.963) 11.738 19.236 ( 13.587 0.000 3.402) 14.007 19.479 ( 15.249 0.000 0.378) 15.253 19.515 ( 21.248 0.000 -7.237) 22.447 20.423 ( -5.130 0.000 3.017) 5.952 20.455 ( -4.362 0.000 -1.997) 4.797 20.804 ( -9.855 0.000 2.835) 10.255 20.984 ( -6.398 0.000 0.692) 6.435 22.031 ( -1.536 0.000 -2.361) 2.816 22.103 ( 0.328 0.000 3.256) 3.273 22.328 ( -4.422 0.000 -0.999) 4.533 22.539 ( -0.247 0.000 0.724) 0.765 22.567 ( 0.368 0.000 -0.500) 0.621 22.654 ( 1.163 0.000 4.656) 4.799 22.683 ( -2.557 0.000 -0.461) 2.598 22.706 ( -2.738 0.000 -2.686) 3.835 27.292 ( -0.731 0.000 1.833) 1.973 27.351 ( -2.246 0.000 3.517) 4.173 27.373 ( 1.315 0.000 -1.090) 1.708 27.487 ( -0.685 0.000 -1.126) 1.318 28.703 ( -2.321 0.000 3.346) 4.073 28.897 ( -5.855 0.000 8.199) 10.075 28.901 ( 1.943 0.000 -2.114) 2.871 29.294 ( -4.284 0.000 -3.095) 5.285 30.244 ( 0.927 0.000 0.391) 1.006 30.370 ( 3.229 0.000 -0.969) 3.371 30.453 ( 9.796 0.000 2.143) 10.027 30.741 ( -3.624 0.000 4.223) 5.565 30.977 ( 15.494 0.000 -8.044) 17.458 31.092 ( 3.904 0.000 -5.062) 6.392 31.766 ( -8.756 0.000 -3.538) 9.444 31.792 ( -8.727 0.000 3.481) 9.396 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -12.549 0.000 11.061) 16.728 1.934 ( 16.075 0.000 -9.982) 18.922 1.974 ( 6.996 0.000 5.963) 9.192 2.167 ( 10.800 0.000 -3.383) 11.318 2.212 ( -7.167 0.000 0.419) 7.180 2.276 ( -9.563 0.000 2.036) 9.777 2.474 ( 3.063 0.000 -10.263) 10.710 2.522 ( 10.274 0.000 2.290) 10.526 2.636 ( -1.271 0.000 -1.635) 2.071 2.701 ( 5.180 0.000 3.572) 6.292 2.790 ( 2.125 0.000 8.358) 8.624 2.811 ( 8.881 0.000 -0.552) 8.899 2.893 ( 9.461 0.000 -8.644) 12.815 2.962 ( 4.134 0.000 -3.046) 5.135 2.990 ( -0.128 0.000 4.913) 4.915 3.041 ( 4.258 0.000 -0.467) 4.283 3.069 ( -1.782 0.000 0.889) 1.991 3.114 ( -3.867 0.000 3.997) 5.562 3.201 ( 2.877 0.000 -7.531) 8.062 3.234 ( 1.727 0.000 -2.089) 2.710 3.307 ( -3.196 0.000 -1.101) 3.380 3.477 ( -0.953 0.000 -0.339) 1.012 3.505 ( -2.726 0.000 0.852) 2.856 3.657 ( 5.528 0.000 8.321) 9.990 3.697 ( 6.279 0.000 4.530) 7.742 3.706 ( 2.815 0.000 -1.660) 3.268 3.856 ( 5.869 0.000 -9.380) 11.065 3.928 ( 12.050 0.000 -8.780) 14.909 4.034 ( -13.476 0.000 3.491) 13.921 4.169 ( 0.363 0.000 -0.776) 0.856 4.177 ( 3.104 0.000 -0.664) 3.174 4.241 ( 2.629 0.000 -0.019) 2.629 4.344 ( -13.935 0.000 9.371) 16.793 4.351 ( 0.894 0.000 -1.398) 1.659 4.615 ( 2.894 0.000 5.373) 6.102 4.658 ( -3.601 0.000 -6.482) 7.415 4.665 ( 0.463 0.000 1.648) 1.711 4.739 ( 3.984 0.000 -5.605) 6.877 4.859 ( 5.153 0.000 -2.212) 5.608 4.897 ( -6.776 0.000 2.753) 7.314 4.950 ( -1.128 0.000 -0.043) 1.129 5.011 ( -3.199 0.000 0.610) 3.257 5.057 ( -7.249 0.000 0.439) 7.262 5.167 ( -1.940 0.000 -3.451) 3.959 5.193 ( 2.992 0.000 -3.087) 4.298 5.247 ( -2.335 0.000 2.763) 3.618 5.331 ( -9.436 0.000 -5.400) 10.872 5.392 ( 0.495 0.000 4.225) 4.254 5.454 ( 7.487 0.000 3.553) 8.287 5.481 ( -3.852 0.000 -1.794) 4.249 5.637 ( 1.934 0.000 -7.152) 7.409 5.742 ( 9.785 0.000 -3.491) 10.389 5.781 ( -3.379 0.000 6.572) 7.390 5.814 ( -4.057 0.000 1.874) 4.469 5.969 ( -3.816 0.000 4.587) 5.967 6.000 ( 2.209 0.000 2.492) 3.330 6.114 ( -3.684 0.000 -1.554) 3.998 6.176 ( 2.341 0.000 4.074) 4.699 6.287 ( 7.231 0.000 -0.774) 7.273 6.287 ( 4.364 0.000 -3.528) 5.612 6.691 ( -0.721 0.000 -1.249) 1.442 6.862 ( 2.392 0.000 -4.071) 4.722 6.876 ( -0.903 0.000 0.332) 0.962 6.965 ( -0.921 0.000 -1.401) 1.677 7.032 ( 1.751 0.000 4.448) 4.780 7.046 ( -2.560 0.000 -1.335) 2.887 7.066 ( 4.236 0.000 4.016) 5.836 7.240 ( 0.313 0.000 3.154) 3.170 7.315 ( 1.832 0.000 -4.293) 4.668 7.386 ( 0.342 0.000 -1.699) 1.733 7.471 ( -3.868 0.000 0.003) 3.868 7.553 ( 5.846 0.000 -1.841) 6.129 7.730 ( -3.149 0.000 1.550) 3.510 7.880 ( -4.972 0.000 -2.645) 5.632 7.882 ( -6.496 0.000 0.975) 6.569 8.001 ( 2.118 0.000 2.765) 3.483 8.017 ( -5.452 0.000 1.110) 5.564 8.145 ( -0.711 0.000 -0.541) 0.893 8.264 ( -2.873 0.000 0.037) 2.874 8.298 ( -5.177 0.000 -1.652) 5.435 8.495 ( 0.455 0.000 -0.965) 1.067 8.522 ( -0.916 0.000 1.428) 1.697 8.612 ( -6.764 0.000 -1.537) 6.937 8.722 ( -3.180 0.000 0.984) 3.329 9.752 ( 1.108 0.000 -3.794) 3.952 9.892 ( 1.451 0.000 -5.021) 5.227 9.899 ( 1.851 0.000 3.024) 3.546 10.054 ( -1.887 0.000 9.182) 9.374 10.075 ( 2.195 0.000 2.854) 3.601 10.085 ( 2.332 0.000 -1.075) 2.568 10.303 ( -0.699 0.000 3.205) 3.280 10.349 ( -3.103 0.000 4.198) 5.220 10.551 ( 3.670 0.000 11.411) 11.987 10.839 ( 0.304 0.000 1.923) 1.947 10.995 ( 6.684 0.000 2.208) 7.039 11.191 ( -4.021 0.000 -2.242) 4.604 11.230 ( -3.848 0.000 -3.661) 5.311 11.257 ( -5.415 0.000 -0.348) 5.427 11.324 ( 2.718 0.000 -0.925) 2.871 11.452 ( -1.714 0.000 0.935) 1.952 11.552 ( 2.184 0.000 4.560) 5.056 11.617 ( 2.544 0.000 2.674) 3.690 11.689 ( 7.359 0.000 -2.977) 7.938 11.749 ( -0.088 0.000 -5.993) 5.994 11.867 ( -3.858 0.000 0.847) 3.950 11.896 ( 3.072 0.000 -0.731) 3.158 12.037 ( 0.502 0.000 -3.125) 3.165 12.072 ( 3.112 0.000 2.264) 3.848 12.076 ( 2.111 0.000 -6.763) 7.085 12.430 ( 1.799 0.000 5.502) 5.788 12.468 ( 8.978 0.000 -6.444) 11.051 12.727 ( 4.199 0.000 -2.432) 4.852 12.879 ( -1.140 0.000 -2.196) 2.474 12.882 ( 0.316 0.000 -9.819) 9.824 13.254 ( 0.227 0.000 -1.968) 1.981 13.256 ( -3.594 0.000 -8.428) 9.162 13.311 ( -10.451 0.000 -5.213) 11.679 13.352 ( -5.898 0.000 -2.103) 6.261 13.670 ( 2.116 0.000 -0.514) 2.178 13.851 ( 5.240 0.000 -3.507) 6.306 14.045 ( -5.164 0.000 7.487) 9.095 14.394 ( -5.863 0.000 -10.435) 11.969 14.668 ( 0.969 0.000 10.790) 10.833 14.791 ( 3.568 0.000 7.515) 8.320 15.955 ( -0.201 0.000 0.498) 0.538 16.087 ( 0.510 0.000 -3.252) 3.291 16.230 ( 0.464 0.000 2.069) 2.120 16.285 ( 1.337 0.000 0.869) 1.594 16.493 ( -0.381 0.000 3.128) 3.151 16.528 ( 1.053 0.000 0.140) 1.062 16.659 ( 0.044 0.000 2.132) 2.132 16.682 ( 0.671 0.000 0.177) 0.694 17.275 ( -0.365 0.000 -1.391) 1.438 17.283 ( -3.551 0.000 3.005) 4.652 17.366 ( -1.176 0.000 0.169) 1.188 17.459 ( -5.218 0.000 1.946) 5.569 19.387 ( 11.884 0.000 -0.790) 11.911 19.461 ( 7.446 0.000 1.875) 7.678 19.766 ( 13.447 0.000 4.245) 14.101 19.818 ( 18.607 0.000 -4.745) 19.203 20.347 ( -6.471 0.000 3.503) 7.358 20.358 ( -4.274 0.000 -1.278) 4.461 20.680 ( -7.367 0.000 3.864) 8.319 20.857 ( -6.715 0.000 -1.592) 6.901 22.004 ( 0.301 0.000 -0.989) 1.034 22.108 ( -2.047 0.000 0.241) 2.062 22.282 ( -0.572 0.000 1.720) 1.812 22.536 ( -0.800 0.000 0.596) 0.998 22.573 ( 0.792 0.000 -0.549) 0.964 22.616 ( -3.576 0.000 -3.752) 5.184 22.645 ( -1.531 0.000 0.616) 1.651 22.693 ( -0.230 0.000 2.240) 2.251 27.298 ( -0.591 0.000 1.966) 2.053 27.348 ( -1.351 0.000 3.095) 3.377 27.383 ( 1.154 0.000 -1.568) 1.947 27.459 ( -1.110 0.000 -1.128) 1.582 28.703 ( -1.401 0.000 3.938) 4.180 28.877 ( -4.342 0.000 7.659) 8.804 28.909 ( 1.449 0.000 -2.976) 3.310 29.195 ( -2.808 0.000 -3.531) 4.511 30.269 ( 1.044 0.000 1.152) 1.555 30.399 ( 1.262 0.000 -1.763) 2.168 30.644 ( 6.786 0.000 5.159) 8.524 30.727 ( -2.367 0.000 4.735) 5.294 31.098 ( 2.379 0.000 -6.088) 6.537 31.139 ( 10.643 0.000 -8.331) 13.516 31.614 ( -5.110 0.000 -2.526) 5.700 31.661 ( -7.054 0.000 0.231) 7.058 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -19.537 0.000 19.653) 27.711 1.950 ( -16.135 0.000 1.201) 16.180 2.042 ( -11.231 0.000 1.638) 11.350 2.101 ( -1.684 0.000 -2.295) 2.847 2.145 ( 11.442 0.000 -1.582) 11.551 2.280 ( 2.526 0.000 2.736) 3.724 2.474 ( 8.927 0.000 -15.830) 18.174 2.539 ( -1.679 0.000 -5.521) 5.771 2.631 ( 2.776 0.000 -1.237) 3.039 2.765 ( -1.365 0.000 0.367) 1.414 2.805 ( -6.597 0.000 -0.087) 6.597 2.817 ( 2.672 0.000 -9.542) 9.909 2.954 ( 0.266 0.000 2.062) 2.079 2.962 ( 0.572 0.000 6.329) 6.355 3.058 ( -7.725 0.000 2.097) 8.005 3.120 ( 2.296 0.000 -1.306) 2.641 3.168 ( 1.063 0.000 1.243) 1.636 3.181 ( 1.782 0.000 5.399) 5.686 3.230 ( 6.978 0.000 -0.184) 6.980 3.247 ( 6.924 0.000 -2.359) 7.315 3.300 ( 4.151 0.000 1.779) 4.517 3.440 ( -4.007 0.000 -0.503) 4.038 3.469 ( -5.699 0.000 1.968) 6.029 3.645 ( 0.033 0.000 -7.132) 7.132 3.696 ( -4.809 0.000 1.973) 5.198 3.912 ( 6.066 0.000 6.641) 8.994 3.929 ( -1.780 0.000 -3.767) 4.166 3.933 ( -4.661 0.000 2.588) 5.331 3.950 ( 6.786 0.000 -2.877) 7.371 4.052 ( -6.002 0.000 4.101) 7.269 4.108 ( -4.394 0.000 -4.479) 6.275 4.249 ( -4.148 0.000 2.475) 4.831 4.337 ( -3.231 0.000 -6.419) 7.186 4.423 ( 16.411 0.000 -1.067) 16.446 4.622 ( 7.310 0.000 -0.469) 7.325 4.703 ( 2.071 0.000 2.554) 3.288 4.744 ( 1.218 0.000 3.088) 3.319 4.758 ( -10.319 0.000 3.351) 10.850 4.763 ( 1.947 0.000 3.633) 4.122 4.935 ( 6.252 0.000 -4.976) 7.990 4.946 ( 2.618 0.000 -1.112) 2.844 4.970 ( -1.221 0.000 -0.740) 1.428 4.984 ( 2.094 0.000 -1.823) 2.776 5.081 ( -9.651 0.000 -8.659) 12.966 5.168 ( 1.632 0.000 0.708) 1.779 5.220 ( -0.458 0.000 1.857) 1.913 5.294 ( 6.796 0.000 -0.708) 6.832 5.357 ( -5.226 0.000 -2.714) 5.888 5.453 ( 1.054 0.000 2.077) 2.329 5.620 ( 3.217 0.000 -3.134) 4.491 5.659 ( -3.976 0.000 4.159) 5.754 5.698 ( -9.659 0.000 2.528) 9.985 5.701 ( 3.376 0.000 -1.895) 3.871 5.840 ( -0.133 0.000 0.229) 0.265 5.915 ( 2.835 0.000 -2.120) 3.540 6.058 ( 1.229 0.000 -3.227) 3.453 6.121 ( 2.017 0.000 9.561) 9.772 6.229 ( -1.375 0.000 5.268) 5.445 6.348 ( 4.393 0.000 -2.305) 4.960 6.387 ( 2.544 0.000 -2.275) 3.413 6.696 ( 1.776 0.000 0.624) 1.883 6.875 ( 2.366 0.000 -3.319) 4.076 6.905 ( 2.561 0.000 3.866) 4.637 6.912 ( -1.566 0.000 -3.307) 3.659 6.994 ( -0.968 0.000 -3.117) 3.264 7.044 ( -3.680 0.000 -0.643) 3.736 7.156 ( 0.110 0.000 5.707) 5.708 7.270 ( -1.343 0.000 4.008) 4.227 7.346 ( 3.396 0.000 0.837) 3.497 7.355 ( -1.951 0.000 -1.121) 2.250 7.390 ( -1.198 0.000 -4.399) 4.559 7.551 ( -6.060 0.000 -5.897) 8.455 7.680 ( 5.842 0.000 0.062) 5.842 7.769 ( -5.283 0.000 -2.634) 5.903 7.883 ( -0.839 0.000 5.971) 6.030 7.966 ( -0.686 0.000 1.767) 1.895 8.071 ( 1.780 0.000 3.704) 4.109 8.154 ( 2.282 0.000 -0.127) 2.285 8.211 ( -1.303 0.000 -2.179) 2.539 8.211 ( -2.359 0.000 -3.565) 4.275 8.499 ( -1.394 0.000 -0.273) 1.421 8.502 ( 1.702 0.000 -0.859) 1.906 8.598 ( 3.727 0.000 2.737) 4.624 8.668 ( -3.248 0.000 0.090) 3.249 9.755 ( 2.067 0.000 -2.063) 2.920 9.836 ( -1.858 0.000 -4.834) 5.179 9.965 ( 1.229 0.000 4.520) 4.684 10.067 ( -3.625 0.000 0.827) 3.718 10.124 ( 2.701 0.000 2.999) 4.036 10.140 ( 2.769 0.000 1.971) 3.399 10.339 ( -1.600 0.000 2.991) 3.392 10.347 ( 1.920 0.000 2.674) 3.292 10.706 ( -0.508 0.000 13.820) 13.829 10.895 ( 3.566 0.000 3.845) 5.244 11.017 ( -6.195 0.000 -0.705) 6.235 11.105 ( -6.471 0.000 -5.343) 8.392 11.158 ( -1.257 0.000 -0.980) 1.594 11.161 ( 2.724 0.000 0.395) 2.752 11.376 ( 1.344 0.000 1.327) 1.889 11.439 ( -0.460 0.000 1.944) 1.997 11.541 ( 0.281 0.000 -5.517) 5.524 11.646 ( -4.068 0.000 -6.362) 7.551 11.748 ( 0.701 0.000 6.575) 6.612 11.789 ( -5.055 0.000 6.127) 7.943 11.809 ( 6.825 0.000 0.317) 6.832 11.967 ( 4.725 0.000 -1.159) 4.865 12.021 ( 0.580 0.000 -2.107) 2.185 12.070 ( 3.595 0.000 -3.885) 5.293 12.133 ( 1.062 0.000 0.137) 1.071 12.523 ( 3.233 0.000 -5.738) 6.586 12.533 ( 4.898 0.000 2.796) 5.639 12.702 ( 2.287 0.000 -17.762) 17.908 12.833 ( -2.046 0.000 0.214) 2.057 12.891 ( 4.900 0.000 1.730) 5.197 13.013 ( -10.377 0.000 -5.716) 11.847 13.066 ( -7.927 0.000 -7.300) 10.776 13.276 ( 1.769 0.000 -0.415) 1.817 13.382 ( 6.046 0.000 -4.312) 7.426 13.703 ( 3.436 0.000 -0.739) 3.515 13.836 ( -1.221 0.000 -9.194) 9.274 14.037 ( -4.110 0.000 8.602) 9.534 14.261 ( -0.841 0.000 -4.619) 4.695 14.759 ( -1.625 0.000 9.830) 9.963 14.889 ( 0.383 0.000 5.515) 5.528 15.957 ( -0.212 0.000 1.022) 1.044 16.062 ( 0.220 0.000 -3.555) 3.561 16.246 ( -0.671 0.000 2.195) 2.295 16.301 ( 0.055 0.000 0.263) 0.269 16.504 ( -1.319 0.000 2.631) 2.943 16.549 ( 0.887 0.000 0.425) 0.983 16.666 ( -1.060 0.000 1.711) 2.013 16.695 ( 0.503 0.000 0.480) 0.696 17.252 ( -2.299 0.000 1.581) 2.790 17.283 ( 1.939 0.000 -0.049) 1.940 17.371 ( 0.857 0.000 1.078) 1.378 17.389 ( -4.131 0.000 1.338) 4.343 19.505 ( -3.814 0.000 0.474) 3.843 19.529 ( 3.433 0.000 -0.354) 3.451 19.928 ( -2.604 0.000 3.964) 4.743 20.064 ( 11.699 0.000 -3.935) 12.343 20.272 ( -3.880 0.000 2.434) 4.580 20.336 ( 4.609 0.000 -0.621) 4.650 20.625 ( -2.609 0.000 5.302) 5.910 20.753 ( -1.956 0.000 -2.633) 3.280 22.025 ( 2.383 0.000 0.220) 2.393 22.051 ( -3.061 0.000 -1.205) 3.290 22.326 ( 2.011 0.000 3.897) 4.386 22.495 ( -3.043 0.000 -3.665) 4.764 22.547 ( -1.168 0.000 0.053) 1.169 22.578 ( 0.229 0.000 -0.752) 0.786 22.654 ( 1.815 0.000 1.472) 2.337 22.697 ( -0.017 0.000 -0.259) 0.259 27.304 ( -0.844 0.000 2.108) 2.270 27.362 ( -0.108 0.000 3.052) 3.054 27.382 ( 0.232 0.000 -1.820) 1.834 27.436 ( -0.004 0.000 -1.262) 1.262 28.721 ( -0.894 0.000 4.523) 4.611 28.882 ( -2.735 0.000 7.989) 8.444 28.896 ( 0.456 0.000 -3.660) 3.688 29.148 ( 1.563 0.000 -4.367) 4.638 30.297 ( 0.498 0.000 1.761) 1.830 30.385 ( -0.547 0.000 -2.343) 2.406 30.741 ( -1.366 0.000 5.802) 5.960 30.755 ( -0.270 0.000 6.140) 6.146 31.075 ( 1.326 0.000 -6.193) 6.333 31.192 ( 4.342 0.000 -10.758) 11.601 31.547 ( -0.854 0.000 -0.313) 0.910 31.569 ( -2.653 0.000 -0.768) 2.762 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -20.670 0.000 27.485) 34.390 1.598 ( -24.090 0.000 5.557) 24.722 1.887 ( -8.917 0.000 4.335) 9.915 2.113 ( 1.434 0.000 6.763) 6.913 2.312 ( 5.331 0.000 1.715) 5.600 2.316 ( -3.291 0.000 7.063) 7.792 2.453 ( 0.493 0.000 -8.448) 8.462 2.472 ( 5.189 0.000 -12.553) 13.583 2.670 ( -2.673 0.000 -1.396) 3.016 2.689 ( -5.941 0.000 -2.483) 6.440 2.698 ( -3.208 0.000 0.495) 3.246 2.770 ( -4.824 0.000 -3.292) 5.840 2.847 ( -19.302 0.000 2.905) 19.519 2.963 ( -3.821 0.000 -0.713) 3.887 2.979 ( -3.835 0.000 1.557) 4.139 2.999 ( -7.065 0.000 2.999) 7.675 3.035 ( -12.641 0.000 0.374) 12.647 3.176 ( 1.272 0.000 -2.443) 2.754 3.285 ( -2.042 0.000 -2.992) 3.622 3.285 ( 2.996 0.000 -1.040) 3.172 3.404 ( -2.671 0.000 10.191) 10.535 3.413 ( 6.215 0.000 -6.777) 9.196 3.535 ( 0.493 0.000 0.057) 0.497 3.612 ( 0.962 0.000 -6.830) 6.897 3.637 ( 6.397 0.000 -2.935) 7.039 3.710 ( -10.892 0.000 3.815) 11.541 3.835 ( -7.744 0.000 -2.940) 8.283 3.994 ( -8.460 0.000 7.217) 11.120 4.031 ( 4.770 0.000 2.981) 5.625 4.053 ( 2.737 0.000 -7.413) 7.902 4.096 ( 2.016 0.000 4.632) 5.052 4.175 ( -4.946 0.000 -2.851) 5.709 4.325 ( 9.204 0.000 -1.704) 9.360 4.618 ( -5.357 0.000 0.292) 5.365 4.621 ( -1.315 0.000 3.499) 3.738 4.713 ( 7.566 0.000 -5.484) 9.344 4.791 ( 3.726 0.000 1.170) 3.906 4.848 ( -4.458 0.000 -9.189) 10.214 4.860 ( 12.016 0.000 2.076) 12.194 4.910 ( 8.034 0.000 2.678) 8.469 4.943 ( -0.481 0.000 -2.826) 2.867 5.015 ( 4.371 0.000 -1.020) 4.489 5.034 ( 6.174 0.000 0.035) 6.174 5.048 ( 4.776 0.000 2.527) 5.403 5.211 ( 0.376 0.000 -2.431) 2.460 5.218 ( 0.794 0.000 2.962) 3.066 5.250 ( -1.788 0.000 -4.760) 5.085 5.405 ( -1.789 0.000 1.746) 2.500 5.476 ( -0.087 0.000 -0.118) 0.147 5.492 ( -1.872 0.000 3.698) 4.144 5.534 ( -7.714 0.000 0.471) 7.728 5.645 ( 3.971 0.000 -7.793) 8.746 5.808 ( -2.511 0.000 4.648) 5.282 5.884 ( 7.374 0.000 1.700) 7.567 6.021 ( 7.809 0.000 -1.918) 8.041 6.045 ( -2.068 0.000 -0.366) 2.100 6.198 ( -2.286 0.000 7.509) 7.849 6.228 ( -1.472 0.000 0.477) 1.547 6.335 ( -2.328 0.000 -6.872) 7.256 6.379 ( 1.463 0.000 -3.037) 3.371 6.736 ( -0.170 0.000 2.232) 2.239 6.801 ( -2.377 0.000 -7.610) 7.973 6.905 ( -5.606 0.000 -0.928) 5.682 6.962 ( 2.647 0.000 -0.569) 2.708 6.969 ( 2.835 0.000 -3.921) 4.839 7.013 ( 2.218 0.000 6.896) 7.244 7.162 ( -3.340 0.000 5.811) 6.703 7.224 ( -4.387 0.000 -0.311) 4.398 7.353 ( -0.883 0.000 0.698) 1.125 7.363 ( 0.967 0.000 -0.337) 1.024 7.420 ( -1.214 0.000 -0.275) 1.244 7.436 ( 1.240 0.000 0.983) 1.583 7.679 ( -1.510 0.000 0.815) 1.716 7.782 ( 4.390 0.000 0.070) 4.390 7.941 ( 2.326 0.000 4.140) 4.749 8.003 ( 2.375 0.000 0.174) 2.381 8.113 ( 0.369 0.000 2.091) 2.123 8.138 ( -1.343 0.000 -5.533) 5.694 8.219 ( 4.008 0.000 -0.495) 4.038 8.223 ( 4.955 0.000 0.964) 5.048 8.515 ( 2.718 0.000 -0.926) 2.871 8.553 ( 3.948 0.000 -0.256) 3.956 8.621 ( -0.859 0.000 -0.351) 0.928 8.707 ( 5.260 0.000 2.312) 5.746 9.770 ( -0.591 0.000 -4.134) 4.176 9.771 ( 0.310 0.000 -0.616) 0.689 9.981 ( -5.092 0.000 -1.134) 5.217 10.008 ( -0.375 0.000 3.470) 3.491 10.201 ( 4.253 0.000 -0.472) 4.279 10.207 ( 2.310 0.000 1.925) 3.006 10.340 ( -0.885 0.000 1.732) 1.945 10.397 ( 1.261 0.000 2.173) 2.512 10.760 ( -5.800 0.000 12.843) 14.092 10.866 ( -9.020 0.000 0.420) 9.030 10.957 ( -3.833 0.000 -5.187) 6.449 11.005 ( 1.757 0.000 6.987) 7.205 11.189 ( 3.553 0.000 1.566) 3.883 11.234 ( 4.969 0.000 -1.875) 5.311 11.381 ( -1.160 0.000 2.778) 3.011 11.454 ( -4.510 0.000 -6.623) 8.013 11.491 ( 2.118 0.000 4.555) 5.024 11.525 ( -3.223 0.000 -4.446) 5.491 11.679 ( -4.503 0.000 0.164) 4.506 11.863 ( -0.478 0.000 8.129) 8.143 11.875 ( 2.168 0.000 -4.920) 5.376 12.023 ( -0.361 0.000 -0.404) 0.542 12.048 ( 4.097 0.000 1.028) 4.224 12.105 ( -1.028 0.000 -3.709) 3.849 12.132 ( 5.242 0.000 -1.880) 5.569 12.483 ( 1.634 0.000 -17.372) 17.449 12.547 ( -1.568 0.000 -14.078) 14.165 12.590 ( 1.004 0.000 -3.116) 3.274 12.836 ( -4.921 0.000 -3.071) 5.801 12.881 ( 2.384 0.000 11.443) 11.689 12.888 ( -4.463 0.000 -0.760) 4.528 13.030 ( 4.614 0.000 1.574) 4.876 13.347 ( 6.996 0.000 2.081) 7.299 13.432 ( 5.124 0.000 -6.750) 8.474 13.682 ( -4.126 0.000 -10.892) 11.648 13.806 ( 6.166 0.000 3.794) 7.240 14.037 ( -4.086 0.000 7.518) 8.557 14.255 ( 1.933 0.000 -1.667) 2.553 14.772 ( -5.568 0.000 7.186) 9.091 14.896 ( -3.470 0.000 2.521) 4.289 15.967 ( -0.101 0.000 1.831) 1.833 16.035 ( 0.267 0.000 -3.214) 3.225 16.248 ( -1.277 0.000 2.243) 2.581 16.291 ( -1.214 0.000 -0.216) 1.233 16.495 ( -1.915 0.000 1.992) 2.764 16.567 ( 0.820 0.000 0.117) 0.829 16.657 ( -1.367 0.000 1.457) 1.998 16.706 ( 0.188 0.000 0.340) 0.388 17.225 ( -1.875 0.000 0.668) 1.991 17.335 ( 3.456 0.000 0.397) 3.479 17.344 ( -2.193 0.000 1.752) 2.807 17.413 ( 2.068 0.000 2.465) 3.218 19.361 ( -11.529 0.000 0.312) 11.533 19.488 ( -7.416 0.000 0.595) 7.440 19.761 ( -15.792 0.000 0.372) 15.796 20.050 ( -6.239 0.000 -9.142) 11.068 20.316 ( 5.350 0.000 0.811) 5.411 20.465 ( 8.309 0.000 -1.177) 8.392 20.706 ( 5.251 0.000 7.433) 9.100 20.750 ( 3.365 0.000 -1.591) 3.722 21.995 ( -2.121 0.000 -0.690) 2.230 22.086 ( 3.649 0.000 0.813) 3.739 22.408 ( -2.294 0.000 -4.066) 4.669 22.413 ( 3.093 0.000 5.560) 6.362 22.541 ( -0.504 0.000 0.942) 1.069 22.571 ( -0.282 0.000 -0.504) 0.578 22.697 ( 1.095 0.000 -1.540) 1.890 22.728 ( 4.891 0.000 0.653) 4.934 27.306 ( -1.093 0.000 2.163) 2.423 27.363 ( -0.472 0.000 -1.458) 1.533 27.398 ( 1.139 0.000 2.991) 3.201 27.438 ( 1.426 0.000 -1.668) 2.195 28.746 ( -1.037 0.000 4.630) 4.745 28.865 ( 0.054 0.000 -3.714) 3.715 28.936 ( 0.311 0.000 9.831) 9.836 29.168 ( 5.456 0.000 -5.736) 7.917 30.314 ( -0.569 0.000 2.010) 2.089 30.345 ( -1.442 0.000 -2.410) 2.808 30.750 ( -6.014 0.000 6.005) 8.499 30.777 ( -0.972 0.000 6.513) 6.585 31.035 ( 0.185 0.000 -5.811) 5.814 31.087 ( -3.499 0.000 -14.980) 15.384 31.559 ( 1.807 0.000 0.181) 1.816 31.583 ( 3.443 0.000 3.588) 4.972 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -24.998 0.000 11.672) 27.589 1.310 ( -21.671 0.000 25.205) 33.240 1.841 ( -4.385 0.000 11.321) 12.140 2.179 ( -8.068 0.000 -0.448) 8.081 2.273 ( -7.362 0.000 -0.146) 7.364 2.275 ( -18.425 0.000 16.310) 24.607 2.352 ( -14.189 0.000 -8.873) 16.735 2.392 ( -10.030 0.000 6.868) 12.156 2.494 ( 2.339 0.000 5.948) 6.392 2.525 ( -12.682 0.000 3.937) 13.279 2.547 ( -4.175 0.000 -0.296) 4.185 2.556 ( -9.182 0.000 2.764) 9.589 2.742 ( -1.010 0.000 -2.234) 2.451 2.884 ( -11.236 0.000 -7.255) 13.375 2.928 ( 3.153 0.000 -0.042) 3.153 2.957 ( 2.174 0.000 1.910) 2.894 2.972 ( -0.620 0.000 5.572) 5.607 3.192 ( -0.742 0.000 -2.308) 2.425 3.204 ( 4.638 0.000 -2.451) 5.245 3.303 ( -2.026 0.000 -2.365) 3.115 3.316 ( -8.697 0.000 -0.412) 8.707 3.480 ( 4.506 0.000 -10.017) 10.984 3.485 ( 0.048 0.000 0.000) 0.048 3.525 ( -0.329 0.000 -4.195) 4.208 3.672 ( -2.490 0.000 3.267) 4.107 3.690 ( -4.323 0.000 -1.896) 4.720 3.812 ( 7.714 0.000 -1.460) 7.851 3.924 ( -0.740 0.000 -8.960) 8.991 3.936 ( -2.869 0.000 9.904) 10.311 4.123 ( -1.470 0.000 1.404) 2.033 4.135 ( -2.037 0.000 0.402) 2.076 4.249 ( 9.494 0.000 5.391) 10.918 4.385 ( -1.731 0.000 0.459) 1.791 4.592 ( -2.413 0.000 -1.932) 3.091 4.604 ( -1.507 0.000 -0.539) 1.601 4.676 ( -0.089 0.000 -3.847) 3.848 4.736 ( 1.979 0.000 -4.101) 4.554 4.890 ( 4.523 0.000 -8.052) 9.236 4.940 ( 5.113 0.000 0.725) 5.164 4.979 ( 2.056 0.000 -3.794) 4.315 5.017 ( -1.215 0.000 -1.152) 1.675 5.046 ( -0.483 0.000 0.396) 0.625 5.142 ( 3.699 0.000 2.443) 4.433 5.205 ( 6.524 0.000 -2.099) 6.853 5.233 ( 2.781 0.000 -2.830) 3.968 5.252 ( 1.773 0.000 -1.529) 2.341 5.285 ( 9.970 0.000 10.014) 14.130 5.331 ( -3.205 0.000 5.403) 6.282 5.455 ( 3.577 0.000 -2.032) 4.114 5.511 ( -0.467 0.000 2.398) 2.443 5.577 ( 2.561 0.000 -3.119) 4.036 5.634 ( 3.662 0.000 -4.459) 5.770 5.819 ( -1.933 0.000 2.855) 3.447 5.918 ( -4.043 0.000 -2.939) 4.998 5.992 ( -3.198 0.000 0.857) 3.311 6.121 ( 3.438 0.000 1.926) 3.941 6.181 ( -1.770 0.000 -3.237) 3.689 6.183 ( -2.760 0.000 -0.134) 2.763 6.242 ( -0.293 0.000 -6.418) 6.424 6.333 ( -1.802 0.000 -6.245) 6.500 6.715 ( -0.514 0.000 -3.572) 3.608 6.722 ( -2.989 0.000 2.923) 4.181 6.785 ( -5.251 0.000 0.596) 5.285 7.007 ( 1.402 0.000 -1.074) 1.766 7.048 ( 3.701 0.000 2.054) 4.233 7.060 ( -0.142 0.000 0.412) 0.436 7.152 ( -1.256 0.000 -3.860) 4.060 7.184 ( 0.019 0.000 4.307) 4.307 7.309 ( 1.303 0.000 -1.894) 2.298 7.368 ( 0.121 0.000 -0.857) 0.865 7.399 ( -4.154 0.000 2.228) 4.714 7.553 ( 7.526 0.000 8.693) 11.498 7.720 ( -0.683 0.000 4.968) 5.014 7.862 ( 4.959 0.000 1.512) 5.184 8.026 ( 3.350 0.000 3.111) 4.572 8.037 ( 1.530 0.000 -2.810) 3.200 8.068 ( 1.251 0.000 -5.162) 5.311 8.140 ( 0.604 0.000 0.974) 1.146 8.312 ( 4.484 0.000 2.704) 5.236 8.339 ( 6.486 0.000 0.962) 6.557 8.546 ( 2.394 0.000 -2.708) 3.615 8.586 ( 2.207 0.000 -0.960) 2.407 8.683 ( 4.931 0.000 1.599) 5.184 8.803 ( 3.532 0.000 0.306) 3.546 9.743 ( -2.712 0.000 -0.071) 2.713 9.751 ( 2.125 0.000 -2.941) 3.628 9.887 ( -3.763 0.000 -1.499) 4.050 10.017 ( -1.485 0.000 1.381) 2.028 10.243 ( -0.564 0.000 3.242) 3.291 10.249 ( 4.249 0.000 -5.983) 7.338 10.348 ( 2.059 0.000 -0.302) 2.081 10.442 ( 0.475 0.000 4.551) 4.576 10.740 ( -4.538 0.000 -1.295) 4.719 10.753 ( -6.395 0.000 10.097) 11.952 10.878 ( -1.272 0.000 -3.786) 3.994 11.018 ( -10.262 0.000 6.654) 12.231 11.230 ( 0.114 0.000 -1.073) 1.079 11.286 ( 3.523 0.000 -1.797) 3.954 11.324 ( -2.252 0.000 -2.665) 3.490 11.438 ( 2.476 0.000 6.677) 7.121 11.476 ( 0.903 0.000 0.247) 0.936 11.571 ( 1.584 0.000 5.024) 5.267 11.639 ( -0.268 0.000 -1.498) 1.522 11.835 ( -0.871 0.000 -6.451) 6.509 11.885 ( 0.125 0.000 -3.955) 3.957 11.943 ( -7.312 0.000 4.902) 8.803 12.006 ( -8.820 0.000 -11.281) 14.320 12.119 ( 4.507 0.000 -2.487) 5.147 12.166 ( -5.935 0.000 -25.702) 26.378 12.221 ( 5.894 0.000 -5.899) 8.339 12.502 ( 0.297 0.000 0.933) 0.979 12.570 ( -1.438 0.000 1.186) 1.864 12.760 ( -1.731 0.000 -1.473) 2.273 12.866 ( 0.245 0.000 3.346) 3.355 13.068 ( 4.205 0.000 13.704) 14.335 13.108 ( 1.542 0.000 5.074) 5.303 13.459 ( 4.866 0.000 -6.485) 8.108 13.502 ( 3.054 0.000 -10.922) 11.341 13.655 ( 13.859 0.000 10.531) 17.406 13.922 ( 2.814 0.000 -1.811) 3.346 14.061 ( -1.756 0.000 14.157) 14.265 14.270 ( 1.613 0.000 -3.023) 3.426 14.695 ( -8.192 0.000 3.914) 9.079 14.837 ( -3.384 0.000 0.547) 3.428 15.986 ( 0.122 0.000 2.438) 2.441 16.020 ( 1.046 0.000 -2.506) 2.716 16.236 ( -2.323 0.000 1.469) 2.748 16.257 ( -2.228 0.000 -0.497) 2.283 16.473 ( -2.233 0.000 1.531) 2.707 16.574 ( 0.452 0.000 -1.426) 1.496 16.644 ( -1.445 0.000 1.045) 1.783 16.702 ( -0.643 0.000 -0.538) 0.838 17.208 ( -0.771 0.000 2.151) 2.285 17.353 ( 1.235 0.000 3.000) 3.244 17.404 ( 3.778 0.000 0.169) 3.782 17.485 ( 2.663 0.000 3.882) 4.707 19.150 ( -11.181 0.000 0.317) 11.186 19.315 ( -11.810 0.000 0.779) 11.835 19.440 ( -18.572 0.000 -1.204) 18.611 19.727 ( -17.350 0.000 -15.820) 23.479 20.406 ( 3.779 0.000 0.706) 3.844 20.570 ( 5.555 0.000 -3.435) 6.531 20.826 ( 5.278 0.000 0.502) 5.302 20.910 ( 9.475 0.000 6.444) 11.458 21.968 ( -0.742 0.000 0.570) 0.936 22.158 ( 3.345 0.000 0.518) 3.385 22.351 ( -0.576 0.000 -2.575) 2.639 22.532 ( 4.046 0.000 5.884) 7.141 22.542 ( -0.314 0.000 0.739) 0.803 22.563 ( -0.051 0.000 0.351) 0.355 22.713 ( 2.153 0.000 -1.493) 2.620 22.811 ( 4.448 0.000 -2.591) 5.148 27.304 ( -1.222 0.000 2.158) 2.480 27.345 ( -0.182 0.000 -1.013) 1.029 27.447 ( 1.569 0.000 1.611) 2.249 27.453 ( 2.005 0.000 -1.833) 2.717 28.764 ( -1.460 0.000 4.356) 4.594 28.840 ( 0.657 0.000 -3.207) 3.273 29.082 ( 5.653 0.000 10.904) 12.282 29.227 ( 7.586 0.000 -7.444) 10.628 30.297 ( -1.514 0.000 -2.116) 2.602 30.309 ( -1.867 0.000 1.654) 2.495 30.659 ( -10.384 0.000 6.416) 12.206 30.749 ( -10.190 0.000 -12.709) 16.290 30.852 ( -5.580 0.000 2.042) 5.942 30.989 ( 1.244 0.000 -6.384) 6.504 31.630 ( 4.554 0.000 2.485) 5.187 31.752 ( 10.655 0.000 7.425) 12.987 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -17.258 0.000 20.509) 26.804 1.027 ( -29.787 0.000 15.912) 33.771 1.761 ( -11.389 0.000 -11.610) 16.264 1.918 ( -14.594 0.000 9.131) 17.215 2.022 ( -11.388 0.000 -6.167) 12.950 2.123 ( -14.698 0.000 20.483) 25.211 2.128 ( -3.668 0.000 14.010) 14.482 2.397 ( -12.914 0.000 1.635) 13.017 2.428 ( -4.695 0.000 7.170) 8.570 2.490 ( -2.738 0.000 5.571) 6.207 2.578 ( 0.989 0.000 7.260) 7.327 2.588 ( -0.532 0.000 8.161) 8.179 2.596 ( 2.521 0.000 -9.452) 9.782 2.777 ( -2.575 0.000 9.423) 9.769 2.984 ( 1.714 0.000 -1.325) 2.166 3.016 ( 0.825 0.000 6.688) 6.739 3.072 ( 5.039 0.000 5.269) 7.290 3.172 ( -0.531 0.000 -5.103) 5.130 3.200 ( -2.756 0.000 -0.958) 2.918 3.253 ( 1.597 0.000 8.734) 8.878 3.255 ( 1.951 0.000 -4.891) 5.266 3.401 ( 0.996 0.000 -6.840) 6.912 3.522 ( 2.683 0.000 -2.590) 3.729 3.532 ( 1.827 0.000 -3.525) 3.970 3.597 ( -4.108 0.000 -3.983) 5.721 3.690 ( 4.976 0.000 -2.667) 5.645 3.850 ( 1.670 0.000 -2.980) 3.416 3.911 ( 4.985 0.000 -3.595) 6.146 4.037 ( 1.137 0.000 7.868) 7.950 4.069 ( -3.583 0.000 -3.385) 4.929 4.118 ( -2.344 0.000 5.368) 5.858 4.328 ( -3.845 0.000 0.420) 3.868 4.360 ( -6.050 0.000 -0.310) 6.057 4.520 ( -2.050 0.000 0.803) 2.202 4.541 ( 6.817 0.000 -4.594) 8.221 4.753 ( 4.647 0.000 0.952) 4.743 4.759 ( 3.138 0.000 -3.756) 4.895 4.893 ( -4.169 0.000 -3.348) 5.347 4.958 ( 9.091 0.000 -4.032) 9.945 4.981 ( -0.342 0.000 -6.130) 6.139 5.027 ( -1.889 0.000 1.554) 2.446 5.044 ( 4.101 0.000 -3.039) 5.104 5.128 ( -5.814 0.000 1.412) 5.983 5.205 ( -0.616 0.000 0.979) 1.157 5.235 ( 4.369 0.000 1.550) 4.636 5.354 ( 4.930 0.000 2.971) 5.756 5.426 ( 4.222 0.000 -0.242) 4.229 5.452 ( -7.871 0.000 0.847) 7.917 5.535 ( 9.700 0.000 -4.661) 10.762 5.539 ( 0.433 0.000 -4.194) 4.216 5.562 ( 3.787 0.000 7.782) 8.655 5.662 ( 0.210 0.000 -1.163) 1.182 5.779 ( -5.901 0.000 -1.850) 6.185 5.795 ( 0.227 0.000 -0.571) 0.615 5.927 ( -3.739 0.000 -0.020) 3.739 6.062 ( -6.154 0.000 -6.739) 9.126 6.139 ( -1.376 0.000 -2.291) 2.673 6.173 ( -0.286 0.000 0.304) 0.417 6.216 ( 4.003 0.000 -5.425) 6.742 6.269 ( 1.395 0.000 -5.376) 5.555 6.710 ( -1.654 0.000 4.508) 4.801 6.711 ( 0.470 0.000 2.017) 2.071 6.776 ( 1.379 0.000 4.607) 4.809 6.933 ( -4.014 0.000 -4.016) 5.678 7.081 ( -1.204 0.000 0.671) 1.378 7.096 ( 3.253 0.000 -1.683) 3.663 7.120 ( 2.366 0.000 -5.244) 5.753 7.219 ( 0.620 0.000 1.926) 2.024 7.336 ( 1.692 0.000 -2.473) 2.997 7.336 ( -3.379 0.000 1.565) 3.723 7.413 ( 1.978 0.000 3.005) 3.598 7.695 ( -3.723 0.000 1.596) 4.051 7.728 ( 5.540 0.000 -2.344) 6.015 7.965 ( -1.308 0.000 -2.969) 3.245 7.991 ( 3.358 0.000 1.250) 3.583 8.075 ( 1.013 0.000 2.947) 3.117 8.135 ( -2.532 0.000 -0.997) 2.721 8.176 ( 8.058 0.000 0.754) 8.093 8.420 ( 3.249 0.000 5.615) 6.487 8.444 ( 5.297 0.000 -1.675) 5.556 8.586 ( 5.381 0.000 1.135) 5.500 8.636 ( 2.858 