----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:45:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.263376530041930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.207691720698706 0.000000000000000 7.866490615754615 Atomic positions (fractional): *1 O 0.11046837721447 0.95235041744261 0.57988217233183 15.999 2 O 0.88953162278553 0.45235041744261 0.42011782766817 15.999 *3 O 0.02188426573879 0.16546883495325 0.35359721339190 15.999 4 O 0.97811573426121 0.66546883495325 0.64640278660810 15.999 *5 O 0.32172800686671 0.02399233486729 0.33980164256722 15.999 6 O 0.67827199313329 0.52399233486729 0.66019835743278 15.999 *7 O 0.46321325363631 0.81151611116562 0.53588724960181 15.999 8 O 0.53678674636368 0.31151611116562 0.46411275039819 15.999 *9 O 0.66479398432424 0.01441135676349 0.38357012597358 15.999 10 O 0.33520601567576 0.51441135676349 0.61642987402642 15.999 *11 O 0.48925992254945 0.79888340888022 0.21577815570979 15.999 12 O 0.51074007745056 0.29888340888022 0.78422184429021 15.999 *13 O 0.17938037113519 0.53295143853342 0.92760741569388 15.999 14 O 0.82061962886481 0.03295143853342 0.07239258430612 15.999 *15 O 0.92580619875105 0.35660697855955 0.04132296371936 15.999 16 O 0.07419380124895 0.85660697855955 0.95867703628064 15.999 *17 O 0.19039302444374 0.22728780564852 0.89507339746633 15.999 18 O 0.80960697555626 0.72728780564852 0.10492660253367 15.999 *19 O 0.96526471190123 0.36859186464207 0.72205854979936 15.999 20 O 0.03473528809877 0.86859186464207 0.27794145020064 15.999 *21 O 0.47958864162765 0.20490865979912 0.07930752004008 15.999 22 O 0.52041135837235 0.70490865979912 0.92069247995992 15.999 *23 O 0.41126095361151 0.01121843006454 0.82747253868954 15.999 24 O 0.58873904638849 0.51121843006454 0.17252746131046 15.999 *25 P 0.11337560211026 0.01000080257215 0.40031032827943 30.974 26 P 0.88662439788974 0.51000080257215 0.59968967172057 30.974 *27 P 0.49590220494678 0.91091934656315 0.38058682969706 30.974 28 P 0.50409779505322 0.41091934656315 0.61941317030294 30.974 *29 P 0.59752894250016 0.67537317521553 0.09631381665482 30.974 30 P 0.40247105749984 0.17537317521553 0.90368618334518 30.974 *31 P 0.93593347630741 0.88479723769514 0.09328514738940 30.974 32 P 0.06406652369259 0.38479723769515 0.90671485261060 30.974 *33 K 0.76662319337446 0.94464930690013 0.71876444740473 39.098 34 K 0.23337680662554 0.44464930690013 0.28123555259527 39.098 *35 Y 0.73779053589793 0.25924250973419 0.24283821100439 88.906 36 Y 0.26220946410207 0.75924250973419 0.75716178899561 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.263376530041930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.207691720698706 0.000000000000000 7.866490615754615 Atomic positions (fractional): *1 O 0.11046837721447 0.95235041744261 0.57988217233183 15.999 > 1 2 O 0.88953162278553 0.45235041744261 0.42011782766817 15.999 > 2 *3 O 0.02188426573879 0.16546883495325 0.35359721339190 15.999 > 3 4 O 0.97811573426121 0.66546883495325 0.64640278660810 15.999 > 4 *5 O 0.32172800686671 0.02399233486729 0.33980164256722 15.999 > 5 6 O 0.67827199313329 0.52399233486729 0.66019835743278 15.999 > 6 *7 O 0.46321325363631 0.81151611116562 0.53588724960181 15.999 > 7 8 O 0.53678674636368 0.31151611116562 0.46411275039819 15.999 > 8 *9 O 0.66479398432424 0.01441135676349 0.38357012597358 15.999 > 9 10 O 0.33520601567576 0.51441135676349 0.61642987402642 15.999 > 10 *11 O 0.48925992254945 0.79888340888022 0.21577815570979 15.999 > 11 12 O 0.51074007745056 0.29888340888022 0.78422184429021 15.999 > 12 *13 O 0.17938037113519 0.53295143853342 0.92760741569388 15.999 > 13 14 O 0.82061962886481 0.03295143853342 0.07239258430612 15.999 > 14 *15 O 0.92580619875105 0.35660697855955 0.04132296371936 15.999 > 15 16 O 0.07419380124895 0.85660697855955 0.95867703628064 15.999 > 16 *17 O 0.19039302444374 0.22728780564852 0.89507339746633 15.999 > 17 18 O 0.80960697555626 0.72728780564852 0.10492660253367 15.999 > 18 *19 O 0.96526471190123 0.36859186464207 0.72205854979936 15.999 > 19 20 O 0.03473528809877 0.86859186464207 0.27794145020064 15.999 > 20 *21 O 0.47958864162765 0.20490865979912 0.07930752004008 15.999 > 21 22 O 0.52041135837235 0.70490865979912 0.92069247995992 15.999 > 22 *23 O 0.41126095361151 0.01121843006454 0.82747253868954 15.999 > 23 24 O 0.58873904638849 0.51121843006454 0.17252746131046 15.999 > 24 *25 P 0.11337560211026 0.01000080257215 0.40031032827943 30.974 > 25 26 P 0.88662439788974 0.51000080257215 0.59968967172057 30.974 > 26 *27 P 0.49590220494678 0.91091934656315 0.38058682969706 30.974 > 27 28 P 0.50409779505322 0.41091934656315 0.61941317030294 30.974 > 28 *29 P 0.59752894250016 0.67537317521553 0.09631381665482 30.974 > 29 30 P 0.40247105749984 0.17537317521553 0.90368618334518 30.974 > 30 *31 P 0.93593347630741 0.88479723769514 0.09328514738940 30.974 > 31 32 P 0.06406652369259 0.38479723769515 0.90671485261060 30.974 > 32 *33 K 0.76662319337446 0.94464930690013 0.71876444740473 39.098 > 33 34 K 0.23337680662554 0.44464930690013 0.28123555259527 39.098 > 34 *35 Y 0.73779053589793 0.25924250973419 0.24283821100439 88.906 > 35 36 Y 0.26220946410207 0.75924250973419 0.75716178899561 88.906 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.526753060083861 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.415383441397412 0.000000000000000 15.732981231509230 Atomic positions (fractional): *1 O 0.05523418860723 0.95235041744261 0.28994108616592 15.999 > 1 2 O 0.55523418860723 0.95235041744261 0.28994108616592 15.999 > 1 3 O 0.05523418860723 0.95235041744261 0.78994108616592 15.999 > 1 4 O 0.55523418860723 0.95235041744261 0.78994108616592 15.999 > 1 5 O 0.44476581139277 0.45235041744261 0.21005891383409 15.999 > 2 6 O 0.94476581139277 0.45235041744261 0.21005891383409 15.999 > 2 7 O 0.44476581139277 0.45235041744261 0.71005891383409 15.999 > 2 8 O 0.94476581139277 0.45235041744261 0.71005891383409 15.999 > 2 *9 O 0.01094213286939 0.16546883495325 0.17679860669595 15.999 > 3 10 O 0.51094213286939 0.16546883495325 0.17679860669595 15.999 > 3 11 O 0.01094213286939 0.16546883495325 0.67679860669595 15.999 > 3 12 O 0.51094213286939 0.16546883495325 0.67679860669595 15.999 > 3 13 O 0.48905786713061 0.66546883495325 0.32320139330405 15.999 > 4 14 O 0.98905786713061 0.66546883495325 0.32320139330405 15.999 > 4 15 O 0.48905786713061 0.66546883495325 0.82320139330405 15.999 > 4 16 O 0.98905786713061 0.66546883495325 0.82320139330405 15.999 > 4 *17 O 0.16086400343335 0.02399233486729 0.16990082128361 15.999 > 5 18 O 0.66086400343335 0.02399233486729 0.16990082128361 15.999 > 5 19 O 0.16086400343335 0.02399233486729 0.66990082128361 15.999 > 5 20 O 0.66086400343335 0.02399233486729 0.66990082128361 15.999 > 5 21 O 0.33913599656665 0.52399233486729 0.33009917871639 15.999 > 6 22 O 0.83913599656665 0.52399233486729 0.33009917871639 15.999 > 6 23 O 0.33913599656665 0.52399233486729 0.83009917871639 15.999 > 6 24 O 0.83913599656665 0.52399233486729 0.83009917871639 15.999 > 6 *25 O 0.23160662681816 0.81151611116562 0.26794362480091 15.999 > 7 26 O 0.73160662681816 0.81151611116562 0.26794362480091 15.999 > 7 27 O 0.23160662681816 0.81151611116562 0.76794362480091 15.999 > 7 28 O 0.73160662681816 0.81151611116562 0.76794362480091 15.999 > 7 29 O 0.26839337318184 0.31151611116562 0.23205637519909 15.999 > 8 30 O 0.76839337318184 0.31151611116562 0.23205637519909 15.999 > 8 31 O 0.26839337318184 0.31151611116562 0.73205637519909 15.999 > 8 32 O 0.76839337318184 0.31151611116562 0.73205637519909 15.999 > 8 *33 O 0.33239699216212 0.01441135676349 0.19178506298679 15.999 > 9 34 O 0.83239699216212 0.01441135676349 0.19178506298679 15.999 > 9 35 O 0.33239699216212 0.01441135676349 0.69178506298679 15.999 > 9 36 O 0.83239699216212 0.01441135676349 0.69178506298679 15.999 > 9 37 O 0.16760300783788 0.51441135676349 0.30821493701321 15.999 > 10 38 O 0.66760300783788 0.51441135676349 0.30821493701321 15.999 > 10 39 O 0.16760300783788 0.51441135676349 0.80821493701321 15.999 > 10 40 O 0.66760300783788 0.51441135676349 0.80821493701321 15.999 > 10 *41 O 0.24462996127472 0.79888340888022 0.10788907785489 15.999 > 11 42 O 0.74462996127472 0.79888340888022 0.10788907785489 15.999 > 11 43 O 0.24462996127472 0.79888340888022 0.60788907785489 15.999 > 11 44 O 0.74462996127472 0.79888340888022 0.60788907785489 15.999 > 11 45 O 0.25537003872528 0.29888340888022 0.39211092214511 15.999 > 12 46 O 0.75537003872528 0.29888340888022 0.39211092214511 15.999 > 12 47 O 0.25537003872528 0.29888340888022 0.89211092214511 15.999 > 12 48 O 0.75537003872528 0.29888340888022 0.89211092214511 15.999 > 12 *49 O 0.08969018556760 0.53295143853342 0.46380370784694 15.999 > 13 50 O 0.58969018556760 0.53295143853342 0.46380370784694 15.999 > 13 51 O 0.08969018556760 0.53295143853342 0.96380370784694 15.999 > 13 52 O 0.58969018556760 0.53295143853342 0.96380370784694 15.999 > 13 53 O 0.41030981443240 0.03295143853342 0.03619629215306 15.999 > 14 54 O 0.91030981443240 0.03295143853342 0.03619629215306 15.999 > 14 55 O 0.41030981443240 0.03295143853342 0.53619629215306 15.999 > 14 56 O 0.91030981443240 0.03295143853342 0.53619629215306 15.999 > 14 *57 O 0.46290309937552 0.35660697855955 0.02066148185968 15.999 > 15 58 O 0.96290309937552 0.35660697855955 0.02066148185968 15.999 > 15 59 O 0.46290309937552 0.35660697855955 0.52066148185968 15.999 > 15 60 O 0.96290309937552 0.35660697855955 0.52066148185968 15.999 > 15 61 O 0.03709690062448 0.85660697855955 0.47933851814032 15.999 > 16 62 O 0.53709690062448 0.85660697855955 0.47933851814032 15.999 > 16 63 O 0.03709690062448 0.85660697855955 0.97933851814032 15.999 > 16 64 O 0.53709690062448 0.85660697855955 0.97933851814032 15.999 > 16 *65 O 0.09519651222187 0.22728780564852 0.44753669873316 15.999 > 17 66 O 0.59519651222187 0.22728780564852 0.44753669873316 15.999 > 17 67 O 0.09519651222187 0.22728780564852 0.94753669873316 15.999 > 17 68 O 0.59519651222187 0.22728780564852 0.94753669873316 15.999 > 17 69 O 0.40480348777813 0.72728780564852 0.05246330126684 15.999 > 18 70 O 0.90480348777813 0.72728780564852 0.05246330126684 15.999 > 18 71 O 0.40480348777813 0.72728780564852 0.55246330126684 15.999 > 18 72 O 0.90480348777813 0.72728780564852 0.55246330126684 15.999 > 18 *73 O 0.48263235595061 0.36859186464207 0.36102927489968 15.999 > 19 74 O 0.98263235595061 0.36859186464207 0.36102927489968 15.999 > 19 75 O 0.48263235595061 0.36859186464207 0.86102927489968 15.999 > 19 76 O 0.98263235595061 0.36859186464207 0.86102927489968 15.999 > 19 77 O 0.01736764404939 0.86859186464207 0.13897072510032 15.999 > 20 78 O 0.51736764404939 0.86859186464207 0.13897072510032 15.999 > 20 79 O 0.01736764404939 0.86859186464207 0.63897072510032 15.999 > 20 80 O 0.51736764404939 0.86859186464207 0.63897072510032 15.999 > 20 *81 O 0.23979432081383 0.20490865979912 0.03965376002004 15.999 > 21 82 O 0.73979432081383 0.20490865979912 0.03965376002004 15.999 > 21 83 O 0.23979432081383 0.20490865979912 0.53965376002004 15.999 > 21 84 O 0.73979432081383 0.20490865979912 0.53965376002004 15.999 > 21 85 O 0.26020567918617 0.70490865979912 0.46034623997996 15.999 > 22 86 O 0.76020567918617 0.70490865979912 0.46034623997996 15.999 > 22 87 O 0.26020567918617 0.70490865979912 0.96034623997996 15.999 > 22 88 O 0.76020567918617 0.70490865979912 0.96034623997996 15.999 > 22 *89 O 0.20563047680575 0.01121843006454 0.41373626934477 15.999 > 23 90 O 0.70563047680575 0.01121843006454 0.41373626934477 15.999 > 23 91 O 0.20563047680575 0.01121843006454 0.91373626934477 15.999 > 23 92 O 0.70563047680575 0.01121843006454 0.91373626934477 15.999 > 23 93 O 0.29436952319425 0.51121843006454 0.08626373065523 15.999 > 24 94 O 0.79436952319425 0.51121843006454 0.08626373065523 15.999 > 24 95 O 0.29436952319425 0.51121843006454 0.58626373065523 15.999 > 24 96 O 0.79436952319425 0.51121843006454 0.58626373065523 15.999 > 24 *97 P 0.05668780105513 0.01000080257215 0.20015516413972 30.974 > 25 98 P 0.55668780105513 0.01000080257215 0.20015516413972 30.974 > 25 99 P 0.05668780105513 0.01000080257215 0.70015516413972 30.974 > 25 100 P 0.55668780105513 0.01000080257215 0.70015516413972 30.974 > 25 101 P 0.44331219894487 0.51000080257215 0.29984483586028 30.974 > 26 102 P 0.94331219894487 0.51000080257215 0.29984483586028 30.974 > 26 103 P 0.44331219894487 0.51000080257215 0.79984483586028 30.974 > 26 104 P 0.94331219894487 0.51000080257215 0.79984483586028 30.974 > 26 *105 P 0.24795110247339 0.91091934656315 0.19029341484853 30.974 > 27 106 P 0.74795110247339 0.91091934656315 0.19029341484853 30.974 > 27 107 P 0.24795110247339 0.91091934656315 0.69029341484853 30.974 > 27 108 P 0.74795110247339 0.91091934656315 0.69029341484853 30.974 > 27 109 P 0.25204889752661 0.41091934656315 0.30970658515147 30.974 > 28 110 P 0.75204889752661 0.41091934656315 0.30970658515147 30.974 > 28 111 P 0.25204889752661 0.41091934656315 0.80970658515147 30.974 > 28 112 P 0.75204889752661 0.41091934656315 0.80970658515147 30.974 > 28 *113 P 0.29876447125008 0.67537317521553 0.04815690832741 30.974 > 29 114 P 0.79876447125008 0.67537317521553 0.04815690832741 30.974 > 29 115 P 0.29876447125008 0.67537317521553 0.54815690832741 30.974 > 29 116 P 0.79876447125008 0.67537317521553 0.54815690832741 30.974 > 29 117 P 0.20123552874992 0.17537317521553 0.45184309167259 30.974 > 30 118 P 0.70123552874992 0.17537317521553 0.45184309167259 30.974 > 30 119 P 0.20123552874992 0.17537317521553 0.95184309167259 30.974 > 30 120 P 0.70123552874992 0.17537317521553 0.95184309167259 30.974 > 30 *121 P 0.46796673815371 0.88479723769514 0.04664257369470 30.974 > 31 122 P 0.96796673815371 0.88479723769514 0.04664257369470 30.974 > 31 123 P 0.46796673815371 0.88479723769514 0.54664257369470 30.974 > 31 124 P 0.96796673815371 0.88479723769514 0.54664257369470 30.974 > 31 125 P 0.03203326184629 0.38479723769515 0.45335742630530 30.974 > 32 126 P 0.53203326184629 0.38479723769515 0.45335742630530 30.974 > 32 127 P 0.03203326184629 0.38479723769515 0.95335742630530 30.974 > 32 128 P 0.53203326184629 0.38479723769515 0.95335742630530 30.974 > 32 *129 K 0.38331159668723 0.94464930690013 0.35938222370237 39.098 > 33 130 K 0.88331159668723 0.94464930690013 0.35938222370237 39.098 > 33 131 K 0.38331159668723 0.94464930690013 0.85938222370237 39.098 > 33 132 K 0.88331159668723 0.94464930690013 0.85938222370237 39.098 > 33 133 K 0.11668840331277 0.44464930690013 0.14061777629763 39.098 > 34 134 K 0.61668840331277 0.44464930690013 0.14061777629763 39.098 > 34 135 K 0.11668840331277 0.44464930690013 0.64061777629763 39.098 > 34 136 K 0.61668840331277 0.44464930690013 0.64061777629763 39.098 > 34 *137 Y 0.36889526794897 0.25924250973419 0.12141910550220 88.906 > 35 138 Y 0.86889526794897 0.25924250973419 0.12141910550220 88.906 > 35 139 Y 0.36889526794897 0.25924250973419 0.62141910550220 88.906 > 35 140 Y 0.86889526794897 0.25924250973419 0.62141910550220 88.906 > 35 141 Y 0.13110473205103 0.75924250973419 0.37858089449780 88.906 > 36 142 Y 0.63110473205103 0.75924250973419 0.37858089449780 88.906 > 36 143 Y 0.13110473205103 0.75924250973419 0.87858089449780 88.906 > 36 144 Y 0.63110473205103 0.75924250973419 0.87858089449780 88.906 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7512209 0.0000000 -0.0092666 0.0000000 2.6880873 0.0000000 -0.0092665 0.0000000 2.7536337 -------------------------- Born effective charges -------------------------- 1 O -1.2361442 0.1662111 -0.0820454 0.1729441 -1.2836637 0.5421348 -0.1720066 0.6395632 -2.1259990 2 O -1.2361442 -0.1662111 -0.0820454 -0.1729441 -1.2836637 -0.5421348 -0.1720066 -0.6395632 -2.1259990 3 O -1.7065979 0.5163893 -0.3415921 0.6112270 -1.7932933 0.3538084 -0.3125401 0.1821342 -1.1532757 4 O -1.7065979 -0.5163893 -0.3415921 -0.6112270 -1.7932933 -0.3538084 -0.3125401 -0.1821342 -1.1532757 5 O -3.0153411 0.5899142 0.1436056 0.5014490 -1.1026445 0.1529094 0.0902295 0.1054664 -1.0039815 6 O -3.0153411 -0.5899142 0.1436056 -0.5014490 -1.1026445 -0.1529094 0.0902295 -0.1054664 -1.0039815 7 O -1.3658429 -0.1256749 0.4098056 -0.2631623 -1.2954584 0.4459731 0.5082704 0.5998960 -2.1449865 8 O -1.3658429 0.1256749 0.4098056 0.2631623 -1.2954584 -0.4459731 0.5082704 -0.5998960 -2.1449865 9 O -1.7105175 -0.6085360 0.2034764 -0.6140833 -1.7391031 0.2026732 0.0998784 0.1948497 -1.2509580 10 O -1.7105175 0.6085360 0.2034764 0.6140833 -1.7391031 -0.2026732 0.0998784 -0.1948497 -1.2509580 11 O -1.1928692 0.5759971 0.6409978 0.3049729 -1.9216058 -1.1978454 0.5169411 -1.2393626 -2.3236689 12 O -1.1928692 -0.5759971 0.6409978 -0.3049729 -1.9216058 1.1978454 0.5169411 1.2393626 -2.3236689 13 O -1.3408836 -0.3664535 0.0895636 -0.5481623 -1.9066371 0.2182318 0.0685504 0.1825358 -1.2505730 14 O -1.3408836 0.3664535 0.0895636 0.5481623 -1.9066371 -0.2182318 0.0685504 -0.1825358 -1.2505730 15 O -1.9084170 -0.2971027 0.8554077 -0.3260563 -1.1563271 0.4387460 0.9563352 0.3814454 -2.0401879 16 O -1.9084170 0.2971027 0.8554077 0.3260563 -1.1563271 -0.4387460 0.9563352 -0.3814454 -2.0401879 17 O -2.6394828 1.1654463 0.0072210 1.0402453 -1.7983265 -0.0099007 0.0777600 0.0099749 -0.8684706 18 O -2.6394828 -1.1654463 0.0072210 -1.0402453 -1.7983265 0.0099007 0.0777600 -0.0099749 -0.8684706 19 O -1.4372594 0.3166337 -0.9747601 0.1657494 -1.2691538 0.5489753 -0.7533609 0.5604343 -2.3892205 20 O -1.4372594 -0.3166337 -0.9747601 -0.1657494 -1.2691538 -0.5489753 -0.7533609 -0.5604343 -2.3892205 21 O -1.6362090 -0.2066848 -0.7970968 -0.0258641 -1.1562669 -0.1113991 -0.7762566 -0.2719743 -2.1987666 22 O -1.6362090 0.2066848 -0.7970968 0.0258641 -1.1562669 0.1113991 -0.7762566 0.2719743 -2.1987666 23 O -1.1606565 -0.2067881 -0.0844154 -0.1325359 -2.3545600 -0.5520048 -0.0284007 -0.3622367 -1.2423739 24 O -1.1606565 0.2067881 -0.0844154 0.1325359 -2.3545600 0.5520048 -0.0284007 0.3622367 -1.2423739 25 P 3.8798425 0.0279963 0.2866115 -0.3975310 2.9867058 -0.2272590 0.4011261 0.2149899 3.5678447 26 P 3.8798425 -0.0279963 0.2866115 0.3975310 2.9867058 0.2272590 0.4011261 -0.2149899 3.5678447 27 P 3.6635502 -0.3910423 -0.3913943 0.3138118 3.2722010 0.2831012 -0.2384024 0.0425758 3.7082006 28 P 3.6635502 0.3910423 -0.3913943 -0.3138118 3.2722010 -0.2831012 -0.2384024 -0.0425758 3.7082006 29 P 3.6542080 -0.1755507 0.3489552 0.3404779 3.8079666 0.1086287 -0.2202932 0.2737850 3.6457992 30 P 3.6542080 0.1755507 0.3489552 -0.3404779 3.8079666 -0.1086287 -0.2202932 -0.2737850 3.6457992 31 P 3.7488281 0.4313340 -0.0289000 -0.0171407 3.2495922 0.3975899 -0.2694275 0.1014194 3.6137086 32 P 3.7488281 -0.4313340 -0.0289000 0.0171407 3.2495922 -0.3975899 -0.2694275 -0.1014194 3.6137086 33 K 1.2957588 -0.0171702 0.0248403 -0.1066935 1.1096623 0.0299503 -0.0262378 -0.0046378 1.2935538 34 K 1.2957588 0.0171702 0.0248403 0.1066935 1.1096623 -0.0299503 -0.0262378 0.0046378 1.2935538 35 Y 4.1080335 0.1474941 -0.3102806 -0.4451392 4.3509124 -0.0098241 0.0778348 0.2185817 4.1633553 36 Y 4.1080335 -0.1474941 -0.3102806 0.4451392 4.3509124 0.0098241 0.0778348 -0.2185817 4.1633553 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), 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, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 2160 - Time: 6.348 Solver_block: 200 / 2160 - Time: 4.987 Solver_block: 300 / 2160 - Time: 5.034 Solver_block: 400 / 2160 - Time: 4.900 Solver_block: 500 / 2160 - Time: 5.191 Solver_block: 600 / 2160 - Time: 5.582 Solver_block: 700 / 2160 - Time: 5.598 Solver_block: 800 / 2160 - Time: 6.555 Solver_block: 900 / 2160 - Time: 7.294 Solver_block: 1000 / 2160 - Time: 6.429 Solver_block: 1100 / 2160 - Time: 6.623 Solver_block: 1200 / 2160 - Time: 7.430 Solver_block: 1300 / 2160 - Time: 4.851 Solver_block: 1400 / 2160 - Time: 4.968 Solver_block: 1500 / 2160 - Time: 5.301 Solver_block: 1600 / 2160 - Time: 4.696 Solver_block: 1700 / 2160 - Time: 5.518 Solver_block: 1800 / 2160 - Time: 6.707 Solver_block: 1900 / 2160 - Time: 5.415 Solver_block: 2000 / 2160 - Time: 5.195 Solver_block: 2100 / 2160 - Time: 7.405 Solver_block: 2160 / 2160 - Time: 3.319 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 130.976 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), 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, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), 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 04:50:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.263376530041930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.207691720698706 0.000000000000000 7.866490615754615 Atomic positions (fractional): 1 O 0.11046837721447 0.95235041744261 0.57988217233183 15.999 2 O 0.88953162278553 0.45235041744261 0.42011782766817 15.999 3 O 0.02188426573879 0.16546883495325 0.35359721339190 15.999 4 O 0.97811573426121 0.66546883495325 0.64640278660810 15.999 5 O 0.32172800686671 0.02399233486729 0.33980164256722 15.999 6 O 0.67827199313329 0.52399233486729 0.66019835743278 15.999 7 O 0.46321325363631 0.81151611116562 0.53588724960181 15.999 8 O 0.53678674636368 0.31151611116562 0.46411275039819 15.999 9 O 0.66479398432424 0.01441135676349 0.38357012597358 15.999 10 O 0.33520601567576 0.51441135676349 0.61642987402642 15.999 11 O 0.48925992254945 0.79888340888022 0.21577815570979 15.999 12 O 0.51074007745056 0.29888340888022 0.78422184429021 15.999 13 O 0.17938037113519 0.53295143853342 0.92760741569388 15.999 14 O 0.82061962886481 0.03295143853342 0.07239258430612 15.999 15 O 0.92580619875105 0.35660697855955 0.04132296371936 15.999 16 O 0.07419380124895 0.85660697855955 0.95867703628064 15.999 17 O 0.19039302444374 0.22728780564852 0.89507339746633 15.999 18 O 0.80960697555626 0.72728780564852 0.10492660253367 15.999 19 O 0.96526471190123 0.36859186464207 0.72205854979936 15.999 20 O 0.03473528809877 0.86859186464207 0.27794145020064 15.999 21 O 0.47958864162765 0.20490865979912 0.07930752004008 15.999 22 O 0.52041135837235 0.70490865979912 0.92069247995992 15.999 23 O 0.41126095361151 0.01121843006454 0.82747253868954 15.999 24 O 0.58873904638849 0.51121843006454 0.17252746131046 15.999 25 P 0.11337560211026 0.01000080257215 0.40031032827943 30.974 26 P 0.88662439788974 0.51000080257215 0.59968967172057 30.974 27 P 0.49590220494678 0.91091934656315 0.38058682969706 30.974 28 P 0.50409779505322 0.41091934656315 0.61941317030294 30.974 29 P 0.59752894250016 0.67537317521553 0.09631381665482 30.974 30 P 0.40247105749984 0.17537317521553 0.90368618334518 30.974 31 P 0.93593347630741 0.88479723769514 0.09328514738940 30.974 32 P 0.06406652369259 0.38479723769515 0.90671485261060 30.974 33 K 0.76662319337446 0.94464930690013 0.71876444740473 39.098 34 K 0.23337680662554 0.44464930690013 0.28123555259527 39.098 35 Y 0.73779053589793 0.25924250973419 0.24283821100439 88.906 36 Y 0.26220946410207 0.75924250973419 0.75716178899561 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.526753060083861 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.415383441397412 0.000000000000000 15.732981231509230 Atomic positions (fractional): 1 O 0.05523418860723 0.95235041744261 0.28994108616592 15.999 > 1 2 O 0.55523418860723 0.95235041744261 0.28994108616592 15.999 > 1 3 O 0.05523418860723 0.95235041744261 0.78994108616592 15.999 > 1 4 O 0.55523418860723 0.95235041744261 0.78994108616592 15.999 > 1 5 O 0.44476581139277 0.45235041744261 0.21005891383409 15.999 > 5 6 O 0.94476581139277 0.45235041744261 0.21005891383409 15.999 > 5 7 O 0.44476581139277 0.45235041744261 0.71005891383409 15.999 > 5 8 O 0.94476581139277 0.45235041744261 0.71005891383409 15.999 > 5 9 O 0.01094213286939 0.16546883495325 0.17679860669595 15.999 > 9 10 O 0.51094213286939 0.16546883495325 0.17679860669595 15.999 > 9 11 O 0.01094213286939 0.16546883495325 0.67679860669595 15.999 > 9 12 O 0.51094213286939 0.16546883495325 0.67679860669595 15.999 > 9 13 O 0.48905786713061 0.66546883495325 0.32320139330405 15.999 > 13 14 O 0.98905786713061 0.66546883495325 0.32320139330405 15.999 > 13 15 O 0.48905786713061 0.66546883495325 0.82320139330405 15.999 > 13 16 O 0.98905786713061 0.66546883495325 0.82320139330405 15.999 > 13 17 O 0.16086400343335 0.02399233486729 0.16990082128361 15.999 > 17 18 O 0.66086400343335 0.02399233486729 0.16990082128361 15.999 > 17 19 O 0.16086400343335 0.02399233486729 0.66990082128361 15.999 > 17 20 O 0.66086400343335 0.02399233486729 0.66990082128361 15.999 > 17 21 O 0.33913599656665 0.52399233486729 0.33009917871639 15.999 > 21 22 O 0.83913599656665 0.52399233486729 0.33009917871639 15.999 > 21 23 O 0.33913599656665 0.52399233486729 0.83009917871639 15.999 > 21 24 O 0.83913599656665 0.52399233486729 0.83009917871639 15.999 > 21 25 O 0.23160662681816 0.81151611116562 0.26794362480091 15.999 > 25 26 O 0.73160662681816 0.81151611116562 0.26794362480091 15.999 > 25 27 O 0.23160662681816 0.81151611116562 0.76794362480091 15.999 > 25 28 O 0.73160662681816 0.81151611116562 0.76794362480091 15.999 > 25 29 O 0.26839337318184 0.31151611116562 0.23205637519909 15.999 > 29 30 O 0.76839337318184 0.31151611116562 0.23205637519909 15.999 > 29 31 O 0.26839337318184 0.31151611116562 0.73205637519909 15.999 > 29 32 O 0.76839337318184 0.31151611116562 0.73205637519909 15.999 > 29 33 O 0.33239699216212 0.01441135676349 0.19178506298679 15.999 > 33 34 O 0.83239699216212 0.01441135676349 0.19178506298679 15.999 > 33 35 O 0.33239699216212 0.01441135676349 0.69178506298679 15.999 > 33 36 O 0.83239699216212 0.01441135676349 0.69178506298679 15.999 > 33 37 O 0.16760300783788 0.51441135676349 0.30821493701321 15.999 > 37 38 O 0.66760300783788 0.51441135676349 0.30821493701321 15.999 > 37 39 O 0.16760300783788 0.51441135676349 0.80821493701321 15.999 > 37 40 O 0.66760300783788 0.51441135676349 0.80821493701321 15.999 > 37 41 O 0.24462996127472 0.79888340888022 0.10788907785489 15.999 > 41 42 O 0.74462996127472 0.79888340888022 0.10788907785489 15.999 > 41 43 O 0.24462996127472 0.79888340888022 0.60788907785489 15.999 > 41 44 O 0.74462996127472 0.79888340888022 0.60788907785489 15.999 > 41 45 O 0.25537003872528 0.29888340888022 0.39211092214511 15.999 > 45 46 O 0.75537003872528 0.29888340888022 0.39211092214511 15.999 > 45 47 O 0.25537003872528 0.29888340888022 0.89211092214511 15.999 > 45 48 O 0.75537003872528 0.29888340888022 0.89211092214511 15.999 > 45 49 O 0.08969018556760 0.53295143853342 0.46380370784694 15.999 > 49 50 O 0.58969018556760 0.53295143853342 0.46380370784694 15.999 > 49 51 O 0.08969018556760 0.53295143853342 0.96380370784694 15.999 > 49 52 O 0.58969018556760 0.53295143853342 0.96380370784694 15.999 > 49 53 O 0.41030981443240 0.03295143853342 0.03619629215306 15.999 > 53 54 O 0.91030981443240 0.03295143853342 0.03619629215306 15.999 > 53 55 O 0.41030981443240 0.03295143853342 0.53619629215306 15.999 > 53 56 O 0.91030981443240 0.03295143853342 0.53619629215306 15.999 > 53 57 O 0.46290309937552 0.35660697855955 0.02066148185968 15.999 > 57 58 O 0.96290309937552 0.35660697855955 0.02066148185968 15.999 > 57 59 O 0.46290309937552 0.35660697855955 0.52066148185968 15.999 > 57 60 O 0.96290309937552 0.35660697855955 0.52066148185968 15.999 > 57 61 O 0.03709690062448 0.85660697855955 0.47933851814032 15.999 > 61 62 O 0.53709690062448 0.85660697855955 0.47933851814032 15.999 > 61 63 O 0.03709690062448 0.85660697855955 0.97933851814032 15.999 > 61 64 O 0.53709690062448 0.85660697855955 0.97933851814032 15.999 > 61 65 O 0.09519651222187 0.22728780564852 0.44753669873316 15.999 > 65 66 O 0.59519651222187 0.22728780564852 0.44753669873316 15.999 > 65 67 O 0.09519651222187 0.22728780564852 0.94753669873316 15.999 > 65 68 O 0.59519651222187 0.22728780564852 0.94753669873316 15.999 > 65 69 O 0.40480348777813 0.72728780564852 0.05246330126684 15.999 > 69 70 O 0.90480348777813 0.72728780564852 0.05246330126684 15.999 > 69 71 O 0.40480348777813 0.72728780564852 0.55246330126684 15.999 > 69 72 O 0.90480348777813 0.72728780564852 0.55246330126684 15.999 > 69 73 O 0.48263235595061 0.36859186464207 0.36102927489968 15.999 > 73 74 O 0.98263235595061 0.36859186464207 0.36102927489968 15.999 > 73 75 O 0.48263235595061 0.36859186464207 0.86102927489968 15.999 > 73 76 O 0.98263235595061 0.36859186464207 0.86102927489968 15.999 > 73 77 O 0.01736764404939 0.86859186464207 0.13897072510032 15.999 > 77 78 O 0.51736764404939 0.86859186464207 0.13897072510032 15.999 > 77 79 O 0.01736764404939 0.86859186464207 0.63897072510032 15.999 > 77 80 O 0.51736764404939 0.86859186464207 0.63897072510032 15.999 > 77 81 O 0.23979432081383 0.20490865979912 0.03965376002004 15.999 > 81 82 O 0.73979432081383 0.20490865979912 0.03965376002004 15.999 > 81 83 O 0.23979432081383 0.20490865979912 0.53965376002004 15.999 > 81 84 O 0.73979432081383 0.20490865979912 0.53965376002004 15.999 > 81 85 O 0.26020567918617 0.70490865979912 0.46034623997996 15.999 > 85 86 O 0.76020567918617 0.70490865979912 0.46034623997996 15.999 > 85 87 O 0.26020567918617 0.70490865979912 0.96034623997996 15.999 > 85 88 O 0.76020567918617 0.70490865979912 0.96034623997996 15.999 > 85 89 O 0.20563047680575 0.01121843006454 0.41373626934477 15.999 > 89 90 O 0.70563047680575 0.01121843006454 0.41373626934477 15.999 > 89 91 O 0.20563047680575 0.01121843006454 0.91373626934477 15.999 > 89 92 O 0.70563047680575 0.01121843006454 0.91373626934477 15.999 > 89 93 O 0.29436952319425 0.51121843006454 0.08626373065523 15.999 > 93 94 O 0.79436952319425 0.51121843006454 0.08626373065523 15.999 > 93 95 O 0.29436952319425 0.51121843006454 0.58626373065523 15.999 > 93 96 O 0.79436952319425 0.51121843006454 0.58626373065523 15.999 > 93 97 P 0.05668780105513 0.01000080257215 0.20015516413972 30.974 > 97 98 P 0.55668780105513 0.01000080257215 0.20015516413972 30.974 > 97 99 P 0.05668780105513 0.01000080257215 0.70015516413972 30.974 > 97 100 P 0.55668780105513 0.01000080257215 0.70015516413972 30.974 > 97 101 P 0.44331219894487 0.51000080257215 0.29984483586028 30.974 > 101 102 P 0.94331219894487 0.51000080257215 0.29984483586028 30.974 > 101 103 P 0.44331219894487 0.51000080257215 0.79984483586028 30.974 > 101 104 P 0.94331219894487 0.51000080257215 0.79984483586028 30.974 > 101 105 P 0.24795110247339 0.91091934656315 0.19029341484853 30.974 > 105 106 P 0.74795110247339 0.91091934656315 0.19029341484853 30.974 > 105 107 P 0.24795110247339 0.91091934656315 0.69029341484853 30.974 > 105 108 P 0.74795110247339 0.91091934656315 0.69029341484853 30.974 > 105 109 P 0.25204889752661 0.41091934656315 0.30970658515147 30.974 > 109 110 P 0.75204889752661 0.41091934656315 0.30970658515147 30.974 > 109 111 P 0.25204889752661 0.41091934656315 0.80970658515147 30.974 > 109 112 P 0.75204889752661 0.41091934656315 0.80970658515147 30.974 > 109 113 P 0.29876447125008 0.67537317521553 0.04815690832741 30.974 > 113 114 P 0.79876447125008 0.67537317521553 0.04815690832741 30.974 > 113 115 P 0.29876447125008 0.67537317521553 0.54815690832741 30.974 > 113 116 P 0.79876447125008 0.67537317521553 0.54815690832741 30.974 > 113 117 P 0.20123552874992 0.17537317521553 0.45184309167259 30.974 > 117 118 P 0.70123552874992 0.17537317521553 0.45184309167259 30.974 > 117 119 P 0.20123552874992 0.17537317521553 0.95184309167259 30.974 > 117 120 P 0.70123552874992 0.17537317521553 0.95184309167259 30.974 > 117 121 P 0.46796673815371 0.88479723769514 0.04664257369470 30.974 > 121 122 P 0.96796673815371 0.88479723769514 0.04664257369470 30.974 > 121 123 P 0.46796673815371 0.88479723769514 0.54664257369470 30.974 > 121 124 P 0.96796673815371 0.88479723769514 0.54664257369470 30.974 > 121 125 P 0.03203326184629 0.38479723769515 0.45335742630530 30.974 > 125 126 P 0.53203326184629 0.38479723769515 0.45335742630530 30.974 > 125 127 P 0.03203326184629 0.38479723769515 0.95335742630530 30.974 > 125 128 P 0.53203326184629 0.38479723769515 0.95335742630530 30.974 > 125 129 K 0.38331159668723 0.94464930690013 0.35938222370237 39.098 > 129 130 K 0.88331159668723 0.94464930690013 0.35938222370237 39.098 > 129 131 K 0.38331159668723 0.94464930690013 0.85938222370237 39.098 > 129 132 K 0.88331159668723 0.94464930690013 0.85938222370237 39.098 > 129 133 K 0.11668840331277 0.44464930690013 0.14061777629763 39.098 > 133 134 K 0.61668840331277 0.44464930690013 0.14061777629763 39.098 > 133 135 K 0.11668840331277 0.44464930690013 0.64061777629763 39.098 > 133 136 K 0.61668840331277 0.44464930690013 0.64061777629763 39.098 > 133 137 Y 0.36889526794897 0.25924250973419 0.12141910550220 88.906 > 137 138 Y 0.86889526794897 0.25924250973419 0.12141910550220 88.906 > 137 139 Y 0.36889526794897 0.25924250973419 0.62141910550220 88.906 > 137 140 Y 0.86889526794897 0.25924250973419 0.62141910550220 88.906 > 137 141 Y 0.13110473205103 0.75924250973419 0.37858089449780 88.906 > 141 142 Y 0.63110473205103 0.75924250973419 0.37858089449780 88.906 > 141 143 Y 0.13110473205103 0.75924250973419 0.87858089449780 88.906 > 141 144 Y 0.63110473205103 0.75924250973419 0.87858089449780 88.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7512209 0.0000000 -0.0092666 0.0000000 2.6880873 0.0000000 -0.0092665 0.0000000 2.7536337 -------------------------- Born effective charges -------------------------- 1 O -1.2361442 0.1662111 -0.0820454 0.1729441 -1.2836637 0.5421348 -0.1720066 0.6395632 -2.1259990 2 O -1.2361442 -0.1662111 -0.0820454 -0.1729441 -1.2836637 -0.5421348 -0.1720066 -0.6395632 -2.1259990 3 O -1.7065979 0.5163893 -0.3415921 0.6112270 -1.7932933 0.3538084 -0.3125401 0.1821342 -1.1532757 4 O -1.7065979 -0.5163893 -0.3415921 -0.6112270 -1.7932933 -0.3538084 -0.3125401 -0.1821342 -1.1532757 5 O -3.0153411 0.5899142 0.1436056 0.5014490 -1.1026445 0.1529094 0.0902295 0.1054664 -1.0039815 6 O -3.0153411 -0.5899142 0.1436056 -0.5014490 -1.1026445 -0.1529094 0.0902295 -0.1054664 -1.0039815 7 O -1.3658429 -0.1256749 0.4098056 -0.2631623 -1.2954584 0.4459731 0.5082704 0.5998960 -2.1449865 8 O -1.3658429 0.1256749 0.4098056 0.2631623 -1.2954584 -0.4459731 0.5082704 -0.5998960 -2.1449865 9 O -1.7105175 -0.6085360 0.2034764 -0.6140833 -1.7391031 0.2026732 0.0998784 0.1948497 -1.2509580 10 O -1.7105175 0.6085360 0.2034764 0.6140833 -1.7391031 -0.2026732 0.0998784 -0.1948497 -1.2509580 11 O -1.1928692 0.5759971 0.6409978 0.3049729 -1.9216058 -1.1978454 0.5169411 -1.2393626 -2.3236689 12 O -1.1928692 -0.5759971 0.6409978 -0.3049729 -1.9216058 1.1978454 0.5169411 1.2393626 -2.3236689 13 O -1.3408836 -0.3664535 0.0895636 -0.5481623 -1.9066371 0.2182318 0.0685504 0.1825358 -1.2505730 14 O -1.3408836 0.3664535 0.0895636 0.5481623 -1.9066371 -0.2182318 0.0685504 -0.1825358 -1.2505730 15 O -1.9084170 -0.2971027 0.8554077 -0.3260563 -1.1563271 0.4387460 0.9563352 0.3814454 -2.0401879 16 O -1.9084170 0.2971027 0.8554077 0.3260563 -1.1563271 -0.4387460 0.9563352 -0.3814454 -2.0401879 17 O -2.6394828 1.1654463 0.0072210 1.0402453 -1.7983265 -0.0099007 0.0777600 0.0099749 -0.8684706 18 O -2.6394828 -1.1654463 0.0072210 -1.0402453 -1.7983265 0.0099007 0.0777600 -0.0099749 -0.8684706 19 O -1.4372594 0.3166337 -0.9747601 0.1657494 -1.2691538 0.5489753 -0.7533609 0.5604343 -2.3892205 20 O -1.4372594 -0.3166337 -0.9747601 -0.1657494 -1.2691538 -0.5489753 -0.7533609 -0.5604343 -2.3892205 21 O -1.6362090 -0.2066848 -0.7970968 -0.0258641 -1.1562669 -0.1113991 -0.7762566 -0.2719743 -2.1987666 22 O -1.6362090 0.2066848 -0.7970968 0.0258641 -1.1562669 0.1113991 -0.7762566 0.2719743 -2.1987666 23 O -1.1606565 -0.2067881 -0.0844154 -0.1325359 -2.3545600 -0.5520048 -0.0284007 -0.3622367 -1.2423739 24 O -1.1606565 0.2067881 -0.0844154 0.1325359 -2.3545600 0.5520048 -0.0284007 0.3622367 -1.2423739 25 P 3.8798425 0.0279963 0.2866115 -0.3975310 2.9867058 -0.2272590 0.4011261 0.2149899 3.5678447 26 P 3.8798425 -0.0279963 0.2866115 0.3975310 2.9867058 0.2272590 0.4011261 -0.2149899 3.5678447 27 P 3.6635502 -0.3910423 -0.3913943 0.3138118 3.2722010 0.2831012 -0.2384024 0.0425758 3.7082006 28 P 3.6635502 0.3910423 -0.3913943 -0.3138118 3.2722010 -0.2831012 -0.2384024 -0.0425758 3.7082006 29 P 3.6542080 -0.1755507 0.3489552 0.3404779 3.8079666 0.1086287 -0.2202932 0.2737850 3.6457992 30 P 3.6542080 0.1755507 0.3489552 -0.3404779 3.8079666 -0.1086287 -0.2202932 -0.2737850 3.6457992 31 P 3.7488281 0.4313340 -0.0289000 -0.0171407 3.2495922 0.3975899 -0.2694275 0.1014194 3.6137086 32 P 3.7488281 -0.4313340 -0.0289000 0.0171407 3.2495922 -0.3975899 -0.2694275 -0.1014194 3.6137086 33 K 1.2957588 -0.0171702 0.0248403 -0.1066935 1.1096623 0.0299503 -0.0262378 -0.0046378 1.2935538 34 K 1.2957588 0.0171702 0.0248403 0.1066935 1.1096623 -0.0299503 -0.0262378 0.0046378 1.2935538 35 Y 4.1080335 0.1474941 -0.3102806 -0.4451392 4.3509124 -0.0098241 0.0778348 0.2185817 4.1633553 36 Y 4.1080335 -0.1474941 -0.3102806 0.4451392 4.3509124 0.0098241 0.0778348 -0.2185817 4.1633553 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 129, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 137, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 04:52:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:52:10]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.263376530041930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.207691720698706 0.000000000000000 7.866490615754615 Atomic positions (fractional): 1 O 0.11046837721447 0.95235041744261 0.57988217233183 15.999 2 O 0.88953162278553 0.45235041744261 0.42011782766817 15.999 3 O 0.02188426573879 0.16546883495325 0.35359721339190 15.999 4 O 0.97811573426121 0.66546883495325 0.64640278660810 15.999 5 O 0.32172800686671 0.02399233486729 0.33980164256722 15.999 6 O 0.67827199313329 0.52399233486729 0.66019835743278 15.999 7 O 0.46321325363631 0.81151611116562 0.53588724960181 15.999 8 O 0.53678674636368 0.31151611116562 0.46411275039819 15.999 9 O 0.66479398432424 0.01441135676349 0.38357012597358 15.999 10 O 0.33520601567576 0.51441135676349 0.61642987402642 15.999 11 O 0.48925992254945 0.79888340888022 0.21577815570979 15.999 12 O 0.51074007745056 0.29888340888022 0.78422184429021 15.999 13 O 0.17938037113519 0.53295143853342 0.92760741569388 15.999 14 O 0.82061962886481 0.03295143853342 0.07239258430612 15.999 15 O 0.92580619875105 0.35660697855955 0.04132296371936 15.999 16 O 0.07419380124895 0.85660697855955 0.95867703628064 15.999 17 O 0.19039302444374 0.22728780564852 0.89507339746633 15.999 18 O 0.80960697555626 0.72728780564852 0.10492660253367 15.999 19 O 0.96526471190123 0.36859186464207 0.72205854979936 15.999 20 O 0.03473528809877 0.86859186464207 0.27794145020064 15.999 21 O 0.47958864162765 0.20490865979912 0.07930752004008 15.999 22 O 0.52041135837235 0.70490865979912 0.92069247995992 15.999 23 O 0.41126095361151 0.01121843006454 0.82747253868954 15.999 24 O 0.58873904638849 0.51121843006454 0.17252746131046 15.999 25 P 0.11337560211026 0.01000080257215 0.40031032827943 30.974 26 P 0.88662439788974 0.51000080257215 0.59968967172057 30.974 27 P 0.49590220494678 0.91091934656315 0.38058682969706 30.974 28 P 0.50409779505322 0.41091934656315 0.61941317030294 30.974 29 P 0.59752894250016 0.67537317521553 0.09631381665482 30.974 30 P 0.40247105749984 0.17537317521553 0.90368618334518 30.974 31 P 0.93593347630741 0.88479723769514 0.09328514738940 30.974 32 P 0.06406652369259 0.38479723769515 0.90671485261060 30.974 33 K 0.76662319337446 0.94464930690013 0.71876444740473 39.098 34 K 0.23337680662554 0.44464930690013 0.28123555259527 39.098 35 Y 0.73779053589793 0.25924250973419 0.24283821100439 88.906 36 Y 0.26220946410207 0.75924250973419 0.75716178899561 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.526753060083861 0.000000000000000 0.000000000000000 b 0.000000000000000 8.308242260000000 0.000000000000000 c -0.415383441397412 0.000000000000000 15.732981231509230 Atomic positions (fractional): 1 O 0.05523418860723 0.95235041744261 0.28994108616592 15.999 > 1 2 O 0.55523418860723 0.95235041744261 0.28994108616592 15.999 > 1 3 O 0.05523418860723 0.95235041744261 0.78994108616592 15.999 > 1 4 O 0.55523418860723 0.95235041744261 0.78994108616592 15.999 > 1 5 O 0.44476581139277 0.45235041744261 0.21005891383409 15.999 > 5 6 O 0.94476581139277 0.45235041744261 0.21005891383409 15.999 > 5 7 O 0.44476581139277 0.45235041744261 0.71005891383409 15.999 > 5 8 O 0.94476581139277 0.45235041744261 0.71005891383409 15.999 > 5 9 O 0.01094213286939 0.16546883495325 0.17679860669595 15.999 > 9 10 O 0.51094213286939 0.16546883495325 0.17679860669595 15.999 > 9 11 O 0.01094213286939 0.16546883495325 0.67679860669595 15.999 > 9 12 O 0.51094213286939 0.16546883495325 0.67679860669595 15.999 > 9 13 O 0.48905786713061 0.66546883495325 0.32320139330405 15.999 > 13 14 O 0.98905786713061 0.66546883495325 0.32320139330405 15.999 > 13 15 O 0.48905786713061 0.66546883495325 0.82320139330405 15.999 > 13 16 O 0.98905786713061 0.66546883495325 0.82320139330405 15.999 > 13 17 O 0.16086400343335 0.02399233486729 0.16990082128361 15.999 > 17 18 O 0.66086400343335 0.02399233486729 0.16990082128361 15.999 > 17 19 O 0.16086400343335 0.02399233486729 0.66990082128361 15.999 > 17 20 O 0.66086400343335 0.02399233486729 0.66990082128361 15.999 > 17 21 O 0.33913599656665 0.52399233486729 0.33009917871639 15.999 > 21 22 O 0.83913599656665 0.52399233486729 0.33009917871639 15.999 > 21 23 O 0.33913599656665 0.52399233486729 0.83009917871639 15.999 > 21 24 O 0.83913599656665 0.52399233486729 0.83009917871639 15.999 > 21 25 O 0.23160662681816 0.81151611116562 0.26794362480091 15.999 > 25 26 O 0.73160662681816 0.81151611116562 0.26794362480091 15.999 > 25 27 O 0.23160662681816 0.81151611116562 0.76794362480091 15.999 > 25 28 O 0.73160662681816 0.81151611116562 0.76794362480091 15.999 > 25 29 O 0.26839337318184 0.31151611116562 0.23205637519909 15.999 > 29 30 O 0.76839337318184 0.31151611116562 0.23205637519909 15.999 > 29 31 O 0.26839337318184 0.31151611116562 0.73205637519909 15.999 > 29 32 O 0.76839337318184 0.31151611116562 0.73205637519909 15.999 > 29 33 O 0.33239699216212 0.01441135676349 0.19178506298679 15.999 > 33 34 O 0.83239699216212 0.01441135676349 0.19178506298679 15.999 > 33 35 O 0.33239699216212 0.01441135676349 0.69178506298679 15.999 > 33 36 O 0.83239699216212 0.01441135676349 0.69178506298679 15.999 > 33 37 O 0.16760300783788 0.51441135676349 0.30821493701321 15.999 > 37 38 O 0.66760300783788 0.51441135676349 0.30821493701321 15.999 > 37 39 O 0.16760300783788 0.51441135676349 0.80821493701321 15.999 > 37 40 O 0.66760300783788 0.51441135676349 0.80821493701321 15.999 > 37 41 O 0.24462996127472 0.79888340888022 0.10788907785489 15.999 > 41 42 O 0.74462996127472 0.79888340888022 0.10788907785489 15.999 > 41 43 O 0.24462996127472 0.79888340888022 0.60788907785489 15.999 > 41 44 O 0.74462996127472 0.79888340888022 0.60788907785489 15.999 > 41 45 O 0.25537003872528 0.29888340888022 0.39211092214511 15.999 > 45 46 O 0.75537003872528 0.29888340888022 0.39211092214511 15.999 > 45 47 O 0.25537003872528 0.29888340888022 0.89211092214511 15.999 > 45 48 O 0.75537003872528 0.29888340888022 0.89211092214511 15.999 > 45 49 O 0.08969018556760 0.53295143853342 0.46380370784694 15.999 > 49 50 O 0.58969018556760 0.53295143853342 0.46380370784694 15.999 > 49 51 O 0.08969018556760 0.53295143853342 0.96380370784694 15.999 > 49 52 O 0.58969018556760 0.53295143853342 0.96380370784694 15.999 > 49 53 O 0.41030981443240 0.03295143853342 0.03619629215306 15.999 > 53 54 O 0.91030981443240 0.03295143853342 0.03619629215306 15.999 > 53 55 O 0.41030981443240 0.03295143853342 0.53619629215306 15.999 > 53 56 O 0.91030981443240 0.03295143853342 0.53619629215306 15.999 > 53 57 O 0.46290309937552 0.35660697855955 0.02066148185968 15.999 > 57 58 O 0.96290309937552 0.35660697855955 0.02066148185968 15.999 > 57 59 O 0.46290309937552 0.35660697855955 0.52066148185968 15.999 > 57 60 O 0.96290309937552 0.35660697855955 0.52066148185968 15.999 > 57 61 O 0.03709690062448 0.85660697855955 0.47933851814032 15.999 > 61 62 O 0.53709690062448 0.85660697855955 0.47933851814032 15.999 > 61 63 O 0.03709690062448 0.85660697855955 0.97933851814032 15.999 > 61 64 O 0.53709690062448 0.85660697855955 0.97933851814032 15.999 > 61 65 O 0.09519651222187 0.22728780564852 0.44753669873316 15.999 > 65 66 O 0.59519651222187 0.22728780564852 0.44753669873316 15.999 > 65 67 O 0.09519651222187 0.22728780564852 0.94753669873316 15.999 > 65 68 O 0.59519651222187 0.22728780564852 0.94753669873316 15.999 > 65 69 O 0.40480348777813 0.72728780564852 0.05246330126684 15.999 > 69 70 O 0.90480348777813 0.72728780564852 0.05246330126684 15.999 > 69 71 O 0.40480348777813 0.72728780564852 0.55246330126684 15.999 > 69 72 O 0.90480348777813 0.72728780564852 0.55246330126684 15.999 > 69 73 O 0.48263235595061 0.36859186464207 0.36102927489968 15.999 > 73 74 O 0.98263235595061 0.36859186464207 0.36102927489968 15.999 > 73 75 O 0.48263235595061 0.36859186464207 0.86102927489968 15.999 > 73 76 O 0.98263235595061 0.36859186464207 0.86102927489968 15.999 > 73 77 O 0.01736764404939 0.86859186464207 0.13897072510032 15.999 > 77 78 O 0.51736764404939 0.86859186464207 0.13897072510032 15.999 > 77 79 O 0.01736764404939 0.86859186464207 0.63897072510032 15.999 > 77 80 O 0.51736764404939 0.86859186464207 0.63897072510032 15.999 > 77 81 O 0.23979432081383 0.20490865979912 0.03965376002004 15.999 > 81 82 O 0.73979432081383 0.20490865979912 0.03965376002004 15.999 > 81 83 O 0.23979432081383 0.20490865979912 0.53965376002004 15.999 > 81 84 O 0.73979432081383 0.20490865979912 0.53965376002004 15.999 > 81 85 O 0.26020567918617 0.70490865979912 0.46034623997996 15.999 > 85 86 O 0.76020567918617 0.70490865979912 0.46034623997996 15.999 > 85 87 O 0.26020567918617 0.70490865979912 0.96034623997996 15.999 > 85 88 O 0.76020567918617 0.70490865979912 0.96034623997996 15.999 > 85 89 O 0.20563047680575 0.01121843006454 0.41373626934477 15.999 > 89 90 O 0.70563047680575 0.01121843006454 0.41373626934477 15.999 > 89 91 O 0.20563047680575 0.01121843006454 0.91373626934477 15.999 > 89 92 O 0.70563047680575 0.01121843006454 0.91373626934477 15.999 > 89 93 O 0.29436952319425 0.51121843006454 0.08626373065523 15.999 > 93 94 O 0.79436952319425 0.51121843006454 0.08626373065523 15.999 > 93 95 O 0.29436952319425 0.51121843006454 0.58626373065523 15.999 > 93 96 O 0.79436952319425 0.51121843006454 0.58626373065523 15.999 > 93 97 P 0.05668780105513 0.01000080257215 0.20015516413972 30.974 > 97 98 P 0.55668780105513 0.01000080257215 0.20015516413972 30.974 > 97 99 P 0.05668780105513 0.01000080257215 0.70015516413972 30.974 > 97 100 P 0.55668780105513 0.01000080257215 0.70015516413972 30.974 > 97 101 P 0.44331219894487 0.51000080257215 0.29984483586028 30.974 > 101 102 P 0.94331219894487 0.51000080257215 0.29984483586028 30.974 > 101 103 P 0.44331219894487 0.51000080257215 0.79984483586028 30.974 > 101 104 P 0.94331219894487 0.51000080257215 0.79984483586028 30.974 > 101 105 P 0.24795110247339 0.91091934656315 0.19029341484853 30.974 > 105 106 P 0.74795110247339 0.91091934656315 0.19029341484853 30.974 > 105 107 P 0.24795110247339 0.91091934656315 0.69029341484853 30.974 > 105 108 P 0.74795110247339 0.91091934656315 0.69029341484853 30.974 > 105 109 P 0.25204889752661 0.41091934656315 0.30970658515147 30.974 > 109 110 P 0.75204889752661 0.41091934656315 0.30970658515147 30.974 > 109 111 P 0.25204889752661 0.41091934656315 0.80970658515147 30.974 > 109 112 P 0.75204889752661 0.41091934656315 0.80970658515147 30.974 > 109 113 P 0.29876447125008 0.67537317521553 0.04815690832741 30.974 > 113 114 P 0.79876447125008 0.67537317521553 0.04815690832741 30.974 > 113 115 P 0.29876447125008 0.67537317521553 0.54815690832741 30.974 > 113 116 P 0.79876447125008 0.67537317521553 0.54815690832741 30.974 > 113 117 P 0.20123552874992 0.17537317521553 0.45184309167259 30.974 > 117 118 P 0.70123552874992 0.17537317521553 0.45184309167259 30.974 > 117 119 P 0.20123552874992 0.17537317521553 0.95184309167259 30.974 > 117 120 P 0.70123552874992 0.17537317521553 0.95184309167259 30.974 > 117 121 P 0.46796673815371 0.88479723769514 0.04664257369470 30.974 > 121 122 P 0.96796673815371 0.88479723769514 0.04664257369470 30.974 > 121 123 P 0.46796673815371 0.88479723769514 0.54664257369470 30.974 > 121 124 P 0.96796673815371 0.88479723769514 0.54664257369470 30.974 > 121 125 P 0.03203326184629 0.38479723769515 0.45335742630530 30.974 > 125 126 P 0.53203326184629 0.38479723769515 0.45335742630530 30.974 > 125 127 P 0.03203326184629 0.38479723769515 0.95335742630530 30.974 > 125 128 P 0.53203326184629 0.38479723769515 0.95335742630530 30.974 > 125 129 K 0.38331159668723 0.94464930690013 0.35938222370237 39.098 > 129 130 K 0.88331159668723 0.94464930690013 0.35938222370237 39.098 > 129 131 K 0.38331159668723 0.94464930690013 0.85938222370237 39.098 > 129 132 K 0.88331159668723 0.94464930690013 0.85938222370237 39.098 > 129 133 K 0.11668840331277 0.44464930690013 0.14061777629763 39.098 > 133 134 K 0.61668840331277 0.44464930690013 0.14061777629763 39.098 > 133 135 K 0.11668840331277 0.44464930690013 0.64061777629763 39.098 > 133 136 K 0.61668840331277 0.44464930690013 0.64061777629763 39.098 > 133 137 Y 0.36889526794897 0.25924250973419 0.12141910550220 88.906 > 137 138 Y 0.86889526794897 0.25924250973419 0.12141910550220 88.906 > 137 139 Y 0.36889526794897 0.25924250973419 0.62141910550220 88.906 > 137 140 Y 0.86889526794897 0.25924250973419 0.62141910550220 88.906 > 137 141 Y 0.13110473205103 0.75924250973419 0.37858089449780 88.906 > 141 142 Y 0.63110473205103 0.75924250973419 0.37858089449780 88.906 > 141 143 Y 0.13110473205103 0.75924250973419 0.87858089449780 88.906 > 141 144 Y 0.63110473205103 0.75924250973419 0.87858089449780 88.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7512209 0.0000000 -0.0092666 0.0000000 2.6880873 0.0000000 -0.0092665 0.0000000 2.7536337 -------------------------- Born effective charges -------------------------- 1 O -1.2361442 0.1662111 -0.0820454 0.1729441 -1.2836637 0.5421348 -0.1720066 0.6395632 -2.1259990 2 O -1.2361442 -0.1662111 -0.0820454 -0.1729441 -1.2836637 -0.5421348 -0.1720066 -0.6395632 -2.1259990 3 O -1.7065979 0.5163893 -0.3415921 0.6112270 -1.7932933 0.3538084 -0.3125401 0.1821342 -1.1532757 4 O -1.7065979 -0.5163893 -0.3415921 -0.6112270 -1.7932933 -0.3538084 -0.3125401 -0.1821342 -1.1532757 5 O -3.0153411 0.5899142 0.1436056 0.5014490 -1.1026445 0.1529094 0.0902295 0.1054664 -1.0039815 6 O -3.0153411 -0.5899142 0.1436056 -0.5014490 -1.1026445 -0.1529094 0.0902295 -0.1054664 -1.0039815 7 O -1.3658429 -0.1256749 0.4098056 -0.2631623 -1.2954584 0.4459731 0.5082704 0.5998960 -2.1449865 8 O -1.3658429 0.1256749 0.4098056 0.2631623 -1.2954584 -0.4459731 0.5082704 -0.5998960 -2.1449865 9 O -1.7105175 -0.6085360 0.2034764 -0.6140833 -1.7391031 0.2026732 0.0998784 0.1948497 -1.2509580 10 O -1.7105175 0.6085360 0.2034764 0.6140833 -1.7391031 -0.2026732 0.0998784 -0.1948497 -1.2509580 11 O -1.1928692 0.5759971 0.6409978 0.3049729 -1.9216058 -1.1978454 0.5169411 -1.2393626 -2.3236689 12 O -1.1928692 -0.5759971 0.6409978 -0.3049729 -1.9216058 1.1978454 0.5169411 1.2393626 -2.3236689 13 O -1.3408836 -0.3664535 0.0895636 -0.5481623 -1.9066371 0.2182318 0.0685504 0.1825358 -1.2505730 14 O -1.3408836 0.3664535 0.0895636 0.5481623 -1.9066371 -0.2182318 0.0685504 -0.1825358 -1.2505730 15 O -1.9084170 -0.2971027 0.8554077 -0.3260563 -1.1563271 0.4387460 0.9563352 0.3814454 -2.0401879 16 O -1.9084170 0.2971027 0.8554077 0.3260563 -1.1563271 -0.4387460 0.9563352 -0.3814454 -2.0401879 17 O -2.6394828 1.1654463 0.0072210 1.0402453 -1.7983265 -0.0099007 0.0777600 0.0099749 -0.8684706 18 O -2.6394828 -1.1654463 0.0072210 -1.0402453 -1.7983265 0.0099007 0.0777600 -0.0099749 -0.8684706 19 O -1.4372594 0.3166337 -0.9747601 0.1657494 -1.2691538 0.5489753 -0.7533609 0.5604343 -2.3892205 20 O -1.4372594 -0.3166337 -0.9747601 -0.1657494 -1.2691538 -0.5489753 -0.7533609 -0.5604343 -2.3892205 21 O -1.6362090 -0.2066848 -0.7970968 -0.0258641 -1.1562669 -0.1113991 -0.7762566 -0.2719743 -2.1987666 22 O -1.6362090 0.2066848 -0.7970968 0.0258641 -1.1562669 0.1113991 -0.7762566 0.2719743 -2.1987666 23 O -1.1606565 -0.2067881 -0.0844154 -0.1325359 -2.3545600 -0.5520048 -0.0284007 -0.3622367 -1.2423739 24 O -1.1606565 0.2067881 -0.0844154 0.1325359 -2.3545600 0.5520048 -0.0284007 0.3622367 -1.2423739 25 P 3.8798425 0.0279963 0.2866115 -0.3975310 2.9867058 -0.2272590 0.4011261 0.2149899 3.5678447 26 P 3.8798425 -0.0279963 0.2866115 0.3975310 2.9867058 0.2272590 0.4011261 -0.2149899 3.5678447 27 P 3.6635502 -0.3910423 -0.3913943 0.3138118 3.2722010 0.2831012 -0.2384024 0.0425758 3.7082006 28 P 3.6635502 0.3910423 -0.3913943 -0.3138118 3.2722010 -0.2831012 -0.2384024 -0.0425758 3.7082006 29 P 3.6542080 -0.1755507 0.3489552 0.3404779 3.8079666 0.1086287 -0.2202932 0.2737850 3.6457992 30 P 3.6542080 0.1755507 0.3489552 -0.3404779 3.8079666 -0.1086287 -0.2202932 -0.2737850 3.6457992 31 P 3.7488281 0.4313340 -0.0289000 -0.0171407 3.2495922 0.3975899 -0.2694275 0.1014194 3.6137086 32 P 3.7488281 -0.4313340 -0.0289000 0.0171407 3.2495922 -0.3975899 -0.2694275 -0.1014194 3.6137086 33 K 1.2957588 -0.0171702 0.0248403 -0.1066935 1.1096623 0.0299503 -0.0262378 -0.0046378 1.2935538 34 K 1.2957588 0.0171702 0.0248403 0.1066935 1.1096623 -0.0299503 -0.0262378 0.0046378 1.2935538 35 Y 4.1080335 0.1474941 -0.3102806 -0.4451392 4.3509124 -0.0098241 0.0778348 0.2185817 4.1633553 36 Y 4.1080335 -0.1474941 -0.3102806 0.4451392 4.3509124 0.0098241 0.0778348 -0.2185817 4.1633553 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (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 ... [ 7 6 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: 0.53, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 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 1.853 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 10.147 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.722 ( 0.000 0.000 0.000) 0.000 11.404 ( 0.000 0.000 0.000) 0.000 11.534 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.124 ( 0.000 0.000 0.000) 0.000 14.244 ( 0.000 0.000 0.000) 0.000 14.505 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 0.000) 0.000 15.191 ( 0.000 0.000 0.000) 0.000 15.332 ( 0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 15.621 ( 0.000 0.000 0.000) 0.000 15.826 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 0.000) 0.000 17.036 ( 0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 19.090 ( 0.000 0.000 0.000) 0.000 19.399 ( 0.000 0.000 0.000) 0.000 20.983 ( 0.000 0.000 0.000) 0.000 21.129 ( 0.000 0.000 0.000) 0.000 21.227 ( 0.000 0.000 0.000) 0.000 21.645 ( 0.000 0.000 0.000) 0.000 22.948 ( 0.000 0.000 0.000) 0.000 23.148 ( 0.000 0.000 0.000) 0.000 26.399 ( 0.000 0.000 0.000) 0.000 26.403 ( 0.000 0.000 0.000) 0.000 29.300 ( 0.000 0.000 0.000) 0.000 29.533 ( 0.000 0.000 0.000) 0.000 30.153 ( 0.000 0.000 0.000) 0.000 30.643 ( 0.000 0.000 0.000) 0.000 31.075 ( 0.000 0.000 0.000) 0.000 31.244 ( 0.000 0.000 0.000) 0.000 31.398 ( 0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 32.498 ( 0.000 0.000 0.000) 0.000 32.584 ( 0.000 0.000 0.000) 0.000 32.672 ( 0.000 0.000 0.000) 0.000 32.695 ( 0.000 0.000 0.000) 0.000 33.909 ( 0.000 0.000 0.000) 0.000 34.196 ( 0.000 0.000 0.000) 0.000 35.163 ( 0.000 0.000 0.000) 0.000 35.402 ( 0.000 0.000 0.000) 0.000 35.784 ( 0.000 0.000 0.000) 0.000 35.816 ( 0.000 0.000 0.000) 0.000 36.185 ( 0.000 0.000 0.000) 0.000 36.303 ( 0.000 0.000 0.000) 0.000 36.495 ( 0.000 0.000 0.000) 0.000 38.643 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 31.844 0.000 -10.012) 33.381 0.782 ( 36.848 0.000 12.647) 38.958 1.086 ( 52.540 0.000 -6.115) 52.895 1.802 ( -3.450 0.000 -1.150) 3.637 1.876 ( 0.302 0.000 0.669) 0.734 2.123 ( -0.547 0.000 -1.866) 1.944 2.415 ( 0.041 0.000 -4.265) 4.266 2.555 ( -8.085 0.000 3.557) 8.833 2.743 ( 0.295 0.000 -5.150) 5.159 2.775 ( 1.900 0.000 5.543) 5.859 3.127 ( -2.851 0.000 6.799) 7.372 3.163 ( -0.044 0.000 -2.736) 2.737 3.384 ( -0.964 0.000 -1.138) 1.491 3.545 ( 10.095 0.000 -5.916) 11.700 3.911 ( 0.804 0.000 3.801) 3.885 4.092 ( -2.694 0.000 2.562) 3.718 4.190 ( -9.169 0.000 -1.698) 9.325 4.333 ( -1.891 0.000 -2.636) 3.245 4.583 ( -6.180 0.000 -6.388) 8.888 4.660 ( -2.751 0.000 0.093) 2.753 4.827 ( 3.626 0.000 4.393) 5.696 5.011 ( 2.506 0.000 -6.029) 6.529 5.031 ( 3.018 0.000 -4.032) 5.036 5.145 ( 0.251 0.000 7.663) 7.667 5.289 ( 5.639 0.000 0.768) 5.691 5.414 ( -5.404 0.000 1.304) 5.559 5.479 ( -6.288 0.000 2.277) 6.688 5.623 ( -3.033 0.000 1.284) 3.294 5.897 ( -4.991 0.000 4.814) 6.934 5.945 ( -4.431 0.000 5.076) 6.738 6.039 ( 2.177 0.000 1.627) 2.718 6.126 ( 6.052 0.000 0.285) 6.059 6.361 ( -4.551 0.000 -6.511) 7.944 6.618 ( 1.242 0.000 7.228) 7.334 6.853 ( -2.339 0.000 -0.294) 2.357 7.027 ( 2.516 0.000 -9.323) 9.657 7.306 ( 7.107 0.000 -4.655) 8.496 7.385 ( 3.568 0.000 -1.890) 4.037 7.721 ( -2.083 0.000 -3.188) 3.809 7.961 ( -13.212 0.000 3.088) 13.568 8.186 ( 0.980 0.000 3.022) 3.177 8.446 ( 10.382 0.000 -2.344) 10.643 8.919 ( -1.892 0.000 1.197) 2.239 9.149 ( 0.285 0.000 2.912) 2.926 9.494 ( -4.691 0.000 -4.079) 6.216 9.613 ( -0.341 0.000 -1.924) 1.954 9.774 ( 6.948 0.000 0.620) 6.976 9.809 ( -0.670 0.000 0.234) 0.709 10.173 ( -0.793 0.000 2.205) 2.344 10.252 ( 0.842 0.000 -1.415) 1.647 10.501 ( 2.263 0.000 -2.219) 3.170 10.771 ( -1.569 0.000 4.911) 5.155 11.349 ( -12.995 0.000 0.712) 13.014 11.376 ( -7.454 0.000 0.422) 7.466 11.530 ( -4.882 0.000 -1.776) 5.195 11.674 ( -1.177 0.000 1.936) 2.265 12.299 ( 13.334 0.000 -1.218) 13.390 12.458 ( 6.606 0.000 -2.326) 7.003 13.023 ( -2.989 0.000 -0.479) 3.027 13.170 ( 3.459 0.000 1.544) 3.788 13.529 ( 2.320 0.000 0.383) 2.351 13.858 ( -0.433 0.000 -1.819) 1.870 14.033 ( -2.134 0.000 -3.008) 3.688 14.211 ( -2.758 0.000 1.962) 3.385 14.481 ( -1.789 0.000 0.506) 1.859 14.645 ( -2.016 0.000 -6.064) 6.390 15.171 ( -3.231 0.000 14.736) 15.086 15.326 ( 6.980 0.000 -0.082) 6.981 15.423 ( -2.169 0.000 -4.499) 4.994 15.602 ( -1.091 0.000 -1.180) 1.607 15.815 ( -5.335 0.000 -2.559) 5.917 15.881 ( 0.713 0.000 -5.575) 5.620 16.085 ( 7.297 0.000 -0.175) 7.299 16.268 ( 6.216 0.000 3.816) 7.293 17.008 ( -2.789 0.000 -0.439) 2.824 17.152 ( -2.717 0.000 0.804) 2.833 19.126 ( 3.488 0.000 -0.670) 3.551 19.434 ( 0.787 0.000 2.368) 2.496 20.957 ( -2.413 0.000 1.447) 2.814 21.080 ( -3.239 0.000 -0.594) 3.293 21.343 ( 9.020 0.000 -0.229) 9.023 21.762 ( 3.128 0.000 -1.396) 3.425 22.921 ( -2.682 0.000 -0.711) 2.775 23.154 ( -5.863 0.000 -2.272) 6.288 26.495 ( 9.425 0.000 -0.532) 9.440 27.963 ( 0.578 0.000 34.084) 34.089 29.131 ( -20.563 0.000 -11.518) 23.569 29.312 ( -13.716 0.000 -13.265) 19.081 30.408 ( 18.723 0.000 2.227) 18.855 30.748 ( 9.020 0.000 -0.887) 9.064 31.188 ( 4.843 0.000 -5.605) 7.407 31.290 ( 4.474 0.000 -1.250) 4.646 31.403 ( 0.523 0.000 -0.240) 0.575 32.114 ( -9.755 0.000 8.876) 13.189 32.384 ( -12.549 0.000 10.859) 16.595 32.447 ( -8.420 0.000 -1.602) 8.571 32.834 ( 12.158 0.000 1.986) 12.319 32.949 ( 13.946 0.000 -1.336) 14.010 33.872 ( -3.908 0.000 0.303) 3.920 34.151 ( -4.557 0.000 -0.088) 4.558 35.188 ( 2.506 0.000 -0.946) 2.679 35.404 ( 0.155 0.000 1.077) 1.089 35.817 ( 0.101 0.000 -0.306) 0.322 36.134 ( -0.086 0.000 -21.290) 21.290 36.224 ( -1.468 0.000 -1.669) 2.223 36.327 ( 1.913 0.000 -17.447) 17.551 37.416 ( 4.517 0.000 15.718) 16.354 38.597 ( -6.899 0.000 1.036) 6.976 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 17.940 0.000 -14.178) 22.866 1.389 ( 20.073 0.000 10.217) 22.524 1.785 ( 5.910 0.000 2.612) 6.462 1.870 ( 2.630 0.000 -1.488) 3.022 1.962 ( 25.997 0.000 -7.207) 26.977 2.209 ( 9.905 0.000 9.897) 14.002 2.381 ( -5.069 0.000 -0.613) 5.106 2.447 ( -1.515 0.000 4.051) 4.325 2.702 ( 1.345 0.000 1.678) 2.150 2.957 ( 9.955 0.000 -6.493) 11.885 2.991 ( 1.368 0.000 -1.757) 2.227 3.200 ( -0.700 0.000 2.035) 2.152 3.312 ( -3.574 0.000 -7.614) 8.411 3.737 ( 5.838 0.000 -7.334) 9.374 3.921 ( 0.122 0.000 4.297) 4.299 4.001 ( -6.635 0.000 4.193) 7.849 4.077 ( -1.383 0.000 3.630) 3.884 4.295 ( -1.196 0.000 -2.779) 3.026 4.438 ( -7.242 0.000 -2.468) 7.651 4.634 ( -1.242 0.000 -1.098) 1.658 4.837 ( -5.454 0.000 1.966) 5.798 5.011 ( -1.684 0.000 -6.882) 7.085 5.093 ( 1.256 0.000 -4.985) 5.141 5.135 ( 1.705 0.000 4.775) 5.070 5.242 ( -3.697 0.000 5.249) 6.421 5.431 ( -0.356 0.000 3.798) 3.815 5.444 ( -2.567 0.000 1.688) 3.072 5.542 ( -1.119 0.000 1.482) 1.857 5.715 ( -10.748 0.000 1.251) 10.821 5.869 ( -1.247 0.000 -0.288) 1.280 6.088 ( 3.026 0.000 0.445) 3.058 6.214 ( 0.918 0.000 4.231) 4.329 6.339 ( 2.217 0.000 -1.308) 2.574 6.563 ( -4.394 0.000 6.153) 7.561 6.922 ( 6.499 0.000 -0.411) 6.512 7.044 ( 0.536 0.000 -1.218) 1.331 7.375 ( 0.019 0.000 -7.496) 7.496 7.520 ( 7.000 0.000 -1.384) 7.135 7.650 ( -4.722 0.000 -3.457) 5.852 7.701 ( -11.069 0.000 3.130) 11.503 8.225 ( 2.857 0.000 -0.236) 2.867 8.645 ( 9.124 0.000 -2.968) 9.594 8.891 ( -0.853 0.000 2.069) 2.238 9.154 ( 0.038 0.000 4.159) 4.159 9.430 ( -1.380 0.000 -3.147) 3.436 9.604 ( -0.380 0.000 -1.651) 1.694 9.748 ( -2.802 0.000 3.549) 4.522 9.960 ( 8.334 0.000 -4.547) 9.494 10.076 ( -5.693 0.000 1.688) 5.938 10.335 ( 5.415 0.000 -2.879) 6.132 10.536 ( 0.408 0.000 -3.101) 3.128 10.735 ( -2.322 0.000 5.883) 6.325 11.046 ( -13.830 0.000 3.613) 14.294 11.207 ( -9.992 0.000 -1.794) 10.152 11.493 ( 0.392 0.000 -1.081) 1.150 11.638 ( -2.105 0.000 1.495) 2.582 12.543 ( 9.992 0.000 -1.475) 10.101 12.601 ( 7.290 0.000 0.069) 7.290 12.974 ( -1.701 0.000 -0.276) 1.723 13.219 ( 1.236 0.000 0.779) 1.461 13.609 ( 5.778 0.000 0.430) 5.794 13.850 ( -0.042 0.000 -1.398) 1.398 13.958 ( -4.783 0.000 0.064) 4.783 14.136 ( -5.351 0.000 -0.341) 5.361 14.427 ( -3.647 0.000 -0.786) 3.730 14.638 ( 1.979 0.000 -2.820) 3.445 15.079 ( -4.878 0.000 11.191) 12.208 15.326 ( -4.143 0.000 -4.981) 6.479 15.523 ( 6.558 0.000 -4.841) 8.151 15.602 ( 1.559 0.000 -1.173) 1.951 15.729 ( -1.572 0.000 -0.349) 1.610 15.888 ( -0.157 0.000 -2.026) 2.032 16.254 ( 8.610 0.000 2.211) 8.889 16.379 ( 4.819 0.000 1.373) 5.011 16.933 ( -4.503 0.000 -0.071) 4.503 17.087 ( -3.679 0.000 0.960) 3.802 19.211 ( 4.743 0.000 -0.929) 4.833 19.448 ( 0.305 0.000 1.284) 1.319 20.906 ( -2.402 0.000 1.421) 2.791 21.025 ( -2.337 0.000 -0.849) 2.486 21.548 ( 11.320 0.000 -0.598) 11.336 21.833 ( 3.606 0.000 -0.841) 3.703 22.849 ( -4.254 0.000 -1.830) 4.631 23.006 ( -8.312 0.000 1.001) 8.372 26.746 ( 15.198 0.000 -0.668) 15.212 28.002 ( 1.815 0.000 14.978) 15.088 28.657 ( -24.362 0.000 -1.038) 24.384 29.055 ( -11.522 0.000 -10.025) 15.272 30.765 ( 16.265 0.000 0.581) 16.276 30.927 ( 8.050 0.000 -0.707) 8.081 31.326 ( 9.243 0.000 -3.905) 10.034 31.376 ( 1.758 0.000 -0.883) 1.967 31.442 ( 5.295 0.000 -0.310) 5.304 31.915 ( -9.672 0.000 3.108) 10.159 32.147 ( -11.484 0.000 3.591) 12.032 32.262 ( -10.524 0.000 1.522) 10.633 33.078 ( 12.010 0.000 0.386) 12.017 33.219 ( 13.239 0.000 -0.386) 13.245 33.766 ( -6.573 0.000 0.328) 6.581 34.024 ( -8.064 0.000 -0.043) 8.065 35.252 ( 3.749 0.000 -1.746) 4.136 35.406 ( -0.122 0.000 1.964) 1.968 35.819 ( 0.150 0.000 -0.415) 0.442 36.099 ( -2.319 0.000 -8.331) 8.648 36.219 ( 0.639 0.000 5.529) 5.566 36.346 ( 0.836 0.000 -12.258) 12.287 37.553 ( 8.491 0.000 7.014) 11.013 38.414 ( -11.045 0.000 -0.017) 11.045 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 13.630 0.000 -11.496) 17.831 1.571 ( 5.459 0.000 3.096) 6.275 1.806 ( -5.103 0.000 2.815) 5.827 1.884 ( -10.128 0.000 5.153) 11.363 2.116 ( -3.185 0.000 0.238) 3.194 2.215 ( -0.409 0.000 3.038) 3.066 2.438 ( 17.338 0.000 -3.608) 17.710 2.700 ( -0.363 0.000 0.821) 0.898 2.765 ( 13.021 0.000 6.030) 14.349 3.025 ( -0.626 0.000 2.443) 2.522 3.181 ( 0.345 0.000 -6.550) 6.559 3.199 ( -1.887 0.000 0.903) 2.092 3.368 ( 18.919 0.000 -6.706) 20.072 3.661 ( -9.818 0.000 -7.282) 12.224 3.942 ( 5.223 0.000 5.501) 7.586 3.999 ( -4.289 0.000 1.779) 4.643 4.029 ( 1.565 0.000 0.428) 1.622 4.246 ( -3.341 0.000 1.632) 3.718 4.403 ( 1.431 0.000 -2.010) 2.467 4.486 ( -10.104 0.000 -1.216) 10.177 4.784 ( 4.686 0.000 0.574) 4.722 4.977 ( -4.469 0.000 -0.096) 4.470 5.046 ( -5.661 0.000 -3.657) 6.739 5.091 ( -4.111 0.000 -0.721) 4.173 5.274 ( 1.652 0.000 8.742) 8.896 5.323 ( -3.762 0.000 0.766) 3.839 5.386 ( -0.992 0.000 -1.233) 1.582 5.526 ( 0.224 0.000 2.516) 2.526 5.626 ( -1.934 0.000 -3.541) 4.035 5.901 ( 2.705 0.000 0.440) 2.740 6.157 ( 3.155 0.000 -3.136) 4.449 6.213 ( -0.167 0.000 5.773) 5.775 6.396 ( 3.158 0.000 -3.245) 4.528 6.487 ( -4.070 0.000 4.841) 6.324 7.015 ( 2.227 0.000 0.313) 2.249 7.061 ( 0.841 0.000 1.024) 1.325 7.368 ( 0.147 0.000 -5.125) 5.127 7.465 ( -5.118 0.000 0.410) 5.134 7.555 ( -3.525 0.000 -1.331) 3.768 7.685 ( 2.546 0.000 1.155) 2.796 8.284 ( 2.294 0.000 -0.827) 2.438 8.759 ( 2.149 0.000 -1.912) 2.877 8.897 ( 1.154 0.000 1.503) 1.895 9.158 ( 0.126 0.000 1.879) 1.884 9.431 ( 0.901 0.000 -1.445) 1.703 9.598 ( -0.132 0.000 -0.838) 0.848 9.713 ( -0.636 0.000 2.741) 2.814 9.908 ( -5.368 0.000 -0.805) 5.428 10.188 ( 9.530 0.000 -1.429) 9.636 10.412 ( 0.018 0.000 -4.145) 4.145 10.491 ( -2.781 0.000 -1.441) 3.132 10.669 ( -3.840 0.000 4.739) 6.099 10.900 ( -1.044 0.000 4.155) 4.284 11.034 ( -6.284 0.000 -2.471) 6.753 11.514 ( 1.206 0.000 -0.609) 1.351 11.602 ( -1.337 0.000 0.728) 1.523 12.663 ( 2.768 0.000 -0.140) 2.772 12.713 ( 2.951 0.000 -0.439) 2.983 12.964 ( 0.408 0.000 0.103) 0.421 13.229 ( 0.090 0.000 0.273) 0.288 13.734 ( 5.834 0.000 0.056) 5.835 