0.000 0.644) 2.929 8.764 ( 1.744 0.000 2.234) 2.834 8.823 ( 0.073 0.000 -1.993) 1.995 9.702 ( -1.251 0.000 0.406) 1.315 9.791 ( 4.372 0.000 -1.623) 4.664 9.830 ( -0.848 0.000 -1.634) 1.841 9.978 ( -2.571 0.000 -0.316) 2.591 10.250 ( 2.006 0.000 -6.882) 7.168 10.261 ( -2.488 0.000 7.101) 7.524 10.409 ( 4.203 0.000 -7.314) 8.436 10.465 ( -5.547 0.000 8.137) 9.848 10.692 ( 3.011 0.000 -4.574) 5.476 10.696 ( -4.785 0.000 -3.876) 6.158 10.788 ( -6.900 0.000 -1.824) 7.137 10.813 ( -13.463 0.000 7.973) 15.647 11.205 ( -0.649 0.000 -0.084) 0.655 11.347 ( 1.465 0.000 -3.024) 3.360 11.371 ( 3.829 0.000 4.023) 5.554 11.409 ( -17.912 0.000 -11.141) 21.094 11.487 ( -1.261 0.000 -2.662) 2.946 11.526 ( -0.881 0.000 1.720) 1.933 11.604 ( 0.373 0.000 -3.388) 3.409 11.639 ( -0.578 0.000 4.467) 4.504 11.798 ( 0.270 0.000 -8.009) 8.014 11.835 ( -1.998 0.000 -1.171) 2.316 11.924 ( -0.862 0.000 6.540) 6.596 12.041 ( -0.465 0.000 -1.092) 1.187 12.181 ( 5.705 0.000 -5.125) 7.669 12.259 ( 3.756 0.000 -3.271) 4.981 12.529 ( 1.480 0.000 -0.203) 1.494 12.546 ( -4.164 0.000 2.772) 5.002 12.752 ( 0.672 0.000 2.346) 2.441 12.932 ( 2.665 0.000 4.256) 5.021 13.195 ( 4.892 0.000 2.103) 5.325 13.243 ( 3.027 0.000 11.005) 11.414 13.438 ( -0.892 0.000 -4.229) 4.322 13.482 ( 2.499 0.000 -4.530) 5.174 13.896 ( 0.082 0.000 -5.240) 5.240 14.044 ( 12.918 0.000 -2.120) 13.091 14.185 ( -3.358 0.000 18.718) 19.017 14.282 ( 5.146 0.000 0.470) 5.167 14.575 ( -6.993 0.000 1.029) 7.068 14.860 ( 9.449 0.000 -3.550) 10.094 16.013 ( 0.261 0.000 2.673) 2.686 16.031 ( 2.444 0.000 -1.870) 3.077 16.167 ( -6.505 0.000 -0.404) 6.518 16.208 ( -2.406 0.000 -0.764) 2.524 16.449 ( -1.789 0.000 1.551) 2.368 16.555 ( -0.113 0.000 -2.657) 2.659 16.623 ( -1.673 0.000 0.449) 1.732 16.674 ( -1.283 0.000 -1.674) 2.109 17.256 ( 2.060 0.000 5.118) 5.517 17.460 ( 1.939 0.000 0.326) 1.966 17.462 ( 7.785 0.000 3.844) 8.683 17.555 ( 0.737 0.000 3.518) 3.594 19.014 ( -3.468 0.000 0.484) 3.502 19.099 ( -12.553 0.000 -2.846) 12.872 19.127 ( -14.181 0.000 -1.247) 14.235 19.239 ( -19.809 0.000 -5.772) 20.633 20.463 ( 1.660 0.000 1.107) 1.996 20.605 ( 2.493 0.000 -4.329) 4.996 20.933 ( 4.972 0.000 2.226) 5.447 21.102 ( 6.649 0.000 0.745) 6.691 21.979 ( 0.538 0.000 2.150) 2.217 22.190 ( 0.531 0.000 -1.852) 1.927 22.360 ( 2.700 0.000 1.094) 2.913 22.541 ( -0.417 0.000 0.579) 0.713 22.554 ( -0.076 0.000 -0.278) 0.289 22.662 ( 3.432 0.000 3.677) 5.030 22.742 ( 2.280 0.000 -1.053) 2.511 22.798 ( -1.826 0.000 -6.313) 6.572 27.301 ( -1.267 0.000 2.040) 2.402 27.339 ( 0.367 0.000 -0.679) 0.771 27.459 ( -1.497 0.000 -0.116) 1.501 27.474 ( 2.078 0.000 -1.754) 2.720 28.770 ( -2.053 0.000 3.804) 4.322 28.834 ( 1.593 0.000 -2.419) 2.896 29.247 ( 0.523 0.000 2.516) 2.570 29.299 ( 8.280 0.000 -8.474) 11.848 30.259 ( -0.699 0.000 -1.639) 1.782 30.280 ( -2.379 0.000 0.800) 2.510 30.386 ( -9.724 0.000 -5.071) 10.967 30.505 ( -12.116 0.000 5.041) 13.123 30.839 ( -3.864 0.000 6.192) 7.299 30.978 ( 3.643 0.000 -5.749) 6.806 31.748 ( 4.280 0.000 5.237) 6.763 32.046 ( 14.170 0.000 1.064) 14.210 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -2.697 17.221 15.161) 23.101 1.431 ( -0.268 30.734 17.405) 35.321 1.565 ( 2.582 5.601 -13.921) 15.226 1.787 ( -1.562 -8.128 -0.800) 8.315 1.856 ( -3.635 -4.680 -3.424) 6.844 2.040 ( 0.663 8.395 -8.291) 11.818 2.206 ( -2.949 -1.723 20.035) 20.324 2.333 ( -7.646 5.179 29.485) 30.898 2.453 ( -3.104 2.988 -1.914) 4.714 2.482 ( 1.114 0.629 0.942) 1.588 2.559 ( 1.611 -4.557 1.251) 4.992 2.668 ( -2.235 2.904 9.750) 10.416 2.812 ( -0.774 6.737 2.578) 7.255 2.852 ( -0.529 -0.003 7.820) 7.838 2.968 ( -1.809 -8.050 2.146) 8.525 3.036 ( 2.966 0.402 2.952) 4.205 3.140 ( 5.746 0.757 3.302) 6.670 3.163 ( -3.019 5.448 -1.631) 6.439 3.234 ( 2.802 2.204 1.097) 3.730 3.290 ( -1.822 -5.697 -0.053) 5.981 3.340 ( 6.669 -1.744 -0.104) 6.894 3.404 ( 2.110 -0.817 1.804) 2.894 3.466 ( 1.291 -2.630 -7.080) 7.662 3.530 ( 1.528 0.635 -4.913) 5.184 3.562 ( -0.040 -0.926 1.160) 1.485 3.664 ( 6.422 -9.948 0.435) 11.849 3.749 ( -0.826 -9.568 0.704) 9.629 3.865 ( -3.311 -3.679 -5.869) 7.677 4.020 ( 2.192 -0.771 2.713) 3.572 4.101 ( -2.459 4.628 0.296) 5.249 4.123 ( 3.303 2.918 -1.491) 4.652 4.204 ( -4.857 2.159 -2.876) 6.043 4.308 ( 0.091 -1.782 5.493) 5.776 4.472 ( 3.114 -8.271 2.000) 9.062 4.613 ( -3.267 -0.320 -6.789) 7.541 4.665 ( 2.463 -5.837 -2.826) 6.937 4.768 ( -3.051 -1.273 -1.184) 3.512 4.786 ( 0.702 -1.733 -0.855) 2.056 4.892 ( -5.799 0.783 -2.064) 6.205 4.940 ( 2.842 0.093 -3.254) 4.321 4.962 ( 0.558 -3.838 0.272) 3.887 5.134 ( 1.649 -7.066 1.842) 7.486 5.171 ( 5.258 4.362 -5.067) 8.506 5.236 ( -4.905 1.353 1.709) 5.368 5.278 ( 1.935 1.548 2.106) 3.253 5.335 ( 1.473 1.198 -4.316) 4.715 5.431 ( -3.955 3.903 -0.702) 5.600 5.525 ( 0.849 0.245 -2.755) 2.894 5.554 ( 0.599 -1.239 -4.042) 4.270 5.579 ( 2.578 1.626 -1.385) 3.348 5.634 ( 0.122 4.457 -0.408) 4.477 5.694 ( 0.411 1.894 -0.219) 1.950 5.747 ( -3.753 3.745 -1.359) 5.473 5.797 ( -3.377 2.897 -0.852) 4.530 5.879 ( 4.844 -2.147 0.826) 5.363 6.013 ( -1.123 -4.314 -7.533) 8.753 6.071 ( 2.116 1.279 1.626) 2.959 6.099 ( -0.591 0.007 -0.184) 0.619 6.251 ( 0.580 0.563 -3.755) 3.841 6.302 ( 3.427 1.242 -5.314) 6.444 6.715 ( 0.066 0.002 2.159) 2.160 6.775 ( 1.230 -1.111 0.934) 1.902 6.866 ( 0.235 2.944 2.654) 3.971 6.892 ( 2.133 1.641 3.187) 4.171 7.060 ( -1.232 0.175 0.140) 1.252 7.101 ( -0.802 -0.988 -1.646) 2.081 7.159 ( 3.718 -0.581 -2.952) 4.783 7.199 ( -1.479 -3.901 -0.494) 4.201 7.246 ( -1.401 2.143 -1.682) 3.063 7.328 ( -2.225 -0.337 -2.412) 3.299 7.545 ( -0.455 6.357 2.306) 6.778 7.625 ( -4.952 -2.128 1.630) 5.631 7.701 ( 2.220 -0.305 5.366) 5.815 7.858 ( 0.960 -3.522 -3.665) 5.173 7.981 ( -5.392 2.140 -2.660) 6.382 8.075 ( -3.317 1.558 -5.649) 6.734 8.181 ( 1.633 0.862 5.193) 5.511 8.281 ( 2.140 -1.868 2.112) 3.540 8.448 ( -0.762 -2.356 1.609) 2.953 8.462 ( 1.574 -2.441 0.300) 2.920 8.733 ( 0.727 4.868 0.846) 4.994 8.759 ( 0.808 4.736 -2.967) 5.647 8.804 ( -0.745 1.718 1.354) 2.311 8.842 ( 4.470 0.095 -0.280) 4.480 9.735 ( 1.730 0.878 -0.390) 1.979 9.787 ( -0.592 -1.883 -3.095) 3.671 9.899 ( 4.890 2.223 1.954) 5.716 9.968 ( 0.364 1.885 0.832) 2.092 10.148 ( -9.520 0.283 4.233) 10.422 10.202 ( -12.515 1.454 -3.395) 13.048 10.321 ( -3.740 0.764 5.800) 6.944 10.359 ( -8.919 -2.056 9.071) 12.887 10.567 ( -2.313 0.318 -3.918) 4.561 10.606 ( -0.792 -0.539 -2.160) 2.363 10.766 ( 1.242 1.050 -0.133) 1.632 10.898 ( 15.751 -4.237 -3.755) 16.737 11.062 ( 0.228 -5.020 -0.864) 5.099 11.240 ( -1.581 -5.136 -9.969) 11.325 11.298 ( 1.925 -2.798 -0.189) 3.401 11.327 ( 0.787 -3.618 -0.294) 3.714 11.472 ( -1.136 -0.708 2.420) 2.765 11.512 ( 6.215 -1.783 3.727) 7.463 11.612 ( -0.423 0.588 -3.702) 3.772 11.672 ( -1.968 -1.192 -1.943) 3.012 11.833 ( 2.284 6.710 -0.623) 7.116 11.867 ( 0.476 7.128 -0.610) 7.170 12.007 ( 2.275 -1.612 5.745) 6.386 12.077 ( 0.229 3.084 0.375) 3.115 12.221 ( 3.833 -0.668 -4.136) 5.679 12.265 ( -2.152 -6.992 -2.477) 7.723 12.453 ( 2.199 4.583 -2.842) 5.824 12.602 ( 0.127 1.434 -5.060) 5.261 12.842 ( 0.476 3.004 5.992) 6.719 12.996 ( 1.050 -1.596 2.839) 3.422 13.271 ( 3.812 -3.113 -3.935) 6.302 13.335 ( 4.063 -2.182 4.374) 6.357 13.421 ( 0.318 -1.461 2.592) 2.992 13.431 ( 2.322 0.322 1.523) 2.795 13.871 ( -0.956 1.583 -4.391) 4.765 13.975 ( -4.559 -2.341 -7.880) 9.400 14.285 ( -5.941 5.092 11.517) 13.923 14.466 ( -3.454 -2.530 0.826) 4.361 14.500 ( 1.556 6.754 5.509) 8.853 14.878 ( 5.420 -9.817 -7.019) 13.230 16.012 ( -2.688 1.063 2.294) 3.690 16.062 ( 1.301 -0.641 2.032) 2.496 16.117 ( 1.084 1.930 -1.668) 2.771 16.159 ( -1.030 -0.466 -1.202) 1.650 16.471 ( -0.874 2.194 0.231) 2.373 16.528 ( -0.185 -0.648 -1.888) 2.005 16.611 ( -1.088 1.045 -0.151) 1.516 16.641 ( -0.178 -0.257 -1.406) 1.440 17.354 ( 0.569 1.995 5.708) 6.074 17.460 ( -1.107 -0.756 0.730) 1.526 17.542 ( -0.526 -1.912 2.518) 3.205 17.564 ( -1.726 -2.234 1.969) 3.442 18.957 ( -0.169 0.879 -0.291) 0.941 18.981 ( 1.417 1.560 -1.619) 2.658 19.029 ( -2.672 -0.631 0.728) 2.840 19.052 ( 4.394 -0.060 -0.370) 4.410 20.505 ( -0.704 1.976 1.692) 2.695 20.586 ( -0.312 -0.659 -1.941) 2.073 21.021 ( 1.205 -0.101 2.218) 2.526 21.081 ( -1.494 -2.653 -0.810) 3.151 22.038 ( 0.609 2.056 2.465) 3.267 22.139 ( -1.083 -1.669 -2.149) 2.929 22.444 ( 2.312 -0.135 2.692) 3.551 22.485 ( -1.888 -2.325 1.427) 3.318 22.592 ( 0.677 2.714 0.445) 2.833 22.676 ( -4.589 4.244 -4.094) 7.472 22.718 ( 0.286 -2.628 -0.498) 2.690 22.775 ( 1.334 -0.345 -3.286) 3.563 27.299 ( -1.195 0.308 1.985) 2.337 27.327 ( -0.656 -1.127 1.460) 1.958 27.432 ( -1.824 1.780 0.048) 2.549 27.485 ( 1.259 -0.711 -1.484) 2.072 28.771 ( -2.775 1.463 3.592) 4.769 28.843 ( -0.174 -1.079 1.829) 2.131 29.151 ( -9.033 4.707 -1.219) 10.258 29.333 ( 4.399 -2.833 -7.587) 9.216 30.260 ( -1.881 1.389 0.509) 2.393 30.299 ( 2.856 2.858 -0.970) 4.156 30.336 ( -6.250 -1.415 2.030) 6.723 30.430 ( 12.630 -2.312 -2.098) 13.010 30.823 ( -3.410 1.259 4.155) 5.521 30.963 ( 3.204 -4.152 -2.807) 5.949 31.866 ( 0.155 2.524 6.780) 7.236 32.088 ( 0.317 -4.926 -4.089) 6.410 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 15.772 7.640 11.847) 21.154 1.654 ( 16.306 8.726 -6.784) 19.699 1.695 ( 11.978 18.167 10.062) 23.974 1.783 ( 3.863 -7.216 0.076) 8.186 1.938 ( 12.660 9.879 -2.818) 16.304 2.010 ( 7.925 7.634 -7.427) 13.276 2.325 ( -0.989 -2.815 6.602) 7.245 2.399 ( -3.836 0.907 13.158) 13.736 2.494 ( -1.033 5.714 18.269) 19.170 2.569 ( 6.584 -3.757 0.650) 7.608 2.603 ( 4.954 -4.215 -4.290) 7.792 2.691 ( -4.872 1.492 7.000) 8.658 2.802 ( -0.077 2.655 2.313) 3.523 2.938 ( 1.698 0.433 4.944) 5.245 2.983 ( -2.130 -0.689 4.784) 5.281 3.013 ( -4.695 -3.863 -2.232) 6.476 3.148 ( 0.412 -4.449 -4.247) 6.164 3.207 ( 3.251 0.733 2.501) 4.166 3.229 ( -1.574 2.183 0.594) 2.756 3.296 ( 0.423 1.543 -0.027) 1.601 3.375 ( -3.770 -4.799 -2.003) 6.422 3.430 ( -1.069 1.475 -4.440) 4.799 3.509 ( 5.731 -2.449 1.857) 6.503 3.528 ( 6.032 4.279 -5.247) 9.068 3.552 ( 0.518 -0.929 -3.463) 3.622 3.708 ( 1.326 -8.923 -1.752) 9.190 3.784 ( 1.818 -5.754 1.383) 6.190 3.854 ( 6.015 -3.508 -3.977) 8.018 3.947 ( -6.702 4.100 -0.129) 7.858 4.084 ( 0.839 -1.741 -3.243) 3.776 4.142 ( 3.377 2.662 1.429) 4.531 4.250 ( 4.574 3.336 3.313) 6.560 4.383 ( -1.797 -3.180 6.323) 7.302 4.459 ( -3.153 1.940 -3.882) 5.364 4.544 ( 0.438 -9.545 0.329) 9.560 4.674 ( 3.393 -6.095 -5.601) 8.946 4.714 ( -3.506 -0.701 1.196) 3.770 4.762 ( 0.389 -1.286 -0.055) 1.345 4.823 ( -2.903 0.442 2.390) 3.786 4.929 ( -2.102 -5.331 -1.103) 5.836 5.033 ( -0.691 3.563 -6.512) 7.455 5.061 ( 4.436 2.005 -2.499) 5.472 5.137 ( -2.976 -4.090 1.577) 5.299 5.262 ( -1.632 2.330 1.143) 3.066 5.309 ( 0.563 0.676 -4.568) 4.652 5.348 ( -1.420 2.830 0.187) 3.172 5.408 ( 2.922 1.445 2.180) 3.921 5.453 ( -4.467 0.672 -1.794) 4.860 5.475 ( -0.137 -1.320 -2.744) 3.048 5.569 ( -5.360 2.058 0.039) 5.742 5.623 ( 1.340 0.876 -1.041) 1.909 5.670 ( -3.682 1.176 -1.059) 4.008 5.695 ( -0.454 -0.310 0.666) 0.864 5.815 ( 3.256 3.026 -0.503) 4.473 5.937 ( 1.910 -0.441 -4.581) 4.982 5.993 ( 4.065 -2.623 -0.115) 4.839 6.071 ( -1.532 2.936 -0.667) 3.378 6.136 ( 1.513 0.208 2.118) 2.611 6.236 ( 1.922 -0.353 -4.069) 4.514 6.307 ( 2.543 -0.135 -5.837) 6.368 6.738 ( 1.104 1.066 0.858) 1.758 6.819 ( 4.101 -1.126 -0.714) 4.313 6.872 ( -1.579 3.686 2.037) 4.498 6.956 ( 1.215 1.267 1.621) 2.390 7.022 ( -3.200 -0.393 -1.079) 3.400 7.058 ( -3.389 -4.242 0.860) 5.497 7.091 ( -4.919 0.466 -3.737) 6.195 7.176 ( -0.088 -2.307 0.658) 2.401 7.289 ( 4.574 0.254 0.072) 4.581 7.334 ( 3.741 -0.189 1.653) 4.094 7.503 ( -8.210 3.963 3.182) 9.656 7.556 ( -0.998 4.008 2.565) 4.862 7.748 ( -4.786 -0.868 -2.627) 5.528 7.805 ( 1.532 -2.900 0.996) 3.428 7.943 ( 1.210 1.785 2.761) 3.503 8.077 ( 4.045 -2.631 -1.190) 4.969 8.202 ( -3.351 1.179 2.940) 4.611 8.270 ( -3.713 -0.935 -1.346) 4.058 8.397 ( -5.052 -1.825 -0.557) 5.400 8.461 ( -2.092 -2.507 1.254) 3.498 8.691 ( -5.913 6.044 0.557) 8.474 8.697 ( -3.525 5.510 -2.081) 6.864 8.790 ( -1.578 1.361 -0.113) 2.087 8.865 ( -1.413 -1.064 -2.091) 2.739 9.756 ( 0.584 -2.088 -2.777) 3.523 9.786 ( 3.030 -1.905 -0.357) 3.597 9.929 ( -2.698 4.261 -2.082) 5.457 9.984 ( 2.525 1.939 0.726) 3.265 10.054 ( -3.224 2.371 3.872) 5.568 10.060 ( -5.668 -0.166 6.903) 8.933 10.287 ( -7.263 -0.373 10.460) 12.739 10.337 ( -2.896 -1.124 7.318) 7.950 10.512 ( -1.166 2.275 -3.163) 4.066 10.639 ( 5.858 -1.653 -1.721) 6.325 10.812 ( 2.885 1.366 -0.424) 3.220 11.077 ( 0.868 -9.258 4.276) 10.235 11.127 ( 12.494 -3.528 -9.623) 16.160 11.221 ( 5.404 -2.108 -4.009) 7.051 11.323 ( 5.991 -7.312 -3.040) 9.930 11.360 ( 0.996 -3.744 -0.099) 3.876 11.492 ( 0.699 3.662 0.378) 3.748 11.573 ( -1.972 -0.852 -5.233) 5.657 11.597 ( 1.899 0.096 -1.982) 2.746 11.666 ( 5.531 -0.658 2.994) 6.323 11.864 ( 0.752 7.272 -0.784) 7.353 11.907 ( 5.047 5.940 -0.641) 7.821 12.076 ( -0.105 1.547 2.750) 3.157 12.094 ( 0.169 1.578 2.757) 3.181 12.163 ( -3.550 -4.566 -3.774) 6.906 12.253 ( 3.069 -3.433 -3.075) 5.537 12.444 ( -0.008 4.849 -5.302) 7.185 12.595 ( 3.583 -0.920 -2.754) 4.611 12.891 ( -0.069 1.690 3.874) 4.227 13.015 ( -0.280 -1.297 0.108) 1.331 13.250 ( -0.163 -3.453 -6.495) 7.358 13.326 ( -0.211 -3.390 -7.782) 8.491 13.519 ( 3.231 1.603 9.163) 9.847 13.534 ( 3.338 1.087 4.589) 5.778 13.796 ( -6.587 -0.209 -4.409) 7.929 13.815 ( -3.024 -1.327 -5.987) 6.838 14.242 ( -8.090 6.638 7.671) 12.975 14.444 ( -0.813 -3.006 4.078) 5.131 14.565 ( 0.130 3.693 6.146) 7.171 14.806 ( -4.209 -6.628 -8.446) 11.532 15.988 ( -1.416 2.419 1.378) 3.123 16.090 ( 0.081 -1.920 0.358) 1.955 16.153 ( 2.511 1.185 0.021) 2.777 16.170 ( 3.571 0.527 -0.449) 3.637 16.469 ( -0.325 1.287 1.497) 2.001 16.513 ( 0.261 -0.473 -1.124) 1.247 16.603 ( 0.105 0.900 0.743) 1.172 16.641 ( 0.951 -0.590 -0.546) 1.245 17.374 ( -3.956 1.461 5.326) 6.793 17.402 ( -4.017 0.544 -0.909) 4.154 17.493 ( -4.929 -0.666 1.071) 5.088 17.551 ( -3.488 -2.947 3.763) 5.917 18.994 ( 7.507 0.065 0.291) 7.512 19.035 ( 5.661 -0.428 -0.407) 5.691 19.188 ( 17.391 0.259 -3.296) 17.703 19.236 ( 14.535 -0.251 -2.030) 14.678 20.489 ( -3.075 1.740 2.209) 4.167 20.546 ( -2.471 0.230 -1.475) 2.887 20.967 ( -7.971 0.321 0.673) 8.006 21.040 ( -2.964 -1.409 0.778) 3.373 22.064 ( -0.580 0.504 2.214) 2.343 22.091 ( -1.614 -0.251 -1.683) 2.345 22.439 ( -3.457 0.562 -0.046) 3.502 22.510 ( 1.840 -2.414 1.948) 3.606 22.582 ( -2.113 3.204 -0.538) 3.876 22.625 ( 0.922 3.249 1.700) 3.781 22.703 ( -1.536 -2.373 -0.504) 2.871 22.751 ( -0.973 -1.344 -2.478) 2.983 27.296 ( -1.032 0.425 1.935) 2.234 27.329 ( -0.956 -1.263 2.089) 2.621 27.409 ( -0.936 2.441 0.314) 2.633 27.488 ( 0.301 -1.154 -1.224) 1.709 28.748 ( -3.212 2.050 3.423) 5.122 28.848 ( -1.732 -2.206 3.112) 4.190 29.025 ( -5.038 6.280 1.859) 8.263 29.311 ( -0.889 -5.608 -4.288) 7.116 30.241 ( -0.245 0.807 0.077) 0.847 30.288 ( -0.236 -1.054 0.734) 1.305 30.396 ( 8.444 5.965 -1.326) 10.423 30.675 ( 16.480 -5.756 -5.543) 18.316 30.800 ( -2.987 2.686 3.677) 5.445 31.002 ( 3.929 -5.075 -2.926) 7.054 31.872 ( -5.783 1.148 5.298) 7.927 31.978 ( -6.768 -0.828 -4.167) 7.991 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 13.049 3.305 9.161) 16.283 1.827 ( 13.353 6.983 -12.747) 19.736 1.966 ( 8.793 2.474 9.124) 12.911 2.014 ( 12.791 4.184 5.713) 14.620 2.080 ( 11.227 11.056 -6.967) 17.229 2.243 ( 10.477 -1.832 3.096) 11.077 2.346 ( 1.232 3.155 6.158) 7.028 2.500 ( 1.337 -5.638 9.989) 11.548 2.575 ( 0.845 -3.156 -4.032) 5.189 2.602 ( -0.769 -1.380 -0.457) 1.645 2.688 ( 7.017 10.669 1.182) 12.825 2.723 ( 5.315 -1.330 0.238) 5.484 2.849 ( -0.807 1.092 4.943) 5.126 2.889 ( -0.320 -4.029 -4.804) 6.278 2.982 ( 0.629 -2.529 -1.138) 2.843 3.004 ( -0.725 -1.462 6.624) 6.822 3.143 ( -6.358 -2.311 -1.474) 6.924 3.156 ( 2.828 -1.065 -0.373) 3.045 3.200 ( -5.455 -0.470 -1.846) 5.778 3.234 ( -4.200 1.271 -1.248) 4.562 3.377 ( 1.770 4.000 -1.192) 4.534 3.413 ( 5.675 -2.703 -1.544) 6.473 3.537 ( 1.793 -0.060 -0.724) 1.934 3.568 ( 3.714 0.116 -3.102) 4.840 3.630 ( 5.433 0.727 -0.244) 5.487 3.717 ( -5.121 -0.533 -0.597) 5.184 3.807 ( 10.552 0.068 -9.433) 14.154 3.880 ( 0.038 3.536 -0.648) 3.595 3.974 ( 7.849 -3.036 1.549) 8.557 4.105 ( 3.610 -3.275 -2.808) 5.625 4.196 ( -1.803 0.469 2.774) 3.341 4.293 ( -6.825 1.041 4.876) 8.452 4.337 ( -2.365 -2.175 2.747) 4.227 4.455 ( 0.262 3.987 0.576) 4.037 4.501 ( -0.826 -8.339 -1.294) 8.479 4.681 ( -0.956 0.795 0.895) 1.532 4.684 ( 4.077 -3.899 -6.864) 8.885 4.797 ( 0.706 -2.516 1.333) 2.934 4.827 ( -1.197 -0.413 3.989) 4.185 4.861 ( -2.853 1.660 -5.983) 6.833 4.970 ( 2.842 -0.322 -0.266) 2.872 5.079 ( -4.024 1.046 2.197) 4.702 5.131 ( -1.537 2.366 -1.779) 3.336 5.201 ( -3.918 -7.091 -5.257) 9.657 5.281 ( -1.596 4.410 -0.058) 4.690 5.297 ( 1.711 0.844 1.193) 2.250 5.366 ( -5.583 1.452 -0.226) 5.773 5.438 ( -4.655 0.262 -2.039) 5.089 5.482 ( -1.798 -1.024 3.526) 4.088 5.503 ( 3.046 0.961 0.717) 3.274 5.595 ( -1.280 -1.635 -1.505) 2.564 5.645 ( 1.875 2.028 0.378) 2.787 5.779 ( 5.295 0.333 2.175) 5.734 5.837 ( -0.494 1.080 1.546) 1.950 5.966 ( 1.984 2.991 -1.527) 3.901 5.991 ( -2.248 -1.550 -0.940) 2.887 6.064 ( 0.926 1.553 2.251) 2.888 6.159 ( -0.214 -1.893 1.355) 2.338 6.241 ( 2.849 -1.032 -4.625) 5.530 6.282 ( 1.460 0.285 -7.482) 7.629 6.748 ( -2.068 2.537 0.390) 3.296 6.868 ( 1.097 2.296 -1.797) 3.115 6.902 ( 4.094 -1.981 1.439) 4.770 6.917 ( -2.357 -0.648 -1.297) 2.767 6.989 ( 0.670 -1.592 0.754) 1.884 7.005 ( -2.335 2.435 -0.818) 3.471 7.041 ( -1.757 -3.314 4.601) 5.936 7.189 ( 1.099 -4.818 -0.224) 4.946 7.349 ( 0.126 4.014 -1.981) 4.478 7.412 ( -0.158 -1.398 0.798) 1.618 7.458 ( 2.703 4.218 4.341) 6.629 7.555 ( 0.087 2.206 -0.336) 2.233 7.679 ( -0.698 -0.269 1.861) 2.006 7.826 ( 0.466 -7.084 -0.474) 7.115 7.991 ( -2.208 0.430 3.710) 4.338 8.045 ( -7.265 -1.968 -1.965) 7.779 8.153 ( -3.598 1.660 -0.667) 4.018 8.189 ( -1.027 1.494 -1.336) 2.252 8.302 ( -3.902 -0.172 0.276) 3.916 8.399 ( -5.776 -1.980 0.622) 6.137 8.580 ( -6.369 4.687 0.210) 7.911 8.621 ( -2.712 4.907 -1.572) 5.822 8.730 ( -5.650 -1.108 -0.052) 5.757 8.791 ( -2.999 0.405 -2.068) 3.665 9.751 ( 1.088 -1.031 -2.718) 3.104 9.810 ( 1.062 -2.269 -0.655) 2.590 9.929 ( 3.262 2.052 -1.870) 4.283 9.996 ( 0.064 -1.543 1.074) 1.881 10.067 ( -3.102 3.543 8.565) 9.774 10.073 ( 1.172 3.331 2.739) 4.469 10.283 ( -4.037 -1.618 8.064) 9.162 10.336 ( -2.525 -2.414 5.550) 6.558 10.491 ( 0.775 4.739 1.706) 5.096 10.757 ( 6.444 -5.982 0.843) 8.833 10.851 ( 1.959 2.417 1.218) 3.341 11.125 ( 0.368 -6.951 2.894) 7.539 11.227 ( 3.423 -2.690 -0.177) 4.357 11.271 ( 3.205 -3.154 -0.529) 4.527 11.344 ( -2.818 -2.038 -0.838) 3.577 11.419 ( 3.231 -4.930 -2.817) 6.533 11.487 ( 3.738 3.554 -2.011) 5.537 11.560 ( 6.327 -1.884 -4.350) 7.906 11.636 ( 1.702 3.855 -1.615) 4.513 11.751 ( 3.162 -0.433 -2.652) 4.150 11.906 ( 2.142 6.494 2.510) 7.284 11.938 ( -0.107 2.246 -4.122) 4.695 12.042 ( -1.353 -2.179 -1.920) 3.203 12.103 ( -0.147 3.814 1.442) 4.080 12.139 ( 1.754 2.032 -0.716) 2.778 12.297 ( 1.767 -4.349 1.433) 4.908 12.412 ( 4.905 3.949 -8.091) 10.253 12.649 ( 4.706 -2.676 -2.742) 6.069 12.909 ( -0.371 1.200 1.013) 1.613 12.987 ( -0.789 0.803 -4.379) 4.522 13.184 ( -0.560 -4.956 -5.205) 7.209 13.262 ( 1.727 -3.222 -8.353) 9.118 13.551 ( -7.887 1.807 0.353) 8.099 13.600 ( -5.502 -0.324 -8.289) 9.954 13.632 ( -1.159 1.504 9.593) 9.779 13.762 ( 1.226 -1.405 -0.589) 1.956 14.153 ( -6.177 6.194 2.216) 9.023 14.459 ( -3.315 -6.606 0.760) 7.430 14.635 ( 0.648 2.133 4.838) 5.327 14.680 ( -0.581 -0.736 1.284) 1.590 15.982 ( -0.367 2.460 0.578) 2.553 16.085 ( 0.175 -1.726 -1.326) 2.184 16.202 ( 2.132 0.981 0.910) 2.517 16.234 ( 3.055 -0.204 0.452) 3.095 16.483 ( 0.003 1.216 2.354) 2.649 16.519 ( 0.789 0.220 0.005) 0.819 16.626 ( 0.864 0.125 1.829) 2.027 16.657 ( 0.934 -0.833 0.080) 1.254 17.325 ( -2.859 0.479 -1.353) 3.199 17.332 ( -4.728 0.592 3.352) 5.826 17.414 ( -4.314 0.299 0.553) 4.359 17.502 ( -5.336 -2.630 3.251) 6.779 19.179 ( 12.534 0.775 -0.410) 12.565 19.231 ( 13.640 -0.747 2.074) 13.817 19.472 ( 16.540 -0.075 -0.922) 16.566 19.510 ( 18.735 -0.758 -4.151) 19.204 20.436 ( -5.348 1.480 2.771) 6.203 20.476 ( -4.156 1.032 -0.732) 4.344 20.819 ( -9.034 1.783 1.332) 9.305 20.956 ( -6.304 -2.799 -0.613) 6.924 22.031 ( -1.624 0.433 -1.233) 2.084 22.091 ( -0.402 -1.293 2.087) 2.488 22.375 ( -2.967 4.065 -0.682) 5.079 22.538 ( 0.321 -2.694 -0.082) 2.714 22.559 ( -0.576 1.878 0.375) 2.000 22.654 ( -1.472 -1.116 1.799) 2.578 22.672 ( -0.542 0.020 1.248) 1.361 22.700 ( -2.403 -0.591 -1.948) 3.150 27.298 ( -0.748 0.489 1.915) 2.114 27.331 ( -0.991 -1.139 2.319) 2.768 27.401 ( -0.068 1.949 -0.315) 1.975 27.474 ( -0.637 -1.228 -1.097) 1.765 28.726 ( -2.567 2.152 3.621) 4.933 28.839 ( -2.763 -2.817 4.131) 5.712 28.985 ( -1.557 5.398 0.977) 5.703 29.237 ( -3.541 -5.212 -2.604) 6.818 30.250 ( 0.879 0.736 0.569) 1.280 30.319 ( 2.193 -2.735 0.694) 3.574 30.559 ( 10.131 7.639 -0.440) 12.696 30.778 ( -1.504 3.394 2.311) 4.373 30.889 ( 11.057 -6.501 -4.175) 13.489 31.051 ( 5.565 -4.987 -4.397) 8.670 31.763 ( -8.387 1.280 0.472) 8.497 31.821 ( -7.349 0.769 -2.159) 7.698 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -8.549 5.501 10.410) 14.550 1.966 ( 13.294 3.022 -9.445) 16.585 2.081 ( 0.313 6.595 2.804) 7.174 2.145 ( -1.044 -0.897 6.495) 6.639 2.252 ( -0.290 -0.119 -3.597) 3.611 2.285 ( 7.359 1.435 -3.940) 8.470 2.401 ( -4.235 1.247 -2.801) 5.228 2.528 ( -2.228 -3.048 -0.446) 3.802 2.658 ( 5.606 -1.675 6.614) 8.831 2.660 ( 5.784 -7.441 1.738) 9.584 2.759 ( 1.651 8.511 -8.462) 12.115 2.812 ( 4.926 -6.780 -0.534) 8.397 2.870 ( 5.094 -3.763 -4.980) 8.057 2.942 ( 4.830 1.859 4.817) 7.070 3.000 ( -1.559 -4.525 -4.463) 6.544 3.015 ( 1.864 -0.728 0.924) 2.204 3.098 ( 4.738 5.974 3.731) 8.489 3.149 ( 2.485 2.488 3.243) 4.784 3.190 ( 1.233 1.033 0.207) 1.622 3.244 ( 3.537 2.794 1.561) 4.770 3.356 ( -2.542 4.218 -1.682) 5.204 3.464 ( 3.001 -1.827 -1.653) 3.883 3.566 ( -1.146 2.758 -4.140) 5.104 3.612 ( 2.686 -3.261 1.009) 4.344 3.677 ( 0.884 -0.591 4.099) 4.234 3.705 ( 2.384 -2.204 -0.292) 3.260 3.901 ( 5.058 3.637 -1.931) 6.522 3.938 ( 8.842 1.175 -7.125) 11.416 4.017 ( -6.375 -0.390 1.230) 6.505 4.145 ( 2.281 -2.211 -3.119) 4.453 4.196 ( -4.086 0.188 -0.749) 4.158 4.212 ( 3.939 -2.758 3.601) 6.008 4.313 ( -5.815 -1.444 7.318) 9.458 4.374 ( -2.613 0.171 -1.208) 2.883 4.595 ( 4.769 0.406 2.175) 5.257 4.669 ( 1.553 1.327 -2.482) 3.214 4.730 ( 2.817 1.986 -3.309) 4.778 4.768 ( -0.173 4.534 -3.101) 5.496 4.811 ( -0.829 -3.410 1.695) 3.898 4.848 ( 0.329 -0.743 1.839) 2.010 4.959 ( -2.584 -1.470 -0.684) 3.051 5.023 ( -5.155 0.466 0.608) 5.211 5.051 ( -3.602 -0.580 -3.737) 5.223 5.119 ( -0.063 -2.292 -2.340) 3.276 5.246 ( -3.364 1.204 -0.354) 3.590 5.288 ( -3.122 2.746 -1.419) 4.393 5.340 ( 0.964 -2.080 5.342) 5.813 5.364 ( -2.098 3.609 -2.757) 5.003 5.444 ( -0.932 -1.175 -0.206) 1.513 5.572 ( 3.737 1.208 -0.394) 3.947 5.594 ( 0.764 0.420 0.391) 0.955 5.704 ( 4.532 -1.191 -3.870) 6.078 5.800 ( -4.719 0.117 1.930) 5.099 5.829 ( -1.613 2.385 1.426) 3.213 5.964 ( -0.577 -1.129 3.470) 3.695 5.993 ( 0.395 0.295 1.196) 1.294 6.096 ( -2.004 -2.165 1.875) 3.496 6.172 ( -0.659 -1.680 4.034) 4.419 6.276 ( 4.349 0.133 -4.090) 5.972 6.288 ( 7.762 0.049 -2.509) 8.158 6.700 ( -1.623 1.164 -0.719) 2.122 6.830 ( -1.175 -3.272 -2.067) 4.045 6.915 ( -0.799 3.529 -2.182) 4.226 6.942 ( 0.594 -1.084 0.975) 1.574 6.997 ( 0.980 -3.048 1.369) 3.482 7.046 ( 1.151 -0.517 1.682) 2.103 7.064 ( 1.379 0.623 2.344) 2.790 7.222 ( 2.919 -6.268 -0.183) 6.916 7.290 ( -1.624 3.509 -0.234) 3.873 7.398 ( -2.626 -1.844 -1.600) 3.586 7.496 ( -0.098 5.150 -1.257) 5.302 7.599 ( 4.658 2.862 -1.018) 5.560 7.698 ( -3.081 -3.057 1.490) 4.589 7.803 ( -2.498 -6.561 -0.784) 7.064 7.894 ( -4.555 1.129 0.179) 4.696 7.947 ( -2.593 -1.077 0.558) 2.862 8.095 ( -3.033 3.330 1.660) 4.800 8.166 ( -1.164 0.601 -0.506) 1.404 8.272 ( -1.022 0.910 0.357) 1.414 8.301 ( -3.976 0.046 -1.064) 4.116 8.484 ( -3.648 1.063 -0.190) 3.804 8.559 ( -4.458 0.013 -0.660) 4.507 8.635 ( -2.112 3.547 -0.298) 4.139 8.734 ( -2.861 0.466 -0.194) 2.905 9.744 ( 0.988 -0.083 -2.427) 2.621 9.834 ( 1.672 -3.178 0.140) 3.594 9.948 ( 0.082 1.886 -1.674) 2.523 10.018 ( -0.366 -2.498 3.193) 4.070 10.081 ( 0.494 1.601 2.129) 2.709 10.126 ( 0.180 1.915 3.314) 3.832 10.287 ( -0.534 -0.691 4.545) 4.628 10.341 ( -1.973 -1.376 4.129) 4.778 10.596 ( 4.488 4.413 9.432) 11.339 10.847 ( 2.585 -2.743 2.428) 4.483 10.906 ( 1.836 -2.555 0.541) 3.193 11.139 ( -1.661 -3.324 2.948) 4.743 11.246 ( -2.368 0.675 -1.076) 2.687 11.267 ( -1.966 0.384 0.285) 2.023 11.324 ( 1.930 -4.286 1.698) 4.998 11.438 ( 1.736 -0.811 -1.306) 2.318 11.569 ( 1.459 4.800 2.531) 5.619 11.614 ( 0.880 0.276 -2.222) 2.406 11.650 ( 5.267 -3.184 -1.398) 6.312 11.753 ( 0.203 0.168 -4.301) 4.309 11.880 ( -3.997 1.095 -0.862) 4.233 11.886 ( 0.880 -1.398 -4.563) 4.853 12.063 ( 0.170 1.792 1.835) 2.570 12.122 ( 1.251 6.128 0.500) 6.274 12.194 ( 6.827 7.335 -3.579) 10.641 12.329 ( 1.130 -7.080 2.285) 7.525 12.465 ( 6.327 -0.293 -6.422) 9.020 12.699 ( 5.269 -4.057 -7.865) 10.300 12.895 ( -1.020 1.284 -1.602) 2.292 12.922 ( -0.098 2.713 -5.437) 6.077 13.140 ( -1.641 -3.854 -2.952) 5.125 13.242 ( 2.562 -2.871 -6.514) 7.566 13.348 ( -7.908 2.676 -5.338) 9.909 13.420 ( -7.876 2.304 -2.591) 8.606 13.665 ( -0.127 0.591 0.073) 0.609 13.803 ( 0.966 -3.948 0.155) 4.067 14.090 ( -3.000 4.110 3.100) 5.958 14.325 ( -5.192 -5.805 -6.689) 10.266 14.706 ( 1.299 2.880 8.516) 9.084 14.784 ( 3.164 -0.756 7.510) 8.184 15.981 ( -0.238 2.388 0.375) 2.429 16.074 ( 0.315 -1.268 -2.144) 2.510 16.237 ( 0.657 0.685 1.234) 1.557 16.277 ( 1.305 -0.758 0.449) 1.575 16.507 ( -0.179 1.294 2.823) 3.111 16.537 ( 0.828 0.543 0.621) 1.169 16.652 ( 0.018 -0.453 1.814) 1.870 16.672 ( 0.500 -0.916 0.313) 1.089 17.277 ( -1.619 0.416 -0.368) 1.712 17.288 ( -2.351 0.313 1.430) 2.770 17.364 ( -1.676 0.004 0.607) 1.783 17.430 ( -5.162 -2.497 2.199) 6.142 19.403 ( 11.700 1.490 -0.529) 11.806 19.459 ( 8.377 -0.427 1.377) 8.500 19.761 ( 14.145 -0.168 2.988) 14.458 19.801 ( 16.681 -1.482 -2.337) 16.909 20.355 ( -6.311 1.690 3.039) 7.206 20.398 ( -3.762 1.929 0.158) 4.231 20.684 ( -7.554 1.023 1.904) 7.857 20.825 ( -6.187 -3.192 -2.560) 7.418 22.009 ( -0.020 0.890 -0.127) 0.899 22.090 ( -1.314 -1.761 0.675) 2.298 22.335 ( -1.053 4.646 0.464) 4.786 22.523 ( -1.175 -2.730 -1.461) 3.312 22.559 ( -0.112 0.615 0.253) 0.675 22.627 ( -1.349 -1.484 0.559) 2.082 22.640 ( -2.103 1.372 -1.471) 2.910 22.685 ( -0.537 -0.720 1.603) 1.837 27.304 ( -0.587 0.528 2.016) 2.165 27.336 ( -0.780 -0.898 2.435) 2.710 27.398 ( 0.354 1.180 -1.068) 1.631 27.449 ( -0.913 -0.968 -1.137) 1.751 28.723 ( -1.737 1.841 4.053) 4.778 28.828 ( -2.657 -2.900 4.374) 5.882 28.973 ( -0.374 4.365 -0.219) 4.387 29.158 ( -2.173 -3.524 -2.863) 5.034 30.276 ( 0.937 0.767 1.315) 1.788 30.355 ( 1.075 -3.076 0.358) 3.278 30.705 ( 4.213 4.440 1.936) 6.419 30.790 ( 1.042 5.981 2.274) 6.482 30.984 ( 3.462 -6.903 -2.392) 8.084 31.126 ( 7.527 -4.358 -6.627) 10.934 31.629 ( -5.576 2.072 -1.277) 6.084 31.684 ( -4.993 0.959 -3.122) 5.966 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -17.673 7.470 16.563) 25.347 1.965 ( -10.037 -2.620 2.090) 10.582 2.073 ( -11.414 3.732 -2.699) 12.308 2.138 ( -6.836 4.706 2.858) 8.777 2.180 ( 10.381 3.025 -1.354) 10.897 2.310 ( 0.433 2.261 2.992) 3.775 2.379 ( 5.836 -5.525 -10.890) 13.534 2.484 ( -0.807 -5.360 -0.929) 5.499 2.621 ( -1.740 -3.630 -5.459) 6.783 2.709 ( -1.082 -0.737 -5.161) 5.325 2.751 ( 0.666 -1.970 -2.615) 3.341 2.826 ( -3.401 -4.847 -1.020) 6.008 2.953 ( 4.129 0.336 0.759) 4.211 2.973 ( 2.121 -0.888 3.587) 4.261 3.034 ( 0.604 -0.156 2.174) 2.262 3.135 ( 2.914 -0.071 -1.554) 3.303 