13.859 ( -0.698 0.000 -0.119) 0.708 13.874 ( -1.802 0.000 1.087) 2.104 14.016 ( -5.393 0.000 -1.923) 5.725 14.358 ( -2.412 0.000 -0.296) 2.430 14.681 ( 1.317 0.000 -0.842) 1.563 15.065 ( 3.518 0.000 8.958) 9.624 15.202 ( -7.366 0.000 -7.433) 10.465 15.575 ( 0.196 0.000 -0.831) 0.854 15.637 ( 1.174 0.000 -0.466) 1.263 15.775 ( 4.521 0.000 -3.896) 5.968 15.865 ( -2.393 0.000 3.664) 4.376 16.390 ( 4.402 0.000 -0.414) 4.421 16.453 ( 2.160 0.000 0.779) 2.296 16.853 ( -2.748 0.000 0.242) 2.759 17.025 ( -2.021 0.000 0.310) 2.045 19.290 ( 2.640 0.000 -0.559) 2.699 19.444 ( -0.487 0.000 0.617) 0.786 20.873 ( -0.867 0.000 0.566) 1.036 20.990 ( -1.009 0.000 -0.371) 1.076 21.752 ( 8.000 0.000 -0.700) 8.031 21.872 ( -0.332 0.000 0.232) 0.404 22.771 ( -2.829 0.000 -1.683) 3.292 22.874 ( -3.954 0.000 1.426) 4.203 27.026 ( 10.359 0.000 -0.304) 10.363 28.025 ( -0.767 0.000 4.082) 4.153 28.272 ( -11.400 0.000 0.945) 11.439 28.880 ( -4.949 0.000 -3.882) 6.290 31.009 ( 7.503 0.000 -0.267) 7.507 31.041 ( 3.076 0.000 0.282) 3.089 31.374 ( -0.682 0.000 -0.697) 0.975 31.508 ( 6.879 0.000 -4.856) 8.420 31.559 ( 4.571 0.000 3.179) 5.567 31.781 ( -2.838 0.000 0.280) 2.852 31.955 ( -7.028 0.000 1.897) 7.279 32.063 ( -7.871 0.000 0.760) 7.908 33.284 ( 7.760 0.000 -0.011) 7.760 33.440 ( 7.286 0.000 -0.395) 7.297 33.643 ( -4.242 0.000 0.375) 4.259 33.857 ( -7.367 0.000 0.038) 7.367 35.318 ( 2.436 0.000 -1.595) 2.912 35.399 ( -0.681 0.000 1.715) 1.846 35.822 ( 0.092 0.000 -0.201) 0.221 36.056 ( -1.309 0.000 -1.857) 2.272 36.237 ( 0.608 0.000 2.491) 2.565 36.350 ( 0.089 0.000 -4.826) 4.827 37.726 ( 7.155 0.000 2.694) 7.645 38.205 ( -8.250 0.000 -0.580) 8.271 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 21.941 0.000) 21.941 0.666 ( 0.000 31.353 0.000) 31.353 1.118 ( 0.000 49.242 0.000) 49.242 1.836 ( 0.000 -1.687 0.000) 1.687 2.008 ( 0.000 -3.203 0.000) 3.203 2.248 ( 0.000 10.414 0.000) 10.414 2.297 ( 0.000 -12.351 0.000) 12.351 2.677 ( 0.000 -3.078 0.000) 3.078 2.728 ( 0.000 5.991 0.000) 5.991 2.903 ( 0.000 -4.706 0.000) 4.706 2.970 ( 0.000 2.044 0.000) 2.044 3.260 ( 0.000 0.750 0.000) 0.750 3.399 ( 0.000 6.618 0.000) 6.618 3.454 ( 0.000 1.515 0.000) 1.515 3.929 ( 0.000 2.463 0.000) 2.463 4.120 ( 0.000 -2.586 0.000) 2.586 4.240 ( 0.000 0.315 0.000) 0.315 4.312 ( 0.000 -4.713 0.000) 4.713 4.674 ( 0.000 4.128 0.000) 4.128 4.743 ( 0.000 2.772 0.000) 2.772 4.767 ( 0.000 -1.677 0.000) 1.677 4.867 ( 0.000 -4.984 0.000) 4.984 5.120 ( 0.000 5.163 0.000) 5.163 5.148 ( 0.000 -4.264 0.000) 4.264 5.153 ( 0.000 6.811 0.000) 6.811 5.449 ( 0.000 -4.185 0.000) 4.185 5.731 ( 0.000 6.966 0.000) 6.966 5.761 ( 0.000 -0.397 0.000) 0.397 5.978 ( 0.000 0.747 0.000) 0.747 6.002 ( 0.000 3.271 0.000) 3.271 6.078 ( 0.000 3.639 0.000) 3.639 6.270 ( 0.000 2.919 0.000) 2.919 6.369 ( 0.000 -1.313 0.000) 1.313 6.537 ( 0.000 -4.193 0.000) 4.193 6.833 ( 0.000 3.930 0.000) 3.930 6.941 ( 0.000 1.114 0.000) 1.114 7.345 ( 0.000 4.355 0.000) 4.355 7.747 ( 0.000 2.045 0.000) 2.045 7.910 ( 0.000 -2.510 0.000) 2.510 8.053 ( 0.000 -3.603 0.000) 3.603 8.163 ( 0.000 -4.751 0.000) 4.751 8.275 ( 0.000 -1.294 0.000) 1.294 8.931 ( 0.000 -0.753 0.000) 0.753 9.189 ( 0.000 -0.036 0.000) 0.036 9.570 ( 0.000 -4.137 0.000) 4.137 9.587 ( 0.000 -2.464 0.000) 2.464 9.695 ( 0.000 -0.037 0.000) 0.037 9.757 ( 0.000 -4.509 0.000) 4.509 10.091 ( 0.000 -5.210 0.000) 5.210 10.258 ( 0.000 -2.121 0.000) 2.121 10.497 ( 0.000 1.428 0.000) 1.428 10.672 ( 0.000 -4.181 0.000) 4.181 11.396 ( 0.000 -0.758 0.000) 0.758 11.502 ( 0.000 -2.894 0.000) 2.894 11.610 ( 0.000 -0.474 0.000) 0.474 11.661 ( 0.000 -1.167 0.000) 1.167 12.146 ( 0.000 1.290 0.000) 1.290 12.264 ( 0.000 -0.378 0.000) 0.378 13.042 ( 0.000 0.645 0.000) 0.645 13.072 ( 0.000 -0.393 0.000) 0.393 13.528 ( 0.000 1.264 0.000) 1.264 13.569 ( 0.000 1.191 0.000) 1.191 14.027 ( 0.000 -0.270 0.000) 0.270 14.111 ( 0.000 -1.274 0.000) 1.274 14.526 ( 0.000 1.948 0.000) 1.948 14.621 ( 0.000 0.653 0.000) 0.653 15.149 ( 0.000 -0.834 0.000) 0.834 15.239 ( 0.000 -1.036 0.000) 1.036 15.380 ( 0.000 3.919 0.000) 3.919 15.566 ( 0.000 -0.824 0.000) 0.824 15.636 ( 0.000 1.564 0.000) 1.564 15.845 ( 0.000 1.235 0.000) 1.235 15.950 ( 0.000 -0.699 0.000) 0.699 16.011 ( 0.000 -3.239 0.000) 3.239 17.069 ( 0.000 0.960 0.000) 0.960 17.140 ( 0.000 0.053 0.000) 0.053 19.139 ( 0.000 1.997 0.000) 1.997 19.379 ( 0.000 -1.846 0.000) 1.846 21.002 ( 0.000 1.185 0.000) 1.185 21.123 ( 0.000 -0.583 0.000) 0.583 21.399 ( 0.000 2.019 0.000) 2.019 21.627 ( 0.000 -1.719 0.000) 1.719 23.104 ( 0.000 1.108 0.000) 1.108 23.155 ( 0.000 0.549 0.000) 0.549 26.402 ( 0.000 -0.124 0.000) 0.124 26.407 ( 0.000 -0.189 0.000) 0.189 29.357 ( 0.000 5.636 0.000) 5.636 30.180 ( 0.000 -6.680 0.000) 6.680 30.181 ( 0.000 2.789 0.000) 2.789 30.604 ( 0.000 -3.732 0.000) 3.732 31.096 ( 0.000 1.980 0.000) 1.980 31.272 ( 0.000 -1.892 0.000) 1.892 31.485 ( 0.000 1.714 0.000) 1.714 31.746 ( 0.000 -1.159 0.000) 1.159 32.504 ( 0.000 0.566 0.000) 0.566 32.587 ( 0.000 -0.268 0.000) 0.268 32.670 ( 0.000 -0.210 0.000) 0.210 32.688 ( 0.000 -1.440 0.000) 1.440 33.932 ( 0.000 2.267 0.000) 2.267 34.215 ( 0.000 -1.438 0.000) 1.438 35.213 ( 0.000 4.571 0.000) 4.571 35.495 ( 0.000 4.663 0.000) 4.663 35.748 ( 0.000 -3.571 0.000) 3.571 35.905 ( 0.000 5.428 0.000) 5.428 36.132 ( 0.000 -5.122 0.000) 5.122 36.465 ( 0.000 -2.991 0.000) 2.991 38.173 ( 0.000 2.272 0.000) 2.272 38.600 ( 0.000 -4.112 0.000) 4.112 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.14 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 30.494 5.696 17.707) 35.719 1.025 ( 22.536 22.114 -0.429) 31.576 1.402 ( 28.809 28.535 -11.538) 42.159 1.771 ( -4.958 -1.541 1.058) 5.298 1.926 ( -1.647 3.073 -2.207) 4.126 2.225 ( -1.616 4.637 -2.697) 5.602 2.325 ( 1.766 -6.804 1.945) 7.294 2.610 ( -5.641 3.730 0.679) 6.797 2.740 ( 3.703 1.335 -3.784) 5.460 2.831 ( -0.404 4.090 2.917) 5.040 3.087 ( 1.997 -1.265 -4.541) 5.119 3.219 ( -0.825 5.546 7.495) 9.360 3.434 ( 0.086 2.012 -2.536) 3.239 3.558 ( 5.390 3.276 -3.869) 7.400 3.827 ( -0.510 -5.548 4.618) 7.237 4.070 ( -6.358 -1.274 -1.039) 6.567 4.233 ( -1.173 2.643 1.451) 3.235 4.347 ( 1.713 0.102 -2.493) 3.026 4.566 ( -7.032 0.586 -4.599) 8.423 4.689 ( -3.781 2.715 -1.642) 4.935 4.852 ( 2.872 0.005 1.924) 3.457 4.931 ( 3.909 -5.016 -0.175) 6.362 5.054 ( -2.643 1.510 -0.005) 3.044 5.118 ( -1.130 -3.373 -0.180) 3.561 5.254 ( 5.222 0.229 4.542) 6.925 5.425 ( -1.338 -0.315 -2.712) 3.041 5.580 ( -8.947 5.990 4.585) 11.702 5.734 ( -7.973 6.226 2.782) 10.492 5.871 ( -3.079 -1.310 4.459) 5.575 6.064 ( 1.410 5.131 -1.696) 5.585 6.084 ( -2.989 5.373 1.386) 6.303 6.189 ( 0.976 5.803 4.279) 7.276 6.351 ( -2.729 -1.590 -3.088) 4.417 6.534 ( 0.505 -4.948 -0.262) 4.981 6.901 ( -0.310 3.414 1.420) 3.711 7.049 ( 9.517 1.481 -7.984) 12.510 7.385 ( 3.197 4.187 -0.590) 5.301 7.487 ( -13.640 6.958 -5.015) 16.113 7.742 ( -1.904 1.862 -2.992) 4.006 7.956 ( -11.851 -1.159 4.250) 12.643 8.165 ( 2.253 -1.970 3.198) 4.380 8.405 ( 8.754 -4.043 -1.625) 9.779 8.939 ( -0.996 1.206 1.117) 1.922 9.151 ( -1.193 0.267 2.435) 2.725 9.488 ( -4.612 -0.894 -3.366) 5.779 9.573 ( -0.331 -4.127 -1.169) 4.302 9.706 ( 0.075 -5.872 2.253) 6.290 9.799 ( 4.281 -0.556 -3.308) 5.439 10.121 ( 1.103 -4.321 1.371) 4.666 10.239 ( -0.254 -1.563 -0.748) 1.751 10.518 ( 2.208 1.254 -1.389) 2.894 10.715 ( 0.344 -4.771 3.013) 5.653 11.335 ( -12.040 -1.270 0.403) 12.114 11.366 ( -8.399 -1.143 0.496) 8.491 11.530 ( -4.296 0.093 -1.322) 4.495 11.671 ( -0.642 -0.849 2.155) 2.403 12.303 ( 13.139 0.494 -1.078) 13.192 12.420 ( 9.737 -2.765 -1.377) 10.215 13.024 ( -2.441 0.069 -0.480) 2.489 13.125 ( 3.763 -3.333 1.082) 5.142 13.547 ( 2.905 1.705 0.496) 3.405 13.778 ( 6.965 -5.908 -0.526) 9.148 14.006 ( -1.769 -1.987 -2.358) 3.555 14.116 ( -0.285 -4.827 3.894) 6.209 14.502 ( -2.467 1.533 -2.093) 3.580 14.606 ( -1.807 -1.823 -6.071) 6.592 15.156 ( -1.178 -0.438 10.432) 10.508 15.335 ( 3.457 -0.572 2.301) 4.192 15.435 ( 1.604 1.932 -5.682) 6.212 15.609 ( -1.763 0.763 -2.200) 2.920 15.720 ( 8.718 -11.357 -2.368) 14.512 15.822 ( -2.989 -0.129 -4.588) 5.477 15.982 ( 10.682 -1.523 2.077) 10.988 16.158 ( 9.184 -4.363 5.700) 11.656 17.032 ( -3.182 1.492 0.469) 3.545 17.136 ( -1.534 -0.802 0.713) 1.872 19.159 ( 2.627 2.579 -0.001) 3.681 19.409 ( 1.910 -2.043 1.984) 3.429 20.961 ( -3.041 0.805 -0.023) 3.146 21.078 ( -3.564 -0.569 -0.584) 3.656 21.416 ( 5.789 4.893 -0.841) 7.626 21.737 ( 6.018 -2.210 -0.975) 6.485 22.977 ( -6.163 3.876 -0.650) 7.310 23.142 ( -4.657 -0.759 -0.979) 4.819 26.498 ( 9.996 0.410 -0.421) 10.013 27.126 ( 40.113 -36.103 10.420) 54.964 29.182 ( -17.168 4.294 -2.768) 17.912 29.523 ( -31.373 5.223 -4.515) 32.123 30.535 ( 13.842 5.374 2.340) 15.032 30.717 ( 9.525 -2.872 -0.192) 9.950 31.169 ( 5.762 -0.047 -2.021) 6.107 31.306 ( 3.871 -0.660 -0.860) 4.020 31.435 ( -0.768 3.297 -2.201) 4.038 31.930 ( 4.679 -11.838 7.291) 14.669 32.323 ( -9.414 -1.584 0.877) 9.586 32.395 ( -12.518 -1.049 -0.112) 12.562 32.834 ( 13.047 0.168 1.023) 13.088 32.944 ( 13.772 -1.043 -1.338) 13.876 33.892 ( -3.979 2.089 0.211) 4.499 34.155 ( -5.393 -0.745 0.135) 5.446 35.235 ( 2.285 4.525 -0.989) 5.165 35.453 ( -1.792 4.215 2.073) 5.027 35.824 ( 2.614 -1.150 -4.131) 5.022 35.974 ( 5.971 -1.484 -8.838) 10.769 36.154 ( 2.031 -4.270 3.827) 6.083 36.478 ( 0.647 0.481 -3.748) 3.834 37.797 ( -19.603 19.296 2.104) 27.587 38.542 ( -6.714 -5.005 0.534) 8.391 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.29 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.784 -2.140 4.228) 11.780 1.395 ( 16.257 11.962 1.388) 20.231 1.683 ( 0.280 -4.583 0.953) 4.689 1.948 ( 8.652 6.950 0.832) 11.129 2.036 ( 19.135 6.457 -9.901) 22.491 2.282 ( 2.385 4.595 6.891) 8.619 2.368 ( 5.892 -4.761 1.882) 7.805 2.589 ( 3.017 12.292 -3.049) 13.019 2.722 ( 1.347 4.316 3.728) 5.861 2.929 ( 8.981 -0.784 -4.324) 9.999 3.079 ( 0.878 7.349 -4.044) 8.434 3.217 ( -1.143 2.906 4.678) 5.625 3.383 ( -2.554 7.460 -4.734) 9.197 3.692 ( 7.482 -3.098 -5.518) 9.799 3.874 ( -0.839 -6.228 0.058) 6.285 3.964 ( -0.340 -1.940 3.555) 4.064 4.182 ( -4.875 8.435 3.059) 10.212 4.334 ( -4.545 1.523 -1.535) 5.033 4.417 ( -5.094 -0.064 -1.344) 5.269 4.623 ( -3.684 -0.061 -3.653) 5.189 4.844 ( -3.955 -0.766 2.861) 4.941 4.932 ( -3.174 -6.169 -4.270) 8.146 5.023 ( -0.840 -5.774 2.706) 6.432 5.111 ( -0.491 0.502 -3.167) 3.244 5.322 ( 1.765 -3.878 7.351) 8.497 5.390 ( -2.208 6.882 4.928) 8.748 5.508 ( -2.075 2.218 -0.106) 3.039 5.616 ( -0.098 4.877 -0.686) 4.926 5.741 ( -9.906 2.512 -0.547) 10.235 5.954 ( -5.096 6.891 -0.999) 8.628 6.125 ( 2.863 3.472 1.198) 4.658 6.217 ( 0.057 0.794 5.385) 5.443 6.354 ( 2.663 1.049 -0.831) 2.981 6.523 ( -1.390 -2.758 3.727) 4.840 6.952 ( 4.915 3.270 -1.601) 6.117 7.106 ( -0.427 4.861 -0.899) 4.962 7.350 ( -1.115 -1.981 -6.911) 7.275 7.512 ( 2.026 -1.163 -0.554) 2.401 7.683 ( -5.107 2.709 -2.650) 6.360 7.728 ( -6.739 2.241 3.302) 7.832 8.224 ( 3.453 -0.058 0.085) 3.455 8.580 ( 8.515 -6.414 -1.315) 10.741 8.907 ( -1.776 2.001 1.155) 2.914 9.146 ( 0.074 -0.809 2.895) 3.007 9.430 ( -1.085 -0.206 -1.914) 2.209 9.563 ( -0.636 -4.267 -1.778) 4.667 9.685 ( -1.266 -5.103 2.956) 6.032 9.907 ( 3.851 -5.272 -4.118) 7.719 10.076 ( -1.953 0.449 0.443) 2.053 10.303 ( 4.893 -2.865 -2.693) 6.277 10.556 ( 0.744 1.463 -1.520) 2.237 10.699 ( -1.586 -3.235 4.785) 5.989 11.036 ( -14.145 -0.740 2.754) 14.430 11.183 ( -10.394 -2.334 -1.770) 10.799 11.501 ( 0.526 0.903 -0.686) 1.250 11.641 ( -1.915 0.090 1.644) 2.525 12.550 ( 10.433 0.640 -1.379) 10.543 12.598 ( 8.076 -0.321 0.039) 8.082 12.980 ( -1.565 0.627 -0.086) 1.688 13.180 ( 1.720 -3.571 0.684) 4.022 13.633 ( 5.598 2.198 0.373) 6.026 13.829 ( 0.656 -1.828 -1.148) 2.256 13.940 ( -4.471 -1.606 -0.139) 4.752 14.103 ( -2.215 -3.009 1.663) 4.090 14.429 ( -4.444 0.172 -1.873) 4.826 14.594 ( 1.908 -3.649 -3.965) 5.717 15.083 ( -4.939 0.661 8.574) 9.917 15.309 ( -4.744 -1.693 -4.315) 6.633 15.547 ( 5.927 2.155 -3.443) 7.185 15.602 ( 1.940 0.051 -1.586) 2.507 15.706 ( -1.954 -2.348 -0.050) 3.055 15.849 ( 1.350 -3.097 -0.545) 3.422 16.221 ( 10.938 -2.109 2.252) 11.365 16.323 ( 7.011 -4.041 1.383) 8.209 16.954 ( -4.529 1.688 0.418) 4.851 17.080 ( -3.706 -0.683 0.978) 3.894 19.234 ( 4.411 2.133 -0.476) 4.923 19.439 ( 0.927 -0.939 1.404) 1.927 20.906 ( -2.360 0.211 0.777) 2.494 21.016 ( -2.616 -0.943 -0.878) 2.917 21.587 ( 10.257 3.419 -0.831) 10.844 21.836 ( 4.139 -0.119 -0.852) 4.227 22.871 ( -4.899 2.041 -1.592) 5.541 23.008 ( -7.884 0.106 0.928) 7.939 26.762 ( 15.868 1.738 -0.533) 15.972 27.663 ( 16.819 -24.941 8.620) 31.293 28.726 ( -25.538 4.758 -0.648) 25.985 29.067 ( -16.450 0.035 -5.862) 17.463 30.800 ( 12.508 2.355 1.300) 12.795 30.901 ( 8.069 -2.268 -0.552) 8.400 31.301 ( 6.969 -0.591 -0.914) 7.054 31.406 ( 5.051 -0.319 -2.352) 5.581 31.460 ( 4.229 3.004 -1.206) 5.325 31.881 ( -6.514 -4.084 3.768) 8.562 32.136 ( -10.515 -1.039 3.432) 11.109 32.185 ( -8.962 -4.105 -1.500) 9.971 33.084 ( 12.051 0.502 0.154) 12.062 33.210 ( 13.030 -1.080 -0.475) 13.083 33.783 ( -6.762 1.766 0.328) 6.997 34.018 ( -8.295 -0.868 0.048) 8.340 35.294 ( 3.421 4.056 -1.796) 5.602 35.435 ( -0.563 2.876 2.099) 3.604 35.850 ( 0.883 2.148 -1.992) 3.060 36.053 ( 2.365 -2.716 -6.675) 7.585 36.206 ( 2.721 -1.115 6.449) 7.088 36.457 ( -2.521 6.319 -7.668) 10.251 37.626 ( 0.308 6.949 4.371) 8.216 38.357 ( -11.285 -5.462 -0.141) 12.538 ======================= Grid point 10 (8/88) ======================= q-point: ( 0.43 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 2.045 -7.229 -0.098) 7.513 1.618 ( 4.363 -6.372 -0.125) 7.724 1.717 ( 7.616 9.875 -2.413) 12.702 1.957 ( -9.004 5.841 3.606) 11.322 2.220 ( -0.629 2.943 6.822) 7.456 2.252 ( -5.750 4.922 -2.886) 8.100 2.474 ( 14.988 3.187 -4.773) 16.049 2.844 ( 11.748 8.991 7.210) 16.457 2.868 ( 5.482 11.878 -2.665) 13.351 3.059 ( -0.582 5.373 5.858) 7.971 3.125 ( 4.219 -4.913 -3.204) 7.226 3.231 ( -1.391 2.883 -3.453) 4.709 3.398 ( 11.825 5.133 -3.985) 13.493 3.670 ( -9.933 1.677 -7.685) 12.671 3.904 ( 2.793 -9.736 4.128) 10.937 3.981 ( -1.384 0.548 0.652) 1.625 4.121 ( 0.871 9.675 1.070) 9.773 4.208 ( -1.483 -2.031 1.723) 3.049 4.403 ( -0.099 -1.942 -1.420) 2.407 4.450 ( -11.327 -1.663 -2.374) 11.692 4.797 ( 0.518 0.455 -0.192) 0.716 4.889 ( -1.099 -6.072 0.686) 6.209 5.009 ( -0.374 -5.772 4.646) 7.419 5.057 ( -4.134 -0.147 -4.378) 6.023 5.291 ( -1.447 -1.321 1.175) 2.285 5.370 ( -7.775 6.792 2.512) 10.625 5.465 ( 5.535 4.517 2.754) 7.657 5.611 ( -1.559 6.127 -1.669) 6.539 5.645 ( -1.603 2.872 -2.009) 3.854 5.922 ( 1.160 1.609 0.037) 1.984 6.182 ( 2.485 1.806 -1.560) 3.446 6.211 ( -0.759 1.049 4.404) 4.590 6.417 ( 3.613 1.628 -2.126) 4.498 6.486 ( -2.947 0.196 4.269) 5.191 7.042 ( 3.702 2.724 -1.137) 4.734 7.104 ( -0.520 3.489 1.637) 3.889 7.341 ( 0.748 -2.236 -5.468) 5.955 7.414 ( -6.471 -3.720 1.672) 7.649 7.574 ( -3.241 1.848 -0.999) 3.863 7.741 ( 1.888 3.828 0.747) 4.333 8.287 ( 2.253 0.387 -0.578) 2.358 8.703 ( 3.232 -6.698 -0.950) 7.497 8.884 ( -0.391 0.561 1.108) 1.302 9.149 ( 0.055 -0.855 0.807) 1.177 9.433 ( 0.762 -0.120 -0.428) 0.882 9.551 ( -0.314 -4.408 -0.763) 4.484 9.687 ( 1.469 -2.376 2.286) 3.609 9.843 ( -5.809 -5.877 -1.540) 8.406 10.183 ( 9.019 -0.354 -1.245) 9.111 10.361 ( -0.772 -4.211 -3.467) 5.509 10.514 ( -3.512 1.685 0.235) 3.903 10.663 ( -1.947 -0.423 2.840) 3.469 10.875 ( -1.624 -2.006 3.586) 4.418 11.005 ( -6.401 -2.776 -2.293) 7.344 11.521 ( 0.980 0.842 -0.398) 1.352 11.610 ( -1.060 0.587 0.693) 1.396 12.679 ( 3.008 1.462 -0.225) 3.352 12.717 ( 3.161 0.342 -0.370) 3.201 12.970 ( 0.319 0.703 0.171) 0.791 13.200 ( 0.464 -2.836 0.271) 2.886 13.740 ( 4.320 0.175 -0.260) 4.332 13.834 ( -2.001 -2.325 -0.333) 3.085 13.880 ( 1.075 1.208 1.480) 2.192 14.023 ( -4.658 0.634 -1.301) 4.877 14.350 ( -2.670 -0.679 -0.509) 2.801 14.654 ( 2.545 -3.217 -1.183) 4.269 15.050 ( 2.454 -1.196 6.935) 7.453 15.172 ( -7.842 -2.246 -5.839) 10.032 15.592 ( 0.312 1.447 -0.386) 1.529 15.636 ( 0.512 -0.033 -0.495) 0.713 15.754 ( 5.201 -1.886 -3.910) 6.775 15.839 ( -2.501 -2.298 3.906) 5.176 16.382 ( 4.776 -0.599 0.147) 4.815 16.429 ( 3.231 -2.013 0.183) 3.811 16.874 ( -2.797 1.802 0.349) 3.345 17.015 ( -2.191 -0.941 0.390) 2.416 19.308 ( 2.491 1.737 -0.392) 3.062 19.445 ( -0.195 -0.059 0.614) 0.647 20.874 ( -0.806 0.188 0.428) 0.932 20.977 ( -1.079 -1.189 -0.399) 1.655 21.773 ( 7.356 1.981 -0.647) 7.645 21.881 ( -0.104 0.669 0.053) 0.679 22.790 ( -2.625 1.794 -1.414) 3.480 22.880 ( -3.957 0.497 1.212) 4.168 27.053 ( 10.695 2.774 -0.224) 11.051 27.873 ( 4.765 -13.144 3.329) 14.372 28.313 ( -13.078 3.531 0.303) 13.550 28.830 ( -6.769 -4.774 -2.960) 8.796 30.990 ( 5.670 -1.678 0.151) 5.915 31.013 ( 3.056 -2.289 0.064) 3.819 31.374 ( 0.781 0.590 -0.101) 0.984 31.507 ( 4.306 -0.741 -2.734) 5.154 31.586 ( 6.170 2.319 0.582) 6.617 31.778 ( -2.579 -1.093 1.007) 2.977 31.956 ( -6.456 0.182 1.503) 6.631 32.016 ( -6.949 -3.148 -0.073) 7.630 33.289 ( 7.571 0.472 -0.115) 7.586 33.430 ( 7.701 -1.091 -0.321) 7.785 33.654 ( -4.919 1.228 0.342) 5.082 33.852 ( -7.126 -0.760 0.060) 7.167 35.351 ( 2.025 3.304 -1.482) 4.149 35.425 ( -0.546 2.602 1.554) 3.080 35.863 ( 0.421 2.994 -0.789) 3.125 36.075 ( 0.408 -0.736 -2.085) 2.248 36.260 ( 2.092 3.664 5.740) 7.123 36.394 ( -2.612 4.639 -6.219) 8.187 37.715 ( 5.638 -0.741 2.340) 6.149 38.143 ( -8.480 -5.886 -0.627) 10.342 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 24.125 0.000) 24.125 1.243 ( 0.000 25.827 0.000) 25.827 1.624 ( 0.000 -3.970 0.000) 3.970 1.833 ( 0.000 2.160 0.000) 2.160 1.953 ( 0.000 -12.472 0.000) 12.472 2.113 ( 0.000 1.711 0.000) 1.711 2.460 ( 0.000 10.128 0.000) 10.128 2.657 ( 0.000 6.278 0.000) 6.278 2.806 ( 0.000 -4.688 0.000) 4.688 2.844 ( 0.000 2.895 0.000) 2.895 3.070 ( 0.000 9.793 0.000) 9.793 3.296 ( 0.000 4.188 0.000) 4.188 3.447 ( 0.000 -0.611 0.000) 0.611 3.607 ( 0.000 11.518 0.000) 11.518 3.994 ( 0.000 0.492 0.000) 0.492 4.011 ( 0.000 -7.640 0.000) 7.640 4.253 ( 0.000 0.632 0.000) 0.632 4.275 ( 0.000 1.401 0.000) 1.401 4.655 ( 0.000 -5.983 0.000) 5.983 4.661 ( 0.000 -4.699 0.000) 4.699 4.813 ( 0.000 1.245 0.000) 1.245 4.854 ( 0.000 3.261 0.000) 3.261 4.986 ( 0.000 -6.043 0.000) 6.043 5.156 ( 0.000 -9.471 0.000) 9.471 5.318 ( 0.000 9.392 0.000) 9.392 5.432 ( 0.000 4.610 0.000) 4.610 5.805 ( 0.000 5.129 0.000) 5.129 5.881 ( 0.000 5.955 0.000) 5.955 6.007 ( 0.000 2.000 0.000) 2.000 6.095 ( 0.000 5.565 0.000) 5.565 6.161 ( 0.000 4.946 0.000) 4.946 6.315 ( 0.000 -4.631 0.000) 4.631 6.329 ( 0.000 1.923 0.000) 1.923 6.424 ( 0.000 -6.369 0.000) 6.369 6.914 ( 0.000 3.310 0.000) 3.310 6.957 ( 0.000 0.318 0.000) 0.318 7.474 ( 0.000 8.222 0.000) 8.222 7.768 ( 0.000 -0.873 0.000) 0.873 7.853 ( 0.000 -3.167 0.000) 3.167 7.955 ( 0.000 -5.620 0.000) 5.620 8.077 ( 0.000 -1.764 0.000) 1.764 8.217 ( 0.000 -4.554 0.000) 4.554 8.949 ( 0.000 3.441 0.000) 3.441 9.176 ( 0.000 -2.144 0.000) 2.144 9.446 ( 0.000 -6.389 0.000) 6.389 9.494 ( 0.000 -5.963 0.000) 5.963 9.707 ( 0.000 -0.366 0.000) 0.366 9.716 ( 0.000 1.302 0.000) 1.302 10.000 ( 0.000 -2.396 0.000) 2.396 10.166 ( 0.000 -6.725 0.000) 6.725 10.525 ( 0.000 1.312 0.000) 1.312 10.594 ( 0.000 -2.971 0.000) 2.971 11.381 ( 0.000 -0.445 0.000) 0.445 11.436 ( 0.000 -3.198 0.000) 3.198 11.603 ( 0.000 -0.097 0.000) 0.097 11.634 ( 0.000 -1.435 0.000) 1.435 12.180 ( 0.000 1.953 0.000) 1.953 12.249 ( 0.000 -1.142 0.000) 1.142 13.054 ( 0.000 0.443 0.000) 0.443 13.064 ( 0.000 -0.319 0.000) 0.319 13.559 ( 0.000 1.672 0.000) 1.672 13.589 ( 0.000 0.605 0.000) 0.605 14.027 ( 0.000 0.369 0.000) 0.369 14.078 ( 0.000 -1.814 0.000) 1.814 14.574 ( 0.000 2.519 0.000) 2.519 14.630 ( 0.000 0.047 0.000) 0.047 15.149 ( 0.000 0.842 0.000) 0.842 15.212 ( 0.000 -1.619 0.000) 1.619 15.458 ( 0.000 3.344 0.000) 3.344 15.543 ( 0.000 -1.427 0.000) 1.427 15.691 ( 0.000 4.025 0.000) 4.025 15.871 ( 0.000 0.719 0.000) 0.719 15.923 ( 0.000 -4.751 0.000) 4.751 15.932 ( 0.000 -1.039 0.000) 1.039 17.094 ( 0.000 1.437 0.000) 1.437 17.137 ( 0.000 -0.421 0.000) 0.421 19.193 ( 0.000 3.210 0.000) 3.210 19.329 ( 0.000 -3.063 0.000) 3.063 21.033 ( 0.000 1.854 0.000) 1.854 21.104 ( 0.000 -1.305 0.000) 1.305 21.453 ( 0.000 3.151 0.000) 3.151 21.580 ( 0.000 -2.781 0.000) 2.781 23.132 ( 0.000 1.468 0.000) 1.468 23.163 ( 0.000 0.145 0.000) 0.145 26.399 ( 0.000 -0.085 0.000) 0.085 26.402 ( 0.000 -0.222 0.000) 0.222 29.518 ( 0.000 10.135 0.000) 10.135 29.994 ( 0.000 -11.355 0.000) 11.355 30.261 ( 0.000 5.044 0.000) 5.044 30.503 ( 0.000 -6.000 0.000) 6.000 31.145 ( 0.000 2.627 0.000) 2.627 31.232 ( 0.000 -1.923 0.000) 1.923 31.537 ( 0.000 3.448 0.000) 3.448 31.700 ( 0.000 -3.393 0.000) 3.393 32.521 ( 0.000 1.164 0.000) 1.164 32.576 ( 0.000 -1.005 0.000) 1.005 32.661 ( 0.000 -0.902 0.000) 0.902 32.663 ( 0.000 -0.427 0.000) 0.427 33.997 ( 0.000 4.058 0.000) 4.058 34.167 ( 0.000 -3.326 0.000) 3.326 35.337 ( 0.000 7.486 0.000) 7.486 35.626 ( 0.000 8.120 0.000) 8.120 35.645 ( 0.000 -6.484 0.000) 6.484 35.992 ( 0.000 -8.498 0.000) 8.498 36.050 ( 0.000 8.477 0.000) 8.477 36.373 ( 0.000 -6.143 0.000) 6.143 38.243 ( 0.000 4.654 0.000) 4.654 38.490 ( 0.000 -6.491 0.000) 6.491 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.14 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 14.376 12.909 10.950) 22.209 1.406 ( 8.198 12.644 1.954) 15.195 1.621 ( 3.982 -0.754 -7.766) 8.760 1.846 ( 3.396 1.269 -5.926) 6.947 2.045 ( 8.799 -8.405 4.102) 12.840 2.116 ( 3.434 6.080 4.458) 8.284 2.435 ( -3.948 11.085 0.813) 11.795 2.627 ( -2.735 -0.438 -2.908) 4.016 2.743 ( 2.462 1.960 -1.011) 3.305 2.973 ( 5.521 4.447 -0.804) 7.135 3.135 ( 5.663 6.504 -4.068) 9.536 3.343 ( -0.026 3.489 6.143) 7.064 3.462 ( 4.655 4.831 -4.691) 8.186 3.650 ( 2.120 4.482 -1.702) 5.242 3.798 ( -5.570 2.867 3.875) 7.366 4.078 ( -5.051 2.187 -0.702) 5.549 4.229 ( -0.999 -3.812 -1.460) 4.202 4.344 ( 6.597 0.128 0.938) 6.665 4.552 ( -5.785 -2.497 -6.071) 8.750 4.727 ( 0.807 -2.270 0.918) 2.578 4.793 ( -1.359 -1.590 1.642) 2.659 4.871 ( 0.473 -1.472 2.890) 3.278 4.988 ( -2.047 -4.402 1.209) 5.003 5.071 ( -3.848 -5.512 -2.914) 7.327 5.300 ( -1.139 4.666 -0.345) 4.815 5.459 ( 1.731 2.678 3.565) 4.783 5.667 ( -9.061 3.943 -0.141) 9.883 5.820 ( -10.809 0.430 7.214) 13.002 5.949 ( -1.714 10.932 1.229) 11.133 6.109 ( 2.424 1.049 1.102) 2.862 6.203 ( -0.886 3.265 -0.124) 3.385 6.245 ( -1.876 -0.658 3.579) 4.094 6.349 ( 0.218 2.669 -1.140) 2.910 6.443 ( 1.992 -4.933 -6.023) 8.036 6.972 ( 2.768 3.439 0.355) 4.428 7.067 ( 10.153 -0.145 -5.912) 11.749 7.474 ( -1.103 4.384 -0.349) 4.534 7.566 ( -15.010 1.255 -3.021) 15.363 7.785 ( -1.614 2.337 -1.849) 3.389 7.910 ( -7.256 -2.965 3.921) 8.765 8.125 ( 4.585 -1.150 2.899) 5.545 8.287 ( 5.639 -7.214 -0.354) 9.163 8.978 ( 1.548 3.500 0.795) 3.909 9.155 ( -1.832 -0.518 1.850) 2.655 9.421 ( -1.202 -5.916 -2.126) 6.400 9.456 ( -2.893 -6.110 0.983) 6.832 9.642 ( -2.284 0.585 0.014) 2.358 9.767 ( 1.631 -2.843 -3.684) 4.930 10.053 ( 3.930 -1.272 0.257) 4.139 10.176 ( 1.054 -4.626 -0.611) 4.784 10.540 ( 1.715 1.019 -0.045) 1.995 10.621 ( 1.323 -3.877 1.380) 4.323 11.309 ( -10.921 -1.020 -0.100) 10.969 11.333 ( -8.925 -1.867 0.122) 9.119 11.540 ( -2.690 1.086 -0.235) 2.911 11.631 ( 0.469 -2.780 1.687) 3.285 12.321 ( 12.126 1.211 -0.756) 12.210 12.376 ( 10.609 -1.590 -0.386) 10.735 13.028 ( -1.750 0.474 -0.205) 1.825 13.073 ( 0.843 -1.813 0.487) 2.058 13.592 ( 3.841 2.650 0.766) 4.729 13.694 ( 7.196 -2.708 0.786) 7.729 13.983 ( -3.440 -0.116 -1.024) 3.591 14.047 ( -2.701 -2.711 1.905) 4.274 14.535 ( -3.534 1.672 -3.983) 5.580 14.585 ( -3.689 -0.715 -5.337) 6.527 15.171 ( 0.282 1.920 5.955) 6.263 15.293 ( 2.844 -3.032 1.617) 4.461 15.490 ( 2.872 2.663 -2.482) 4.637 15.575 ( 4.766 -3.265 -0.890) 5.845 15.656 ( -1.699 3.066 -1.167) 3.694 15.808 ( -3.750 -1.912 -3.219) 5.299 15.986 ( 8.683 0.965 2.127) 8.992 16.075 ( 8.559 -3.726 4.417) 10.327 17.063 ( -2.908 1.656 0.774) 3.435 17.120 ( -2.020 -0.962 0.667) 2.334 19.220 ( 2.689 3.388 0.454) 4.349 19.357 ( 2.452 -3.021 1.383) 4.129 20.987 ( -3.660 1.699 -0.629) 4.084 21.057 ( -3.702 -1.419 -0.646) 4.017 21.511 ( 6.239 4.631 -1.026) 7.837 21.679 ( 7.435 -3.447 -0.775) 8.231 23.048 ( -6.302 3.096 -0.469) 7.037 23.127 ( -4.571 -0.929 -0.108) 4.665 26.517 ( 11.931 1.662 -0.122) 12.047 26.710 ( 25.597 -10.790 2.668) 27.906 29.297 ( -19.705 6.878 -1.812) 20.950 29.535 ( -28.630 -2.737 -1.973) 28.828 30.575 ( 16.024 0.227 1.637) 16.109 30.648 ( 11.495 -3.539 0.721) 12.049 31.193 ( 4.686 2.018 -0.413) 5.119 31.274 ( 4.117 -1.935 -0.122) 4.551 31.516 ( -0.625 4.663 -1.703) 5.004 31.751 ( 2.739 -6.994 2.426) 7.894 32.324 ( -11.099 0.954 -0.461) 11.149 32.374 ( -12.313 -1.155 0.328) 12.371 32.845 ( 13.180 0.971 0.308) 13.219 32.913 ( 13.683 -1.926 -0.979) 13.853 33.953 ( -4.325 3.853 0.205) 5.796 34.115 ( -5.044 -3.098 0.142) 5.922 35.357 ( 1.920 7.230 -1.147) 7.568 35.544 ( -3.100 3.156 2.501) 5.082 35.768 ( 6.418 -1.893 -5.976) 8.972 35.979 ( -0.280 -4.879 -3.226) 5.856 36.116 ( 5.367 4.972 4.435) 8.556 36.414 ( 3.866 -5.770 1.052) 7.025 38.067 ( -14.602 9.953 -0.051) 17.672 38.412 ( -7.769 -7.611 0.079) 10.876 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 3.788 -0.827 7.568) 8.504 1.438 ( -0.601 -6.476 2.827) 7.092 1.773 ( 10.011 8.965 -0.205) 13.440 2.033 ( 7.095 -2.855 -1.534) 7.800 2.188 ( 9.465 9.078 -1.219) 13.171 2.330 ( 7.631 4.941 -2.518) 9.434 2.390 ( 6.232 3.865 2.830) 7.861 2.647 ( 7.652 -4.914 -3.040) 9.588 2.841 ( 6.352 6.827 2.551) 9.668 3.033 ( 1.506 7.455 -1.070) 7.681 3.224 ( 2.915 5.037 -3.795) 6.948 3.320 ( 0.220 3.612 2.454) 4.372 3.549 ( 0.908 4.395 -2.294) 5.040 3.689 ( 3.936 3.531 0.405) 5.303 3.813 ( 1.617 6.834 -1.988) 7.298 3.944 ( -2.785 2.551 1.929) 4.241 4.233 ( -0.377 -5.417 -2.558) 6.002 4.365 ( -6.564 0.629 0.456) 6.610 4.454 ( -4.543 3.588 -0.661) 5.827 4.640 ( -6.980 -0.503 -0.700) 7.033 4.759 ( -2.766 -4.345 -2.206) 5.603 4.830 ( -3.463 -4.006 0.362) 5.308 4.926 ( -1.708 -3.656 2.866) 4.950 5.090 ( 2.206 -3.446 -4.220) 5.878 5.285 ( -1.219 0.959 4.482) 4.742 5.445 ( -5.053 -3.249 0.852) 6.068 5.555 ( 0.943 4.752 2.035) 5.255 5.682 ( -2.158 0.214 0.819) 2.318 5.857 ( -6.538 9.667 -0.089) 11.671 6.051 ( -7.553 1.846 1.100) 7.853 6.197 ( 1.015 1.968 4.867) 5.347 6.253 ( 2.058 2.301 3.107) 4.380 6.385 ( 2.672 2.782 -0.422) 3.881 6.482 ( 1.798 -1.781 -0.718) 2.631 7.045 ( 4.392 5.568 -3.650) 7.976 7.189 ( 0.827 2.013 -4.431) 4.937 7.321 ( -4.845 0.068 -3.121) 5.764 7.462 ( -4.125 -3.839 0.730) 5.682 7.736 ( -6.892 2.519 1.323) 7.456 7.775 ( -1.104 1.897 1.959) 2.942 8.227 ( 5.115 0.682 0.395) 5.175 8.414 ( 6.858 -8.822 -0.100) 11.174 8.974 ( -1.897 4.511 0.812) 4.961 9.129 ( -0.665 -0.871 1.611) 1.948 9.399 ( -0.760 -3.310 0.616) 3.451 9.434 ( 0.614 -7.362 -1.437) 7.526 9.617 ( -0.312 -0.434 0.052) 0.537 9.776 ( -0.906 -6.758 -2.951) 7.430 10.101 ( 1.935 2.024 -1.559) 3.205 10.232 ( 3.949 -3.962 -1.955) 5.926 10.578 ( 1.105 0.598 0.867) 1.527 10.631 ( 0.048 -2.984 3.014) 4.241 11.031 ( -13.950 0.535 0.910) 13.990 11.122 ( -11.428 -3.380 -1.417) 12.001 11.532 ( 0.861 2.176 0.141) 2.344 11.629 ( -0.771 -1.503 1.510) 2.265 12.565 ( 11.046 0.767 -1.095) 11.127 12.590 ( 9.746 -0.497 -0.150) 9.759 12.998 ( -1.027 1.199 0.250) 1.598 13.098 ( 1.440 -3.974 0.528) 4.260 13.684 ( 4.407 2.650 0.198) 5.147 13.787 ( 1.728 -2.303 -0.661) 2.954 13.918 ( -2.565 0.199 0.159) 2.578 14.031 ( 1.415 -3.936 3.032) 5.166 14.438 ( -5.516 0.917 -3.869) 6.800 14.523 ( -1.431 -3.110 -5.098) 6.141 15.116 ( -5.042 2.693 4.883) 7.518 15.259 ( -5.268 -3.230 -1.432) 6.343 15.589 ( 3.659 1.099 0.787) 3.900 15.615 ( 3.314 1.216 -2.813) 4.514 15.659 ( -0.539 -0.748 0.238) 0.952 15.788 ( 1.115 -3.202 -0.766) 3.476 16.198 ( 11.335 -0.159 1.929) 11.499 16.251 ( 8.679 -2.831 1.364) 9.230 16.990 ( -4.257 1.895 0.833) 4.734 17.059 ( -3.883 -1.341 0.990) 4.226 19.289 ( 3.891 3.161 0.208) 5.017 19.408 ( 2.174 -2.201 1.279) 3.347 20.921 ( -2.734 1.277 -0.113) 3.020 20.989 ( -2.934 -1.652 -0.847) 3.472 21.669 ( 8.864 4.420 -0.989) 9.953 21.815 ( 5.821 -2.132 -0.931) 6.269 22.923 ( -5.887 2.870 -0.916) 6.614 23.003 ( -7.149 -0.746 0.566) 7.210 26.824 ( 17.874 4.614 -0.101) 18.461 27.223 ( 23.595 -17.391 3.259) 29.492 28.829 ( -25.468 5.533 -1.153) 26.088 29.033 ( -21.530 -3.361 -2.552) 21.939 30.826 ( 9.717 0.222 1.084) 9.779 30.855 ( 8.410 -1.900 0.077) 8.622 31.312 ( 6.546 1.369 0.138) 6.689 31.379 ( 5.934 -1.727 -0.514) 6.201 31.535 ( 2.910 4.214 -1.954) 5.481 31.761 ( -1.662 -6.773 2.595) 7.441 32.125 ( -9.306 0.288 0.463) 9.322 32.149 ( -10.268 -0.612 -0.926) 10.327 33.099 ( 12.279 1.113 -0.195) 12.331 33.176 ( 12.838 -2.154 -0.521) 13.028 33.836 ( -7.260 3.368 0.319) 8.010 33.981 ( -8.212 -2.812 0.158) 8.682 35.402 ( 2.440 6.227 -1.732) 6.909 35.506 ( -1.201 3.212 1.921) 3.931 35.861 ( 3.258 -0.758 -4.661) 5.738 35.985 ( 0.934 -4.837 -2.203) 5.396 36.242 ( 6.917 5.632 4.753) 10.107 36.496 ( 3.251 -2.463 -0.833) 4.163 37.804 ( -9.747 10.068 1.020) 14.050 38.209 ( -12.003 -8.972 -0.290) 14.989 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.031 -4.581 2.406) 5.174 1.419 ( -0.949 -9.712 0.679) 9.781 1.975 ( 7.002 5.717 -1.844) 9.226 2.047 ( -0.095 4.921 3.631) 6.116 2.261 ( -0.566 5.034 2.201) 5.524 2.428 ( -1.301 9.287 -1.356) 9.475 2.543 ( 7.899 5.178 -3.403) 10.039 2.891 ( 7.355 -5.693 1.400) 9.405 3.021 ( 13.820 5.420 -0.698) 14.861 3.105 ( 5.685 2.426 0.805) 6.233 3.243 ( 0.456 2.592 -1.621) 3.091 3.340 ( -4.511 12.826 -1.907) 13.729 3.529 ( 3.123 -0.998 1.908) 3.793 3.670 ( -5.826 -4.767 1.293) 7.638 3.837 ( 1.346 13.288 -0.553) 13.368 4.008 ( 1.486 2.757 -2.198) 3.826 4.148 ( -1.892 -2.103 -0.316) 2.847 4.250 ( -4.559 -1.630 1.389) 5.037 4.354 ( -2.842 -0.425 -0.653) 2.947 4.465 ( -8.409 3.946 -1.866) 9.474 4.730 ( 0.918 -7.233 2.463) 7.696 4.790 ( -3.090 -4.132 -3.344) 6.149 4.946 ( 4.801 -0.017 0.797) 4.867 5.062 ( -4.906 1.048 0.309) 5.026 5.245 ( -1.113 -1.373 -0.352) 1.802 5.415 ( 0.153 -6.601 -0.378) 6.614 5.558 ( -0.596 6.649 2.385) 7.089 5.689 ( 0.416 1.399 -0.406) 1.515 5.771 ( -1.570 8.247 -0.269) 8.399 5.943 ( -2.147 -0.042 0.230) 2.160 6.209 ( 0.102 2.441 3.268) 4.080 6.291 ( 1.059 4.460 0.828) 4.659 6.446 ( 3.221 1.430 0.284) 3.536 6.494 ( -0.890 -0.008 0.926) 1.285 7.114 ( 2.850 3.989 -2.226) 5.384 7.168 ( -1.162 2.378 -0.563) 2.706 7.297 ( 0.105 -1.741 -3.787) 4.169 7.344 ( -5.393 -3.264 2.115) 6.649 7.629 ( -3.023 3.833 0.407) 4.899 7.784 ( 0.580 -0.400 0.685) 0.983 8.306 ( 2.399 1.833 -0.233) 3.029 8.523 ( 3.257 -9.339 0.021) 9.890 8.935 ( -1.351 4.075 0.613) 4.337 9.120 ( -0.371 -2.385 0.128) 2.417 9.407 ( 0.949 -2.611 1.156) 3.009 9.445 ( 0.307 -5.182 -0.959) 5.279 9.637 ( 2.611 -1.708 0.399) 3.145 9.717 ( -4.432 -5.479 -1.436) 7.192 10.180 ( 5.864 0.258 -1.526) 6.065 10.271 ( -1.127 -4.221 -1.838) 4.740 10.553 ( -2.436 2.238 1.786) 3.759 10.647 ( 0.719 -1.522 1.424) 2.205 10.845 ( -3.746 -0.432 1.615) 4.102 10.934 ( -6.464 -3.877 -1.769) 7.742 11.551 ( 0.707 2.001 -0.010) 2.122 11.614 ( -0.530 -0.400 0.557) 0.866 12.711 ( 3.563 1.457 -0.439) 3.874 12.725 ( 3.557 0.448 -0.196) 3.590 12.993 ( 0.344 1.676 0.260) 1.730 13.124 ( 0.917 -4.369 0.234) 4.471 13.734 ( 1.360 -0.403 -0.470) 1.494 13.780 ( -1.915 -2.666 -0.380) 3.304 13.935 ( 3.788 3.967 1.656) 5.730 14.034 ( -1.971 0.111 0.138) 1.979 14.345 ( -2.974 0.707 -1.394) 3.360 14.542 ( 2.363 -7.404 -2.203) 8.078 15.043 ( -1.338 0.954 3.039) 3.455 15.129 ( -6.107 -2.141 -1.569) 6.659 15.617 ( 1.164 0.780 0.240) 1.422 15.640 ( -1.028 0.290 -0.877) 1.382 15.719 ( 4.811 -0.834 -2.175) 5.345 15.787 ( -1.779 -2.687 2.291) 3.954 16.373 ( 5.121 -0.252 0.737) 5.180 16.391 ( 4.548 -1.456 -0.308) 4.786 16.915 ( -2.663 2.147 0.451) 3.450 16.990 ( -2.408 -1.514 0.479) 2.885 19.353 ( 2.075 2.542 -0.054) 3.282 19.435 ( 0.562 -1.044 0.520) 1.295 20.885 ( -0.883 0.940 0.106) 1.294 20.947 ( -1.175 -1.761 -0.382) 2.151 21.822 ( 5.673 2.609 -0.525) 6.266 21.888 ( 1.179 -0.219 -0.237) 1.222 22.834 ( -2.624 2.275 -0.769) 3.557 22.886 ( -3.703 -0.093 0.675) 3.766 27.143 ( 11.525 6.414 0.036) 13.190 27.578 ( 10.683 -14.784 1.726) 18.321 28.408 ( -13.937 5.890 -0.317) 15.133 28.702 ( -10.391 -7.543 -1.599) 12.939 30.957 ( 3.232 -1.299 0.274) 3.494 30.970 ( 3.238 -1.738 -0.010) 3.675 31.403 ( 2.106 1.992 0.311) 2.916 31.481 ( 3.553 -1.641 -0.813) 3.997 31.624 ( 4.879 1.443 -0.872) 5.162 31.723 ( -1.469 -3.716 1.575) 4.295 31.967 ( -5.439 0.886 0.461) 5.530 31.985 ( -5.670 -0.166 -0.773) 5.725 33.305 ( 7.469 1.296 -0.245) 7.585 33.394 ( 7.926 -2.406 -0.269) 8.287 33.695 ( -5.712 2.804 0.279) 6.369 33.820 ( -6.689 -2.455 0.122) 7.127 35.440 ( 1.248 5.030 -1.197) 5.319 35.490 ( -0.508 3.254 1.194) 3.504 35.898 ( 0.888 0.376 -1.694) 1.950 36.002 ( 0.588 -5.231 -0.809) 5.326 36.383 ( 6.708 7.374 4.669) 11.008 36.500 ( -2.960 4.020 -3.461) 6.075 37.723 ( 0.498 2.214 1.217) 2.575 37.989 ( -8.431 -8.843 -0.611) 12.233 ======================= Grid point 21 (13/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 -21.471 0.000) 21.471 1.318 ( 0.000 21.471 0.000) 21.471 1.672 ( 0.000 -16.123 0.000) 16.123 1.672 ( 0.000 16.123 0.000) 16.123 1.960 ( 0.000 -10.901 0.000) 10.901 1.960 ( 0.000 10.901 0.000) 10.901 2.645 ( 0.000 -7.932 0.000) 7.932 2.645 ( 0.000 7.932 0.000) 7.932 2.847 ( 0.000 -3.087 0.000) 3.087 2.847 ( 0.000 3.087 0.000) 3.087 3.271 ( 0.000 -7.687 0.000) 7.687 3.271 ( 0.000 7.687 0.000) 7.687 3.630 ( 0.000 -13.674 0.000) 13.674 3.630 ( 0.000 13.674 0.000) 13.674 3.941 ( 0.000 -3.852 0.000) 3.852 3.941 ( 0.000 3.852 0.000) 3.852 4.267 ( 0.000 -1.569 0.000) 1.569 4.267 ( 0.000 1.569 0.000) 1.569 4.596 ( 0.000 -1.508 0.000) 1.508 4.596 ( 0.000 1.508 0.000) 1.508 4.888 ( 0.000 -3.577 0.000) 3.577 4.888 ( 0.000 3.577 0.000) 3.577 4.943 ( 0.000 -4.853 0.000) 4.853 4.943 ( 0.000 4.853 0.000) 4.853 5.457 ( 0.000 -3.483 0.000) 3.483 5.457 ( 0.000 3.483 0.000) 3.483 5.923 ( 0.000 -2.578 0.000) 2.578 5.923 ( 0.000 2.578 0.000) 2.578 6.085 ( 0.000 -6.929 0.000) 6.929 6.085 ( 0.000 6.929 0.000) 6.929 6.257 ( 0.000 -2.089 0.000) 2.089 6.257 ( 0.000 2.089 0.000) 2.089 6.332 ( 0.000 -0.744 0.000) 0.744 6.332 ( 0.000 0.744 0.000) 0.744 6.953 ( 0.000 -0.823 0.000) 0.823 6.953 ( 0.000 0.823 0.000) 0.823 7.655 ( 0.000 -9.066 0.000) 9.066 7.655 ( 0.000 9.066 0.000) 9.066 7.854 ( 0.000 -3.591 0.000) 3.591 7.854 ( 0.000 3.591 0.000) 3.591 8.117 ( 0.000 -4.529 0.000) 4.529 8.117 ( 0.000 4.529 0.000) 4.529 9.070 ( 0.000 -7.477 0.000) 7.477 9.070 ( 0.000 7.477 0.000) 7.477 9.401 ( 0.000 -2.194 0.000) 2.194 9.401 ( 0.000 2.194 0.000) 2.194 9.718 ( 0.000 -0.890 0.000) 0.890 9.718 ( 0.000 0.890 0.000) 0.890 10.032 ( 0.000 -5.305 0.000) 5.305 10.032 ( 0.000 5.305 0.000) 5.305 10.552 ( 0.000 -1.497 0.000) 1.497 10.552 ( 0.000 1.497 0.000) 1.497 11.388 ( 0.000 -1.362 0.000) 1.362 11.388 ( 0.000 1.362 0.000) 1.362 11.610 ( 0.000 -0.817 0.000) 0.817 11.610 ( 0.000 0.817 0.000) 0.817 12.219 ( 0.000 -1.832 0.000) 1.832 12.219 ( 0.000 1.832 0.000) 1.832 13.060 ( 0.000 -0.186 0.000) 0.186 13.060 ( 0.000 0.186 0.000) 0.186 13.587 ( 0.000 -0.867 0.000) 0.867 13.587 ( 0.000 0.867 0.000) 0.867 14.045 ( 0.000 -1.389 0.000) 1.389 14.045 ( 0.000 1.389 0.000) 1.389 14.616 ( 0.000 -1.489 0.000) 1.489 14.616 ( 0.000 1.489 0.000) 1.489 15.177 ( 0.000 -1.756 0.000) 1.756 15.177 ( 0.000 1.756 0.000) 1.756 15.509 ( 0.000 -1.965 0.000) 1.965 15.509 ( 0.000 1.965 0.000) 1.965 15.794 ( 0.000 -5.858 0.000) 5.858 15.794 ( 0.000 5.858 0.000) 5.858 15.909 ( 0.000 -1.164 0.000) 1.164 15.909 ( 0.000 1.164 0.000) 1.164 17.121 ( 0.000 -1.148 0.000) 1.148 17.121 ( 0.000 1.148 0.000) 1.148 19.262 ( 0.000 -3.514 0.000) 3.514 19.262 ( 0.000 3.514 0.000) 3.514 21.072 ( 0.000 -1.855 0.000) 1.855 21.072 ( 0.000 1.855 0.000) 1.855 21.519 ( 0.000 -3.271 0.000) 3.271 21.519 ( 0.000 3.271 0.000) 3.271 23.156 ( 0.000 -0.860 0.000) 0.860 23.156 ( 0.000 0.860 0.000) 0.860 26.399 ( 0.000 -0.086 0.000) 0.086 26.399 ( 0.000 0.086 0.000) 0.086 29.749 ( 0.000 -12.412 0.000) 12.412 29.749 ( 0.000 12.412 0.000) 12.412 30.377 ( 0.000 -6.288 0.000) 6.288 30.377 ( 0.000 6.288 0.000) 6.288 31.193 ( 0.000 -2.119 0.000) 2.119 31.193 ( 0.000 2.119 0.000) 2.119 31.618 ( 0.000 -4.422 0.000) 4.422 31.618 ( 0.000 4.422 0.000) 4.422 32.549 ( 0.000 -1.492 0.000) 1.492 32.549 ( 0.000 1.492 0.000) 1.492 32.656 ( 0.000 -0.207 0.000) 0.207 32.656 ( 0.000 0.207 0.000) 0.207 34.086 ( 0.000 -4.520 0.000) 4.520 34.086 ( 0.000 4.520 0.000) 4.520 35.497 ( 0.000 -8.024 0.000) 8.024 35.497 ( 0.000 8.024 0.000) 8.024 35.807 ( 0.000 -9.516 0.000) 9.516 35.807 ( 0.000 9.516 0.000) 9.516 36.224 ( 0.000 -8.435 0.000) 8.435 36.224 ( 0.000 8.435 0.000) 8.435 38.356 ( 0.000 -6.460 0.000) 6.460 38.356 ( 0.000 6.460 0.000) 6.460 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.190 -13.667 3.923) 14.220 1.320 ( -0.190 13.667 3.923) 14.220 1.767 ( 7.213 -8.453 -5.105) 12.229 1.767 ( 7.213 8.453 -5.105) 12.229 2.035 ( 10.133 -8.506 2.057) 13.388 2.035 ( 10.133 8.506 2.057) 13.388 2.591 ( -4.706 -4.327 1.821) 6.647 2.591 ( -4.706 4.327 1.821) 6.647 2.903 ( 4.871 -9.362 -1.699) 10.689 2.903 ( 4.871 9.362 -1.699) 10.689 3.286 ( 1.022 -6.832 2.848) 7.472 3.286 ( 1.022 6.832 2.848) 7.472 3.647 ( 1.636 -7.071 -1.685) 7.451 3.647 ( 1.636 7.071 -1.685) 7.451 3.965 ( 2.188 -12.911 -5.609) 14.246 3.965 ( 2.188 12.911 -5.609) 14.246 4.264 ( -0.966 -7.147 1.755) 7.422 4.264 ( -0.966 7.147 1.755) 7.422 4.586 ( -0.466 -6.812 0.582) 6.852 4.586 ( -0.466 6.812 0.582) 6.852 4.867 ( -3.599 -6.831 4.680) 9.029 4.867 ( -3.599 6.831 4.680) 9.029 4.933 ( 0.259 -3.976 -4.514) 6.021 4.933 ( 0.259 3.976 -4.514) 6.021 5.421 ( -3.027 -5.525 -0.626) 6.331 5.421 ( -3.027 5.525 -0.626) 6.331 5.779 ( -10.285 -4.933 7.217) 13.498 5.779 ( -10.285 4.933 7.217) 13.498 6.127 ( 0.646 -2.912 1.948) 3.563 6.127 ( 0.646 2.912 1.948) 3.563 6.212 ( -2.424 -7.268 -2.309) 8.002 6.212 ( -2.424 7.268 -2.309) 8.002 6.378 ( 3.555 -1.729 -2.205) 4.527 6.378 ( 3.555 1.729 -2.205) 4.527 7.036 ( 6.774 -2.735 -2.716) 7.793 7.036 ( 6.774 2.735 -2.716) 7.793 7.548 ( -8.880 -2.715 -1.317) 9.378 7.548 ( -8.880 2.715 -1.317) 9.378 7.844 ( -2.002 -3.498 1.171) 4.197 7.844 ( -2.002 3.498 1.171) 4.197 8.157 ( 4.357 -4.642 1.158) 6.471 8.157 ( 4.357 4.642 1.158) 6.471 9.085 ( 0.881 -6.187 1.369) 6.398 9.085 ( 0.881 6.187 1.369) 6.398 9.365 ( -2.512 -1.900 -0.129) 3.152 9.365 ( -2.512 1.900 -0.129) 3.152 9.695 ( -1.734 -3.780 -1.909) 4.576 9.695 ( -1.734 3.780 -1.909) 4.576 10.082 ( 3.981 -3.783 -0.624) 5.527 10.082 ( 3.981 3.783 -0.624) 5.527 10.566 ( 1.206 -1.774 0.799) 2.289 10.566 ( 1.206 1.774 0.799) 2.289 11.304 ( -9.751 -0.684 -0.231) 9.778 11.304 ( -9.751 0.684 -0.231) 9.778 11.576 ( -0.690 -2.426 0.780) 2.640 11.576 ( -0.690 2.426 0.780) 2.640 12.348 ( 11.058 -1.389 -0.367) 11.151 12.348 ( 11.058 1.389 -0.367) 11.151 13.044 ( -1.028 -1.138 0.141) 1.540 13.044 ( -1.028 1.138 0.141) 1.540 13.645 ( 5.098 -2.501 0.891) 5.748 13.645 ( 5.098 2.501 0.891) 5.748 14.001 ( -3.683 -1.774 0.253) 4.096 14.001 ( -3.683 1.774 0.253) 4.096 14.566 ( -4.220 -1.322 -4.785) 6.516 14.566 ( -4.220 1.322 -4.785) 6.516 15.227 ( 1.681 -3.315 3.120) 4.853 15.227 ( 1.681 3.315 3.120) 4.853 15.531 ( 3.176 -1.678 -0.305) 3.605 15.531 ( 3.176 1.678 -0.305) 3.605 15.739 ( -3.102 -4.498 -2.505) 6.010 15.739 ( -3.102 4.498 -2.505) 6.010 16.016 ( 8.543 -2.159 2.983) 9.303 16.016 ( 8.543 2.159 2.983) 9.303 17.095 ( -2.582 -1.484 0.738) 3.068 17.095 ( -2.582 1.484 0.738) 3.068 19.291 ( 2.691 -3.538 0.849) 4.526 19.291 ( 2.691 3.538 0.849) 4.526 21.024 ( -3.805 -1.828 -0.699) 4.279 21.024 ( -3.805 1.828 -0.699) 4.279 21.601 ( 7.157 -4.255 -0.864) 8.371 21.601 ( 7.157 4.255 -0.864) 8.371 23.099 ( -5.329 -1.964 -0.152) 5.681 23.099 ( -5.329 1.964 -0.152) 5.681 26.573 ( 16.247 -4.178 0.567) 16.785 26.573 ( 16.247 4.178 0.567) 16.785 29.437 ( -24.223 -6.491 -1.593) 25.128 29.437 ( -24.223 6.491 -1.593) 25.128 30.591 ( 14.563 -1.847 1.085) 14.720 30.591 ( 14.563 1.847 1.085) 14.720 31.235 ( 4.172 -2.026 -0.111) 4.639 31.235 ( 4.172 2.026 -0.111) 4.639 31.623 ( 0.425 -5.905 0.128) 5.921 31.623 ( 0.425 5.905 0.128) 5.921 32.349 ( -11.590 -1.329 -0.156) 11.667 32.349 ( -11.590 1.329 -0.156) 11.667 32.874 ( 13.344 -1.818 -0.372) 13.472 32.874 ( 13.344 1.818 -0.372) 13.472 34.038 ( -4.707 -4.325 0.183) 6.395 34.038 ( -4.707 4.325 0.183) 6.395 35.501 ( 0.429 -6.303 -0.550) 6.341 35.501 ( 0.429 6.303 -0.550) 6.341 35.834 ( 2.454 -7.261 -2.045) 7.933 35.834 ( 2.454 7.261 -2.045) 7.933 36.269 ( 4.404 -8.240 2.190) 9.596 36.269 ( 4.404 8.240 2.190) 9.596 38.248 ( -10.115 -8.558 -0.105) 13.250 38.248 ( -10.115 8.558 -0.105) 13.250 ======================= Grid point 25 (15/88) ======================= q-point: ( 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -2.073 -6.026 4.271) 7.672 1.297 ( -2.073 6.026 4.271) 7.672 1.923 ( 8.586 -6.460 0.505) 10.757 1.923 ( 8.586 6.460 0.505) 10.757 2.338 ( 15.004 -5.058 -5.410) 16.733 2.338 ( 15.004 5.058 -5.410) 16.733 2.514 ( 1.114 -7.197 3.382) 8.030 2.514 ( 1.114 7.197 3.382) 8.030 3.027 ( 6.822 -9.081 -0.069) 11.359 3.027 ( 6.822 9.081 -0.069) 11.359 3.277 ( -1.665 -4.127 1.648) 4.745 3.277 ( -1.665 4.127 1.648) 4.745 3.671 ( -0.198 -5.672 -0.287) 5.682 3.671 ( -0.198 5.672 -0.287) 5.682 4.022 ( 3.777 -11.528 -5.408) 13.281 4.022 ( 3.777 11.528 -5.408) 13.281 4.211 ( -4.408 -13.847 1.779) 14.640 4.211 ( -4.408 13.847 1.779) 14.640 4.561 ( -3.447 -5.175 0.376) 6.230 4.561 ( -3.447 5.175 0.376) 6.230 4.752 ( -6.460 -2.474 0.868) 6.972 4.752 ( -6.460 2.474 0.868) 6.972 4.969 ( 3.200 -7.011 -3.043) 8.286 4.969 ( 3.200 7.011 -3.043) 8.286 5.345 ( -4.742 -4.666 -1.011) 6.729 5.345 ( -4.742 4.666 -1.011) 6.729 5.651 ( -1.781 -3.323 4.381) 5.780 5.651 ( -1.781 3.323 4.381) 5.780 6.024 ( -8.009 -5.155 2.188) 9.772 6.024 ( -8.009 5.155 2.188) 9.772 6.242 ( 3.096 -3.540 3.223) 5.701 6.242 ( 3.096 3.540 3.223) 5.701 6.443 ( 2.721 -2.273 -1.412) 3.816 6.443 ( 2.721 2.273 -1.412) 3.816 7.154 ( 4.501 -4.578 -6.393) 9.060 7.154 ( 4.501 4.578 -6.393) 9.060 7.374 ( -7.602 -4.330 0.760) 8.782 7.374 ( -7.602 4.330 0.760) 8.782 7.781 ( -3.792 -1.433 2.493) 4.759 7.781 ( -3.792 1.433 2.493) 4.759 8.273 ( 6.493 -4.573 -0.002) 7.942 8.273 ( 6.493 4.573 -0.002) 7.942 9.077 ( -1.915 -4.882 1.541) 5.466 9.077 ( -1.915 4.882 1.541) 5.466 9.346 ( 0.931 -0.753 -0.256) 1.224 9.346 ( 0.931 0.753 -0.256) 1.224 9.662 ( -1.398 -4.342 -1.880) 4.933 9.662 ( -1.398 4.342 -1.880) 4.933 10.156 ( 3.257 -3.372 -1.871) 5.048 10.156 ( 3.257 3.372 -1.871) 5.048 10.590 ( 0.989 -1.058 2.112) 2.561 10.590 ( 0.989 1.058 2.112) 2.561 11.061 ( -12.748 -2.437 -0.566) 12.991 11.061 ( -12.748 2.437 -0.566) 12.991 11.584 ( 0.591 -2.720 0.918) 2.931 11.584 ( 0.591 2.720 0.918) 2.931 12.579 ( 10.899 -0.617 -0.609) 10.934 12.579 ( 10.899 0.617 -0.609) 10.934 13.033 ( -0.022 -2.441 0.433) 2.479 13.033 ( -0.022 2.441 0.433) 2.479 13.736 ( 2.476 -2.625 -0.248) 3.617 13.736 ( 2.476 2.625 -0.248) 3.617 13.956 ( 0.709 -3.211 1.691) 3.698 13.956 ( 0.709 3.211 1.691) 3.698 14.470 ( -4.719 -2.217 -4.884) 7.144 14.470 ( -4.719 2.217 -4.884) 7.144 15.185 ( -5.160 -3.901 1.968) 6.761 15.185 ( -5.160 3.901 1.968) 6.761 15.605 ( 2.562 -0.943 1.214) 2.988 15.605 ( 2.562 0.943 1.214) 2.988 15.713 ( 0.852 -4.073 -2.315) 4.762 15.713 ( 0.852 4.073 -2.315) 4.762 16.210 ( 10.189 -1.305 1.640) 10.403 16.210 ( 10.189 1.305 1.640) 10.403 17.028 ( -4.062 -1.764 0.955) 4.530 17.028 ( -4.062 1.764 0.955) 4.530 19.353 ( 3.212 -3.088 0.801) 4.527 19.353 ( 3.212 3.088 0.801) 4.527 20.953 ( -3.009 -1.820 -0.622) 3.571 20.953 ( -3.009 1.820 -0.622) 3.571 21.753 ( 7.533 -3.830 -0.984) 8.508 21.753 ( 7.533 3.830 -0.984) 8.508 22.975 ( -6.547 -2.097 -0.104) 6.876 22.975 ( -6.547 2.097 -0.104) 6.876 26.960 ( 21.064 -9.419 0.888) 23.091 26.960 ( 21.064 9.419 0.888) 23.091 28.942 ( -24.404 -5.433 -1.513) 25.047 28.942 ( -24.404 5.433 -1.513) 25.047 30.830 ( 9.075 -0.600 0.488) 9.108 30.830 ( 9.075 0.600 0.488) 9.108 31.344 ( 6.274 -1.729 0.090) 6.509 31.344 ( 6.274 1.729 0.090) 6.509 31.634 ( 0.779 -5.705 0.207) 5.762 31.634 ( 0.779 5.705 0.207) 5.762 32.137 ( -9.699 -0.684 -0.452) 9.733 32.137 ( -9.699 0.684 -0.452) 9.733 33.131 ( 12.539 -2.054 -0.419) 12.713 33.131 ( 12.539 2.054 -0.419) 12.713 33.911 ( -7.813 -3.888 0.259) 8.731 33.911 ( -7.813 3.888 0.259) 8.731 35.510 ( 0.431 -3.386 -0.393) 3.436 35.510 ( 0.431 3.386 -0.393) 3.436 35.884 ( 2.343 -3.905 -2.510) 5.200 35.884 ( 2.343 3.905 -2.510) 5.200 36.388 ( 6.912 -7.442 2.538) 10.469 36.388 ( 6.912 7.442 2.538) 10.469 38.012 ( -12.398 -10.352 -0.133) 16.152 38.012 ( -12.398 10.352 -0.133) 16.152 ======================= Grid point 27 (16/88) ======================= q-point: ( 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.993 -4.685 1.633) 5.060 1.265 ( -0.993 4.685 1.633) 5.060 2.040 ( 2.306 -3.099 1.751) 4.241 2.040 ( 2.306 3.099 1.751) 4.241 2.433 ( 2.448 -6.699 -1.638) 7.318 2.433 ( 2.448 6.699 -1.638) 7.318 2.736 ( 8.588 -9.631 -0.393) 12.910 2.736 ( 8.588 9.631 -0.393) 12.910 3.114 ( 4.257 -2.459 -3.259) 5.898 3.114 ( 4.257 2.459 -3.259) 5.898 3.308 ( 3.217 -8.242 5.088) 10.206 3.308 ( 3.217 8.242 5.088) 10.206 3.609 ( -4.937 -7.650 -2.052) 9.333 3.609 ( -4.937 7.650 -2.052) 9.333 4.048 ( -2.469 -5.934 1.883) 6.698 4.048 ( -2.469 5.934 1.883) 6.698 4.143 ( -0.492 -6.257 -0.677) 6.313 4.143 ( -0.492 6.257 -0.677) 6.313 4.473 ( -3.169 -7.286 -1.026) 8.011 4.473 ( -3.169 7.286 -1.026) 8.011 4.664 ( -2.328 -4.118 -0.700) 4.782 4.664 ( -2.328 4.118 -0.700) 4.782 5.030 ( 2.261 -5.838 -2.246) 6.651 5.030 ( 2.261 5.838 -2.246) 6.651 5.264 ( -2.488 -4.535 0.221) 5.177 5.264 ( -2.488 4.535 0.221) 5.177 5.666 ( 1.058 -3.567 1.361) 3.962 5.666 ( 1.058 3.567 1.361) 3.962 5.903 ( -3.219 -4.189 1.240) 5.426 5.903 ( -3.219 4.189 1.240) 5.426 6.292 ( 1.384 -4.363 2.278) 5.112 6.292 ( 1.384 4.363 2.278) 5.112 6.480 ( 1.043 -1.545 -0.246) 1.880 6.480 ( 1.043 1.545 -0.246) 1.880 7.180 ( -1.043 -1.782 -3.384) 3.964 7.180 ( -1.043 1.782 -3.384) 3.964 7.290 ( -0.981 -1.533 0.691) 1.946 7.290 ( -0.981 1.533 0.691) 1.946 7.723 ( -1.698 -4.852 1.080) 5.253 7.723 ( -1.698 4.852 1.080) 5.253 8.374 ( 2.986 -5.257 -0.083) 6.046 8.374 ( 2.986 5.257 -0.083) 6.046 9.037 ( -1.460 -5.545 0.625) 5.768 9.037 ( -1.460 5.545 0.625) 5.768 9.377 ( 1.318 -0.984 -0.064) 1.646 9.377 ( 1.318 0.984 -0.064) 1.646 9.641 ( -0.540 -2.092 -0.737) 2.283 9.641 ( -0.540 2.092 -0.737) 2.283 10.204 ( 1.551 -2.313 -1.459) 3.144 10.204 ( 1.551 2.313 -1.459) 3.144 10.603 ( 0.147 -2.584 1.939) 3.234 10.603 ( 0.147 2.584 1.939) 3.234 10.867 ( -5.709 -2.479 -0.621) 6.255 10.867 ( -5.709 2.479 -0.621) 6.255 11.592 ( 0.189 -1.785 0.316) 1.822 11.592 ( 0.189 1.785 0.316) 1.822 12.729 ( 3.845 -0.249 -0.333) 3.868 12.729 ( 3.845 0.249 -0.333) 3.868 13.043 ( 0.682 -3.355 0.247) 3.432 13.043 ( 0.682 3.355 0.247) 3.432 13.740 ( -0.637 -1.164 -0.443) 1.399 13.740 ( -0.637 1.164 -0.443) 1.399 14.010 ( 2.389 -2.741 1.452) 3.915 14.010 ( 2.389 2.741 1.452) 3.915 14.403 ( -1.458 -5.373 -2.495) 6.100 14.403 ( -1.458 5.373 -2.495) 6.100 15.082 ( -3.807 -2.471 0.999) 4.647 15.082 ( -3.807 2.471 0.999) 4.647 15.631 ( 0.603 -0.839 -0.433) 1.121 15.631 ( 0.603 0.839 -0.433) 1.121 15.737 ( 0.801 -2.123 0.082) 2.271 15.737 ( 0.801 2.123 0.082) 2.271 16.374 ( 5.075 -0.357 0.280) 5.095 16.374 ( 5.075 0.357 0.280) 5.095 16.956 ( -2.513 -1.892 0.485) 3.183 16.956 ( -2.513 1.892 0.485) 3.183 19.402 ( 1.410 -2.168 0.278) 2.601 19.402 ( 1.410 2.168 0.278) 2.601 20.912 ( -1.097 -1.633 -0.207) 1.978 20.912 ( -1.097 1.633 -0.207) 1.978 21.868 ( 3.405 -1.754 -0.407) 3.852 21.868 ( 3.405 1.754 -0.407) 3.852 22.872 ( -3.130 -1.382 -0.021) 3.421 22.872 ( -3.130 1.382 -0.021) 3.421 27.316 ( 12.144 -10.916 0.601) 16.341 27.316 ( 12.144 10.916 0.601) 16.341 28.546 ( -13.070 -7.651 -0.795) 15.165 28.546 ( -13.070 7.651 -0.795) 15.165 30.947 ( 2.954 -0.401 0.079) 2.982 30.947 ( 2.954 0.401 0.079) 2.982 31.444 ( 2.941 -2.016 0.049) 3.566 31.444 ( 2.941 2.016 0.049) 3.566 31.659 ( 1.490 -2.393 0.288) 2.834 31.659 ( 1.490 2.393 0.288) 2.834 31.983 ( -5.071 -0.431 -0.384) 5.104 31.983 ( -5.071 0.431 -0.384) 5.104 33.343 ( 7.665 -2.392 -0.274) 8.034 33.343 ( 7.665 2.392 -0.274) 8.034 33.759 ( -6.217 -3.367 0.204) 7.073 33.759 ( -6.217 3.367 0.204) 7.073 35.516 ( 0.175 -1.499 -0.108) 1.513 35.516 ( 0.175 1.499 -0.108) 1.513 35.915 ( 0.851 -2.491 -1.045) 2.832 35.915 ( 0.851 2.491 -1.045) 2.832 36.505 ( 3.776 -3.620 1.052) 5.336 36.505 ( 3.776 3.620 1.052) 5.336 37.819 ( -5.789 -7.243 -0.080) 9.273 37.819 ( -5.789 7.243 -0.080) 9.273 ======================= Grid point 49 (17/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -9.105 0.000 26.928) 28.425 0.827 ( -6.741 0.000 37.529) 38.129 1.199 ( 7.298 0.000 50.041) 50.570 1.830 ( 1.376 0.000 -2.970) 3.273 1.946 ( -1.546 0.000 7.116) 7.282 2.156 ( -1.347 0.000 4.024) 4.244 2.438 ( -5.285 0.000 1.513) 5.498 2.569 ( -3.405 0.000 -1.615) 3.768 2.758 ( 2.129 0.000 -3.355) 3.973 2.894 ( -5.753 0.000 -3.577) 6.774 2.914 ( 12.771 0.000 1.860) 12.906 3.199 ( 3.655 0.000 -0.223) 3.662 3.402 ( 1.401 0.000 1.623) 2.144 3.491 ( -8.552 0.000 5.346) 10.086 3.955 ( 2.871 0.000 2.232) 3.637 4.126 ( 4.879 0.000 -3.768) 6.164 4.280 ( -7.530 0.000 0.732) 7.565 4.346 ( -0.642 0.000 1.754) 1.868 4.540 ( -6.133 0.000 -2.955) 6.807 4.585 ( -6.184 0.000 -9.926) 11.695 4.757 ( 1.784 0.000 -5.048) 5.354 4.853 ( 1.639 0.000 -3.616) 3.970 4.977 ( 3.148 0.000 -4.680) 5.640 5.109 ( 3.073 0.000 -3.071) 4.344 5.231 ( 2.908 0.000 0.227) 2.917 5.474 ( 11.210 0.000 -9.106) 14.442 5.518 ( -7.850 0.000 0.255) 7.854 5.744 ( 0.188 0.000 6.073) 6.076 5.798 ( 5.355 0.000 1.214) 5.491 6.041 ( 2.523 0.000 5.610) 6.151 6.060 ( -2.312 0.000 3.518) 4.210 6.191 ( 1.888 0.000 2.962) 3.513 6.396 ( 1.367 0.000 -2.931) 3.234 6.793 ( 1.448 0.000 1.279) 1.932 6.952 ( 1.831 0.000 2.121) 2.802 7.039 ( -10.088 0.000 -4.564) 11.072 7.341 ( -2.057 0.000 3.455) 4.021 7.478 ( -6.037 0.000 -2.163) 6.413 7.791 ( -5.116 0.000 3.643) 6.280 8.078 ( 4.091 0.000 -6.036) 7.292 8.188 ( 10.231 0.000 -0.371) 10.238 8.273 ( -7.614 0.000 -1.435) 7.748 9.119 ( -1.124 0.000 -2.342) 2.598 9.205 ( 2.980 0.000 3.868) 4.883 9.531 ( -9.418 0.000 -3.054) 9.901 9.589 ( 0.419 0.000 -0.293) 0.511 9.698 ( 1.187 0.000 1.513) 1.923 9.848 ( 1.009 0.000 1.530) 1.833 10.095 ( 1.844 0.000 -4.448) 4.815 10.263 ( 0.649 0.000 -2.057) 2.157 10.504 ( -4.023 0.000 2.341) 4.655 10.734 ( 7.035 0.000 -1.319) 7.158 11.420 ( 1.143 0.000 1.395) 1.803 11.540 ( 1.382 0.000 -0.075) 1.384 11.611 ( -2.007 0.000 0.125) 2.011 11.723 ( 2.915 0.000 3.766) 4.762 12.134 ( -1.291 0.000 0.816) 1.527 12.291 ( -7.673 0.000 -0.399) 7.683 13.027 ( 4.781 0.000 -1.729) 5.085 13.082 ( 1.808 0.000 0.258) 1.826 13.495 ( 0.641 0.000 -1.048) 1.229 13.555 ( -6.997 0.000 -0.160) 6.998 13.907 ( -0.728 0.000 3.683) 3.755 14.166 ( 2.491 0.000 -0.772) 2.608 14.230 ( 2.659 0.000 -1.240) 2.934 14.528 ( -1.846 0.000 -4.158) 4.549 15.203 ( 7.433 0.000 0.747) 7.470 15.277 ( -3.350 0.000 1.337) 3.607 15.461 ( 1.874 0.000 -1.536) 2.423 15.499 ( 0.068 0.000 -0.482) 0.486 15.820 ( 4.255 0.000 -0.878) 4.345 15.833 ( -8.988 0.000 -2.395) 9.302 16.036 ( 3.559 0.000 2.639) 4.430 16.286 ( -4.486 0.000 0.999) 4.596 17.052 ( 0.969 0.000 1.332) 1.647 17.143 ( 0.148 0.000 0.337) 0.368 19.109 ( -0.381 0.000 1.695) 1.737 19.398 ( 2.482 0.000 -2.019) 3.199 20.984 ( -0.090 0.000 0.112) 0.144 21.124 ( -0.803 0.000 -0.794) 1.129 21.230 ( -0.409 0.000 0.213) 0.461 21.644 ( 0.176 0.000 -0.091) 0.198 22.943 ( -1.032 0.000 -0.477) 1.137 23.179 ( -1.261 0.000 1.082) 1.662 26.401 ( 0.454 0.000 0.161) 0.482 26.432 ( 14.230 0.000 -0.041) 14.230 29.551 ( 1.873 0.000 1.503) 2.402 29.692 ( -6.283 0.000 -1.367) 6.430 30.647 ( 4.093 0.000 0.680) 4.149 30.902 ( 1.548 0.000 -0.132) 1.554 31.229 ( -8.649 0.000 -0.923) 8.698 31.293 ( -20.684 0.000 1.500) 20.738 31.410 ( -0.820 0.000 0.958) 1.261 31.661 ( 27.276 0.000 -3.453) 27.493 32.526 ( -5.757 0.000 0.514) 5.780 32.616 ( 3.521 0.000 1.482) 3.820 32.710 ( 6.416 0.000 2.106) 6.753 32.978 ( 1.029 0.000 -0.508) 1.147 33.915 ( 0.310 0.000 0.513) 0.599 34.168 ( 0.101 0.000 -2.539) 2.541 35.172 ( -0.952 0.000 0.885) 1.300 35.388 ( 1.507 0.000 -1.296) 1.988 35.812 ( 0.789 0.000 -0.161) 0.805 36.018 ( -23.550 0.000 -2.751) 23.710 36.183 ( 1.673 0.000 0.525) 1.753 36.353 ( -1.750 0.000 3.601) 4.004 38.077 ( -0.528 0.000 2.723) 2.774 38.614 ( 2.071 0.000 -3.909) 4.424 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 13.698 0.000 14.202) 19.731 1.011 ( 27.368 0.000 15.012) 31.215 1.648 ( 19.421 0.000 36.980) 41.769 1.850 ( -0.786 0.000 0.708) 1.058 1.934 ( 4.335 0.000 11.537) 12.325 2.102 ( 2.657 0.000 1.029) 2.850 2.396 ( 3.752 0.000 2.415) 4.462 2.575 ( 0.159 0.000 0.844) 0.859 2.683 ( -8.185 0.000 -2.548) 8.573 2.823 ( 5.577 0.000 0.202) 5.580 3.083 ( -0.658 0.000 -2.612) 2.694 3.244 ( -5.006 0.000 3.715) 6.234 3.407 ( -1.097 0.000 1.667) 1.996 3.501 ( 7.142 0.000 2.664) 7.622 3.978 ( 0.874 0.000 1.388) 1.640 4.091 ( -9.154 0.000 -2.531) 9.497 4.167 ( 0.552 0.000 -1.389) 1.495 4.292 ( -3.140 0.000 -1.550) 3.502 4.453 ( -1.024 0.000 -4.759) 4.868 4.558 ( -0.555 0.000 -8.108) 8.127 4.756 ( 0.181 0.000 -8.942) 8.944 4.915 ( 2.716 0.000 -0.659) 2.794 5.017 ( -0.819 0.000 -3.077) 3.185 5.140 ( 2.231 0.000 -8.538) 8.824 5.304 ( -2.026 0.000 6.707) 7.006 5.425 ( 5.483 0.000 -0.283) 5.490 5.607 ( -1.336 0.000 2.511) 2.844 5.698 ( -5.049 0.000 7.265) 8.847 5.887 ( -6.375 0.000 -5.004) 8.105 5.940 ( 3.413 0.000 -2.462) 4.208 6.098 ( -1.923 0.000 4.680) 5.060 6.207 ( -0.622 0.000 3.244) 3.303 6.317 ( -0.963 0.000 4.125) 4.236 6.836 ( -1.653 0.000 -0.117) 1.657 6.877 ( 2.272 0.000 -0.583) 2.346 6.947 ( -5.076 0.000 7.566) 9.111 7.321 ( -2.652 0.000 3.116) 4.092 7.360 ( 3.190 0.000 -0.930) 3.322 7.688 ( -4.558 0.000 -0.787) 4.625 7.979 ( -12.781 0.000 -0.909) 12.813 8.213 ( 0.622 0.000 -0.245) 0.668 8.378 ( 9.940 0.000 -3.107) 10.415 9.031 ( -3.210 0.000 6.355) 7.119 9.232 ( 0.306 0.000 3.643) 3.656 9.375 ( -4.119 0.000 -5.191) 6.627 9.595 ( -0.123 0.000 -0.166) 0.207 9.765 ( 4.189 0.000 -1.640) 4.498 9.841 ( -1.123 0.000 1.671) 2.014 10.170 ( 4.812 0.000 -3.203) 5.781 10.234 ( -4.081 0.000 1.035) 4.211 10.453 ( -0.015 0.000 -1.599) 1.599 10.815 ( 1.194 0.000 -0.709) 1.388 11.352 ( -7.182 0.000 0.489) 7.199 11.390 ( -12.419 0.000 1.154) 12.472 11.507 ( -5.229 0.000 -0.368) 5.242 11.724 ( -2.288 0.000 2.650) 3.501 12.287 ( 12.005 0.000 0.224) 12.008 12.404 ( 11.300 0.000 -1.729) 11.431 13.005 ( -3.288 0.000 -1.136) 3.479 13.159 ( 3.316 0.000 -1.862) 3.803 13.544 ( 3.027 0.000 1.266) 3.281 13.775 ( 6.718 0.000 -7.863) 10.342 13.962 ( 7.988 0.000 -1.947) 8.222 14.163 ( -0.747 0.000 -5.988) 6.035 14.314 ( 3.127 0.000 -5.338) 6.187 14.456 ( -3.842 0.000 -3.964) 5.521 15.230 ( -2.855 0.000 -5.852) 6.511 15.274 ( 2.679 0.000 0.687) 2.766 15.437 ( -1.144 0.000 2.147) 2.433 15.607 ( 0.175 0.000 1.652) 1.662 15.757 ( 2.676 0.000 -1.053) 2.876 15.862 ( -4.050 0.000 1.460) 4.305 16.084 ( 9.734 0.000 -1.919) 9.922 16.287 ( 3.141 0.000 0.626) 3.203 17.047 ( -2.272 0.000 2.617) 3.466 17.146 ( -0.710 0.000 -0.600) 0.929 19.139 ( 2.928 0.000 1.528) 3.303 19.439 ( 1.408 0.000 -1.706) 2.212 20.980 ( -0.961 0.000 0.686) 1.181 21.052 ( -4.006 0.000 -1.707) 4.354 21.321 ( 8.121 0.000 -1.339) 8.231 21.722 ( 5.343 0.000 -0.805) 5.404 22.864 ( -4.413 0.000 -1.886) 4.799 23.156 ( -3.282 0.000 1.570) 3.638 26.491 ( 9.351 0.000 0.104) 9.351 27.191 ( 40.473 0.000 -35.129) 53.592 29.197 ( -25.376 0.000 3.219) 25.580 29.478 ( -23.069 0.000 4.227) 23.453 30.730 ( 3.144 0.000 11.902) 12.310 30.798 ( 4.917 0.000 5.003) 7.014 31.131 ( 5.269 0.000 0.201) 5.273 31.283 ( 3.974 0.000 0.547) 4.012 31.414 ( 0.790 0.000 1.229) 1.461 32.040 ( 6.222 0.000 -9.755) 11.571 32.311 ( -9.974 0.000 -1.879) 10.150 32.575 ( -10.387 0.000 0.904) 10.427 32.887 ( 11.701 0.000 3.496) 12.212 33.056 ( 6.234 0.000 2.756) 6.816 33.881 ( -3.772 0.000 0.560) 3.814 34.122 ( -4.460 0.000 -2.403) 5.067 35.175 ( 1.252 0.000 -0.118) 1.258 35.428 ( 1.915 0.000 0.599) 2.006 35.775 ( -0.723 0.000 0.567) 0.919 35.854 ( 3.736 0.000 -0.295) 3.747 36.209 ( -0.255 0.000 -1.375) 1.399 36.330 ( 0.008 0.000 5.205) 5.205 37.840 ( -11.537 0.000 14.508) 18.536 38.559 ( -7.075 0.000 -4.384) 8.323 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 13.850 0.000 2.499) 14.074 1.675 ( 31.894 0.000 -4.843) 32.260 1.731 ( -0.734 0.000 13.337) 13.357 1.846 ( 0.895 0.000 1.746) 1.962 2.076 ( 7.455 0.000 12.857) 14.862 2.460 ( 10.354 0.000 12.483) 16.218 2.465 ( -3.630 0.000 1.834) 4.067 2.578 ( 9.680 0.000 8.627) 12.966 2.633 ( 6.758 0.000 -3.112) 7.441 2.907 ( -4.871 0.000 -0.194) 4.875 2.992 ( 10.225 0.000 1.574) 10.345 3.209 ( -7.886 0.000 0.998) 7.948 3.250 ( -6.514 0.000 2.680) 7.044 3.623 ( 0.165 0.000 -1.883) 1.891 3.919 ( 1.121 0.000 -1.634) 1.981 4.049 ( -0.233 0.000 -1.248) 1.270 4.188 ( 0.142 0.000 -5.371) 5.373 4.249 ( -0.909 0.000 5.616) 5.689 4.402 ( -4.455 0.000 -0.268) 4.463 4.536 ( -1.140 0.000 -8.116) 8.196 4.780 ( 1.974 0.000 -7.704) 7.953 4.908 ( -3.836 0.000 -0.780) 3.915 4.999 ( 2.205 0.000 -3.368) 4.026 5.172 ( -2.431 0.000 -2.073) 3.194 5.280 ( 3.418 0.000 -2.349) 4.147 5.447 ( -4.685 0.000 6.891) 8.333 5.551 ( -6.775 0.000 5.431) 8.683 5.652 ( 6.679 0.000 4.103) 7.838 5.752 ( -8.071 0.000 -0.191) 8.073 5.900 ( -9.391 0.000 5.413) 10.839 6.067 ( 2.582 0.000 -3.408) 4.276 6.289 ( 4.770 0.000 2.357) 5.320 6.330 ( -0.370 0.000 1.422) 1.469 6.664 ( -11.832 0.000 0.975) 11.872 6.873 ( 5.171 0.000 -7.589) 9.184 7.048 ( 5.217 0.000 5.566) 7.629 7.268 ( -2.531 0.000 -2.294) 3.416 7.472 ( 2.565 0.000 -4.331) 5.033 7.618 ( -3.450 0.000 1.645) 3.822 7.737 ( -7.171 0.000 0.251) 7.175 8.234 ( 1.764 0.000 1.113) 2.086 8.564 ( 8.803 0.000 -3.631) 9.522 8.988 ( -2.177 0.000 6.192) 6.564 9.218 ( -1.528 0.000 0.690) 1.676 9.358 ( 1.469 0.000 -2.535) 2.930 9.594 ( 0.226 0.000 0.687) 0.723 9.801 ( -1.285 0.000 -0.100) 1.289 9.872 ( 4.125 0.000 -2.713) 4.937 10.129 ( -4.505 0.000 3.364) 5.623 10.257 ( 4.236 0.000 -3.870) 5.738 10.461 ( -0.501 0.000 -3.632) 3.667 10.827 ( 0.250 0.000 2.217) 2.231 11.120 ( -11.692 0.000 2.671) 11.993 11.182 ( -10.777 0.000 0.025) 10.777 11.467 ( 0.479 0.000 -1.030) 1.136 11.667 ( -3.078 0.000 1.224) 3.313 12.513 ( 9.721 0.000 -1.118) 9.785 12.599 ( 8.075 0.000 -0.077) 8.075 12.959 ( -1.177 0.000 -0.973) 1.527 13.206 ( 1.477 0.000 -1.798) 2.327 13.634 ( 5.909 0.000 2.180) 6.298 13.815 ( 1.609 0.000 -1.788) 2.405 13.977 ( -4.711 0.000 1.173) 4.855 14.127 ( -5.514 0.000 -0.834) 5.577 14.389 ( -2.711 0.000 -5.386) 6.030 14.414 ( 8.316 0.000 -11.434) 14.138 15.146 ( -5.533 0.000 -7.828) 9.586 15.233 ( -5.209 0.000 1.830) 5.521 15.512 ( 7.202 0.000 2.908) 7.766 15.583 ( -0.418 0.000 -0.125) 0.436 15.735 ( -2.651 0.000 0.890) 2.797 15.915 ( 5.794 0.000 2.900) 6.479 16.272 ( 5.383 0.000 -0.075) 5.383 16.354 ( 5.739 0.000 -3.061) 6.504 16.980 ( -4.277 0.000 3.460) 5.501 17.097 ( -3.812 0.000 -0.162) 3.815 19.214 ( 4.306 0.000 1.077) 4.439 19.456 ( 0.376 0.000 -0.569) 0.682 20.935 ( -2.849 0.000 1.318) 3.139 20.997 ( -1.854 0.000 -1.776) 2.568 21.514 ( 10.970 0.000 -2.222) 11.193 21.827 ( 4.857 0.000 0.338) 4.869 22.782 ( -3.709 0.000 -2.958) 4.744 23.045 ( -7.304 0.000 1.952) 7.560 26.747 ( 15.757 0.000 0.763) 15.776 27.732 ( 17.786 0.000 -26.875) 32.228 28.694 ( -24.536 0.000 2.983) 24.716 29.008 ( -20.929 0.000 0.982) 20.952 30.883 ( 9.445 0.000 7.343) 11.963 30.962 ( 8.374 0.000 3.528) 9.087 31.275 ( 8.445 0.000 -0.703) 8.474 31.384 ( 3.934 0.000 1.718) 4.293 31.459 ( 5.591 0.000 1.721) 5.850 31.965 ( -8.734 0.000 1.795) 8.916 32.156 ( -7.339 0.000 -2.536) 7.764 32.343 ( -12.141 0.000 3.354) 12.595 33.114 ( 10.858 0.000 2.782) 11.208 33.230 ( 10.620 0.000 0.992) 10.666 33.777 ( -6.437 0.000 0.731) 6.478 34.000 ( -7.602 0.000 -2.091) 7.884 35.217 ( 2.782 0.000 -1.430) 3.128 35.454 ( 0.620 0.000 2.697) 2.768 35.800 ( 1.462 0.000 -1.051) 1.800 35.961 ( 6.127 0.000 -3.816) 7.218 36.159 ( -3.708 0.000 -3.098) 4.832 36.375 ( 3.546 0.000 6.299) 7.228 37.750 ( 0.357 0.000 9.664) 9.670 38.366 ( -11.447 0.000 -4.454) 12.283 ======================= Grid point 52 (20/88) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 17.044 0.000 1.271) 17.091 1.679 ( -0.306 0.000 3.653) 3.665 1.833 ( -2.689 0.000 0.541) 2.743 2.060 ( -13.094 0.000 9.878) 16.402 2.128 ( 1.579 0.000 2.965) 3.359 2.422 ( 17.575 0.000 4.918) 18.250 2.478 ( -2.969 0.000 13.874) 14.188 2.708 ( 1.080 0.000 -0.270) 1.113 2.876 ( 4.863 0.000 3.397) 5.932 2.976 ( -4.070 0.000 -11.219) 11.935 3.071 ( -7.396 0.000 0.658) 7.425 3.173 ( 17.305 0.000 -7.022) 18.676 3.283 ( 13.328 0.000 9.062) 16.117 3.468 ( -8.869 0.000 -8.450) 12.250 3.990 ( -3.973 0.000 0.167) 3.977 4.052 ( 3.133 0.000 1.716) 3.572 4.162 ( 1.175 0.000 2.527) 2.787 4.307 ( 5.055 0.000 2.927) 5.841 4.385 ( 3.665 0.000 1.919) 4.137 4.464 ( -7.152 0.000 -0.191) 7.155 4.807 ( 2.564 0.000 -3.625) 4.440 4.852 ( -0.982 0.000 -3.140) 3.290 5.011 ( -4.118 0.000 0.324) 4.131 5.094 ( -0.325 0.000 0.364) 0.488 5.286 ( -6.935 0.000 2.555) 7.391 5.450 ( -4.401 0.000 3.440) 5.587 5.466 ( 1.241 0.000 3.584) 3.793 5.557 ( -2.918 0.000 -0.295) 2.933 5.619 ( -6.970 0.000 4.970) 8.561 5.894 ( 5.461 0.000 0.337) 5.472 6.083 ( -1.430 0.000 -4.250) 4.484 6.301 ( 0.114 0.000 -1.366) 1.370 6.345 ( -0.729 0.000 1.979) 2.109 6.501 ( -5.227 0.000 -4.052) 6.614 6.990 ( 3.733 0.000 -5.145) 6.357 7.066 ( -2.020 0.000 0.460) 2.072 7.232 ( 0.170 0.000 -4.593) 4.596 7.471 ( 1.706 0.000 -0.027) 1.707 7.530 ( -2.580 0.000 -0.005) 2.580 7.739 ( 1.047 0.000 2.435) 2.650 8.290 ( 3.322 0.000 1.490) 3.641 8.705 ( 5.439 0.000 -2.928) 6.177 8.940 ( -2.915 0.000 2.640) 3.933 9.179 ( -2.666 0.000 -0.004) 2.666 9.404 ( 3.081 0.000 -1.089) 3.267 9.609 ( 1.172 0.000 1.654) 2.027 9.769 ( -3.622 0.000 2.582) 4.448 9.847 ( -2.897 0.000 -4.727) 5.544 10.201 ( 10.434 0.000 2.253) 10.674 10.328 ( 2.166 0.000 -3.040) 3.732 10.430 ( -0.648 0.000 -3.541) 3.600 10.783 ( -6.226 0.000 4.721) 7.813 10.931 ( -8.739 0.000 -0.966) 8.792 11.033 ( -1.378 0.000 2.166) 2.567 11.495 ( 1.846 0.000 -1.028) 2.112 11.613 ( -2.352 0.000 0.390) 2.384 12.640 ( 3.144 0.000 -1.701) 3.575 12.711 ( 3.225 0.000 0.189) 3.230 12.955 ( 0.298 0.000 -0.809) 0.862 13.220 ( 0.171 0.000 -1.035) 1.049 13.754 ( 5.262 0.000 1.880) 5.587 13.861 ( 0.694 0.000 0.395) 0.799 13.891 ( -2.674 0.000 0.056) 2.675 13.999 ( -3.835 0.000 0.525) 3.871 14.331 ( -1.777 0.000 -2.510) 3.075 14.562 ( 5.215 0.000 -9.447) 10.791 15.008 ( -7.630 0.000 -7.735) 10.865 15.179 ( 0.884 0.000 1.217) 1.504 15.579 ( -0.018 0.000 -0.387) 0.388 15.669 ( 7.979 0.000 0.222) 7.982 15.700 ( -1.320 0.000 1.359) 1.894 15.970 ( -1.492 0.000 5.136) 5.348 16.330 ( 2.682 0.000 -3.025) 4.043 16.476 ( 4.068 0.000 -0.219) 4.074 16.899 ( -3.523 0.000 3.222) 4.774 17.025 ( -2.638 0.000 -0.450) 2.676 19.293 ( 3.160 0.000 0.812) 3.263 19.448 ( -1.143 0.000 -0.297) 1.181 20.889 ( -1.821 0.000 0.916) 2.038 20.974 ( -0.266 0.000 -1.177) 1.207 21.714 ( 8.202 0.000 -2.412) 8.550 21.882 ( -0.001 0.000 0.589) 0.589 22.740 ( 0.445 0.000 -0.953) 1.052 22.906 ( -6.018 0.000 1.337) 6.164 27.043 ( 11.232 0.000 1.910) 11.394 27.900 ( 0.402 0.000 -13.742) 13.748 28.299 ( -13.441 0.000 1.480) 13.523 28.743 ( -3.814 0.000 -7.542) 8.451 31.035 ( 4.884 0.000 2.383) 5.434 31.089 ( 3.292 0.000 3.325) 4.679 31.398 ( 2.349 0.000 2.483) 3.418 31.453 ( 5.148 0.000 0.213) 5.153 31.618 ( 7.419 0.000 1.872) 7.651 31.818 ( -4.714 0.000 2.981) 5.578 32.006 ( -7.119 0.000 1.847) 7.355 32.127 ( -8.611 0.000 4.369) 9.656 33.304 ( 7.153 0.000 1.968) 7.418 33.423 ( 7.081 0.000 -1.215) 7.185 33.656 ( -4.586 0.000 0.866) 4.667 33.842 ( -6.935 0.000 -1.453) 7.085 35.272 ( 2.703 0.000 -2.384) 3.605 35.450 ( -1.380 0.000 3.288) 3.566 35.822 ( 0.735 0.000 0.272) 0.784 36.065 ( 4.341 0.000 -4.378) 6.165 36.093 ( -2.060 0.000 -1.983) 2.860 36.455 ( 4.065 0.000 7.228) 8.293 37.791 ( 0.720 0.000 2.995) 3.080 38.158 ( -6.824 0.000 -3.525) 7.681 ======================= Grid point 53 (21/88) ======================= q-point: (-0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.843 0.000 4.191) 5.064 1.735 ( -2.781 0.000 4.379) 5.188 1.764 ( -3.200 0.000 -4.163) 5.251 1.856 ( 3.038 0.000 10.409) 10.843 2.037 ( -7.507 0.000 -2.153) 7.809 2.341 ( -15.336 0.000 5.942) 16.447 2.543 ( -7.592 0.000 2.805) 8.094 2.684 ( -9.003 0.000 10.761) 14.031 2.803 ( 4.604 0.000 4.693) 6.575 2.939 ( 1.579 0.000 -4.729) 4.985 3.093 ( 3.924 0.000 -5.154) 6.478 3.316 ( 1.944 0.000 -2.482) 3.152 3.413 ( 2.082 0.000 5.386) 5.774 3.647 ( 12.899 0.000 -5.625) 14.072 3.947 ( -0.937 0.000 -1.270) 1.578 4.045 ( -3.457 0.000 1.888) 3.939 4.124 ( -12.765 0.000 14.137) 19.047 4.239 ( 1.286 0.000 -2.465) 2.780 4.381 ( -0.117 0.000 -2.093) 2.096 4.559 ( 11.189 0.000 5.055) 12.277 4.764 ( -5.500 0.000 -1.756) 5.774 4.912 ( 7.213 0.000 -8.023) 10.789 5.011 ( -2.114 0.000 -2.569) 3.327 5.091 ( -1.230 0.000 0.530) 1.339 5.181 ( -0.126 0.000 0.668) 0.680 5.349 ( 3.824 0.000 4.989) 6.286 5.480 ( -4.384 0.000 0.177) 4.387 5.514 ( 1.003 0.000 3.633) 3.769 5.690 ( 7.435 0.000 1.702) 7.628 5.856 ( -8.673 0.000 -2.447) 9.012 6.079 ( 2.479 0.000 -4.732) 5.342 6.244 ( -7.051 0.000 2.744) 7.566 6.352 ( 0.604 0.000 -5.749) 5.780 6.454 ( 1.996 0.000 1.378) 2.426 6.978 ( -0.150 0.000 -3.578) 3.581 7.033 ( -3.204 0.000 -1.214) 3.426 7.334 ( 8.759 0.000 -6.064) 10.653 7.518 ( 2.818 0.000 4.380) 5.208 7.567 ( 5.671 0.000 0.152) 5.673 7.709 ( -4.121 0.000 1.905) 4.540 8.317 ( -1.592 0.000 2.124) 2.654 8.766 ( -0.387 0.000 -2.151) 2.185 8.889 ( -0.980 0.000 1.744) 2.000 9.110 ( -3.765 0.000 -2.238) 4.380 