3.165 ( 0.414 2.858 3.837) 4.803 3.223 ( -0.807 3.529 0.119) 3.622 3.259 ( 6.651 3.484 2.530) 7.923 3.310 ( -3.750 1.761 0.261) 4.151 3.383 ( 6.239 6.465 3.233) 9.548 3.452 ( -1.391 6.052 -2.380) 6.650 3.534 ( 1.906 0.049 -4.267) 4.673 3.551 ( -3.304 -2.416 -2.225) 4.659 3.709 ( -1.864 -5.789 0.568) 6.108 3.798 ( 7.548 -5.384 -2.624) 9.636 3.854 ( -4.360 2.452 3.291) 5.988 3.919 ( -5.918 -3.056 0.148) 6.662 4.026 ( -9.178 -2.227 0.606) 9.464 4.082 ( 0.687 1.988 3.050) 3.705 4.151 ( 1.212 5.469 -1.167) 5.722 4.279 ( 2.045 0.788 0.951) 2.389 4.337 ( 0.239 -1.434 -1.927) 2.414 4.413 ( 7.935 -1.278 -2.057) 8.297 4.642 ( -0.136 1.540 -2.879) 3.268 4.697 ( 4.490 0.593 1.069) 4.654 4.725 ( -4.589 0.171 3.619) 5.847 4.753 ( -1.173 -0.977 3.073) 3.432 4.800 ( 0.702 4.630 -0.566) 4.717 4.867 ( 1.714 -2.424 -0.986) 3.128 4.958 ( 0.344 -1.260 -0.496) 1.397 4.966 ( 2.224 0.696 -4.922) 5.445 5.004 ( 3.095 -0.429 -0.640) 3.189 5.112 ( -1.878 0.307 -1.119) 2.208 5.159 ( -1.491 0.090 -1.684) 2.250 5.230 ( -1.657 1.708 0.294) 2.398 5.332 ( 0.599 0.337 -1.254) 1.430 5.405 ( 0.541 0.811 -3.277) 3.419 5.432 ( 1.470 3.114 3.330) 4.790 5.608 ( 1.795 -2.254 -3.160) 4.276 5.667 ( -0.417 2.864 -0.077) 2.896 5.690 ( 2.949 0.692 3.198) 4.405 5.738 ( -6.228 1.141 -0.731) 6.373 5.815 ( 6.660 -2.806 -5.011) 8.794 5.908 ( -6.782 1.937 3.263) 7.772 6.040 ( 0.716 -4.063 -0.287) 4.135 6.124 ( 1.428 0.608 8.384) 8.527 6.204 ( -0.613 -2.277 5.064) 5.586 6.329 ( 4.167 -0.401 -3.039) 5.173 6.389 ( 3.197 -0.426 -1.850) 3.718 6.699 ( 1.615 0.555 0.714) 1.851 6.819 ( 0.886 -4.741 -0.874) 4.901 6.894 ( -0.287 1.367 -0.395) 1.452 6.944 ( -0.993 0.358 0.197) 1.073 6.978 ( 0.246 -1.145 -2.765) 3.002 7.026 ( -2.671 -1.859 -2.448) 4.073 7.109 ( -0.242 -2.229 2.240) 3.170 7.241 ( -1.672 -6.437 -1.293) 6.775 7.321 ( 2.094 2.643 2.183) 4.017 7.373 ( 2.096 1.736 3.186) 4.190 7.442 ( -2.619 3.430 -2.565) 5.020 7.561 ( -6.626 -0.671 -3.818) 7.677 7.694 ( 4.963 1.245 -0.329) 5.127 7.758 ( -1.246 -0.761 -2.052) 2.519 7.875 ( -1.852 -0.093 3.881) 4.302 7.942 ( 0.727 -2.120 0.931) 2.428 8.090 ( 0.238 1.518 2.677) 3.087 8.146 ( -0.427 -0.956 -0.422) 1.129 8.240 ( -0.936 2.751 -1.840) 3.440 8.258 ( 0.116 3.290 -1.431) 3.589 8.468 ( 1.060 -1.807 0.812) 2.246 8.488 ( -1.660 -1.236 -0.127) 2.073 8.649 ( 2.623 3.378 0.766) 4.344 8.685 ( -2.027 1.251 -0.419) 2.418 9.747 ( 0.724 -0.004 -0.647) 0.971 9.838 ( -0.767 -1.203 -2.527) 2.902 9.940 ( -0.124 -1.034 2.190) 2.424 10.021 ( -2.197 -3.315 1.270) 4.175 10.109 ( 1.753 -0.236 0.855) 1.965 10.153 ( 1.264 -0.575 0.991) 1.706 10.336 ( 0.672 0.467 4.150) 4.230 10.357 ( 0.638 0.243 2.299) 2.399 10.762 ( 1.099 4.854 12.668) 13.610 10.889 ( -1.573 -0.083 1.252) 2.012 10.937 ( 3.482 -4.444 2.722) 6.268 11.057 ( -8.557 -2.435 0.174) 8.899 11.219 ( -2.624 4.710 0.901) 5.466 11.256 ( 2.096 3.202 -0.636) 3.880 11.359 ( 0.192 -3.256 2.343) 4.016 11.457 ( 2.109 1.428 -1.214) 2.822 11.535 ( 0.110 3.060 -5.159) 5.999 11.644 ( -1.247 -1.527 -7.034) 7.305 11.700 ( -1.752 -3.998 1.643) 4.664 11.727 ( 0.332 -1.459 9.732) 9.846 11.820 ( 0.393 -0.583 -2.448) 2.547 11.903 ( 1.833 -4.202 -0.051) 4.585 12.078 ( 1.457 4.443 0.676) 4.724 12.153 ( 2.203 6.733 -0.450) 7.098 12.225 ( 0.955 5.703 -5.818) 8.203 12.428 ( 6.861 -8.125 -0.338) 10.639 12.483 ( 2.106 -2.431 -4.407) 5.456 12.658 ( 2.184 -4.291 -15.471) 16.203 12.839 ( -1.314 1.748 -2.756) 3.518 12.920 ( -1.341 -1.953 -0.935) 2.546 13.049 ( -1.741 6.669 -2.346) 7.281 13.134 ( -8.550 3.405 -5.068) 10.506 13.265 ( 2.015 0.144 0.753) 2.156 13.398 ( 5.694 0.385 -3.438) 6.663 13.652 ( 0.495 -3.586 -2.344) 4.313 13.761 ( -1.583 -5.607 -6.332) 8.604 14.091 ( -1.733 3.678 4.658) 6.183 14.228 ( -0.898 -2.925 -2.351) 3.858 14.789 ( -1.251 2.579 8.439) 8.913 14.879 ( 0.248 -1.122 5.726) 5.840 15.980 ( -0.351 2.090 0.720) 2.238 16.057 ( -0.001 -0.744 -2.439) 2.550 16.249 ( -0.558 0.420 1.525) 1.677 16.291 ( 0.029 -0.984 0.176) 1.000 16.520 ( -1.051 1.471 2.443) 3.039 16.556 ( 0.587 0.467 0.762) 1.069 16.658 ( -0.839 -0.545 1.386) 1.710 16.683 ( 0.439 -1.127 0.404) 1.275 17.248 ( -2.327 0.013 1.617) 2.834 17.283 ( 0.662 -0.449 -0.086) 0.804 17.364 ( 0.433 -0.585 1.091) 1.312 17.370 ( -2.863 -1.275 1.575) 3.508 19.515 ( -3.146 0.906 0.416) 3.300 19.533 ( 2.182 0.286 -0.202) 2.210 19.937 ( -0.214 1.054 3.056) 3.240 20.031 ( 9.622 -2.799 -2.156) 10.250 20.291 ( -3.145 2.346 3.409) 5.198 20.379 ( 2.562 2.074 0.027) 3.296 20.604 ( -2.715 -0.689 2.786) 3.951 20.728 ( -0.614 -2.728 -3.551) 4.519 22.026 ( 1.133 0.583 0.860) 1.537 22.061 ( -1.292 0.208 -0.685) 1.477 22.348 ( 0.968 2.224 2.228) 3.294 22.468 ( -2.214 -2.425 -3.190) 4.578 22.560 ( -0.146 1.387 0.906) 1.663 22.605 ( -0.686 1.869 -1.027) 2.240 22.637 ( 1.441 -1.397 1.394) 2.443 22.685 ( 0.250 -1.229 -0.423) 1.324 27.310 ( -0.866 0.578 2.148) 2.388 27.347 ( -0.469 -1.044 2.322) 2.589 27.394 ( 0.411 0.881 -1.182) 1.531 27.429 ( 0.159 -0.665 -1.284) 1.454 28.735 ( -1.230 1.331 4.511) 4.862 28.824 ( -2.056 -2.871 3.924) 5.279 28.969 ( 0.411 4.258 -0.137) 4.280 29.122 ( 1.622 -2.475 -3.643) 4.694 30.302 ( 0.328 0.606 1.822) 1.948 30.361 ( -0.370 -1.977 -0.390) 2.049 30.751 ( -0.412 2.113 3.453) 4.069 30.823 ( -0.680 4.175 1.433) 4.466 31.003 ( 0.715 -4.177 -1.053) 4.367 31.156 ( 2.303 -4.563 -7.709) 9.249 31.554 ( -1.782 2.183 -0.595) 2.880 31.607 ( 0.223 1.469 -3.663) 3.953 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -18.985 7.287 23.435) 31.028 1.724 ( -19.747 10.770 3.536) 22.770 1.839 ( -11.375 -4.672 6.508) 13.913 2.140 ( 0.043 1.548 6.320) 6.507 2.291 ( -4.496 -6.341 4.300) 8.883 2.317 ( -2.122 0.059 6.039) 6.401 2.376 ( 5.610 -1.007 -5.451) 7.886 2.494 ( 2.018 0.153 -7.043) 7.328 2.590 ( 1.016 -3.274 -3.004) 4.558 2.629 ( -1.003 -2.017 -3.902) 4.505 2.717 ( 0.375 -0.667 -3.640) 3.719 2.764 ( -5.131 -3.350 2.472) 6.608 2.898 ( -13.926 2.278 0.499) 14.120 2.971 ( -7.973 2.551 0.973) 8.428 3.015 ( -10.563 3.683 1.512) 11.289 3.044 ( 0.045 4.272 0.297) 4.282 3.079 ( -9.446 3.016 -2.854) 10.318 3.204 ( -1.298 -2.808 -2.587) 4.033 3.256 ( 3.444 2.125 -3.238) 5.183 3.348 ( 1.509 2.131 1.252) 2.896 3.387 ( 2.002 3.960 -0.095) 4.438 3.474 ( -3.972 -1.311 0.327) 4.195 3.529 ( 0.124 5.298 -0.687) 5.343 3.608 ( -2.229 -0.793 1.498) 2.800 3.657 ( 4.222 1.923 -3.188) 5.629 3.728 ( -4.486 0.373 -1.729) 4.822 3.812 ( -8.232 -0.973 -0.709) 8.320 3.904 ( 3.768 -7.825 2.324) 8.990 3.944 ( 0.218 -4.377 1.196) 4.542 4.097 ( -1.892 2.878 1.947) 3.957 4.173 ( 0.150 2.237 2.781) 3.573 4.208 ( -7.668 1.312 -3.050) 8.356 4.328 ( 3.160 2.076 -4.372) 5.780 4.511 ( 2.513 -8.396 0.324) 8.770 4.564 ( -4.389 -4.535 1.106) 6.408 4.667 ( -2.999 -4.511 -0.986) 5.506 4.774 ( 2.666 -1.465 -2.302) 3.815 4.829 ( 2.804 -3.756 0.131) 4.689 4.838 ( 0.680 2.506 -3.964) 4.739 4.921 ( 10.232 3.076 0.645) 10.704 4.975 ( 2.386 -0.834 -0.354) 2.552 5.015 ( 0.124 -1.114 0.352) 1.174 5.022 ( 8.028 0.337 1.326) 8.144 5.155 ( 2.649 4.793 -2.465) 6.006 5.181 ( 5.465 1.579 -0.460) 5.707 5.215 ( 0.925 2.151 1.516) 2.789 5.297 ( 0.960 2.707 -3.642) 4.638 5.464 ( 4.504 4.052 -0.085) 6.059 5.488 ( 1.484 2.598 1.496) 3.345 5.529 ( -8.395 0.034 -1.368) 8.505 5.611 ( -0.719 3.523 -1.326) 3.832 5.658 ( 2.848 4.913 -3.432) 6.636 5.839 ( -2.659 1.376 3.701) 4.760 5.860 ( 5.607 -1.337 2.023) 6.109 5.913 ( 6.552 -6.823 -1.822) 9.633 6.017 ( -3.558 -4.635 1.320) 5.990 6.190 ( -2.523 -0.636 6.651) 7.142 6.229 ( -0.495 -0.850 0.635) 1.171 6.332 ( 0.233 0.755 -6.824) 6.870 6.387 ( 1.276 0.032 -3.155) 3.404 6.738 ( 0.127 0.255 1.582) 1.608 6.788 ( -1.379 -1.235 -5.398) 5.706 6.864 ( -3.364 -2.177 0.477) 4.035 6.942 ( -0.964 -0.443 -2.680) 2.882 6.963 ( -0.452 -3.724 5.397) 6.573 7.018 ( 5.443 0.534 -0.997) 5.560 7.090 ( -1.739 -2.451 0.888) 3.134 7.221 ( -0.694 -3.813 1.336) 4.100 7.349 ( -3.155 1.841 -0.336) 3.668 7.376 ( 1.828 2.834 2.417) 4.149 7.438 ( -2.941 0.819 -1.925) 3.609 7.510 ( 3.845 3.923 3.561) 6.546 7.668 ( -3.425 -0.175 -0.441) 3.457 7.797 ( 4.339 0.234 -2.170) 4.857 7.889 ( 0.642 -2.045 2.914) 3.617 7.984 ( 2.780 -2.597 -0.084) 3.806 8.107 ( -0.575 -0.130 1.631) 1.735 8.150 ( 1.244 -1.574 -1.047) 2.263 8.235 ( 2.264 4.885 -0.250) 5.389 8.294 ( 4.848 3.532 -0.952) 6.073 8.481 ( 1.297 -1.831 0.313) 2.266 8.536 ( 4.409 -1.680 0.493) 4.744 8.669 ( 1.448 3.432 -0.898) 3.832 8.726 ( 4.340 1.143 1.057) 4.611 9.744 ( -0.729 -0.438 0.096) 0.856 9.796 ( -0.940 0.136 -2.453) 2.631 9.943 ( -2.292 -2.172 0.700) 3.235 9.992 ( -1.225 -1.868 1.508) 2.695 10.170 ( 3.326 -1.612 1.928) 4.169 10.187 ( 2.107 -1.884 -0.396) 2.854 10.366 ( 0.368 1.722 0.628) 1.870 10.395 ( 1.267 -0.161 1.506) 1.975 10.790 ( -6.664 2.026 8.278) 10.819 10.841 ( -8.813 -0.864 3.403) 9.487 10.940 ( -0.856 0.608 -0.759) 1.295 11.061 ( 3.432 0.189 6.345) 7.216 11.162 ( -2.355 1.920 1.202) 3.268 11.277 ( -0.425 -0.286 -0.829) 0.975 11.418 ( 2.155 1.993 2.322) 3.743 11.469 ( -0.313 1.674 -4.829) 5.120 11.480 ( -2.588 0.515 -1.851) 3.223 11.548 ( 0.560 3.072 -3.311) 4.551 11.654 ( -3.636 -2.100 1.814) 4.574 11.819 ( -0.583 -3.011 9.181) 9.680 11.836 ( 2.601 -2.999 -3.440) 5.253 11.929 ( 0.657 -6.046 1.676) 6.309 12.132 ( 1.593 4.327 1.178) 4.759 12.137 ( -2.402 2.937 -11.158) 11.786 12.183 ( 3.202 3.694 -3.720) 6.143 12.390 ( -0.607 -6.383 -10.999) 12.731 12.536 ( 0.959 -0.720 -15.555) 15.601 12.585 ( 6.066 -2.556 -1.187) 6.689 12.832 ( -3.734 -0.118 -2.089) 4.280 12.846 ( 0.673 -0.920 6.155) 6.260 12.951 ( -6.548 5.915 0.458) 8.836 13.085 ( 1.188 2.292 2.539) 3.621 13.334 ( 3.851 -0.481 -1.257) 4.079 13.483 ( 7.398 -0.154 -5.558) 9.255 13.588 ( -1.328 -2.146 -2.948) 3.881 13.788 ( 7.852 -2.841 0.464) 8.363 14.093 ( -2.562 4.008 4.570) 6.596 14.224 ( 0.967 -2.647 -0.589) 2.879 14.796 ( -5.350 2.231 6.016) 8.354 14.886 ( -3.640 -1.114 2.916) 4.795 15.983 ( -0.323 1.486 1.387) 2.058 16.034 ( -0.123 -0.295 -2.057) 2.081 16.246 ( -1.328 0.055 1.618) 2.095 16.281 ( -1.178 -0.948 -0.107) 1.516 16.515 ( -1.500 1.766 1.795) 2.931 16.569 ( 0.192 -0.049 0.395) 0.441 16.655 ( -0.634 0.001 1.174) 1.334 16.694 ( 0.342 -1.130 0.311) 1.221 17.223 ( -1.967 -0.002 1.250) 2.331 17.288 ( -0.743 -2.935 1.539) 3.397 17.368 ( 1.657 1.072 1.048) 2.235 17.405 ( 2.181 -0.711 2.056) 3.080 19.379 ( -11.357 1.737 0.382) 11.495 19.470 ( -8.701 -1.789 0.634) 8.906 19.801 ( -14.428 3.844 -0.572) 14.942 20.007 ( -7.895 -4.096 -6.896) 11.254 20.336 ( 4.365 2.077 1.790) 5.155 20.464 ( 5.344 -1.376 0.401) 5.533 20.672 ( 6.388 -0.744 3.992) 7.569 20.750 ( 5.418 -1.101 -2.094) 5.912 22.016 ( -1.418 1.931 -0.269) 2.410 22.086 ( 2.929 -0.397 0.525) 3.002 22.396 ( 0.450 -0.474 1.723) 1.843 22.410 ( -0.207 -0.501 -0.878) 1.032 22.573 ( 0.332 2.151 0.871) 2.344 22.596 ( 0.876 2.806 -0.261) 2.951 22.668 ( 0.904 -2.194 -0.496) 2.425 22.720 ( 4.554 -1.314 -0.328) 4.751 27.310 ( -1.188 0.486 2.108) 2.468 27.348 ( -0.954 -1.156 0.645) 1.631 27.406 ( 1.362 0.638 0.611) 1.624 27.433 ( 1.532 -0.433 -1.416) 2.131 28.755 ( -1.193 0.882 4.614) 4.847 28.823 ( -1.246 -2.476 2.244) 3.566 29.003 ( 2.811 4.629 2.548) 5.986 29.149 ( 5.429 -1.932 -4.823) 7.515 30.317 ( -0.668 0.289 1.853) 1.991 30.339 ( -1.222 -0.551 -1.072) 1.716 30.753 ( -4.067 0.837 2.891) 5.060 30.799 ( -2.387 1.073 2.166) 3.397 30.978 ( -2.832 -2.809 -1.929) 4.431 31.066 ( -3.620 -3.298 -8.369) 9.697 31.556 ( 1.724 2.230 1.199) 3.063 31.633 ( 5.256 1.536 -1.410) 5.654 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -21.299 9.750 12.779) 26.684 1.482 ( -16.642 15.235 21.501) 31.167 1.782 ( -5.683 -6.503 14.125) 16.556 2.166 ( -7.047 -14.154 6.529) 17.106 2.234 ( -7.031 1.163 -8.482) 11.078 2.281 ( -5.482 3.108 8.453) 10.544 2.309 ( -13.436 -2.361 -1.200) 13.694 2.423 ( -1.537 -1.366 -1.049) 2.308 2.465 ( -27.747 10.873 17.716) 34.669 2.526 ( -4.263 2.705 -7.832) 9.319 2.613 ( -1.119 1.097 -0.952) 1.834 2.690 ( -2.699 8.238 5.000) 10.007 2.747 ( -1.136 -1.640 1.801) 2.688 2.892 ( -5.165 1.424 -3.151) 6.215 2.925 ( 0.479 3.039 -1.084) 3.262 2.975 ( 3.243 -0.267 3.229) 4.585 3.020 ( -3.867 3.799 -1.701) 5.681 3.159 ( 1.104 -3.034 1.416) 3.526 3.251 ( -8.658 3.751 1.624) 9.574 3.305 ( -1.747 0.556 -5.562) 5.856 3.369 ( -4.977 -1.201 1.894) 5.459 3.416 ( 2.489 3.166 -5.042) 6.452 3.510 ( -0.904 1.465 -1.996) 2.636 3.539 ( -0.497 -1.021 -6.602) 6.699 3.639 ( -1.169 -1.631 0.534) 2.076 3.652 ( -3.295 -4.067 -1.810) 5.539 3.823 ( 3.649 1.018 -4.417) 5.819 3.899 ( -3.251 -3.615 1.669) 5.140 3.954 ( 2.828 0.727 -0.683) 2.999 4.070 ( -7.181 -8.010 2.564) 11.059 4.163 ( -1.246 -1.273 3.126) 3.598 4.196 ( 6.078 -2.631 3.353) 7.423 4.309 ( -2.883 1.129 0.437) 3.127 4.532 ( 0.049 -4.663 -1.146) 4.802 4.571 ( 2.196 -6.005 -1.055) 6.481 4.589 ( -0.363 -2.948 -1.554) 3.352 4.755 ( 0.516 -0.168 -3.034) 3.082 4.837 ( 1.427 -3.130 -1.420) 3.721 4.886 ( 5.275 1.002 -3.492) 6.405 4.995 ( 1.544 -0.261 -1.477) 2.153 5.049 ( 1.919 -1.910 -1.082) 2.915 5.076 ( 2.476 -2.447 0.563) 3.526 5.125 ( 1.879 3.286 -3.387) 5.079 5.208 ( 4.742 -1.166 -0.726) 4.937 5.262 ( 1.296 4.849 0.170) 5.022 5.294 ( 6.157 4.465 -5.303) 9.272 5.330 ( 7.043 3.563 5.691) 9.731 5.408 ( -1.462 4.497 -0.014) 4.728 5.507 ( 1.091 1.554 -0.893) 2.098 5.538 ( 2.602 3.719 0.332) 4.550 5.603 ( 1.232 2.266 -2.482) 3.580 5.700 ( 3.269 5.010 -2.228) 6.384 5.831 ( -1.693 0.934 1.917) 2.723 5.892 ( -3.618 -1.380 0.978) 3.994 5.965 ( -2.095 -2.373 0.903) 3.291 6.020 ( 3.674 -7.610 1.745) 8.629 6.150 ( -2.992 -1.528 -3.880) 5.133 6.179 ( -2.342 -1.721 -1.700) 3.367 6.274 ( 0.553 2.987 -6.056) 6.775 6.364 ( 0.205 0.988 -6.374) 6.453 6.727 ( -2.238 0.542 1.885) 2.976 6.734 ( -0.066 1.611 -1.626) 2.289 6.786 ( -4.487 0.427 2.159) 4.998 6.943 ( -1.475 -4.561 1.722) 5.093 7.019 ( 2.816 -2.523 1.454) 4.051 7.086 ( 2.112 -4.265 -0.756) 4.820 7.106 ( 2.778 3.684 -1.131) 4.751 7.210 ( -0.897 -0.192 -0.138) 0.928 7.317 ( 0.845 1.329 -0.061) 1.576 7.416 ( -0.667 0.718 2.809) 2.975 7.437 ( 0.889 4.967 -0.840) 5.115 7.536 ( 1.093 2.004 5.179) 5.660 7.687 ( -0.287 -3.277 4.954) 5.946 7.822 ( 1.221 -6.301 -3.090) 7.124 7.945 ( 3.351 0.830 2.269) 4.131 8.046 ( 5.997 -0.800 -1.225) 6.173 8.128 ( 1.617 0.041 1.999) 2.572 8.168 ( 1.167 1.535 -0.174) 1.937 8.299 ( 3.620 1.393 1.373) 4.115 8.377 ( 4.746 0.837 -2.497) 5.428 8.536 ( 4.363 1.531 1.385) 4.827 8.616 ( 4.096 0.872 -0.316) 4.200 8.715 ( 4.059 2.733 -0.640) 4.935 8.800 ( 2.935 -0.427 -0.062) 2.966 9.745 ( 0.518 0.323 1.013) 1.183 9.760 ( -0.295 0.553 -2.247) 2.333 9.887 ( -3.268 0.308 -1.000) 3.432 9.986 ( -1.485 -2.925 1.160) 3.479 10.214 ( 0.520 -1.040 0.868) 1.452 10.249 ( 3.088 -1.621 2.758) 4.447 10.363 ( 0.602 1.621 -2.308) 2.884 10.425 ( 1.239 -1.155 -0.073) 1.695 10.720 ( -5.804 -0.934 1.678) 6.113 10.745 ( -5.596 -1.119 6.732) 8.826 10.923 ( -0.771 4.534 -1.894) 4.974 11.063 ( -11.200 3.515 4.547) 12.588 11.182 ( 1.682 -3.938 1.780) 4.637 11.272 ( 0.763 -1.606 0.926) 2.005 11.323 ( -7.051 -0.564 -3.509) 7.896 11.365 ( -1.239 -2.151 -1.632) 2.971 11.552 ( 2.608 -0.262 2.404) 3.557 11.593 ( 3.165 0.878 -0.234) 3.292 11.650 ( -0.471 3.230 2.671) 4.218 11.815 ( -1.236 -2.100 -4.956) 5.523 11.864 ( -0.336 -0.009 -4.132) 4.146 11.906 ( -6.761 -2.669 3.536) 8.083 11.973 ( -1.849 -4.160 -15.014) 15.689 12.061 ( -3.478 2.559 -6.413) 7.731 12.181 ( 1.965 -1.088 -6.877) 7.234 12.302 ( 0.652 0.101 -3.575) 3.635 12.471 ( 2.464 3.179 -6.020) 7.240 12.636 ( 2.771 1.525 -3.189) 4.492 12.771 ( -2.157 2.020 0.801) 3.062 12.869 ( -0.473 -0.378 3.415) 3.468 13.024 ( 3.529 -0.908 13.050) 13.549 13.134 ( 0.509 -0.003 6.116) 6.138 13.349 ( 3.569 -4.547 -7.951) 9.830 13.449 ( -0.210 -6.066 -4.009) 7.274 13.798 ( 17.128 9.320 5.352) 20.221 13.931 ( 5.060 0.637 -1.045) 5.206 14.108 ( -1.077 3.235 9.160) 9.774 14.237 ( 2.013 -2.921 -1.416) 3.819 14.712 ( -8.238 1.894 3.113) 9.008 14.820 ( -4.807 -1.768 1.048) 5.228 15.995 ( -0.055 0.766 1.896) 2.045 16.021 ( 0.297 -0.102 -1.105) 1.148 16.226 ( -2.483 -0.458 0.954) 2.699 16.249 ( -2.213 -0.771 -0.360) 2.371 16.503 ( -1.235 2.339 1.086) 2.860 16.567 ( -0.203 -0.661 -0.787) 1.048 16.655 ( -0.495 0.893 0.501) 1.137 16.694 ( -0.422 -0.778 -0.506) 1.020 17.214 ( -0.375 0.778 2.792) 2.922 17.309 ( 1.240 -3.281 3.093) 4.677 17.426 ( 3.374 1.354 0.935) 3.754 17.475 ( 2.881 -0.917 3.306) 4.480 19.166 ( -11.612 1.599 0.252) 11.725 19.276 ( -12.714 -3.130 0.397) 13.099 19.483 ( -18.383 3.854 -1.977) 18.886 19.679 ( -18.591 -4.252 -11.242) 22.138 20.425 ( 3.663 1.936 1.291) 4.339 20.549 ( 4.196 -2.376 -1.060) 4.938 20.828 ( 6.822 0.334 0.897) 6.889 20.877 ( 8.644 -2.155 2.645) 9.293 21.999 ( -0.406 2.882 0.304) 2.926 22.138 ( 2.356 -2.251 -0.108) 3.260 22.374 ( 0.092 1.892 -1.096) 2.189 22.461 ( 0.827 -2.966 3.710) 4.821 22.576 ( 0.178 1.840 -0.260) 1.866 22.645 ( 3.671 5.199 0.819) 6.417 22.683 ( 1.756 -2.462 -0.778) 3.123 22.799 ( 4.686 -1.611 -2.653) 5.621 27.307 ( -1.261 0.288 2.058) 2.431 27.335 ( -0.802 -0.886 0.258) 1.223 27.440 ( 1.726 -0.119 0.034) 1.730 27.454 ( 1.899 -0.229 -1.052) 2.183 28.772 ( -1.441 0.760 4.348) 4.643 28.821 ( -0.410 -1.424 0.963) 1.767 29.125 ( 7.251 3.328 3.907) 8.883 29.218 ( 7.783 -0.979 -6.636) 10.275 30.301 ( -1.472 0.373 -1.397) 2.064 30.311 ( -1.691 0.078 1.220) 2.086 30.650 ( -10.092 -0.498 3.842) 10.810 30.706 ( -10.164 -3.203 -9.049) 13.981 30.867 ( -4.919 1.553 3.132) 6.034 30.968 ( -0.812 -2.281 -4.036) 4.707 31.636 ( 4.433 2.442 3.997) 6.449 31.774 ( 10.289 -0.174 2.148) 10.512 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -17.919 15.681 14.830) 28.052 1.408 ( -12.999 24.864 18.422) 33.564 1.781 ( -8.062 0.959 -5.638) 9.884 1.913 ( -11.551 -11.126 -2.338) 16.208 1.990 ( -11.803 -4.528 4.209) 13.324 2.095 ( -8.933 1.560 3.006) 9.553 2.180 ( -13.158 3.320 15.135) 20.328 2.282 ( -9.227 8.090 14.549) 19.033 2.462 ( -0.242 0.392 3.589) 3.618 2.490 ( -0.683 -2.713 6.773) 7.328 2.587 ( -3.470 -1.208 -1.293) 3.895 2.670 ( -6.373 9.653 0.151) 11.568 2.741 ( 0.978 7.166 5.053) 8.822 2.808 ( 0.375 2.239 7.284) 7.629 2.988 ( 3.660 0.941 1.454) 4.049 3.003 ( -0.035 -0.289 4.613) 4.622 3.055 ( -9.013 -3.428 0.137) 9.644 3.118 ( 5.418 -0.264 3.901) 6.681 3.207 ( 1.163 -1.121 -3.978) 4.294 3.255 ( 1.082 2.892 2.984) 4.294 3.340 ( 1.297 1.878 -1.359) 2.656 3.385 ( -3.122 0.075 -2.811) 4.202 3.448 ( 1.550 -4.273 0.535) 4.577 3.567 ( 2.495 -0.580 -5.658) 6.211 3.584 ( 1.355 -5.209 -5.236) 7.508 3.600 ( -0.578 -3.234 -5.265) 6.205 3.787 ( -1.390 -5.885 -3.131) 6.810 3.917 ( 2.689 -3.574 3.869) 5.914 3.973 ( -4.412 -6.426 -0.585) 7.817 4.037 ( 3.839 0.492 0.489) 3.901 4.164 ( -2.133 2.288 4.691) 5.638 4.262 ( -2.330 2.367 0.333) 3.338 4.313 ( -0.176 -4.672 4.213) 6.293 4.464 ( -2.162 -5.483 -3.699) 6.959 4.584 ( 4.747 1.619 -2.916) 5.801 4.668 ( 4.092 -5.163 -1.788) 6.826 4.763 ( 2.778 -0.049 -2.445) 3.701 4.847 ( -1.715 -3.160 -1.531) 3.908 4.917 ( 2.014 0.408 -2.340) 3.114 4.976 ( -0.243 -0.096 -4.571) 4.578 5.014 ( -1.945 -0.852 -2.983) 3.662 5.094 ( 0.432 -2.062 2.216) 3.057 5.115 ( -0.584 0.058 -0.453) 0.741 5.225 ( -0.345 4.759 -1.474) 4.994 5.291 ( 4.631 -0.613 -0.996) 4.777 5.355 ( 0.741 -0.127 -0.857) 1.140 5.438 ( 4.537 4.249 -2.320) 6.635 5.510 ( 4.993 -1.758 3.761) 6.493 5.523 ( 0.153 2.322 -1.696) 2.880 5.556 ( 3.714 1.477 -3.786) 5.505 5.594 ( -1.266 4.736 -0.332) 4.914 5.715 ( 0.785 3.185 -2.179) 3.938 5.796 ( -1.444 1.490 -0.477) 2.129 5.851 ( -1.480 4.315 0.806) 4.632 5.898 ( -4.556 -2.043 -0.213) 4.998 6.050 ( -0.743 -1.862 -4.241) 4.691 6.086 ( -1.418 -3.704 0.487) 3.996 6.129 ( -0.145 -1.698 -5.412) 5.674 6.257 ( 2.250 1.218 -3.208) 4.104 6.307 ( 1.437 2.397 -7.189) 7.713 6.709 ( -2.174 0.733 3.099) 3.856 6.735 ( -0.385 1.017 3.833) 3.985 6.803 ( 2.005 2.635 4.464) 5.558 6.897 ( -2.492 -2.508 -1.586) 3.874 7.062 ( 1.407 -1.452 -0.478) 2.078 7.116 ( 0.297 0.142 -0.102) 0.345 7.122 ( 3.623 0.194 -4.611) 5.868 7.199 ( 0.581 -1.506 -1.280) 2.060 7.314 ( -2.079 1.549 -1.678) 3.088 7.384 ( -2.705 1.262 0.427) 3.016 7.495 ( 3.870 7.113 3.003) 8.636 7.635 ( 1.148 -4.695 1.629) 5.101 7.672 ( -2.376 -3.202 2.842) 4.896 7.831 ( 3.019 -6.250 -1.786) 7.167 8.056 ( 5.134 1.992 3.084) 6.311 8.121 ( -4.536 2.577 -0.788) 5.276 8.171 ( 4.705 0.586 1.853) 5.090 8.195 ( 3.163 1.686 -3.808) 5.230 8.392 ( 3.632 -2.234 4.186) 5.975 8.406 ( 2.670 -2.793 -1.299) 4.076 8.658 ( 7.457 5.315 1.746) 9.322 8.682 ( 4.031 3.612 -0.555) 5.441 8.778 ( 2.182 0.811 1.110) 2.579 8.820 ( 0.541 -0.322 -1.537) 1.661 9.735 ( -0.498 2.841 -0.829) 3.001 9.800 ( 4.315 0.676 0.302) 4.378 9.828 ( -1.730 0.190 -1.538) 2.323 9.963 ( -1.130 -2.074 0.509) 2.416 10.212 ( -2.926 -0.680 3.450) 4.574 10.321 ( 2.073 1.580 0.319) 2.626 10.373 ( -3.091 -4.786 7.276) 9.242 10.416 ( 1.157 -0.644 -7.761) 7.873 10.672 ( -0.774 -0.859 -0.852) 1.437 10.693 ( -4.594 -0.534 -1.744) 4.943 10.818 ( -8.599 2.636 -1.580) 9.132 10.854 ( -12.325 3.505 3.833) 13.375 11.138 ( -9.208 -6.814 -0.374) 11.461 11.240 ( 2.569 -3.524 1.047) 4.485 11.346 ( 4.686 -3.790 -1.179) 6.141 11.361 ( 0.128 -3.000 -1.479) 3.347 11.435 ( -9.842 0.181 -9.111) 13.413 11.537 ( -3.666 -3.180 -3.263) 5.848 11.635 ( 0.766 1.264 -0.110) 1.482 11.700 ( -1.057 -1.507 -4.092) 4.487 11.819 ( 1.085 10.452 1.075) 10.563 11.872 ( -1.341 0.352 -0.346) 1.429 11.933 ( 2.142 0.877 0.654) 2.405 12.054 ( 1.545 0.742 1.927) 2.579 12.176 ( 3.459 -1.162 -4.070) 5.466 12.296 ( 0.034 -2.149 -0.893) 2.327 12.461 ( 1.793 3.534 -5.841) 7.058 12.638 ( 0.866 1.517 -3.896) 4.270 12.781 ( 0.116 3.761 5.142) 6.371 12.929 ( 2.102 -0.698 4.825) 5.309 13.180 ( 5.164 -1.461 4.120) 6.766 13.221 ( 1.716 -2.564 8.076) 8.645 13.364 ( 2.692 -3.548 -0.689) 4.506 13.437 ( 1.527 -3.916 -3.196) 5.280 13.925 ( -0.241 2.881 -4.940) 5.723 14.070 ( 3.899 -1.231 -5.276) 6.675 14.207 ( 3.490 4.687 11.435) 12.841 14.343 ( 7.251 2.662 6.437) 10.055 14.581 ( -7.912 1.688 0.918) 8.142 14.792 ( 3.269 -5.715 -0.370) 6.595 16.013 ( 0.113 0.170 1.733) 1.745 16.029 ( 0.867 -0.210 0.711) 1.141 16.168 ( -4.010 0.333 -0.673) 4.079 16.201 ( -2.387 -0.726 -0.769) 2.610 16.490 ( -0.955 2.812 -0.019) 2.970 16.549 ( -0.330 -0.520 -1.869) 1.968 16.638 ( -1.358 1.127 -0.452) 1.822 16.669 ( -1.116 -0.420 -1.552) 1.957 17.272 ( 2.419 1.645 5.088) 5.869 17.395 ( 4.533 -3.903 3.864) 7.121 17.493 ( 2.835 1.352 1.502) 3.481 17.548 ( 1.293 -0.860 3.215) 3.570 19.017 ( -4.245 0.165 0.103) 4.250 19.050 ( -11.035 -2.285 -1.597) 11.382 19.170 ( -14.290 2.378 -1.388) 14.553 19.241 ( -18.228 -0.333 -4.662) 18.817 20.484 ( 1.593 2.053 1.384) 2.944 20.590 ( 1.955 -1.689 -1.981) 3.256 20.943 ( 5.135 0.979 1.357) 5.401 21.039 ( 6.090 -4.374 1.219) 7.596 22.008 ( 0.578 2.821 1.440) 3.220 22.159 ( 0.612 -2.979 -1.254) 3.290 22.390 ( 1.649 2.261 1.066) 2.995 22.490 ( -0.694 -3.109 2.582) 4.100 22.580 ( 0.496 2.358 -0.154) 2.415 22.698 ( 1.800 -1.233 -0.391) 2.217 22.732 ( 3.632 2.094 -1.214) 4.365 22.803 ( -0.261 -0.125 -5.954) 5.961 27.303 ( -1.253 0.226 2.045) 2.409 27.327 ( -0.534 -0.920 0.716) 1.282 27.457 ( 0.038 0.089 -0.611) 0.618 27.473 ( 1.579 -0.257 -1.579) 2.248 28.779 ( -1.931 0.940 3.909) 4.460 28.828 ( 0.151 -0.753 1.125) 1.362 29.256 ( 3.120 0.871 -2.773) 4.264 29.294 ( 7.736 -0.508 -8.049) 11.175 30.269 ( -0.425 0.889 -1.271) 1.608 30.294 ( -0.341 0.575 1.051) 1.246 30.403 ( -10.733 1.687 -3.882) 11.537 30.488 ( -11.365 -1.634 3.589) 12.029 30.844 ( -3.353 0.760 4.813) 5.914 30.945 ( 1.756 -3.062 -3.393) 4.897 31.764 ( 4.241 2.912 6.015) 7.915 31.998 ( 10.975 -4.789 0.614) 11.990 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -5.252 -20.050 7.458) 22.027 1.422 ( -5.252 20.050 7.458) 22.027 1.728 ( 3.252 -5.886 -6.697) 9.491 1.728 ( 3.252 5.886 -6.697) 9.491 1.961 ( -0.741 -16.878 15.644) 23.025 1.961 ( -0.741 16.878 15.644) 23.025 2.389 ( 0.863 -12.644 -0.968) 12.710 2.389 ( 0.863 12.644 -0.968) 12.710 2.460 ( -0.985 -1.099 -0.772) 1.666 2.460 ( -0.985 1.099 -0.772) 1.666 2.591 ( -2.727 -13.465 12.899) 18.845 2.591 ( -2.727 13.465 12.899) 18.845 2.896 ( -4.103 -2.874 3.840) 6.313 2.896 ( -4.103 2.874 3.840) 6.313 2.968 ( -4.673 -13.581 2.193) 14.529 2.968 ( -4.673 13.581 2.193) 14.529 3.123 ( 4.386 -6.618 7.950) 11.235 3.123 ( 4.386 6.618 7.950) 11.235 3.267 ( 6.006 -3.974 1.556) 7.368 3.267 ( 6.006 3.974 1.556) 7.368 3.340 ( -2.879 -6.787 -2.432) 7.763 3.340 ( -2.879 6.787 -2.432) 7.763 3.458 ( 3.095 -4.360 -2.787) 6.030 3.458 ( 3.095 4.360 -2.787) 6.030 3.571 ( 4.168 -4.467 0.619) 6.141 3.571 ( 4.168 4.467 0.619) 6.141 3.719 ( -2.543 -7.701 -2.465) 8.476 3.719 ( -2.543 7.701 -2.465) 8.476 4.078 ( 2.336 -4.507 -1.494) 5.292 4.078 ( 2.336 4.507 -1.494) 5.292 4.211 ( -0.584 -4.311 0.839) 4.431 4.211 ( -0.584 4.311 0.839) 4.431 4.333 ( -0.032 -5.655 1.282) 5.798 4.333 ( -0.032 5.655 1.282) 5.798 4.600 ( -0.574 -1.401 -4.900) 5.128 4.600 ( -0.574 1.401 -4.900) 5.128 4.765 ( -0.770 -0.584 -2.145) 2.353 4.765 ( -0.770 0.584 -2.145) 2.353 4.904 ( -3.718 -1.365 -0.357) 3.977 4.904 ( -3.718 1.365 -0.357) 3.977 4.997 ( 1.929 -5.342 0.716) 5.725 4.997 ( 1.929 5.342 0.716) 5.725 5.266 ( 0.521 -1.371 2.121) 2.579 5.266 ( 0.521 1.371 2.121) 2.579 5.293 ( 3.329 -3.674 -7.659) 9.124 5.293 ( 3.329 3.674 -7.659) 9.124 5.476 ( -0.839 -1.985 -4.414) 4.912 5.476 ( -0.839 1.985 -4.414) 4.912 5.597 ( -0.372 -1.774 1.677) 2.470 5.597 ( -0.372 1.774 1.677) 2.470 5.686 ( 0.066 -1.794 -1.271) 2.199 5.686 ( 0.066 1.794 -1.271) 2.199 5.832 ( -1.930 -1.821 -0.025) 2.654 5.832 ( -1.930 1.821 -0.025) 2.654 5.905 ( 1.064 -5.245 -6.122) 8.132 5.905 ( 1.064 5.245 -6.122) 8.132 6.086 ( 0.942 -0.533 1.697) 2.013 6.086 ( 0.942 0.533 1.697) 2.013 6.287 ( 1.768 -2.192 -4.939) 5.686 6.287 ( 1.768 2.192 -4.939) 5.686 6.738 ( 0.851 -1.897 0.643) 2.176 6.738 ( 0.851 1.897 0.643) 2.176 6.912 ( 0.905 -0.598 4.578) 4.704 6.912 ( 0.905 0.598 4.578) 4.704 7.077 ( -0.211 -2.206 -1.746) 2.822 7.077 ( -0.211 2.206 -1.746) 2.822 7.146 ( -0.161 -1.835 -0.974) 2.083 7.146 ( -0.161 1.835 -0.974) 2.083 7.301 ( -1.752 -2.274 -2.949) 4.115 7.301 ( -1.752 2.274 -2.949) 4.115 7.606 ( -1.980 -0.853 4.817) 5.277 7.606 ( -1.980 0.853 4.817) 5.277 7.767 ( 2.243 -5.727 0.409) 6.164 7.767 ( 2.243 5.727 0.409) 6.164 8.038 ( -4.760 -3.300 -5.384) 7.908 8.038 ( -4.760 3.300 -5.384) 7.908 8.229 ( 0.783 -3.099 4.284) 5.345 8.229 ( 0.783 3.099 4.284) 5.345 8.426 ( 1.000 -0.594 0.566) 1.293 8.426 ( 1.000 0.594 0.566) 1.293 8.810 ( 0.875 -1.797 -0.335) 2.027 8.810 ( 0.875 1.797 -0.335) 2.027 8.829 ( 2.646 -1.794 -0.753) 3.284 8.829 ( 2.646 1.794 -0.753) 3.284 9.755 ( -0.769 -1.235 -2.012) 2.483 9.755 ( -0.769 1.235 -2.012) 2.483 9.958 ( 2.899 -2.753 3.831) 5.537 9.958 ( 2.899 2.753 3.831) 5.537 10.180 ( -9.251 -2.612 3.883) 10.368 10.180 ( -9.251 2.612 3.883) 10.368 10.339 ( -6.324 -0.691 3.495) 7.259 10.339 ( -6.324 0.691 3.495) 7.259 10.584 ( -1.109 -1.388 -3.017) 3.501 10.584 ( -1.109 1.388 -3.017) 3.501 10.814 ( 4.469 -3.516 -0.671) 5.726 10.814 ( 4.469 3.516 -0.671) 5.726 11.073 ( 1.546 -6.261 -7.096) 9.588 11.073 ( 1.546 6.261 -7.096) 9.588 11.294 ( 0.269 -0.778 -2.843) 2.960 11.294 ( 0.269 0.778 -2.843) 2.960 11.478 ( 4.246 -1.339 3.948) 5.950 11.478 ( 4.246 1.339 3.948) 5.950 11.639 ( -1.392 -1.764 -3.008) 3.754 11.639 ( -1.392 1.764 -3.008) 3.754 11.933 ( 2.114 -4.274 1.886) 5.128 11.933 ( 2.114 4.274 1.886) 5.128 12.050 ( -1.059 -7.935 1.869) 8.220 12.050 ( -1.059 7.935 1.869) 8.220 12.187 ( 1.895 -1.764 -2.760) 3.784 12.187 ( 1.895 1.764 -2.760) 3.784 12.567 ( 2.377 -4.663 -7.828) 9.417 12.567 ( 2.377 4.663 -7.828) 9.417 12.926 ( -0.813 -4.705 5.664) 7.408 12.926 ( -0.813 4.705 5.664) 7.408 13.270 ( 3.364 -2.826 -0.986) 4.502 13.270 ( 3.364 2.826 -0.986) 4.502 13.421 ( 3.212 -0.892 3.994) 5.203 13.421 ( 3.212 0.892 3.994) 5.203 13.919 ( -3.236 -2.900 -5.531) 7.033 13.919 ( -3.236 2.900 -5.531) 7.033 14.390 ( -3.065 -4.716 4.238) 7.042 14.390 ( -3.065 4.716 4.238) 7.042 14.673 ( 0.451 -9.824 2.873) 10.246 14.673 ( 0.451 9.824 2.873) 10.246 16.041 ( -0.296 -1.471 2.248) 2.703 16.041 ( -0.296 1.471 2.248) 2.703 16.145 ( 0.243 -0.939 -1.670) 1.931 16.145 ( 0.243 0.939 -1.670) 1.931 16.509 ( -0.667 -1.387 -1.295) 2.012 16.509 ( -0.667 1.387 -1.295) 2.012 16.631 ( -0.663 -0.810 -0.779) 1.305 16.631 ( -0.663 0.810 -0.779) 1.305 17.410 ( 0.844 -3.397 4.690) 5.852 17.410 ( 0.844 3.397 4.690) 5.852 17.532 ( -2.464 -1.019 1.410) 3.016 17.532 ( -2.464 1.019 1.410) 3.016 18.981 ( -0.548 -1.207 -0.193) 1.339 18.981 ( -0.548 1.207 -0.193) 1.339 19.039 ( 1.794 -1.189 -0.951) 2.353 19.039 ( 1.794 1.189 -0.951) 2.353 20.553 ( -0.786 -2.409 1.020) 2.732 20.553 ( -0.786 2.409 1.020) 2.732 21.035 ( 0.661 -1.619 0.170) 1.757 21.035 ( 0.661 1.619 0.170) 1.757 22.091 ( -0.097 -2.852 0.309) 2.870 22.091 ( -0.097 2.852 0.309) 2.870 22.452 ( -0.103 -0.963 1.727) 1.980 22.452 ( -0.103 0.963 1.727) 1.980 22.653 ( 0.135 -3.226 0.541) 3.274 22.653 ( 0.135 3.226 0.541) 3.274 22.748 ( -0.799 -2.381 -4.849) 5.461 22.748 ( -0.799 2.381 -4.849) 5.461 27.309 ( -1.134 -0.692 2.136) 2.515 27.309 ( -1.134 0.692 2.136) 2.515 27.465 ( 0.249 -1.348 -1.215) 1.832 27.465 ( 0.249 1.348 -1.215) 1.832 28.809 ( -2.211 -2.032 4.068) 5.056 28.809 ( -2.211 2.032 4.068) 5.056 29.254 ( -0.962 -4.890 -6.765) 8.403 29.254 ( -0.962 4.890 -6.765) 8.403 30.298 ( -3.716 -2.140 1.471) 4.534 30.298 ( -3.716 2.140 1.471) 4.534 30.368 ( 6.675 -3.592 -1.462) 7.720 30.368 ( 6.675 3.592 -1.462) 7.720 30.874 ( -0.443 -3.843 1.297) 4.080 30.874 ( -0.443 3.843 1.297) 4.080 31.964 ( 0.739 -6.486 1.735) 6.754 31.964 ( 0.739 6.486 1.735) 6.754 ======================= Grid point 103 (57/78) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 8.895 -13.017 6.645) 17.108 1.511 ( 8.895 13.017 6.645) 17.108 1.850 ( 13.957 -7.860 -4.356) 16.600 1.850 ( 13.957 7.860 -4.356) 16.600 2.108 ( 3.027 -12.767 10.801) 16.995 2.108 ( 3.027 12.767 10.801) 16.995 2.402 ( 1.730 -14.158 -1.321) 14.325 2.402 ( 1.730 14.158 -1.321) 14.325 2.468 ( 3.297 -5.168 -2.482) 6.614 2.468 ( 3.297 5.168 -2.482) 6.614 2.677 ( 1.130 -10.101 7.084) 12.389 2.677 ( 1.130 10.101 7.084) 12.389 2.861 ( -2.476 -9.572 3.978) 10.657 2.861 ( -2.476 9.572 3.978) 10.657 2.963 ( -1.657 -6.325 6.423) 9.165 2.963 ( -1.657 6.325 6.423) 9.165 3.184 ( -3.036 -5.886 1.800) 6.863 3.184 ( -3.036 5.886 1.800) 6.863 3.260 ( -1.645 -2.714 -2.468) 4.021 3.260 ( -1.645 2.714 -2.468) 4.021 3.388 ( 4.058 -5.054 -3.565) 7.397 3.388 ( 4.058 5.054 -3.565) 7.397 3.493 ( 3.018 -6.847 0.761) 7.521 3.493 ( 3.018 6.847 0.761) 7.521 3.637 ( 1.870 -3.006 -1.526) 3.855 3.637 ( 1.870 3.006 -1.526) 3.855 3.710 ( 6.278 -6.768 0.293) 9.236 3.710 ( 6.278 6.768 0.293) 9.236 4.028 ( -2.550 -3.589 -2.726) 5.179 4.028 ( -2.550 3.589 -2.726) 5.179 4.256 ( 2.043 -5.901 -0.830) 6.300 4.256 ( 2.043 5.901 -0.830) 6.300 4.370 ( 0.377 -5.507 4.736) 7.273 4.370 ( 0.377 5.507 4.736) 7.273 4.549 ( 0.764 -5.310 -3.840) 6.597 4.549 ( 0.764 5.310 -3.840) 6.597 4.732 ( -1.936 -2.316 -0.680) 3.094 4.732 ( -1.936 2.316 -0.680) 3.094 4.847 ( -1.921 -2.113 1.933) 3.448 4.847 ( -1.921 2.113 1.933) 3.448 5.067 ( 2.937 -2.037 1.568) 3.904 5.067 ( 2.937 2.037 1.568) 3.904 5.178 ( -1.620 -7.033 -8.872) 11.437 5.178 ( -1.620 7.033 -8.872) 11.437 5.350 ( 0.741 -1.478 -1.948) 2.555 5.350 ( 0.741 1.478 -1.948) 2.555 5.448 ( 2.057 -1.222 0.056) 2.393 5.448 ( 2.057 1.222 0.056) 2.393 5.534 ( -6.531 -4.952 1.243) 8.290 5.534 ( -6.531 4.952 1.243) 8.290 5.654 ( -2.903 -1.393 -1.952) 3.765 5.654 ( -2.903 1.393 -1.952) 3.765 5.769 ( -0.101 -5.423 -1.142) 5.543 5.769 ( -0.101 5.423 -1.142) 5.543 5.967 ( 5.587 -1.495 -2.180) 6.180 5.967 ( 5.587 1.495 -2.180) 6.180 6.109 ( -0.925 -1.935 2.572) 3.349 6.109 ( -0.925 1.935 2.572) 3.349 6.274 ( 2.184 -2.862 -5.889) 6.902 6.274 ( 2.184 2.862 -5.889) 6.902 6.776 ( 3.358 -2.340 -0.477) 4.120 6.776 ( 3.358 2.340 -0.477) 4.120 6.951 ( -0.704 -2.059 3.951) 4.511 6.951 ( -0.704 2.059 3.951) 4.511 7.015 ( -4.864 -0.788 -1.958) 5.303 7.015 ( -4.864 0.788 -1.958) 5.303 7.117 ( -2.133 -2.590 -0.667) 3.421 7.117 ( -2.133 2.590 -0.667) 3.421 7.312 ( 4.265 -1.589 0.511) 4.580 7.312 ( 4.265 1.589 0.511) 4.580 7.578 ( -4.803 -2.179 4.044) 6.646 7.578 ( -4.803 2.179 4.044) 6.646 7.758 ( -2.027 -1.585 -2.205) 3.389 7.758 ( -2.027 1.585 -2.205) 3.389 7.996 ( 1.983 -3.975 0.474) 4.467 7.996 ( 1.983 3.975 0.474) 4.467 8.240 ( -3.124 -2.064 2.233) 4.359 8.240 ( -3.124 2.064 2.233) 4.359 8.406 ( -2.805 -2.430 -0.184) 3.716 8.406 ( -2.805 2.430 -0.184) 3.716 8.773 ( -4.598 -1.409 -0.491) 4.834 8.773 ( -4.598 1.409 -0.491) 4.834 8.821 ( -1.611 -3.147 -2.470) 4.313 8.821 ( -1.611 3.147 -2.470) 4.313 9.749 ( 1.252 -1.199 -0.847) 1.929 9.749 ( 1.252 1.199 -0.847) 1.929 9.986 ( -3.640 -1.672 1.343) 4.225 9.986 ( -3.640 1.672 1.343) 4.225 10.079 ( -1.966 -0.896 5.006) 5.452 10.079 ( -1.966 0.896 5.006) 5.452 10.303 ( -4.751 -1.913 7.274) 8.896 10.303 ( -4.751 1.913 7.274) 8.896 10.576 ( 2.419 -3.852 -3.299) 5.619 10.576 ( 2.419 3.852 -3.299) 5.619 10.890 ( 2.418 -7.044 1.637) 7.626 10.890 ( 2.418 7.044 1.637) 7.626 11.137 ( 11.760 -4.211 -6.537) 14.098 11.137 ( 11.760 4.211 -6.537) 14.098 11.291 ( 0.821 -2.405 -0.612) 2.614 11.291 ( 0.821 2.405 -0.612) 2.614 11.540 ( -0.751 -1.709 -3.388) 3.868 11.540 ( -0.751 1.709 -3.388) 3.868 11.637 ( 5.374 -2.296 0.769) 5.894 11.637 ( 5.374 2.296 0.769) 5.894 11.989 ( 0.075 -3.510 2.480) 4.298 11.989 ( 0.075 3.510 2.480) 4.298 12.045 ( 0.692 -4.177 0.950) 4.339 12.045 ( 0.692 4.177 0.950) 4.339 12.188 ( 1.135 -4.129 -2.999) 5.228 12.188 ( 1.135 4.129 -2.999) 5.228 12.544 ( 2.856 -4.298 -7.230) 8.883 12.544 ( 2.856 4.298 -7.230) 8.883 12.949 ( -1.489 -4.021 4.410) 6.151 12.949 ( -1.489 4.021 4.410) 6.151 13.252 ( -0.060 -3.078 -7.243) 7.870 13.252 ( -0.060 3.078 -7.243) 7.870 13.542 ( 4.151 -0.431 5.413) 6.834 13.542 ( 4.151 0.431 5.413) 6.834 13.796 ( -5.693 -0.599 -4.154) 7.073 13.796 ( -5.693 0.599 -4.154) 7.073 14.367 ( -3.615 -5.040 4.560) 7.698 14.367 ( -3.615 5.040 4.560) 7.698 14.665 ( -2.844 -6.456 1.415) 7.195 14.665 ( -2.844 6.456 1.415) 7.195 16.043 ( -0.896 -2.755 1.151) 3.117 16.043 ( -0.896 2.755 1.151) 3.117 16.170 ( 3.284 -0.484 -0.816) 3.418 16.170 ( 3.284 0.484 -0.816) 3.418 16.496 ( 0.015 -1.205 0.116) 1.211 16.496 ( 0.015 1.205 0.116) 1.211 16.624 ( 0.264 -1.039 0.072) 1.075 16.624 ( 0.264 1.039 0.072) 1.075 17.403 ( -4.426 -0.905 1.925) 4.910 17.403 ( -4.426 0.905 1.925) 4.910 17.497 ( -3.559 -1.663 3.024) 4.958 17.497 ( -3.559 1.663 3.024) 4.958 19.011 ( 6.791 -1.447 -0.291) 6.949 19.011 ( 6.791 1.447 -0.291) 6.949 19.214 ( 15.064 -1.674 -2.068) 15.298 19.214 ( 15.064 1.674 -2.068) 15.298 20.529 ( -3.049 -1.805 1.285) 3.769 20.529 ( -3.049 1.805 1.285) 3.769 20.997 ( -4.558 -2.375 -0.456) 5.159 20.997 ( -4.558 2.375 -0.456) 5.159 22.079 ( -1.367 -0.815 0.195) 1.604 22.079 ( -1.367 0.815 0.195) 1.604 22.465 ( 0.009 -1.908 1.074) 2.189 22.465 ( 0.009 1.908 1.074) 2.189 22.644 ( -1.815 -2.675 0.250) 3.242 22.644 ( -1.815 2.675 0.250) 3.242 22.701 ( -0.551 -3.208 -1.777) 3.708 22.701 ( -0.551 3.208 -1.777) 3.708 27.309 ( -1.046 -0.787 2.174) 2.537 27.309 ( -1.046 0.787 2.174) 2.537 27.455 ( -0.226 -2.039 -0.882) 2.233 27.455 ( -0.226 2.039 -0.882) 2.233 28.798 ( -3.023 -2.708 4.101) 5.770 28.798 ( -3.023 2.708 4.101) 5.770 29.171 ( -2.761 -7.704 -2.773) 8.641 29.171 ( -2.761 7.704 -2.773) 8.641 30.263 ( -0.734 -1.311 0.562) 1.604 30.263 ( -0.734 1.311 0.562) 1.604 30.536 ( 12.548 -7.477 -2.955) 14.903 30.536 ( 12.548 7.477 -2.955) 14.903 30.885 ( 0.435 -5.592 1.014) 5.699 30.885 ( 0.435 5.592 1.014) 5.699 31.928 ( -5.246 -3.539 0.085) 6.329 31.928 ( -5.246 3.539 0.085) 6.329 ======================= Grid point 105 (58/78) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 11.832 -8.338 7.989) 16.534 1.793 ( 11.832 8.338 7.989) 16.534 2.056 ( 12.655 -12.258 -7.703) 19.229 2.056 ( 12.655 12.258 -7.703) 19.229 2.225 ( 2.153 -4.617 5.281) 7.338 2.225 ( 2.153 4.617 5.281) 7.338 2.441 ( 0.318 -7.567 7.124) 10.398 2.441 ( 0.318 7.567 7.124) 10.398 2.526 ( 8.188 -6.747 -9.628) 14.327 2.526 ( 8.188 6.747 -9.628) 14.327 2.698 ( -3.227 -4.395 5.642) 7.847 2.698 ( -3.227 4.395 5.642) 7.847 2.896 ( 1.427 -3.974 2.790) 5.061 2.896 ( 1.427 3.974 2.790) 5.061 3.018 ( 3.252 -12.130 0.344) 12.563 3.018 ( 3.252 12.130 0.344) 12.563 3.131 ( -3.108 -6.604 -4.906) 8.794 3.131 ( -3.108 6.604 -4.906) 8.794 3.183 ( -1.386 -4.289 4.514) 6.379 3.183 ( -1.386 4.289 4.514) 6.379 3.411 ( 1.526 -2.011 -3.015) 3.933 3.411 ( 1.526 2.011 -3.015) 3.933 3.561 ( 4.608 -3.688 -0.287) 5.909 3.561 ( 4.608 3.688 -0.287) 5.909 3.643 ( 0.230 -3.181 -0.854) 3.302 3.643 ( 0.230 3.181 -0.854) 3.302 3.875 ( 9.419 -5.698 -1.544) 11.116 3.875 ( 9.419 5.698 -1.544) 11.116 3.997 ( 2.404 -6.248 -2.041) 6.998 3.997 ( 2.404 6.248 -2.041) 6.998 4.247 ( -3.590 -3.792 1.861) 5.543 4.247 ( -3.590 3.792 1.861) 5.543 4.363 ( -3.960 -4.575 1.296) 6.188 4.363 ( -3.960 4.575 1.296) 6.188 4.578 ( 5.689 -6.240 -2.300) 8.752 4.578 ( 5.689 6.240 -2.300) 8.752 4.707 ( -0.623 -2.955 0.883) 3.146 4.707 ( -0.623 2.955 0.883) 3.146 4.875 ( 0.625 -2.107 3.604) 4.221 4.875 ( 0.625 2.107 3.604) 4.221 5.019 ( -4.173 -6.646 -5.319) 9.480 5.019 ( -4.173 6.646 -5.319) 9.480 5.154 ( 2.506 -2.963 -3.525) 5.243 5.154 ( 2.506 2.963 -3.525) 5.243 5.308 ( -2.061 -1.790 -1.408) 3.072 5.308 ( -2.061 1.790 -1.408) 3.072 5.414 ( -4.855 -4.049 2.353) 6.745 5.414 ( -4.855 4.049 2.353) 6.745 5.482 ( -3.147 -3.548 -0.243) 4.749 5.482 ( -3.147 3.548 -0.243) 4.749 5.644 ( 3.507 -3.722 0.364) 5.127 5.644 ( 3.507 3.722 0.364) 5.127 5.801 ( 1.975 -2.888 2.573) 4.343 5.801 ( 1.975 2.888 2.573) 4.343 6.000 ( 0.124 -1.458 -2.151) 2.601 6.000 ( 0.124 1.458 -2.151) 2.601 6.099 ( -2.121 -3.463 2.451) 4.743 6.099 ( -2.121 3.463 2.451) 4.743 6.261 ( 3.159 -2.129 -6.834) 7.824 6.261 ( 3.159 2.129 -6.834) 7.824 6.818 ( -0.966 -4.002 -0.731) 4.181 6.818 ( -0.966 4.002 -0.731) 4.181 6.915 ( -1.576 -0.883 -0.057) 1.808 6.915 ( -1.576 0.883 -0.057) 1.808 6.989 ( 1.251 -2.409 4.315) 5.098 6.989 ( 1.251 2.409 4.315) 5.098 7.077 ( -1.209 -5.078 -1.629) 5.469 7.077 ( -1.209 5.078 -1.629) 5.469 7.396 ( 1.603 -0.735 0.671) 1.887 7.396 ( 1.603 0.735 0.671) 1.887 7.555 ( 0.323 -3.594 2.761) 4.544 7.555 ( 0.323 3.594 2.761) 4.544 7.700 ( -1.681 -4.205 -1.777) 4.865 7.700 ( -1.681 4.205 -1.777) 4.865 8.008 ( -3.549 -1.634 0.954) 4.022 8.008 ( -3.549 1.634 0.954) 4.022 8.187 ( -2.406 -1.396 -0.376) 2.807 8.187 ( -2.406 1.396 -0.376) 2.807 8.342 ( -4.136 -3.306 0.665) 5.337 8.342 ( -4.136 3.306 0.665) 5.337 8.656 ( -7.244 -2.334 -0.735) 7.646 8.656 ( -7.244 2.334 -0.735) 7.646 8.759 ( -2.344 -3.406 -2.047) 4.614 8.759 ( -2.344 3.406 -2.047) 4.614 9.763 ( 0.983 -2.024 -1.109) 2.509 9.763 ( 0.983 2.024 -1.109) 2.509 9.961 ( 0.412 -1.658 0.935) 1.948 9.961 ( 0.412 1.658 0.935) 1.948 10.121 ( -0.939 -0.462 5.706) 5.801 10.121 ( -0.939 0.462 5.706) 5.801 10.280 ( -3.173 -2.133 5.075) 6.354 10.280 ( -3.173 2.133 5.075) 6.354 10.613 ( 3.363 -7.189 0.703) 7.968 10.613 ( 3.363 7.189 0.703) 7.968 10.948 ( 1.654 -7.675 3.657) 8.661 10.948 ( 1.654 7.675 3.657) 8.661 11.251 ( 2.508 -2.330 -0.996) 3.565 11.251 ( 2.508 2.330 -0.996) 3.565 11.320 ( 3.720 -1.844 -1.649) 4.468 11.320 ( 3.720 1.844 -1.649) 4.468 11.524 ( 4.129 -1.449 -3.506) 5.607 11.524 ( 4.129 1.449 -3.506) 5.607 11.723 ( 3.146 -2.998 -1.850) 4.723 11.723 ( 3.146 2.998 -1.850) 4.723 11.970 ( -2.266 -1.912 -1.740) 3.438 11.970 ( -2.266 1.912 -1.740) 3.438 12.073 ( 0.646 -6.277 2.576) 6.816 12.073 ( 0.646 6.277 2.576) 6.816 12.209 ( 3.180 -4.566 -0.630) 5.600 12.209 ( 3.180 4.566 -0.630) 5.600 12.544 ( 4.805 -7.469 -8.266) 12.133 12.544 ( 4.805 7.469 -8.266) 12.133 12.952 ( -1.477 -3.083 1.909) 3.916 12.952 ( -1.477 3.083 1.909) 3.916 13.181 ( 0.911 -3.782 -8.179) 9.057 13.181 ( 0.911 3.782 -8.179) 9.057 13.579 ( -3.942 -1.348 -5.812) 7.152 13.579 ( -3.942 1.348 -5.812) 7.152 13.700 ( -2.530 -4.249 6.715) 8.339 13.700 ( -2.530 4.249 6.715) 8.339 14.307 ( -5.793 -8.242 -0.427) 10.083 14.307 ( -5.793 8.242 -0.427) 10.083 14.664 ( 0.792 -0.927 4.864) 5.015 14.664 ( 0.792 0.927 4.864) 5.015 16.038 ( -0.226 -2.795 0.110) 2.806 16.038 ( -0.226 2.795 0.110) 2.806 16.223 ( 2.643 -0.923 -0.091) 2.801 16.223 ( 2.643 0.923 -0.091) 2.801 16.510 ( 0.536 -1.119 1.470) 1.923 16.510 ( 0.536 1.119 1.470) 1.923 16.637 ( 0.614 -0.953 0.803) 1.390 16.637 ( 0.614 0.953 0.803) 1.390 17.335 ( -3.571 -0.376 0.147) 3.594 17.335 ( -3.571 0.376 0.147) 3.594 17.444 ( -5.219 -2.663 2.889) 6.533 17.444 ( -5.219 2.663 2.889) 6.533 19.205 ( 13.580 -1.582 0.449) 13.680 19.205 ( 13.580 1.582 0.449) 13.680 19.486 ( 16.993 -1.305 -1.704) 17.128 19.486 ( 16.993 1.305 -1.704) 17.128 20.471 ( -4.900 -1.439 1.782) 5.409 20.471 ( -4.900 1.439 1.782) 5.409 20.882 ( -7.103 -4.081 -1.215) 8.281 20.882 ( -7.103 4.081 -1.215) 8.281 22.056 ( -1.302 -1.870 0.418) 2.316 22.056 ( -1.302 1.870 0.418) 2.316 22.465 ( -0.652 -4.374 -0.163) 4.425 22.465 ( -0.652 4.374 -0.163) 4.425 22.609 ( -1.796 -2.749 0.066) 3.285 22.609 ( -1.796 2.749 0.066) 3.285 22.685 ( -1.079 -0.826 0.423) 1.423 22.685 ( -1.079 0.826 0.423) 1.423 27.311 ( -0.792 -0.833 2.085) 2.381 27.311 ( -0.792 0.833 2.085) 2.381 27.441 ( -0.477 -1.927 -0.824) 2.150 27.441 ( -0.477 1.927 -0.824) 2.150 28.781 ( -2.899 -2.981 4.068) 5.817 28.781 ( -2.899 2.981 4.068) 5.817 29.111 ( -2.295 -6.739 -1.111) 7.205 29.111 ( -2.295 6.739 -1.111) 7.205 30.275 ( 0.980 -1.694 0.878) 2.145 30.275 ( 0.980 1.694 0.878) 2.145 30.718 ( 9.868 -7.763 -2.995) 12.908 30.718 ( 9.868 7.763 -2.995) 12.908 30.914 ( 2.588 -7.218 0.486) 7.683 30.914 ( 2.588 7.218 0.486) 7.683 31.805 ( -6.955 -2.078 -1.806) 7.480 31.805 ( -6.955 2.078 -1.806) 7.480 ======================= Grid point 107 (59/78) ======================= q-point: ( 0.38 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -3.666 -6.984 6.322) 10.108 1.941 ( -3.666 6.984 6.322) 10.108 2.129 ( 4.242 -5.097 -5.654) 8.715 2.129 ( 4.242 5.097 -5.654) 8.715 2.307 ( 2.944 -3.279 2.561) 5.097 2.307 ( 2.944 3.279 2.561) 5.097 2.449 ( -2.497 -3.778 -6.057) 7.562 2.449 ( -2.497 3.778 -6.057) 7.562 2.606 ( 2.974 -4.251 4.000) 6.551 2.606 ( 2.974 4.251 4.000) 6.551 2.763 ( 6.139 -5.004 0.687) 7.950 2.763 ( 6.139 5.004 0.687) 7.950 2.886 ( -2.815 -3.928 -2.628) 5.501 2.886 ( -2.815 3.928 -2.628) 5.501 2.995 ( 2.212 -2.038 -1.302) 3.277 2.995 ( 2.212 2.038 -1.302) 3.277 3.177 ( 8.623 -1.003 -1.036) 8.743 3.177 ( 8.623 1.003 -1.036) 8.743 3.270 ( 0.946 -5.313 6.801) 8.682 3.270 ( 0.946 5.313 6.801) 8.682 3.421 ( 3.941 -1.582 -1.313) 4.445 3.421 ( 3.941 1.582 -1.313) 4.445 3.597 ( -1.196 -3.371 -1.828) 4.017 3.597 ( -1.196 3.371 -1.828) 4.017 3.637 ( 0.609 -3.780 -0.750) 3.901 3.637 ( 0.609 3.780 -0.750) 3.901 3.977 ( 3.042 -1.529 -1.487) 3.715 3.977 ( 3.042 1.529 -1.487) 3.715 4.044 ( 1.991 -5.475 -2.056) 6.178 4.044 ( 1.991 5.475 -2.056) 6.178 4.186 ( -2.099 -1.564 2.090) 3.349 4.186 ( -2.099 1.564 2.090) 3.349 4.321 ( -1.044 -3.081 1.599) 3.625 4.321 ( -1.044 3.081 1.599) 3.625 4.684 ( 1.558 -4.093 4.063) 5.974 4.684 ( 1.558 4.093 4.063) 5.974 4.725 ( 6.337 -2.302 -4.707) 8.223 4.725 ( 6.337 2.302 -4.707) 8.223 4.893 ( -1.130 -4.028 1.198) 4.351 4.893 ( -1.130 4.028 1.198) 4.351 4.920 ( -1.729 -7.354 -2.743) 8.037 4.920 ( -1.729 7.354 -2.743) 8.037 5.091 ( -4.319 -2.182 -3.921) 6.228 5.091 ( -4.319 2.182 -3.921) 6.228 5.276 ( -2.677 -2.287 1.319) 3.760 5.276 ( -2.677 2.287 1.319) 3.760 5.372 ( -2.064 -3.844 -2.631) 5.095 5.372 ( -2.064 3.844 -2.631) 5.095 5.467 ( 2.218 -5.406 3.989) 7.075 5.467 ( 2.218 5.406 3.989) 7.075 5.687 ( 1.276 -2.864 -1.207) 3.360 5.687 ( 1.276 2.864 -1.207) 3.360 5.837 ( -1.302 -2.800 0.912) 3.219 5.837 ( -1.302 2.800 0.912) 3.219 5.966 ( -0.737 -3.382 -1.274) 3.688 5.966 ( -0.737 3.382 -1.274) 3.688 6.103 ( -1.593 -4.067 5.832) 7.286 6.103 ( -1.593 4.067 5.832) 7.286 6.288 ( 5.763 -0.837 -4.141) 7.145 6.288 ( 5.763 0.837 -4.141) 7.145 6.750 ( -2.723 -3.777 -0.974) 4.757 6.750 ( -2.723 3.777 -0.974) 4.757 6.945 ( 0.696 -1.454 1.884) 2.479 6.945 ( 0.696 1.454 1.884) 2.479 7.003 ( -1.238 -4.012 -1.960) 4.633 7.003 ( -1.238 4.012 -1.960) 4.633 7.105 ( 3.394 -3.916 2.192) 5.627 7.105 ( 3.394 3.916 2.192) 5.627 7.357 ( -2.371 -2.607 -1.700) 3.912 7.357 ( -2.371 2.607 -1.700) 3.912 7.609 ( -0.966 -5.232 0.470) 5.341 7.609 ( -0.966 5.232 0.470) 5.341 7.676 ( 1.641 -5.068 -0.273) 5.334 7.676 ( 1.641 5.068 -0.273) 5.334 7.924 ( -4.018 -1.499 0.354) 4.303 7.924 ( -4.018 1.499 0.354) 4.303 8.149 ( -2.046 -1.969 -0.037) 2.839 8.149 ( -2.046 1.969 -0.037) 2.839 8.293 ( -1.410 -0.865 0.123) 1.658 8.293 ( -1.410 0.865 0.123) 1.658 8.527 ( -6.045 -2.461 -0.398) 6.539 8.527 ( -6.045 2.461 -0.398) 6.539 8.713 ( -1.483 -2.860 -0.827) 3.326 8.713 ( -1.483 2.860 -0.827) 3.326 9.770 ( 0.859 -2.727 -0.503) 2.903 9.770 ( 0.859 2.727 -0.503) 2.903 9.977 ( -0.354 -1.442 0.653) 1.622 9.977 ( -0.354 1.442 0.653) 1.622 10.126 ( -1.354 -1.971 1.378) 2.760 10.126 ( -1.354 1.971 1.378) 2.760 10.300 ( -0.154 -1.987 5.431) 5.785 10.300 ( -0.154 1.987 5.431) 5.785 10.713 ( 4.797 -6.812 4.956) 9.694 10.713 ( 4.797 6.812 4.956) 9.694 10.995 ( -0.846 -7.841 3.648) 8.690 10.995 ( -0.846 7.841 3.648) 8.690 11.261 ( 0.214 -1.236 0.420) 1.323 11.261 ( 0.214 1.236 0.420) 1.323 11.359 ( 1.802 -4.975 -0.013) 5.291 11.359 ( 1.802 4.975 -0.013) 5.291 11.594 ( 3.250 -1.355 0.465) 3.552 11.594 ( 3.250 1.355 0.465) 3.552 11.715 ( 0.007 -4.511 -3.884) 5.953 11.715 ( 0.007 4.511 -3.884) 5.953 11.887 ( -3.139 -0.660 -3.450) 4.711 11.887 ( -3.139 0.660 -3.450) 4.711 12.141 ( 3.067 -6.119 2.951) 7.454 12.141 ( 3.067 6.119 2.951) 7.454 12.254 ( 2.366 -4.136 -0.755) 4.825 12.254 ( 2.366 4.136 -0.755) 4.825 12.557 ( 5.417 -8.756 -10.458) 14.676 12.557 ( 5.417 8.756 -10.458) 14.676 12.925 ( -1.735 -1.563 -1.346) 2.695 12.925 ( -1.735 1.563 -1.346) 2.695 13.164 ( 3.685 -4.382 -5.160) 7.707 13.164 ( 3.685 4.382 -5.160) 7.707 13.405 ( -7.262 -2.664 -4.706) 9.054 13.405 ( -7.262 2.664 -4.706) 9.054 13.718 ( -2.328 -4.087 1.978) 5.103 13.718 ( -2.328 4.087 1.978) 5.103 14.198 ( -3.602 -6.292 -2.063) 7.538 14.198 ( -3.602 6.292 -2.063) 7.538 14.757 ( 2.270 -1.976 7.498) 8.080 14.757 ( 2.270 1.976 7.498) 8.080 16.035 ( -0.087 -2.574 -0.398) 2.606 16.035 ( -0.087 2.574 -0.398) 2.606 16.256 ( 1.067 -1.162 0.239) 1.596 16.256 ( 1.067 1.162 0.239) 1.596 16.534 ( 0.315 -0.997 1.905) 2.173 16.534 ( 0.315 0.997 1.905) 2.173 16.653 ( 0.162 -0.663 0.866) 1.103 16.653 ( 0.162 0.663 0.866) 1.103 17.288 ( -1.785 -0.432 -0.033) 1.837 17.288 ( -1.785 0.432 -0.033) 1.837 17.381 ( -3.862 -1.871 2.032) 4.748 17.381 ( -3.862 1.871 2.032) 4.748 19.438 ( 10.508 -1.667 0.271) 10.643 19.438 ( 10.508 1.667 0.271) 10.643 19.771 ( 14.746 -1.176 0.874) 14.819 19.771 ( 14.746 1.176 0.874) 14.819 20.398 ( -5.067 -1.807 2.639) 5.992 20.398 ( -5.067 1.807 2.639) 5.992 20.741 ( -6.388 -4.365 -2.256) 8.060 20.741 ( -6.388 4.365 -2.256) 8.060 22.045 ( -0.550 -2.404 0.747) 2.576 22.045 ( -0.550 2.404 0.747) 2.576 22.439 ( -1.298 -5.117 -1.212) 5.417 22.439 ( -1.298 5.117 -1.212) 5.417 22.589 ( -0.767 -1.936 0.706) 2.199 22.589 ( -0.767 1.936 0.706) 2.199 22.666 ( -1.212 -1.149 0.169) 1.678 22.666 ( -1.212 1.149 0.169) 1.678 27.318 ( -0.586 -0.846 2.142) 2.376 27.318 ( -0.586 0.846 2.142) 2.376 27.424 ( -0.394 -1.366 -1.078) 1.784 27.424 ( -0.394 1.366 -1.078) 1.784 28.771 ( -2.334 -2.772 4.197) 5.545 28.771 ( -2.334 2.772 4.197) 5.545 29.069 ( -1.062 -4.931 -1.402) 5.235 29.069 ( -1.062 4.931 -1.402) 5.235 30.303 ( 0.819 -1.967 1.399) 2.549 30.303 ( 0.819 1.967 1.399) 2.549 30.807 ( 2.879 -5.391 -1.649) 6.330 30.807 ( 2.879 5.391 -1.649) 6.330 30.988 ( 4.636 -7.713 -0.190) 9.001 30.988 ( 4.636 7.713 -0.190) 9.001 31.675 ( -4.436 -1.770 -3.375) 5.848 31.675 ( -4.436 1.770 -3.375) 5.848 ======================= Grid point 109 (60/78) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -13.562 -8.674 9.701) 18.796 1.838 ( -13.562 8.674 9.701) 18.796 2.154 ( 0.396 -3.485 -2.075) 4.076 2.154 ( 0.396 3.485 -2.075) 4.076 2.284 ( -6.715 -5.501 -2.451) 9.020 2.284 ( -6.715 5.501 -2.451) 9.020 2.373 ( 2.180 -4.352 -0.034) 4.867 2.373 ( 2.180 4.352 -0.034) 4.867 2.631 ( 0.363 -4.936 -3.995) 6.360 2.631 ( 0.363 4.936 -3.995) 6.360 2.744 ( -1.981 -1.733 -1.944) 3.272 2.744 ( -1.981 1.733 -1.944) 3.272 2.955 ( 3.970 -0.119 1.898) 4.402 2.955 ( 3.970 0.119 1.898) 4.401 3.082 ( 6.718 -4.003 -1.962) 8.062 3.082 ( 6.718 4.003 -1.962) 8.062 3.257 ( -2.093 -2.472 1.331) 3.502 3.257 ( -2.093 2.472 1.331) 3.502 3.301 ( -1.966 -2.077 3.988) 4.908 3.301 ( -1.966 2.077 3.988) 4.908 3.514 ( 2.444 -7.479 -0.467) 7.882 3.514 ( 2.444 7.479 -0.467) 7.882 3.541 ( -1.232 -4.998 -1.412) 5.338 3.541 ( -1.232 4.998 -1.412) 5.338 3.656 ( 6.584 -9.690 -1.401) 11.799 3.656 ( 6.584 9.690 -1.401) 11.799 3.897 ( -6.845 -3.911 -4.924) 9.294 3.897 ( -6.845 3.911 -4.924) 9.294 4.046 ( -4.794 -6.511 6.760) 10.539 4.046 ( -4.794 6.511 6.760) 10.539 4.235 ( 3.729 -3.607 0.460) 5.208 4.235 ( 3.729 3.607 0.460) 5.208 4.351 ( 2.950 -3.699 -1.539) 4.975 4.351 ( 2.950 3.699 -1.539) 4.975 4.693 ( -3.890 -2.186 -2.428) 5.080 4.693 ( -3.890 2.186 -2.428) 5.080 4.743 ( -0.030 -0.473 1.543) 1.614 4.743 ( -0.030 0.473 1.543) 1.614 4.879 ( 0.568 -4.552 0.069) 4.588 4.879 ( 0.568 4.552 0.069) 4.588 4.925 ( 1.728 -5.512 -1.502) 5.969 4.925 ( 1.728 5.512 -1.502) 5.969 5.047 ( 0.716 -5.277 1.744) 5.603 5.047 ( 0.716 5.277 1.744) 5.603 5.221 ( 0.293 -4.062 -3.208) 5.185 5.221 ( 0.293 4.062 -3.208) 5.185 5.349 ( 2.576 -5.124 -2.266) 6.166 5.349 ( 2.576 5.124 -2.266) 6.166 5.539 ( 2.137 -4.984 0.995) 5.513 5.539 ( 2.137 4.984 0.995) 5.513 5.722 ( 1.511 -1.182 -0.053) 1.919 5.722 ( 1.511 1.182 -0.053) 1.919 5.765 ( -1.624 -3.738 -2.529) 4.796 5.765 ( -1.625 3.738 -2.529) 4.796 5.952 ( -2.121 -2.924 0.860) 3.713 5.952 ( -2.121 2.924 0.860) 3.713 6.145 ( -0.390 -2.543 7.696) 8.114 6.145 ( -0.390 2.543 7.696) 8.114 6.358 ( 3.975 -2.425 -2.550) 5.309 6.358 ( 3.975 2.425 -2.550) 5.309 6.734 ( 1.177 -3.153 -0.012) 3.366 6.734 ( 1.177 3.153 -0.012) 3.366 6.930 ( -3.356 -1.531 1.200) 3.878 6.930 ( -3.356 1.531 1.200) 3.878 6.979 ( 0.732 -1.882 -3.114) 3.711 6.979 ( 0.732 1.882 -3.114) 3.711 7.126 ( -0.481 -3.847 -2.007) 4.366 7.126 ( -0.481 3.847 -2.007) 4.366 7.377 ( 3.551 -1.878 3.411) 5.270 7.377 ( 3.551 1.878 3.411) 5.270 7.512 ( -6.248 -3.541 -1.910) 7.432 7.512 ( -6.248 3.541 -1.910) 7.432 7.730 ( 2.853 -2.043 -0.522) 3.548 7.730 ( 2.853 2.043 -0.522) 3.548 7.897 ( -0.473 -2.044 0.721) 2.218 7.897 ( -0.473 2.044 0.721) 2.218 8.120 ( -1.103 -1.494 0.577) 1.945 8.120 ( -1.103 1.494 0.577) 1.945 8.288 ( 0.857 -0.998 -0.722) 1.500 8.288 ( 0.857 0.998 -0.722) 1.500 8.459 ( -1.335 -1.032 0.738) 1.841 8.459 ( -1.335 1.032 0.738) 1.841 8.695 ( 0.475 -0.770 -0.621) 1.098 8.695 ( 0.475 0.770 -0.621) 1.098 9.779 ( -0.467 -3.139 0.830) 3.280 9.779 ( -0.467 3.139 0.830) 3.280 9.961 ( -1.088 -2.424 -0.336) 2.678 9.961 ( -1.088 2.424 -0.336) 2.678 10.123 ( 0.779 -1.572 0.117) 1.759 10.123 ( 0.779 1.572 0.117) 1.759 10.352 ( 1.011 -0.728 3.467) 3.684 10.352 ( 1.011 0.728 3.467) 3.684 10.848 ( 2.757 -3.157 7.697) 8.764 10.848 ( 2.757 3.157 7.697) 8.764 10.968 ( -4.345 -5.471 1.982) 7.262 10.968 ( -4.345 5.471 1.982) 7.262 11.264 ( -1.414 -1.520 1.021) 2.313 11.264 ( -1.414 1.520 1.021) 2.313 11.403 ( 3.368 -4.898 0.558) 5.971 11.403 ( 3.368 4.898 0.558) 5.971 11.605 ( -1.188 -2.594 -1.623) 3.283 11.605 ( -1.188 2.594 -1.623) 3.283 11.690 ( -0.224 -4.681 -0.791) 4.753 11.690 ( -0.224 4.681 -0.791) 4.753 11.833 ( -0.851 -2.872 -0.490) 3.036 11.833 ( -0.851 2.872 -0.490) 3.036 12.195 ( 0.816 -6.709 0.986) 6.830 12.195 ( 0.816 6.709 0.986) 6.830 12.291 ( 3.526 -6.080 -3.565) 7.880 12.291 ( 3.526 6.080 -3.565) 7.880 12.536 ( 3.472 -6.910 -11.054) 13.490 12.536 ( 3.472 6.910 -11.054) 13.490 12.878 ( -1.614 -1.937 -2.198) 3.345 12.878 ( -1.614 1.937 -2.198) 3.345 13.149 ( -2.900 -2.139 -3.360) 4.927 13.149 ( -2.900 2.139 -3.360) 4.927 13.335 ( 2.264 -5.961 1.231) 6.494 13.335 ( 2.264 5.961 1.231) 6.494 13.654 ( -1.005 -4.066 -5.869) 7.210 13.654 ( -1.005 4.066 -5.869) 7.210 14.161 ( -0.757 -3.416 1.285) 3.727 14.161 ( -0.757 3.416 1.285) 3.727 14.843 ( -0.382 -2.407 6.602) 7.037 14.843 ( -0.382 2.407 6.602) 7.037 16.027 ( -0.389 -2.157 -0.401) 2.229 16.027 ( -0.389 2.157 -0.401) 2.229 16.267 ( -0.186 -1.254 0.431) 1.339 16.267 ( -0.186 1.254 0.431) 1.339 16.551 ( -0.358 -1.174 1.799) 2.178 16.551 ( -0.358 1.174 1.799) 2.178 16.659 ( -0.016 -0.855 0.567) 1.026 16.659 ( -0.016 0.855 0.567) 1.026 17.262 ( -1.951 -1.243 0.949) 2.501 17.262 ( -1.951 1.243 0.949) 2.501 17.357 ( -0.312 -0.160 1.268) 1.315 17.357 ( -0.312 0.160 1.268) 1.315 19.532 ( -0.830 -0.526 0.165) 0.997 19.532 ( -0.830 0.526 0.165) 0.997 19.973 ( 5.097 -2.521 0.722) 5.732 19.973 ( 5.097 2.521 0.722) 5.732 20.358 ( -2.254 -3.498 3.810) 5.642 20.358 ( -2.254 3.498 3.810) 5.642 20.649 ( 0.099 -4.399 -3.203) 5.442 20.649 ( 0.099 4.399 -3.203) 5.442 22.048 ( 0.154 -1.273 0.703) 1.462 22.048 ( 0.154 1.273 0.703) 1.462 22.408 ( -0.823 -3.359 -1.042) 3.612 22.408 ( -0.823 3.359 -1.042) 3.612 22.596 ( 0.505 -1.951 1.263) 2.379 22.596 ( 0.505 1.951 1.263) 2.379 22.651 ( 0.021 -1.990 -0.762) 2.132 22.651 ( 0.021 1.990 -0.762) 2.132 27.326 ( -0.805 -0.981 2.226) 2.562 27.326 ( -0.805 0.981 2.226) 2.562 27.413 ( 0.404 -0.935 -1.259) 1.620 27.413 ( 0.404 0.935 -1.259) 1.620 28.772 ( -1.832 -2.261 4.339) 5.224 28.772 ( -1.832 2.261 4.339) 5.224 29.055 ( 1.381 -4.020 -1.930) 4.668 29.055 ( 1.381 4.020 -1.930) 4.668 30.323 ( -0.029 -1.516 1.450) 2.098 30.323 ( -0.029 1.516 1.450) 2.098 30.818 ( 0.232 -3.845 -1.422) 4.106 30.818 ( 0.232 3.845 -1.422) 4.106 31.033 ( -0.251 -6.275 0.278) 6.286 31.033 ( -0.251 6.275 0.278) 6.286 31.604 ( 0.136 -1.794 -3.670) 4.087 31.604 ( 0.136 1.794 -3.670) 4.087 ======================= Grid point 111 (61/78) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -14.894 -8.711 14.310) 22.417 1.685 ( -14.894 8.711 14.310) 22.417 1.994 ( -13.200 -13.530 2.147) 19.024 1.994 ( -13.200 13.530 2.147) 19.024 2.271 ( -0.847 -3.817 7.274) 8.258 2.271 ( -0.847 3.817 7.274) 8.258 2.434 ( 3.834 -4.338 -3.586) 6.810 2.434 ( 3.834 4.338 -3.586) 6.810 2.604 ( 2.129 -2.250 -4.289) 5.291 2.604 ( 2.129 2.250 -4.289) 5.291 2.699 ( -3.098 -0.963 1.176) 3.451 2.699 ( -3.098 0.963 1.176) 3.451 2.954 ( -2.414 -3.719 -4.965) 6.656 2.954 ( -2.414 3.719 -4.965) 6.656 3.094 ( -13.165 -2.558 2.053) 13.567 3.094 ( -13.165 2.558 2.053) 13.567 3.139 ( 0.427 -3.545 -2.823) 4.552 3.139 ( 0.427 3.545 -2.823) 4.552 3.315 ( 1.046 -3.877 1.750) 4.380 3.315 ( 1.046 3.877 1.750) 4.380 3.495 ( -1.604 -4.786 1.157) 5.178 3.495 ( -1.604 4.786 1.157) 5.178 3.576 ( 0.813 -7.560 -2.926) 8.147 3.576 ( 0.813 7.560 -2.926) 8.147 3.697 ( -5.022 -6.146 -0.946) 7.993 3.697 ( -5.022 6.146 -0.946) 7.993 3.817 ( 4.068 -7.180 -0.600) 8.274 3.817 ( 4.068 7.180 -0.600) 8.274 3.977 ( -7.745 -11.361 4.983) 14.624 3.977 ( -7.745 11.361 4.983) 14.624 4.222 ( -4.371 -2.807 -1.753) 5.483 4.222 ( -4.371 2.807 -1.753) 5.483 4.386 ( 4.275 -2.548 -3.150) 5.889 4.386 ( 4.275 2.548 -3.150) 5.889 4.557 ( -6.464 -4.506 -0.288) 7.884 4.557 ( -6.464 4.506 -0.288) 7.884 4.777 ( 0.309 -1.392 0.464) 1.500 4.777 ( 0.309 1.392 0.464) 1.500 4.903 ( 1.375 -3.199 0.526) 3.522 4.903 ( 1.375 3.199 0.526) 3.522 4.976 ( 6.044 -1.985 -2.656) 6.894 4.976 ( 6.044 1.985 -2.656) 6.894 5.095 ( 5.537 -4.899 0.545) 7.413 5.095 ( 5.537 4.899 0.545) 7.413 5.271 ( 5.137 -2.149 -1.023) 5.662 5.271 ( 5.137 2.149 -1.023) 5.662 5.391 ( 1.669 -8.836 -1.606) 