9.463 ( 2.206 0.000 1.387) 2.606 9.629 ( -0.261 0.000 0.409) 0.485 9.657 ( -2.850 0.000 -1.199) 3.092 9.901 ( 6.233 0.000 -0.912) 6.299 10.247 ( -6.227 0.000 3.255) 7.026 10.446 ( 4.572 0.000 -4.511) 6.423 10.488 ( 7.288 0.000 2.580) 7.731 10.636 ( -5.832 0.000 0.599) 5.863 10.816 ( -0.434 0.000 -2.216) 2.258 11.092 ( 5.774 0.000 2.363) 6.239 11.517 ( -0.025 0.000 -0.419) 0.419 11.585 ( -0.043 0.000 -0.547) 0.549 12.647 ( -1.963 0.000 -1.337) 2.376 12.723 ( -2.490 0.000 0.389) 2.520 12.951 ( -0.394 0.000 -1.007) 1.081 13.212 ( -1.011 0.000 -1.160) 1.539 13.746 ( -7.063 0.000 1.069) 7.143 13.849 ( -0.281 0.000 -0.406) 0.494 13.874 ( 4.374 0.000 0.546) 4.408 14.069 ( 6.205 0.000 2.851) 6.829 14.343 ( 2.930 0.000 -1.839) 3.460 14.586 ( -2.330 0.000 -9.751) 10.026 14.882 ( -3.037 0.000 -5.640) 6.406 15.256 ( 5.357 0.000 -1.727) 5.628 15.589 ( 1.404 0.000 -0.263) 1.429 15.654 ( -3.252 0.000 -1.231) 3.477 15.796 ( 0.858 0.000 1.828) 2.019 15.923 ( 1.213 0.000 6.566) 6.677 16.330 ( -4.052 0.000 -3.197) 5.161 16.473 ( -4.268 0.000 0.580) 4.308 16.881 ( 2.144 0.000 1.957) 2.903 17.017 ( 1.821 0.000 -0.292) 1.845 19.315 ( -1.459 0.000 1.735) 2.267 19.425 ( -0.717 0.000 -1.152) 1.357 20.868 ( -0.198 0.000 0.148) 0.248 20.989 ( 1.793 0.000 -0.444) 1.847 21.735 ( -7.251 0.000 -2.039) 7.533 21.878 ( 0.927 0.000 0.714) 1.170 22.797 ( 2.364 0.000 0.414) 2.399 22.854 ( 3.641 0.000 -0.124) 3.643 27.057 ( -10.054 0.000 2.715) 10.414 27.769 ( -12.560 0.000 -16.451) 20.697 28.280 ( 13.074 0.000 1.473) 13.157 28.851 ( 13.139 0.000 -6.268) 14.558 31.034 ( -6.341 0.000 1.976) 6.641 31.088 ( -2.209 0.000 3.554) 4.184 31.426 ( 0.182 0.000 4.074) 4.078 31.502 ( -0.931 0.000 -1.501) 1.766 31.637 ( -6.651 0.000 5.291) 8.499 31.784 ( 0.618 0.000 0.677) 0.916 31.956 ( 3.950 0.000 1.358) 4.177 32.104 ( 6.270 0.000 4.297) 7.602 33.297 ( -7.749 0.000 1.078) 7.824 33.443 ( -6.431 0.000 -0.031) 6.431 33.642 ( 4.187 0.000 0.448) 4.211 33.840 ( 6.917 0.000 -1.582) 7.096 35.312 ( 1.244 0.000 -2.278) 2.595 35.401 ( -3.415 0.000 2.504) 4.234 35.827 ( -0.247 0.000 0.183) 0.307 36.070 ( 0.685 0.000 -7.053) 7.086 36.153 ( 4.152 0.000 3.804) 5.631 36.536 ( 3.522 0.000 8.342) 9.055 37.690 ( -9.101 0.000 -0.545) 9.117 38.186 ( 8.010 0.000 -2.031) 8.263 ======================= Grid point 54 (22/88) ======================= q-point: (-0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -22.062 0.000 6.861) 23.104 1.496 ( -18.976 0.000 14.105) 23.644 1.755 ( -4.354 0.000 0.756) 4.419 1.810 ( 1.797 0.000 -6.950) 7.179 2.013 ( 0.648 0.000 -3.797) 3.852 2.177 ( -2.002 0.000 9.043) 9.262 2.417 ( -5.209 0.000 8.191) 9.707 2.542 ( -2.701 0.000 4.236) 5.023 2.715 ( -12.106 0.000 8.232) 14.640 3.025 ( 2.692 0.000 2.280) 3.528 3.114 ( -3.060 0.000 -1.313) 3.329 3.259 ( -8.974 0.000 15.613) 18.008 3.443 ( 5.471 0.000 1.852) 5.776 3.714 ( 0.426 0.000 -4.518) 4.538 3.882 ( -3.964 0.000 -2.890) 4.906 3.972 ( -4.523 0.000 1.023) 4.638 4.085 ( 6.269 0.000 2.242) 6.658 4.338 ( 4.522 0.000 1.934) 4.918 4.434 ( 8.587 0.000 -3.454) 9.256 4.624 ( -0.792 0.000 -1.213) 1.449 4.798 ( -2.034 0.000 -2.568) 3.276 4.937 ( 1.839 0.000 -9.610) 9.785 5.032 ( 2.660 0.000 -7.782) 8.224 5.102 ( 4.595 0.000 -2.668) 5.313 5.186 ( -0.750 0.000 -0.016) 0.750 5.318 ( -9.412 0.000 -4.936) 10.628 5.497 ( 4.989 0.000 3.623) 6.166 5.565 ( 2.951 0.000 4.392) 5.291 5.753 ( 2.376 0.000 2.791) 3.666 5.825 ( 4.194 0.000 -1.252) 4.377 6.126 ( -3.419 0.000 1.357) 3.678 6.141 ( 3.410 0.000 -1.270) 3.638 6.327 ( -1.036 0.000 0.120) 1.043 6.549 ( 6.161 0.000 2.968) 6.839 6.954 ( -3.981 0.000 1.482) 4.248 7.011 ( 2.872 0.000 -3.373) 4.430 7.462 ( 2.187 0.000 -1.701) 2.770 7.571 ( -6.921 0.000 2.277) 7.286 7.655 ( 10.943 0.000 0.950) 10.984 7.709 ( 6.756 0.000 1.710) 6.970 8.234 ( -6.254 0.000 0.573) 6.281 8.655 ( -9.207 0.000 -2.062) 9.435 8.920 ( 2.185 0.000 4.366) 4.883 9.073 ( 1.128 0.000 -3.058) 3.259 9.480 ( 0.672 0.000 1.853) 1.972 9.638 ( 1.857 0.000 -0.717) 1.991 9.677 ( 3.016 0.000 -1.416) 3.332 10.026 ( 4.296 0.000 -1.353) 4.504 10.082 ( -9.272 0.000 4.741) 10.414 10.360 ( -7.536 0.000 -0.634) 7.563 10.585 ( 1.351 0.000 -1.324) 1.891 10.616 ( 1.154 0.000 -1.752) 2.098 10.995 ( 16.225 0.000 -0.583) 16.235 11.236 ( 7.984 0.000 0.736) 8.018 11.512 ( 0.688 0.000 0.913) 1.143 11.607 ( 1.927 0.000 -1.116) 2.227 12.566 ( -6.631 0.000 0.236) 6.635 12.594 ( -9.662 0.000 -0.116) 9.663 12.967 ( 2.166 0.000 -0.976) 2.376 13.180 ( -2.322 0.000 -2.455) 3.379 13.606 ( -6.251 0.000 0.223) 6.255 13.870 ( 2.092 0.000 0.606) 2.178 13.975 ( 5.252 0.000 1.033) 5.353 14.145 ( 0.170 0.000 0.397) 0.431 14.399 ( 0.387 0.000 -5.500) 5.514 14.501 ( -2.573 0.000 -10.228) 10.547 14.914 ( 5.242 0.000 -3.017) 6.048 15.326 ( 1.331 0.000 -3.541) 3.783 15.568 ( -5.750 0.000 -0.520) 5.773 15.629 ( 1.243 0.000 1.086) 1.650 15.750 ( 0.355 0.000 1.450) 1.493 16.013 ( 1.330 0.000 6.054) 6.198 16.192 ( -6.526 0.000 -1.813) 6.773 16.339 ( -8.220 0.000 -1.598) 8.374 16.962 ( 4.876 0.000 1.479) 5.095 17.072 ( 3.120 0.000 -0.124) 3.122 19.250 ( -4.549 0.000 2.436) 5.161 19.412 ( -0.928 0.000 -1.874) 2.092 20.887 ( 2.170 0.000 -0.167) 2.177 21.035 ( 2.691 0.000 0.116) 2.693 21.536 ( -11.204 0.000 -1.646) 11.324 21.853 ( -3.758 0.000 0.880) 3.860 22.827 ( 2.431 0.000 -2.766) 3.682 23.013 ( 9.282 0.000 0.993) 9.335 26.777 ( -15.619 0.000 2.313) 15.790 27.416 ( -22.169 0.000 -27.360) 35.214 28.695 ( 25.520 0.000 2.173) 25.612 29.193 ( 21.074 0.000 -0.764) 21.088 30.836 ( -12.616 0.000 4.427) 13.370 31.003 ( -6.282 0.000 5.326) 8.236 31.392 ( -6.710 0.000 1.330) 6.840 31.418 ( -2.661 0.000 2.863) 3.908 31.498 ( -5.963 0.000 4.972) 7.764 31.826 ( 2.106 0.000 -4.408) 4.885 32.116 ( 10.730 0.000 1.227) 10.800 32.282 ( 9.978 0.000 2.182) 10.214 33.092 ( -12.166 0.000 1.474) 12.255 33.244 ( -11.353 0.000 1.589) 11.464 33.767 ( 6.585 0.000 0.510) 6.604 33.999 ( 7.877 0.000 -2.260) 8.195 35.290 ( -3.761 0.000 1.677) 4.118 35.360 ( -0.003 0.000 -2.038) 2.038 35.817 ( -0.612 0.000 -0.687) 0.921 36.097 ( 1.958 0.000 -4.956) 5.329 36.238 ( 4.118 0.000 4.193) 5.877 36.586 ( 0.318 0.000 5.309) 5.318 37.552 ( -2.320 0.000 7.460) 7.813 38.375 ( 9.947 0.000 -3.408) 10.514 ======================= Grid point 55 (23/88) ======================= q-point: (-0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -16.535 0.000 24.783) 29.793 1.010 ( -26.744 0.000 18.789) 32.684 1.574 ( -26.457 0.000 22.197) 34.536 1.818 ( -1.877 0.000 -0.312) 1.903 1.957 ( -1.691 0.000 14.793) 14.890 2.130 ( 4.188 0.000 -1.681) 4.513 2.476 ( 4.957 0.000 -4.937) 6.996 2.525 ( 2.028 0.000 1.871) 2.759 2.617 ( 6.374 0.000 3.886) 7.465 2.907 ( -14.464 0.000 3.597) 14.904 3.021 ( -2.249 0.000 -1.134) 2.519 3.229 ( -2.196 0.000 6.180) 6.558 3.433 ( -3.608 0.000 2.074) 4.162 3.659 ( -7.631 0.000 2.628) 8.071 3.869 ( 3.208 0.000 1.544) 3.560 3.990 ( 7.164 0.000 -7.439) 10.328 4.252 ( 8.817 0.000 1.326) 8.916 4.373 ( -0.920 0.000 3.909) 4.016 4.596 ( 1.261 0.000 -4.885) 5.045 4.655 ( 3.454 0.000 -4.268) 5.491 4.722 ( 1.451 0.000 -2.771) 3.128 4.918 ( -4.903 0.000 -8.942) 10.198 4.997 ( -7.981 0.000 -7.895) 11.227 5.093 ( -2.007 0.000 -7.603) 7.864 5.191 ( 3.501 0.000 0.459) 3.530 5.275 ( 6.041 0.000 -6.058) 8.555 5.593 ( 1.681 0.000 -3.434) 3.823 5.684 ( 7.541 0.000 13.620) 15.568 5.748 ( -1.606 0.000 -1.515) 2.207 5.934 ( 6.864 0.000 2.026) 7.157 6.062 ( -2.376 0.000 3.491) 4.223 6.219 ( 0.694 0.000 0.006) 0.694 6.326 ( 2.038 0.000 1.386) 2.464 6.706 ( 8.749 0.000 4.116) 9.669 6.900 ( -0.590 0.000 2.896) 2.956 7.083 ( 4.007 0.000 -1.919) 4.443 7.367 ( -5.228 0.000 0.075) 5.229 7.529 ( -1.093 0.000 3.498) 3.665 7.819 ( 3.033 0.000 4.995) 5.844 7.913 ( 14.083 0.000 -0.534) 14.093 8.100 ( -5.794 0.000 -3.726) 6.889 8.455 ( -10.119 0.000 -1.272) 10.198 8.995 ( 6.627 0.000 4.286) 7.893 9.128 ( 3.465 0.000 1.140) 3.648 9.521 ( 3.103 0.000 -0.181) 3.108 9.664 ( 0.549 0.000 1.665) 1.753 9.744 ( 0.771 0.000 -3.026) 3.122 9.852 ( -8.944 0.000 4.419) 9.976 10.095 ( 0.280 0.000 -4.856) 4.864 10.259 ( -1.752 0.000 -0.765) 1.912 10.555 ( -2.377 0.000 3.367) 4.122 10.664 ( 2.243 0.000 -4.145) 4.713 11.327 ( 14.117 0.000 -0.923) 14.148 11.361 ( 5.856 0.000 0.149) 5.858 11.579 ( 5.271 0.000 2.131) 5.686 11.650 ( 2.401 0.000 0.262) 2.416 12.330 ( -14.004 0.000 1.482) 14.083 12.458 ( -5.900 0.000 -1.845) 6.181 13.016 ( 2.095 0.000 -1.537) 2.599 13.105 ( -4.878 0.000 -2.924) 5.687 13.519 ( -2.548 0.000 -0.610) 2.620 13.908 ( 0.900 0.000 2.346) 2.513 14.018 ( -16.377 0.000 -15.236) 22.368 14.076 ( 4.624 0.000 0.777) 4.689 14.290 ( -7.971 0.000 -7.162) 10.716 14.520 ( 2.162 0.000 -4.142) 4.673 15.033 ( 6.994 0.000 0.012) 6.994 15.347 ( 1.066 0.000 -0.497) 1.176 15.433 ( -5.716 0.000 -0.139) 5.718 15.612 ( -3.544 0.000 0.246) 3.552 15.825 ( -0.218 0.000 -0.996) 1.020 15.912 ( -0.377 0.000 0.286) 0.474 16.062 ( -10.760 0.000 -3.764) 11.399 16.289 ( 3.269 0.000 4.793) 5.801 17.035 ( 1.854 0.000 0.912) 2.067 17.126 ( 2.056 0.000 -0.480) 2.111 19.160 ( -4.282 0.000 2.080) 4.761 19.387 ( -1.091 0.000 -1.879) 2.172 20.947 ( 3.507 0.000 0.436) 3.534 21.089 ( 2.680 0.000 0.281) 2.695 21.333 ( -8.657 0.000 -0.891) 8.703 21.743 ( -6.969 0.000 -1.557) 7.141 22.890 ( 3.838 0.000 -1.518) 4.128 23.164 ( 4.936 0.000 -0.847) 5.008 26.513 ( -10.309 0.000 1.179) 10.377 26.835 ( -35.018 0.000 -27.500) 44.525 29.203 ( 24.504 0.000 1.786) 24.569 29.626 ( 18.768 0.000 -0.322) 18.771 30.617 ( -6.327 0.000 6.187) 8.849 30.883 ( -4.566 0.000 8.242) 9.422 31.285 ( -3.173 0.000 1.356) 3.450 31.379 ( 0.436 0.000 6.000) 6.015 31.426 ( -1.620 0.000 2.276) 2.793 31.756 ( -12.051 0.000 -12.587) 17.425 32.349 ( 12.255 0.000 3.329) 12.699 32.486 ( 11.040 0.000 -0.156) 11.041 32.839 ( -13.278 0.000 1.897) 13.413 33.049 ( -7.667 0.000 3.957) 8.628 33.873 ( 3.895 0.000 0.454) 3.921 34.123 ( 4.513 0.000 -2.525) 5.171 35.214 ( -3.368 0.000 1.632) 3.743 35.369 ( 0.751 0.000 -2.219) 2.343 35.807 ( -0.190 0.000 -0.909) 0.929 36.135 ( 2.040 0.000 -2.344) 3.108 36.296 ( 0.371 0.000 -0.176) 0.411 36.491 ( -11.118 0.000 -5.459) 12.386 37.721 ( 20.148 0.000 21.137) 29.201 38.537 ( 6.164 0.000 -4.053) 7.377 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.00 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.280 15.903 21.961) 27.115 1.042 ( 6.745 13.764 32.049) 35.526 1.418 ( -5.137 25.492 23.745) 35.214 1.807 ( 0.628 -0.507 -0.346) 0.878 2.023 ( -2.838 3.015 4.545) 6.148 2.274 ( -2.909 5.072 4.887) 7.620 2.364 ( 0.315 -0.501 5.387) 5.419 2.597 ( -2.095 1.247 -1.719) 2.983 2.795 ( -1.180 -0.375 -2.319) 2.629 2.844 ( 4.973 2.496 0.664) 5.604 3.039 ( -7.029 3.844 3.871) 8.898 3.184 ( 9.081 0.315 -3.812) 9.854 3.423 ( -1.468 1.317 -1.459) 2.453 3.482 ( -3.078 3.317 3.861) 5.948 3.944 ( 3.040 0.228 1.384) 3.348 4.138 ( 0.710 -1.141 -0.622) 1.481 4.218 ( -3.233 -3.515 -2.127) 5.228 4.295 ( -0.689 -4.117 0.833) 4.256 4.586 ( -2.752 4.255 -7.087) 8.713 4.617 ( -6.021 0.737 -6.011) 8.540 4.770 ( 1.921 2.378 -1.408) 3.365 4.873 ( 0.345 0.558 -5.532) 5.571 5.019 ( 1.663 -5.226 -5.457) 7.737 5.108 ( 1.806 7.646 -2.600) 8.275 5.179 ( 4.266 0.055 3.496) 5.515 5.505 ( 1.047 0.592 -4.407) 4.568 5.622 ( 6.653 5.206 -6.384) 10.589 5.762 ( -1.438 -0.247 2.296) 2.720 5.819 ( 3.344 2.222 0.252) 4.023 6.041 ( -1.009 2.595 2.551) 3.776 6.101 ( -1.586 2.164 1.887) 3.280 6.240 ( 2.526 4.920 3.411) 6.498 6.413 ( 2.126 1.118 0.237) 2.414 6.785 ( 0.467 -2.781 3.721) 4.669 6.869 ( -3.068 -4.793 3.680) 6.777 7.026 ( -5.795 1.005 5.186) 7.841 7.337 ( -0.522 3.080 0.090) 3.125 7.617 ( -5.285 4.552 -10.919) 12.957 7.804 ( -4.878 1.234 2.605) 5.665 8.055 ( 3.819 -2.564 -5.347) 7.053 8.161 ( 7.101 -2.454 0.821) 7.558 8.294 ( -2.999 0.950 -0.711) 3.225 9.005 ( 0.500 -6.645 2.887) 7.263 9.217 ( 2.348 0.361 2.401) 3.378 9.507 ( -4.995 -3.202 -3.715) 7.000 9.581 ( -1.018 -1.849 -0.629) 2.202 9.665 ( 1.100 -1.912 -0.201) 2.215 9.811 ( -2.053 -3.346 1.284) 4.130 10.048 ( 1.694 -3.901 -2.752) 5.065 10.251 ( 0.480 -1.765 -0.687) 1.954 10.498 ( -2.529 0.005 0.901) 2.685 10.680 ( 3.440 -4.331 -0.319) 5.540 11.388 ( 0.305 -1.962 0.568) 2.066 11.507 ( 2.046 -3.168 -0.185) 3.775 11.605 ( -1.472 -0.386 0.063) 1.523 11.704 ( 2.165 -1.731 3.187) 4.224 12.152 ( -1.554 1.473 0.854) 2.306 12.275 ( -2.978 -1.041 0.421) 3.183 13.020 ( 1.112 -0.058 -1.601) 1.950 13.072 ( 1.201 -0.760 -0.287) 1.450 13.509 ( 1.520 1.241 -1.445) 2.436 13.558 ( -1.661 0.616 -0.696) 1.903 13.950 ( -1.912 2.117 -1.479) 3.214 14.137 ( 2.070 -2.212 0.415) 3.057 14.332 ( -1.004 6.817 -6.838) 9.708 14.533 ( -2.479 0.340 -4.844) 5.452 15.197 ( 6.729 -0.205 2.230) 7.092 15.314 ( -0.641 2.584 0.809) 2.782 15.423 ( -0.254 -2.086 1.276) 2.459 15.512 ( -1.184 0.556 -1.873) 2.285 15.789 ( -2.311 -3.087 1.792) 4.252 15.844 ( -2.431 1.156 -0.614) 2.760 15.950 ( -1.962 -5.622 3.881) 7.108 16.143 ( 4.907 -6.375 7.181) 10.784 17.073 ( 0.953 1.386 0.702) 1.822 17.147 ( 0.281 0.159 0.403) 0.516 19.141 ( 0.049 2.693 1.102) 2.910 19.390 ( 2.120 -1.196 -0.451) 2.475 20.997 ( -0.785 1.193 -0.227) 1.446 21.118 ( -0.590 -0.617 -0.604) 1.046 21.327 ( -1.388 6.008 -3.111) 6.907 21.626 ( 0.079 -1.694 -0.071) 1.697 23.019 ( -0.749 4.916 -3.379) 6.012 23.178 ( -0.542 -0.097 1.058) 1.193 26.400 ( 0.311 -0.122 0.093) 0.347 26.419 ( 7.232 -0.823 0.384) 7.289 29.467 ( -1.723 -1.172 5.532) 5.911 29.809 ( -2.959 4.760 -8.883) 10.504 30.604 ( 5.931 -4.899 1.810) 7.903 30.691 ( -3.622 -13.621 11.358) 18.101 31.128 ( -3.156 -0.829 2.107) 3.885 31.280 ( -1.042 -1.960 0.612) 2.302 31.473 ( -5.677 2.993 -0.080) 6.418 31.697 ( 10.508 1.098 -3.727) 11.203 32.528 ( -5.239 0.313 0.898) 5.325 32.608 ( 2.987 -0.745 1.028) 3.246 32.687 ( 8.015 -1.705 2.588) 8.593 32.829 ( -5.021 -6.969 6.830) 10.974 33.935 ( 0.193 2.001 0.313) 2.034 34.174 ( 0.251 -0.518 -3.134) 3.186 35.225 ( -1.070 4.986 1.157) 5.229 35.448 ( 2.509 5.054 -2.390) 6.128 35.830 ( -2.693 -1.105 1.958) 3.509 35.917 ( -8.792 -1.622 1.666) 9.095 36.193 ( 1.748 -2.606 3.831) 4.952 36.427 ( -1.192 2.418 -1.843) 3.266 38.098 ( -0.356 2.295 -2.045) 3.094 38.560 ( 0.970 -4.808 -3.957) 6.302 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.14 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 14.270 17.269 8.666) 24.020 1.214 ( 14.923 20.976 10.678) 27.870 1.628 ( 12.585 2.760 24.624) 27.790 1.802 ( -0.341 -0.678 4.594) 4.656 1.984 ( 2.660 6.316 10.007) 12.129 2.223 ( 3.702 6.146 4.546) 8.494 2.395 ( 2.245 -1.750 4.187) 5.063 2.616 ( -0.655 3.603 1.045) 3.808 2.694 ( -1.536 4.192 -0.573) 4.501 2.886 ( -0.184 0.080 2.116) 2.126 3.017 ( 0.966 -1.046 -1.860) 2.342 3.285 ( -1.211 2.474 0.671) 2.835 3.451 ( 4.357 1.467 -2.018) 5.021 3.530 ( 2.540 6.279 5.179) 8.526 3.915 ( -1.942 -4.055 2.001) 4.921 4.037 ( -5.143 -2.996 -1.524) 6.144 4.191 ( -1.988 1.265 -5.475) 5.961 4.305 ( 0.676 -0.235 -0.978) 1.212 4.469 ( -3.264 1.956 -3.591) 5.232 4.613 ( -0.230 4.721 -5.418) 7.190 4.806 ( 0.114 1.348 -5.865) 6.019 4.858 ( -1.536 -0.718 -4.824) 5.113 5.014 ( 0.581 -5.688 -3.459) 6.682 5.106 ( -0.828 0.828 -2.224) 2.514 5.317 ( 5.562 3.115 4.147) 7.605 5.484 ( 1.263 2.226 3.143) 4.053 5.633 ( -5.016 0.485 3.214) 5.977 5.795 ( -5.860 -0.075 2.659) 6.435 5.834 ( -0.653 5.138 -9.840) 11.120 5.965 ( -0.096 1.543 -1.312) 2.028 6.131 ( 1.229 3.113 2.217) 4.014 6.266 ( -0.569 4.089 2.635) 4.897 6.346 ( -3.808 2.991 4.496) 6.608 6.691 ( -3.051 -10.144 6.223) 12.285 6.899 ( -0.100 2.206 -2.442) 3.292 7.003 ( 2.093 2.451 4.330) 5.397 7.371 ( 0.828 2.826 -0.485) 2.985 7.415 ( -5.661 4.869 -2.478) 7.867 7.712 ( -3.781 2.308 -0.314) 4.441 7.990 ( -11.178 0.249 -1.123) 11.238 8.211 ( 1.174 -0.584 0.995) 1.646 8.354 ( 8.046 -2.258 -2.637) 8.762 8.998 ( -0.788 -2.702 3.486) 4.480 9.230 ( -1.393 -0.115 3.851) 4.097 9.387 ( -2.982 0.649 -4.411) 5.364 9.566 ( -1.099 -3.335 -0.093) 3.513 9.721 ( 3.227 -3.701 -2.758) 5.632 9.774 ( -0.771 -5.135 2.160) 5.624 10.112 ( 3.283 -4.386 -1.912) 5.803 10.230 ( -2.365 -1.351 0.459) 2.762 10.480 ( 1.115 2.152 -1.774) 3.004 10.746 ( 2.165 -5.712 -0.144) 6.110 11.332 ( -6.577 -1.515 -0.357) 6.759 11.374 ( -12.793 -1.821 0.709) 12.941 11.515 ( -4.716 0.815 -0.058) 4.786 11.716 ( -1.332 -1.241 2.038) 2.733 12.294 ( 12.171 0.679 0.336) 12.195 12.391 ( 11.021 -0.966 -0.820) 11.093 13.003 ( -2.299 -0.117 -1.339) 2.663 13.118 ( 3.095 -3.125 -1.329) 4.594 13.562 ( 3.610 1.693 1.115) 4.140 13.738 ( 9.283 -2.757 -4.441) 10.653 13.935 ( 2.458 -1.277 -2.569) 3.778 14.136 ( -1.021 -2.723 -1.717) 3.377 14.344 ( 0.005 2.298 -6.819) 7.196 14.455 ( -3.683 -0.115 -4.725) 5.992 15.248 ( -2.005 0.580 -1.639) 2.654 15.271 ( -2.227 0.589 -3.477) 4.171 15.435 ( 2.658 0.389 2.821) 3.895 15.608 ( 1.111 0.082 1.400) 1.789 15.753 ( 5.066 -2.053 1.172) 5.590 15.805 ( -4.889 -3.921 2.533) 6.760 16.012 ( 10.465 -2.111 0.196) 10.677 16.250 ( 4.526 -3.626 2.726) 6.408 17.062 ( -2.404 1.152 1.834) 3.236 17.144 ( -0.998 -0.199 0.033) 1.018 19.173 ( 2.824 2.916 1.267) 4.252 19.433 ( 1.786 -0.929 -0.320) 2.039 20.966 ( -1.812 -0.331 0.517) 1.913 21.054 ( -4.209 -0.306 -1.526) 4.487 21.380 ( 6.697 4.745 -1.917) 8.428 21.708 ( 6.012 -1.559 -0.861) 6.270 22.924 ( -6.002 4.741 -2.442) 8.029 23.152 ( -3.521 -0.431 1.314) 3.782 26.495 ( 9.925 0.520 0.115) 9.939 26.959 ( 35.274 -16.269 -15.115) 41.682 29.195 ( -21.805 1.465 2.955) 22.053 29.498 ( -25.018 0.551 -0.955) 25.042 30.700 ( 8.035 -2.333 7.396) 11.167 30.782 ( 7.860 -2.174 5.298) 9.725 31.148 ( 4.880 1.645 0.354) 5.162 31.305 ( 3.766 0.669 0.702) 3.889 31.420 ( -0.132 1.619 0.702) 1.770 31.930 ( 7.801 -8.692 -5.393) 12.864 32.309 ( -11.149 0.318 -0.159) 11.155 32.495 ( -12.042 -4.940 4.161) 13.664 32.882 ( 11.687 -0.500 3.269) 12.146 32.978 ( 11.889 -4.124 2.913) 12.917 33.898 ( -3.849 1.822 0.379) 4.275 34.125 ( -4.820 -0.489 -2.696) 5.544 35.225 ( 1.047 4.729 0.092) 4.844 35.487 ( 0.938 5.190 0.425) 5.291 35.755 ( -0.002 -2.648 0.382) 2.675 35.897 ( 2.579 3.330 -0.464) 4.238 36.249 ( 3.466 -1.256 3.628) 5.173 36.397 ( -2.236 6.224 -2.098) 6.939 37.902 ( -12.525 5.426 6.047) 14.930 38.500 ( -6.934 -5.415 -4.384) 9.829 ======================= Grid point 58 (26/88) ======================= q-point: ( 0.29 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 6.211 16.040 2.641) 17.402 1.646 ( 6.743 -1.717 4.469) 8.270 1.746 ( 2.778 0.150 9.581) 9.976 1.861 ( 19.131 5.820 -3.410) 20.285 2.115 ( 5.809 4.930 13.343) 15.365 2.435 ( -0.218 -2.738 2.754) 3.889 2.487 ( 7.961 -1.970 10.384) 13.232 2.618 ( 7.802 4.972 5.655) 10.842 2.720 ( 4.715 9.656 -3.581) 11.326 2.886 ( 3.163 -1.493 4.122) 5.406 3.052 ( 4.890 7.138 -1.247) 8.742 3.201 ( -7.780 4.199 -1.652) 8.994 3.451 ( -4.140 9.410 6.850) 12.354 3.607 ( 4.481 2.000 -0.656) 4.951 3.871 ( 0.667 -4.312 -0.281) 4.372 4.013 ( -0.089 -3.080 -0.062) 3.082 4.156 ( -1.103 0.094 -6.833) 6.922 4.305 ( -2.502 1.430 -0.068) 2.883 4.424 ( -1.388 2.045 1.009) 2.670 4.550 ( -5.120 2.687 -4.234) 7.166 4.801 ( 0.259 -1.326 -4.649) 4.842 4.829 ( -0.207 -4.168 -5.216) 6.680 4.997 ( -1.236 -0.141 -0.284) 1.276 5.119 ( -1.174 -5.497 -0.475) 5.641 5.356 ( 1.707 6.974 -2.358) 7.557 5.490 ( -4.538 2.506 4.993) 7.198 5.572 ( -9.682 -1.768 2.428) 10.137 5.625 ( 5.938 -2.453 4.358) 7.763 5.785 ( -5.394 5.496 1.676) 7.881 5.927 ( -6.806 3.542 0.637) 7.699 6.117 ( 0.424 4.413 -2.451) 5.066 6.317 ( 2.719 2.107 2.162) 4.063 6.342 ( 1.174 1.306 1.562) 2.350 6.612 ( -5.692 -4.476 2.208) 7.570 6.891 ( 3.404 2.174 -6.012) 7.243 7.067 ( 2.238 1.004 1.166) 2.715 7.287 ( -2.311 1.373 0.158) 2.693 7.475 ( 0.957 -0.257 -4.317) 4.429 7.645 ( -5.401 3.468 0.658) 6.452 7.775 ( -5.302 2.757 0.669) 6.013 8.239 ( 1.981 0.366 1.303) 2.400 8.524 ( 8.422 -4.265 -3.144) 9.950 8.975 ( -1.853 -0.877 4.566) 5.005 9.183 ( -2.307 -2.022 -0.072) 3.068 9.390 ( 1.686 1.993 -1.083) 2.826 9.548 ( -0.407 -4.746 0.251) 4.770 9.736 ( -0.346 -5.400 0.262) 5.418 9.823 ( 3.234 -4.425 -2.251) 5.925 10.101 ( -2.250 -2.127 1.738) 3.550 10.240 ( 3.289 -1.452 -2.548) 4.406 10.502 ( -0.018 3.112 -3.276) 4.519 10.771 ( 0.542 -4.899 1.608) 5.185 11.097 ( -12.235 -1.869 2.238) 12.578 11.160 ( -10.738 -2.125 0.206) 10.948 11.481 ( 0.476 1.432 -0.946) 1.781 11.670 ( -2.798 -0.078 1.008) 2.975 12.523 ( 9.907 0.926 -0.959) 9.996 12.597 ( 8.750 -0.272 -0.002) 8.754 12.968 ( -0.955 0.805 -0.982) 1.589 13.170 ( 1.969 -3.370 -1.547) 4.199 13.652 ( 5.136 1.689 1.656) 5.655 13.804 ( 1.768 -0.959 -1.124) 2.305 13.942 ( -3.407 -2.575 -0.043) 4.271 14.131 ( -3.119 -0.309 0.732) 3.218 14.341 ( 1.746 -3.401 -8.899) 9.686 14.415 ( 1.402 -0.487 -6.567) 6.733 15.136 ( -6.944 -0.586 -5.402) 8.817 15.223 ( -3.616 -0.589 -0.070) 3.664 15.538 ( 6.015 2.250 1.933) 6.706 15.587 ( 0.075 0.539 0.315) 0.629 15.720 ( -2.877 -1.384 1.443) 3.504 15.894 ( 5.575 -2.353 3.285) 6.886 16.231 ( 8.721 -2.525 -0.770) 9.111 16.328 ( 4.924 -2.540 -1.049) 5.639 16.993 ( -4.322 1.112 2.593) 5.161 17.093 ( -3.913 -0.448 0.091) 3.939 19.244 ( 3.997 2.701 1.214) 4.974 19.457 ( 0.556 -0.233 0.010) 0.603 20.925 ( -2.280 -0.651 1.040) 2.589 20.989 ( -2.252 -0.817 -1.586) 2.874 21.554 ( 10.251 3.623 -1.911) 11.039 21.823 ( 5.249 -0.563 -0.125) 5.280 22.817 ( -4.483 3.240 -2.369) 6.017 23.041 ( -7.126 -0.479 1.630) 7.325 26.764 ( 16.372 1.790 0.694) 16.484 27.526 ( 21.848 -16.939 -16.517) 32.204 28.724 ( -24.284 2.904 1.234) 24.488 29.011 ( -21.781 -0.301 -1.098) 21.811 30.888 ( 8.977 -0.102 5.098) 10.324 30.946 ( 7.833 -1.298 4.132) 8.951 31.286 ( 8.319 1.135 -0.194) 8.398 31.395 ( 2.832 0.990 1.703) 3.450 31.466 ( 6.460 0.784 1.268) 6.630 31.935 ( -5.451 -3.863 1.234) 6.794 32.128 ( -7.605 -1.959 -2.373) 8.204 32.262 ( -11.337 -5.208 5.144) 13.495 33.110 ( 11.058 -0.301 2.238) 11.286 33.212 ( 11.702 -1.633 0.518) 11.826 33.792 ( -6.615 1.523 0.495) 6.806 33.996 ( -7.860 -0.685 -2.061) 8.154 35.262 ( 2.517 4.362 -1.136) 5.163 35.493 ( -0.146 3.712 3.426) 5.054 35.798 ( 2.943 -0.745 -2.460) 3.907 35.971 ( 4.457 0.907 -1.181) 4.699 36.291 ( -2.250 8.194 -3.103) 9.046 36.366 ( 2.157 1.078 4.161) 4.810 37.757 ( -2.276 1.277 6.940) 7.414 38.307 ( -11.541 -5.597 -4.471) 13.583 ======================= Grid point 59 (27/88) ======================= q-point: ( 0.43 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 4.989 2.081 4.271) 6.889 1.647 ( 0.448 -3.864 0.581) 3.933 1.769 ( 1.889 4.229 5.262) 7.011 2.113 ( -7.053 4.626 9.993) 13.077 2.232 ( -1.599 5.209 1.692) 5.705 2.406 ( 4.827 -3.427 2.846) 6.568 2.510 ( 9.531 4.899 11.980) 16.073 2.778 ( 0.973 5.378 -5.666) 7.872 2.892 ( 2.537 1.911 -0.425) 3.205 2.988 ( 4.151 2.157 -6.755) 8.217 3.132 ( -4.213 9.632 2.938) 10.916 3.244 ( 17.583 2.586 0.819) 17.791 3.346 ( -0.250 4.601 -3.030) 5.515 3.545 ( -5.897 10.612 -0.067) 12.141 3.963 ( -1.989 -6.136 0.232) 6.454 4.011 ( 2.051 -0.566 2.234) 3.085 4.181 ( 3.361 0.552 1.397) 3.681 4.259 ( 3.158 -3.855 1.654) 5.250 4.413 ( -0.612 2.394 3.607) 4.373 4.448 ( -4.142 -0.201 1.511) 4.413 4.786 ( -2.098 -4.281 -1.318) 4.946 4.833 ( 0.895 -1.681 -4.562) 4.944 4.992 ( -4.980 -0.893 0.113) 5.060 5.044 ( 2.204 -2.550 -0.455) 3.401 5.339 ( -7.793 -1.997 2.364) 8.385 5.417 ( -3.547 4.791 2.068) 6.310 5.519 ( 3.649 0.519 -0.227) 3.692 5.635 ( -6.464 1.649 3.079) 7.347 5.656 ( -1.983 8.867 4.655) 10.209 5.890 ( 3.806 -0.087 -1.114) 3.966 6.113 ( -2.243 3.457 -4.232) 5.907 6.289 ( -1.524 0.451 -0.665) 1.723 6.393 ( 0.846 2.764 1.618) 3.313 6.513 ( -4.231 0.887 -2.637) 5.064 6.997 ( 4.153 1.040 -4.195) 5.994 7.071 ( 0.197 0.109 -3.671) 3.678 7.262 ( -1.263 2.508 -0.647) 2.882 7.435 ( -0.714 -2.984 0.265) 3.079 7.545 ( -1.788 2.054 -0.774) 2.831 7.773 ( 0.459 2.184 1.318) 2.592 8.294 ( 2.916 0.411 1.293) 3.216 8.655 ( 4.527 -5.368 -2.999) 7.636 8.929 ( -2.849 -0.374 2.686) 3.933 9.154 ( -0.932 -1.890 -0.291) 2.127 9.417 ( 1.019 0.634 -1.133) 1.650 9.557 ( 1.102 -4.795 1.305) 5.090 9.741 ( -0.647 -2.619 2.484) 3.667 9.792 ( -3.174 -4.875 -3.045) 6.566 10.178 ( 9.061 -1.633 0.705) 9.234 10.306 ( 2.922 -1.885 -1.354) 3.731 10.468 ( -2.149 2.901 -3.509) 5.035 10.739 ( -4.800 -3.701 3.008) 6.767 10.907 ( -8.148 -1.980 -0.282) 8.390 11.007 ( -2.050 -2.592 2.073) 3.901 11.504 ( 1.423 1.087 -0.962) 2.032 11.621 ( -2.050 0.506 0.386) 2.147 12.655 ( 3.417 1.422 -1.624) 4.041 12.717 ( 3.390 0.497 0.235) 3.434 12.964 ( 0.171 0.865 -0.714) 1.135 13.193 ( 0.513 -2.649 -0.871) 2.836 13.744 ( 3.858 -1.062 0.722) 4.066 13.826 ( -1.687 -2.894 -0.540) 3.393 13.913 ( 1.486 2.260 1.453) 3.070 14.020 ( -4.274 1.868 1.111) 4.795 14.315 ( -1.588 -1.520 -2.862) 3.608 14.532 ( 6.125 -3.281 -9.056) 11.415 14.998 ( -6.693 -0.531 -6.391) 9.269 15.166 ( -0.434 -1.178 1.138) 1.694 15.591 ( 0.191 1.129 -0.446) 1.229 15.661 ( 4.350 -0.834 -0.692) 4.483 15.696 ( 1.562 -0.153 2.413) 2.878 15.932 ( -2.240 -3.588 4.315) 6.043 16.329 ( 3.169 0.155 -2.746) 4.197 16.451 ( 4.731 -2.182 0.053) 5.210 16.911 ( -3.513 1.086 2.509) 4.451 17.017 ( -2.940 -0.750 -0.341) 3.053 19.316 ( 2.798 2.124 1.019) 3.658 19.452 ( -0.970 0.247 -0.018) 1.001 20.887 ( -1.517 -0.101 0.769) 1.704 20.962 ( -0.287 -1.061 -1.029) 1.506 21.742 ( 7.671 2.547 -1.935) 8.311 21.886 ( 0.473 0.263 0.371) 0.656 22.765 ( -0.030 2.289 -0.774) 2.417 22.907 ( -5.645 0.044 1.132) 5.758 27.069 ( 11.423 2.627 1.705) 11.845 27.784 ( 4.220 -10.476 -10.496) 15.419 28.324 ( -13.576 2.517 0.928) 13.838 28.715 ( -5.910 -2.899 -6.740) 9.421 31.021 ( 3.823 -1.325 2.634) 4.828 31.065 ( 3.242 -2.042 3.670) 5.306 31.407 ( 1.520 1.048 3.041) 3.557 31.456 ( 5.521 0.367 -0.777) 5.587 31.626 ( 7.097 0.500 1.852) 7.352 31.826 ( -3.843 -0.017 3.232) 5.021 31.983 ( -6.543 -1.884 0.176) 6.811 32.070 ( -7.335 -4.096 4.737) 9.645 33.302 ( 7.203 -0.079 1.444) 7.347 33.415 ( 7.506 -0.929 -1.067) 7.638 33.664 ( -5.163 0.960 0.641) 5.290 33.837 ( -6.776 -0.686 -1.438) 6.961 35.312 ( 2.401 3.843 -1.981) 4.945 35.482 ( -1.380 3.008 3.853) 5.079 35.850 ( 2.354 1.738 -0.590) 2.985 36.052 ( 3.429 -1.193 -1.940) 4.116 36.204 ( -4.376 9.817 -3.857) 11.419 36.453 ( 4.894 0.166 6.329) 8.002 37.768 ( 0.285 -1.944 2.321) 3.041 38.097 ( -6.963 -5.812 -3.426) 9.695 ======================= Grid point 60 (28/88) ======================= q-point: (-0.43 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -2.840 -9.794 4.010) 10.957 1.629 ( -3.950 -7.069 -0.361) 8.105 1.841 ( -4.284 9.370 5.653) 11.752 1.981 ( 3.611 8.863 5.330) 10.954 2.152 ( -3.785 3.908 1.492) 5.641 2.397 ( -2.050 3.567 9.187) 10.066 2.568 ( -15.335 5.219 -5.351) 17.060 2.746 ( -6.139 3.714 9.905) 12.231 2.862 ( 1.042 0.025 -2.913) 3.094 2.973 ( 0.965 11.836 -1.185) 11.934 3.096 ( 0.617 2.434 -1.609) 2.982 3.357 ( 3.971 4.775 -2.124) 6.564 3.463 ( -1.195 1.941 6.549) 6.934 3.689 ( 12.291 2.257 -4.718) 13.358 3.909 ( -2.030 -5.066 1.538) 5.670 3.992 ( -1.088 0.218 1.722) 2.048 4.189 ( -4.275 0.459 1.485) 4.549 4.212 ( -4.772 1.753 6.075) 7.922 4.415 ( 1.468 1.913 1.234) 2.709 4.560 ( 12.362 -0.276 6.911) 14.166 4.749 ( -2.776 -3.275 -4.647) 6.327 4.841 ( 0.896 -4.277 -4.780) 6.476 4.910 ( -1.260 -3.975 0.524) 4.203 5.136 ( 2.168 -3.008 1.823) 4.132 5.212 ( -2.487 5.800 -6.095) 8.774 5.344 ( 0.672 2.311 0.448) 2.448 5.500 ( -4.832 -0.203 4.138) 6.366 5.639 ( 4.219 6.505 -0.160) 7.755 5.716 ( 5.558 4.152 3.582) 7.808 5.882 ( -5.131 2.587 -1.291) 5.890 6.061 ( -0.194 0.093 -5.878) 5.882 6.285 ( -1.826 1.960 2.716) 3.815 6.353 ( -2.640 0.761 -3.509) 4.457 6.470 ( 0.764 1.773 0.088) 1.933 6.999 ( 0.230 1.985 -4.471) 4.897 7.078 ( -2.264 4.081 -1.252) 4.832 7.322 ( 7.570 -1.134 -4.691) 8.978 7.472 ( 3.485 -3.166 4.928) 6.816 7.580 ( 4.751 0.907 -0.015) 4.837 7.746 ( -3.189 2.281 0.273) 3.931 8.312 ( -1.854 -0.301 1.673) 2.515 8.682 ( -2.342 -7.788 -2.666) 8.558 8.894 ( 0.318 0.892 1.842) 2.071 9.123 ( -2.379 0.652 -1.363) 2.818 9.438 ( 1.130 -2.688 -0.096) 2.918 9.571 ( 0.049 -4.514 0.428) 4.534 9.658 ( -2.950 -0.307 0.077) 2.967 9.860 ( 6.406 -4.165 0.122) 7.642 10.227 ( -5.594 -1.198 2.532) 6.256 10.430 ( 8.365 -4.219 0.197) 9.371 10.458 ( -0.626 0.036 -1.254) 1.402 10.628 ( -3.748 -1.123 -1.852) 4.329 10.816 ( 1.301 0.331 -0.736) 1.531 11.060 ( 5.897 -3.057 2.171) 6.988 11.519 ( -0.158 0.470 -0.532) 0.728 11.596 ( -0.319 0.708 -0.420) 0.883 12.665 ( -2.111 1.602 -1.257) 2.932 12.728 ( -2.708 0.409 0.500) 2.784 12.957 ( -0.555 0.663 -0.997) 1.319 13.185 ( -1.324 -2.635 -1.018) 3.120 13.749 ( -4.702 -0.187 0.501) 4.732 13.831 ( 1.952 -2.189 -0.571) 2.988 13.870 ( 0.085 0.879 0.606) 1.071 14.069 ( 3.740 -0.185 2.853) 4.708 14.332 ( 3.639 -0.760 -2.411) 4.431 14.572 ( -1.497 -1.682 -8.293) 8.593 14.897 ( -1.710 1.592 -5.237) 5.735 15.228 ( 5.370 -2.864 -1.047) 6.176 15.597 ( 0.714 0.720 -0.232) 1.040 15.651 ( -2.183 -0.216 -1.108) 2.457 15.792 ( 0.438 -0.421 1.684) 1.790 15.868 ( 0.620 -4.784 5.736) 7.495 16.323 ( -4.826 -0.262 -2.860) 5.616 16.453 ( -4.769 -1.977 0.506) 5.187 16.893 ( 2.107 1.123 1.554) 2.849 17.006 ( 1.820 -1.060 -0.415) 2.147 19.332 ( -1.658 1.584 1.748) 2.884 19.430 ( -0.943 0.326 -0.818) 1.290 20.871 ( 0.081 0.388 0.194) 0.441 20.978 ( 1.835 -1.055 -0.344) 2.144 21.762 ( -6.541 2.449 -1.532) 7.151 21.886 ( 0.599 0.679 0.549) 1.059 22.814 ( 2.426 1.492 0.473) 2.887 22.862 ( 3.589 0.711 -0.217) 3.665 27.080 ( -10.490 2.304 2.372) 10.998 27.677 ( -13.450 -8.289 -12.874) 20.380 28.318 ( 13.789 3.462 0.882) 14.244 28.802 ( 13.152 -4.657 -5.371) 14.950 31.013 ( -5.477 -1.694 2.388) 6.210 31.067 ( -2.511 -1.906 3.865) 4.987 31.407 ( -1.979 -0.557 2.798) 3.472 31.510 ( -0.575 -0.097 -0.510) 0.775 31.656 ( -5.167 1.313 4.294) 6.846 31.776 ( -0.834 -1.346 0.871) 1.807 31.956 ( 4.638 0.274 0.995) 4.751 32.061 ( 6.458 -3.117 4.080) 8.251 33.301 ( -7.450 0.343 0.886) 7.510 33.431 ( -6.822 -1.228 -0.172) 6.933 33.652 ( 4.716 1.082 0.292) 4.847 33.835 ( 6.703 -0.745 -1.564) 6.923 35.348 ( 1.174 3.459 -1.884) 4.110 35.439 ( -2.992 3.510 3.139) 5.579 35.881 ( 0.495 4.228 0.810) 4.333 36.078 ( -0.417 -1.016 -7.283) 7.365 36.171 ( 1.442 3.422 3.690) 5.235 36.546 ( 3.756 0.928 6.157) 7.272 37.679 ( -7.082 -0.640 -0.859) 7.162 38.126 ( 8.193 -5.750 -1.950) 10.197 ======================= Grid point 61 (29/88) ======================= q-point: (-0.29 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -15.730 -7.488 3.154) 17.705 1.498 ( -10.189 -1.104 5.134) 11.463 1.724 ( -3.651 2.843 6.564) 8.031 1.995 ( -6.290 9.567 0.121) 11.450 2.144 ( 1.176 9.453 1.739) 9.683 2.247 ( -3.083 2.950 4.160) 5.959 2.448 ( -7.813 2.808 5.887) 10.177 2.602 ( -4.567 7.354 1.030) 8.718 2.729 ( -4.967 2.309 7.655) 9.413 3.070 ( -0.302 2.387 1.417) 2.792 3.090 ( -3.926 3.455 3.859) 6.500 3.299 ( -4.747 3.341 12.256) 13.561 3.475 ( 3.705 3.687 0.966) 5.315 3.717 ( -4.079 -4.640 -2.472) 6.654 3.867 ( -8.288 -0.638 -1.290) 8.412 3.962 ( 2.340 0.985 3.857) 4.617 4.151 ( 3.193 6.757 -0.870) 7.524 4.330 ( 8.083 -1.064 -1.091) 8.226 4.445 ( 4.747 1.603 0.701) 5.059 4.670 ( -1.980 4.043 -1.929) 4.898 4.783 ( 1.365 -4.239 -2.246) 4.987 4.827 ( 4.203 -4.870 -5.926) 8.746 4.983 ( 5.390 -5.446 -3.496) 8.422 5.117 ( -2.466 -1.776 -3.945) 4.979 5.202 ( -1.459 5.174 -9.595) 10.999 5.301 ( -3.323 -0.869 2.455) 4.222 5.506 ( 3.222 0.284 -1.295) 3.484 5.655 ( -0.520 4.865 4.294) 6.509 5.800 ( 4.148 5.006 2.501) 6.966 5.917 ( 6.127 6.532 -2.211) 9.224 6.071 ( 1.740 -1.237 -2.420) 3.227 6.225 ( -2.541 3.955 4.573) 6.558 6.326 ( -0.240 0.370 -1.015) 1.106 6.538 ( 5.630 -0.627 2.927) 6.376 6.983 ( -3.872 3.294 0.444) 5.104 7.067 ( 3.844 4.832 -3.502) 7.099 7.441 ( 3.235 -2.275 -1.623) 4.275 7.547 ( -1.850 -2.054 2.824) 3.952 7.675 ( 6.449 1.526 0.538) 6.649 7.731 ( 5.712 1.732 0.941) 6.042 8.227 ( -6.317 -0.530 0.371) 6.350 8.569 ( -7.851 -7.527 -2.049) 11.068 8.930 ( 1.794 0.825 2.749) 3.384 9.091 ( 0.421 1.414 -1.776) 2.309 9.457 ( 1.301 -2.723 0.792) 3.120 9.595 ( 2.563 -4.503 -0.837) 5.248 9.640 ( 0.228 -2.206 0.178) 2.225 9.966 ( 1.566 -5.851 0.785) 6.108 10.095 ( -5.310 1.524 2.497) 6.062 10.335 ( -7.690 -2.596 0.027) 8.117 10.559 ( 3.966 -2.029 -2.721) 5.220 10.604 ( -0.707 -1.264 -1.637) 2.185 11.004 ( 15.494 0.835 0.001) 15.516 11.213 ( 8.623 -2.325 0.684) 8.957 11.512 ( 0.380 0.110 0.539) 0.668 11.608 ( 1.402 -0.068 -1.094) 1.780 12.572 ( -7.752 0.525 0.122) 7.771 12.595 ( -9.836 0.040 0.297) 9.840 12.968 ( 1.915 0.203 -1.223) 2.281 13.146 ( -2.547 -3.101 -2.143) 4.549 13.630 ( -6.169 2.063 0.063) 6.506 13.849 ( 1.279 -1.915 0.747) 2.421 13.954 ( 5.039 -1.920 0.812) 5.453 14.064 ( -4.438 -5.913 -2.000) 7.659 14.427 ( 4.825 1.865 -2.845) 5.904 14.521 ( -1.640 1.449 -7.941) 8.237 14.940 ( 5.106 2.568 -3.167) 6.535 15.306 ( 1.794 -2.006 -3.463) 4.385 15.571 ( -4.680 0.154 -0.689) 4.733 15.638 ( 1.046 0.625 0.672) 1.391 15.736 ( -0.221 -1.371 2.367) 2.744 15.966 ( 4.423 -4.860 8.194) 10.504 16.151 ( -10.836 -2.105 -3.000) 11.439 16.290 ( -10.942 -3.568 -1.582) 11.617 16.970 ( 4.501 0.732 1.260) 4.731 17.064 ( 3.459 -0.739 -0.304) 3.550 19.265 ( -4.568 1.505 2.237) 5.305 19.409 ( -1.401 -0.395 -1.327) 1.969 20.897 ( 2.607 0.998 0.046) 2.792 21.026 ( 2.841 -0.914 0.103) 2.986 21.582 ( -10.048 4.075 -1.230) 10.913 21.851 ( -4.423 -0.438 0.500) 4.473 22.858 ( 3.527 2.767 -2.120) 4.959 23.011 ( 8.687 -0.195 0.803) 8.726 26.789 ( -16.226 1.246 2.004) 16.396 27.295 ( -23.910 -10.169 -19.091) 32.242 28.741 ( 25.745 4.125 1.183) 26.100 29.149 ( 21.239 -3.915 -0.746) 21.610 30.835 ( -11.688 -0.005 3.368) 12.163 30.976 ( -6.854 -2.548 5.366) 9.070 31.324 ( -6.030 -2.215 1.257) 6.545 31.443 ( -5.474 -1.312 1.323) 5.783 31.540 ( -4.455 3.506 5.004) 7.562 31.796 ( 0.994 -3.058 -3.524) 4.771 32.119 ( 10.664 0.380 1.326) 10.753 32.235 ( 9.621 -3.227 2.826) 10.534 33.097 ( -12.178 0.483 1.246) 12.252 33.231 ( -11.552 -1.375 1.265) 11.703 33.782 ( 6.788 1.520 0.281) 6.961 33.993 ( 8.015 -0.844 -2.219) 8.359 35.336 ( -3.025 4.350 1.707) 5.566 35.397 ( -0.266 3.581 -1.027) 3.735 35.870 ( -1.256 4.714 -0.355) 4.892 36.077 ( 0.748 -2.403 -4.409) 5.077 36.212 ( 1.485 -1.879 6.013) 6.473 36.575 ( -1.960 -1.804 2.077) 3.378 37.621 ( 3.556 6.328 4.108) 8.340 38.319 ( 10.254 -5.339 -3.405) 12.051 ======================= Grid point 62 (30/88) ======================= q-point: (-0.14 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -10.737 3.698 21.792) 24.574 1.202 ( -16.780 13.345 13.630) 25.405 1.716 ( -7.634 8.484 3.712) 12.001 1.797 ( -9.613 4.326 9.533) 14.213 2.073 ( -6.077 6.127 13.073) 15.665 2.258 ( 3.205 9.989 3.901) 11.192 2.351 ( 1.553 -9.033 3.839) 9.937 2.577 ( 3.776 4.727 -3.105) 6.800 2.725 ( 0.082 8.124 0.712) 8.155 2.937 ( -8.955 1.395 8.458) 12.397 3.048 ( 0.997 5.349 -5.215) 7.537 3.239 ( -6.563 0.898 7.816) 10.245 3.480 ( -3.674 2.229 0.133) 4.299 3.633 ( -10.037 0.344 2.823) 10.432 3.778 ( 9.154 -5.862 0.080) 10.871 4.052 ( 4.778 4.063 -2.613) 6.794 4.219 ( 2.918 -2.411 0.786) 3.866 4.375 ( -2.392 -1.272 -0.242) 2.721 4.568 ( 2.448 -0.684 -5.095) 5.694 4.690 ( 4.544 2.147 1.033) 5.130 4.757 ( -0.008 3.764 -8.152) 8.979 4.893 ( -2.974 -4.474 -5.590) 7.753 4.979 ( 0.118 -3.898 -4.076) 5.641 5.077 ( -1.949 2.026 -6.329) 6.925 5.172 ( 0.951 1.078 -0.564) 1.544 5.360 ( 8.011 6.676 -9.699) 14.241 5.554 ( 2.403 -3.453 0.514) 4.238 5.723 ( 4.659 1.109 6.160) 7.803 5.828 ( -1.495 5.285 0.481) 5.513 6.015 ( 3.742 6.824 -1.515) 7.929 6.095 ( 0.474 2.692 3.109) 4.140 6.220 ( 0.814 1.253 0.851) 1.720 6.345 ( 2.390 1.323 2.172) 3.490 6.682 ( 7.732 -2.123 6.191) 10.130 6.910 ( -2.710 1.607 1.311) 3.413 7.141 ( -0.069 3.672 -0.784) 3.756 7.384 ( -5.173 1.884 -0.729) 5.554 7.551 ( 5.684 0.473 -1.523) 5.904 7.820 ( 4.033 0.167 3.132) 5.109 7.921 ( 13.107 0.786 2.155) 13.306 8.087 ( -6.668 -1.237 -3.235) 7.514 8.410 ( -7.600 -4.371 -1.200) 8.848 8.964 ( 2.269 -2.117 2.360) 3.899 9.142 ( 4.009 1.093 1.290) 4.351 9.502 ( 2.739 -2.360 -0.772) 3.697 9.620 ( -0.688 -5.177 1.867) 5.547 9.665 ( 1.234 -4.590 -1.949) 5.137 9.869 ( -6.306 0.076 3.003) 6.985 10.063 ( -1.569 -2.577 -3.469) 4.598 10.243 ( -0.874 -1.664 -0.392) 1.920 10.549 ( -2.631 -0.664 1.998) 3.370 10.638 ( 2.282 -2.448 -3.676) 4.971 11.316 ( 12.714 -0.908 -1.337) 12.816 11.350 ( 6.115 -1.102 0.051) 6.214 11.568 ( 4.738 -0.978 1.575) 5.088 11.643 ( 2.238 -0.869 0.273) 2.417 12.332 ( -13.534 0.272 1.400) 13.609 12.427 ( -8.560 -2.469 -0.596) 8.929 13.015 ( 2.123 -0.156 -1.639) 2.686 13.079 ( -3.585 -2.026 -2.219) 4.678 13.534 ( -3.238 1.383 -0.751) 3.600 13.780 ( -12.028 -8.445 -1.198) 14.745 13.966 ( -0.433 -0.960 -4.284) 4.411 14.064 ( 4.473 -1.607 0.199) 4.757 14.426 ( -5.384 7.501 -8.577) 12.603 14.532 ( 2.265 1.154 -4.330) 5.022 15.050 ( 6.153 1.705 0.241) 6.389 15.324 ( 0.779 -1.857 -0.970) 2.235 15.459 ( -4.875 2.088 -0.040) 5.304 15.622 ( -3.969 0.727 0.061) 4.036 15.792 ( 1.202 -3.327 1.640) 3.900 15.921 ( -3.317 0.657 -0.346) 3.399 16.037 ( -9.101 -2.476 -1.215) 9.509 16.092 ( -0.895 -11.886 8.220) 14.479 17.041 ( 2.418 0.687 0.977) 2.697 17.124 ( 2.286 -0.257 -0.216) 2.310 19.179 ( -3.732 1.917 1.836) 4.580 19.379 ( -1.010 -0.891 -1.007) 1.682 20.965 ( 3.612 1.407 0.253) 3.885 21.084 ( 2.887 -0.611 0.073) 2.952 21.408 ( -6.815 5.640 -1.354) 8.949 21.727 ( -7.533 -1.597 -1.206) 7.794 22.948 ( 5.367 4.555 -1.979) 7.313 23.153 ( 4.649 -0.962 -0.243) 4.754 26.513 ( -10.801 0.110 1.008) 10.848 26.736 ( -29.629 -7.027 -14.629) 33.783 29.231 ( 21.575 2.927 1.713) 21.840 29.597 ( 21.962 -2.404 -1.054) 22.118 30.610 ( -8.968 -0.604 4.341) 9.982 30.822 ( -8.353 -5.392 7.830) 12.656 31.212 ( -4.890 -2.856 1.595) 5.883 31.335 ( -4.627 -2.386 1.553) 5.432 31.503 ( 0.310 3.355 3.572) 4.911 31.738 ( -7.249 -1.622 -7.660) 10.670 32.350 ( 12.237 0.131 3.065) 12.615 32.436 ( 11.017 -3.039 1.407) 11.515 32.843 ( -13.357 0.439 1.743) 13.477 33.011 ( -10.660 -2.842 3.482) 11.568 33.892 ( 4.075 1.864 0.251) 4.488 34.122 ( 4.919 -0.604 -2.712) 5.649 35.267 ( -3.242 5.058 2.050) 6.348 35.411 ( 1.351 3.919 -2.068) 4.632 35.847 ( -0.813 3.259 -0.891) 3.475 36.078 ( -2.271 -4.739 -0.602) 5.290 36.204 ( -2.875 -5.722 6.147) 8.877 36.483 ( -5.141 -1.945 -2.642) 6.099 37.854 ( 17.968 9.363 5.986) 21.127 38.489 ( 6.488 -4.702 -4.151) 9.024 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.00 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 6.264 11.901 19.385) 23.594 1.368 ( 1.830 14.278 12.385) 18.989 1.694 ( -7.705 2.008 4.069) 8.941 1.854 ( -1.669 0.139 8.963) 9.118 2.095 ( 2.085 0.356 8.518) 8.776 2.254 ( 5.041 -0.766 12.633) 13.623 2.468 ( -0.389 6.024 1.532) 6.227 2.661 ( -3.939 4.346 -0.108) 5.867 2.760 ( 1.354 -0.404 -1.953) 2.411 2.899 ( -4.380 -1.588 3.221) 5.664 3.102 ( -0.204 8.217 2.116) 8.488 3.237 ( -3.156 7.048 -3.897) 8.650 3.441 ( 2.537 -0.716 -0.000) 2.636 3.707 ( -1.246 15.889 4.690) 16.613 3.887 ( 4.313 -8.682 -6.407) 11.620 4.076 ( -6.195 -1.445 4.677) 7.896 4.189 ( 1.917 -0.943 -3.986) 4.522 4.283 ( 1.021 3.152 0.498) 3.350 4.560 ( -4.051 -2.416 -3.113) 5.651 4.693 ( 0.490 2.140 -3.239) 3.913 4.780 ( 3.047 -5.251 -7.088) 9.332 4.853 ( -0.679 3.433 0.464) 3.530 4.936 ( -1.865 -3.364 0.629) 3.897 5.176 ( 4.025 -4.118 0.471) 5.778 5.292 ( -0.454 7.752 -2.704) 8.223 5.451 ( 2.228 -0.729 2.091) 3.142 5.712 ( 6.285 -1.632 -8.966) 11.071 5.743 ( 3.969 1.505 -6.946) 8.140 5.917 ( -1.470 9.951 -1.436) 10.161 6.126 ( -3.151 4.992 0.006) 5.903 6.178 ( 1.451 4.802 2.540) 5.623 6.329 ( 1.529 2.541 3.372) 4.491 6.423 ( 2.421 -0.499 4.945) 5.529 6.611 ( -7.955 -11.163 7.050) 15.414 6.892 ( 0.845 3.709 0.912) 3.911 7.029 ( -3.768 -1.322 3.211) 5.124 7.436 ( 0.174 5.994 -2.631) 6.548 7.630 ( -2.384 -2.121 -9.776) 10.283 7.833 ( -3.678 1.553 1.658) 4.323 7.979 ( 1.781 -4.679 -1.531) 5.235 8.122 ( 3.862 -0.093 2.711) 4.720 8.270 ( 1.059 -3.592 3.024) 4.813 8.943 ( 0.683 1.141 -0.057) 1.331 9.192 ( 1.871 -4.371 0.683) 4.803 9.414 ( -1.228 -3.580 -1.181) 3.964 9.509 ( 0.265 -4.583 -0.321) 4.601 9.662 ( 0.059 1.076 -1.935) 2.215 9.744 ( -4.592 -2.823 0.545) 5.418 9.987 ( 0.906 -0.907 -0.293) 1.315 10.166 ( -0.302 -6.463 0.151) 6.472 10.512 ( -0.409 1.363 -0.602) 1.545 10.600 ( 1.053 -3.184 0.170) 3.358 11.361 ( 0.149 -0.498 -0.919) 1.056 11.431 ( 1.323 -3.754 -0.603) 4.026 11.603 ( -0.577 0.354 0.276) 0.731 11.662 ( 1.013 -2.241 2.046) 3.199 12.186 ( -1.088 1.875 0.835) 2.323 12.254 ( -0.352 -1.246 0.425) 1.362 13.027 ( -0.351 0.617 -2.067) 2.186 13.056 ( 0.698 -0.805 -1.092) 1.526 13.539 ( 1.767 1.593 -1.747) 2.951 13.571 ( 0.755 0.350 -1.552) 1.761 13.984 ( -1.255 1.739 -2.184) 3.061 14.084 ( 1.022 -2.923 -0.287) 3.110 14.445 ( -3.734 4.339 -7.912) 9.765 14.534 ( -3.622 -0.406 -6.175) 7.171 15.210 ( 5.288 1.678 3.986) 6.831 15.315 ( 2.994 -2.253 5.200) 6.409 15.438 ( -2.511 2.881 -1.352) 4.054 15.512 ( -2.679 -0.610 -1.987) 3.391 15.749 ( -2.187 0.050 3.061) 3.762 15.844 ( -4.221 -1.941 -1.553) 4.898 15.907 ( 2.401 1.207 2.098) 3.409 16.038 ( 6.111 -4.777 5.322) 9.407 17.102 ( 0.884 1.475 0.692) 1.854 17.145 ( 0.479 -0.402 0.543) 0.828 19.207 ( 0.412 3.667 1.439) 3.961 19.348 ( 1.502 -2.809 1.140) 3.383 21.029 ( -0.976 1.843 -0.392) 2.122 21.099 ( -0.674 -1.309 -0.564) 1.577 21.430 ( -1.411 4.491 -1.596) 4.971 21.579 ( -0.228 -2.884 -0.105) 2.894 23.100 ( -0.484 3.173 -2.137) 3.856 23.172 ( 0.009 -0.601 0.447) 0.749 26.398 ( 0.163 -0.042 0.001) 0.168 26.406 ( 2.099 -0.489 0.188) 2.163 29.531 ( -1.942 6.601 0.923) 6.942 29.825 ( -2.665 -3.423 -8.950) 9.946 30.463 ( 3.534 -4.552 9.826) 11.391 30.540 ( -0.135 -5.065 3.951) 6.425 31.151 ( -0.570 2.143 0.500) 2.273 31.238 ( -0.145 -2.077 0.434) 2.127 31.536 ( -2.268 3.567 0.281) 4.237 31.682 ( 2.846 -2.372 -1.684) 4.070 32.539 ( -2.692 0.783 0.995) 2.975 32.588 ( 2.098 -1.283 0.385) 2.489 32.668 ( 4.636 0.112 2.735) 5.384 32.739 ( -4.802 -3.039 4.693) 7.370 33.992 ( 0.197 3.576 -0.377) 3.602 34.140 ( 0.214 -2.765 -2.371) 3.649 35.358 ( -1.376 7.896 1.790) 8.213 35.564 ( 3.850 4.956 -2.512) 6.760 35.745 ( -7.366 -4.054 4.929) 9.746 35.924 ( -1.156 -2.698 -2.703) 3.991 36.164 ( 2.261 2.514 6.702) 7.507 36.400 ( 1.235 -4.363 2.111) 5.002 38.172 ( -0.155 4.977 -4.966) 7.032 38.437 ( 0.268 -7.048 -4.727) 8.491 ======================= Grid point 64 (32/88) ======================= q-point: ( 0.14 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 6.880 5.288 6.458) 10.817 1.530 ( 11.114 14.689 11.851) 21.903 1.598 ( 0.037 -5.897 6.810) 9.009 1.837 ( 0.724 -0.796 7.756) 7.831 2.209 ( 7.502 -0.583 9.751) 12.316 2.308 ( 1.550 0.438 10.113) 10.241 2.465 ( -1.104 18.209 3.543) 18.583 2.610 ( -0.269 1.020 2.151) 2.395 2.749 ( 2.351 -2.464 1.437) 3.696 2.977 ( 6.514 1.162 1.303) 6.743 3.058 ( -0.555 14.283 -2.300) 14.477 3.304 ( 7.642 1.834 -5.727) 9.724 3.522 ( 1.734 -1.943 5.117) 5.741 3.670 ( -3.247 10.802 2.728) 11.605 3.849 ( -2.178 -5.271 -2.381) 6.180 4.033 ( 0.211 0.075 -0.074) 0.235 4.176 ( -4.115 0.688 -1.495) 4.432 4.327 ( 3.864 3.041 -2.331) 5.442 4.487 ( -2.908 -0.029 -0.889) 3.041 4.711 ( 0.282 4.871 -3.699) 6.123 4.791 ( -2.909 -6.281 -4.586) 8.303 4.842 ( -3.119 -1.242 -2.535) 4.207 4.898 ( 1.883 -1.028 -4.370) 4.868 5.119 ( -5.671 -1.898 3.745) 7.056 5.364 ( 3.711 -3.568 6.057) 7.949 5.490 ( 1.428 -0.073 -0.272) 1.455 5.622 ( -6.548 4.071 -2.100) 7.992 5.809 ( -5.319 2.200 -6.673) 8.812 5.982 ( 0.496 7.401 -3.480) 8.194 6.037 ( 1.746 5.816 -2.375) 6.521 6.200 ( 0.483 2.171 0.246) 2.238 6.330 ( -1.143 2.070 4.787) 5.339 6.397 ( -6.489 -0.360 4.118) 7.694 6.488 ( 1.631 -8.004 6.129) 10.213 6.948 ( 0.990 2.636 -2.084) 3.504 7.031 ( 3.174 0.141 1.884) 3.694 7.421 ( -4.032 2.360 -3.275) 5.705 7.491 ( -5.369 1.677 -3.818) 6.798 7.780 ( -0.994 4.509 1.232) 4.779 7.970 ( -6.077 -2.440 0.663) 6.582 8.181 ( 3.759 -1.530 1.711) 4.404 8.286 ( 2.054 -4.570 0.138) 5.012 8.976 ( 1.768 1.867 -0.461) 2.613 9.211 ( -0.849 -3.065 1.960) 3.736 9.373 ( -1.110 -1.768 -0.947) 2.293 9.470 ( -3.253 -4.791 -0.490) 5.812 9.656 ( -0.949 -1.992 -0.507) 2.264 9.694 ( 0.454 -2.549 -0.786) 2.705 10.043 ( 3.202 -1.642 -0.893) 3.708 10.163 ( 0.025 -5.029 -0.293) 5.038 10.525 ( 1.775 2.199 -1.217) 3.077 10.638 ( 2.209 -4.344 0.165) 4.876 11.302 ( -7.273 -1.263 -0.575) 7.404 11.327 ( -11.609 -2.398 -0.348) 11.859 11.541 ( -2.928 1.903 0.333) 3.508 11.666 ( 0.094 -3.511 1.438) 3.795 12.315 ( 11.608 1.388 0.364) 11.697 12.371 ( 10.387 -1.055 0.058) 10.441 13.007 ( -1.205 0.650 -1.608) 2.111 13.064 ( 0.862 -2.132 -1.232) 2.609 13.605 ( 4.648 2.369 0.494) 5.240 13.691 ( 7.881 -1.991 -1.590) 8.283 13.934 ( -2.194 1.223 -2.634) 3.640 14.063 ( -2.098 -4.209 -0.811) 4.772 14.390 ( -2.937 2.176 -6.582) 7.529 14.449 ( -3.635 -0.562 -5.716) 6.798 15.249 ( -1.435 0.457 1.257) 1.962 15.288 ( -5.543 0.032 -3.041) 6.322 15.474 ( 6.186 3.322 1.704) 7.225 15.599 ( 6.768 -1.775 1.601) 7.178 15.686 ( -1.721 -0.964 3.588) 4.095 15.774 ( -2.692 -1.576 -0.295) 3.134 16.018 ( 8.186 1.797 0.832) 8.422 16.159 ( 5.641 -4.883 3.013) 8.047 17.088 ( -2.384 1.410 1.243) 3.035 17.135 ( -1.624 -0.712 0.593) 1.869 19.244 ( 2.945 3.940 1.594) 5.171 19.394 ( 2.586 -2.869 1.443) 4.123 20.977 ( -3.259 1.248 -0.217) 3.497 21.038 ( -4.213 -1.233 -1.113) 4.529 21.482 ( 6.327 5.148 -1.436) 8.282 21.659 ( 6.671 -3.265 -0.766) 7.467 23.019 ( -6.163 4.354 -1.667) 7.728 23.135 ( -4.190 -1.401 0.593) 4.457 26.516 ( 11.873 1.758 0.026) 12.002 26.701 ( 23.768 -9.083 -2.930) 25.613 29.269 ( -21.145 5.410 -0.288) 21.828 29.475 ( -25.267 -2.918 -3.316) 25.650 30.658 ( 11.950 -1.478 4.798) 12.962 30.715 ( 12.114 -3.797 4.459) 13.455 31.191 ( 4.537 2.384 0.233) 5.131 31.284 ( 4.630 -2.078 0.840) 5.144 31.499 ( -0.862 5.589 0.271) 5.661 31.766 ( 4.131 -7.388 -1.172) 8.545 32.329 ( -11.683 1.572 0.906) 11.823 32.419 ( -12.248 -2.940 2.952) 12.937 32.874 ( 11.991 -0.019 2.410) 12.231 32.919 ( 13.102 -2.128 1.427) 13.350 33.952 ( -4.145 3.395 -0.286) 5.365 34.093 ( -4.699 -2.628 -2.133) 5.791 35.352 ( 0.677 7.548 0.549) 7.598 35.613 ( -2.344 4.739 2.730) 5.950 35.675 ( 3.798 -2.734 -1.663) 4.967 35.927 ( 1.246 -2.363 -0.966) 2.840 36.238 ( 4.766 2.489 5.895) 7.979 36.439 ( 2.149 -2.202 0.933) 3.215 38.033 ( -11.372 7.387 -2.180) 13.735 38.361 ( -7.622 -8.022 -4.704) 12.024 ======================= Grid point 65 (33/88) ======================= q-point: ( 0.29 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.011 -0.154 5.835) 5.837 1.551 ( -3.998 -6.949 4.305) 9.100 1.873 ( 11.609 6.952 9.574) 16.577 1.966 ( 17.595 2.690 -3.212) 18.087 2.265 ( -2.785 5.568 8.143) 10.251 2.359 ( 0.950 -1.909 3.350) 3.971 2.513 ( 6.287 3.771 7.883) 10.765 2.680 ( 8.095 0.990 6.419) 10.378 2.883 ( 8.360 4.934 1.238) 9.786 2.992 ( 1.311 12.383 -1.490) 12.541 3.163 ( 3.390 1.543 -3.105) 4.849 3.387 ( -1.523 12.957 3.182) 13.428 3.509 ( 0.649 0.553 -0.612) 1.049 3.661 ( 5.710 1.041 0.422) 5.819 3.876 ( 2.079 -2.069 4.863) 5.679 4.027 ( -2.162 9.583 2.106) 10.047 4.125 ( 1.053 -3.332 -3.636) 5.043 4.346 ( -3.460 1.934 -1.438) 4.216 4.441 ( -2.388 1.170 -3.561) 4.445 4.624 ( -9.553 2.682 -1.249) 10.001 4.701 ( -1.385 -3.331 -3.817) 5.252 4.782 ( -2.232 -3.727 -2.125) 4.836 4.948 ( 0.207 -5.315 -0.966) 5.406 5.048 ( -0.982 -0.437 1.580) 1.911 5.371 ( -2.799 -6.439 2.363) 7.409 5.424 ( -6.729 -9.129 0.617) 11.357 5.603 ( 1.954 8.690 1.633) 9.055 5.672 ( -1.512 4.929 -2.227) 5.616 5.907 ( -4.932 6.038 2.818) 8.290 6.028 ( -7.279 4.337 -1.982) 8.702 6.221 ( 1.893 5.411 -1.530) 5.934 6.336 ( 1.786 -0.301 0.151) 1.818 6.390 ( 2.928 2.778 2.397) 4.694 6.518 ( 0.488 -4.459 3.728) 5.833 6.953 ( 1.632 3.660 -5.227) 6.587 7.070 ( 0.262 -0.860 -2.483) 2.641 7.319 ( -2.962 2.104 0.665) 3.694 7.447 ( -2.444 -2.670 -2.628) 4.473 7.743 ( -6.312 5.252 0.399) 8.221 7.821 ( -4.078 1.609 1.249) 4.558 8.244 ( 3.258 0.246 0.962) 3.406 8.396 ( 7.280 -7.661 -1.480) 10.671 8.987 ( -0.778 2.797 0.435) 2.936 9.156 ( -3.517 -1.354 0.262) 3.778 9.399 ( 2.576 -2.337 0.535) 3.519 9.422 ( -1.271 -5.681 -0.440) 5.838 9.640 ( -0.045 -2.824 0.999) 2.996 9.723 ( 1.136 -4.897 -0.740) 5.081 10.078 ( 1.445 0.378 -0.481) 1.569 10.192 ( 2.925 -3.379 -1.431) 4.693 10.559 ( 0.886 2.400 -2.298) 3.439 10.670 ( 0.954 -4.331 0.501) 4.463 11.063 ( -12.681 -1.115 1.535) 12.822 11.107 ( -11.209 -2.767 0.280) 11.549 11.525 ( 0.544 2.923 -0.572) 3.028 11.650 ( -1.508 -2.060 0.489) 2.600 12.546 ( 10.349 1.224 -0.593) 10.438 12.587 ( 9.988 -0.672 0.061) 10.010 12.990 ( -0.386 1.401 -0.953) 1.738 13.092 ( 1.730 -3.828 -1.094) 4.341 13.690 ( 2.713 1.811 0.361) 3.282 13.774 ( 1.303 -2.138 -0.690) 2.597 13.919 ( 0.387 1.037 -0.210) 1.126 14.082 ( 3.538 -4.593 1.122) 5.905 14.308 ( -3.294 0.645 -7.290) 8.025 14.391 ( -2.071 -1.868 -5.188) 5.890 15.143 ( -7.082 1.417 -2.773) 7.736 15.211 ( -3.715 -0.820 -1.827) 4.220 15.585 ( 1.949 2.019 -0.158) 2.811 15.616 ( 2.401 2.429 1.487) 3.725 15.685 ( -1.568 -1.674 2.386) 3.310 15.820 ( 4.359 -4.759 2.938) 7.091 16.206 ( 9.587 0.077 -0.835) 9.624 16.271 ( 6.305 -2.692 0.058) 6.856 17.020 ( -4.297 1.476 1.514) 4.789 17.077 ( -4.106 -1.126 0.501) 4.287 19.311 ( 3.482 3.722 1.570) 5.333 19.437 ( 1.485 -1.841 1.134) 2.623 20.922 ( -2.240 0.432 0.280) 2.298 20.967 ( -2.648 -1.309 -1.125) 3.161 21.642 ( 9.126 4.719 -1.290) 10.354 21.795 ( 6.489 -2.315 -0.620) 6.918 22.896 ( -5.621 4.180 -1.213) 7.109 23.021 ( -6.743 -1.637 0.869) 6.993 26.826 ( 18.199 4.524 0.273) 18.755 27.190 ( 23.581 -14.694 -5.518) 28.327 28.803 ( -24.345 4.696 -0.668) 24.803 28.979 ( -23.160 -2.866 -2.436) 23.463 30.873 ( 8.869 -0.749 3.349) 9.510 30.914 ( 7.645 -1.955 3.982) 8.839 31.317 ( 7.671 1.879 0.331) 7.904 31.395 ( 5.062 -1.352 2.025) 5.617 31.520 ( 3.732 4.952 0.461) 6.218 31.805 ( -0.308 -7.925 0.978) 7.991 32.120 ( -9.455 0.955 -0.134) 9.504 32.188 ( -10.975 -2.440 3.518) 11.780 33.109 ( 11.491 0.436 1.254) 11.568 33.172 ( 12.296 -2.204 0.188) 12.493 33.838 ( -7.097 2.940 -0.138) 7.683 33.964 ( -7.874 -2.436 -1.691) 8.414 35.379 ( 1.851 6.895 -0.532) 7.159 35.570 ( -1.620 2.034 4.112) 4.865 35.775 ( 5.262 0.181 -3.308) 6.218 35.964 ( 2.295 -2.912 0.546) 3.747 36.351 ( 6.237 3.123 4.707) 8.415 36.464 ( -0.195 2.759 -2.046) 3.440 37.824 ( -8.011 5.598 1.029) 9.827 38.158 ( -11.839 -8.821 -4.320) 15.383 ======================= Grid point 66 (34/88) ======================= q-point: ( 0.43 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -3.638 -3.690 5.691) 7.697 1.490 ( -1.620 -8.584 4.538) 9.844 1.998 ( 3.680 9.016 2.207) 9.985 2.196 ( -4.095 1.043 5.686) 7.084 2.271 ( 1.239 2.175 4.278) 4.957 2.410 ( 9.354 3.154 0.329) 9.877 2.615 ( 4.251 6.631 6.805) 10.410 2.833 ( -0.082 -0.342 -5.167) 5.179 2.950 ( 5.001 3.355 -1.384) 6.179 3.077 ( 1.887 6.677 -1.828) 7.175 3.207 ( 6.110 -4.018 -0.573) 7.335 3.419 ( -1.151 10.102 1.746) 10.317 3.529 ( 8.339 14.468 -0.993) 16.729 3.727 ( -7.381 -3.368 3.585) 8.870 3.896 ( -1.102 9.418 3.988) 10.287 4.012 ( 4.341 1.137 1.194) 4.644 4.153 ( -0.699 -2.929 2.084) 3.663 4.276 ( -0.651 5.143 1.012) 5.282 4.364 ( -2.257 -3.289 1.762) 4.361 4.492 ( -3.066 0.687 3.937) 5.038 4.665 ( -2.627 -6.998 -5.640) 9.364 4.758 ( 0.283 -4.229 0.194) 4.242 4.967 ( 2.885 -2.403 0.228) 3.762 5.035 ( -1.197 1.165 -0.569) 1.765 5.249 ( -4.983 -3.730 -1.121) 6.324 5.414 ( 2.788 -9.285 0.950) 9.741 5.594 ( -3.593 7.645 -0.410) 8.457 5.680 ( -2.976 2.541 0.785) 3.991 5.837 ( -0.302 7.955 4.834) 9.314 5.913 ( -0.888 2.174 -1.692) 2.894 6.216 ( -4.104 5.759 -1.357) 7.200 6.329 ( -0.619 3.252 -2.129) 3.936 6.434 ( -0.546 1.159 2.285) 2.620 6.514 ( -0.510 -1.246 -1.116) 1.748 7.028 ( 4.170 1.679 -5.076) 6.780 7.069 ( 1.681 -0.205 -5.508) 5.763 7.302 ( -0.138 1.297 2.422) 2.752 7.379 ( -2.162 -2.531 0.583) 3.380 7.615 ( -3.963 4.765 -1.452) 6.365 7.786 ( -1.346 -1.435 -0.627) 2.065 8.312 ( 2.716 1.611 0.651) 3.224 8.507 ( 3.264 -8.036 -1.283) 8.768 8.952 ( -2.285 2.788 0.869) 3.708 9.110 ( -0.911 -2.844 -1.105) 3.185 9.401 ( -0.870 -2.428 -1.100) 2.804 9.451 ( 1.809 -4.785 1.069) 5.226 9.669 ( 3.039 -3.310 1.694) 4.802 9.706 ( -2.561 -3.154 0.822) 4.145 10.159 ( 6.748 0.140 -0.128) 6.751 10.254 ( 2.954 -3.216 0.141) 4.369 10.529 ( -3.624 3.116 -3.268) 5.790 10.662 ( -2.477 -3.643 -0.259) 4.413 10.873 ( -6.688 -0.935 0.871) 6.808 10.940 ( -3.338 -3.590 1.880) 5.250 11.541 ( 0.692 2.386 -0.697) 2.580 11.621 ( -1.311 -0.754 0.142) 1.519 12.689 ( 3.972 1.783 -1.230) 4.524 12.726 ( 3.785 0.215 0.068) 3.792 12.990 ( 0.157 1.825 -0.524) 1.905 13.121 ( 0.912 -4.214 -0.538) 4.345 13.720 ( 1.557 -0.886 -0.630) 1.899 13.764 ( -1.466 -2.916 -1.129) 3.454 13.982 ( 3.319 4.275 2.358) 5.904 14.060 ( -3.779 1.656 2.295) 4.721 14.283 ( -0.294 -1.077 -4.301) 4.444 14.430 ( 6.024 -6.408 -7.082) 11.292 15.011 ( -5.655 2.079 -3.941) 7.199 15.132 ( -2.948 -2.373 0.062) 3.785 15.615 ( 1.244 0.956 -0.360) 1.609 15.642 ( 0.572 -0.835 -0.342) 1.068 15.705 ( 2.854 1.334 2.156) 3.818 15.842 ( -2.116 -4.802 2.621) 5.866 16.340 ( 3.940 0.914 -1.926) 4.480 16.404 ( 5.068 -2.268 -0.095) 5.554 16.938 ( -3.385 1.515 1.345) 3.944 16.996 ( -3.277 -1.236 -0.016) 3.503 19.369 ( 1.932 2.855 1.324) 3.693 19.450 ( -0.298 -0.706 0.674) 1.020 20.890 ( -1.008 0.494 0.367) 1.181 20.936 ( -0.421 -1.477 -0.653) 1.669 21.803 ( 6.208 3.168 -1.055) 7.049 21.885 ( 2.000 -0.579 -0.014) 2.082 22.821 ( -1.336 2.967 -0.359) 3.273 22.902 ( -4.576 -0.750 0.668) 4.685 27.153 ( 11.813 5.903 0.873) 13.234 27.538 ( 9.530 -12.656 -4.987) 16.609 28.399 ( -13.428 4.828 -0.275) 14.272 28.629 ( -9.626 -5.388 -4.554) 11.935 30.993 ( 2.931 -1.064 3.080) 4.383 31.021 ( 2.881 -2.082 3.698) 5.129 31.437 ( 1.555 1.584 2.799) 3.572 31.466 ( 4.376 0.383 -0.226) 4.399 31.635 ( 5.470 0.858 1.232) 5.672 31.779 ( -1.700 -4.480 3.036) 5.673 31.968 ( -5.003 0.727 -0.288) 5.064 32.012 ( -6.073 -1.618 3.241) 7.071 33.307 ( 7.399 0.791 0.535) 7.460 33.382 ( 7.856 -2.219 -0.746) 8.198 33.698 ( -5.871 2.394 0.026) 6.340 33.808 ( -6.507 -2.207 -1.214) 6.978 35.415 ( 1.657 5.975 -1.092) 6.296 35.546 ( -1.293 2.192 3.776) 4.553 35.867 ( 4.115 0.615 -1.359) 4.377 36.008 ( 1.890 -3.557 1.398) 4.264 36.409 ( -4.380 8.730 -3.700) 10.445 36.480 ( 5.449 2.423 3.147) 6.742 37.741 ( -1.762 0.101 0.455) 1.823 37.947 ( -6.904 -8.359 -3.008) 11.251 ======================= Grid point 67 (35/88) ======================= q-point: (-0.43 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -4.020 -3.954 3.508) 6.641 1.466 ( -1.836 -8.993 4.117) 10.060 2.025 ( -6.852 4.184 0.918) 8.081 2.072 ( -0.787 0.011 3.368) 3.459 2.230 ( -3.955 8.942 4.461) 10.747 2.503 ( 1.302 5.857 5.420) 8.086 2.680 ( -5.061 2.283 0.255) 5.558 2.748 ( -3.089 0.537 -5.432) 6.272 2.964 ( -4.250 9.214 1.858) 10.316 3.091 ( -0.776 3.115 -0.951) 3.348 3.293 ( -1.239 0.572 -0.508) 1.457 3.428 ( 1.422 0.261 1.472) 2.063 3.557 ( -0.359 8.090 5.627) 9.861 3.652 ( -0.571 4.531 1.647) 4.854 3.919 ( -4.268 2.997 5.094) 7.291 4.024 ( 8.710 2.456 -3.425) 9.676 4.178 ( -3.928 -0.156 2.434) 4.623 4.231 ( 2.094 -1.878 1.870) 3.378 4.448 ( 3.273 2.082 4.792) 6.166 4.537 ( 9.230 -1.066 5.512) 10.803 4.631 ( 0.370 -4.560 -3.290) 5.635 4.807 ( 4.296 -2.816 -0.752) 5.192 4.931 ( -6.307 5.780 -1.365) 8.663 5.045 ( 1.520 -4.569 -0.131) 4.817 5.251 ( 3.578 -0.853 -1.371) 3.925 5.425 ( -4.918 -6.337 0.227) 8.025 5.484 ( -2.628 7.712 -4.843) 9.478 5.668 ( 3.353 -1.095 -1.853) 3.984 5.848 ( 0.094 5.481 4.702) 7.222 5.931 ( -0.069 1.389 1.775) 2.255 6.117 ( -2.635 5.569 -3.892) 7.288 6.319 ( -0.592 1.286 -1.755) 2.255 6.386 ( -2.889 2.771 0.701) 4.064 6.499 ( -0.567 0.033 -1.246) 1.369 7.054 ( 2.203 3.458 -5.365) 6.752 7.155 ( 2.494 1.912 -3.286) 4.546 7.304 ( 2.275 0.482 0.166) 2.331 7.416 ( 4.203 -2.544 5.109) 7.088 7.606 ( 3.048 2.166 -1.386) 3.988 7.755 ( -1.677 -1.944 -2.190) 3.374 8.318 ( -2.422 1.288 0.715) 2.835 8.507 ( -3.194 -8.309 -1.223) 8.985 8.929 ( 0.474 2.702 0.019) 2.744 9.107 ( 0.092 -3.029 -1.062) 3.211 9.375 ( -1.373 -2.229 -1.344) 2.943 9.471 ( 0.362 -5.191 1.134) 5.326 9.657 ( -1.858 0.386 1.816) 2.626 9.755 ( 4.871 -5.204 1.877) 7.371 10.218 ( -3.256 0.435 2.066) 3.881 10.325 ( 3.074 -4.992 2.744) 6.473 10.478 ( -0.041 1.700 -4.070) 4.411 10.585 ( -2.855 -2.899 -4.232) 5.871 10.840 ( 4.157 2.032 1.042) 4.743 10.980 ( 6.054 -4.498 1.808) 7.756 11.542 ( -0.613 1.752 -0.584) 1.946 11.601 ( -0.633 -0.377 -0.431) 0.853 12.702 ( -2.544 1.869 -0.895) 3.281 12.736 ( -3.053 0.229 0.485) 3.100 12.980 ( -0.950 1.775 -0.891) 2.201 13.113 ( -1.624 -4.183 -0.697) 4.541 13.735 ( -0.737 -0.758 -0.407) 1.132 13.776 ( 2.883 -2.733 -0.806) 4.053 13.922 ( -4.610 3.721 0.367) 5.936 14.052 ( -1.837 -1.707 1.687) 3.023 14.335 ( 5.937 1.681 -2.306) 6.587 14.508 ( 1.732 -4.611 -4.735) 6.832 14.950 ( 0.449 3.692 -4.121) 5.551 15.146 ( 4.262 -5.017 -0.759) 6.627 15.613 ( -1.150 0.829 -0.358) 1.462 15.648 ( -0.578 -0.257 -0.937) 1.130 15.771 ( -3.684 -2.001 2.224) 4.746 15.785 ( 4.356 -1.946 3.164) 5.725 16.329 ( -5.609 0.852 -2.017) 6.021 16.404 ( -5.465 -2.625 -0.089) 6.063 16.921 ( 1.949 1.542 0.767) 2.601 16.980 ( 1.826 -1.363 -0.391) 2.312 19.372 ( -1.899 2.177 1.592) 3.299 19.431 ( -1.428 -0.371 0.063) 1.477 20.886 ( 0.774 1.134 0.215) 1.389 20.950 ( 1.808 -1.672 -0.114) 2.465 21.820 ( -4.905 2.997 -0.655) 5.785 21.893 ( -0.716 -0.234 0.276) 0.802 22.848 ( 2.675 1.682 0.415) 3.187 22.876 ( 3.392 0.419 -0.203) 3.424 27.154 ( -11.648 5.173 1.116) 12.793 27.480 ( -14.055 -10.321 -6.520) 18.617 28.410 ( 14.661 5.595 -0.015) 15.693 28.681 ( 13.737 -6.965 -3.419) 15.776 30.985 ( -4.121 -0.778 2.896) 5.096 31.023 ( -2.843 -2.188 3.923) 5.316 31.419 ( -3.320 1.580 1.699) 4.050 31.494 ( -2.254 -1.425 0.599) 2.733 31.668 ( -2.336 -0.012 2.287) 3.269 31.725 ( -2.530 -3.128 1.697) 4.366 31.975 ( 5.112 1.450 0.991) 5.405 32.019 ( 6.538 -1.007 2.594) 7.105 33.313 ( -7.076 1.049 0.465) 7.168 33.394 ( -7.117 -2.345 -0.232) 7.497 33.688 ( 5.382 2.516 -0.230) 5.945 33.804 ( 6.296 -2.326 -1.363) 6.849 35.441 ( 0.979 5.306 -1.049) 5.497 35.518 ( -1.811 3.310 3.376) 5.063 35.934 ( 2.611 0.682 1.401) 3.041 36.026 ( -0.475 -3.490 0.601) 3.573 36.300 ( -5.494 8.607 -2.165) 10.438 36.552 ( 0.668 -1.273 1.206) 1.877 37.693 ( -0.931 2.766 -1.375) 3.226 37.973 ( 8.042 -8.830 -1.802) 12.078 ======================= Grid point 68 (36/88) ======================= q-point: (-0.29 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -5.158 1.022 3.065) 6.086 1.434 ( -0.558 -5.270 2.391) 5.814 1.838 ( -8.762 6.127 5.317) 11.941 2.092 ( -0.051 -8.457 6.008) 10.374 2.198 ( -2.149 12.195 -0.500) 12.393 2.375 ( -6.912 6.377 1.611) 9.542 2.510 ( -15.057 1.685 7.322) 16.827 2.710 ( -2.053 -4.199 1.900) 5.045 2.838 ( -4.296 9.952 5.826) 12.306 3.085 ( 2.490 6.376 2.801) 7.396 3.259 ( -5.810 -1.620 -0.128) 6.033 3.362 ( -3.874 3.124 6.488) 8.177 3.582 ( 0.528 6.782 -2.325) 7.189 3.652 ( -3.203 3.115 3.529) 5.693 3.881 ( 2.558 2.037 2.529) 4.134 4.028 ( -5.017 8.072 6.103) 11.295 4.180 ( 1.305 -5.461 -4.237) 7.034 4.365 ( 6.043 3.376 0.717) 6.959 4.472 ( 2.379 -0.267 -4.951) 5.500 4.658 ( 6.061 -3.717 3.171) 7.785 4.760 ( 4.734 -2.229 -0.227) 5.237 4.808 ( -2.000 3.639 -0.601) 4.196 4.880 ( 1.082 -0.931 -1.649) 2.181 5.073 ( 1.232 -1.812 -4.980) 5.441 5.273 ( -3.504 0.613 0.289) 3.569 5.333 ( 2.841 3.541 -6.600) 8.010 5.484 ( 0.339 -1.457 -4.678) 4.911 5.677 ( -2.466 -4.537 -0.309) 5.173 5.902 ( 5.107 4.410 2.099) 7.066 5.988 ( 7.114 1.897 -1.378) 7.491 6.127 ( 2.548 5.924 1.423) 6.604 6.290 ( -2.585 1.682 3.341) 4.547 6.357 ( 0.117 3.442 -1.946) 3.956 6.519 ( 3.011 -2.188 1.548) 4.031 7.083 ( -3.333 6.225 -1.064) 7.140 7.175 ( 4.167 5.010 -3.703) 7.495 7.379 ( 4.147 -3.128 -1.724) 5.473 7.485 ( 0.064 -4.413 3.639) 5.720 7.708 ( 6.689 1.884 0.322) 6.957 7.759 ( 4.301 0.559 -0.173) 4.341 8.224 ( -6.731 0.662 -0.037) 6.763 8.402 ( -6.413 -8.064 -1.028) 10.354 8.956 ( 1.166 2.202 -0.634) 2.571 9.108 ( 0.646 -0.767 -0.422) 1.088 9.372 ( 1.395 -4.130 -1.320) 4.554 9.473 ( -0.045 -6.582 1.586) 6.770 9.638 ( -0.178 1.918 1.472) 2.424 9.828 ( 1.712 -6.986 1.922) 7.445 10.134 ( -4.134 2.213 1.223) 4.846 10.262 ( -6.439 -4.165 0.623) 7.694 10.527 ( 3.374 -0.773 -3.480) 4.908 10.568 ( -0.385 -2.117 -2.005) 2.941 11.030 ( 13.723 1.821 0.632) 13.858 11.149 ( 10.152 -3.679 0.701) 10.820 11.525 ( -0.479 1.332 -0.145) 1.422 11.597 ( 0.204 -1.210 -1.049) 1.614 12.583 ( -9.719 0.527 0.103) 9.734 12.596 ( -10.382 -0.007 0.880) 10.419 12.979 ( 1.111 0.950 -1.520) 2.109 13.073 ( -1.959 -3.644 -1.591) 4.433 13.678 ( -5.408 2.590 -0.419) 6.011 13.799 ( -1.715 -3.022 0.242) 3.483 13.917 ( 2.999 -1.095 -0.087) 3.194 13.969 ( -3.318 -3.289 -2.320) 5.216 14.467 ( 6.377 2.202 -1.325) 6.876 14.536 ( 1.810 -0.216 -3.553) 3.994 15.014 ( 5.015 4.693 -3.211) 7.582 15.239 ( 3.606 -4.835 -2.962) 6.720 15.573 ( -3.148 0.112 -0.790) 3.247 15.621 ( -0.833 -2.458 -0.417) 2.629 15.732 ( -0.227 1.972 4.441) 4.865 15.868 ( 3.204 -4.073 5.939) 7.883 16.140 ( -11.990 0.657 -2.665) 12.301 16.221 ( -11.764 -3.162 -1.548) 12.280 16.991 ( 4.148 1.265 0.676) 4.389 17.044 ( 3.918 -1.179 -0.308) 4.103 19.307 ( -4.195 2.505 1.786) 5.202 19.393 ( -2.404 -1.267 -0.108) 2.720 20.925 ( 3.134 1.729 0.252) 3.588 21.000 ( 3.100 -1.640 0.163) 3.511 21.675 ( -8.612 4.786 -0.485) 9.864 21.826 ( -5.986 -2.176 0.102) 6.370 22.921 ( 5.224 3.137 -0.963) 6.169 23.002 ( 7.539 -0.805 0.366) 7.591 26.833 ( -17.978 3.304 0.868) 18.300 27.086 ( -23.585 -9.587 -7.886) 26.653 28.840 ( 25.712 5.395 0.110) 26.272 29.057 ( 22.783 -5.029 -1.094) 23.358 30.839 ( -10.435 0.535 2.429) 10.727 30.915 ( -8.352 -3.112 4.569) 10.016 31.317 ( -6.324 1.115 0.568) 6.447 31.401 ( -6.234 -2.423 1.236) 6.801 31.596 ( -3.304 2.171 3.321) 5.163 31.717 ( 0.020 -4.169 -1.276) 4.361 32.135 ( 10.190 1.210 1.364) 10.352 32.189 ( 9.683 -1.436 2.421) 10.084 33.112 ( -12.142 1.130 0.974) 12.233 33.192 ( -11.864 -2.336 0.893) 12.124 33.827 ( 7.252 2.974 -0.370) 7.847 33.959 ( 7.998 -2.599 -1.881) 8.617 35.446 ( -1.116 5.867 1.218) 6.095 35.487 ( -0.538 4.578 0.952) 4.707 35.949 ( -2.315 1.336 2.428) 3.610 36.003 ( -0.465 -4.171 -1.221) 4.371 36.214 ( -3.542 3.598 3.147) 5.950 36.496 ( -5.397 -6.004 -0.806) 8.113 37.782 ( 10.054 9.295 -0.682) 13.709 38.173 ( 11.000 -8.879 -3.380) 14.534 ======================= Grid point 69 (37/88) ======================= q-point: (-0.14 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -1.461 11.399 14.980) 18.881 1.419 ( -3.015 5.869 2.723) 7.138 1.744 ( -0.249 1.696 3.906) 4.266 2.035 ( -15.928 6.672 10.094) 20.002 2.096 ( 0.179 -6.562 7.936) 10.299 2.182 ( -3.713 3.202 9.006) 10.254 2.448 ( 3.741 5.145 3.190) 7.116 2.650 ( -0.957 -2.507 0.012) 2.683 2.826 ( -1.700 4.050 5.173) 6.786 3.022 ( -9.274 6.873 3.812) 12.156 3.164 ( -3.008 -2.181 -1.269) 3.926 3.285 ( -2.597 7.735 0.107) 8.160 3.508 ( -7.562 4.624 2.397) 9.182 3.713 ( 9.895 -0.489 -2.258) 10.161 3.787 ( -7.281 12.003 5.956) 15.250 4.103 ( 5.313 2.242 1.289) 5.909 4.170 ( 0.015 -3.833 -3.018) 4.879 4.328 ( -5.495 0.054 -0.950) 5.577 4.579 ( 3.446 -1.234 -5.556) 6.653 4.724 ( 0.762 -1.884 -2.414) 3.156 4.750 ( -3.771 -3.959 -5.016) 7.420 4.834 ( 2.989 0.081 3.347) 4.488 4.918 ( 3.979 0.609 0.305) 4.037 5.086 ( 1.305 -1.077 -4.419) 4.732 5.292 ( 3.271 8.200 -3.874) 9.641 5.409 ( 2.005 -3.792 0.134) 4.292 5.516 ( 7.226 1.725 -10.205) 12.623 5.689 ( 3.240 -4.466 -1.566) 5.735 5.966 ( -0.007 8.714 -0.137) 8.715 6.109 ( 3.741 2.901 -0.082) 4.735 6.167 ( 0.164 4.023 3.500) 5.335 6.277 ( 2.373 2.720 2.789) 4.561 6.377 ( 1.819 2.372 1.276) 3.251 6.607 ( 4.643 -6.126 6.225) 9.891 6.972 ( -6.248 4.652 -0.140) 7.791 7.170 ( -7.398 -1.567 1.178) 7.653 7.436 ( 0.100 3.058 -3.187) 4.418 7.530 ( 9.064 -1.706 -5.402) 10.689 7.830 ( 4.309 1.084 2.086) 4.908 7.926 ( 10.048 -1.312 4.410) 11.051 8.077 ( -6.580 1.527 -1.136) 6.849 8.292 ( -3.956 -6.888 -0.167) 7.945 8.952 ( -1.004 1.719 -0.772) 2.135 9.146 ( 2.675 -2.035 0.238) 3.370 9.409 ( 1.536 -5.228 -1.552) 5.666 9.482 ( 1.290 -6.172 1.741) 6.542 9.649 ( 1.031 1.909 0.215) 2.180 9.819 ( -2.394 -4.677 0.980) 5.345 10.038 ( -5.308 0.736 -0.574) 5.389 10.182 ( -1.537 -4.402 0.033) 4.663 10.534 ( -1.540 -0.422 -0.371) 1.639 10.585 ( 1.344 -2.453 -1.682) 3.264 11.298 ( 10.388 -0.634 -1.356) 10.495 11.322 ( 6.724 -1.533 -0.333) 6.904 11.554 ( 3.659 -0.078 0.807) 3.748 11.611 ( 1.766 -2.121 0.378) 2.785 12.343 ( -12.420 0.738 1.172) 12.497 12.384 ( -10.594 -1.616 0.386) 10.723 13.013 ( 1.969 0.111 -1.699) 2.603 13.044 ( -0.523 -1.330 -1.893) 2.371 13.570 ( -4.392 2.127 -1.285) 5.046 13.669 ( -8.638 -3.290 -1.492) 9.363 13.962 ( 2.910 0.422 -1.943) 3.524 14.023 ( 4.517 -2.224 -0.364) 5.048 14.530 ( -2.290 3.154 -5.161) 6.467 14.559 ( 1.509 1.269 -4.877) 5.260 15.105 ( 4.422 3.762 0.381) 5.818 15.276 ( 1.166 -3.219 -0.676) 3.490 15.502 ( -3.448 1.999 -0.044) 3.985 15.605 ( -3.371 -3.185 0.828) 4.711 15.745 ( 1.014 1.046 4.913) 5.124 15.921 ( 1.829 -5.378 6.228) 8.429 15.938 ( -6.022 0.805 -1.647) 6.294 15.998 ( -8.522 -1.955 -2.026) 8.975 17.063 ( 2.918 1.352 0.663) 3.284 17.113 ( 2.753 -0.821 0.051) 2.874 19.232 ( -2.980 3.165 1.623) 4.640 19.349 ( -1.552 -2.111 0.347) 2.643 20.997 ( 3.549 1.770 0.189) 3.971 21.065 ( 3.165 -1.307 0.041) 3.424 21.516 ( -6.767 4.997 -0.641) 8.436 21.680 ( -7.982 -3.033 -0.618) 8.561 23.035 ( 5.694 3.776 -1.293) 6.954 23.131 ( 4.696 -1.289 -0.006) 4.869 26.523 ( -12.251 0.964 0.446) 12.297 26.620 ( -20.696 -4.324 -4.369) 21.589 29.319 ( 20.453 5.497 0.191) 21.180 29.535 ( 24.413 -3.967 -2.270) 24.837 30.600 ( -12.819 -0.050 3.087) 13.185 30.707 ( -12.345 -5.348 5.418) 14.504 31.204 ( -4.565 1.358 0.580) 4.797 31.287 ( -4.640 -2.308 0.874) 5.255 31.559 ( -0.789 2.746 2.101) 3.547 31.692 ( -2.296 -3.030 -2.643) 4.630 32.356 ( 11.810 0.533 2.266) 12.038 32.395 ( 11.120 -1.310 1.536) 11.302 32.860 ( -13.221 1.333 1.626) 13.387 32.952 ( -12.343 -2.914 2.363) 12.901 33.946 ( 4.429 3.395 -0.420) 5.596 34.088 ( 4.939 -2.700 -2.234) 6.056 35.400 ( -2.777 7.567 2.702) 8.501 35.507 ( 2.054 4.681 -1.340) 5.284 35.873 ( -4.984 -1.711 1.938) 5.615 35.979 ( -3.080 -5.539 -1.138) 6.439 36.153 ( -1.971 2.672 6.392) 7.203 36.406 ( -2.447 -5.529 0.441) 6.063 38.030 ( 12.750 8.279 -2.656) 15.432 38.361 ( 7.451 -7.661 -4.463) 11.581 ======================= Grid point 70 (38/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 2.516 -8.658 6.489) 11.108 1.412 ( 2.516 8.658 6.489) 11.108 1.793 ( -4.976 -6.187 11.237) 13.759 1.793 ( -4.976 6.187 11.237) 13.759 2.127 ( 2.715 -7.508 14.385) 16.452 2.127 ( 2.715 7.508 14.385) 16.452 2.610 ( 1.746 -7.070 -2.382) 7.662 2.610 ( 1.746 7.070 -2.382) 7.662 2.838 ( -2.692 -3.888 -0.986) 4.831 2.838 ( -2.692 3.888 -0.986) 4.831 3.284 ( 4.096 -8.356 0.486) 9.318 3.284 ( 4.096 8.356 0.486) 9.318 3.586 ( -5.550 -16.221 -2.679) 17.352 3.586 ( -5.550 16.221 -2.679) 17.352 4.003 ( -1.943 -7.870 2.076) 8.368 4.003 ( -1.943 7.870 2.076) 8.368 4.256 ( 1.749 -6.635 1.153) 6.958 4.256 ( 1.749 6.635 1.153) 6.958 4.587 ( -0.553 -5.605 -2.320) 6.092 4.587 ( -0.553 5.605 -2.320) 6.092 4.835 ( 1.268 -4.573 -0.082) 4.746 4.835 ( 1.268 4.573 -0.082) 4.746 4.986 ( -0.751 -9.608 0.681) 9.662 4.986 ( -0.751 9.608 0.681) 9.662 5.426 ( 0.197 -5.153 -1.695) 5.429 5.426 ( 0.197 5.153 -1.695) 5.429 5.723 ( 7.667 -2.890 -11.168) 13.852 5.723 ( 7.667 2.890 -11.168) 13.852 6.154 ( 0.688 -7.533 1.460) 7.704 6.154 ( 0.688 7.533 1.460) 7.704 6.259 ( -3.182 -5.724 1.172) 6.653 6.259 ( -3.182 5.724 1.172) 6.653 6.447 ( -2.004 -4.226 6.554) 8.052 6.447 ( -2.004 4.226 6.554) 8.052 6.973 ( -1.439 -3.927 1.148) 4.337 6.973 ( -1.439 3.927 1.148) 4.337 7.553 ( -0.473 -5.233 -6.564) 8.408 7.553 ( -0.473 5.233 -6.564) 8.408 7.885 ( -1.228 -4.011 1.331) 4.401 7.885 ( -1.228 4.011 1.331) 4.401 8.176 ( 2.284 -4.729 4.132) 6.682 8.176 ( 2.284 4.729 4.132) 6.682 9.045 ( 1.295 -8.004 -1.784) 8.302 9.045 ( 1.295 8.004 -1.784) 8.302 9.422 ( 0.155 -3.345 1.165) 3.546 9.422 ( 0.155 3.345 1.165) 3.546 9.695 ( -2.156 -2.148 -1.633) 3.455 9.695 ( -2.156 2.148 -1.633) 3.455 10.035 ( -0.365 -5.365 0.510) 5.402 10.035 ( -0.365 5.365 0.510) 5.402 10.548 ( 0.496 -2.166 -0.232) 2.234 10.548 ( 0.496 2.166 -0.232) 2.234 11.373 ( 0.446 -1.795 -1.073) 2.138 11.373 ( 0.446 1.795 -1.073) 2.138 11.622 ( 0.173 -1.572 0.981) 1.861 11.622 ( 0.173 1.572 0.981) 1.861 12.223 ( -0.344 -1.738 0.572) 1.862 12.223 ( -0.344 1.738 0.572) 1.862 13.041 ( 0.066 -0.705 -1.772) 1.909 13.041 ( 0.066 0.705 -1.772) 1.909 13.565 ( 1.456 -0.889 -1.854) 2.520 13.565 ( 1.456 0.889 -1.854) 2.520 14.027 ( -0.199 -2.562 -1.400) 2.926 14.027 ( -0.199 2.562 -1.400) 2.926 14.509 ( -4.256 -2.175 -7.243) 8.677 14.509 ( -4.256 2.175 -7.243) 8.677 15.259 ( 3.799 -2.942 5.401) 7.229 15.259 ( 3.799 2.942 5.401) 7.229 15.488 ( -2.101 -1.822 -1.705) 3.262 15.488 ( -2.101 1.822 -1.705) 3.262 15.788 ( -2.950 -3.117 -0.165) 4.295 15.788 ( -2.950 3.117 -0.165) 4.295 15.955 ( 4.252 -3.304 3.446) 6.393 15.955 ( 4.252 3.304 3.446) 6.393 17.129 ( 0.698 -1.137 0.624) 1.473 17.129 ( 0.698 1.137 0.624) 1.473 19.282 ( 0.869 -3.665 1.654) 4.114 19.282 ( 0.869 3.665 1.654) 4.114 21.067 ( -0.864 -1.835 -0.494) 2.088 21.067 ( -0.864 1.835 -0.494) 2.088 21.513 ( -0.787 -3.720 -0.489) 3.834 21.513 ( -0.787 3.720 -0.489) 3.834 23.149 ( -0.130 -1.774 -0.623) 1.885 23.149 ( -0.130 1.774 -0.623) 1.885 26.399 ( 0.502 -0.204 0.022) 0.543 26.399 ( 0.502 0.204 0.022) 0.543 29.693 ( -2.072 -8.521 -4.227) 9.735 29.693 ( -2.072 8.521 -4.227) 9.735 30.455 ( 1.631 -2.813 5.926) 6.759 30.455 ( 1.631 2.813 5.926) 6.759 31.196 ( -0.224 -2.176 0.249) 2.202 31.196 ( -0.224 2.176 0.249) 2.202 31.614 ( 0.108 -3.990 -0.275) 4.001 31.614 ( 0.108 3.990 -0.275) 4.001 32.560 ( 0.378 -1.297 0.605) 1.480 32.560 ( 0.378 1.297 0.605) 1.480 32.690 ( -0.905 -1.867 3.180) 3.797 32.690 ( -0.905 1.867 3.180) 3.797 34.070 ( 0.213 -3.947 -1.379) 4.187 34.070 ( 0.213 3.947 -1.379) 4.187 35.520 ( -0.730 -7.454 1.700) 7.681 35.520 ( -0.730 7.454 1.700) 7.681 35.801 ( -1.690 -7.451 -0.257) 7.644 35.801 ( -1.690 7.451 -0.257) 7.644 36.279 ( 1.827 -7.025 4.573) 8.579 36.279 ( 1.827 7.025 4.573) 8.579 38.293 ( 0.024 -6.924 -5.295) 8.717 38.293 ( 0.024 6.924 -5.295) 8.717 ======================= Grid point 72 (39/88) ======================= q-point: ( 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.704 -6.928 5.776) 9.047 1.463 ( 0.704 6.928 5.776) 9.047 1.765 ( 4.088 -7.333 8.031) 11.618 1.765 ( 4.088 7.333 8.031) 11.618 2.216 ( 5.103 -4.157 11.926) 13.622 2.216 ( 5.103 4.157 11.926) 13.622 2.618 ( -0.983 -4.331 1.192) 4.598 2.618 ( -0.983 4.331 1.192) 4.598 2.883 ( 6.838 -8.902 0.102) 11.225 2.883 ( 6.838 8.902 0.102) 11.225 3.359 ( -0.205 -9.938 2.764) 10.318 3.359 ( -0.205 9.938 2.764) 10.318 3.548 ( 5.561 -17.435 -6.989) 19.590 3.548 ( 5.561 17.435 -6.989) 19.590 3.926 ( -5.164 -8.599 2.501) 10.337 3.926 ( -5.164 8.599 2.501) 10.337 4.313 ( 1.895 -6.513 2.218) 7.137 4.313 ( 1.895 6.513 2.218) 7.137 4.567 ( -0.866 -9.611 -2.826) 10.056 4.567 ( -0.866 9.611 -2.826) 10.056 4.823 ( -2.356 -3.968 -3.981) 6.094 4.823 ( -2.356 3.968 -3.981) 6.094 4.971 ( -1.135 -9.125 3.454) 9.823 4.971 ( -1.135 9.125 3.454) 9.823 5.388 ( -3.606 -6.156 -0.491) 7.151 5.388 ( -3.606 6.156 -0.491) 7.151 5.783 ( -2.603 -5.854 -6.395) 9.052 5.783 ( -2.603 5.854 -6.395) 9.052 6.152 ( -5.168 -4.596 1.052) 6.995 6.152 ( -5.168 4.596 1.052) 6.995 6.190 ( 3.882 -8.635 -0.955) 9.516 6.190 ( 3.882 8.635 -0.955) 9.516 6.426 ( -0.133 -2.875 5.547) 6.250 6.426 ( -0.133 2.875 5.547) 6.250 7.003 ( 2.413 -2.577 -0.517) 3.568 7.003 ( 2.413 2.577 -0.517) 3.568 7.474 ( -5.697 -2.623 -4.272) 7.588 7.474 ( -5.697 2.623 -4.272) 7.588 7.886 ( -0.238 -5.496 1.949) 5.836 7.886 ( -0.238 5.496 1.949) 5.836 8.197 ( 1.088 -3.282 1.866) 3.929 8.197 ( 1.088 3.282 1.866) 3.929 9.082 ( 1.797 -7.794 -1.422) 8.124 9.082 ( 1.797 7.794 -1.422) 8.124 9.388 ( -2.776 -3.218 1.592) 4.538 9.388 ( -2.776 3.218 1.592) 4.538 9.655 ( -1.356 -1.413 -1.207) 2.300 9.655 ( -1.356 1.413 -1.207) 2.300 10.065 ( 2.560 -3.713 -0.727) 4.568 10.065 ( 2.560 3.713 -0.727) 4.568 10.572 ( 1.787 -2.606 -0.280) 3.172 10.572 ( 1.787 2.606 -0.280) 3.172 11.294 ( -9.304 -0.647 -0.661) 9.350 11.294 ( -9.304 0.647 -0.661) 9.350 11.594 ( -0.827 -3.291 0.845) 3.497 11.594 ( -0.827 3.291 0.845) 3.497 12.346 ( 10.698 -1.499 0.277) 10.806 12.346 ( 10.698 1.499 0.277) 10.806 13.029 ( -0.571 -1.438 -1.535) 2.179 13.029 ( -0.571 1.438 -1.535) 2.179 13.651 ( 5.862 -2.103 -0.462) 6.245 13.651 ( 5.862 2.103 -0.462) 6.245 13.982 ( -2.988 -3.474 -1.852) 4.942 13.982 ( -2.988 3.474 -1.852) 4.942 14.428 ( -3.720 -1.523 -6.187) 7.378 14.428 ( -3.720 1.523 -6.187) 7.378 15.271 ( -3.131 -1.393 0.212) 3.433 15.271 ( -3.131 1.393 0.212) 3.433 15.543 ( 7.066 -3.220 1.604) 7.929 15.543 ( 7.066 3.220 1.604) 7.929 15.721 ( -3.436 -3.213 0.592) 4.741 15.721 ( -3.436 3.213 0.592) 4.741 16.072 ( 7.004 -3.574 1.979) 8.109 16.072 ( 7.004 3.574 1.979) 8.109 17.115 ( -2.159 -1.252 0.904) 2.655 17.115 ( -2.159 1.252 0.904) 2.655 19.324 ( 2.949 -3.942 1.928) 5.287 19.324 ( 2.949 3.942 1.928) 5.287 21.008 ( -3.968 -1.639 -0.719) 4.353 21.008 ( -3.968 1.639 -0.719) 4.353 21.580 ( 6.640 -4.501 -0.892) 8.071 21.580 ( 6.640 4.501 -0.892) 8.071 23.092 ( -5.164 -2.892 -0.440) 5.935 23.092 ( -5.164 2.892 -0.440) 5.935 26.573 ( 15.974 -4.186 -0.488) 16.520 26.573 ( 15.974 4.186 -0.488) 16.520 29.386 ( -23.306 -5.660 -2.641) 24.128 29.386 ( -23.306 5.660 -2.641) 24.128 30.657 ( 13.200 -1.574 4.244) 13.955 30.657 ( 13.200 1.574 4.244) 13.955 31.239 ( 4.489 -2.348 0.391) 5.081 31.239 ( 4.489 2.348 0.391) 5.081 31.625 ( 0.895 -6.777 0.076) 6.836 31.625 ( 0.895 6.777 0.076) 6.836 32.368 ( -11.879 -2.241 1.687) 12.206 32.368 ( -11.879 2.241 1.687) 12.206 32.886 ( 12.576 -1.174 1.509) 12.720 32.886 ( 12.576 1.174 1.509) 12.720 34.026 ( -4.460 -3.774 -1.232) 5.970 34.026 ( -4.460 3.774 -1.232) 5.970 35.511 ( -0.085 -7.872 1.153) 7.956 35.511 ( -0.085 7.872 1.153) 7.956 35.805 ( 1.817 -8.335 -0.312) 8.536 35.805 ( 1.817 8.335 -0.312) 8.536 36.343 ( 4.247 -6.334 4.140) 8.678 36.343 ( 4.247 6.334 4.140) 8.678 38.193 ( -9.212 -8.409 -4.576) 13.286 38.193 ( -9.212 8.409 -4.576) 13.286 ======================= Grid point 74 (40/88) ======================= q-point: ( 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.698 -4.584 5.866) 8.313 1.426 ( -3.698 4.584 5.866) 8.313 1.963 ( 13.045 -2.619 3.575) 13.777 1.963 ( 13.045 2.619 3.575) 13.777 2.322 ( 3.033 -2.387 3.341) 5.104 2.322 ( 3.033 2.387 3.341) 5.104 2.622 ( 4.717 -5.710 7.040) 10.218 2.622 ( 4.717 5.710 7.040) 10.218 3.021 ( 3.745 -6.687 -1.576) 7.825 3.021 ( 3.745 6.687 -1.576) 7.825 3.330 ( -0.394 -12.625 3.475) 13.101 3.330 ( -0.394 12.625 3.475) 13.101 3.695 ( 4.357 -11.562 0.856) 12.385 3.695 ( 4.357 11.562 0.856) 12.385 3.882 ( 4.321 -13.185 -3.383) 14.282 3.882 ( 4.321 13.185 -3.383) 14.282 4.301 ( -3.485 -6.997 3.544) 8.583 4.301 ( -3.485 6.997 3.544) 8.583 4.536 ( -2.819 -9.423 -2.664) 10.190 4.536 ( -2.819 9.423 -2.664) 10.190 4.727 ( -6.756 -2.040 -3.916) 8.071 4.727 ( -6.756 2.040 -3.916) 8.071 4.959 ( 0.307 -7.098 3.681) 8.002 4.959 ( 0.307 7.098 3.681) 8.002 5.299 ( -4.465 -2.278 -1.632) 5.272 5.299 ( -4.465 2.278 -1.632) 5.272 5.717 ( -1.463 -1.767 0.269) 2.310 5.717 ( -1.463 1.767 0.269) 2.310 6.030 ( -6.709 -4.571 -0.146) 8.119 6.030 ( -6.709 4.571 -0.146) 8.119 6.306 ( 5.264 -2.989 -1.910) 6.347 6.306 ( 5.264 2.989 -1.910) 6.347 6.443 ( 1.195 -3.008 4.010) 5.153 6.443 ( 1.195 3.008 4.010) 5.153 7.027 ( 0.673 -3.338 -4.311) 5.494 7.027 ( 0.673 3.338 -4.311) 5.494 7.378 ( -3.655 -3.619 -0.736) 5.196 7.378 ( -3.655 3.619 -0.736) 5.196 7.822 ( -5.692 -2.029 1.089) 6.140 7.822 ( -5.692 2.029 1.089) 6.140 8.273 ( 5.943 -3.598 -0.093) 6.948 8.273 ( 5.943 3.598 -0.093) 6.948 9.083 ( -1.878 -5.767 -1.021) 6.150 9.083 ( -1.878 5.767 -1.021) 6.150 9.359 ( 0.217 -1.552 1.180) 1.961 9.359 ( 0.217 1.552 1.180) 1.961 9.644 ( 0.130 -2.636 0.472) 2.681 9.644 ( 0.130 2.636 0.472) 2.681 10.119 ( 3.014 -3.359 -1.330) 4.705 10.119 ( 3.014 3.359 -1.330) 4.705 10.605 ( 1.167 -2.438 -0.782) 2.814 10.605 ( 1.167 2.438 -0.782) 2.814 11.064 ( -12.122 -1.252 0.713) 12.207 11.064 ( -12.122 1.252 0.713) 12.207 11.592 ( 0.029 -3.431 -0.053) 3.432 11.592 ( 0.029 3.431 -0.053) 3.432 12.569 ( 10.556 -1.098 -0.170) 10.614 12.569 ( 10.556 1.098 -0.170) 10.614 13.028 ( 0.481 -2.497 -0.926) 2.706 13.028 ( 0.481 2.497 -0.926) 2.706 13.728 ( 0.851 -2.166 -0.590) 2.401 13.728 ( 0.851 2.166 -0.590) 2.401 13.981 ( 3.991 -4.648 0.416) 6.140 13.981 ( 3.991 4.648 0.416) 6.140 14.346 ( -4.131 -2.477 -5.508) 7.317 14.346 ( -4.131 2.477 -5.508) 7.317 15.182 ( -5.457 -2.016 -1.990) 6.149 15.182 ( -5.457 2.016 -1.990) 6.149 15.623 ( -0.326 -1.757 0.362) 1.824 15.623 ( -0.326 1.757 0.362) 1.824 15.719 ( 3.413 -4.782 2.596) 6.423 15.719 ( 3.413 4.782 2.596) 6.423 16.226 ( 8.295 -1.727 -0.230) 8.476 16.226 ( 8.295 1.727 -0.230) 8.476 17.050 ( -4.241 -1.505 0.900) 4.589 17.050 ( -4.241 1.505 0.900) 4.589 19.384 ( 2.662 -3.328 1.708) 4.592 19.384 ( 2.662 3.328 1.708) 4.592 20.940 ( -2.609 -1.260 -0.502) 2.941 20.940 ( -2.609 1.260 -0.502) 2.941 21.731 ( 7.921 -3.972 -0.869) 8.904 21.731 ( 7.921 3.972 -0.869) 8.904 22.972 ( -6.296 -3.201 -0.099) 7.064 22.972 ( -6.296 3.201 -0.099) 7.064 26.956 ( 21.042 -8.801 -1.175) 22.839 26.956 ( 21.042 8.801 -1.175) 22.839 28.901 ( -24.167 -4.729 -1.935) 24.701 28.901 ( -24.167 4.729 -1.935) 24.701 30.877 ( 8.454 -1.245 3.387) 9.191 30.877 ( 8.454 1.245 3.387) 9.191 31.358 ( 6.719 -2.068 1.012) 7.103 31.358 ( 6.719 2.068 1.012) 7.103 31.648 ( 1.475 -7.414 0.946) 7.618 31.648 ( 1.475 7.414 0.946) 7.618 32.149 ( -10.197 -1.717 1.508) 10.450 32.149 ( -10.197 1.717 1.508) 10.450 33.131 ( 11.985 -1.699 0.475) 12.114 33.131 ( 11.985 1.699 0.475) 12.114 33.904 ( -7.580 -3.398 -0.970) 8.364 33.904 ( -7.580 3.398 -0.970) 8.364 35.517 ( 0.480 -6.080 0.792) 6.150 35.517 ( 0.480 6.080 0.792) 6.150 35.857 ( 3.176 -6.464 0.243) 7.206 35.857 ( 3.176 6.464 0.243) 7.206 36.439 ( 4.873 -4.200 1.972) 6.729 36.439 ( 4.873 4.200 1.972) 6.729 37.974 ( -11.394 -8.900 -3.044) 14.775 37.974 ( -11.394 8.900 -3.044) 14.775 ======================= Grid point 76 (41/88) ======================= q-point: ( 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -3.403 -3.919 5.535) 7.588 1.355 ( -3.403 3.919 5.535) 7.588 2.118 ( -0.313 -5.176 2.723) 5.857 2.118 ( -0.313 5.176 2.723) 5.857 2.391 ( 6.717 -5.060 1.250) 8.502 2.391 ( 6.717 5.060 1.250) 8.502 2.769 ( 2.873 -6.270 2.203) 7.240 2.769 ( 2.873 6.270 2.203) 7.240 3.044 ( 5.161 -6.060 -3.366) 8.642 3.044 ( 5.161 6.060 -3.366) 8.642 3.331 ( -2.533 -12.563 1.239) 12.876 3.331 ( -2.533 12.563 1.239) 12.876 3.728 ( 0.754 -4.851 7.593) 9.042 3.728 ( 0.754 4.851 7.593) 9.042 4.026 ( 5.500 -5.332 -2.793) 8.154 4.026 ( 5.500 5.333 -2.793) 8.154 4.183 ( -6.594 -7.394 3.258) 10.430 4.183 ( -6.594 7.394 3.258) 10.430 4.473 ( -1.702 -3.265 0.741) 3.755 4.473 ( -1.702 3.265 0.741) 3.755 4.632 ( -0.815 -7.047 -1.146) 7.186 4.632 ( -0.815 7.047 -1.146) 7.186 4.990 ( 1.927 -5.127 -0.087) 5.478 4.990 ( 1.927 5.127 -0.087) 5.478 5.248 ( -0.267 -4.804 -1.288) 4.981 5.248 ( -0.267 4.804 -1.288) 4.981 5.694 ( -2.883 -1.951 -0.236) 3.489 5.694 ( -2.883 1.951 -0.236) 3.489 5.934 ( -1.943 -1.449 2.034) 3.164 5.934 ( -1.943 1.449 2.034) 3.164 6.330 ( -2.943 -4.817 -0.393) 5.659 6.330 ( -2.943 4.817 -0.393) 5.659 6.467 ( 0.937 -2.882 -0.134) 3.033 6.467 ( 0.937 2.882 -0.134) 3.033 7.057 ( 2.786 -1.102 -5.703) 6.441 7.057 ( 2.786 1.102 -5.703) 6.441 7.332 ( -0.545 -1.980 1.790) 2.724 7.332 ( -0.545 1.980 1.790) 2.724 7.717 ( -4.000 -4.868 -1.565) 6.492 7.717 ( -4.000 4.868 -1.565) 6.492 8.374 ( 3.182 -4.875 0.002) 5.822 8.374 ( 3.182 4.875 0.002) 5.822 9.031 ( -2.403 -4.614 -1.033) 5.304 9.031 ( -2.403 4.614 -1.033) 5.304 9.380 ( 1.085 -1.569 0.364) 1.943 9.380 ( 1.085 1.569 0.364) 1.943 9.656 ( 0.940 -1.565 1.879) 2.620 9.656 ( 0.940 1.565 1.879) 2.620 10.190 ( 4.207 -2.735 0.151) 5.020 10.190 ( 4.207 2.735 0.151) 5.020 10.593 ( -2.870 -3.307 -2.405) 4.996 10.593 ( -2.871 3.307 -2.405) 4.996 10.882 ( -4.828 -1.859 1.579) 5.409 10.882 ( -4.828 1.859 1.579) 5.409 11.590 ( -0.255 -2.218 -0.295) 2.252 11.590 ( -0.255 2.218 -0.295) 2.252 12.719 ( 4.166 -0.980 -0.543) 4.314 12.719 ( 4.166 0.980 -0.543) 4.314 13.041 ( 0.578 -3.364 -0.386) 3.435 13.041 ( 0.578 3.364 -0.386) 3.435 13.721 ( -0.203 -1.119 -1.167) 1.630 13.721 ( -0.203 1.119 -1.167) 1.630 14.057 ( 0.472 -2.410 2.758) 3.693 14.057 ( 0.472 2.410 2.758) 3.693 14.311 ( 2.530 -4.340 -5.542) 7.480 14.311 ( 2.530 4.340 -5.542) 7.480 15.071 ( -4.722 -3.422 -1.811) 6.107 15.071 ( -4.722 3.422 -1.811) 6.107 15.628 ( 1.114 -0.589 -0.006) 1.260 15.628 ( 1.114 0.589 -0.006) 1.260 15.756 ( 0.114 -3.606 1.706) 3.991 15.756 ( 0.114 3.606 1.706) 3.991 16.365 ( 4.569 -1.578 -0.942) 4.925 16.365 ( 4.569 1.578 -0.942) 4.925 16.969 ( -3.323 -1.489 0.517) 3.678 16.969 ( -3.323 1.489 0.517) 3.678 19.421 ( 0.802 -2.139 1.250) 2.604 19.421 ( 0.802 2.139 1.250) 2.604 20.907 ( -0.658 -1.215 -0.155) 1.390 20.907 ( -0.658 1.215 -0.155) 1.390 21.858 ( 4.153 -2.113 -0.416) 4.678 21.858 ( 4.153 2.113 -0.416) 4.678 22.873 ( -3.021 -2.098 0.143) 3.681 22.873 ( -3.021 2.098 0.143) 3.681 27.310 ( 11.693 -9.745 -1.133) 15.263 27.310 ( 11.693 9.745 -1.133) 15.263 28.511 ( -12.292 -6.060 -2.111) 13.866 28.511 ( -12.292 6.060 -2.111) 13.866 30.990 ( 2.817 -0.835 3.371) 4.472 30.990 ( 2.817 0.835 3.371) 4.472 31.462 ( 2.895 -0.833 1.496) 3.363 31.462 ( 2.895 0.833 1.496) 3.363 31.685 ( 1.620 -4.127 1.674) 4.739 31.685 ( 1.620 4.127 1.674) 4.739 31.990 ( -4.948 -1.020 1.234) 5.201 31.990 ( -4.948 1.020 1.234) 5.201 33.337 ( 7.673 -2.074 -0.235) 7.952 33.337 ( 7.673 2.074 -0.235) 7.952 33.754 ( -6.229 -2.986 -0.683) 6.942 33.754 ( -6.229 2.986 -0.683) 6.942 35.526 ( 0.313 -4.159 0.743) 4.236 35.526 ( 0.313 4.159 0.743) 4.236 35.918 ( 2.732 -4.499 1.456) 5.461 35.918 ( 2.732 4.499 1.456) 5.461 36.508 ( 1.269 -0.996 -0.820) 1.810 36.508 ( 1.269 0.996 -0.820) 1.810 37.797 ( -5.159 -5.666 -1.752) 7.861 37.797 ( -5.159 5.666 -1.752) 7.861 ======================= Grid point 78 (42/88) ======================= q-point: (-0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -2.016 -5.884 4.434) 7.638 1.303 ( -2.016 5.884 4.434) 7.638 2.051 ( -4.843 -0.853 1.593) 5.169 2.051 ( -4.843 0.853 1.593) 5.169 2.454 ( -1.486 -9.590 2.447) 10.009 2.454 ( -1.486 9.590 2.447) 10.009 2.744 ( -3.514 -3.082 -2.633) 5.365 2.744 ( -3.514 3.082 -2.633) 5.365 3.151 ( -3.714 -8.491 0.351) 9.275 3.151 ( -3.714 8.491 0.351) 9.275 3.244 ( 0.678 -11.025 3.086) 11.469 3.244 ( 0.678 11.025 3.086) 11.469 3.746 ( 0.373 -4.032 6.918) 8.016 3.746 ( 0.373 4.032 6.918) 8.016 3.998 ( -3.241 -5.752 -2.279) 6.985 3.998 ( -3.241 5.752 -2.279) 6.985 4.180 ( 4.130 -2.706 2.562) 5.563 4.180 ( 4.130 2.706 2.562) 5.563 4.511 ( 3.298 -3.186 2.083) 5.036 4.511 ( 3.298 3.186 2.083) 5.036 4.676 ( 4.312 -8.497 1.301) 9.617 4.676 ( 4.312 8.497 1.301) 9.617 5.016 ( 0.863 -0.319 -3.524) 3.642 5.016 ( 0.863 0.319 -3.524) 3.642 5.268 ( 1.400 -5.436 1.621) 5.843 5.268 ( 1.400 5.436 1.621) 5.843 5.617 ( -3.829 -4.394 -4.615) 7.434 5.617 ( -3.829 4.394 -4.615) 7.434 5.918 ( -0.539 -2.252 3.664) 4.334 5.918 ( -0.539 2.252 3.664) 4.334 6.264 ( -1.749 -6.935 -0.971) 7.218 6.264 ( -1.749 6.935 -0.971) 7.218 6.461 ( -1.250 -3.486 -1.825) 4.129 6.461 ( -1.250 3.486 -1.825) 4.129 7.129 ( 4.860 -3.445 -5.260) 7.947 7.129 ( 4.860 3.445 -5.260) 7.947 7.355 ( 1.563 -3.495 4.212) 5.692 7.355 ( 1.563 3.495 4.212) 5.692 7.679 ( 0.559 -4.674 -2.862) 5.509 7.679 ( 0.559 4.674 -2.862) 5.509 8.376 ( -2.996 -4.635 0.015) 5.519 8.376 ( -2.996 4.635 0.015) 5.519 9.010 ( 0.471 -5.322 -1.562) 5.567 9.010 ( 0.471 5.322 -1.562) 5.567 9.383 ( -0.777 -2.886 0.550) 3.039 9.383 ( -0.777 2.886 0.550) 3.039 9.680 ( 1.362 -2.195 2.480) 3.581 9.680 ( 1.362 2.195 2.480) 3.581 10.248 ( -0.035 -2.642 2.486) 3.627 10.248 ( -0.035 2.642 2.486) 3.627 10.525 ( -1.673 -2.859 -4.672) 5.727 10.525 ( -1.673 2.859 -4.672) 5.727 10.896 ( 5.614 -3.593 1.529) 6.838 10.896 ( 5.614 3.593 1.529) 6.838 11.579 ( -0.802 -1.689 -0.541) 1.946 11.579 ( -0.802 1.689 -0.541) 1.946 12.731 ( -3.028 -0.842 -0.151) 3.147 12.731 ( -3.028 0.842 -0.151) 3.147 13.033 ( -1.374 -3.491 -0.640) 3.806 13.033 ( -1.374 3.491 -0.640) 3.806 13.736 ( 1.573 -1.060 -0.815) 2.065 13.736 ( 1.573 1.060 -0.815) 2.065 13.998 ( -5.140 -3.499 0.258) 6.223 13.998 ( -5.140 3.499 0.258) 6.223 14.405 ( 5.628 -4.942 -2.113) 7.782 14.405 ( 5.628 4.942 -2.113) 7.782 15.040 ( 2.198 -5.149 -2.355) 6.073 15.040 ( 2.198 5.149 -2.355) 6.073 15.632 ( -1.552 -1.091 -0.618) 1.995 15.632 ( -1.552 1.091 -0.618) 1.995 15.760 ( 1.106 -0.838 2.237) 2.632 15.760 ( 1.106 0.838 2.237) 2.632 16.357 ( -5.788 -1.915 -1.082) 6.191 16.357 ( -5.788 1.915 -1.082) 6.191 16.952 ( 1.841 -1.484 0.054) 2.365 16.952 ( 1.841 1.484 0.054) 2.365 19.411 ( -1.821 -1.556 1.013) 2.600 19.411 ( -1.821 1.556 1.013) 2.600 20.915 ( 1.458 -1.694 0.105) 2.237 20.915 ( 1.458 1.694 0.105) 2.237 21.872 ( -2.810 -1.935 -0.056) 3.412 21.872 ( -2.810 1.935 -0.056) 3.412 22.873 ( 3.054 -0.722 0.099) 3.139 22.873 ( 3.054 0.722 0.099) 3.139 27.289 ( -13.120 -8.316 -1.641) 15.620 27.289 ( -13.120 8.316 -1.641) 15.620 28.538 ( 14.564 -6.983 -1.434) 16.215 28.538 ( 14.564 6.983 -1.434) 16.215 30.988 ( -3.266 -1.079 3.410) 4.844 30.988 ( -3.266 1.079 3.410) 4.844 31.458 ( -3.348 -2.020 1.211) 4.093 31.458 ( -3.348 2.020 1.211) 4.093 31.677 ( -1.995 -1.339 1.684) 2.934 31.677 ( -1.995 1.339 1.684) 2.934 32.002 ( 5.687 -1.069 1.501) 5.978 32.002 ( 5.687 1.069 1.501) 5.978 33.346 ( -7.026 -2.169 0.016) 7.353 33.346 ( -7.026 2.169 0.016) 7.353 33.747 ( 5.844 -3.116 -0.880) 6.682 33.747 ( 5.844 3.116 -0.880) 6.682 35.530 ( 0.062 -2.558 0.863) 2.700 35.530 ( 0.062 2.558 0.863) 2.700 35.958 ( 0.927 -2.616 2.828) 3.963 35.958 ( 0.927 2.616 2.828) 3.963 36.468 ( -4.995 -7.007 -2.242) 8.892 36.468 ( -4.995 7.007 -2.242) 8.892 37.800 ( 5.497 -7.640 -1.649) 9.556 37.800 ( 5.497 7.640 -1.649) 9.556 ======================= Grid point 80 (43/88) ======================= q-point: (-0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 1.400 -7.654 3.668) 8.602 1.294 ( 1.400 7.654 3.668) 8.602 1.946 ( -5.485 -5.589 3.312) 8.502 1.946 ( -5.485 5.589 3.312) 8.502 2.441 ( 0.065 -4.870 -0.477) 4.894 2.441 ( 0.065 4.870 -0.477) 4.894 2.532 ( -14.852 -6.426 6.907) 17.595 2.532 ( -14.852 6.426 6.907) 17.595 3.047 ( -4.874 -10.639 2.372) 11.940 3.047 ( -4.874 10.639 2.372) 11.940 3.304 ( 2.197 -7.981 4.705) 9.521 3.304 ( 2.197 7.981 4.705) 9.521 3.696 ( -3.538 -2.381 1.741) 4.606 3.696 ( -3.538 2.381 1.741) 4.606 3.995 ( 0.152 -9.421 -3.825) 10.169 3.995 ( 0.152 9.421 -3.825) 10.169 4.287 ( 5.468 -10.811 2.564) 12.384 4.287 ( 5.468 10.811 2.564) 12.384 4.539 ( 0.307 -7.156 0.328) 7.170 4.539 ( 0.307 7.156 0.328) 7.170 4.759 ( 2.441 -2.942 1.170) 3.998 4.759 ( 2.441 2.942 1.170) 3.998 5.013 ( -0.568 -6.257 0.420) 6.297 5.013 ( -0.568 6.257 0.420) 6.297 5.313 ( 3.274 -3.691 -1.498) 5.156 5.313 ( 3.274 3.691 -1.498) 5.156 5.535 ( -2.511 -6.512 -8.046) 10.651 5.535 ( -2.511 6.512 -8.046) 10.651 5.982 ( 6.930 -3.056 1.068) 7.649 5.982 ( 6.930 3.056 1.068) 7.649 6.259 ( 0.178 -5.403 3.144) 6.254 6.259 ( 0.178 5.403 3.144) 6.254 6.443 ( -0.036 -4.482 -1.545) 4.741 6.443 ( -0.036 4.482 -1.545) 4.741 7.198 ( -0.589 -3.801 -3.357) 5.105 7.198 ( -0.589 3.801 -3.357) 5.105 7.383 ( 3.243 -4.415 1.683) 5.731 7.383 ( 3.243 4.415 1.683) 5.731 7.746 ( 5.973 -1.591 -0.093) 6.182 7.746 ( 5.973 1.591 -0.093) 6.182 8.273 ( -6.706 -4.478 -0.146) 8.065 8.273 ( -6.706 4.478 -0.146) 8.065 9.034 ( 1.287 -5.258 -2.032) 5.782 9.034 ( 1.287 5.258 -2.032) 5.782 9.366 ( -0.344 -3.399 1.255) 3.640 9.366 ( -0.344 3.399 1.255) 3.640 9.707 ( 1.085 -4.854 2.077) 5.390 9.707 ( 1.085 4.854 2.077) 5.390 10.186 ( -4.903 -3.172 0.761) 5.889 10.186 ( -4.903 3.172 0.761) 5.889 10.532 ( 1.201 -1.209 -2.773) 3.255 10.532 ( 1.201 1.209 -2.773) 3.255 11.079 ( 11.869 -3.090 0.743) 12.287 11.079 ( 11.869 3.090 0.743) 12.287 11.562 ( -0.715 -2.042 -0.716) 2.279 11.562 ( -0.715 2.042 -0.716) 2.279 12.592 ( -10.650 -0.336 0.616) 10.673 12.592 ( -10.650 0.336 0.616) 10.673 13.012 ( -0.253 -2.398 -1.491) 2.835 13.012 ( -0.253 2.398 -1.491) 2.835 13.735 ( -3.861 -3.143 -0.553) 5.009 13.735 ( -3.861 3.143 -0.553) 5.009 13.922 ( 0.071 -1.443 -1.178) 1.864 13.922 ( 0.071 1.443 -1.178) 1.864 14.512 ( 4.968 -2.006 -1.243) 5.500 14.512 ( 4.968 2.006 -1.243) 5.500 15.124 ( 4.892 -6.048 -2.873) 8.292 15.124 ( 4.892 6.048 -2.873) 8.292 15.582 ( -2.576 -1.051 -0.672) 2.862 15.582 ( -2.576 1.051 -0.672) 2.862 15.793 ( 1.512 -3.586 4.379) 5.859 15.793 ( 1.512 3.586 4.379) 5.859 16.168 ( -11.790 -2.040 -1.962) 12.125 16.168 ( -11.790 2.040 -1.962) 12.125 17.018 ( 4.066 -1.392 0.075) 4.299 17.018 ( 4.066 1.392 0.075) 4.299 19.357 ( -3.415 -2.256 1.043) 4.224 19.357 ( -3.415 2.256 1.043) 4.224 20.963 ( 3.261 -1.968 0.254) 3.817 20.963 ( 3.261 1.968 0.254) 3.817 21.764 ( -7.450 -3.906 -0.083) 8.412 21.764 ( -7.450 3.906 -0.083) 8.412 22.974 ( 6.446 -2.020 -0.159) 6.757 22.974 ( 6.446 2.020 -0.159) 6.757 26.927 ( -20.712 -6.222 -1.852) 21.706 26.927 ( -20.712 6.222 -1.852) 21.706 28.950 ( 24.722 -5.485 -0.774) 25.335 28.950 ( 24.722 5.485 -0.774) 25.335 30.863 ( -9.651 -1.929 3.190) 10.346 30.863 ( -9.651 1.929 3.190) 10.346 31.353 ( -6.356 -2.243 0.756) 6.782 31.353 ( -6.356 2.243 0.756) 6.782 31.644 ( -1.329 -2.953 1.120) 3.427 31.644 ( -1.329 2.953 1.120) 3.427 32.162 ( 9.730 -1.390 1.724) 9.979 32.162 ( 9.730 1.390 1.724) 9.979 33.145 ( -12.018 -2.114 0.815) 12.230 33.145 ( -12.018 2.114 0.815) 12.230 33.895 ( 7.712 -3.526 -1.201) 8.565 33.895 ( 7.712 3.526 -1.201) 8.565 35.531 ( -0.006 -1.355 1.179) 1.796 35.531 ( -0.006 1.355 1.179) 1.796 35.947 ( -2.430 -0.824 2.914) 3.882 35.947 ( -2.430 0.824 2.914) 3.882 36.348 ( -5.870 -8.162 -0.811) 10.086 36.348 ( -5.870 8.162 -0.811) 10.086 37.979 ( 11.542 -10.047 -2.868) 15.569 37.979 ( 11.542 10.047 -2.868) 15.569 ======================= Grid point 82 (44/88) ======================= q-point: (-0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 3.503 -10.402 5.836) 12.432 1.356 ( 3.503 10.402 5.836) 12.432 1.864 ( -2.906 -9.170 6.312) 11.505 1.864 ( -2.906 9.170 6.312) 11.505 2.202 ( -12.294 -5.203 13.598) 19.055 2.202 ( -12.294 5.203 13.598) 19.055 2.540 ( 4.972 -5.935 -2.385) 8.102 2.540 ( 4.972 5.935 -2.385) 8.102 2.944 ( -5.994 -7.665 2.505) 10.048 2.944 ( -5.994 7.665 2.505) 10.048 3.280 ( -3.161 -7.802 1.688) 8.585 3.280 ( -3.161 7.802 1.688) 8.585 3.663 ( -1.519 -6.758 0.436) 6.940 3.663 ( -1.519 6.758 0.436) 6.940 3.994 ( 1.179 -8.847 -3.110) 9.451 3.994 ( 1.179 8.847 -3.110) 9.451 4.297 ( -4.113 -8.232 1.912) 9.399 4.297 ( -4.113 8.232 1.912) 9.399 4.571 ( 2.229 -5.113 0.656) 5.616 4.571 ( 2.229 5.113 0.656) 5.616 4.788 ( 2.229 -3.173 -1.222) 4.066 4.788 ( 2.229 3.173 -1.222) 4.066 5.007 ( -0.861 -6.140 1.359) 6.347 5.007 ( -0.861 6.140 1.359) 6.347 5.379 ( 3.768 -0.929 -2.927) 4.861 5.379 ( 3.768 0.929 -2.927) 4.861 5.577 ( 6.422 -5.522 -9.959) 13.074 5.577 ( 6.422 5.522 -9.959) 13.074 6.111 ( 4.412 -3.883 0.642) 5.912 6.111 ( 4.412 3.883 0.642) 5.912 6.267 ( 0.739 -4.843 3.217) 5.861 6.267 ( 0.739 4.843 3.217) 5.861 6.457 ( 0.828 -6.482 2.986) 7.184 6.457 ( 0.828 6.482 2.986) 7.184 7.085 ( -8.265 -5.893 0.435) 10.160 7.085 ( -8.265 5.893 0.435) 10.160 7.494 ( 5.885 -2.286 -4.918) 8.003 7.494 ( 5.885 2.286 -4.918) 8.003 7.872 ( 4.771 -3.024 2.992) 6.392 7.872 ( 4.771 3.024 2.992) 6.392 8.158 ( -3.231 -5.897 0.958) 6.792 8.158 ( -3.231 5.897 0.958) 6.792 9.041 ( -0.282 -6.537 -2.151) 6.888 9.041 ( -0.282 6.537 -2.151) 6.888 9.388 ( 2.253 -2.800 1.340) 3.835 9.388 ( 2.253 2.800 1.340) 3.835 9.719 ( -0.131 -4.665 0.299) 4.676 9.719 ( -0.131 4.665 0.299) 4.676 10.089 ( -4.522 -4.088 0.179) 6.098 10.089 ( -4.522 4.088 0.179) 6.098 10.545 ( 0.223 -1.427 -0.958) 1.733 10.545 ( 0.223 1.427 -0.958) 1.733 11.298 ( 8.242 -0.646 -0.859) 8.312 11.298 ( 8.242 0.646 -0.859) 8.312 11.570 ( 2.392 -1.630 0.481) 2.934 11.570 ( 2.392 1.630 0.481) 2.934 12.360 ( -11.424 -0.952 0.764) 11.489 12.360 ( -11.424 0.952 0.764) 11.489 13.023 ( 1.292 -0.838 -1.834) 2.395 13.023 ( 1.292 0.838 -1.834) 2.395 13.616 ( -5.774 -2.381 -1.740) 6.484 13.616 ( -5.774 2.381 -1.740) 6.484 13.983 ( 4.031 -1.644 -1.047) 4.478 13.983 ( 4.031 1.644 -1.047) 4.478 14.567 ( -0.065 -0.679 -4.304) 4.357 14.567 ( -0.065 0.679 -4.304) 4.357 15.193 ( 2.574 -4.707 0.156) 5.367 15.193 ( 2.574 4.707 0.156) 5.367 15.542 ( -2.116 -2.396 0.762) 3.286 15.542 ( -2.116 2.396 0.762) 3.286 15.816 ( 0.427 -4.916 3.665) 6.147 15.816 ( 0.427 4.916 3.665) 6.147 15.964 ( -6.698 -1.519 -1.239) 6.979 15.964 ( -6.698 1.519 -1.239) 6.979 17.091 ( 3.033 -1.353 0.316) 3.336 17.091 ( 3.033 1.353 0.316) 3.336 19.296 ( -2.306 -3.046 1.261) 4.024 19.296 ( -2.306 3.046 1.261) 4.024 21.033 ( 3.415 -1.741 0.111) 3.835 21.033 ( 3.415 1.741 0.111) 3.835 21.608 ( -7.583 -4.104 -0.332) 8.628 21.608 ( -7.583 4.104 -0.332) 8.628 23.096 ( 5.151 -2.294 -0.452) 5.656 23.096 ( 5.151 2.294 -0.452) 5.656 26.555 ( -15.150 -2.317 -0.877) 15.351 26.555 ( -15.150 2.317 -0.877) 15.351 29.436 ( 22.734 -5.746 -1.686) 23.509 29.436 ( 22.734 5.746 -1.686) 23.509 30.624 ( -13.737 -2.673 3.735) 14.484 30.624 ( -13.737 2.673 3.735) 14.484 31.243 ( -4.333 -2.148 0.525) 4.864 31.243 ( -4.333 2.148 0.525) 4.864 31.623 ( -0.861 -3.552 0.146) 3.658 31.623 ( -0.861 3.552 0.146) 3.658 32.372 ( 11.256 -1.024 1.699) 11.429 32.372 ( 11.256 1.024 1.699) 11.429 32.898 ( -12.869 -2.419 1.757) 13.211 32.898 ( -12.869 2.419 1.757) 13.211 34.020 ( 4.752 -3.831 -1.369) 6.256 34.020 ( 4.752 3.831 -1.369) 6.256 35.530 ( -0.247 -3.699 1.626) 4.048 35.530 ( -0.247 3.699 1.626) 4.048 35.870 ( -4.736 -3.541 0.984) 5.995 35.870 ( -4.736 3.541 0.984) 5.995 36.273 ( -1.605 -7.309 2.677) 7.948 36.273 ( -1.605 7.309 2.677) 7.948 38.197 ( 9.326 -8.398 -4.457) 13.318 38.197 ( 9.326 8.398 -4.457) 13.318 ======================= Grid point 98 (45/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -7.838 0.000 19.154) 20.696 1.480 ( -12.616 0.000 18.129) 22.087 1.723 ( 5.531 0.000 -4.241) 6.970 1.872 ( 15.861 0.000 13.476) 20.813 2.065 ( -1.418 0.000 3.684) 3.947 2.385 ( -1.439 0.000 -0.363) 1.484 2.577 ( -1.893 0.000 17.961) 18.060 2.616 ( -5.485 0.000 15.337) 16.289 2.760 ( 4.240 0.000 4.764) 6.378 2.779 ( -6.879 0.000 -6.762) 9.646 2.966 ( 6.206 0.000 2.304) 6.620 3.243 ( -0.487 0.000 2.667) 2.711 3.460 ( 0.684 0.000 4.101) 4.158 3.612 ( -6.094 0.000 6.628) 9.004 3.929 ( 1.807 0.000 -6.621) 6.863 4.035 ( 9.422 0.000 -3.679) 10.115 4.221 ( -6.402 0.000 -7.162) 9.606 4.262 ( -6.647 0.000 -5.457) 8.600 4.436 ( -5.228 0.000 -4.446) 6.863 4.500 ( 1.587 0.000 -3.550) 3.888 4.645 ( -6.642 0.000 -2.849) 7.228 4.733 ( 4.797 0.000 -8.936) 10.142 4.879 ( 1.480 0.000 -2.426) 2.841 4.989 ( 11.562 0.000 -8.826) 14.545 5.173 ( -4.007 0.000 -0.960) 4.120 5.353 ( 8.906 0.000 -2.605) 9.279 5.614 ( -0.314 0.000 7.144) 7.151 5.762 ( 1.075 0.000 0.224) 1.098 5.857 ( -1.072 0.000 -0.616) 1.236 6.097 ( -5.687 0.000 0.962) 5.768 6.195 ( 2.990 0.000 5.363) 6.140 6.334 ( 6.725 0.000 12.084) 13.829 6.380 ( -2.230 0.000 0.429) 2.271 6.776 ( 0.756 0.000 -3.479) 3.560 6.966 ( 3.935 0.000 0.128) 3.937 7.025 ( -6.618 0.000 2.034) 6.923 7.330 ( 0.341 0.000 -4.083) 4.098 7.449 ( -3.634 0.000 -0.157) 3.637 7.816 ( -8.823 0.000 -3.135) 9.363 7.974 ( 6.326 0.000 -1.199) 6.439 8.177 ( 9.067 0.000 -0.545) 9.083 8.235 ( -8.596 0.000 -2.036) 8.834 9.067 ( 1.806 0.000 -2.119) 2.784 9.312 ( 3.067 0.000 5.742) 6.510 9.504 ( -11.435 0.000 -0.420) 11.443 9.570 ( 2.452 0.000 -0.685) 2.546 9.689 ( 0.383 0.000 -2.140) 2.174 9.885 ( -1.710 0.000 1.517) 2.286 9.992 ( 4.458 0.000 -4.342) 6.223 10.221 ( 0.453 0.000 -1.516) 1.582 10.562 ( -4.599 0.000 2.919) 5.447 10.695 ( 4.879 0.000 -2.260) 5.377 11.454 ( 1.735 0.000 1.571) 2.341 11.530 ( -0.753 0.000 -0.688) 1.020 11.625 ( -0.325 0.000 0.909) 0.965 11.805 ( 2.070 0.000 3.315) 3.908 12.153 ( -1.347 0.000 0.753) 1.543 12.284 ( -2.621 0.000 -0.247) 2.632 12.992 ( 2.036 0.000 -1.355) 2.446 13.081 ( 0.939 0.000 -0.248) 0.971 13.471 ( -0.043 0.000 -1.000) 1.001 13.554 ( -3.015 0.000 0.020) 3.016 13.999 ( -1.924 0.000 4.525) 4.917 14.149 ( -0.102 0.000 -0.830) 0.836 14.194 ( 3.702 0.000 -2.078) 4.246 14.431 ( -1.481 0.000 -4.174) 4.429 15.213 ( 4.133 0.000 0.286) 4.142 15.317 ( -4.459 0.000 2.092) 4.925 15.428 ( 1.825 0.000 -1.465) 2.340 15.480 ( 1.132 0.000 -1.029) 1.530 15.774 ( -2.014 0.000 -1.968) 2.816 15.816 ( 0.117 0.000 -0.360) 0.378 16.083 ( 1.899 0.000 1.590) 2.477 16.311 ( -3.028 0.000 1.212) 3.261 17.083 ( 0.959 0.000 1.341) 1.649 17.150 ( 0.157 0.000 0.234) 0.282 19.153 ( -0.566 0.000 2.181) 2.253 19.346 ( 1.342 0.000 -2.503) 2.840 20.985 ( -0.019 0.000 -0.106) 0.107 21.108 ( -0.937 0.000 -0.598) 1.111 21.233 ( -0.737 0.000 0.079) 0.742 21.643 ( 0.496 0.000 0.022) 0.496 22.931 ( -0.821 0.000 -0.530) 0.977 23.204 ( 0.673 0.000 1.036) 1.235 26.405 ( 0.485 0.000 0.178) 0.517 26.431 ( 4.159 0.000 -0.064) 4.159 29.586 ( 4.492 0.000 1.601) 4.769 29.657 ( -6.607 0.000 -1.754) 6.836 30.681 ( 5.761 0.000 2.449) 6.260 30.889 ( -3.352 0.000 -1.154) 3.545 31.210 ( -4.796 0.000 -0.884) 4.876 31.316 ( -6.089 0.000 0.477) 6.107 31.426 ( -0.204 0.000 0.398) 0.447 31.594 ( 9.174 0.000 -2.085) 9.408 32.548 ( -5.217 0.000 1.426) 5.409 32.616 ( 1.845 0.000 -0.973) 2.086 32.787 ( 8.526 0.000 4.121) 9.470 32.960 ( -3.793 0.000 -1.194) 3.976 33.935 ( 0.172 0.000 1.452) 1.462 34.099 ( 0.120 0.000 -3.547) 3.549 35.201 ( -1.721 0.000 1.822) 2.506 35.349 ( 2.267 0.000 -2.223) 3.176 35.818 ( 2.219 0.000 0.876) 2.386 35.946 ( -9.411 0.000 -3.488) 10.037 36.205 ( 0.454 0.000 1.154) 1.240 36.423 ( -0.902 0.000 2.637) 2.787 38.156 ( -0.022 0.000 4.393) 4.393 38.507 ( 0.700 0.000 -5.575) 5.619 ======================= Grid point 99 (46/88) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.685 0.000 13.638) 13.655 1.370 ( 4.514 0.000 15.013) 15.677 1.803 ( 4.183 0.000 -2.208) 4.729 2.002 ( -1.296 0.000 3.281) 3.528 2.151 ( 3.643 0.000 3.708) 5.198 2.424 ( 5.544 0.000 8.981) 10.555 2.520 ( -4.566 0.000 2.121) 5.035 2.636 ( 8.686 0.000 13.540) 16.086 2.720 ( 1.956 0.000 11.724) 11.886 2.812 ( 2.361 0.000 3.178) 3.959 3.099 ( 5.347 0.000 0.216) 5.352 3.386 ( -1.360 0.000 10.995) 11.079 3.428 ( 0.601 0.000 1.317) 1.448 3.597 ( 6.792 0.000 5.470) 8.720 3.927 ( -1.104 0.000 -6.384) 6.479 4.023 ( -10.930 0.000 -2.758) 11.272 4.093 ( -2.713 0.000 -9.731) 10.103 4.203 ( 2.322 0.000 0.330) 2.346 4.368 ( 0.169 0.000 -3.696) 3.700 4.459 ( -5.521 0.000 -3.418) 6.494 4.568 ( 0.110 0.000 -7.029) 7.030 4.815 ( 3.987 0.000 -8.780) 9.643 4.908 ( 1.833 0.000 -4.617) 4.968 5.034 ( -3.873 0.000 -2.291) 4.500 5.302 ( 12.764 0.000 -9.974) 16.199 5.435 ( -0.666 0.000 3.282) 3.349 5.658 ( 5.645 0.000 