9.135 5.391 ( 1.669 8.836 -1.606) 9.135 5.558 ( 1.366 -0.820 -2.314) 2.809 5.558 ( 1.366 0.820 -2.314) 2.809 5.682 ( 0.857 -5.306 -1.280) 5.525 5.682 ( 0.857 5.306 -1.280) 5.525 5.827 ( 2.670 -2.583 1.067) 3.865 5.827 ( 2.670 2.583 1.067) 3.865 5.913 ( -2.204 -4.422 2.157) 5.391 5.913 ( -2.204 4.422 2.157) 5.391 6.192 ( -1.499 -1.499 3.850) 4.395 6.192 ( -1.499 1.499 3.850) 4.395 6.368 ( 1.382 -1.870 -4.844) 5.373 6.368 ( 1.382 1.870 -4.844) 5.373 6.754 ( 0.325 -1.575 -0.551) 1.700 6.754 ( 0.325 1.575 -0.551) 1.700 6.872 ( -3.967 -3.011 1.632) 5.241 6.872 ( -3.967 3.011 1.632) 5.241 6.974 ( 1.782 -2.531 -1.372) 3.386 6.974 ( 1.782 2.531 -1.372) 3.386 7.130 ( 2.324 -4.109 0.310) 4.731 7.130 ( 2.324 4.109 0.310) 4.731 7.393 ( -3.846 -1.806 -1.454) 4.491 7.393 ( -3.846 1.806 -1.454) 4.491 7.495 ( 3.537 -4.332 4.884) 7.425 7.495 ( 3.537 4.332 4.884) 7.425 7.732 ( -1.369 -5.297 -2.797) 6.144 7.732 ( -1.369 5.297 -2.797) 6.144 7.919 ( 2.752 -3.381 0.601) 4.400 7.919 ( 2.752 3.381 0.601) 4.400 8.118 ( -0.251 -1.257 1.187) 1.747 8.118 ( -0.251 1.257 1.187) 1.747 8.314 ( 2.968 -2.106 -1.114) 3.806 8.314 ( 2.968 2.106 -1.114) 3.806 8.489 ( 3.523 -2.487 1.210) 4.479 8.489 ( 3.523 2.487 1.210) 4.479 8.724 ( 3.115 -1.551 -0.528) 3.520 8.724 ( 3.115 1.551 -0.528) 3.520 9.764 ( -1.692 -2.239 0.999) 2.980 9.764 ( -1.692 2.239 0.999) 2.980 9.945 ( -0.624 -2.089 -0.236) 2.193 9.945 ( -0.624 2.089 -0.236) 2.193 10.158 ( 2.483 -0.555 0.810) 2.671 10.158 ( 2.483 0.555 0.810) 2.671 10.389 ( 1.143 -0.558 0.535) 1.380 10.389 ( 1.143 0.558 0.535) 1.380 10.823 ( -8.909 -1.431 4.187) 9.948 10.823 ( -8.909 1.431 4.187) 9.948 11.000 ( 2.575 -4.427 4.314) 6.696 11.000 ( 2.575 4.427 4.314) 6.696 11.230 ( -2.674 -3.367 1.417) 4.527 11.230 ( -2.674 3.367 1.417) 4.527 11.456 ( 0.389 -1.813 -3.714) 4.151 11.456 ( 0.389 1.813 -3.714) 4.151 11.544 ( -2.514 -4.586 0.429) 5.247 11.544 ( -2.514 4.586 0.429) 5.247 11.713 ( 2.486 -7.301 1.660) 7.889 11.713 ( 2.486 7.301 1.660) 7.889 11.829 ( -0.488 -2.556 2.193) 3.403 11.829 ( -0.488 2.556 2.193) 3.403 12.178 ( -0.570 -0.510 -8.738) 8.771 12.178 ( -0.570 0.510 -8.738) 8.771 12.272 ( -0.549 -5.207 -5.652) 7.704 12.272 ( -0.549 5.207 -5.652) 7.704 12.536 ( 5.613 -1.248 -5.663) 8.071 12.536 ( 5.613 1.248 -5.663) 8.071 12.835 ( -1.805 -0.387 0.099) 1.848 12.835 ( -1.805 0.387 0.099) 1.848 13.073 ( -3.729 -4.098 2.233) 5.974 13.073 ( -3.729 4.098 2.233) 5.974 13.367 ( 0.300 -4.907 -3.414) 5.985 13.367 ( 0.300 4.907 -3.414) 5.985 13.690 ( 9.970 -6.523 -0.568) 11.928 13.690 ( 9.970 6.523 -0.568) 11.928 14.165 ( -0.756 -3.135 1.576) 3.589 14.165 ( -0.756 3.135 1.576) 3.589 14.848 ( -4.449 -2.541 4.110) 6.569 14.848 ( -4.449 2.541 4.110) 6.569 16.016 ( -0.567 -1.480 0.080) 1.587 16.016 ( -0.567 1.480 0.080) 1.587 16.259 ( -1.187 -1.098 0.440) 1.676 16.259 ( -1.187 1.098 0.440) 1.676 16.553 ( -0.886 -1.590 1.227) 2.195 16.553 ( -0.886 1.590 1.227) 2.195 16.668 ( 0.403 -1.228 0.496) 1.384 16.668 ( 0.403 1.228 0.496) 1.384 17.238 ( -1.800 -1.707 1.878) 3.112 17.238 ( -1.800 1.707 1.878) 3.112 17.388 ( 2.227 -0.943 1.348) 2.769 17.388 ( 2.227 0.943 1.348) 2.769 19.424 ( -10.526 -2.522 0.548) 10.838 19.424 ( -10.526 2.522 0.548) 10.838 19.902 ( -11.402 -5.731 -3.153) 13.145 19.902 ( -11.402 5.731 -3.153) 13.145 20.399 ( 3.040 -3.955 3.015) 5.829 20.399 ( 3.040 3.955 3.015) 5.829 20.705 ( 7.548 -2.874 -1.600) 8.233 20.705 ( 7.548 2.874 -1.600) 8.233 22.060 ( 0.574 -2.082 0.268) 2.176 22.060 ( 0.574 2.082 0.268) 2.176 22.398 ( 0.142 -0.528 0.223) 0.590 22.398 ( 0.142 0.528 0.223) 0.590 22.616 ( 0.527 -2.190 0.340) 2.279 22.616 ( 0.527 2.190 0.340) 2.279 22.671 ( 3.289 -3.248 -0.504) 4.650 22.671 ( 3.289 3.248 -0.504) 4.650 27.325 ( -1.283 -1.003 1.834) 2.453 27.325 ( -1.283 1.003 1.834) 2.453 27.421 ( 1.558 -0.778 -0.900) 1.960 27.421 ( 1.558 0.778 -0.900) 1.960 28.781 ( -1.466 -1.673 4.175) 4.731 28.781 ( -1.466 1.673 4.175) 4.731 29.091 ( 4.827 -3.788 -2.086) 6.481 29.091 ( 4.827 3.788 -2.086) 6.481 30.326 ( -0.895 -0.633 0.956) 1.454 30.326 ( -0.895 0.633 0.956) 1.454 30.786 ( -2.677 -2.017 -2.114) 3.963 30.786 ( -2.677 2.017 -2.114) 3.963 30.986 ( -4.976 -3.359 0.857) 6.064 30.986 ( -4.976 3.359 0.857) 6.064 31.618 ( 4.286 -2.730 -1.921) 5.433 31.618 ( 4.286 2.730 -1.921) 5.433 ======================= Grid point 113 (62/78) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -12.457 -12.520 15.584) 23.555 1.577 ( -12.457 12.520 15.584) 23.555 1.829 ( -12.380 -17.681 13.798) 25.617 1.829 ( -12.380 17.681 13.798) 25.617 2.269 ( -11.219 -1.882 -4.097) 12.091 2.269 ( -11.219 1.882 -4.097) 12.091 2.367 ( -1.436 -3.621 2.878) 4.843 2.367 ( -1.436 3.621 2.878) 4.843 2.585 ( -1.744 -2.893 -3.739) 5.039 2.585 ( -1.744 2.893 -3.739) 5.039 2.659 ( -6.855 -6.502 4.155) 10.321 2.659 ( -6.855 6.502 4.155) 10.321 2.869 ( 0.446 -7.057 1.977) 7.342 2.869 ( 0.446 7.057 1.977) 7.342 2.975 ( -0.849 -5.056 -1.475) 5.334 2.975 ( -0.849 5.056 -1.475) 5.334 3.092 ( -3.395 -2.387 0.595) 4.192 3.092 ( -3.395 2.387 0.595) 4.192 3.338 ( -1.232 -2.455 0.489) 2.790 3.338 ( -1.232 2.455 0.489) 2.790 3.388 ( -10.956 -8.629 1.711) 14.051 3.388 ( -10.956 8.629 1.711) 14.051 3.531 ( 0.680 -5.239 -5.161) 7.386 3.531 ( 0.680 5.239 -5.161) 7.386 3.591 ( -6.977 -6.654 1.464) 9.752 3.591 ( -6.977 6.654 1.464) 9.752 3.824 ( -2.200 -1.875 -4.541) 5.383 3.824 ( -2.200 1.875 -4.541) 5.383 3.944 ( 2.592 -1.791 0.245) 3.160 3.944 ( 2.592 1.791 0.245) 3.160 4.165 ( 0.010 -2.299 2.492) 3.390 4.165 ( 0.010 2.299 2.492) 3.390 4.438 ( -2.859 -7.255 -0.924) 7.853 4.438 ( -2.859 7.255 -0.924) 7.853 4.502 ( 5.420 -1.347 0.210) 5.589 4.502 ( 5.420 1.347 0.210) 5.589 4.779 ( 0.658 -2.491 -0.736) 2.679 4.779 ( 0.658 2.491 -0.736) 2.679 4.943 ( 3.155 -3.793 -1.473) 5.149 4.943 ( 3.155 3.793 -1.473) 5.149 5.041 ( 2.326 -1.810 -2.131) 3.637 5.041 ( 2.326 1.810 -2.131) 3.637 5.175 ( 2.145 -2.432 -1.465) 3.558 5.175 ( 2.145 2.432 -1.465) 3.558 5.339 ( 3.516 -1.067 -3.793) 5.281 5.339 ( 3.516 1.067 -3.793) 5.281 5.409 ( 2.884 -3.550 0.497) 4.601 5.409 ( 2.884 3.550 0.497) 4.601 5.560 ( 2.090 -2.030 -2.140) 3.615 5.560 ( 2.090 2.030 -2.140) 3.615 5.695 ( 0.186 -5.709 -0.899) 5.782 5.695 ( 0.186 5.709 -0.899) 5.782 5.878 ( 1.953 -4.388 1.347) 4.989 5.878 ( 1.953 4.388 1.347) 4.989 5.917 ( -0.751 -2.905 3.029) 4.264 5.917 ( -0.751 2.905 3.029) 4.264 6.142 ( -3.032 -1.069 -3.273) 4.588 6.142 ( -3.032 1.069 -3.273) 4.588 6.341 ( 1.179 -2.942 -6.577) 7.301 6.341 ( 1.179 2.942 -6.577) 7.301 6.743 ( -1.095 -0.839 0.845) 1.618 6.743 ( -1.095 0.839 0.845) 1.618 6.839 ( -2.133 -4.897 3.367) 6.313 6.839 ( -2.133 4.897 3.367) 6.313 7.014 ( 2.721 -2.179 0.398) 3.508 7.014 ( 2.721 2.179 0.398) 3.508 7.175 ( 1.686 -2.856 -1.895) 3.820 7.175 ( 1.686 2.856 -1.895) 3.820 7.366 ( 1.138 -3.160 1.708) 3.768 7.366 ( 1.138 3.160 1.708) 3.768 7.580 ( 1.397 -6.681 3.279) 7.572 7.580 ( 1.397 6.681 3.279) 7.572 7.660 ( -2.872 -7.977 -1.639) 8.636 7.660 ( -2.872 7.977 -1.639) 8.636 8.005 ( 5.946 -3.360 0.808) 6.877 8.005 ( 5.946 3.360 0.808) 6.877 8.145 ( 1.845 -1.821 2.833) 3.840 8.145 ( 1.845 1.821 2.833) 3.840 8.352 ( 2.331 -2.601 -2.644) 4.381 8.352 ( 2.331 2.601 -2.644) 4.381 8.595 ( 6.500 -2.787 1.513) 7.232 8.595 ( 6.500 2.787 1.513) 7.232 8.773 ( 2.715 -2.429 -1.144) 3.818 8.773 ( 2.715 2.429 -1.144) 3.818 9.758 ( 0.697 -0.752 0.503) 1.142 9.758 ( 0.697 0.752 0.503) 1.142 9.919 ( -2.438 -2.978 0.094) 3.850 9.919 ( -2.438 2.978 0.094) 3.850 10.214 ( 1.181 -1.114 3.500) 3.858 10.214 ( 1.181 1.114 3.500) 3.858 10.399 ( 1.390 -1.620 -3.324) 3.950 10.399 ( 1.390 1.620 -3.324) 3.950 10.720 ( -6.065 -0.909 4.327) 7.506 10.720 ( -6.065 0.909 4.327) 7.506 11.040 ( -1.714 -5.901 1.498) 6.325 11.040 ( -1.714 5.901 1.498) 6.325 11.196 ( -5.971 -5.032 2.217) 8.118 11.196 ( -5.971 5.032 2.217) 8.118 11.327 ( -3.533 -1.215 -5.236) 6.432 11.327 ( -3.533 1.215 -5.236) 6.432 11.566 ( 0.863 -2.096 0.966) 2.464 11.566 ( 0.863 2.096 0.966) 2.464 11.740 ( -2.740 -5.143 -2.643) 6.398 11.740 ( -2.740 5.143 -2.643) 6.398 11.860 ( 0.933 -0.582 3.100) 3.289 11.860 ( 0.933 0.582 3.100) 3.289 12.027 ( -0.110 -5.525 -12.862) 13.999 12.027 ( -0.110 5.525 -12.862) 13.999 12.224 ( -1.953 -4.929 -0.832) 5.367 12.224 ( -1.953 4.929 -0.832) 5.367 12.587 ( 5.216 -5.411 -7.085) 10.328 12.587 ( 5.216 5.411 -7.085) 10.328 12.833 ( -0.283 -2.932 3.935) 4.915 12.833 ( -0.283 2.932 3.935) 4.915 13.074 ( -0.591 -4.761 6.983) 8.473 13.074 ( -0.591 4.761 6.983) 8.473 13.342 ( 1.708 -3.450 -3.769) 5.387 13.342 ( 1.708 3.450 -3.769) 5.387 13.922 ( 12.013 -2.564 1.752) 12.408 13.922 ( 12.013 2.564 1.752) 12.408 14.170 ( 0.799 -3.293 2.669) 4.314 14.170 ( 0.799 3.293 2.669) 4.314 14.768 ( -7.091 -3.152 1.969) 8.006 14.768 ( -7.091 3.152 1.969) 8.006 16.012 ( -0.308 -0.769 0.814) 1.161 16.012 ( -0.308 0.769 0.814) 1.161 16.231 ( -2.247 -0.802 0.046) 2.386 16.231 ( -2.247 0.802 0.046) 2.386 16.545 ( -0.638 -1.636 0.286) 1.779 16.545 ( -0.638 1.636 0.286) 1.779 16.675 ( -0.026 -1.037 -0.242) 1.066 16.675 ( -0.026 1.037 -0.242) 1.066 17.247 ( 0.571 -2.542 3.419) 4.298 17.247 ( 0.571 2.542 3.419) 4.298 17.452 ( 3.171 -1.296 2.027) 3.980 17.452 ( 3.171 1.296 2.027) 3.980 19.212 ( -12.580 -2.886 0.190) 12.908 19.212 ( -12.580 2.886 0.190) 12.908 19.579 ( -18.958 -5.265 -5.084) 20.322 19.579 ( -18.958 5.265 -5.084) 20.322 20.483 ( 3.387 -3.583 1.601) 5.184 20.483 ( 3.387 3.583 1.601) 5.184 20.844 ( 8.153 -1.209 -0.110) 8.243 20.844 ( 8.153 1.209 -0.110) 8.243 22.072 ( 0.657 -3.959 -0.104) 4.014 22.072 ( 0.657 3.959 -0.104) 4.014 22.413 ( 0.492 -2.009 1.551) 2.585 22.413 ( 0.492 2.009 1.551) 2.585 22.626 ( 0.842 -2.874 -0.393) 3.021 22.626 ( 0.842 2.874 -0.393) 3.021 22.741 ( 4.750 -4.036 -1.554) 6.423 22.741 ( 4.750 4.036 -1.554) 6.423 27.317 ( -1.275 -0.749 1.622) 2.195 27.317 ( -1.275 0.749 1.622) 2.195 27.445 ( 1.862 -0.524 -0.857) 2.116 27.445 ( 1.862 0.524 -0.857) 2.116 28.793 ( -1.230 -1.264 3.856) 4.240 28.793 ( -1.230 1.264 3.856) 4.240 29.185 ( 8.055 -2.382 -3.404) 9.063 29.185 ( 8.055 2.382 -3.404) 9.063 30.309 ( -1.475 -0.271 0.072) 1.501 30.309 ( -1.475 0.271 0.072) 1.501 30.656 ( -9.875 -1.384 -2.184) 10.208 30.656 ( -9.875 1.384 -2.184) 10.208 30.912 ( -3.599 -2.764 1.194) 4.693 30.912 ( -3.599 2.764 1.194) 4.693 31.720 ( 7.245 -4.571 1.271) 8.660 31.720 ( 7.245 4.571 1.271) 8.660 ======================= Grid point 115 (63/78) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -11.063 -21.416 11.988) 26.921 1.495 ( -11.063 21.416 11.988) 26.921 1.801 ( -8.553 -10.091 16.252) 20.955 1.801 ( -8.553 10.091 16.252) 20.955 1.953 ( -9.442 -2.823 -7.606) 12.449 1.953 ( -9.442 2.823 -7.606) 12.449 2.397 ( -2.081 -5.014 3.957) 6.718 2.397 ( -2.081 5.014 3.957) 6.718 2.509 ( -2.800 -5.855 -1.931) 6.771 2.509 ( -2.800 5.855 -1.931) 6.771 2.575 ( -7.815 -14.159 10.274) 19.160 2.575 ( -7.815 14.159 10.274) 19.160 2.919 ( -1.295 -9.087 5.053) 10.478 2.919 ( -1.295 9.087 5.053) 10.478 2.971 ( -0.221 -7.459 4.372) 8.648 2.971 ( -0.221 7.459 4.372) 8.648 3.076 ( -1.306 -4.500 0.570) 4.720 3.076 ( -1.306 4.500 0.570) 4.720 3.209 ( -4.427 -6.444 -0.561) 7.838 3.209 ( -4.427 6.444 -0.561) 7.838 3.359 ( 1.332 -2.580 4.635) 5.470 3.359 ( 1.332 2.580 4.635) 5.470 3.469 ( -2.059 -4.128 -8.284) 9.482 3.469 ( -2.059 4.128 -8.284) 9.482 3.531 ( 0.824 -2.954 -0.421) 3.096 3.531 ( 0.824 2.954 -0.421) 3.096 3.770 ( -1.028 -5.647 -1.543) 5.943 3.770 ( -1.028 5.647 -1.543) 5.943 4.002 ( 5.049 -3.975 -1.899) 6.701 4.002 ( 5.049 3.975 -1.899) 6.701 4.221 ( -0.229 -3.674 5.132) 6.316 4.221 ( -0.229 3.674 5.132) 6.316 4.360 ( -2.655 -4.786 -2.373) 5.965 4.360 ( -2.655 4.786 -2.373) 5.965 4.602 ( 4.331 -1.537 -2.276) 5.129 4.602 ( 4.331 1.537 -2.276) 5.129 4.786 ( 0.681 -2.451 -1.090) 2.768 4.786 ( 0.681 2.451 -1.090) 2.768 4.976 ( 0.233 -4.261 -0.691) 4.323 4.976 ( 0.233 4.261 -0.691) 4.323 4.994 ( -2.591 -0.710 -3.847) 4.693 4.994 ( -2.591 0.710 -3.847) 4.693 5.194 ( 2.179 -4.326 0.532) 4.873 5.194 ( 2.179 4.326 0.532) 4.873 5.336 ( 1.514 -2.146 -4.971) 5.622 5.336 ( 1.514 2.146 -4.971) 5.622 5.484 ( 3.352 -1.440 0.325) 3.663 5.484 ( 3.352 1.440 0.325) 3.663 5.564 ( 1.316 -0.898 -3.515) 3.859 5.564 ( 1.316 0.898 -3.515) 3.859 5.706 ( 0.759 -4.185 -0.494) 4.282 5.706 ( 0.759 4.185 -0.494) 4.282 5.845 ( -2.222 -2.629 -1.601) 3.797 5.845 ( -2.222 2.629 -1.601) 3.797 5.955 ( -0.670 -5.127 3.099) 6.029 5.955 ( -0.670 5.127 3.099) 6.029 6.083 ( 0.469 -1.791 -5.021) 5.352 6.083 ( 0.469 1.791 -5.021) 5.352 6.302 ( 1.447 -2.340 -5.817) 6.435 6.302 ( 1.447 2.340 -5.817) 6.435 6.733 ( -1.984 -1.164 3.100) 3.860 6.733 ( -1.984 1.164 3.100) 3.860 6.856 ( 0.882 -1.968 3.047) 3.733 6.856 ( 0.882 1.968 3.047) 3.733 7.062 ( 2.309 -2.256 -0.444) 3.258 7.062 ( 2.309 2.256 -0.444) 3.258 7.163 ( 0.900 -2.101 -3.891) 4.513 7.163 ( 0.900 2.101 -3.891) 4.513 7.372 ( -2.856 -2.696 -0.528) 3.963 7.372 ( -2.856 2.696 -0.528) 3.963 7.592 ( -0.942 -0.868 2.158) 2.509 7.592 ( -0.942 0.868 2.158) 2.509 7.687 ( 4.453 -7.220 2.034) 8.723 7.687 ( 4.453 7.220 2.034) 8.723 8.117 ( 3.932 -3.279 0.776) 5.178 8.117 ( 3.932 3.279 0.776) 5.178 8.191 ( -0.508 -1.909 -0.545) 2.049 8.191 ( -0.508 1.909 -0.545) 2.049 8.367 ( 2.649 -0.471 0.867) 2.827 8.367 ( 2.649 0.471 0.867) 2.827 8.726 ( 6.829 -0.846 0.526) 6.901 8.726 ( 6.829 0.846 0.526) 6.901 8.800 ( 1.589 -1.739 -0.820) 2.494 8.800 ( 1.589 1.739 -0.820) 2.494 9.785 ( 1.368 -1.805 -2.179) 3.143 9.785 ( 1.368 1.805 -2.179) 3.143 9.886 ( -0.500 -4.800 2.672) 5.516 9.886 ( -0.500 4.800 2.672) 5.516 10.241 ( -4.191 -3.726 7.440) 9.316 10.241 ( -4.191 3.726 7.440) 9.316 10.394 ( 2.443 -2.019 -5.527) 6.371 10.394 ( 2.443 2.019 -5.527) 6.371 10.674 ( -3.460 -0.945 0.880) 3.693 10.674 ( -3.460 0.945 0.880) 3.693 10.879 ( -14.430 -2.414 1.369) 14.694 10.879 ( -14.430 2.414 1.369) 14.694 11.120 ( 0.279 -6.170 -3.396) 7.048 11.120 ( 0.279 6.170 -3.396) 7.048 11.314 ( 2.568 -1.376 -3.506) 4.558 11.314 ( 2.568 1.376 -3.506) 4.558 11.476 ( -6.507 -2.893 -4.554) 8.453 11.476 ( -6.507 2.893 -4.554) 8.453 11.663 ( -0.371 -1.643 -0.064) 1.685 11.663 ( -0.371 1.643 -0.064) 1.685 11.897 ( 1.421 -1.751 0.331) 2.279 11.897 ( 1.421 1.751 0.331) 2.279 12.024 ( 2.357 -5.742 0.559) 6.233 12.024 ( 2.357 5.742 0.559) 6.233 12.190 ( -0.436 -4.258 -1.389) 4.500 12.190 ( -0.436 4.258 -1.389) 4.500 12.590 ( 3.383 -5.576 -8.421) 10.651 12.590 ( 3.383 5.576 -8.421) 10.651 12.879 ( 0.249 -4.502 5.426) 7.055 12.879 ( 0.249 4.502 5.426) 7.055 13.167 ( 3.628 -1.210 6.342) 7.405 13.167 ( 3.628 1.210 6.342) 7.405 13.364 ( 2.453 -2.663 -0.473) 3.651 13.364 ( 2.453 2.663 -0.473) 3.651 14.001 ( -0.091 -4.294 -4.839) 6.470 14.001 ( -0.091 4.294 -4.839) 6.470 14.318 ( 7.032 -4.542 6.803) 10.787 14.318 ( 7.032 4.542 6.803) 10.787 14.667 ( -4.590 -6.098 1.996) 7.889 14.667 ( -4.590 6.098 1.996) 7.889 16.021 ( 0.175 -0.504 1.613) 1.699 16.021 ( 0.175 0.504 1.613) 1.699 16.183 ( -2.522 -0.970 -0.807) 2.820 16.183 ( -2.522 0.970 -0.807) 2.820 16.532 ( -0.578 -1.320 -0.999) 1.753 16.532 ( -0.578 1.320 -0.999) 1.753 16.657 ( -1.032 -0.754 -1.197) 1.751 16.657 ( -1.032 0.754 -1.197) 1.751 17.322 ( 3.223 -3.191 4.768) 6.581 17.322 ( 3.223 3.191 4.768) 6.581 17.523 ( 1.851 -1.503 2.275) 3.296 17.523 ( 1.851 1.503 2.275) 3.296 19.023 ( -7.095 -0.619 -0.604) 7.147 19.023 ( -7.095 0.619 -0.604) 7.147 19.216 ( -15.902 -2.035 -2.489) 16.224 19.216 ( -15.902 2.035 -2.489) 16.224 20.538 ( 1.486 -3.056 1.025) 3.549 20.538 ( 1.486 3.056 1.025) 3.549 20.973 ( 5.707 -2.157 0.415) 6.115 20.973 ( 5.707 2.157 0.415) 6.115 22.083 ( 0.631 -4.202 0.054) 4.249 22.083 ( 0.631 4.202 0.054) 4.249 22.436 ( 0.130 -2.361 2.036) 3.121 22.436 ( 0.130 2.361 2.036) 3.121 22.640 ( 0.953 -3.308 -0.125) 3.445 22.640 ( 0.953 3.308 -0.125) 3.445 22.782 ( 2.293 -1.915 -4.353) 5.279 22.782 ( 2.293 1.915 -4.353) 5.279 27.311 ( -1.143 -0.624 1.857) 2.268 27.311 ( -1.143 0.624 1.857) 2.268 27.464 ( 1.168 -0.503 -1.249) 1.782 27.464 ( 1.168 0.503 -1.249) 1.782 28.805 ( -1.382 -1.409 3.849) 4.326 28.805 ( -1.382 1.409 3.849) 4.326 29.278 ( 6.181 -1.071 -7.161) 9.520 29.278 ( 6.181 1.071 -7.161) 9.520 30.289 ( 0.111 -0.891 -0.136) 0.908 30.289 ( 0.111 0.891 -0.136) 0.908 30.446 ( -10.706 -2.303 0.174) 10.953 30.446 ( -10.706 2.303 0.174) 10.953 30.879 ( -1.530 -2.803 1.283) 3.442 30.879 ( -1.530 2.803 1.283) 3.442 31.872 ( 6.675 -6.879 2.806) 9.988 31.872 ( 6.675 6.879 2.806) 9.988 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 2.758 0.000 -17.181) 17.401 1.184 ( -2.758 0.000 17.181) 17.401 1.458 ( 0.627 0.000 -20.280) 20.290 1.458 ( -0.627 0.000 20.280) 20.290 1.893 ( -4.030 0.000 -7.032) 8.105 1.893 ( 4.030 0.000 7.032) 8.105 2.428 ( 5.334 0.000 -4.891) 7.237 2.428 ( -5.334 0.000 4.891) 7.237 2.563 ( -0.836 0.000 -7.022) 7.072 2.563 ( 0.836 0.000 7.022) 7.072 2.666 ( -1.512 0.000 -0.376) 1.558 2.666 ( 1.512 0.000 0.376) 1.558 2.924 ( 6.392 0.000 -11.411) 13.079 2.924 ( -6.392 0.000 11.411) 13.079 3.078 ( -4.564 0.000 0.056) 4.564 3.078 ( 4.564 0.000 -0.056) 4.564 3.148 ( 9.355 0.000 -16.159) 18.671 3.148 ( -9.355 0.000 16.159) 18.671 3.201 ( -1.284 0.000 -4.066) 4.264 3.201 ( 1.284 0.000 4.066) 4.264 3.393 ( -1.903 0.000 -2.589) 3.213 3.393 ( 1.903 0.000 2.589) 3.213 3.473 ( -2.316 0.000 -2.313) 3.274 3.473 ( 2.316 0.000 2.313) 3.274 3.665 ( 1.857 0.000 -6.895) 7.140 3.665 ( -1.857 0.000 6.895) 7.140 3.831 ( -1.794 0.000 -1.576) 2.388 3.831 ( 1.794 0.000 1.576) 2.388 4.063 ( -6.855 0.000 -2.943) 7.460 4.063 ( 6.855 0.000 2.943) 7.460 4.111 ( -0.575 0.000 -2.303) 2.374 4.111 ( 0.575 0.000 2.303) 2.374 4.451 ( -4.482 0.000 -8.176) 9.324 4.451 ( 4.482 0.000 8.176) 9.324 4.685 ( -3.974 0.000 -5.026) 6.407 4.685 ( 3.974 0.000 5.026) 6.407 4.801 ( -6.976 0.000 -1.559) 7.148 4.801 ( 6.976 0.000 1.559) 7.148 4.875 ( 5.537 0.000 -3.189) 6.390 4.875 ( -5.537 0.000 3.189) 6.390 5.042 ( 5.425 0.000 -2.245) 5.871 5.042 ( -5.425 0.000 2.245) 5.871 5.235 ( -10.080 0.000 -0.998) 10.129 5.235 ( 10.080 0.000 0.998) 10.129 5.265 ( 3.824 0.000 -4.361) 5.800 5.265 ( -3.824 0.000 4.361) 5.800 5.449 ( 1.570 0.000 -6.470) 6.658 5.449 ( -1.570 0.000 6.470) 6.658 5.503 ( -1.387 0.000 -1.885) 2.341 5.503 ( 1.387 0.000 1.885) 2.341 5.647 ( 0.579 0.000 -2.212) 2.286 5.647 ( -0.579 0.000 2.212) 2.286 5.731 ( -0.901 0.000 -2.341) 2.509 5.731 ( 0.901 0.000 2.341) 2.509 5.958 ( -2.655 0.000 -1.736) 3.172 5.958 ( 2.655 0.000 1.736) 3.172 6.076 ( 0.819 0.000 -1.373) 1.599 6.076 ( -0.819 0.000 1.373) 1.599 6.217 ( -1.414 0.000 -0.973) 1.716 6.217 ( 1.414 0.000 0.973) 1.716 6.781 ( -2.291 0.000 -1.413) 2.692 6.781 ( 2.291 0.000 1.413) 2.692 6.853 ( -2.070 0.000 -3.626) 4.175 6.853 ( 2.070 0.000 3.626) 4.175 7.093 ( 2.499 0.000 -1.515) 2.923 7.093 ( -2.499 0.000 1.515) 2.923 7.157 ( -6.447 0.000 -5.126) 8.237 7.157 ( 6.447 0.000 5.126) 8.237 7.289 ( -2.852 0.000 -1.533) 3.238 7.289 ( 2.852 0.000 1.533) 3.238 7.545 ( -1.847 0.000 -7.223) 7.456 7.545 ( 1.847 0.000 7.223) 7.456 7.825 ( -6.319 0.000 -5.665) 8.487 7.825 ( 6.319 0.000 5.665) 8.487 7.962 ( -6.419 0.000 0.571) 6.444 7.962 ( 6.418 0.000 -0.571) 6.444 8.273 ( 0.710 0.000 -4.266) 4.325 8.273 ( -0.710 0.000 4.266) 4.325 8.500 ( -3.177 0.000 -1.893) 3.698 8.500 ( 3.177 0.000 1.893) 3.698 8.682 ( 1.192 0.000 -0.426) 1.266 8.682 ( -1.192 0.000 0.426) 1.266 8.817 ( 4.621 0.000 -1.812) 4.964 8.817 ( -4.621 0.000 1.812) 4.964 9.754 ( -1.104 0.000 -2.481) 2.716 9.754 ( 1.104 0.000 2.481) 2.716 9.897 ( -4.664 0.000 -1.585) 4.926 9.897 ( 4.664 0.000 1.585) 4.926 10.161 ( -1.998 0.000 -1.252) 2.358 10.161 ( 1.998 0.000 1.252) 2.358 10.458 ( -0.112 0.000 -6.787) 6.788 10.458 ( 0.112 0.000 6.787) 6.788 10.559 ( 2.693 0.000 -5.048) 5.721 10.559 ( -2.693 0.000 5.048) 5.721 10.793 ( 11.028 0.000 -5.108) 12.154 10.793 ( -11.028 0.000 5.108) 12.154 11.166 ( -1.700 0.000 -2.337) 2.890 11.166 ( 1.700 0.000 2.337) 2.890 11.393 ( -0.741 0.000 -2.984) 3.075 11.393 ( 0.741 0.000 2.984) 3.075 11.524 ( 2.924 0.000 -1.566) 3.317 11.524 ( -2.924 0.000 1.566) 3.317 11.650 ( -2.966 0.000 -1.877) 3.509 11.650 ( 2.966 0.000 1.877) 3.509 11.728 ( -2.682 0.000 -1.061) 2.884 11.728 ( 2.682 0.000 1.061) 2.884 12.053 ( 0.417 0.000 -2.458) 2.493 12.053 ( -0.417 0.000 2.458) 2.493 12.249 ( -0.282 0.000 -6.541) 6.547 12.249 ( 0.282 0.000 6.541) 6.547 12.496 ( 6.828 0.000 -2.839) 7.395 12.496 ( -6.828 0.000 2.839) 7.395 12.931 ( 1.272 0.000 -6.897) 7.013 12.931 ( -1.272 0.000 6.897) 7.013 13.295 ( -0.260 0.000 -4.813) 4.820 13.295 ( 0.260 0.000 4.813) 4.820 13.525 ( -1.137 0.000 -1.831) 2.156 13.525 ( 1.137 0.000 1.831) 2.156 13.827 ( -3.698 0.000 -4.597) 5.900 13.827 ( 3.698 0.000 4.597) 5.900 14.440 ( -8.513 0.000 1.674) 8.676 14.440 ( 8.513 0.000 -1.674) 8.676 14.660 ( 5.251 0.000 -17.222) 18.005 14.660 ( -5.251 0.000 17.222) 18.005 16.042 ( 4.521 0.000 -1.919) 4.911 16.042 ( -4.521 0.000 1.919) 4.911 16.133 ( -0.596 0.000 -2.342) 2.417 16.133 ( 0.596 0.000 2.342) 2.417 16.488 ( 0.439 0.000 -2.586) 2.623 16.488 ( -0.439 0.000 2.586) 2.623 16.612 ( 0.955 0.000 -1.280) 1.596 16.612 ( -0.955 0.000 1.280) 1.596 17.426 ( -1.682 0.000 -3.453) 3.841 17.426 ( 1.682 0.000 3.453) 3.841 17.600 ( 3.008 0.000 -1.163) 3.225 17.600 ( -3.008 0.000 1.163) 3.225 18.945 ( -3.593 0.000 -0.002) 3.593 18.945 ( 3.593 0.000 0.002) 3.593 19.051 ( -6.057 0.000 0.324) 6.066 19.051 ( 6.057 0.000 -0.324) 6.066 20.525 ( 0.387 0.000 -2.746) 2.773 20.525 ( -0.387 0.000 2.746) 2.773 21.078 ( -2.994 0.000 -2.381) 3.825 21.078 ( 2.994 0.000 2.381) 3.825 22.086 ( -1.196 0.000 -3.801) 3.985 22.086 ( 1.196 0.000 3.801) 3.985 22.521 ( -4.178 0.000 -2.918) 5.096 22.521 ( 4.178 0.000 2.918) 5.096 22.562 ( -1.426 0.000 -2.029) 2.480 22.562 ( 1.426 0.000 2.029) 2.480 22.748 ( 0.472 0.000 -0.611) 0.773 22.748 ( -0.472 0.000 0.611) 0.773 27.327 ( 1.110 0.000 -1.319) 1.724 27.327 ( -1.110 0.000 1.319) 1.724 27.455 ( 2.524 0.000 -2.367) 3.461 27.455 ( -2.524 0.000 2.367) 3.461 28.811 ( 2.992 0.000 -2.527) 3.916 28.811 ( -2.992 0.000 2.527) 3.916 29.220 ( 9.781 0.000 -7.210) 12.151 29.220 ( -9.781 0.000 7.210) 12.151 30.253 ( -2.221 0.000 0.541) 2.286 30.253 ( 2.221 0.000 -0.541) 2.286 30.401 ( -11.248 0.000 2.812) 11.594 30.401 ( 11.248 0.000 -2.812) 11.594 30.913 ( 5.265 0.000 -5.185) 7.389 30.913 ( -5.265 0.000 5.185) 7.389 31.997 ( -0.945 0.000 -7.740) 7.798 31.997 ( 0.945 0.000 7.740) 7.798 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 25.827 0.000 -15.190) 29.963 1.365 ( 10.710 0.000 -17.266) 20.317 1.513 ( 19.333 0.000 9.802) 21.676 1.689 ( 7.454 0.000 16.185) 17.819 1.916 ( 8.715 0.000 3.412) 9.359 2.145 ( 11.003 0.000 15.647) 19.128 2.444 ( 4.122 0.000 1.465) 4.375 2.468 ( -0.392 0.000 -13.699) 13.705 2.497 ( 6.406 0.000 -7.367) 9.762 2.613 ( 1.109 0.000 -2.240) 2.500 2.637 ( 0.247 0.000 1.460) 1.481 2.645 ( -4.155 0.000 1.847) 4.547 2.896 ( 4.610 0.000 -19.762) 20.293 2.910 ( -4.673 0.000 5.007) 6.849 3.024 ( -2.379 0.000 -3.453) 4.194 3.077 ( 2.110 0.000 -11.552) 11.743 3.127 ( -0.795 0.000 6.580) 6.628 3.134 ( -1.296 0.000 3.736) 3.955 3.166 ( 4.227 0.000 -8.283) 9.299 3.232 ( -3.649 0.000 -1.824) 4.079 3.308 ( -1.109 0.000 0.236) 1.134 3.395 ( -2.883 0.000 -2.393) 3.747 3.452 ( 2.841 0.000 1.201) 3.084 3.512 ( 1.233 0.000 1.061) 1.627 3.627 ( 2.366 0.000 -7.768) 8.120 3.643 ( -4.244 0.000 0.592) 4.285 3.811 ( 0.011 0.000 0.737) 0.737 3.887 ( -9.234 0.000 0.526) 9.249 3.936 ( 4.655 0.000 8.719) 9.884 4.084 ( 0.824 0.000 -0.174) 0.842 4.253 ( 6.980 0.000 -1.070) 7.062 4.273 ( 9.869 0.000 6.222) 11.666 4.316 ( -2.850 0.000 -2.630) 3.878 4.507 ( -6.318 0.000 1.251) 6.440 4.601 ( 0.088 0.000 -6.521) 6.522 4.695 ( -3.408 0.000 1.069) 3.571 4.789 ( -6.464 0.000 -2.930) 7.097 4.820 ( 3.155 0.000 3.880) 5.001 4.841 ( 1.939 0.000 6.547) 6.828 4.891 ( -7.893 0.000 1.461) 8.027 4.999 ( -1.763 0.000 1.044) 2.048 5.078 ( 1.387 0.000 -2.364) 2.740 5.136 ( 6.422 0.000 0.839) 6.477 5.239 ( -3.796 0.000 2.020) 4.300 5.247 ( 0.195 0.000 -1.867) 1.877 5.392 ( -7.909 0.000 -1.065) 7.980 5.440 ( -0.120 0.000 1.231) 1.237 5.449 ( 0.818 0.000 -3.550) 3.643 5.454 ( 2.800 0.000 3.116) 4.189 5.488 ( -3.428 0.000 1.695) 3.824 5.648 ( -2.846 0.000 0.207) 2.854 5.686 ( 1.744 0.000 -4.074) 4.432 5.725 ( 3.111 0.000 4.012) 5.077 5.753 ( 0.042 0.000 3.894) 3.894 5.914 ( 0.951 0.000 0.450) 1.052 5.970 ( 2.796 0.000 1.167) 3.030 6.087 ( -2.497 0.000 2.869) 3.803 6.147 ( 3.904 0.000 1.203) 4.085 6.193 ( 1.385 0.000 -3.025) 3.327 6.233 ( -0.480 0.000 -0.684) 0.835 6.744 ( -1.046 0.000 -0.888) 1.372 6.785 ( -0.606 0.000 -2.629) 2.698 6.870 ( 5.713 0.000 0.897) 5.783 6.889 ( 0.655 0.000 -4.850) 4.894 7.005 ( -5.034 0.000 2.514) 5.627 7.059 ( -3.114 0.000 1.779) 3.587 7.127 ( 1.315 0.000 -1.664) 2.121 7.247 ( -1.001 0.000 1.101) 1.488 7.277 ( 1.894 0.000 1.527) 2.433 7.370 ( 4.599 0.000 -0.474) 4.623 7.451 ( -3.572 0.000 -1.281) 3.795 7.609 ( -2.573 0.000 7.978) 8.383 7.705 ( -1.760 0.000 -1.041) 2.045 7.922 ( 0.560 0.000 1.468) 1.572 7.973 ( 3.968 0.000 3.218) 5.108 8.097 ( 5.929 0.000 1.911) 6.230 8.182 ( -4.478 0.000 -6.592) 7.970 8.210 ( -7.789 0.000 -1.455) 7.924 8.412 ( -4.883 0.000 0.698) 4.932 8.505 ( -3.160 0.000 -1.941) 3.709 8.613 ( -7.506 0.000 -1.026) 7.576 8.638 ( -3.779 0.000 0.586) 3.824 8.779 ( -0.126 0.000 1.780) 1.784 8.822 ( -1.670 0.000 -3.384) 3.774 9.738 ( 2.704 0.000 -3.287) 4.256 9.787 ( -2.163 0.000 -0.991) 2.379 9.810 ( 0.398 0.000 0.307) 0.503 9.968 ( 2.977 0.000 0.536) 3.025 10.135 ( -3.886 0.000 5.375) 6.632 10.226 ( -2.724 0.000 9.767) 10.139 10.398 ( -0.935 0.000 -5.840) 5.915 10.504 ( -3.883 0.000 5.892) 7.056 10.522 ( -6.537 0.000 11.727) 13.426 10.635 ( 11.543 0.000 -0.377) 11.549 10.786 ( 4.921 0.000 -0.846) 4.993 10.983 ( 15.531 0.000 -9.567) 18.241 11.222 ( 10.161 0.000 2.431) 10.448 11.224 ( 1.712 0.000 0.221) 1.726 11.392 ( -2.581 0.000 -0.753) 2.688 11.395 ( 3.336 0.000 -0.344) 3.354 11.447 ( -4.937 0.000 -1.383) 5.127 11.549 ( 2.275 0.000 -0.879) 2.439 11.582 ( -3.262 0.000 -0.159) 3.266 11.711 ( 1.812 0.000 -1.421) 2.303 11.724 ( 2.936 0.000 0.663) 3.010 11.815 ( 3.955 0.000 0.915) 4.060 12.040 ( 0.330 0.000 -1.409) 1.447 12.072 ( 1.394 0.000 0.934) 1.679 12.157 ( -0.209 0.000 -9.776) 9.778 12.221 ( -6.325 0.000 0.757) 6.370 12.458 ( -2.494 0.000 6.723) 7.170 12.592 ( 5.299 0.000 -1.648) 5.549 12.865 ( -0.293 0.000 -9.052) 9.057 12.941 ( -2.573 0.000 3.226) 4.127 13.218 ( -1.966 0.000 -5.116) 5.481 13.297 ( -3.033 0.000 3.217) 4.421 13.512 ( 2.535 0.000 -6.116) 6.621 13.558 ( 2.743 0.000 -10.278) 10.638 13.750 ( -4.296 0.000 8.769) 9.765 13.899 ( -5.172 0.000 9.753) 11.040 14.281 ( -10.737 0.000 2.160) 10.952 14.542 ( -1.372 0.000 -14.194) 14.260 14.578 ( 8.621 0.000 -3.006) 9.130 14.689 ( -4.573 0.000 11.885) 12.734 15.995 ( -2.655 0.000 1.946) 3.292 16.069 ( 0.403 0.000 -2.905) 2.933 16.165 ( 5.316 0.000 -0.010) 5.316 16.180 ( 1.960 0.000 2.218) 2.960 16.481 ( 1.177 0.000 -1.802) 2.152 16.504 ( -0.405 0.000 2.719) 2.749 16.630 ( 1.011 0.000 2.433) 2.635 16.632 ( 1.861 0.000 -0.602) 1.956 17.345 ( -3.141 0.000 -3.793) 4.925 17.443 ( -2.880 0.000 2.565) 3.857 17.506 ( -6.785 0.000 -0.908) 6.845 17.602 ( -1.239 0.000 -1.014) 1.600 19.022 ( 3.538 0.000 -0.338) 3.554 19.034 ( 11.688 0.000 2.644) 11.983 19.127 ( 15.746 0.000 -1.544) 15.821 19.218 ( 13.099 0.000 -0.659) 13.116 20.491 ( -1.868 0.000 -1.927) 2.684 20.526 ( -2.663 0.000 3.623) 4.497 20.967 ( -6.996 0.000 -1.142) 7.088 21.091 ( -3.794 0.000 1.467) 4.068 22.030 ( -1.419 0.000 -3.091) 3.401 22.135 ( 0.373 0.000 3.683) 3.702 22.398 ( -5.107 0.000 -2.501) 5.687 22.547 ( 0.019 0.000 0.537) 0.537 22.554 ( 0.425 0.000 -0.749) 0.861 22.673 ( 3.509 0.000 5.362) 6.408 22.723 ( -2.193 0.000 -1.689) 2.768 22.726 ( -2.251 0.000 0.492) 2.304 27.321 ( -0.758 0.000 1.233) 1.447 27.336 ( 1.295 0.000 -1.550) 2.019 27.431 ( -2.717 0.000 2.806) 3.906 27.473 ( 1.110 0.000 -1.350) 1.748 28.783 ( -2.687 0.000 2.939) 3.982 28.836 ( 2.448 0.000 -2.906) 3.800 29.124 ( -8.992 0.000 9.408) 13.014 29.296 ( 2.132 0.000 -3.277) 3.910 30.237 ( 0.143 0.000 0.666) 0.681 30.298 ( 3.330 0.000 -0.942) 3.461 30.335 ( 3.297 0.000 1.574) 3.654 30.612 ( 15.429 0.000 -6.120) 16.599 30.870 ( -4.537 0.000 5.427) 7.074 30.956 ( 4.880 0.000 -5.807) 7.585 31.859 ( -6.442 0.000 -6.190) 8.934 31.994 ( -8.163 0.000 5.197) 9.677 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 19.097 0.000 -14.751) 24.130 1.667 ( 23.975 0.000 -13.497) 27.513 1.910 ( 10.967 0.000 10.631) 15.274 1.982 ( 9.880 0.000 12.830) 16.193 2.185 ( 7.063 0.000 -1.437) 7.208 2.348 ( 9.595 0.000 -5.725) 11.173 2.416 ( -0.840 0.000 9.331) 9.369 2.456 ( -3.341 0.000 -5.279) 6.247 2.577 ( 4.543 0.000 -1.273) 4.718 2.616 ( 5.720 0.000 -0.586) 5.750 2.632 ( 1.421 0.000 -2.814) 3.153 2.710 ( 9.569 0.000 -0.905) 9.612 2.821 ( 9.575 0.000 -13.648) 16.672 2.848 ( -4.812 0.000 1.260) 4.974 2.916 ( 2.303 0.000 -11.141) 11.377 3.041 ( -4.890 0.000 -4.053) 6.352 3.091 ( 3.520 0.000 -7.261) 8.069 3.145 ( -4.118 0.000 4.607) 6.179 3.164 ( -0.202 0.000 -0.781) 0.807 3.237 ( 2.902 0.000 5.159) 5.919 3.338 ( -0.295 0.000 2.808) 2.824 3.389 ( 7.767 0.000 -5.260) 9.380 3.499 ( 3.821 0.000 -3.748) 5.352 3.523 ( -1.278 0.000 -3.257) 3.499 3.627 ( 2.949 0.000 5.159) 5.942 3.670 ( 7.132 0.000 -0.692) 7.165 3.781 ( -4.179 0.000 6.165) 7.448 3.804 ( -2.548 0.000 -0.909) 2.705 4.094 ( 2.630 0.000 -3.588) 4.449 4.096 ( 5.230 0.000 4.432) 6.855 4.204 ( -0.434 0.000 -7.913) 7.925 4.309 ( -12.515 0.000 0.878) 12.546 4.376 ( 0.787 0.000 3.257) 3.351 4.517 ( 8.555 0.000 4.148) 9.508 4.586 ( 3.250 0.000 -2.293) 3.978 4.643 ( -4.710 0.000 2.777) 5.468 4.667 ( -4.391 0.000 -0.476) 4.417 4.760 ( -6.634 0.000 3.348) 7.431 4.878 ( -2.126 0.000 6.828) 7.152 4.952 ( -1.870 0.000 -0.770) 2.022 4.963 ( 3.717 0.000 2.773) 4.638 5.074 ( -0.326 0.000 -1.090) 1.138 5.171 ( -3.237 0.000 -0.011) 3.238 5.180 ( -10.270 0.000 0.233) 10.273 5.227 ( -5.411 0.000 -1.657) 5.659 5.292 ( 5.227 0.000 -4.173) 6.689 5.355 ( -5.359 0.000 1.744) 5.635 5.410 ( 4.142 0.000 0.204) 4.147 5.487 ( 0.120 0.000 0.490) 0.504 5.496 ( -7.586 0.000 -2.334) 7.937 5.565 ( -1.081 0.000 -5.708) 5.810 5.615 ( -1.655 0.000 0.230) 1.671 5.838 ( 3.560 0.000 1.118) 3.731 5.843 ( 3.407 0.000 4.873) 5.946 5.987 ( 3.903 0.000 2.555) 4.665 6.063 ( -2.124 0.000 6.136) 6.494 6.116 ( 7.105 0.000 5.285) 8.855 6.168 ( -3.718 0.000 -2.928) 4.733 6.205 ( 1.966 0.000 -1.805) 2.669 6.220 ( 2.309 0.000 4.161) 4.759 6.707 ( -1.938 0.000 -1.455) 2.423 6.779 ( 2.271 0.000 -3.234) 3.952 6.841 ( 1.935 0.000 -4.643) 5.031 6.983 ( 1.696 0.000 0.752) 1.855 7.023 ( 0.209 0.000 3.261) 3.267 7.037 ( 1.453 0.000 4.548) 4.775 7.102 ( -2.211 0.000 -0.547) 2.278 7.247 ( 1.153 0.000 -1.375) 1.794 7.279 ( -1.731 0.000 0.565) 1.821 7.370 ( -1.131 0.000 -1.601) 1.960 7.449 ( 3.976 0.000 -1.757) 4.347 7.587 ( -6.040 0.000 3.607) 7.035 7.757 ( 2.895 0.000 2.361) 3.735 7.935 ( -5.918 0.000 -4.848) 7.650 7.978 ( 2.841 0.000 2.337) 3.679 8.023 ( -9.327 0.000 -0.953) 9.375 8.080 ( -2.444 0.000 -2.552) 3.534 8.156 ( -0.079 0.000 -0.027) 0.084 8.339 ( -4.754 0.000 1.053) 4.870 8.383 ( -6.348 0.000 -3.776) 7.386 8.512 ( -2.655 0.000 0.597) 2.722 8.572 ( -3.477 0.000 0.591) 3.527 8.718 ( -6.226 0.000 -2.373) 6.662 8.785 ( -2.041 0.000 1.852) 2.756 9.730 ( -1.651 0.000 -0.821) 1.844 9.780 ( 4.598 0.000 -3.597) 5.837 9.863 ( 3.532 0.000 0.899) 3.645 10.027 ( 3.041 0.000 -0.150) 3.044 10.127 ( -2.515 0.000 6.173) 6.665 10.216 ( -5.633 0.000 7.709) 9.548 10.339 ( -1.007 0.000 -1.498) 1.805 10.460 ( -4.603 0.000 2.692) 5.332 10.607 ( 2.728 0.000 11.396) 11.718 10.839 ( 1.433 0.000 0.931) 1.709 10.851 ( 10.351 0.000 -0.718) 10.376 11.150 ( 8.774 0.000 -4.124) 9.695 11.254 ( 4.942 0.000 -3.869) 6.276 11.278 ( -4.242 0.000 -1.253) 4.424 11.332 ( -4.256 0.000 -2.564) 4.969 11.442 ( -1.095 0.000 0.378) 1.158 11.548 ( -0.625 0.000 -2.664) 2.737 11.575 ( 1.940 0.000 3.445) 3.954 11.581 ( 12.126 0.000 12.727) 17.579 11.698 ( 0.722 0.000 -3.123) 3.206 11.798 ( 5.234 0.000 -2.144) 5.656 11.845 ( 0.795 0.000 -0.998) 1.276 12.051 ( 1.582 0.000 0.834) 1.788 12.067 ( -2.977 0.000 0.558) 3.029 12.123 ( -6.486 0.000 4.476) 7.880 12.166 ( 11.442 0.000 -11.663) 16.339 12.476 ( -1.178 0.000 4.030) 4.198 12.638 ( 2.343 0.000 -4.152) 4.768 12.789 ( 0.411 0.000 -5.789) 5.804 12.906 ( -2.563 0.000 -0.056) 2.564 13.168 ( 0.773 0.000 -3.719) 3.799 13.266 ( -1.759 0.000 -1.654) 2.414 13.411 ( -7.418 0.000 -6.970) 10.179 13.470 ( -2.851 0.000 -5.408) 6.114 13.748 ( -13.677 0.000 1.410) 13.750 13.822 ( 0.952 0.000 7.614) 7.673 14.185 ( -3.614 0.000 4.895) 6.085 14.352 ( -3.560 0.000 -15.224) 15.635 14.726 ( 8.000 0.000 0.883) 8.049 14.748 ( 0.834 0.000 8.697) 8.737 15.978 ( -1.200 0.000 1.805) 2.168 16.045 ( 0.264 0.000 -3.361) 3.372 16.233 ( 1.726 0.000 1.939) 2.596 16.250 ( 3.298 0.000 0.173) 3.302 16.497 ( 1.866 0.000 -0.994) 2.114 16.527 ( 0.034 0.000 3.076) 3.076 16.659 ( 1.578 0.000 -0.527) 1.663 16.673 ( 0.908 0.000 2.269) 2.444 17.267 ( -1.451 0.000 -3.350) 3.650 17.390 ( -4.694 0.000 1.964) 5.088 17.397 ( -3.256 0.000 -1.592) 3.625 17.543 ( -3.728 0.000 -1.608) 4.060 19.159 ( 11.429 0.000 -0.574) 11.444 19.300 ( 12.481 0.000 2.548) 12.738 19.437 ( 19.711 0.000 -1.440) 19.763 19.523 ( 18.508 0.000 5.529) 19.316 20.425 ( -3.948 0.000 -1.248) 4.140 20.493 ( -5.113 0.000 4.147) 6.584 20.833 ( -7.230 0.000 0.287) 7.236 20.978 ( -8.194 0.000 -1.538) 8.337 21.991 ( -0.339 0.000 -1.753) 1.785 22.151 ( -1.713 0.000 1.474) 2.260 22.319 ( -2.113 0.000 0.493) 2.170 22.551 ( -0.148 0.000 0.484) 0.506 22.555 ( 0.456 0.000 -0.704) 0.839 22.639 ( -3.670 0.000 -4.220) 5.592 22.689 ( -2.392 0.000 0.904) 2.557 22.742 ( -1.119 0.000 4.333) 4.475 27.323 ( -0.332 0.000 1.345) 1.385 27.344 ( 1.278 0.000 -1.872) 2.267 27.411 ( -2.260 0.000 2.664) 3.493 27.466 ( -0.708 0.000 -0.931) 1.169 28.772 ( -1.757 0.000 3.714) 4.109 28.844 ( 1.836 0.000 -3.728) 4.155 29.065 ( -7.085 0.000 9.096) 11.530 29.223 ( -4.788 0.000 -4.778) 6.765 30.262 ( 1.225 0.000 1.479) 1.920 30.343 ( 2.756 0.000 -1.759) 3.269 30.536 ( 12.160 0.000 7.100) 14.081 30.779 ( 6.246 0.000 -4.176) 7.514 30.886 ( 4.303 0.000 2.340) 4.898 30.976 ( 3.668 0.000 -6.896) 7.811 31.692 ( -6.690 0.000 -3.807) 7.697 31.825 ( -11.424 0.000 -0.548) 11.437 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 20.190 0.000 -9.031) 22.118 1.902 ( 17.862 0.000 -16.790) 24.515 2.058 ( 3.435 0.000 -5.163) 6.201 2.098 ( -9.909 0.000 14.427) 17.502 2.211 ( -0.451 0.000 5.375) 5.394 2.269 ( -0.406 0.000 -5.537) 5.552 2.334 ( -13.279 0.000 3.063) 13.628 2.520 ( -2.584 0.000 -6.671) 7.154 2.641 ( -0.391 0.000 2.434) 2.465 2.649 ( 8.546 0.000 -2.220) 8.830 2.737 ( 5.631 0.000 -3.232) 6.492 2.806 ( 3.622 0.000 -6.663) 7.584 2.903 ( 8.507 0.000 4.855) 9.794 2.937 ( 7.575 0.000 -1.393) 7.702 2.996 ( 8.485 0.000 -1.574) 8.630 3.029 ( 6.767 0.000 0.645) 6.798 3.074 ( 5.339 0.000 -4.970) 7.294 3.131 ( 1.212 0.000 2.867) 3.113 3.206 ( 1.631 0.000 4.266) 4.568 3.263 ( -8.991 0.000 2.395) 9.305 3.309 ( 0.715 0.000 3.021) 3.105 3.493 ( 3.562 0.000 0.664) 3.624 3.514 ( 0.545 0.000 2.451) 2.510 3.615 ( 15.927 0.000 -8.860) 18.226 3.652 ( -9.412 0.000 -4.665) 10.505 3.775 ( 7.088 0.000 3.520) 7.914 3.814 ( 9.260 0.000 -5.734) 10.891 3.854 ( 1.907 0.000 10.499) 10.671 4.085 ( -10.746 0.000 0.729) 10.770 4.132 ( 2.077 0.000 -3.905) 4.423 4.153 ( 4.826 0.000 -5.869) 7.599 4.156 ( -1.464 0.000 -0.990) 1.767 4.346 ( -4.432 0.000 -1.825) 4.793 4.543 ( -12.847 0.000 10.536) 16.615 4.594 ( -0.956 0.000 1.459) 1.744 4.670 ( 5.454 0.000 -0.962) 5.538 4.697 ( 5.721 0.000 4.371) 7.200 4.753 ( 0.462 0.000 5.042) 5.063 4.850 ( -4.031 0.000 1.502) 4.301 4.935 ( 0.250 0.000 -1.273) 1.297 4.950 ( -8.512 0.000 0.446) 8.524 4.996 ( -2.025 0.000 -0.325) 2.051 5.052 ( -8.868 0.000 -1.607) 9.012 5.138 ( 0.391 0.000 -3.319) 3.342 5.153 ( 0.646 0.000 2.219) 2.311 5.215 ( -6.127 0.000 -4.350) 7.514 5.283 ( -3.250 0.000 -1.029) 3.409 5.443 ( -4.324 0.000 -1.422) 4.552 5.478 ( 8.622 0.000 -1.225) 8.708 5.495 ( -1.504 0.000 6.040) 6.225 5.547 ( 2.668 0.000 -0.906) 2.817 5.617 ( 8.017 0.000 -7.639) 11.074 5.853 ( -1.960 0.000 1.085) 2.241 5.874 ( -5.012 0.000 3.079) 5.882 6.012 ( -2.769 0.000 2.260) 3.574 6.029 ( -6.144 0.000 -4.104) 7.389 6.171 ( 3.648 0.000 9.593) 10.263 6.246 ( 4.245 0.000 -0.801) 4.319 6.282 ( 5.426 0.000 1.499) 5.630 6.306 ( 1.585 0.000 3.398) 3.750 6.692 ( 0.559 0.000 2.472) 2.535 6.793 ( 2.299 0.000 -3.320) 4.039 6.877 ( 3.896 0.000 0.779) 3.973 6.930 ( -3.307 0.000 -0.476) 3.341 6.995 ( -3.351 0.000 -2.895) 4.428 7.083 ( -0.875 0.000 -0.556) 1.037 7.166 ( 4.180 0.000 5.115) 6.605 7.259 ( 3.108 0.000 -3.528) 4.701 7.291 ( 2.372 0.000 3.656) 4.358 7.362 ( -0.458 0.000 -0.828) 0.946 7.468 ( -7.406 0.000 -1.388) 7.535 7.500 ( 3.504 0.000 -3.788) 5.160 7.702 ( -5.694 0.000 -1.927) 6.012 7.811 ( -3.676 0.000 -3.144) 4.837 7.963 ( -1.449 0.000 4.434) 4.665 8.004 ( -2.830 0.000 -2.255) 3.619 8.053 ( 3.028 0.000 3.212) 4.414 8.135 ( -0.587 0.000 -0.732) 0.938 8.247 ( -5.070 0.000 -2.838) 5.810 8.250 ( -4.827 0.000 -1.487) 5.051 8.496 ( -0.932 0.000 0.846) 1.259 8.547 ( -1.768 0.000 0.758) 1.924 8.602 ( -3.163 0.000 0.837) 3.272 8.733 ( -4.207 0.000 -0.254) 4.215 9.720 ( 0.678 0.000 0.631) 0.926 9.803 ( 0.986 0.000 -3.709) 3.838 9.949 ( 4.422 0.000 2.168) 4.925 10.055 ( 1.281 0.000 -1.789) 2.200 10.146 ( -0.967 0.000 4.072) 4.185 10.191 ( -3.333 0.000 3.897) 5.128 10.343 ( 0.933 0.000 1.292) 1.593 10.407 ( -3.139 0.000 1.477) 3.469 10.781 ( 5.626 0.000 9.927) 11.410 10.881 ( 2.065 0.000 2.759) 3.446 10.952 ( 5.223 0.000 -6.785) 8.563 11.150 ( -3.129 0.000 -4.023) 5.096 11.203 ( -3.841 0.000 0.610) 3.889 11.224 ( -4.574 0.000 -2.975) 5.457 11.357 ( 3.895 0.000 2.933) 4.876 11.447 ( 1.454 0.000 1.860) 2.361 11.480 ( -0.484 0.000 -6.285) 6.304 11.608 ( -1.434 0.000 -7.539) 7.674 11.672 ( 6.700 0.000 1.009) 6.776 11.808 ( 0.501 0.000 3.537) 3.572 11.878 ( 2.609 0.000 0.746) 2.714 11.963 ( 2.336 0.000 19.772) 19.910 12.038 ( -4.620 0.000 2.050) 5.055 12.044 ( -0.128 0.000 2.086) 2.090 12.111 ( 1.530 0.000 1.359) 2.046 12.237 ( 9.530 0.000 -17.190) 19.655 12.503 ( 1.581 0.000 2.016) 2.562 12.605 ( -0.630 0.000 -4.556) 4.599 12.807 ( 4.290 0.000 -0.079) 4.290 12.871 ( -0.891 0.000 0.982) 1.326 13.116 ( -5.034 0.000 -6.094) 7.905 13.121 ( -6.173 0.000 -12.583) 14.016 13.309 ( -3.692 0.000 5.648) 6.747 13.331 ( -5.237 0.000 0.940) 5.320 13.634 ( 1.641 0.000 -2.447) 2.946 13.843 ( -3.706 0.000 0.047) 3.707 14.180 ( -3.232 0.000 6.032) 6.843 14.197 ( 0.054 0.000 -9.533) 9.533 14.847 ( 1.572 0.000 6.896) 7.073 14.854 ( 5.755 0.000 -0.852) 5.818 15.981 ( -0.554 0.000 2.243) 2.310 16.020 ( 0.363 0.000 -3.447) 3.466 16.271 ( 0.627 0.000 1.851) 1.955 16.285 ( 1.362 0.000 -1.060) 1.726 16.523 ( 1.775 0.000 -0.837) 1.963 16.547 ( -0.709 0.000 2.160) 2.274 16.678 ( 1.218 0.000 -0.638) 1.375 16.695 ( -0.300 0.000 1.404) 1.435 17.247 ( 1.398 0.000 -1.406) 1.983 17.326 ( -3.925 0.000 1.379) 4.160 17.364 ( 0.262 0.000 -0.497) 0.562 17.458 ( -3.731 0.000 -1.729) 4.113 19.372 ( 11.846 0.000 -0.763) 11.871 19.487 ( 6.435 0.000 0.739) 6.477 19.769 ( 17.870 0.000 -0.922) 17.894 19.883 ( 12.558 0.000 7.814) 14.791 20.336 ( -4.375 0.000 -1.104) 4.512 20.417 ( -7.276 0.000 3.511) 8.079 20.727 ( -5.073 0.000 1.362) 5.252 20.808 ( -7.234 0.000 -3.658) 8.107 21.991 ( 1.412 0.000 -0.304) 1.444 22.101 ( -3.581 0.000 -0.721) 3.653 22.335 ( 1.232 0.000 3.511) 3.721 22.515 ( -3.683 0.000 -4.365) 5.712 22.559 ( 0.689 0.000 -0.879) 1.117 22.563 ( -0.523 0.000 -0.168) 0.549 22.666 ( -1.093 0.000 1.506) 1.861 22.725 ( -2.831 0.000 0.960) 2.989 27.333 ( -0.127 0.000 1.667) 1.672 27.347 ( 1.098 0.000 -2.119) 2.387 27.400 ( -1.342 0.000 2.316) 2.676 27.437 ( -1.220 0.000 -1.338) 1.811 28.786 ( -0.933 0.000 4.467) 4.564 28.836 ( 1.372 0.000 -4.474) 4.680 29.033 ( -5.137 0.000 8.097) 9.589 29.100 ( -2.299 0.000 -6.796) 7.174 30.301 ( 1.243 0.000 2.096) 2.437 30.357 ( 0.951 0.000 -2.409) 2.590 30.783 ( 5.367 0.000 8.479) 10.035 30.811 ( 0.323 0.000 2.205) 2.228 30.973 ( 3.271 0.000 -5.660) 6.537 30.997 ( 6.777 0.000 -4.441) 8.103 31.574 ( -3.487 0.000 -1.465) 3.782 31.641 ( -6.895 0.000 -2.237) 7.248 ======================= Grid point 130 (68/78) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -2.969 0.000 -4.952) 5.773 1.972 ( 2.969 0.000 4.952) 5.773 2.083 ( 2.816 0.000 -13.063) 13.363 2.083 ( -2.816 0.000 13.063) 13.363 2.119 ( -8.559 0.000 0.849) 8.601 2.119 ( 8.559 0.000 -0.849) 8.601 2.399 ( -3.412 0.000 -7.923) 8.626 2.399 ( 3.412 0.000 7.923) 8.626 2.651 ( 0.831 0.000 -3.939) 4.026 2.651 ( -0.831 0.000 3.939) 4.026 2.793 ( -1.165 0.000 -0.665) 1.342 2.793 ( 1.165 0.000 0.665) 1.342 3.013 ( -0.794 0.000 -3.312) 3.406 3.013 ( 0.794 0.000 3.312) 3.406 3.054 ( -7.724 0.000 0.057) 7.725 3.054 ( 7.724 0.000 -0.057) 7.725 3.207 ( 3.872 0.000 -1.930) 4.326 3.207 ( -3.872 0.000 1.930) 4.326 3.242 ( -3.694 0.000 0.241) 3.702 3.242 ( 3.694 0.000 -0.241) 3.702 3.396 ( -9.831 0.000 -4.956) 11.009 3.396 ( 9.831 0.000 4.956) 11.009 3.525 ( 1.660 0.000 -4.214) 4.529 3.525 ( -1.660 0.000 4.214) 4.529 3.791 ( 9.823 0.000 -7.946) 12.635 3.791 ( -9.823 0.000 7.946) 12.635 3.942 ( -7.241 0.000 -0.567) 7.263 3.942 ( 7.241 0.000 0.567) 7.263 4.020 ( -6.088 0.000 -4.844) 7.780 4.020 ( 6.088 0.000 4.844) 7.780 4.178 ( -3.360 0.000 -8.542) 9.179 4.178 ( 3.360 0.000 8.542) 9.179 4.341 ( 15.145 0.000 -5.805) 16.219 4.341 ( -15.145 0.000 5.805) 16.219 4.691 ( -4.714 0.000 -3.741) 6.018 4.691 ( 4.714 0.000 3.741) 6.018 4.809 ( -4.177 0.000 0.221) 4.183 4.809 ( 4.177 0.000 -0.221) 4.183 4.823 ( 1.638 0.000 -5.622) 5.856 4.823 ( -1.638 0.000 5.622) 5.856 4.941 ( -6.079 0.000 -2.334) 6.512 4.941 ( 6.079 0.000 2.334) 6.512 4.974 ( -0.763 0.000 -0.552) 0.942 4.974 ( 0.763 0.000 0.552) 0.942 5.213 ( -2.561 0.000 -2.773) 3.774 5.213 ( 2.561 0.000 2.773) 3.774 5.304 ( -7.585 0.000 -2.101) 7.871 5.304 ( 7.585 0.000 2.101) 7.871 5.515 ( 2.162 0.000 -4.753) 5.222 5.515 ( -2.162 0.000 4.753) 5.222 5.719 ( -8.080 0.000 -0.652) 8.106 5.719 ( 8.080 0.000 0.652) 8.106 5.756 ( 8.851 0.000 -5.909) 10.642 5.756 ( -8.851 0.000 5.909) 10.642 5.971 ( 4.283 0.000 -5.193) 6.732 5.971 ( -4.283 0.000 5.193) 6.732 6.296 ( -1.098 0.000 -6.819) 6.907 6.296 ( 1.098 0.000 6.819) 6.907 6.309 ( 3.148 0.000 -1.973) 3.715 6.309 ( -3.148 0.000 1.973) 3.715 6.759 ( -1.476 0.000 -5.968) 6.148 6.759 ( 1.476 0.000 5.968) 6.148 6.921 ( -1.323 0.000 -2.374) 2.718 6.921 ( 1.323 0.000 2.374) 2.718 6.992 ( -5.303 0.000 -3.567) 6.391 6.992 ( 5.303 0.000 3.567) 6.391 7.276 ( 0.537 0.000 -6.580) 6.602 7.276 ( -0.537 0.000 6.580) 6.602 7.330 ( 1.781 0.000 -1.822) 2.548 7.330 ( -1.781 0.000 1.822) 2.548 7.429 ( -3.899 0.000 -6.316) 7.423 7.429 ( 3.899 0.000 6.316) 7.423 7.714 ( -4.365 0.000 -2.804) 5.188 7.714 ( 4.365 0.000 2.804) 5.188 7.967 ( 0.837 0.000 -2.263) 2.413 7.967 ( -0.837 0.000 2.263) 2.413 8.131 ( -0.923 0.000 -2.700) 2.854 8.131 ( 0.923 0.000 2.700) 2.854 8.175 ( -0.328 0.000 -0.865) 0.925 8.175 ( 0.328 0.000 0.865) 0.925 8.497 ( -1.465 0.000 0.009) 1.465 8.497 ( 1.465 0.000 -0.009) 1.465 8.649 ( -3.667 0.000 -2.113) 4.232 8.649 ( 3.667 0.000 2.113) 4.232 9.760 ( -1.810 0.000 -2.514) 3.097 9.760 ( 1.810 0.000 2.514) 3.097 10.036 ( -1.881 0.000 -2.777) 3.354 10.036 ( 1.881 0.000 2.777) 3.354 10.162 ( -1.270 0.000 0.112) 1.275 10.162 ( 1.270 0.000 -0.112) 1.275 10.374 ( -1.774 0.000 0.296) 1.798 10.374 ( 1.774 0.000 -0.296) 1.798 10.927 ( -0.357 0.000 -8.073) 8.081 10.927 ( 0.357 0.000 8.073) 8.081 11.003 ( -6.941 0.000 -6.727) 9.666 11.003 ( 6.941 0.000 6.727) 9.666 11.161 ( 0.554 0.000 -0.678) 0.876 11.161 ( -0.554 0.000 0.678) 0.876 11.432 ( -0.208 0.000 -4.823) 4.827 11.432 ( 0.208 0.000 4.823) 4.827 11.510 ( -2.046 0.000 -6.077) 6.412 11.510 ( 2.046 0.000 6.077) 6.412 11.797 ( -5.214 0.000 1.487) 5.422 11.797 ( 5.214 0.000 -1.487) 5.422 11.927 ( -4.161 0.000 0.568) 4.200 11.927 ( 4.161 0.000 -0.568) 4.200 12.096 ( -2.158 0.000 -1.799) 2.810 12.096 ( 2.158 0.000 1.799) 2.810 12.177 ( 2.934 0.000 -20.590) 20.798 12.177 ( -2.934 0.000 20.590) 20.798 12.556 ( -2.158 0.000 -1.326) 2.532 12.556 ( 2.158 0.000 1.326) 2.532 12.926 ( 0.748 0.000 -2.889) 2.985 12.926 ( -0.748 0.000 2.889) 2.985 12.936 ( 3.709 0.000 -1.882) 4.159 12.936 ( -3.709 0.000 1.882) 4.159 13.308 ( 1.396 0.000 -3.249) 3.536 13.308 ( -1.396 0.000 3.249) 3.536 13.719 ( -6.379 0.000 -2.983) 7.042 13.719 ( 6.379 0.000 2.983) 7.042 14.173 ( 3.158 0.000 -5.512) 6.353 14.173 ( -3.158 0.000 5.512) 6.353 14.899 ( 1.675 0.000 -4.068) 4.400 14.899 ( -1.675 0.000 4.068) 4.400 15.997 ( 0.350 0.000 -3.004) 3.025 15.997 ( -0.350 0.000 3.004) 3.025 16.288 ( 0.463 0.000 -1.704) 1.766 16.288 ( -0.463 0.000 1.704) 1.766 16.542 ( 1.375 0.000 -1.203) 1.827 16.542 ( -1.375 0.000 1.203) 1.827 16.692 ( 1.022 0.000 -0.843) 1.325 16.692 ( -1.022 0.000 0.843) 1.325 17.277 ( -2.775 0.000 0.822) 2.894 17.277 ( 2.775 0.000 -0.822) 2.894 17.390 ( -2.415 0.000 -0.823) 2.551 17.390 ( 2.415 0.000 0.823) 2.551 19.517 ( -4.130 0.000 0.745) 4.197 19.517 ( 4.130 0.000 -0.745) 4.197 19.999 ( 7.368 0.000 -3.363) 8.099 19.999 ( -7.368 0.000 3.363) 8.099 20.314 ( 5.178 0.000 -1.750) 5.465 20.314 ( -5.178 0.000 1.750) 5.465 20.700 ( -0.639 0.000 -2.986) 3.054 20.700 ( 0.639 0.000 2.986) 3.054 22.033 ( -3.001 0.000 -0.643) 3.070 22.033 ( 3.001 0.000 0.643) 3.070 22.410 ( -2.969 0.000 -4.720) 5.576 22.410 ( 2.969 0.000 4.720) 5.576 22.561 ( 0.507 0.000 -0.965) 1.090 22.561 ( -0.507 0.000 0.965) 1.090 22.682 ( -1.332 0.000 -1.286) 1.851 22.682 ( 1.332 0.000 1.286) 1.851 27.344 ( 0.605 0.000 -2.058) 2.145 27.344 ( -0.605 0.000 2.058) 2.145 27.408 ( -0.195 0.000 -1.839) 1.850 27.408 ( 0.195 0.000 1.839) 1.850 28.813 ( 0.809 0.000 -4.820) 4.888 28.813 ( -0.809 0.000 4.820) 4.888 29.035 ( 2.056 0.000 -7.355) 7.637 29.035 ( -2.056 0.000 7.355) 7.637 30.338 ( -0.525 0.000 -2.462) 2.517 30.338 ( 0.525 0.000 2.462) 2.517 30.839 ( -0.343 0.000 -1.533) 1.571 30.839 ( 0.343 0.000 1.533) 1.571 31.016 ( -0.160 0.000 -4.318) 4.321 31.016 ( 0.160 0.000 4.318) 4.321 31.553 ( -1.534 0.000 -0.777) 1.720 31.553 ( 1.534 0.000 0.777) 1.720 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.057 10.786 -13.804) 17.982 1.303 ( -4.057 10.786 13.804) 17.982 1.731 ( 1.096 18.685 -11.209) 21.817 1.731 ( -1.096 18.685 11.209) 21.817 1.829 ( -1.454 -2.617 -6.785) 7.416 1.829 ( 1.454 -2.617 6.785) 7.416 2.423 ( 2.058 -1.121 -5.705) 6.167 2.423 ( -2.058 -1.121 5.705) 6.167 2.474 ( -0.367 -4.778 -5.025) 6.944 2.474 ( 0.367 -4.778 5.025) 6.944 2.740 ( 2.029 2.727 -9.516) 10.105 2.740 ( -2.029 2.727 9.516) 10.105 2.959 ( 4.106 0.158 -9.493) 10.344 2.959 ( -4.106 0.158 9.493) 10.344 3.027 ( -1.441 -3.505 -1.653) 4.135 3.027 ( 1.441 -3.505 1.653) 4.135 3.141 ( -2.343 5.045 -2.298) 6.018 3.141 ( 2.343 5.045 2.298) 6.018 3.273 ( 5.274 3.717 -6.258) 8.988 3.273 ( -5.274 3.717 6.258) 8.988 3.368 ( 2.330 -2.198 -3.400) 4.672 3.368 ( -2.330 -2.198 3.400) 4.672 3.437 ( -2.126 -4.357 -2.296) 5.364 3.437 ( 2.126 -4.357 2.296) 5.364 3.643 ( 6.454 -2.257 -3.523) 7.692 3.643 ( -6.454 -2.257 3.523) 7.692 3.760 ( -2.593 -5.490 -2.581) 6.598 3.760 ( 2.593 -5.490 2.581) 6.598 4.072 ( -4.164 -0.680 -2.335) 4.822 4.072 ( 4.164 -0.680 2.335) 4.822 4.130 ( -8.744 3.306 -2.814) 9.762 4.130 ( 8.744 3.306 2.814) 9.762 4.454 ( -3.061 -0.483 -8.873) 9.399 4.454 ( 3.061 -0.483 8.873) 9.399 4.570 ( 0.106 -8.113 -6.354) 10.305 4.570 ( -0.106 -8.113 6.354) 10.305 4.771 ( -0.069 -2.017 -0.889) 2.205 4.771 ( 0.069 -2.017 0.889) 2.205 4.883 ( -4.103 1.242 -0.769) 4.355 4.883 ( 4.103 1.242 0.769) 4.355 5.027 ( -0.114 -0.688 -6.145) 6.185 5.027 ( 0.114 -0.688 6.145) 6.185 5.216 ( 0.945 -4.409 -6.333) 7.774 5.216 ( -0.945 -4.409 6.333) 7.774 5.291 ( -1.120 3.196 -0.921) 3.510 5.291 ( 1.120 3.196 0.921) 3.510 5.439 ( -0.905 -1.235 -2.657) 3.067 5.439 ( 0.905 -1.235 2.657) 3.067 5.556 ( 1.904 4.693 -1.285) 5.225 5.556 ( -1.904 4.693 1.285) 5.225 5.657 ( 0.566 1.104 -2.068) 2.412 5.657 ( -0.566 1.104 2.068) 2.412 5.767 ( 0.429 3.007 -2.333) 3.830 5.767 ( -0.429 3.007 2.333) 3.830 5.901 ( -4.781 -4.335 -3.068) 7.145 5.901 ( 4.781 -4.335 3.068) 7.145 6.117 ( -2.722 2.578 -1.289) 3.965 6.117 ( 2.722 2.578 1.289) 3.965 6.216 ( 1.642 -0.293 -2.009) 2.612 6.216 ( -1.642 -0.293 2.009) 2.612 6.749 ( -0.481 -1.270 -1.751) 2.216 6.749 ( 0.481 -1.270 1.751) 2.216 6.927 ( -1.196 4.496 -1.755) 4.973 6.927 ( 1.196 4.496 1.755) 4.973 7.067 ( -1.393 -1.899 -1.005) 2.561 7.067 ( 1.393 -1.899 1.005) 2.561 7.152 ( -5.259 -0.200 -2.468) 5.813 7.152 ( 5.259 -0.200 2.468) 5.813 7.276 ( -2.403 -1.271 -2.706) 3.835 7.276 ( 2.403 -1.271 2.706) 3.835 7.601 ( -1.283 4.417 -3.319) 5.672 7.601 ( 1.283 4.417 3.319) 5.672 7.788 ( -2.674 -2.086 -3.633) 4.970 7.788 ( 2.674 -2.086 3.633) 4.970 7.983 ( 1.718 0.373 -2.934) 3.420 7.983 ( -1.718 0.373 2.934) 3.420 8.272 ( 0.305 0.290 -3.479) 3.504 8.272 ( -0.305 0.290 3.479) 3.504 8.465 ( -2.638 -2.767 -1.268) 4.027 8.465 ( 2.638 -2.767 1.268) 4.027 8.732 ( -1.976 3.952 0.030) 4.419 8.732 ( 1.976 3.952 -0.030) 4.419 8.833 ( 0.960 1.096 -0.537) 1.552 8.833 ( -0.960 1.096 0.537) 1.552 9.744 ( -1.532 -0.632 -1.349) 2.137 9.744 ( 1.532 -0.632 1.349) 2.137 9.951 ( -3.135 4.531 -2.762) 6.163 9.951 ( 3.135 4.531 2.762) 6.163 10.163 ( -1.497 0.112 -1.317) 1.997 10.163 ( 1.497 0.112 1.317) 1.997 10.463 ( 0.239 0.611 -6.882) 6.913 10.463 ( -0.239 0.611 6.882) 6.913 10.540 ( 3.121 -1.856 -6.313) 7.283 10.540 ( -3.121 -1.856 6.313) 7.283 10.777 ( 2.938 -1.281 -3.208) 4.535 10.777 ( -2.938 -1.281 3.208) 4.535 11.102 ( -1.717 -5.948 -4.048) 7.397 11.102 ( 1.717 -5.948 4.048) 7.397 11.314 ( -1.818 -4.296 -0.986) 4.768 11.314 ( 1.818 -4.296 0.986) 4.768 11.528 ( -0.489 0.863 -3.166) 3.317 11.528 ( 0.489 0.863 3.166) 3.317 11.608 ( -4.385 -2.237 -4.105) 6.410 11.608 ( 4.385 -2.237 4.105) 6.410 11.854 ( -1.211 8.197 -1.774) 8.474 11.854 ( 1.211 8.197 1.774) 8.474 12.100 ( 0.643 3.159 -1.043) 3.388 12.100 ( -0.643 3.159 1.043) 3.388 12.183 ( -2.985 -5.456 -4.255) 7.535 12.183 ( 2.985 -5.456 4.255) 7.535 12.489 ( -1.465 -0.611 -5.058) 5.302 12.489 ( 1.465 -0.611 5.058) 5.302 12.964 ( 1.613 2.733 -5.910) 6.708 12.964 ( -1.613 2.733 5.910) 6.708 13.250 ( 0.775 -3.690 -4.736) 6.053 13.250 ( -0.775 -3.690 4.736) 6.053 13.525 ( -1.183 -0.025 -1.766) 2.126 13.525 ( 1.183 -0.025 1.766) 2.126 13.831 ( -3.106 0.254 -3.613) 4.771 13.831 ( 3.106 0.254 3.613) 4.771 14.441 ( -1.886 0.100 -3.430) 3.916 14.441 ( 1.886 0.100 3.430) 3.916 14.675 ( 3.464 1.052 -12.106) 12.636 14.675 ( -3.464 1.052 12.106) 12.636 16.058 ( 0.939 1.281 -1.855) 2.442 16.058 ( -0.939 1.281 1.855) 2.442 16.127 ( -0.606 -0.559 -2.025) 2.187 16.127 ( 0.606 -0.559 2.025) 2.187 16.492 ( 0.310 0.344 -1.722) 1.783 16.492 ( -0.310 0.344 1.722) 1.783 16.617 ( 0.661 0.353 -0.877) 1.154 16.617 ( -0.661 0.353 0.877) 1.154 17.439 ( -1.663 1.218 -2.922) 3.576 17.439 ( 1.663 1.218 2.922) 3.576 17.575 ( -2.213 -2.052 -0.535) 3.064 17.575 ( 2.213 -2.052 0.535) 3.064 18.960 ( -4.411 1.270 -0.103) 4.591 18.960 ( 4.411 1.270 0.103) 4.591 19.043 ( -5.713 -0.789 0.231) 5.772 19.043 ( 5.713 -0.789 -0.231) 5.772 20.544 ( 0.410 1.520 -2.253) 2.749 20.544 ( -0.410 1.520 2.253) 2.749 21.058 ( -1.882 -1.600 -1.521) 2.901 21.058 ( 1.882 -1.600 1.521) 2.901 22.090 ( -1.024 0.312 -2.804) 3.001 22.090 ( 1.024 0.312 2.804) 3.001 22.487 ( -2.554 -1.649 -1.262) 3.292 22.487 ( 2.554 -1.649 1.262) 3.292 22.613 ( -2.317 3.388 -2.183) 4.649 22.613 ( 2.317 3.388 2.183) 4.649 22.729 ( 0.459 -1.838 -1.539) 2.440 22.729 ( -0.459 -1.838 1.539) 2.440 27.330 ( 0.811 0.214 -1.014) 1.316 27.330 ( -0.811 0.214 1.014) 1.316 27.453 ( 1.786 -0.167 -1.734) 2.495 27.453 ( -1.786 -0.167 1.734) 2.495 28.832 ( 2.170 1.707 -2.359) 3.631 28.832 ( -2.170 1.707 2.359) 3.631 29.202 ( 6.901 -1.415 -5.544) 8.964 29.202 ( -6.901 -1.415 5.544) 8.964 30.277 ( -1.580 2.205 -0.367) 2.738 30.277 ( 1.580 2.205 0.367) 2.738 30.383 ( -6.468 -1.748 0.916) 6.762 30.383 ( 6.468 -1.748 -0.916) 6.762 30.900 ( 3.689 -1.023 -3.718) 5.337 30.900 ( -3.689 -1.023 3.718) 5.337 31.988 ( -0.248 -0.666 -5.964) 6.006 31.988 ( 0.248 -0.666 5.964) 6.006 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 17.111 10.731 -14.468) 24.844 1.524 ( 12.582 6.939 11.258) 18.254 1.723 ( 13.021 22.564 -12.673) 28.970 1.829 ( 9.302 -4.002 5.187) 11.377 1.946 ( 7.954 14.493 11.004) 19.860 2.050 ( 12.189 -9.858 3.114) 15.982 2.363 ( -1.640 -3.743 -3.379) 5.303 2.424 ( 2.467 -1.084 -5.717) 6.320 2.522 ( 4.409 -1.322 3.034) 5.513 2.557 ( 4.743 -3.562 -0.359) 5.942 2.673 ( 1.062 3.349 -6.400) 7.301 2.795 ( -0.553 9.040 -1.159) 9.131 2.892 ( -5.805 -2.681 5.420) 8.383 2.932 ( -0.819 -0.959 -5.437) 5.581 2.943 ( -4.015 -3.383 -8.740) 10.195 3.073 ( -1.884 1.021 1.673) 2.719 3.114 ( 8.111 2.877 -3.295) 9.215 3.159 ( 0.016 0.516 -1.450) 1.539 3.209 ( -1.750 2.918 -4.218) 5.419 3.267 ( -0.267 2.342 -3.850) 4.514 3.360 ( -1.254 -3.432 0.763) 3.732 3.367 ( -0.984 4.844 0.310) 4.953 3.408 ( 2.114 -5.058 -2.325) 5.954 3.511 ( 3.758 -0.637 -0.145) 3.815 3.544 ( -2.738 -6.099 1.691) 6.896 3.623 ( 0.767 -0.893 -7.044) 7.142 3.758 ( 0.331 -2.681 -0.876) 2.840 3.895 ( 5.791 -4.910 6.585) 10.050 3.961 ( -7.632 3.732 0.344) 8.502 4.031 ( 0.775 -3.629 -1.331) 3.942 4.205 ( 5.327 -0.992 3.462) 6.431 4.305 ( 6.375 2.469 -0.894) 6.895 4.347 ( -0.078 -1.255 -2.193) 2.528 4.495 ( -2.930 -3.101 -3.497) 5.516 4.529 ( -1.574 -2.401 -1.178) 3.104 4.598 ( -2.163 -8.408 4.042) 9.576 4.735 ( -2.759 -0.049 0.790) 2.871 4.795 ( 2.290 -2.100 2.988) 4.311 4.861 ( -0.160 1.838 2.768) 3.327 4.924 ( -4.981 1.709 -0.727) 5.317 4.959 ( -1.026 -2.345 2.526) 3.596 5.080 ( 4.642 1.703 1.944) 5.313 5.169 ( -1.171 -5.085 -2.747) 5.897 5.228 ( -1.040 0.510 -0.121) 1.164 5.244 ( -2.843 -1.349 0.065) 3.147 5.344 ( -0.271 0.167 0.352) 0.474 5.423 ( -1.300 0.952 -0.638) 1.733 5.472 ( -4.576 3.117 2.811) 6.209 5.495 ( 1.393 0.942 2.442) 2.965 5.574 ( -2.925 3.598 1.397) 4.843 5.595 ( -0.721 -2.511 -2.799) 3.829 5.669 ( -1.118 2.879 1.484) 3.426 5.753 ( -0.457 -0.759 4.006) 4.103 5.831 ( 3.038 3.083 2.218) 4.864 5.887 ( 4.532 0.483 -0.446) 4.580 5.993 ( 1.647 -1.153 0.963) 2.229 6.072 ( 0.216 1.331 -0.375) 1.399 6.156 ( 1.654 -0.814 -2.309) 2.954 6.201 ( -1.372 0.787 2.095) 2.625 6.221 ( -0.394 -0.768 -0.614) 1.059 6.743 ( 1.411 0.757 -0.621) 1.717 6.809 ( 3.554 -2.420 -1.490) 4.551 6.863 ( -1.142 4.689 -1.282) 4.994 6.920 ( -1.287 1.266 -6.037) 6.302 7.018 ( -3.100 0.752 3.483) 4.723 7.065 ( -3.180 0.298 1.181) 3.405 7.101 ( 0.005 -2.134 1.501) 2.609 7.192 ( -1.180 -4.084 0.396) 4.269 7.287 ( 4.020 1.825 0.622) 4.458 7.374 ( 4.668 -0.576 1.404) 4.909 7.529 ( -4.335 5.950 -0.212) 7.364 7.613 ( -3.115 0.625 2.679) 4.156 7.702 ( -1.390 -0.370 -1.106) 1.814 7.808 ( -0.359 -5.584 0.468) 5.615 8.039 ( 2.106 1.116 3.567) 4.290 8.090 ( 3.660 -0.968 4.180) 5.640 8.190 ( -3.330 1.768 -5.164) 6.394 8.219 ( -5.698 0.594 -1.943) 6.049 8.388 ( -4.825 -1.343 0.156) 5.011 8.473 ( -2.389 -3.025 -1.813) 4.260 8.666 ( -4.617 4.508 -0.289) 6.460 8.696 ( -5.516 4.133 -0.960) 6.959 8.788 ( -1.325 0.671 0.704) 1.644 8.821 ( -2.293 -0.408 -2.438) 3.371 9.726 ( 0.223 0.194 -0.345) 0.454 9.792 ( 1.453 -1.635 0.957) 2.388 9.856 ( -1.333 4.992 -3.846) 6.441 9.978 ( 0.682 0.320 -0.965) 1.224 10.153 ( -2.724 1.999 5.878) 6.780 10.233 ( -1.706 0.415 9.838) 9.994 10.400 ( -2.278 0.086 -4.344) 4.906 10.474 ( -5.824 -3.255 2.952) 7.295 10.534 ( -2.412 1.380 9.740) 10.128 10.611 ( 9.366 -2.042 1.196) 9.660 10.804 ( 5.618 2.204 -0.176) 6.037 10.962 ( 15.418 -0.575 -6.670) 16.809 11.133 ( 8.041 -7.366 0.892) 10.942 11.220 ( 4.243 -3.756 4.955) 7.528 11.268 ( 0.681 -5.926 -2.121) 6.331 11.353 ( 1.514 -3.891 -0.485) 4.203 11.448 ( -3.836 1.038 -4.289) 5.847 11.505 ( 0.009 -2.642 -0.699) 2.733 11.608 ( 1.938 2.417 1.897) 3.633 11.693 ( 1.708 -0.804 -0.354) 1.921 11.854 ( 3.122 8.866 -0.877) 9.441 11.886 ( 1.780 4.888 -1.879) 5.531 12.034 ( -2.280 -2.315 -6.418) 7.194 12.097 ( 1.912 1.861 -1.669) 3.148 12.131 ( -2.579 0.790 0.845) 2.827 12.265 ( 1.076 -1.304 1.336) 2.155 12.397 ( -3.434 -1.198 1.400) 3.897 12.569 ( 2.454 -2.853 1.441) 4.030 12.915 ( 0.046 4.057 -7.895) 8.877 12.964 ( -2.576 1.927 2.286) 3.947 13.189 ( -1.798 -2.591 -4.353) 5.375 13.234 ( -4.265 -5.141 3.533) 7.557 13.498 ( 1.983 -0.964 -6.699) 7.053 13.528 ( 1.155 -1.936 -10.615) 10.851 13.783 ( -3.326 3.122 8.549) 9.690 13.907 ( -2.627 -0.664 9.553) 9.930 14.318 ( -8.970 3.771 -0.203) 9.732 14.504 ( -1.862 -3.847 -2.996) 5.220 14.608 ( 4.434 3.162 -7.255) 9.072 14.694 ( -2.368 -0.157 7.613) 7.974 16.015 ( -2.149 1.730 1.081) 2.964 16.067 ( -0.150 -0.337 -2.322) 2.351 16.163 ( 4.610 -0.087 -0.079) 4.612 16.176 ( 2.528 -0.376 1.650) 3.042 16.495 ( 1.154 1.046 -0.426) 1.615 16.509 ( 0.033 0.378 2.070) 2.105 16.630 ( 0.867 0.065 1.882) 2.073 16.634 ( 1.345 0.106 0.067) 1.351 17.358 ( -3.436 1.261 -3.504) 5.067 17.433 ( -4.111 -1.369 0.272) 4.342 17.506 ( -4.384 0.699 0.218) 4.444 17.585 ( -1.651 -1.697 -0.244) 2.380 19.008 ( 7.309 -0.517 1.045) 7.402 19.031 ( 7.195 -0.762 0.073) 7.236 19.151 ( 15.186 2.025 -0.256) 15.322 19.215 ( 13.577 -0.470 -0.453) 13.592 20.513 ( -1.895 1.892 -1.606) 3.123 20.540 ( -2.572 0.981 2.771) 3.905 20.965 ( -6.545 0.091 -0.778) 6.591 21.049 ( -3.995 -3.504 0.071) 5.315 22.043 ( -1.514 1.345 -2.099) 2.917 22.122 ( -0.178 -1.384 2.493) 2.857 22.418 ( -3.077 1.901 -1.684) 3.990 22.521 ( 1.068 -2.492 -0.654) 2.788 22.577 ( -1.016 2.597 0.056) 2.790 22.690 ( 1.752 1.137 4.331) 4.809 22.702 ( -1.810 -2.158 -0.043) 2.817 22.721 ( -1.795 -0.286 0.178) 1.826 27.325 ( -0.596 0.333 0.926) 1.151 27.335 ( 0.854 -0.081 -1.098) 1.394 27.435 ( -2.052 0.399 1.973) 2.875 27.464 ( 0.640 -0.764 -0.984) 1.401 28.807 ( -2.393 2.066 2.297) 3.908 28.848 ( 1.501 0.767 -2.231) 2.796 29.129 ( -7.512 0.783 7.930) 10.951 29.250 ( 0.607 -3.960 -1.668) 4.339 30.249 ( -0.298 1.145 0.768) 1.411 30.302 ( -0.621 -0.552 0.413) 0.928 30.376 ( 8.548 4.342 -0.364) 9.594 30.573 ( 14.000 -3.653 -5.072) 15.332 30.872 ( -2.787 0.391 3.768) 4.703 30.933 ( 3.834 -1.973 -4.122) 5.965 31.873 ( -6.026 1.389 -5.309) 8.151 31.967 ( -7.444 -2.386 3.240) 8.462 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 17.528 8.977 -13.106) 23.655 1.836 ( 16.497 12.215 -6.249) 21.457 1.927 ( 10.652 5.657 3.740) 12.628 2.091 ( 8.211 -4.089 -3.870) 9.956 2.177 ( 8.241 4.084 10.954) 14.303 2.254 ( 3.967 -1.828 1.960) 4.787 2.307 ( 8.187 -9.581 -4.893) 13.519 2.441 ( 2.829 -1.204 -2.423) 3.914 2.583 ( 0.434 -2.617 -5.706) 6.293 2.635 ( 5.069 -0.473 -4.364) 6.705 2.708 ( 4.927 5.602 2.624) 7.909 2.729 ( -0.501 4.072 -2.276) 4.692 2.830 ( -3.174 -0.178 0.677) 3.250 2.842 ( 0.112 2.012 -0.293) 2.036 2.915 ( 4.773 0.043 -6.972) 8.450 3.036 ( -4.352 -1.393 -2.995) 5.464 3.103 ( 3.128 0.724 -6.557) 7.301 3.164 ( -2.075 -3.491 3.176) 5.156 3.237 ( 1.110 6.148 0.027) 6.248 3.243 ( -2.116 5.532 4.493) 7.434 3.350 ( 4.504 2.463 -1.485) 5.344 3.409 ( 4.804 -0.980 2.363) 5.442 3.450 ( 4.315 -2.450 -3.667) 6.170 3.558 ( 2.950 3.348 -4.465) 6.312 3.610 ( 7.369 0.786 0.804) 7.455 3.636 ( 6.841 -4.634 -2.033) 8.509 3.734 ( -2.241 -1.672 2.968) 4.077 3.867 ( -4.399 3.047 0.780) 5.407 4.043 ( 3.964 -4.963 -1.246) 6.473 4.055 ( 5.247 -4.917 0.980) 7.257 4.221 ( -5.885 -0.664 -0.426) 5.938 4.286 ( 2.619 -1.571 -6.891) 7.538 4.373 ( -5.860 1.625 -1.975) 6.394 4.473 ( 5.473 -3.782 3.766) 7.645 4.528 ( -1.504 -4.464 1.888) 5.075 4.558 ( 1.756 -3.613 -0.777) 4.092 4.706 ( -2.062 1.906 1.925) 3.404 4.808 ( -4.488 3.850 1.179) 6.029 4.828 ( -1.005 -5.206 1.542) 5.522 4.921 ( -2.358 2.537 5.205) 6.252 5.008 ( 1.467 -0.074 2.897) 3.249 5.099 ( -3.957 -0.158 -1.552) 4.253 5.112 ( -0.571 -4.324 -1.868) 4.744 5.143 ( -6.950 -2.074 3.460) 8.035 5.276 ( -4.061 3.262 -0.947) 5.294 5.287 ( 3.282 -0.272 -1.803) 3.754 5.376 ( -1.687 4.867 0.369) 5.164 5.430 ( -4.741 -1.048 1.026) 4.962 5.498 ( -3.381 -2.048 -1.329) 4.170 5.509 ( 0.722 3.625 0.401) 3.718 5.599 ( -0.940 2.816 0.181) 2.974 5.660 ( -1.332 3.920 1.669) 4.464 5.829 ( 2.538 0.228 2.089) 3.295 5.892 ( 1.250 1.816 1.976) 2.960 5.960 ( 3.016 -2.190 0.648) 3.783 6.015 ( -0.078 -1.611 4.781) 5.045 6.125 ( -0.443 -2.301 -2.985) 3.795 6.134 ( 4.941 -1.295 -0.258) 5.115 6.202 ( -0.433 0.250 1.794) 1.862 6.235 ( 1.030 0.615 5.449) 5.579 6.733 ( -2.367 2.347 -1.429) 3.627 6.790 ( 0.865 0.525 -4.423) 4.537 6.858 ( 2.605 1.587 -4.272) 5.249 6.942 ( 3.537 -2.454 1.831) 4.678 7.013 ( -3.161 -0.451 1.243) 3.426 7.043 ( 0.806 -0.192 3.075) 3.184 7.093 ( -1.619 -0.941 1.144) 2.194 7.191 ( 0.810 -4.407 0.640) 4.526 7.319 ( -1.482 3.770 -0.711) 4.113 7.421 ( 0.456 1.526 0.481) 1.664 7.478 ( 0.258 4.041 -1.953) 4.496 7.574 ( -3.038 0.045 1.204) 3.268 7.726 ( 1.869 -3.045 1.152) 3.754 7.807 ( -0.151 -8.078 -1.096) 8.153 7.985 ( -5.603 0.846 -1.823) 5.953 8.038 ( -7.845 0.549 -0.592) 7.887 8.147 ( -1.850 2.543 0.213) 3.152 8.169 ( 0.461 1.439 -0.495) 1.590 8.317 ( -3.393 -0.918 1.060) 3.672 8.370 ( -5.062 -1.391 -2.948) 6.021 8.566 ( -5.724 3.995 -1.395) 7.119 8.610 ( -3.000 3.024 0.167) 4.263 8.717 ( -5.652 0.083 -0.906) 5.725 8.784 ( -1.942 -0.470 1.170) 2.316 9.726 ( -0.446 0.488 0.252) 0.707 9.789 ( 1.345 -0.405 -2.016) 2.457 9.884 ( 4.019 2.227 -1.169) 4.741 9.999 ( 2.098 -2.375 -0.408) 3.196 10.153 ( -3.295 2.424 4.852) 6.347 10.236 ( -5.044 1.229 6.500) 8.318 10.337 ( -1.186 -0.037 -0.295) 1.222 10.424 ( -2.800 -3.456 1.392) 4.660 10.625 ( 2.961 2.065 9.867) 10.506 10.781 ( 6.590 -5.155 1.352) 8.476 10.878 ( 2.617 4.015 1.912) 5.160 11.148 ( 6.661 2.433 0.120) 7.092 11.225 ( 5.173 -5.325 -4.933) 8.914 11.287 ( -1.333 -3.406 -0.134) 3.660 11.309 ( -2.454 -3.680 1.237) 4.593 11.349 ( 5.564 -2.394 -2.351) 6.497 11.534 ( 10.132 -1.696 8.545) 13.362 11.550 ( 3.206 -1.630 2.804) 4.560 11.610 ( -2.600 3.841 -1.430) 4.853 11.704 ( 1.768 0.756 -0.556) 2.002 11.840 ( 0.074 4.597 -4.464) 6.408 11.906 ( -0.391 2.358 -2.710) 3.614 12.020 ( 5.178 -0.720 -1.474) 5.431 12.068 ( -0.960 -1.006 -2.977) 3.286 12.138 ( 3.748 0.873 -2.833) 4.778 12.249 ( -1.459 6.343 -0.294) 6.515 12.406 ( -0.007 -4.485 3.536) 5.711 12.601 ( 0.631 -4.076 -0.566) 4.163 12.847 ( 0.462 4.787 -6.663) 8.217 12.922 ( -2.270 1.283 -0.772) 2.719 13.141 ( -0.219 -2.414 -3.185) 4.003 13.197 ( -2.398 -5.853 2.525) 6.810 13.374 ( -5.140 -0.045 -11.636) 12.721 13.462 ( -0.177 -2.378 -5.349) 5.856 13.812 ( -9.719 3.608 6.430) 12.199 13.853 ( -4.758 2.790 4.970) 7.425 14.188 ( -3.904 1.155 1.613) 4.379 14.332 ( -5.637 -2.413 -11.045) 12.633 14.720 ( 6.480 0.559 2.795) 7.079 14.762 ( 3.094 0.212 5.361) 6.194 15.999 ( -0.862 1.711 1.005) 2.164 16.044 ( 0.191 -0.172 -2.667) 2.679 16.228 ( 2.098 -0.336 1.332) 2.508 16.240 ( 3.072 -0.793 0.027) 3.172 16.517 ( 1.424 1.499 -0.341) 2.096 16.533 ( 0.345 0.478 2.546) 2.613 16.658 ( 1.067 -0.101 0.059) 1.073 16.667 ( 0.724 -0.549 2.038) 2.231 17.277 ( -1.704 1.019 -3.271) 3.826 17.352 ( -3.250 -2.258 -1.150) 4.121 17.430 ( -4.373 1.936 0.636) 4.825 17.523 ( -4.129 -1.923 -1.072) 4.679 19.172 ( 12.074 1.357 -0.339) 12.155 19.268 ( 13.671 -2.686 1.339) 13.996 19.455 ( 18.368 1.731 0.424) 18.455 19.522 ( 18.202 -0.477 4.621) 18.786 20.450 ( -3.785 2.227 -1.186) 4.549 20.502 ( -4.655 0.541 3.155) 5.650 20.833 ( -7.619 0.231 0.160) 7.624 20.929 ( -7.772 -4.041 -2.230) 9.039 22.010 ( -0.540 1.950 -0.866) 2.201 22.126 ( -1.430 -2.405 1.287) 3.080 22.364 ( -1.811 3.821 -0.137) 4.231 22.517 ( -0.225 -3.040 -2.037) 3.666 22.568 ( -0.394 1.703 0.511) 1.821 22.661 ( -2.362 -0.173 -0.664) 2.460 22.673 ( -2.635 0.206 -0.138) 2.646 22.734 ( -1.664 -0.878 3.794) 4.235 27.327 ( -0.193 0.318 1.004) 1.071 27.341 ( 0.927 -0.272 -1.143) 1.496 27.416 ( -1.870 0.561 1.699) 2.588 27.455 ( -0.789 -0.974 -0.717) 1.444 28.793 ( -1.672 1.827 2.936) 3.841 28.847 ( 0.924 -0.035 -2.654) 2.811 29.075 ( -6.353 1.203 7.418) 9.840 29.187 ( -4.456 -3.113 -2.693) 6.066 30.271 ( 1.211 0.909 1.491) 2.125 30.327 ( 2.065 -1.357 -0.166) 2.477 30.579 ( 11.580 3.709 3.304) 12.601 30.743 ( 8.956 -3.366 -5.167) 10.874 30.888 ( 1.693 0.758 3.390) 3.864 30.962 ( 4.110 -1.502 -4.866) 6.544 31.712 ( -6.643 1.924 -4.002) 7.991 31.808 ( -10.299 -1.730 -0.794) 10.473 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 18.130 5.009 -7.361) 20.199 1.975 ( 11.766 5.450 -15.855) 20.482 2.034 ( 6.632 -1.463 -12.084) 13.862 2.099 ( -7.756 1.235 12.796) 15.014 2.231 ( -4.794 1.336 1.965) 5.351 2.313 ( 1.114 2.606 6.389) 6.989 2.380 ( -8.287 3.265 1.521) 9.036 2.518 ( 2.597 -8.719 0.418) 9.107 2.524 ( 1.145 -1.487 -11.441) 11.594 2.621 ( 1.738 -0.071 -2.726) 3.234 2.726 ( 2.798 -0.952 -2.626) 3.953 2.808 ( 0.565 -2.855 -2.306) 3.714 2.874 ( 5.450 -0.980 3.469) 6.534 2.937 ( 6.666 -4.222 3.828) 8.770 2.991 ( 10.074 3.585 -1.067) 10.746 3.066 ( 6.129 2.423 -0.510) 6.611 3.110 ( 3.860 2.931 0.534) 4.876 3.163 ( 2.512 -0.885 -0.145) 2.667 3.213 ( -1.377 4.762 0.142) 4.960 3.312 ( 2.032 4.850 5.276) 7.449 3.349 ( -2.246 3.511 0.543) 4.203 3.502 ( 2.486 -0.221 -2.598) 3.603 3.507 ( 0.752 0.890 5.547) 5.668 3.620 ( 2.361 -0.889 -1.152) 2.774 3.665 ( -1.892 -0.054 -3.700) 4.156 3.743 ( 1.512 -2.910 0.630) 3.339 3.811 ( 12.936 -1.629 -2.695) 13.314 3.875 ( 7.302 3.951 1.391) 8.418 4.003 ( -6.117 -3.449 -4.153) 8.159 4.115 ( 0.425 -0.299 1.325) 1.423 4.176 ( 2.399 1.459 -1.694) 3.279 4.262 ( -3.004 3.090 0.834) 4.390 4.287 ( 2.826 -3.375 -5.097) 6.735 4.467 ( -7.599 -5.968 5.480) 11.108 4.599 ( 4.433 -3.467 1.579) 5.845 4.637 ( 4.358 -2.046 -3.737) 6.094 4.703 ( 0.203 2.363 3.510) 4.236 4.766 ( -0.025 4.374 2.693) 5.136 4.833 ( -0.114 -4.370 0.304) 4.383 4.887 ( -5.334 2.060 2.687) 6.318 4.976 ( -4.124 -1.800 1.351) 4.698 5.014 ( -3.229 0.234 -0.571) 3.287 5.030 ( -5.450 -0.694 0.061) 5.494 5.130 ( -0.130 -1.984 2.094) 2.887 5.220 ( -7.046 1.970 -4.115) 8.394 5.255 ( 0.111 3.616 0.239) 3.625 5.281 ( -2.860 3.429 -4.998) 6.703 5.444 ( 2.685 0.846 4.374) 5.202 5.461 ( -3.820 -1.803 2.371) 4.844 5.536 ( 1.528 1.882 -2.860) 3.750 5.589 ( 2.563 3.975 0.255) 4.736 5.646 ( 1.746 3.016 -1.612) 3.840 5.835 ( -4.681 -1.259 2.092) 5.279 5.866 ( -5.245 -1.424 0.991) 5.524 5.972 ( 0.459 -1.474 -3.155) 3.513 6.028 ( -1.197 -3.576 -1.033) 3.910 6.160 ( 3.533 0.897 8.031) 8.819 6.232 ( 2.422 0.454 0.869) 2.612 6.277 ( 6.808 -1.067 -0.255) 6.896 6.299 ( -0.433 -1.497 5.488) 5.705 6.703 ( -0.265 1.079 1.924) 2.222 6.780 ( 1.218 -1.748 -2.303) 3.137 6.881 ( 2.309 0.871 -1.584) 2.932 6.936 ( -1.137 0.772 -1.131) 1.780 6.983 ( -2.996 -1.129 -0.742) 3.286 7.053 ( -1.620 -2.943 -1.263) 3.589 7.105 ( 2.397 -2.590 0.988) 3.665 7.227 ( 0.874 -4.596 -0.219) 4.684 7.316 ( 1.996 2.085 2.577) 3.870 7.393 ( -2.715 -0.917 0.339) 2.885 7.452 ( -0.658 4.995 -2.921) 5.824 7.576 ( 1.650 4.675 -1.878) 5.302 7.678 ( -4.518 -2.679 -1.867) 5.574 7.777 ( -2.014 -3.637 -0.532) 4.191 7.920 ( -0.933 -1.475 0.099) 1.748 7.966 ( -1.757 -1.462 1.675) 2.833 8.113 ( -1.180 1.779 0.387) 2.170 8.152 ( -0.913 0.577 -0.871) 1.387 8.255 ( -2.749 1.977 -1.768) 3.820 8.285 ( -3.769 1.868 -0.056) 4.207 8.481 ( -2.207 -0.038 0.010) 2.208 8.547 ( -4.296 -0.858 -0.627) 4.425 8.647 ( -1.512 3.689 1.295) 4.192 8.737 ( -3.728 -0.010 -0.003) 3.728 9.731 ( 0.867 1.310 1.028) 1.877 9.803 ( 1.404 -0.376 -2.799) 3.154 9.937 ( 2.469 -0.589 0.669) 2.625 10.023 ( 1.104 -3.099 -1.439) 3.590 10.136 ( -2.158 -0.058 3.459) 4.077 10.187 ( -3.894 -1.030 1.308) 4.235 10.353 ( 0.828 0.906 2.002) 2.348 10.393 ( -1.922 -1.028 1.453) 2.620 10.794 ( 6.352 1.190 8.064) 10.334 10.876 ( 4.626 -2.988 -0.253) 5.513 10.927 ( 0.690 3.032 1.584) 3.489 11.173 ( -2.846 -2.554 -1.482) 4.101 11.198 ( -1.473 3.613 -3.571) 5.289 11.279 ( 0.281 -0.994 -0.914) 1.379 11.353 ( 3.439 -0.020 3.720) 5.066 11.425 ( 2.872 -0.595 1.543) 3.314 11.508 ( -3.946 3.809 -4.509) 7.100 11.584 ( 0.724 -0.026 -4.491) 4.549 11.688 ( 2.324 -0.545 -0.485) 2.435 11.775 ( 1.484 -2.227 4.970) 5.645 11.869 ( 0.299 -3.451 9.090) 9.728 11.900 ( 1.731 1.244 0.357) 2.161 12.017 ( 0.661 -0.720 1.888) 2.126 12.146 ( 0.841 3.373 -0.104) 3.478 12.169 ( 9.914 -3.785 -11.113) 15.366 12.213 ( -2.623 6.918 0.357) 7.408 12.440 ( 1.526 -3.945 1.697) 4.558 12.577 ( -1.968 -3.502 -1.991) 4.483 12.826 ( 1.234 2.070 -1.977) 3.117 12.908 ( 1.706 0.869 -0.047) 1.915 13.056 ( -4.169 0.089 -7.023) 8.167 13.170 ( -2.126 -0.427 -5.284) 5.712 13.263 ( 0.581 0.496 1.936) 2.081 13.402 ( -4.818 0.632 1.678) 5.140 13.627 ( -4.450 1.644 -3.832) 6.099 13.811 ( -6.649 -3.183 -0.393) 7.382 14.174 ( -1.943 -0.222 3.912) 4.373 14.196 ( -0.117 -0.411 -5.776) 5.792 14.845 ( 3.976 0.363 3.335) 5.202 14.864 ( 3.459 0.284 2.416) 4.228 15.999 ( -0.354 1.490 1.433) 2.097 16.026 ( 0.375 0.387 -2.665) 2.719 16.266 ( 0.797 -0.408 1.339) 1.611 16.275 ( 1.391 -0.794 -0.798) 1.789 16.538 ( 1.422 1.304 -0.535) 2.002 16.555 ( -0.281 0.643 1.819) 1.950 16.671 ( 0.694 -0.551 -0.441) 0.990 16.684 ( -0.416 -0.953 1.255) 1.630 17.251 ( 1.108 0.521 -1.580) 1.998 17.305 ( -1.728 -1.706 -0.172) 2.435 17.375 ( -1.801 0.987 0.271) 2.072 17.439 ( -3.769 -1.674 -1.074) 4.261 19.390 ( 11.635 1.760 -0.723) 11.790 19.474 ( 7.944 -1.337 0.212) 8.059 19.782 ( 16.457 1.412 0.863) 16.540 19.868 ( 12.588 -1.537 6.820) 14.399 20.368 ( -3.548 2.960 -1.272) 4.792 20.433 ( -6.017 1.143 2.882) 6.769 20.710 ( -6.222 -1.354 0.815) 6.420 20.763 ( -7.054 -3.699 -3.577) 8.732 22.010 ( 0.933 1.872 0.227) 2.104 22.094 ( -2.526 -0.985 -0.223) 2.721 22.359 ( 0.282 2.236 1.948) 2.979 22.473 ( -1.915 -2.840 -3.479) 4.882 22.570 ( -0.006 1.300 0.718) 1.485 22.610 ( -1.653 3.006 -1.320) 3.676 22.649 ( -0.823 -1.640 1.281) 2.238 22.709 ( -2.892 -1.506 0.870) 3.375 27.336 ( 0.121 0.299 1.185) 1.228 27.348 ( 0.966 -0.037 -1.236) 1.569 27.401 ( -1.327 0.161 1.447) 1.970 27.428 ( -1.211 -0.787 -1.023) 1.770 28.800 ( -0.906 1.214 3.474) 3.790 28.836 ( 0.795 -0.141 -3.143) 3.245 29.037 ( -4.557 0.540 6.096) 7.630 29.086 ( -2.487 -1.257 -4.633) 5.406 30.308 ( 1.141 0.730 1.874) 2.313 30.348 ( 0.888 -0.832 -1.162) 1.683 30.766 ( 3.808 -0.639 4.120) 5.647 30.808 ( 3.046 -1.305 -1.444) 3.614 30.963 ( 3.545 0.664 1.363) 3.856 31.011 ( 5.693 0.096 -4.570) 7.301 31.589 ( -3.590 1.352 -2.212) 4.429 31.638 ( -6.645 -0.437 -1.611) 6.851 ======================= Grid point 140 (73/78) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -1.718 1.284 -2.044) 2.963 1.999 ( 1.718 1.284 2.044) 2.963 2.061 ( 8.433 0.927 -15.207) 17.413 2.061 ( -8.433 0.927 15.207) 17.413 2.195 ( -7.067 4.739 -0.204) 8.512 2.195 ( 7.067 4.739 0.204) 8.512 2.418 ( -1.716 -0.063 -7.638) 7.829 2.418 ( 1.716 -0.063 7.638) 7.829 2.578 ( -0.756 -3.420 -4.532) 5.728 2.578 ( 0.756 -3.420 4.532) 5.728 2.764 ( 2.111 -3.522 -3.512) 5.403 2.764 ( -2.111 -3.522 3.512) 5.403 2.989 ( -3.497 -1.126 -1.875) 4.124 2.989 ( 3.497 -1.126 1.875) 4.124 3.088 ( 4.144 -1.089 -3.449) 5.500 3.088 ( -4.144 -1.089 3.449) 5.500 3.207 ( -0.040 3.503 -0.354) 3.521 3.207 ( 0.040 3.503 0.354) 3.521 3.301 ( -6.721 3.708 0.366) 7.685 3.301 ( 6.721 3.708 -0.366) 7.685 3.440 ( -9.354 5.125 -1.638) 10.791 3.440 ( 9.354 5.125 1.638) 10.791 3.517 ( -0.967 -0.124 -1.384) 1.693 3.517 ( 0.967 -0.124 1.384) 1.693 3.732 ( 2.905 -6.188 -2.677) 7.342 3.732 ( -2.905 -6.188 2.677) 7.342 3.896 ( 2.102 -2.850 -1.891) 4.015 3.896 ( -2.102 -2.850 1.891) 4.015 4.065 ( -4.486 3.066 -0.718) 5.481 4.065 ( 4.486 3.066 0.718) 5.481 4.233 ( -1.538 4.110 -7.425) 8.625 4.233 ( 1.538 4.110 7.425) 8.625 4.336 ( -0.464 -1.650 -1.467) 2.256 4.336 ( 0.464 -1.650 1.467) 2.256 4.663 ( 1.002 -3.247 -3.963) 5.220 4.663 ( -1.002 -3.247 3.963) 5.220 4.771 ( -4.663 0.089 -0.890) 4.748 4.771 ( 4.663 0.089 0.890) 4.748 4.819 ( -1.395 0.795 -2.060) 2.612 4.819 ( 1.395 0.795 2.060) 2.612 4.961 ( -2.174 0.862 -0.925) 2.515 4.961 ( 2.174 0.862 0.925) 2.515 5.027 ( -5.216 2.628 -4.180) 7.182 5.027 ( 5.216 2.628 4.180) 7.182 5.202 ( -2.426 -1.096 -3.337) 4.269 5.202 ( 2.426 -1.096 3.337) 4.269 5.338 ( -5.747 1.821 -1.889) 6.318 5.338 ( 5.747 1.821 1.889) 6.318 5.514 ( 0.378 0.211 -5.027) 5.046 5.514 ( -0.378 0.211 5.027) 5.046 5.705 ( -6.096 -0.211 -1.253) 6.227 5.705 ( 6.096 -0.211 1.253) 6.227 5.745 ( -8.328 -0.082 0.650) 8.354 5.745 ( 8.328 -0.082 -0.650) 8.354 5.988 ( 3.566 -0.039 -4.184) 5.498 5.988 ( -3.566 -0.039 4.184) 5.498 6.261 ( 0.217 -1.484 -4.752) 4.983 6.261 ( -0.217 -1.484 4.752) 4.983 6.318 ( 1.688 -0.198 -5.777) 6.022 6.318 ( -1.688 -0.198 5.777) 6.022 6.752 ( -1.217 -0.751 -4.634) 4.849 6.752 ( 1.217 -0.751 4.634) 4.849 6.914 ( 0.068 -0.275 -2.560) 2.575 6.914 ( -0.068 -0.275 2.560) 2.575 6.979 ( -3.320 -0.918 -2.757) 4.412 6.979 ( 3.320 -0.918 2.757) 4.412 7.171 ( -0.541 -6.653 -4.163) 7.867 7.171 ( 0.541 -6.653 4.163) 7.867 7.385 ( -2.054 3.690 -3.360) 5.397 7.385 ( 2.054 3.690 3.360) 5.397 7.468 ( -5.183 1.710 -5.504) 7.751 7.468 ( 5.183 1.710 5.504) 7.751 7.714 ( -3.669 0.318 -2.060) 4.219 7.714 ( 3.669 0.318 2.060) 4.219 7.935 ( 0.488 -2.350 -1.696) 2.938 7.935 ( -0.488 -2.350 1.696) 2.938 8.127 ( -0.932 -0.138 -1.392) 1.681 8.127 ( 0.932 -0.138 1.392) 1.681 8.230 ( -0.123 3.976 -0.827) 4.063 8.230 ( 0.123 3.976 0.827) 4.063 8.483 ( -1.787 -1.135 -0.490) 2.172 8.483 ( 1.787 -1.135 0.490) 2.172 8.671 ( -2.501 1.621 -1.120) 3.184 8.671 ( 2.501 1.621 1.120) 3.184 9.772 ( -0.976 1.224 -3.006) 3.389 9.772 ( 0.976 1.224 3.006) 3.389 9.996 ( -1.576 -3.400 -2.743) 4.644 9.996 ( 1.576 -3.400 2.743) 4.644 10.143 ( -0.337 -1.354 -1.731) 2.223 10.143 ( 0.337 -1.354 1.731) 2.223 10.377 ( -0.566 0.295 -0.123) 0.650 10.377 ( 0.566 0.295 0.123) 0.650 10.917 ( -1.879 0.721 -0.068) 2.013 10.917 ( 1.879 0.721 0.068) 2.013 11.012 ( -7.022 -0.348 -6.033) 9.265 11.012 ( 7.022 -0.348 6.033) 9.265 11.237 ( -3.347 4.541 -0.247) 5.646 11.237 ( 3.347 4.541 0.247) 5.646 11.417 ( -0.636 -1.080 -4.255) 4.436 11.417 ( 0.636 -1.080 4.255) 4.436 11.511 ( -2.478 1.958 -4.827) 5.768 11.511 ( 2.478 1.958 4.827) 5.768 11.753 ( -0.146 -3.838 -3.123) 4.950 11.753 ( 0.146 -3.838 3.123) 4.950 11.930 ( 3.281 -0.449 -5.145) 6.119 11.930 ( -3.281 -0.449 5.145) 6.119 12.088 ( -0.547 -1.381 -10.726) 10.829 12.088 ( 0.547 -1.381 10.726) 10.829 12.207 ( 2.741 3.471 -7.597) 8.791 12.207 ( -2.741 3.471 7.597) 8.791 12.504 ( -3.256 -3.959 -2.443) 5.678 12.504 ( 3.256 -3.959 2.443) 5.678 12.870 ( -3.027 -1.331 -3.932) 5.137 12.870 ( 3.027 -1.331 3.932) 5.137 13.053 ( -5.385 5.698 -2.883) 8.353 13.053 ( 5.385 5.698 2.883) 8.353 13.324 ( -0.451 1.980 -4.098) 4.574 13.324 ( 0.451 1.980 4.098) 4.574 13.657 ( -5.458 -5.350 -2.904) 8.176 13.657 ( 5.458 -5.350 2.904) 8.176 14.178 ( 1.775 0.374 -3.567) 4.001 14.178 ( -1.775 0.374 3.567) 4.001 14.903 ( 1.170 0.292 -2.846) 3.091 14.903 ( -1.170 0.292 2.846) 3.091 16.010 ( 0.328 1.020 -2.217) 2.462 16.010 ( -0.328 1.020 2.217) 2.462 16.281 ( 0.421 -0.586 -1.336) 1.518 16.281 ( -0.421 -0.586 1.336) 1.518 16.555 ( 1.077 1.070 -0.994) 1.814 16.555 ( -1.077 1.070 0.994) 1.814 16.679 ( 0.858 -1.042 -0.729) 1.534 16.679 ( -0.858 -1.042 0.729) 1.534 17.274 ( 0.078 -0.262 -0.588) 0.649 17.274 ( -0.078 -0.262 0.588) 0.649 17.380 ( -1.889 -0.786 -0.399) 2.085 17.380 ( 1.889 -0.786 0.399) 2.085 19.525 ( -3.078 0.640 0.559) 3.194 19.525 ( 3.078 0.640 -0.559) 3.194 19.991 ( 5.240 -0.623 -2.338) 5.772 19.991 ( -5.240 -0.623 2.338) 5.772 20.352 ( 1.844 3.277 -2.271) 4.393 20.352 ( -1.844 3.277 2.271) 4.393 20.661 ( 0.531 -3.399 -3.234) 4.721 20.661 ( -0.531 -3.399 3.234) 4.721 22.044 ( -1.961 0.874 -0.914) 2.334 22.044 ( 1.961 0.874 0.914) 2.334 22.404 ( -1.885 -0.498 -3.377) 3.899 22.404 ( 1.885 -0.498 3.377) 3.899 22.582 ( -0.288 1.802 -1.267) 2.222 22.582 ( 0.288 1.802 1.267) 2.222 22.666 ( -1.107 -1.461 -1.381) 2.295 22.666 ( 1.107 -1.461 1.381) 2.295 27.348 ( 0.495 0.323 -1.683) 1.784 27.348 ( -0.495 0.323 1.683) 1.784 27.402 ( -0.065 -0.478 -1.529) 1.603 27.402 ( 0.065 -0.478 1.529) 1.603 28.819 ( 0.643 0.419 -3.580) 3.661 28.819 ( -0.643 0.419 3.580) 3.661 29.032 ( 1.501 -0.235 -5.366) 5.576 29.032 ( -1.501 -0.235 5.366) 5.576 30.339 ( -0.366 0.085 -1.770) 1.809 30.339 ( 0.366 0.085 1.770) 1.809 30.817 ( 0.088 -1.585 -2.632) 3.074 30.817 ( -0.088 -1.585 2.632) 3.074 31.030 ( 0.393 0.982 -4.552) 4.674 31.030 ( -0.393 0.982 4.552) 4.674 31.558 ( 0.081 0.422 -1.197) 1.272 31.558 ( -0.081 0.422 1.197) 1.272 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 0.000 -0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 -0.000 0.000) 0.000 1.638 ( -0.000 -0.000 0.000) 0.000 2.130 ( 0.000 -0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.357 ( -0.000 0.000 0.000) 0.000 2.357 ( -0.000 0.000 0.000) 0.000 2.421 ( -0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 -0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.910 ( -0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.100 ( -0.000 0.000 0.000) 0.000 3.219 ( 0.000 -0.000 -0.000) 0.000 3.219 ( -0.000 0.000 0.000) 0.000 3.269 ( 0.000 -0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.307 ( -0.000 -0.000 0.000) 0.000 3.307 ( -0.000 0.000 0.000) 0.000 3.422 ( -0.000 0.000 0.000) 0.000 3.422 ( -0.000 0.000 0.000) 0.000 3.585 ( -0.000 -0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.692 ( -0.000 0.000 0.000) 0.000 4.065 ( 0.000 -0.000 -0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.180 ( -0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.425 ( -0.000 0.000 -0.000) 0.000 4.425 ( -0.000 0.000 0.000) 0.000 4.493 ( -0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.897 ( -0.000 0.000 0.000) 0.000 4.897 ( -0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.053 ( -0.000 0.000 0.000) 0.000 5.120 ( -0.000 -0.000 -0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.330 ( -0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.427 ( -0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.622 ( -0.000 -0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 -0.000 0.000) 0.000 5.671 ( -0.000 0.000 0.000) 0.000 5.821 ( -0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 -0.000 0.000) 0.000 5.828 ( 0.000 -0.000 -0.000) 0.000 6.146 ( -0.000 -0.000 0.000) 0.000 6.146 ( -0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.210 ( -0.000 0.000 0.000) 0.000 6.738 ( -0.000 0.000 0.000) 0.000 6.738 ( -0.000 0.000 0.000) 0.000 6.978 ( -0.000 -0.000 0.000) 0.000 6.978 ( -0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.254 ( -0.000 0.000 0.000) 0.000 7.254 ( -0.000 0.000 0.000) 0.000 7.656 ( -0.000 0.000 0.000) 0.000 7.656 ( -0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.773 ( -0.000 0.000 0.000) 0.000 7.972 ( -0.000 -0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.283 ( -0.000 0.000 0.000) 0.000 8.283 ( -0.000 0.000 0.000) 0.000 8.426 ( -0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.786 ( -0.000 0.000 0.000) 0.000 8.786 ( -0.000 0.000 0.000) 0.000 8.842 ( 0.000 -0.000 0.000) 0.000 8.842 ( -0.000 0.000 0.000) 0.000 9.737 ( -0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 10.016 ( -0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.163 ( -0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.482 ( 0.000 -0.000 -0.000) 0.000 10.482 ( -0.000 0.000 0.000) 0.000 10.501 ( -0.000 0.000 -0.000) 0.000 10.501 ( -0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 10.760 ( -0.000 0.000 0.000) 0.000 11.020 ( 0.000 0.000 0.000) 0.000 11.020 ( 0.000 0.000 0.000) 0.000 11.272 ( -0.000 0.000 0.000) 0.000 11.272 ( -0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 -0.000 0.000) 0.000 11.572 ( -0.000 0.000 -0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.995 ( -0.000 -0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.047 ( -0.000 -0.000 -0.000) 0.000 12.047 ( -0.000 0.000 0.000) 0.000 12.160 ( -0.000 0.000 0.000) 0.000 12.160 ( -0.000 0.000 0.000) 0.000 12.480 ( -0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.004 ( -0.000 0.000 0.000) 0.000 13.198 ( -0.000 0.000 0.000) 0.000 13.198 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.525 ( -0.000 0.000 0.000) 0.000 13.834 ( -0.000 0.000 0.000) 0.000 13.834 ( -0.000 0.000 0.000) 0.000 14.443 ( -0.000 0.000 0.000) 0.000 14.443 ( -0.000 0.000 0.000) 0.000 14.687 ( 0.000 0.000 0.000) 0.000 14.687 ( 0.000 0.000 0.000) 0.000 16.077 ( -0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.117 ( -0.000 0.000 0.000) 0.000 16.117 ( 0.000 0.000 0.000) 0.000 16.497 ( -0.000 0.000 0.000) 0.000 16.497 ( 0.000 0.000 0.000) 0.000 16.621 ( -0.000 0.000 0.000) 0.000 16.621 ( -0.000 0.000 0.000) 0.000 17.459 ( -0.000 0.000 0.000) 0.000 17.459 ( 0.000 0.000 0.000) 0.000 17.545 ( -0.000 0.000 0.000) 0.000 17.545 ( -0.000 0.000 0.000) 0.000 18.979 ( 0.000 0.000 0.000) 0.000 18.979 ( 0.000 0.000 0.000) 0.000 19.030 ( 0.000 0.000 0.000) 0.000 19.030 ( -0.000 0.000 0.000) 0.000 20.564 ( 0.000 0.000 0.000) 0.000 20.564 ( -0.000 0.000 0.000) 0.000 21.037 ( -0.000 0.000 0.000) 0.000 21.037 ( 0.000 0.000 0.000) 0.000 22.094 ( 0.000 0.000 0.000) 0.000 22.094 ( -0.000 0.000 0.000) 0.000 22.470 ( -0.000 0.000 0.000) 0.000 22.470 ( -0.000 0.000 0.000) 0.000 22.677 ( 0.000 0.000 -0.000) 0.000 22.677 ( 0.000 -0.000 0.000) 0.000 22.681 ( -0.000 -0.000 -0.000) 0.000 22.681 ( -0.000 0.000 0.000) 0.000 27.332 ( 0.000 0.000 0.000) 0.000 27.332 ( -0.000 0.000 0.000) 0.000 27.451 ( 0.000 0.000 0.000) 0.000 27.451 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 0.000) 0.000 29.183 ( -0.000 0.000 0.000) 0.000 29.183 ( 0.000 0.000 0.000) 0.000 30.324 ( -0.000 -0.000 0.000) 0.000 30.324 ( -0.000 0.000 0.000) 0.000 30.342 ( 0.000 -0.000 -0.000) 0.000 30.342 ( 0.000 0.000 -0.000) 0.000 30.887 ( 0.000 0.000 0.000) 0.000 30.887 ( -0.000 0.000 0.000) 0.000 31.980 ( 0.000 0.000 0.000) 0.000 31.980 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 149 (75/78) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 11.929 -10.646 4.020) 16.487 1.652 ( 11.929 10.646 4.020) 16.487 1.741 ( 11.846 -14.327 -2.901) 18.815 1.741 ( 11.846 14.327 -2.901) 18.815 2.141 ( 5.370 -10.289 -8.349) 14.297 2.141 ( 5.370 10.289 -8.349) 14.297 2.375 ( 1.581 -8.616 0.671) 8.786 2.375 ( 1.581 8.616 0.671) 8.786 2.454 ( 2.214 -3.499 2.561) 4.868 2.454 ( 2.214 3.499 2.561) 4.868 2.758 ( 3.754 -6.829 -1.849) 8.009 2.758 ( 3.754 6.829 -1.849) 8.009 2.911 ( -2.304 -3.077 1.867) 4.273 2.911 ( -2.304 3.077 1.867) 4.273 3.061 ( -4.924 -10.595 -1.022) 11.728 3.061 ( -4.924 10.595 -1.022) 11.728 3.159 ( -4.618 -5.571 -3.471) 8.025 3.159 ( -4.618 5.571 -3.471) 8.025 3.233 ( 5.979 -5.654 -2.378) 8.566 3.233 ( 5.979 5.654 -2.378) 8.566 3.315 ( 0.735 -2.868 1.621) 3.375 3.315 ( 0.735 2.868 1.621) 3.375 3.475 ( 4.091 -3.191 -4.656) 6.971 3.475 ( 4.091 3.191 -4.656) 6.971 3.553 ( 1.250 -6.722 -3.045) 7.485 3.553 ( 1.250 6.722 -3.045) 7.485 3.764 ( 3.832 -5.031 1.423) 6.483 3.764 ( 3.832 5.031 1.423) 6.483 3.992 ( -4.255 -0.313 -0.973) 4.376 3.992 ( -4.255 0.313 -0.973) 4.376 4.253 ( 3.595 -4.684 1.525) 6.098 4.253 ( 3.595 4.684 1.525) 6.098 4.388 ( 0.800 -5.009 -5.464) 7.455 4.388 ( 0.800 5.009 -5.464) 7.455 4.525 ( -1.545 -0.129 4.504) 4.764 4.525 ( -1.545 0.129 4.504) 4.764 4.751 ( -0.887 -2.019 2.145) 3.077 4.751 ( -0.887 2.019 2.145) 3.077 4.913 ( 0.863 -2.365 4.363) 5.037 4.913 ( 0.863 2.365 4.363) 5.037 5.010 ( -1.223 -7.617 -5.278) 9.347 5.010 ( -1.223 7.617 -5.278) 9.347 5.137 ( -2.025 -3.615 4.799) 6.340 5.137 ( -2.025 3.615 4.799) 6.340 5.320 ( -0.165 -2.305 -1.880) 2.979 5.320 ( -0.165 2.305 -1.880) 2.979 5.462 ( 1.372 -2.047 1.510) 2.890 5.462 ( 1.372 2.047 1.510) 2.890 5.550 ( -4.651 -2.270 -0.471) 5.197 5.550 ( -4.651 2.270 -0.471) 5.197 5.667 ( -2.717 -4.076 3.237) 5.871 5.667 ( -2.717 4.076 3.237) 5.871 5.787 ( 1.519 -4.536 2.937) 5.613 5.787 ( 1.519 4.536 2.937) 5.613 5.945 ( 4.815 -2.549 0.560) 5.477 5.945 ( 4.815 2.549 0.560) 5.477 6.121 ( -0.060 -2.404 -4.416) 5.029 6.121 ( -0.060 2.404 -4.416) 5.029 6.211 ( -1.397 -0.763 2.610) 3.057 6.211 ( -1.397 0.763 2.610) 3.057 6.768 ( 3.186 -1.599 -0.631) 3.620 6.768 ( 3.186 1.599 -0.631) 3.620 6.930 ( -2.117 -1.213 -4.091) 4.763 6.930 ( -2.117 1.213 -4.091) 4.763 7.042 ( -1.804 -1.834 2.220) 3.398 7.042 ( -1.804 1.834 2.220) 3.398 7.111 ( -2.502 -3.392 0.806) 4.292 7.111 ( -2.502 3.392 0.806) 4.292 7.339 ( 5.205 -2.634 2.176) 6.226 7.339 ( 5.205 2.634 2.176) 6.226 7.616 ( -3.293 -1.751 0.003) 3.730 7.616 ( -3.293 1.751 0.003) 3.730 7.720 ( -3.071 -3.509 -1.539) 4.911 7.720 ( -3.071 3.509 -1.539) 4.911 8.055 ( 2.227 -1.822 4.995) 5.764 8.055 ( 2.227 1.822 4.995) 5.764 8.224 ( -3.523 -0.648 -2.983) 4.662 8.224 ( -3.523 0.648 -2.983) 4.662 8.402 ( -2.744 -3.028 -1.119) 4.237 8.402 ( -2.744 3.028 -1.119) 4.237 8.741 ( -4.135 -1.139 -1.243) 4.465 8.741 ( -4.135 1.139 -1.243) 4.465 8.800 ( -3.297 -0.972 -0.755) 3.519 8.800 ( -3.297 0.972 -0.755) 3.519 9.752 ( 0.464 -2.066 1.055) 2.366 9.752 ( 0.464 2.066 1.055) 2.366 9.949 ( -1.660 -3.476 -3.505) 5.208 9.949 ( -1.660 3.476 -3.505) 5.208 10.212 ( -0.628 -2.976 7.636) 8.220 10.212 ( -0.628 2.976 7.636) 8.220 10.410 ( -4.718 -1.658 -1.992) 5.383 10.410 ( -4.718 1.658 -1.992) 5.383 10.571 ( 2.967 -1.964 6.660) 7.551 10.571 ( 2.967 1.964 6.660) 7.551 10.898 ( 10.652 -6.891 -0.309) 12.691 10.898 ( 10.652 6.891 -0.309) 12.691 11.077 ( 7.187 -4.807 0.204) 8.649 11.077 ( 7.187 4.807 0.204) 8.649 11.280 ( 0.564 -2.757 -0.209) 2.822 11.280 ( 0.564 2.757 -0.209) 2.822 11.468 ( -0.919 -1.169 -2.725) 3.104 11.468 ( -0.919 1.169 -2.725) 3.104 11.661 ( 3.235 -2.455 0.848) 4.149 11.661 ( 3.235 2.455 0.848) 4.149 11.950 ( -0.066 -4.338 -4.385) 6.169 11.950 ( -0.066 4.338 -4.385) 6.169 12.084 ( -0.174 -9.468 -1.668) 9.615 12.084 ( -0.174 9.468 -1.668) 9.615 12.151 ( 1.228 -2.967 1.049) 3.378 12.151 ( 1.228 2.967 1.049) 3.378 12.479 ( -0.978 -5.686 1.759) 6.032 12.479 ( -0.978 5.686 1.759) 6.032 12.983 ( -0.715 -1.393 -3.247) 3.605 12.983 ( -0.715 1.393 -3.247) 3.605 13.156 ( -3.851 -1.066 0.607) 4.042 13.156 ( -3.851 1.066 0.607) 4.042 13.497 ( 0.962 -0.960 -8.964) 9.066 13.497 ( 0.962 0.960 -8.964) 9.066 13.857 ( -2.164 -3.720 8.625) 9.639 13.857 ( -2.164 3.720 8.625) 9.639 14.413 ( -4.880 -4.983 -1.430) 7.120 14.413 ( -4.880 4.983 -1.430) 7.120 14.669 ( 0.481 -2.358 0.376) 2.435 14.669 ( 0.481 2.358 0.376) 2.435 16.050 ( -1.120 -1.428 -0.792) 1.980 16.050 ( -1.120 1.428 -0.792) 1.980 16.167 ( 3.470 -0.451 0.545) 3.542 16.167 ( 3.470 0.451 0.545) 3.542 16.511 ( 0.817 -0.354 1.148) 1.453 16.511 ( 0.817 0.354 1.148) 1.453 16.633 ( 0.767 -0.166 0.987) 1.261 16.633 ( 0.767 0.166 0.987) 1.261 17.393 ( -4.175 -2.146 -2.429) 5.286 17.393 ( -4.175 2.146 -2.429) 5.286 17.540 ( -2.405 -2.366 0.761) 3.459 17.540 ( -2.405 2.366 0.761) 3.459 19.012 ( 7.009 -0.816 0.394) 7.068 19.012 ( 7.009 0.816 0.394) 7.068 19.192 ( 14.244 -1.792 -0.049) 14.357 19.192 ( 14.244 1.792 -0.049) 14.357 20.546 ( -2.179 -0.781 0.288) 2.333 20.546 ( -2.179 0.781 0.288) 2.333 20.985 ( -5.191 -2.202 -0.734) 5.687 20.985 ( -5.191 2.202 -0.734) 5.687 22.082 ( -1.128 -2.322 0.091) 2.583 22.082 ( -1.128 2.322 0.091) 2.583 22.467 ( -0.124 -2.714 -0.900) 2.862 22.467 ( -0.124 2.714 -0.900) 2.862 22.642 ( -1.711 -3.447 -0.315) 3.861 22.642 ( -1.711 3.447 -0.315) 3.861 22.711 ( -0.269 -0.736 2.616) 2.731 22.711 ( -0.269 0.736 2.616) 2.731 27.332 ( -0.011 -0.263 -0.010) 0.264 27.332 ( -0.011 0.263 -0.010) 0.264 27.447 ( -0.607 -0.804 0.272) 1.044 27.447 ( -0.607 0.804 0.272) 1.044 28.845 ( -0.926 -1.266 0.162) 1.577 28.845 ( -0.926 1.266 0.162) 1.577 29.170 ( -3.288 -3.355 3.079) 5.617 29.170 ( -3.288 3.355 3.079) 5.617 30.278 ( -0.921 -1.548 0.846) 1.990 30.278 ( -0.921 1.548 0.846) 1.990 30.479 ( 11.500 -5.310 -2.749) 12.962 30.479 ( 11.500 5.310 -2.749) 12.962 30.893 ( 0.816 -1.702 -0.130) 1.892 30.893 ( 0.816 1.702 -0.130) 1.892 31.914 ( -6.225 -2.583 -1.488) 6.902 31.914 ( -6.225 2.583 -1.488) 6.902 ======================= Grid point 151 (76/78) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.809 -14.352 -10.382) 20.751 1.823 ( 10.809 14.352 -10.382) 20.751 2.040 ( 12.266 -6.774 10.893) 17.748 2.040 ( 12.266 6.774 10.893) 17.748 2.164 ( 9.624 -8.188 -14.214) 19.018 2.164 ( 9.624 8.188 -14.214) 19.018 2.392 ( -1.230 -5.438 2.174) 5.984 2.392 ( -1.230 5.438 2.174) 5.984 2.544 ( 5.008 -4.456 0.432) 6.717 2.544 ( 5.008 4.456 0.432) 6.717 2.776 ( 0.267 -2.655 -2.291) 3.516 2.776 ( 0.267 2.655 -2.291) 3.516 2.873 ( -2.635 -0.759 -0.208) 2.750 2.873 ( -2.635 0.759 -0.208) 2.750 2.977 ( 0.150 -5.063 -2.736) 5.757 2.977 ( 0.150 5.063 -2.736) 5.757 3.097 ( -0.630 -3.448 0.737) 3.581 3.097 ( -0.630 3.448 0.737) 3.581 3.337 ( 2.164 -4.229 6.676) 8.194 3.337 ( 2.164 4.229 6.676) 8.194 3.375 ( 1.309 -4.801 0.674) 5.022 3.375 ( 1.309 4.801 0.674) 5.022 3.491 ( 6.643 -6.739 -5.039) 10.721 3.491 ( 6.643 6.739 -5.039) 10.721 3.626 ( 5.609 -3.414 -0.611) 6.595 3.626 ( 5.609 3.415 -0.611) 6.595 3.809 ( 4.961 -10.666 -4.162) 12.478 3.809 ( 4.961 10.666 -4.162) 12.478 3.962 ( 2.492 -2.388 -1.421) 3.732 3.962 ( 2.492 2.388 -1.421) 3.732 4.238 ( -3.293 -2.115 -3.246) 5.084 4.238 ( -3.293 2.115 -3.246) 5.084 4.415 ( 0.866 -1.719 2.179) 2.908 4.415 ( 0.866 1.719 2.179) 2.908 4.504 ( 0.720 -3.028 -1.989) 3.694 4.504 ( 0.720 3.028 -1.989) 3.694 4.749 ( -1.495 -2.637 2.433) 3.887 4.749 ( -1.495 2.637 2.433) 3.887 4.917 ( -3.031 -5.884 0.501) 6.638 4.917 ( -3.031 5.884 0.501) 6.638 4.989 ( -1.753 -1.204 2.961) 3.646 4.989 ( -1.753 1.204 2.961) 3.646 5.137 ( -1.403 -1.563 1.576) 2.626 5.137 ( -1.403 1.563 1.576) 2.626 5.297 ( -0.440 -0.992 0.211) 1.106 5.297 ( -0.440 0.992 0.211) 1.106 5.430 ( -4.287 -1.683 -0.601) 4.645 5.430 ( -4.287 1.683 -0.601) 4.645 5.506 ( -2.065 -3.234 2.743) 4.717 5.506 ( -2.065 3.234 2.743) 4.717 5.675 ( 0.321 -3.599 1.546) 3.930 5.675 ( 0.321 3.599 1.546) 3.930 5.859 ( 1.244 -3.236 2.744) 4.421 5.859 ( 1.244 3.236 2.744) 4.421 5.979 ( -1.051 -3.152 -0.900) 3.442 5.979 ( -1.051 3.152 -0.900) 3.442 6.102 ( 3.719 -0.783 -1.836) 4.220 6.102 ( 3.719 0.783 -1.836) 4.220 6.225 ( -0.275 -1.508 4.557) 4.808 6.225 ( -0.275 1.508 4.557) 4.808 6.778 ( -1.495 -1.668 -2.812) 3.596 6.778 ( -1.495 1.668 -2.812) 3.596 6.899 ( 2.759 -2.201 -2.064) 4.088 6.899 ( 2.759 2.201 -2.064) 4.088 7.024 ( -1.810 -1.444 -0.319) 2.338 7.024 ( -1.810 1.444 -0.319) 2.338 7.106 ( -0.079 -3.035 4.111) 5.110 7.106 ( -0.079 3.035 4.111) 5.110 7.395 ( -1.545 -3.014 -0.822) 3.485 7.395 ( -1.545 3.014 -0.822) 3.485 7.585 ( 0.853 -2.567 0.958) 2.869 7.585 ( 0.853 2.567 0.958) 2.869 7.676 ( -0.565 -1.712 -1.378) 2.269 7.676 ( -0.565 1.712 -1.378) 2.269 8.021 ( -6.335 -1.986 -0.359) 6.649 8.021 ( -6.335 1.986 -0.359) 6.649 8.177 ( -1.531 -0.868 -0.221) 1.773 8.177 ( -1.531 0.868 -0.221) 1.773 8.332 ( -2.723 -2.018 -0.996) 3.533 8.332 ( -2.723 2.018 -0.996) 3.533 8.628 ( -6.380 -1.759 -1.804) 6.859 8.628 ( -6.380 1.759 -1.804) 6.859 8.751 ( -2.420 -2.778 0.898) 3.792 8.751 ( -2.420 2.778 0.898) 3.792 9.757 ( -0.028 -2.218 0.276) 2.236 9.757 ( -0.028 2.218 0.276) 2.236 9.942 ( 2.405 -3.133 -1.915) 4.389 9.942 ( 2.405 3.133 -1.915) 4.389 10.217 ( -4.883 -3.203 3.489) 6.803 10.217 ( -4.883 3.203 3.489) 6.803 10.357 ( -0.531 -2.340 1.605) 2.887 10.357 ( -0.531 2.340 1.605) 2.887 10.688 ( 3.939 -3.939 5.993) 8.182 10.688 ( 3.939 3.939 5.993) 8.182 11.020 ( 2.056 -9.999 3.443) 10.773 11.020 ( 2.056 9.999 3.443) 10.773 11.249 ( 9.327 -6.070 -0.945) 11.168 11.249 ( 9.327 6.070 -0.945) 11.168 11.270 ( 0.016 -0.833 -1.478) 1.696 11.270 ( 0.016 0.833 -1.478) 1.696 11.529 ( 5.258 -0.477 4.059) 6.660 11.529 ( 5.258 0.477 4.059) 6.660 11.685 ( 0.811 -2.783 -1.168) 3.125 11.685 ( 0.811 2.783 -1.168) 3.125 11.914 ( -1.800 -2.004 -2.545) 3.706 11.914 ( -1.800 2.004 -2.545) 3.706 12.038 ( 2.618 -1.876 -7.479) 8.144 12.038 ( 2.618 1.876 -7.479) 8.144 12.206 ( 2.354 -6.289 1.011) 6.791 12.206 ( 2.354 6.289 1.011) 6.791 12.478 ( -1.355 -7.683 2.596) 8.222 12.478 ( -1.355 7.683 2.596) 8.222 12.928 ( -0.993 -1.913 -4.838) 5.296 12.928 ( -0.993 1.913 -4.838) 5.296 13.112 ( -1.400 -1.252 0.993) 2.124 13.112 ( -1.400 1.252 0.993) 2.124 13.405 ( -1.517 -2.641 -8.959) 9.463 13.405 ( -1.517 2.641 -8.959) 9.463 13.867 ( -6.690 -1.712 7.236) 10.002 13.867 ( -6.690 1.712 7.236) 10.002 14.254 ( -6.336 -4.704 -4.848) 9.261 14.254 ( -6.336 4.704 -4.848) 9.261 14.747 ( 4.897 -1.538 3.459) 6.189 14.747 ( 4.897 1.538 3.459) 6.189 16.031 ( -0.180 -1.223 -0.891) 1.524 16.031 ( -0.180 1.223 -0.891) 1.524 16.227 ( 2.601 -0.355 0.374) 2.651 16.227 ( 2.601 0.355 0.374) 2.651 16.538 ( 0.912 -0.326 1.104) 1.469 16.538 ( 0.912 0.326 1.104) 1.469 16.657 ( 0.515 -0.212 1.222) 1.343 16.657 ( 0.515 0.212 1.222) 1.343 17.308 ( -2.356 -1.991 -2.611) 4.041 17.308 ( -2.356 1.991 -2.611) 4.041 17.475 ( -4.545 -2.523 0.059) 5.199 17.475 ( -4.545 2.523 0.059) 5.199 19.212 ( 13.437 -2.566 0.228) 13.682 19.212 ( 13.437 2.566 0.228) 13.682 19.496 ( 17.800 -1.979 2.784) 18.124 19.496 ( 17.800 1.979 2.784) 18.124 20.494 ( -3.815 -1.591 0.428) 4.155 20.494 ( -3.815 1.591 0.428) 4.155 20.856 ( -7.826 -2.476 -1.223) 8.299 20.856 ( -7.826 2.476 -1.223) 8.299 22.065 ( -0.936 -3.272 0.479) 3.437 22.065 ( -0.936 3.272 0.479) 3.437 22.446 ( -0.892 -3.956 -1.604) 4.361 22.446 ( -0.892 3.956 -1.604) 4.361 22.616 ( -1.307 -2.749 0.580) 3.099 22.616 ( -1.307 2.749 0.580) 3.099 22.707 ( -2.371 -1.708 1.701) 3.381 22.707 ( -2.371 1.708 1.701) 3.381 27.334 ( 0.267 -0.381 0.085) 0.473 27.334 ( 0.267 0.381 0.085) 0.473 27.433 ( -1.193 -1.069 0.175) 1.612 27.433 ( -1.193 1.069 0.175) 1.612 28.831 ( -0.855 -1.565 0.431) 1.834 28.831 ( -0.855 1.565 0.431) 1.834 29.120 ( -4.826 -3.126 2.393) 6.228 29.120 ( -4.826 3.126 2.393) 6.228 30.296 ( 1.316 -1.536 1.168) 2.336 30.296 ( 1.316 1.536 1.168) 2.336 30.662 ( 10.451 -4.282 -2.323) 11.531 30.662 ( 10.451 4.282 -2.323) 11.531 30.921 ( 2.720 -2.234 0.099) 3.521 30.921 ( 2.720 2.234 0.099) 3.521 31.761 ( -7.946 -2.682 -2.578) 8.774 31.761 ( -7.946 2.682 -2.578) 8.774 ======================= Grid point 153 (77/78) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 10.178 -6.259 -7.936) 14.344 1.919 ( 10.178 6.259 -7.936) 14.344 2.115 ( 1.811 -2.175 -6.887) 7.446 2.115 ( 1.811 2.175 -6.887) 7.446 2.292 ( -0.638 -5.941 5.119) 7.868 2.292 ( -0.638 5.941 5.119) 7.868 2.393 ( 0.091 -2.363 0.295) 2.384 2.393 ( 0.091 2.363 0.295) 2.384 2.572 ( 0.900 -5.228 -3.964) 6.622 2.572 ( 0.900 5.228 -3.964) 6.622 2.746 ( -2.395 -3.321 -4.527) 6.104 2.746 ( -2.395 3.321 -4.527) 6.104 2.869 ( 5.797 -1.478 4.813) 7.678 2.869 ( 5.797 1.478 4.813) 7.678 3.055 ( 1.672 -2.503 3.692) 4.763 3.055 ( 1.672 2.503 3.692) 4.763 3.147 ( 8.326 -1.051 -1.863) 8.596 3.147 ( 8.326 1.051 -1.863) 8.596 3.345 ( -0.638 -4.459 -0.263) 4.512 3.345 ( -0.638 4.459 -0.263) 4.512 3.474 ( 3.920 -6.345 6.364) 9.805 3.474 ( 3.920 6.345 6.364) 9.805 3.539 ( 1.776 -6.494 -3.156) 7.435 3.539 ( 1.776 6.494 -3.156) 7.435 3.655 ( -3.491 -5.534 2.652) 7.060 3.655 ( -3.491 5.534 2.652) 7.060 3.875 ( 3.060 -6.981 -6.066) 9.741 3.875 ( 3.060 6.981 -6.066) 9.741 4.048 ( 7.713 -7.687 -0.294) 10.894 4.048 ( 7.713 7.687 -0.294) 10.894 4.203 ( 2.620 -1.487 -0.498) 3.053 4.203 ( 2.620 1.487 -0.498) 3.053 4.348 ( -5.029 -4.254 0.906) 6.649 4.348 ( -5.029 4.254 0.906) 6.649 4.588 ( 6.957 -2.240 -4.806) 8.747 4.588 ( 6.957 2.240 -4.806) 8.747 4.757 ( 0.810 -3.274 2.647) 4.287 4.757 ( 0.810 3.274 2.647) 4.287 4.894 ( 0.168 -5.295 0.595) 5.331 4.894 ( 0.168 5.295 0.595) 5.331 4.935 ( -5.228 -1.562 1.864) 5.766 4.935 ( -5.228 1.562 1.864) 5.766 5.084 ( -4.908 -3.082 1.445) 5.973 5.084 ( -4.908 3.082 1.445) 5.973 5.271 ( -4.214 -1.687 -1.114) 4.674 5.271 ( -4.214 1.687 -1.114) 4.674 5.366 ( -2.612 -4.610 1.295) 5.455 5.366 ( -2.612 4.610 1.295) 5.455 5.525 ( 0.722 -3.476 1.995) 4.073 5.525 ( 0.722 3.476 1.995) 4.073 5.664 ( -0.177 -2.640 -0.564) 2.706 5.664 ( -0.177 2.640 -0.564) 2.706 5.842 ( -4.221 -1.170 -0.326) 4.393 5.842 ( -4.221 1.170 -0.326) 4.393 5.951 ( 1.031 -1.262 -1.183) 2.014 5.951 ( 1.031 1.262 -1.183) 2.014 6.218 ( 4.982 -3.932 3.108) 7.067 6.218 ( 4.982 3.932 3.108) 7.067 6.264 ( 0.663 -2.024 3.286) 3.916 6.264 ( 0.663 2.024 3.286) 3.916 6.735 ( -0.919 -2.144 0.217) 2.343 6.735 ( -0.919 2.144 0.217) 2.343 6.920 ( 1.632 -2.707 -3.297) 4.567 6.920 ( 1.632 2.707 -3.297) 4.567 6.989 ( -1.266 -2.662 -0.514) 2.992 6.989 ( -1.266 2.662 -0.514) 2.992 7.124 ( -1.932 -4.006 0.046) 4.448 7.124 ( -1.932 4.006 0.046) 4.448 7.361 ( 1.101 -2.092 1.597) 2.853 7.361 ( 1.101 2.092 1.597) 2.853 7.580 ( -3.400 -6.239 -3.353) 7.857 7.580 ( -3.400 6.239 -3.353) 7.857 7.682 ( 2.171 -5.221 1.599) 5.876 7.682 ( 2.171 5.221 1.599) 5.876 7.932 ( -2.754 -1.742 -0.193) 3.264 7.932 ( -2.754 1.742 -0.193) 3.264 8.140 ( -1.252 -1.217 -0.988) 2.006 8.140 ( -1.252 1.217 -0.988) 2.006 8.294 ( -1.663 -1.127 0.593) 2.094 8.294 ( -1.663 1.127 0.593) 2.094 8.511 ( -4.536 -2.392 -1.076) 5.240 8.511 ( -4.536 2.392 -1.076) 5.240 8.715 ( -2.407 -2.444 0.575) 3.478 8.715 ( -2.407 2.444 0.575) 3.478 9.772 ( 1.464 -2.393 0.247) 2.816 9.772 ( 1.464 2.393 0.247) 2.816 9.957 ( 0.555 -2.704 -1.613) 3.198 9.957 ( 0.555 2.704 -1.613) 3.198 10.154 ( -3.518 -1.671 1.230) 4.084 10.154 ( -3.518 1.671 1.230) 4.084 10.373 ( -0.141 -0.999 1.974) 2.217 10.373 ( -0.141 0.999 1.974) 2.217 10.824 ( 6.068 -1.895 4.422) 7.744 10.824 ( 6.068 1.895 4.422) 7.744 11.048 ( -1.375 -7.807 0.612) 7.951 11.048 ( -1.375 7.807 0.612) 7.951 11.253 ( 1.050 -1.329 -1.023) 1.979 11.253 ( 1.050 1.329 -1.023) 1.979 11.381 ( 2.914 -2.756 2.790) 4.886 11.381 ( 2.914 2.756 2.790) 4.886 11.583 ( 1.102 -3.636 -2.351) 4.468 11.583 ( 1.102 3.636 -2.351) 4.468 11.708 ( -1.700 -4.729 1.430) 5.225 11.708 ( -1.700 4.729 1.430) 5.225 11.882 ( -0.733 -3.296 5.124) 6.136 11.882 ( -0.733 3.296 5.124) 6.136 12.048 ( 6.409 -4.678 -9.903) 12.690 12.048 ( 6.409 4.678 -9.903) 12.690 12.246 ( 1.183 -4.386 1.005) 4.652 12.246 ( 1.183 4.386 1.005) 4.652 12.469 ( -1.832 -6.302 1.210) 6.674 12.469 ( -1.832 6.302 1.210) 6.674 12.877 ( -0.436 -2.642 -3.206) 4.177 12.877 ( -0.436 2.642 -3.206) 4.177 13.115 ( 1.065 -3.868 -1.385) 4.244 13.115 ( 1.065 3.868 -1.385) 4.244 13.333 ( 0.263 -5.146 -1.369) 5.331 13.333 ( 0.263 5.146 -1.369) 5.331 13.719 ( -10.608 -5.623 -1.851) 12.148 13.719 ( -10.608 5.623 -1.851) 12.148 14.181 ( -0.387 -0.818 -0.258) 0.941 14.181 ( -0.387 0.818 -0.258) 0.941 14.859 ( 3.736 -0.723 2.739) 4.689 14.859 ( 3.736 0.723 2.739) 4.689 16.025 ( 0.134 -0.711 -0.628) 0.958 16.025 ( 0.134 0.711 -0.628) 0.958 16.262 ( 1.154 -0.256 0.155) 1.193 16.262 ( 1.154 0.256 0.155) 1.193 16.560 ( 0.726 -0.467 0.556) 1.027 16.560 ( 0.726 0.467 0.556) 1.027 16.667 ( -0.281 -0.410 0.492) 0.699 16.667 ( -0.281 0.410 0.492) 0.699 17.271 ( 0.122 -1.477 -1.475) 2.091 17.271 ( 0.122 1.477 -1.475) 2.091 17.403 ( -3.314 -1.724 0.056) 3.736 17.403 ( -3.314 1.724 0.056) 3.736 19.435 ( 10.471 -2.392 -0.487) 10.752 19.435 ( 10.471 2.392 -0.487) 10.752 19.824 ( 13.804 -2.545 4.199) 14.651 19.824 ( 13.804 2.545 4.199) 14.651 20.429 ( -3.283 -2.129 0.203) 3.918 20.429 ( -3.283 2.129 0.203) 3.918 20.702 ( -7.642 -1.378 -1.332) 7.879 20.702 ( -7.642 1.378 -1.332) 7.879 22.058 ( -0.472 -2.432 0.476) 2.523 22.058 ( -0.472 2.432 0.476) 2.523 22.414 ( -1.015 -2.985 -1.269) 3.398 22.414 ( -1.015 2.985 -1.269) 3.398 22.608 ( -0.370 -2.213 1.043) 2.474 22.608 ( -0.370 2.213 1.043) 2.474 22.667 ( -2.514 -2.567 -0.045) 3.593 22.667 ( -2.514 2.567 -0.045) 3.593 27.343 ( 0.594 -0.356 0.216) 0.725 27.343 ( 0.594 0.356 0.216) 0.725 27.410 ( -1.259 -0.791 -0.100) 1.490 27.410 ( -1.259 0.791 -0.100) 1.490 28.825 ( -0.346 -1.040 0.439) 1.181 28.825 ( -0.346 1.040 0.439) 1.181 29.057 ( -3.303 -1.385 0.697) 3.649 29.057 ( -3.303 1.385 0.697) 3.649 30.328 ( 0.936 -1.116 0.846) 1.684 30.328 ( 0.936 1.116 0.846) 1.684 30.773 ( 3.739 -1.386 -1.055) 4.125 30.773 ( 3.739 1.386 -1.055) 4.125 30.993 ( 4.480 -1.647 0.233) 4.779 30.993 ( 4.480 1.647 0.233) 4.779 31.619 ( -5.054 -1.417 -1.944) 5.597 31.619 ( -5.054 1.417 -1.944) 5.597 ======================= Grid point 155 (78/78) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 0.000 -0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 -0.000 -0.000) 0.000 2.086 ( -0.000 0.000 0.000) 0.000 2.271 ( 0.000 -0.000 -0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 -0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 -0.000) 0.000 2.566 ( 0.000 -0.000 0.000) 0.000 2.709 ( 0.000 0.000 -0.000) 0.000 2.709 ( 0.000 0.000 -0.000) 0.000 2.979 ( 0.000 0.000 -0.000) 0.000 2.979 ( 0.000 0.000 -0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 -0.000 -0.000) 0.000 3.275 ( 0.000 -0.000 -0.000) 0.000 3.344 ( 0.000 -0.000 -0.000) 0.000 3.344 ( -0.000 0.000 0.000) 0.000 3.507 ( 0.000 -0.000 -0.000) 0.000 3.507 ( 0.000 0.000 -0.000) 0.000 3.559 ( 0.000 -0.000 -0.000) 0.000 3.559 ( 0.000 0.000 -0.000) 0.000 3.629 ( -0.000 -0.000 -0.000) 0.000 3.629 ( -0.000 0.000 -0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 -0.000 -0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 -0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 -0.000) 0.000 4.323 ( 0.000 -0.000 0.000) 0.000 4.623 ( 0.000 0.000 -0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 -0.000) 0.000 4.776 ( 0.000 0.000 -0.000) 0.000 4.888 ( -0.000 -0.000 -0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 -0.000 -0.000) 0.000 4.911 ( 0.000 0.000 -0.000) 0.000 5.107 ( 0.000 0.000 -0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.147 ( -0.000 -0.000 -0.000) 0.000 5.147 ( 0.000 0.000 -0.000) 0.000 5.339 ( 0.000 0.000 -0.000) 0.000 5.339 ( 0.000 -0.000 0.000) 0.000 5.538 ( 0.000 0.000 -0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 -0.000 -0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.739 ( -0.000 0.000 -0.000) 0.000 5.739 ( 0.000 -0.000 -0.000) 0.000 5.965 ( 0.000 0.000 -0.000) 0.000 5.965 ( 0.000 0.000 -0.000) 0.000 6.259 ( 0.000 0.000 -0.000) 0.000 6.259 ( 0.000 0.000 -0.000) 0.000 6.306 ( -0.000 -0.000 0.000) 0.000 6.306 ( -0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 -0.000) 0.000 6.740 ( 0.000 0.000 -0.000) 0.000 6.914 ( 0.000 0.000 -0.000) 0.000 6.914 ( 0.000 0.000 -0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 -0.000) 0.000 7.088 ( 0.000 0.000 -0.000) 0.000 7.442 ( -0.000 0.000 -0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.470 ( -0.000 -0.000 -0.000) 0.000 7.470 ( 0.000 -0.000 0.000) 0.000 7.723 ( 0.000 0.000 -0.000) 0.000 7.723 ( 0.000 0.000 -0.000) 0.000 7.905 ( 0.000 0.000 -0.000) 0.000 7.905 ( 0.000 0.000 -0.000) 0.000 8.126 ( 0.000 0.000 -0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 -0.000) 0.000 8.280 ( 0.000 0.000 -0.000) 0.000 8.467 ( 0.000 0.000 -0.000) 0.000 8.467 ( 0.000 0.000 -0.000) 0.000 8.691 ( 0.000 0.000 -0.000) 0.000 8.691 ( 0.000 0.000 -0.000) 0.000 9.794 ( 0.000 -0.000 -0.000) 0.000 9.794 ( 0.000 0.000 -0.000) 0.000 9.947 ( 0.000 0.000 -0.000) 0.000 9.947 ( 0.000 0.000 -0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 -0.000) 0.000 10.381 ( 0.000 0.000 -0.000) 0.000 10.947 ( 0.000 0.000 -0.000) 0.000 10.947 ( 0.000 -0.000 0.000) 0.000 10.991 ( -0.000 0.000 -0.000) 0.000 10.991 ( 0.000 0.000 -0.000) 0.000 11.273 ( -0.000 0.000 -0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 -0.000) 0.000 11.403 ( 0.000 0.000 -0.000) 0.000 11.597 ( 0.000 -0.000 -0.000) 0.000 11.597 ( 0.000 0.000 -0.000) 0.000 11.667 ( 0.000 -0.000 -0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 -0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 12.070 ( 0.000 0.000 -0.000) 0.000 12.070 ( 0.000 -0.000 -0.000) 0.000 12.263 ( 0.000 -0.000 -0.000) 0.000 12.263 ( 0.000 -0.000 0.000) 0.000 12.449 ( 0.000 0.000 -0.000) 0.000 12.449 ( 0.000 0.000 -0.000) 0.000 12.859 ( 0.000 0.000 -0.000) 0.000 12.859 ( 0.000 0.000 -0.000) 0.000 13.113 ( 0.000 0.000 -0.000) 0.000 13.113 ( 0.000 0.000 -0.000) 0.000 13.369 ( -0.000 0.000 -0.000) 0.000 13.369 ( 0.000 0.000 -0.000) 0.000 13.574 ( 0.000 0.000 -0.000) 0.000 13.574 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 -0.000) 0.000 14.182 ( 0.000 0.000 -0.000) 0.000 14.907 ( 0.000 0.000 -0.000) 0.000 14.907 ( 0.000 0.000 -0.000) 0.000 16.023 ( 0.000 0.000 -0.000) 0.000 16.023 ( 0.000 0.000 -0.000) 0.000 16.273 ( 0.000 0.000 -0.000) 0.000 16.273 ( 0.000 0.000 -0.000) 0.000 16.570 ( 0.000 -0.000 -0.000) 0.000 16.570 ( 0.000 0.000 -0.000) 0.000 16.664 ( 0.000 0.000 -0.000) 0.000 16.664 ( 0.000 0.000 -0.000) 0.000 17.270 ( 0.000 0.000 -0.000) 0.000 17.270 ( 0.000 0.000 -0.000) 0.000 17.370 ( 0.000 0.000 -0.000) 0.000 17.370 ( 0.000 0.000 -0.000) 0.000 19.533 ( 0.000 0.000 0.000) 0.000 19.533 ( 0.000 0.000 0.000) 0.000 19.983 ( 0.000 0.000 -0.000) 0.000 19.983 ( 0.000 0.000 -0.000) 0.000 20.401 ( 0.000 0.000 0.000) 0.000 20.401 ( 0.000 0.000 0.000) 0.000 20.610 ( 0.000 0.000 -0.000) 0.000 20.610 ( 0.000 0.000 -0.000) 0.000 22.056 ( 0.000 0.000 -0.000) 0.000 22.056 ( 0.000 0.000 -0.000) 0.000 22.397 ( 0.000 0.000 -0.000) 0.000 22.397 ( 0.000 0.000 -0.000) 0.000 22.617 ( 0.000 0.000 -0.000) 0.000 22.617 ( 0.000 -0.000 -0.000) 0.000 22.635 ( 0.000 0.000 -0.000) 0.000 22.635 ( -0.000 0.000 0.000) 0.000 27.353 ( 0.000 0.000 -0.000) 0.000 27.353 ( 0.000 0.000 0.000) 0.000 27.396 ( 0.000 0.000 -0.000) 0.000 27.396 ( 0.000 -0.000 0.000) 0.000 28.824 ( 0.000 0.000 -0.000) 0.000 28.824 ( 0.000 0.000 0.000) 0.000 29.029 ( 0.000 0.000 -0.000) 0.000 29.029 ( 0.000 0.000 -0.000) 0.000 30.340 ( 0.000 0.000 -0.000) 0.000 30.340 ( 0.000 0.000 0.000) 0.000 30.798 ( 0.000 0.000 -0.000) 0.000 30.798 ( 0.000 0.000 0.000) 0.000 31.041 ( 0.000 0.000 -0.000) 0.000 31.041 ( 0.000 0.000 -0.000) 0.000 31.564 ( 0.000 0.000 -0.000) 0.000 31.564 ( 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 3/32256 10.0 982.457 1059.238 1627.617 0.000 -99.268 0.000 3/32256 20.0 176.356 173.209 199.333 0.000 -48.573 0.000 3/32256 30.0 64.701 62.030 71.385 0.000 -17.454 0.000 3/32256 40.0 34.035 32.235 37.300 0.000 -8.739 0.000 3/32256 50.0 21.721 20.403 23.640 0.000 -5.345 0.000 3/32256 60.0 15.537 14.501 16.788 0.000 -3.696 0.000 3/32256 70.0 11.950 11.097 12.828 0.000 -2.767 0.000 3/32256 80.0 9.655 8.930 10.307 0.000 -2.189 0.000 3/32256 90.0 8.079 7.449 8.586 0.000 -1.800 0.000 3/32256 100.0 6.939 6.380 7.348 0.000 -1.525 0.000 3/32256 110.0 6.079 5.577 6.420 0.000 -1.320 0.000 3/32256 120.0 5.410 4.954 5.701 0.000 -1.164 0.000 3/32256 130.0 4.877 4.457 5.129 0.000 -1.040 0.000 3/32256 140.0 4.441 4.052 4.665 0.000 -0.941 0.000 3/32256 150.0 4.080 3.716 4.280 0.000 -0.859 0.000 3/32256 160.0 3.776 3.433 3.956 0.000 -0.790 0.000 3/32256 170.0 3.516 3.192 3.680 0.000 -0.732 0.000 3/32256 180.0 3.292 2.983 3.441 0.000 -0.683 0.000 3/32256 190.0 3.097 2.801 3.234 0.000 -0.639 0.000 3/32256 200.0 2.925 2.641 3.051 0.000 -0.602 0.000 3/32256 210.0 2.773 2.499 2.889 0.000 -0.568 0.000 3/32256 220.0 2.637 2.373 2.744 0.000 -0.539 0.000 3/32256 230.0 2.515 2.259 2.614 0.000 -0.512 0.000 3/32256 240.0 2.405 2.157 2.497 0.000 -0.488 0.000 3/32256 250.0 2.305 2.064 2.390 0.000 -0.466 0.000 3/32256 260.0 2.214 1.979 2.292 0.000 -0.447 0.000 3/32256 270.0 2.131 1.901 2.203 0.000 -0.429 0.000 3/32256 280.0 2.054 1.830 2.121 0.000 -0.412 0.000 3/32256 290.0 1.984 1.764 2.045 0.000 -0.397 0.000 3/32256 300.0 1.918 1.703 1.975 0.000 -0.383 0.000 3/32256 310.0 1.857 1.646 1.909 0.000 -0.370 0.000 3/32256 320.0 1.800 1.593 1.848 0.000 -0.358 0.000 3/32256 330.0 1.747 1.544 1.792 0.000 -0.347 0.000 3/32256 340.0 1.697 1.498 1.738 0.000 -0.336 0.000 3/32256 350.0 1.651 1.455 1.688 0.000 -0.326 0.000 3/32256 360.0 1.607 1.414 1.641 0.000 -0.317 0.000 3/32256 370.0 1.565 1.376 1.597 0.000 -0.308 0.000 3/32256 380.0 1.526 1.340 1.555 0.000 -0.300 0.000 3/32256 390.0 1.489 1.306 1.515 0.000 -0.292 0.000 3/32256 400.0 1.453 1.273 1.477 0.000 -0.285 0.000 3/32256 410.0 1.420 1.242 1.442 0.000 -0.278 0.000 3/32256 420.0 1.388 1.213 1.408 0.000 -0.271 0.000 3/32256 430.0 1.357 1.185 1.375 0.000 -0.265 0.000 3/32256 440.0 1.328 1.159 1.344 0.000 -0.259 0.000 3/32256 450.0 1.300 1.134 1.315 0.000 -0.253 0.000 3/32256 460.0 1.274 1.109 1.287 0.000 -0.248 0.000 3/32256 470.0 1.248 1.086 1.260 0.000 -0.242 0.000 3/32256 480.0 1.224 1.064 1.234 0.000 -0.237 0.000 3/32256 490.0 1.200 1.043 1.209 0.000 -0.233 0.000 3/32256 500.0 1.178 1.023 1.186 0.000 -0.228 0.000 3/32256 510.0 1.156 1.003 1.163 0.000 -0.224 0.000 3/32256 520.0 1.135 0.984 1.141 0.000 -0.219 0.000 3/32256 530.0 1.115 0.966 1.120 0.000 -0.215 0.000 3/32256 540.0 1.095 0.949 1.100 0.000 -0.211 0.000 3/32256 550.0 1.077 0.932 1.080 0.000 -0.207 0.000 3/32256 560.0 1.059 0.916 1.061 0.000 -0.204 0.000 3/32256 570.0 1.041 0.900 1.043 0.000 -0.200 0.000 3/32256 580.0 1.024 0.885 1.025 0.000 -0.197 0.000 3/32256 590.0 1.008 0.870 1.008 0.000 -0.194 0.000 3/32256 600.0 0.992 0.856 0.992 0.000 -0.190 0.000 3/32256 610.0 0.977 0.843 0.976 0.000 -0.187 0.000 3/32256 620.0 0.962 0.829 0.960 0.000 -0.184 0.000 3/32256 630.0 0.947 0.817 0.946 0.000 -0.181 0.000 3/32256 640.0 0.933 0.804 0.931 0.000 -0.179 0.000 3/32256 650.0 0.920 0.792 0.917 0.000 -0.176 0.000 3/32256 660.0 0.907 0.780 0.903 0.000 -0.173 0.000 3/32256 670.0 0.894 0.769 0.890 0.000 -0.171 0.000 3/32256 680.0 0.881 0.758 0.877 0.000 -0.168 0.000 3/32256 690.0 0.869 0.747 0.865 0.000 -0.166 0.000 3/32256 700.0 0.857 0.737 0.853 0.000 -0.164 0.000 3/32256 710.0 0.846 0.727 0.841 0.000 -0.161 0.000 3/32256 720.0 0.835 0.717 0.830 0.000 -0.159 0.000 3/32256 730.0 0.824 0.707 0.819 0.000 -0.157 0.000 3/32256 740.0 0.813 0.698 0.808 0.000 -0.155 0.000 3/32256 750.0 0.803 0.689 0.797 0.000 -0.153 0.000 3/32256 760.0 0.793 0.680 0.787 0.000 -0.151 0.000 3/32256 770.0 0.783 0.672 0.777 0.000 -0.149 0.000 3/32256 780.0 0.773 0.663 0.767 0.000 -0.147 0.000 3/32256 790.0 0.764 0.655 0.758 0.000 -0.145 0.000 3/32256 800.0 0.755 0.647 0.748 0.000 -0.143 0.000 3/32256 810.0 0.746 0.639 0.739 0.000 -0.142 0.000 3/32256 820.0 0.737 0.632 0.730 0.000 -0.140 0.000 3/32256 830.0 0.729 0.624 0.722 0.000 -0.138 0.000 3/32256 840.0 0.720 0.617 0.713 0.000 -0.137 0.000 3/32256 850.0 0.712 0.610 0.705 0.000 -0.135 0.000 3/32256 860.0 0.704 0.603 0.697 0.000 -0.134 0.000 3/32256 870.0 0.697 0.596 0.689 0.000 -0.132 0.000 3/32256 880.0 0.689 0.590 0.681 0.000 -0.131 0.000 3/32256 890.0 0.682 0.583 0.674 0.000 -0.129 0.000 3/32256 900.0 0.674 0.577 0.667 0.000 -0.128 0.000 3/32256 910.0 0.667 0.570 0.659 0.000 -0.126 0.000 3/32256 920.0 0.660 0.564 0.652 0.000 -0.125 0.000 3/32256 930.0 0.653 0.558 0.645 0.000 -0.124 0.000 3/32256 940.0 0.647 0.553 0.639 0.000 -0.122 0.000 3/32256 950.0 0.640 0.547 0.632 0.000 -0.121 0.000 3/32256 960.0 0.634 0.541 0.626 0.000 -0.120 0.000 3/32256 970.0 0.627 0.536 0.619 0.000 -0.119 0.000 3/32256 980.0 0.621 0.531 0.613 0.000 -0.117 0.000 3/32256 990.0 0.615 0.525 0.607 0.000 -0.116 0.000 3/32256 1000.0 0.609 0.520 0.601 0.000 -0.115 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m846.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:11:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|