2.888) 6.341 5.729 ( -7.873 0.000 -3.056) 8.445 5.849 ( -0.323 0.000 0.916) 0.972 5.957 ( -4.907 0.000 4.842) 6.893 6.253 ( -0.972 0.000 8.073) 8.132 6.307 ( -2.005 0.000 -0.497) 2.066 6.381 ( -1.001 0.000 8.221) 8.282 6.796 ( -3.119 0.000 -4.840) 5.758 6.844 ( -8.481 0.000 -2.585) 8.866 7.063 ( 5.309 0.000 5.081) 7.348 7.295 ( -3.003 0.000 -3.047) 4.278 7.395 ( -1.949 0.000 1.643) 2.549 7.670 ( -3.131 0.000 -0.320) 3.148 7.956 ( -11.137 0.000 -0.893) 11.172 8.175 ( 4.336 0.000 -2.909) 5.221 8.349 ( 8.600 0.000 0.206) 8.602 9.108 ( 3.117 0.000 -1.297) 3.376 9.264 ( -9.289 0.000 2.768) 9.692 9.365 ( -0.555 0.000 2.940) 2.992 9.603 ( 1.167 0.000 0.927) 1.490 9.704 ( 0.817 0.000 -3.772) 3.859 9.861 ( 0.023 0.000 0.615) 0.616 10.095 ( 4.859 0.000 -3.193) 5.814 10.246 ( 1.165 0.000 -0.389) 1.228 10.462 ( -4.800 0.000 2.329) 5.335 10.771 ( 2.966 0.000 -2.911) 4.156 11.370 ( -10.098 0.000 0.503) 10.111 11.413 ( -9.078 0.000 0.812) 9.114 11.515 ( -5.858 0.000 1.168) 5.973 11.771 ( -4.300 0.000 1.339) 4.503 12.304 ( 11.259 0.000 1.197) 11.322 12.390 ( 11.160 0.000 0.158) 11.162 12.977 ( -2.786 0.000 -1.402) 3.119 13.116 ( 2.358 0.000 -1.908) 3.033 13.578 ( 7.379 0.000 0.630) 7.406 13.621 ( 9.003 0.000 -3.725) 9.743 13.960 ( -0.286 0.000 0.814) 0.863 14.099 ( -4.593 0.000 -0.812) 4.664 14.275 ( 1.931 0.000 -1.131) 2.238 14.378 ( -2.846 0.000 -2.694) 3.919 15.139 ( -5.730 0.000 -3.040) 6.487 15.283 ( -2.803 0.000 -0.058) 2.804 15.461 ( 4.542 0.000 0.776) 4.608 15.629 ( 3.755 0.000 0.239) 3.762 15.748 ( 4.428 0.000 0.081) 4.429 15.901 ( -2.284 0.000 1.885) 2.961 16.024 ( 5.522 0.000 -2.771) 6.179 16.325 ( 1.171 0.000 2.268) 2.552 17.087 ( -1.079 0.000 0.949) 1.437 17.136 ( -1.609 0.000 -0.325) 1.641 19.180 ( 2.791 0.000 2.180) 3.542 19.387 ( 2.531 0.000 -2.780) 3.760 20.980 ( -0.376 0.000 -0.817) 0.900 21.040 ( -4.701 0.000 0.874) 4.782 21.297 ( 6.789 0.000 -0.794) 6.835 21.720 ( 6.085 0.000 0.210) 6.088 22.850 ( -5.907 0.000 0.039) 5.907 23.181 ( -3.476 0.000 0.547) 3.518 26.498 ( 10.058 0.000 0.567) 10.074 26.764 ( 24.759 0.000 -10.770) 26.999 29.268 ( -24.507 0.000 3.577) 24.767 29.461 ( -20.292 0.000 -3.132) 20.533 30.849 ( 7.964 0.000 0.937) 8.019 30.897 ( 5.959 0.000 4.466) 7.447 31.172 ( 2.919 0.000 2.743) 4.005 31.318 ( 4.311 0.000 2.681) 5.077 31.446 ( 1.955 0.000 1.403) 2.406 31.826 ( 11.341 0.000 -9.096) 14.538 32.328 ( -12.744 0.000 2.342) 12.958 32.562 ( -7.670 0.000 -1.667) 7.849 32.974 ( 8.578 0.000 3.780) 9.374 33.053 ( 10.762 0.000 -1.322) 10.843 33.901 ( -3.708 0.000 1.346) 3.945 34.056 ( -4.174 0.000 -3.471) 5.429 35.186 ( 0.006 0.000 1.203) 1.203 35.414 ( 4.312 0.000 -1.871) 4.700 35.800 ( -4.016 0.000 0.088) 4.016 35.875 ( 2.789 0.000 2.581) 3.800 36.203 ( -1.320 0.000 0.552) 1.430 36.428 ( 1.575 0.000 3.661) 3.985 38.055 ( -8.012 0.000 7.304) 10.841 38.437 ( -7.282 0.000 -6.368) 9.673 ======================= Grid point 100 (47/88) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 11.993 0.000 9.297) 15.174 1.600 ( 12.274 0.000 0.156) 12.275 1.879 ( 3.892 0.000 2.093) 4.419 1.981 ( 1.125 0.000 6.932) 7.023 2.283 ( 7.632 0.000 -3.765) 8.510 2.427 ( 3.224 0.000 2.010) 3.799 2.558 ( 2.422 0.000 8.474) 8.813 2.694 ( -1.877 0.000 2.024) 2.760 2.780 ( -1.466 0.000 8.730) 8.852 2.911 ( 6.827 0.000 2.131) 7.152 3.160 ( 2.635 0.000 7.801) 8.234 3.246 ( -13.077 0.000 -1.958) 13.222 3.450 ( 3.146 0.000 17.276) 17.560 3.642 ( -11.499 0.000 3.382) 11.986 3.904 ( 8.131 0.000 -1.599) 8.287 3.965 ( 5.247 0.000 -0.636) 5.286 4.091 ( -1.404 0.000 -5.880) 6.046 4.264 ( 4.016 0.000 -2.481) 4.721 4.317 ( -5.891 0.000 -6.098) 8.478 4.416 ( 3.958 0.000 -2.801) 4.849 4.626 ( 4.964 0.000 -5.036) 7.072 4.871 ( 0.534 0.000 -4.396) 4.429 4.943 ( 1.572 0.000 -0.703) 1.722 5.051 ( 8.362 0.000 -6.555) 10.625 5.360 ( -3.410 0.000 8.037) 8.731 5.522 ( -2.557 0.000 -7.749) 8.160 5.576 ( 4.298 0.000 -3.077) 5.286 5.716 ( -8.716 0.000 5.113) 10.105 5.741 ( 0.719 0.000 -0.535) 0.896 5.989 ( 2.450 0.000 1.280) 2.764 6.111 ( -10.752 0.000 11.434) 15.695 6.316 ( -0.785 0.000 -3.136) 3.233 6.351 ( -3.222 0.000 1.862) 3.722 6.591 ( -14.163 0.000 -7.599) 16.073 6.735 ( 1.035 0.000 -2.857) 3.039 7.151 ( -1.330 0.000 0.565) 1.445 7.267 ( 1.126 0.000 3.775) 3.939 7.389 ( 1.800 0.000 -1.994) 2.686 7.668 ( -4.016 0.000 1.951) 4.465 7.724 ( -4.498 0.000 -0.994) 4.607 8.258 ( 3.893 0.000 0.804) 3.975 8.518 ( 8.253 0.000 -0.579) 8.274 9.104 ( -6.789 0.000 2.078) 7.100 9.170 ( 2.060 0.000 -2.195) 3.010 9.357 ( 0.037 0.000 1.747) 1.747 9.625 ( 0.970 0.000 1.607) 1.877 9.714 ( 0.992 0.000 -4.921) 5.020 9.880 ( 0.348 0.000 1.349) 1.393 10.186 ( 4.937 0.000 -0.136) 4.939 10.219 ( -2.329 0.000 2.374) 3.326 10.403 ( -1.994 0.000 -1.340) 2.403 10.824 ( 2.785 0.000 -2.206) 3.553 11.136 ( -12.438 0.000 -0.764) 12.461 11.218 ( -9.859 0.000 2.304) 10.125 11.460 ( -0.343 0.000 0.460) 0.574 11.683 ( -4.053 0.000 0.031) 4.053 12.502 ( 8.127 0.000 0.151) 8.129 12.603 ( 8.790 0.000 0.372) 8.798 12.937 ( -0.838 0.000 -0.977) 1.288 13.158 ( 2.078 0.000 -2.252) 3.064 13.708 ( 6.667 0.000 4.868) 8.255 13.771 ( 4.600 0.000 -2.598) 5.283 13.978 ( -5.957 0.000 -2.491) 6.456 14.050 ( 6.793 0.000 -5.167) 8.535 14.223 ( -5.171 0.000 -0.438) 5.190 14.358 ( 0.498 0.000 -1.759) 1.828 15.023 ( -6.078 0.000 -4.263) 7.424 15.221 ( -3.627 0.000 -1.630) 3.977 15.557 ( 4.139 0.000 0.661) 4.191 15.601 ( -2.195 0.000 1.474) 2.644 15.766 ( -1.868 0.000 1.729) 2.546 15.980 ( 9.882 0.000 2.985) 10.323 16.245 ( 9.247 0.000 -2.387) 9.550 16.314 ( 0.372 0.000 -0.127) 0.393 17.037 ( -3.892 0.000 1.337) 4.116 17.081 ( -3.798 0.000 -0.960) 3.918 19.249 ( 3.790 0.000 2.048) 4.308 19.428 ( 1.410 0.000 -1.935) 2.394 20.950 ( -2.349 0.000 -1.466) 2.769 20.972 ( -2.157 0.000 1.191) 2.464 21.473 ( 10.431 0.000 -1.380) 10.522 21.844 ( 5.442 0.000 1.058) 5.544 22.746 ( -3.741 0.000 -0.612) 3.791 23.072 ( -7.189 0.000 0.445) 7.203 26.778 ( 17.263 0.000 2.211) 17.404 27.250 ( 23.097 0.000 -17.147) 28.766 28.766 ( -25.227 0.000 3.823) 25.515 28.974 ( -25.232 0.000 -3.265) 25.442 30.977 ( 6.338 0.000 1.835) 6.599 31.058 ( 7.107 0.000 4.145) 8.228 31.294 ( 7.783 0.000 2.287) 8.112 31.448 ( 7.027 0.000 4.060) 8.115 31.507 ( 4.965 0.000 2.427) 5.527 31.954 ( 0.852 0.000 -4.481) 4.561 32.102 ( -8.962 0.000 -0.265) 8.966 32.380 ( -9.667 0.000 0.473) 9.679 33.172 ( 10.755 0.000 1.969) 10.934 33.245 ( 8.525 0.000 0.578) 8.544 33.800 ( -6.201 0.000 1.526) 6.386 33.941 ( -7.088 0.000 -3.289) 7.814 35.200 ( 1.244 0.000 -0.022) 1.245 35.499 ( 3.769 0.000 0.770) 3.847 35.775 ( 1.017 0.000 -1.470) 1.788 35.917 ( 0.566 0.000 -0.088) 0.573 36.165 ( -1.562 0.000 2.576) 3.012 36.491 ( 4.328 0.000 4.463) 6.217 37.924 ( -5.093 0.000 6.196) 8.021 38.245 ( -10.707 0.000 -6.058) 12.302 ======================= Grid point 101 (48/88) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 11.699 0.000 8.049) 14.201 1.687 ( -0.556 0.000 -1.343) 1.453 1.859 ( -4.081 0.000 1.162) 4.243 2.125 ( 5.749 0.000 0.106) 5.750 2.335 ( -8.606 0.000 4.255) 9.600 2.488 ( 6.205 0.000 8.632) 10.631 2.646 ( -0.319 0.000 -5.386) 5.395 2.724 ( 9.628 0.000 -0.207) 9.630 2.822 ( 3.241 0.000 11.627) 12.070 2.951 ( -5.634 0.000 -0.970) 5.717 3.023 ( 6.310 0.000 -2.335) 6.728 3.229 ( -4.359 0.000 5.995) 7.412 3.328 ( -8.467 0.000 -3.660) 9.224 3.536 ( 0.906 0.000 10.542) 10.581 3.981 ( -2.146 0.000 -1.879) 2.853 4.029 ( 1.760 0.000 -8.936) 9.107 4.114 ( 0.948 0.000 4.255) 4.359 4.293 ( 4.854 0.000 -2.183) 5.322 4.399 ( 7.877 0.000 -0.857) 7.923 4.524 ( 6.360 0.000 3.523) 7.271 4.670 ( -1.464 0.000 -4.597) 4.824 4.877 ( 0.723 0.000 2.007) 2.133 4.999 ( 4.623 0.000 -2.073) 5.067 5.185 ( 1.788 0.000 5.156) 5.458 5.337 ( -3.835 0.000 1.432) 4.093 5.404 ( -0.540 0.000 -3.688) 3.727 5.557 ( -6.393 0.000 3.766) 7.420 5.653 ( -8.150 0.000 2.189) 8.439 5.702 ( -4.015 0.000 4.562) 6.077 5.913 ( 3.764 0.000 1.192) 3.948 6.019 ( -4.789 0.000 1.727) 5.091 6.239 ( -4.401 0.000 -2.851) 5.244 6.315 ( 1.165 0.000 -9.686) 9.755 6.388 ( -5.828 0.000 -3.238) 6.667 6.843 ( 7.379 0.000 -4.897) 8.856 7.059 ( -5.657 0.000 -2.207) 6.072 7.228 ( -3.955 0.000 3.676) 5.400 7.457 ( 3.067 0.000 -1.544) 3.433 7.561 ( -0.047 0.000 2.504) 2.505 7.761 ( 1.194 0.000 -0.231) 1.216 8.338 ( 3.818 0.000 2.570) 4.602 8.651 ( 4.808 0.000 -1.892) 5.167 8.992 ( -4.671 0.000 1.685) 4.965 9.157 ( -2.909 0.000 -1.928) 3.490 9.393 ( 3.363 0.000 0.342) 3.381 9.642 ( 0.586 0.000 0.501) 0.771 9.744 ( 0.599 0.000 -3.697) 3.745 9.820 ( -4.176 0.000 2.102) 4.675 10.233 ( 4.609 0.000 0.094) 4.610 10.323 ( 4.150 0.000 2.402) 4.795 10.372 ( 3.455 0.000 -0.890) 3.568 10.814 ( -8.192 0.000 -2.267) 8.499 10.926 ( -6.129 0.000 0.523) 6.151 11.078 ( -2.629 0.000 1.945) 3.270 11.477 ( 1.434 0.000 -0.500) 1.519 11.620 ( -2.414 0.000 0.096) 2.416 12.608 ( 2.650 0.000 -1.077) 2.861 12.717 ( 3.016 0.000 0.352) 3.036 12.935 ( 0.175 0.000 -0.881) 0.898 13.194 ( 1.251 0.000 -1.204) 1.736 13.806 ( 3.043 0.000 2.527) 3.956 13.870 ( 0.790 0.000 0.142) 0.803 13.885 ( 0.112 0.000 0.016) 0.113 14.033 ( -3.772 0.000 2.507) 4.529 14.226 ( 3.535 0.000 -6.897) 7.751 14.387 ( 1.415 0.000 -5.369) 5.552 14.901 ( -5.550 0.000 -2.945) 6.283 15.159 ( -1.339 0.000 -1.893) 2.319 15.568 ( -0.192 0.000 -0.230) 0.299 15.627 ( 1.125 0.000 -1.744) 2.076 15.792 ( 4.212 0.000 3.667) 5.584 16.073 ( -2.385 0.000 4.475) 5.071 16.283 ( 3.226 0.000 -1.732) 3.662 16.456 ( 5.898 0.000 -0.967) 5.977 16.948 ( -4.437 0.000 0.864) 4.520 17.011 ( -2.293 0.000 -0.456) 2.338 19.321 ( 3.102 0.000 1.687) 3.531 19.432 ( -0.973 0.000 -1.231) 1.569 20.912 ( -1.990 0.000 1.086) 2.267 20.944 ( 0.062 0.000 -1.350) 1.352 21.668 ( 8.051 0.000 -1.604) 8.209 21.894 ( -0.610 0.000 0.531) 0.809 22.734 ( 2.971 0.000 0.381) 2.995 22.921 ( -7.406 0.000 0.018) 7.406 27.108 ( 12.958 0.000 4.255) 13.639 27.572 ( 7.450 0.000 -14.914) 16.671 28.344 ( -15.195 0.000 2.651) 15.425 28.593 ( -9.453 0.000 -5.973) 11.182 31.086 ( 3.837 0.000 1.965) 4.311 31.151 ( 1.884 0.000 2.181) 2.882 31.434 ( 5.793 0.000 1.440) 5.969 31.535 ( 1.977 0.000 5.769) 6.098 31.646 ( 6.126 0.000 1.013) 6.209 31.877 ( -4.151 0.000 1.982) 4.600 31.998 ( -4.027 0.000 -2.671) 4.833 32.217 ( -5.703 0.000 3.592) 6.740 33.361 ( 5.303 0.000 2.958) 6.072 33.391 ( 7.332 0.000 -1.568) 7.497 33.682 ( -4.941 0.000 1.713) 5.230 33.797 ( -6.045 0.000 -2.779) 6.653 35.229 ( 1.586 0.000 -1.443) 2.144 35.538 ( -0.391 0.000 4.689) 4.705 35.821 ( 3.028 0.000 -1.765) 3.505 35.888 ( -2.253 0.000 -6.019) 6.427 36.175 ( 2.117 0.000 4.273) 4.769 36.589 ( 4.830 0.000 5.110) 7.032 37.828 ( -6.361 0.000 -0.252) 6.366 38.087 ( -2.750 0.000 -2.113) 3.468 ======================= Grid point 102 (49/88) ======================= q-point: (-0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -4.285 0.000 -5.521) 6.989 1.665 ( 0.972 0.000 2.366) 2.558 1.809 ( 0.821 0.000 2.921) 3.034 2.060 ( -12.032 0.000 4.180) 12.737 2.144 ( -7.571 0.000 10.191) 12.696 2.413 ( -9.329 0.000 2.756) 9.727 2.674 ( -0.068 0.000 6.817) 6.817 2.820 ( 7.135 0.000 -2.082) 7.433 2.882 ( -3.974 0.000 5.604) 6.870 2.990 ( 2.918 0.000 7.688) 8.223 3.050 ( 0.426 0.000 -2.240) 2.281 3.246 ( 4.181 0.000 3.841) 5.678 3.440 ( 20.121 0.000 -11.072) 22.966 3.556 ( 1.027 0.000 0.419) 1.109 3.940 ( -4.801 0.000 -1.003) 4.905 4.050 ( 0.174 0.000 -7.362) 7.364 4.083 ( -0.531 0.000 1.252) 1.360 4.334 ( -9.404 0.000 4.410) 10.386 4.440 ( 1.754 0.000 4.514) 4.843 4.555 ( -0.639 0.000 -5.064) 5.104 4.740 ( 4.432 0.000 -2.273) 4.981 4.854 ( -1.695 0.000 2.161) 2.747 4.993 ( -7.781 0.000 1.468) 7.918 5.130 ( -7.965 0.000 -0.382) 7.974 5.233 ( -0.014 0.000 9.214) 9.214 5.364 ( -3.257 0.000 -2.612) 4.175 5.540 ( -0.914 0.000 -1.268) 1.563 5.553 ( 0.868 0.000 3.258) 3.372 5.692 ( 5.081 0.000 0.094) 5.082 5.873 ( -3.855 0.000 5.223) 6.492 6.047 ( 3.841 0.000 1.266) 4.044 6.214 ( -0.092 0.000 -3.058) 3.059 6.298 ( 0.024 0.000 -1.447) 1.447 6.418 ( 7.028 0.000 -5.853) 9.146 6.904 ( -1.074 0.000 -3.200) 3.376 6.997 ( -0.233 0.000 -1.639) 1.656 7.242 ( 6.075 0.000 -0.772) 6.124 7.530 ( 5.799 0.000 -2.740) 6.414 7.614 ( 3.543 0.000 2.581) 4.384 7.730 ( -4.440 0.000 0.231) 4.446 8.363 ( -2.467 0.000 1.818) 3.064 8.690 ( -1.449 0.000 -3.869) 4.132 8.954 ( 1.953 0.000 3.297) 3.832 9.079 ( -4.463 0.000 -0.328) 4.475 9.472 ( 4.556 0.000 -1.103) 4.688 9.591 ( -6.255 0.000 -1.009) 6.336 9.690 ( -0.429 0.000 1.921) 1.968 9.880 ( 5.969 0.000 -1.002) 6.052 10.284 ( -2.892 0.000 -0.566) 2.947 10.355 ( 5.962 0.000 -2.701) 6.545 10.523 ( -4.575 0.000 -1.030) 4.689 10.640 ( 2.954 0.000 1.734) 3.426 10.839 ( -1.165 0.000 3.370) 3.566 11.123 ( 5.239 0.000 0.539) 5.266 11.497 ( 0.546 0.000 -1.184) 1.304 11.591 ( -0.365 0.000 0.928) 0.997 12.617 ( -1.500 0.000 -1.320) 1.998 12.727 ( -2.282 0.000 0.006) 2.282 12.929 ( -0.482 0.000 -0.774) 0.911 13.188 ( -1.824 0.000 -0.922) 2.044 13.783 ( -8.050 0.000 2.581) 8.453 13.849 ( 0.291 0.000 0.186) 0.345 13.882 ( 3.930 0.000 0.060) 3.930 14.120 ( 6.852 0.000 1.235) 6.962 14.292 ( 1.975 0.000 -2.096) 2.880 14.343 ( -3.987 0.000 -11.056) 11.753 14.835 ( -0.182 0.000 0.209) 0.277 15.185 ( 3.258 0.000 -3.646) 4.890 15.578 ( 1.205 0.000 -0.620) 1.355 15.618 ( -1.244 0.000 -1.269) 1.777 15.833 ( -2.782 0.000 1.089) 2.988 16.064 ( 4.753 0.000 5.741) 7.453 16.281 ( -5.214 0.000 -1.827) 5.525 16.468 ( -4.922 0.000 -0.792) 4.985 16.913 ( 1.668 0.000 1.158) 2.031 17.015 ( 2.424 0.000 -0.067) 2.425 19.357 ( -0.311 0.000 2.062) 2.086 19.396 ( -1.784 0.000 -1.562) 2.372 20.881 ( -0.748 0.000 0.980) 1.233 20.973 ( 2.486 0.000 -1.066) 2.705 21.685 ( -7.024 0.000 -2.207) 7.363 21.894 ( 1.443 0.000 0.652) 1.583 22.783 ( -2.680 0.000 -1.393) 3.020 22.874 ( 6.945 0.000 1.579) 7.122 27.145 ( -10.037 0.000 5.650) 11.518 27.446 ( -17.370 0.000 -12.822) 21.590 28.325 ( 14.000 0.000 2.587) 14.237 28.678 ( 15.897 0.000 -8.539) 18.045 31.082 ( -5.086 0.000 2.085) 5.497 31.152 ( -1.389 0.000 2.136) 2.548 31.482 ( -2.335 0.000 -0.416) 2.372 31.538 ( -0.670 0.000 5.515) 5.555 31.688 ( -2.448 0.000 0.183) 2.455 31.823 ( -3.299 0.000 2.195) 3.963 31.972 ( 4.524 0.000 -0.206) 4.528 32.206 ( 4.097 0.000 4.233) 5.891 33.324 ( -7.455 0.000 1.400) 7.586 33.439 ( -5.607 0.000 -0.419) 5.623 33.668 ( 4.860 0.000 2.119) 5.302 33.793 ( 5.793 0.000 -2.749) 6.412 35.256 ( 1.208 0.000 -2.505) 2.781 35.487 ( -4.760 0.000 5.191) 7.043 35.818 ( -1.935 0.000 -1.689) 2.568 35.921 ( 4.691 0.000 -5.597) 7.303 36.231 ( 2.929 0.000 2.336) 3.746 36.657 ( 0.962 0.000 2.918) 3.073 37.708 ( -3.290 0.000 2.290) 4.008 38.135 ( 6.148 0.000 -2.533) 6.650 ======================= Grid point 103 (50/88) ======================= q-point: (-0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -9.069 0.000 -8.870) 12.686 1.670 ( -2.667 0.000 4.912) 5.589 1.747 ( -12.105 0.000 5.300) 13.215 1.919 ( -3.488 0.000 10.203) 10.783 2.028 ( 1.040 0.000 2.666) 2.861 2.343 ( 2.479 0.000 4.298) 4.961 2.592 ( -7.220 0.000 8.906) 11.465 2.711 ( -7.269 0.000 9.057) 11.613 2.929 ( -2.337 0.000 6.367) 6.783 3.035 ( -4.901 0.000 0.285) 4.909 3.145 ( 8.553 0.000 4.302) 9.574 3.369 ( 8.369 0.000 -5.821) 10.195 3.566 ( 0.047 0.000 8.053) 8.053 3.733 ( 0.984 0.000 2.894) 3.057 3.768 ( -9.446 0.000 -4.448) 10.441 3.969 ( -0.589 0.000 0.808) 0.999 4.129 ( -2.393 0.000 -2.501) 3.462 4.186 ( 4.250 0.000 -5.041) 6.594 4.453 ( -2.629 0.000 1.455) 3.005 4.539 ( -0.422 0.000 -11.720) 11.727 4.677 ( 0.292 0.000 -2.976) 2.990 4.844 ( -0.493 0.000 -1.744) 1.813 4.913 ( -6.239 0.000 -3.998) 7.409 5.028 ( -14.758 0.000 -9.398) 17.497 5.135 ( 6.848 0.000 6.658) 9.551 5.298 ( -3.901 0.000 2.277) 4.517 5.502 ( 0.594 0.000 0.442) 0.740 5.724 ( 9.723 0.000 5.295) 11.072 5.798 ( 3.406 0.000 -0.008) 3.406 5.910 ( 6.451 0.000 9.722) 11.668 6.086 ( 1.249 0.000 -0.969) 1.581 6.180 ( -2.220 0.000 1.967) 2.966 6.376 ( 5.089 0.000 2.683) 5.753 6.573 ( 8.721 0.000 -1.997) 8.947 6.890 ( 0.094 0.000 -5.823) 5.824 7.011 ( 1.957 0.000 2.556) 3.219 7.387 ( 6.329 0.000 -3.179) 7.083 7.566 ( -8.137 0.000 -3.143) 8.723 7.693 ( 5.460 0.000 1.198) 5.590 7.721 ( 9.548 0.000 -0.499) 9.561 8.249 ( -8.435 0.000 0.813) 8.474 8.588 ( -7.802 0.000 -3.424) 8.520 9.008 ( -1.915 0.000 1.124) 2.221 9.062 ( 7.388 0.000 4.340) 8.569 9.506 ( -1.511 0.000 -0.693) 1.662 9.569 ( 5.150 0.000 -2.241) 5.616 9.694 ( 0.134 0.000 0.811) 0.822 9.975 ( 2.879 0.000 -2.915) 4.096 10.170 ( -10.007 0.000 2.503) 10.316 10.319 ( -7.105 0.000 -2.638) 7.579 10.488 ( 5.651 0.000 -4.270) 7.083 10.673 ( -1.804 0.000 3.653) 4.074 11.027 ( 15.981 0.000 3.091) 16.277 11.245 ( 6.630 0.000 0.339) 6.639 11.516 ( 2.225 0.000 -0.967) 2.426 11.614 ( 2.775 0.000 1.939) 3.386 12.545 ( -5.695 0.000 -1.504) 5.890 12.607 ( -9.945 0.000 0.636) 9.965 12.938 ( 1.580 0.000 -1.331) 2.065 13.136 ( -3.050 0.000 -1.342) 3.333 13.627 ( -7.396 0.000 1.990) 7.659 13.879 ( 2.258 0.000 0.295) 2.278 13.972 ( 3.662 0.000 -2.368) 4.360 14.092 ( -9.107 0.000 -6.508) 11.193 14.257 ( 0.055 0.000 -1.151) 1.152 14.387 ( 3.906 0.000 -3.813) 5.458 14.904 ( 6.389 0.000 1.291) 6.518 15.239 ( 2.280 0.000 -3.453) 4.137 15.555 ( -3.565 0.000 -0.453) 3.594 15.642 ( 2.278 0.000 0.099) 2.280 15.780 ( 0.615 0.000 1.181) 1.332 16.057 ( -11.733 0.000 -0.409) 11.740 16.200 ( -2.053 0.000 0.758) 2.188 16.321 ( -4.244 0.000 -0.048) 4.244 16.987 ( 4.459 0.000 1.295) 4.643 17.077 ( 3.243 0.000 0.321) 3.259 19.299 ( -4.524 0.000 1.654) 4.817 19.375 ( -1.245 0.000 -1.273) 1.781 20.895 ( 2.275 0.000 0.795) 2.410 21.029 ( 3.097 0.000 -0.717) 3.179 21.493 ( -10.631 0.000 -2.016) 10.820 21.867 ( -5.059 0.000 0.293) 5.067 22.774 ( 2.784 0.000 -1.928) 3.387 23.037 ( 8.003 0.000 1.321) 8.111 26.848 ( -17.206 0.000 4.590) 17.807 27.012 ( -23.936 0.000 -11.847) 26.708 28.752 ( 25.700 0.000 3.129) 25.889 29.086 ( 24.093 0.000 -7.237) 25.157 30.922 ( -10.428 0.000 3.664) 11.053 31.088 ( -4.924 0.000 2.357) 5.460 31.394 ( -5.806 0.000 -0.923) 5.878 31.492 ( -3.473 0.000 3.550) 4.967 31.576 ( -6.862 0.000 0.946) 6.927 31.767 ( -3.998 0.000 -0.336) 4.012 32.147 ( 11.963 0.000 0.676) 11.982 32.329 ( 7.118 0.000 2.080) 7.416 33.132 ( -11.311 0.000 2.183) 11.520 33.271 ( -9.510 0.000 0.702) 9.536 33.793 ( 6.243 0.000 2.005) 6.557 33.936 ( 7.461 0.000 -3.450) 8.220 35.272 ( 0.525 0.000 -2.737) 2.787 35.382 ( -5.300 0.000 3.675) 6.450 35.790 ( -0.710 0.000 -1.624) 1.772 36.011 ( 4.302 0.000 -3.347) 5.451 36.276 ( 1.076 0.000 -0.580) 1.223 36.601 ( -6.451 0.000 -1.457) 6.614 37.765 ( 8.887 0.000 10.352) 13.643 38.284 ( 8.444 0.000 -4.857) 9.742 ======================= Grid point 104 (51/88) ======================= q-point: (-0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -5.734 0.000 6.339) 8.548 1.476 ( 0.072 0.000 17.345) 17.345 1.666 ( -2.334 0.000 -0.856) 2.486 1.841 ( -5.287 0.000 6.403) 8.304 2.092 ( 1.304 0.000 -0.191) 1.318 2.397 ( -3.020 0.000 -0.986) 3.177 2.474 ( 5.474 0.000 10.843) 12.146 2.701 ( 2.199 0.000 11.065) 11.282 2.798 ( -10.111 0.000 20.750) 23.083 2.904 ( -7.141 0.000 -1.382) 7.274 3.054 ( -12.041 0.000 2.185) 12.237 3.426 ( -10.565 0.000 7.759) 13.108 3.473 ( -3.679 0.000 2.238) 4.307 3.694 ( -1.586 0.000 3.084) 3.468 3.785 ( 10.735 0.000 -7.838) 13.292 3.956 ( -1.937 0.000 2.357) 3.051 4.203 ( 9.288 0.000 -6.648) 11.422 4.300 ( 3.311 0.000 -10.919) 11.410 4.421 ( 3.010 0.000 -8.670) 9.178 4.532 ( -2.907 0.000 -5.750) 6.443 4.696 ( -4.341 0.000 -5.975) 7.385 4.755 ( -0.844 0.000 -3.759) 3.853 4.846 ( 1.313 0.000 -7.527) 7.641 4.904 ( -2.262 0.000 -1.187) 2.554 5.183 ( 3.183 0.000 -2.402) 3.988 5.266 ( -1.993 0.000 5.074) 5.452 5.557 ( 4.811 0.000 2.081) 5.242 5.794 ( -2.739 0.000 2.690) 3.838 5.852 ( 2.386 0.000 0.363) 2.414 6.110 ( 10.330 0.000 13.045) 16.640 6.136 ( 3.133 0.000 1.588) 3.512 6.151 ( 1.467 0.000 0.403) 1.521 6.419 ( -1.137 0.000 4.079) 4.234 6.735 ( 5.817 0.000 -0.984) 5.900 6.903 ( 1.898 0.000 -3.228) 3.744 7.065 ( 2.139 0.000 1.490) 2.607 7.357 ( -5.301 0.000 -1.265) 5.450 7.500 ( 0.006 0.000 -3.660) 3.660 7.809 ( 6.241 0.000 -5.420) 8.266 7.943 ( 9.999 0.000 2.301) 10.260 8.062 ( -8.205 0.000 0.107) 8.206 8.414 ( -9.150 0.000 -2.227) 9.417 9.019 ( 2.501 0.000 -0.345) 2.525 9.209 ( 6.691 0.000 5.309) 8.542 9.518 ( 2.199 0.000 -0.414) 2.238 9.647 ( 0.587 0.000 -3.531) 3.579 9.689 ( -0.542 0.000 -1.014) 1.150 9.949 ( -8.700 0.000 3.426) 9.350 9.984 ( -1.457 0.000 -4.517) 4.746 10.237 ( -2.075 0.000 -0.845) 2.240 10.592 ( 4.791 0.000 -3.021) 5.664 10.633 ( -2.223 0.000 3.553) 4.191 11.333 ( 11.762 0.000 1.315) 11.835 11.383 ( 9.435 0.000 1.552) 9.562 11.582 ( 3.317 0.000 -1.160) 3.514 11.704 ( 6.046 0.000 3.723) 7.101 12.349 ( -13.769 0.000 0.013) 13.769 12.419 ( -8.036 0.000 -1.366) 8.151 12.970 ( 0.916 0.000 -1.827) 2.044 13.079 ( -1.765 0.000 -0.169) 1.773 13.509 ( -4.102 0.000 -0.039) 4.102 13.768 ( -13.899 0.000 -6.856) 15.498 13.982 ( 2.836 0.000 1.892) 3.410 14.081 ( 3.862 0.000 -0.040) 3.862 14.223 ( -3.169 0.000 -0.930) 3.303 14.435 ( 1.135 0.000 -3.838) 4.002 15.053 ( 8.419 0.000 1.476) 8.548 15.308 ( 5.508 0.000 -1.981) 5.854 15.453 ( -6.572 0.000 1.197) 6.680 15.619 ( -6.081 0.000 0.354) 6.091 15.792 ( -5.070 0.000 -1.693) 5.345 15.937 ( 6.365 0.000 1.208) 6.479 15.993 ( -11.339 0.000 -2.285) 11.567 16.358 ( 0.960 0.000 1.583) 1.852 17.056 ( 2.125 0.000 1.245) 2.463 17.129 ( 1.907 0.000 0.376) 1.944 19.206 ( -4.461 0.000 1.927) 4.859 19.346 ( -1.119 0.000 -1.732) 2.062 20.956 ( 3.008 0.000 0.270) 3.020 21.087 ( 2.534 0.000 -0.520) 2.586 21.310 ( -7.005 0.000 -1.142) 7.097 21.725 ( -7.648 0.000 -0.238) 7.652 22.869 ( 5.710 0.000 -0.699) 5.752 23.161 ( 4.116 0.000 0.565) 4.154 26.542 ( -13.712 0.000 0.868) 13.739 26.574 ( -16.504 0.000 -3.283) 16.828 29.254 ( 23.595 0.000 2.897) 23.772 29.539 ( 19.016 0.000 -5.724) 19.859 30.716 ( -8.875 0.000 4.550) 9.973 30.981 ( -5.563 0.000 1.829) 5.856 31.287 ( -4.287 0.000 -1.061) 4.416 31.434 ( -2.618 0.000 0.602) 2.686 31.466 ( -3.702 0.000 -1.265) 3.912 31.621 ( -10.011 0.000 -0.318) 10.016 32.413 ( 14.129 0.000 1.378) 14.196 32.472 ( 7.410 0.000 0.077) 7.410 32.899 ( -12.086 0.000 3.518) 12.587 33.094 ( -8.317 0.000 0.469) 8.330 33.895 ( 3.757 0.000 1.609) 4.087 34.055 ( 4.477 0.000 -3.506) 5.686 35.251 ( -2.923 0.000 0.982) 3.083 35.325 ( 0.006 0.000 -1.017) 1.017 35.789 ( 0.703 0.000 -0.561) 0.899 36.065 ( 0.075 0.000 -4.713) 4.713 36.243 ( -4.341 0.000 -2.170) 4.853 36.468 ( -4.756 0.000 1.114) 4.885 38.011 ( 12.764 0.000 9.074) 15.661 38.433 ( 6.401 0.000 -5.445) 8.403 ======================= Grid point 105 (52/88) ======================= q-point: ( 0.00 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -2.215 8.935 15.744) 18.238 1.527 ( -4.953 10.393 8.374) 14.236 1.732 ( -2.467 2.815 9.550) 10.257 1.967 ( 15.035 7.864 11.554) 20.527 2.133 ( -1.936 5.163 5.652) 7.896 2.391 ( -4.767 3.817 0.456) 6.124 2.554 ( -1.507 -3.187 8.416) 9.125 2.664 ( -0.231 2.497 -0.094) 2.509 2.778 ( -2.676 2.712 9.012) 9.784 2.850 ( 0.840 5.406 2.864) 6.175 3.080 ( 8.012 8.327 1.033) 11.602 3.166 ( -6.568 -4.388 0.626) 7.924 3.401 ( -3.076 -6.820 1.531) 7.636 3.607 ( -1.361 3.876 8.411) 9.361 3.935 ( -0.134 -2.127 -2.854) 3.562 4.086 ( 7.271 4.758 -3.759) 9.468 4.138 ( -6.039 -2.535 -4.440) 7.912 4.325 ( -2.256 -0.085 -0.570) 2.328 4.434 ( -3.402 2.238 -4.314) 5.933 4.543 ( -2.165 1.808 -3.185) 4.255 4.643 ( 4.005 -1.071 -8.162) 9.154 4.726 ( -2.246 3.486 -7.019) 8.152 4.935 ( 0.125 -0.239 -3.374) 3.384 5.029 ( 6.426 7.183 -5.475) 11.084 5.193 ( 1.273 2.506 -2.084) 3.499 5.380 ( 7.151 2.633 -0.540) 7.639 5.614 ( 4.870 -0.374 3.088) 5.779 5.784 ( -1.901 -1.011 -0.454) 2.200 5.895 ( -4.418 4.039 3.056) 6.721 6.083 ( -3.666 -0.670 -0.654) 3.784 6.182 ( 3.679 0.081 7.773) 8.600 6.352 ( 3.585 1.244 5.786) 6.919 6.426 ( -0.756 3.913 1.645) 4.312 6.752 ( -1.906 -3.241 -5.121) 6.353 6.960 ( 2.704 -0.496 3.818) 4.704 7.052 ( -3.632 1.230 -0.920) 3.944 7.327 ( -0.513 1.185 -2.071) 2.440 7.481 ( -2.045 1.676 -2.664) 3.754 7.812 ( -6.232 0.067 -3.057) 6.942 7.978 ( 3.612 0.313 -0.095) 3.627 8.162 ( 4.703 -1.358 -0.062) 4.896 8.253 ( -3.055 1.840 -2.831) 4.554 9.021 ( 1.162 -4.174 -0.508) 4.362 9.293 ( 3.324 -1.776 4.508) 5.876 9.459 ( -6.398 -3.898 -1.471) 7.634 9.564 ( -1.003 -2.015 -0.873) 2.415 9.634 ( 0.623 -3.196 -2.349) 4.015 9.838 ( -1.855 -3.745 1.468) 4.430 9.994 ( 2.343 -0.142 -2.216) 3.228 10.233 ( 0.712 -0.031 -0.865) 1.120 10.532 ( -3.422 -2.341 1.970) 4.591 10.658 ( 3.483 -3.026 -1.416) 4.826 11.417 ( 0.992 -3.080 1.775) 3.691 11.494 ( -0.015 -3.367 -0.871) 3.478 11.614 ( -0.132 -0.703 0.546) 0.900 11.771 ( 1.480 -2.957 2.660) 4.244 12.174 ( -1.235 1.823 0.996) 2.417 12.282 ( -1.630 -0.309 0.271) 1.681 12.988 ( 1.063 -0.411 -1.242) 1.686 13.059 ( 0.779 -1.866 -0.775) 2.166 13.478 ( 0.538 0.722 -1.214) 1.511 13.549 ( -1.301 -0.332 -0.166) 1.353 13.979 ( -1.350 -1.197 3.126) 3.609 14.123 ( 1.142 -2.562 -1.807) 3.337 14.246 ( 0.321 4.198 -2.182) 4.742 14.429 ( -2.060 -0.285 -4.190) 4.678 15.237 ( 5.390 2.082 1.271) 5.916 15.324 ( -4.660 1.053 0.636) 4.820 15.419 ( 1.201 -0.626 -1.094) 1.741 15.485 ( 0.216 0.362 -0.665) 0.787 15.771 ( -1.770 -0.259 -1.418) 2.283 15.839 ( -0.047 1.798 0.035) 1.798 16.025 ( -0.137 -4.850 2.438) 5.430 16.247 ( 0.795 -5.301 2.912) 6.100 17.095 ( 0.803 1.026 1.022) 1.656 17.153 ( 0.301 0.236 0.207) 0.435 19.181 ( -0.368 2.659 2.224) 3.486 19.359 ( 1.523 0.782 -1.953) 2.598 20.994 ( -0.364 0.959 -0.075) 1.028 21.100 ( -1.062 -0.713 -0.890) 1.558 21.293 ( -0.989 5.068 -0.651) 5.205 21.625 ( 0.361 -1.712 -0.005) 1.750 22.975 ( -0.731 3.837 -1.196) 4.085 23.199 ( 0.612 -0.549 0.801) 1.148 26.403 ( 0.441 -0.200 0.156) 0.509 26.423 ( 3.002 -0.700 0.025) 3.082 29.553 ( 0.721 -1.615 2.990) 3.474 29.683 ( -3.372 1.079 -4.156) 5.459 30.641 ( 5.131 -3.532 2.106) 6.575 30.807 ( -3.321 -7.302 1.716) 8.203 31.158 ( -2.035 -1.790 0.688) 2.796 31.291 ( -0.914 -2.111 0.286) 2.318 31.490 ( -4.845 3.780 1.322) 6.286 31.617 ( 6.948 1.731 -3.276) 7.875 32.550 ( -4.893 0.195 1.181) 5.037 32.605 ( 2.586 -1.029 -0.893) 2.923 32.771 ( 7.095 -1.274 4.264) 8.375 32.906 ( -4.245 -4.270 1.129) 6.126 33.950 ( 0.134 1.392 1.191) 1.837 34.098 ( 0.167 -0.341 -3.670) 3.690 35.260 ( -1.947 5.515 2.010) 6.184 35.400 ( 2.557 4.722 -2.263) 5.827 35.845 ( 1.546 1.531 0.665) 2.275 35.934 ( -7.652 -1.389 -0.468) 7.791 36.242 ( 1.309 2.414 0.926) 2.898 36.423 ( -0.723 0.569 1.021) 1.374 38.123 ( 0.102 -2.417 3.390) 4.165 38.448 ( 0.432 -5.465 -5.966) 8.102 ======================= Grid point 106 (53/88) ======================= q-point: ( 0.14 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.581 5.917 8.997) 10.784 1.411 ( 3.535 21.169 9.897) 23.634 1.762 ( 3.053 -2.033 1.219) 3.865 2.031 ( -3.771 2.580 6.869) 8.250 2.243 ( 1.782 6.248 4.032) 7.646 2.424 ( 8.957 1.345 8.014) 12.094 2.515 ( 2.515 0.683 8.748) 9.128 2.645 ( 1.019 2.037 2.163) 3.141 2.796 ( -0.863 6.994 9.326) 11.689 2.927 ( 4.686 2.572 2.004) 5.709 3.041 ( 1.593 1.143 4.320) 4.744 3.326 ( -3.738 -6.152 3.490) 8.000 3.428 ( 14.861 -1.558 1.983) 15.073 3.644 ( 2.694 6.555 5.774) 9.141 3.900 ( -1.312 -1.820 -2.184) 3.131 4.002 ( -7.160 -0.629 -1.896) 7.433 4.075 ( -5.770 1.394 -5.587) 8.152 4.269 ( -0.057 2.449 -1.075) 2.675 4.415 ( -0.780 2.859 -1.033) 3.138 4.501 ( -2.439 4.011 -5.596) 7.304 4.643 ( -0.559 5.174 -7.553) 9.172 4.742 ( 2.018 -1.748 -6.399) 6.933 4.921 ( 1.418 -4.956 -4.410) 6.784 5.069 ( -0.967 6.804 -1.758) 7.094 5.330 ( 8.865 3.331 -6.798) 11.658 5.475 ( 2.275 1.292 -1.180) 2.870 5.665 ( -8.369 -2.221 -2.050) 8.898 5.721 ( 4.076 2.572 2.460) 5.411 5.842 ( -2.504 -1.697 0.626) 3.089 5.995 ( -3.261 4.019 4.856) 7.098 6.230 ( -0.938 -1.452 7.448) 7.646 6.346 ( -2.137 1.809 -0.890) 2.938 6.403 ( -1.270 3.185 5.345) 6.351 6.719 ( -3.179 -6.748 -3.025) 8.050 6.873 ( -7.526 2.283 -1.450) 7.997 7.081 ( 3.833 0.743 3.075) 4.970 7.318 ( -0.551 2.040 -3.615) 4.188 7.403 ( -4.484 0.868 0.870) 4.650 7.711 ( -1.712 3.879 0.324) 4.252 7.959 ( -9.604 0.394 -0.868) 9.651 8.186 ( 4.266 0.573 -2.903) 5.192 8.325 ( 6.550 -2.007 -0.218) 6.854 9.050 ( 1.986 -5.025 0.474) 5.424 9.258 ( -7.358 -0.556 -0.001) 7.379 9.381 ( 0.625 0.992 3.080) 3.295 9.560 ( -0.195 -4.970 -0.537) 5.003 9.649 ( 1.087 -3.334 -2.886) 4.541 9.822 ( 0.516 -3.429 2.209) 4.111 10.066 ( 4.022 -2.270 -2.118) 5.081 10.245 ( -0.277 -1.386 0.236) 1.433 10.467 ( -2.396 0.866 0.809) 2.673 10.719 ( 2.607 -4.464 -2.071) 5.569 11.333 ( -9.138 -2.669 0.158) 9.521 11.386 ( -8.962 -2.713 0.294) 9.368 11.528 ( -5.431 0.977 1.074) 5.621 11.750 ( -3.116 -2.090 0.888) 3.856 12.314 ( 11.204 0.855 1.266) 11.308 12.389 ( 10.651 -0.141 0.450) 10.661 12.972 ( -2.046 -0.365 -1.408) 2.511 13.083 ( 1.972 -2.773 -1.745) 3.824 13.586 ( 7.527 0.722 -0.141) 7.563 13.629 ( 8.434 0.541 -2.983) 8.962 13.930 ( -1.961 -1.872 1.280) 2.998 14.092 ( -3.432 -1.723 -1.887) 4.279 14.283 ( 0.992 1.057 -1.118) 1.831 14.373 ( -2.651 -0.376 -2.302) 3.531 15.164 ( -6.526 2.371 -3.147) 7.623 15.265 ( -3.922 -1.259 -0.347) 4.133 15.470 ( 5.692 1.037 1.111) 5.891 15.626 ( 4.307 -0.269 0.248) 4.323 15.762 ( 3.618 0.863 0.408) 3.742 15.875 ( -3.026 -3.309 2.985) 5.386 15.996 ( 6.864 -0.713 -1.276) 7.018 16.291 ( 1.503 -3.519 1.293) 4.039 17.091 ( -1.561 0.437 0.709) 1.769 17.141 ( -1.631 0.285 -0.282) 1.680 19.209 ( 2.777 2.738 1.973) 4.370 19.402 ( 2.435 0.945 -2.247) 3.445 20.975 ( -1.195 -0.213 -0.022) 1.214 21.034 ( -4.474 -0.512 0.198) 4.507 21.350 ( 6.505 4.714 -0.817) 8.075 21.703 ( 6.280 -1.720 0.119) 6.513 22.896 ( -5.908 4.140 -0.435) 7.227 23.172 ( -3.619 -0.891 0.411) 3.749 26.502 ( 10.546 0.432 0.506) 10.567 26.717 ( 22.827 -4.094 -7.735) 24.447 29.266 ( -23.402 0.097 3.522) 23.665 29.447 ( -20.974 -1.378 -3.185) 21.260 30.801 ( 8.879 -3.628 2.009) 9.799 30.873 ( 8.260 -2.726 3.461) 9.362 31.174 ( 3.968 0.606 1.670) 4.348 31.331 ( 4.938 -0.038 1.569) 5.181 31.456 ( 0.582 1.821 2.333) 3.017 31.790 ( 9.055 -3.075 -6.649) 11.647 32.334 ( -12.524 0.741 2.126) 12.724 32.526 ( -8.961 -3.014 -0.477) 9.466 32.959 ( 9.112 -1.269 3.257) 9.759 33.013 ( 11.661 -3.120 0.591) 12.086 33.913 ( -3.855 1.220 1.108) 4.192 34.055 ( -4.272 -0.370 -3.590) 5.592 35.240 ( -0.207 5.105 1.333) 5.280 35.469 ( 4.509 5.210 -1.852) 7.135 35.789 ( -4.056 -1.808 1.462) 4.675 35.918 ( 3.014 3.089 2.251) 4.867 36.267 ( 0.409 4.827 -0.866) 4.921 36.418 ( 0.572 -0.203 2.577) 2.647 38.028 ( -7.808 -1.948 5.702) 9.863 38.377 ( -7.158 -5.607 -6.493) 11.173 ======================= Grid point 107 (54/88) ======================= q-point: ( 0.29 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 6.930 16.088 9.140) 19.759 1.600 ( 8.470 0.505 -2.881) 8.961 1.837 ( 3.685 -2.836 -0.318) 4.660 1.977 ( 2.710 2.103 8.182) 8.871 2.346 ( 6.353 4.924 -2.544) 8.431 2.476 ( 1.526 3.449 10.519) 11.175 2.597 ( 0.976 0.853 -0.880) 1.567 2.733 ( 0.686 5.666 5.760) 8.109 2.761 ( 4.100 0.249 7.892) 8.897 2.983 ( 0.673 6.903 0.778) 6.980 3.132 ( -0.304 -0.835 3.726) 3.830 3.204 ( -2.250 -0.888 4.019) 4.691 3.584 ( -8.203 -0.730 6.859) 10.718 3.699 ( 2.678 14.024 7.297) 16.034 3.860 ( 3.930 -4.432 -1.525) 6.117 3.959 ( 3.321 0.201 -1.467) 3.636 4.042 ( 3.768 0.485 -1.512) 4.089 4.282 ( -2.496 -1.168 -2.811) 3.937 4.398 ( 0.890 2.816 -4.519) 5.398 4.445 ( -0.825 6.048 -2.805) 6.718 4.679 ( 4.435 0.230 -5.697) 7.224 4.765 ( 1.682 -2.426 -0.830) 3.066 5.015 ( 1.772 0.704 -0.411) 1.951 5.044 ( 3.468 -0.373 -4.741) 5.886 5.377 ( -3.471 3.109 4.421) 6.423 5.471 ( -4.047 -3.535 -8.972) 10.458 5.583 ( 1.997 0.566 -0.890) 2.258 5.718 ( -2.939 -2.287 2.630) 4.559 5.797 ( -0.847 5.197 -1.460) 5.465 5.995 ( -0.133 0.217 6.341) 6.346 6.126 ( -7.791 2.749 5.826) 10.110 6.316 ( -2.670 -0.372 -2.264) 3.521 6.373 ( -2.545 2.352 -0.009) 3.465 6.579 ( -9.093 -1.372 -5.069) 10.500 6.779 ( 0.673 4.103 -2.500) 4.852 7.132 ( -1.603 -1.543 2.209) 3.135 7.301 ( 0.671 2.247 1.214) 2.641 7.374 ( 0.960 -1.069 -2.541) 2.919 7.684 ( -7.626 2.458 1.854) 8.224 7.766 ( -2.223 3.048 -1.089) 3.927 8.260 ( 3.381 0.028 0.348) 3.399 8.477 ( 7.993 -4.011 -0.972) 8.996 9.064 ( -2.565 -4.663 2.469) 5.867 9.144 ( -2.137 -0.174 -2.211) 3.080 9.391 ( 0.046 1.939 0.693) 2.060 9.565 ( 0.868 -5.764 0.807) 5.884 9.674 ( 1.757 -3.022 -3.130) 4.693 9.847 ( 0.486 -3.032 2.442) 3.923 10.133 ( 2.661 -3.424 1.081) 4.469 10.225 ( 0.466 -0.714 1.213) 1.483 10.439 ( -1.502 2.899 -2.227) 3.952 10.764 ( 2.212 -5.204 -1.957) 5.984 11.111 ( -12.004 -1.982 -0.504) 12.177 11.192 ( -9.990 -2.591 1.726) 10.464 11.475 ( -0.290 1.502 0.458) 1.597 11.680 ( -3.391 -0.526 -0.171) 3.436 12.515 ( 8.380 1.168 0.231) 8.465 12.602 ( 9.201 -0.101 0.509) 9.215 12.944 ( -0.486 0.652 -1.144) 1.404 13.127 ( 2.461 -2.883 -2.056) 4.312 13.707 ( 4.724 -0.133 3.328) 5.781 13.774 ( 4.893 -0.142 -1.916) 5.256 13.922 ( -1.564 -2.915 -1.892) 3.811 14.073 ( 4.584 0.067 -5.467) 7.135 14.226 ( -5.479 0.468 1.024) 5.594 14.347 ( -0.348 -0.976 -1.823) 2.097 15.032 ( -6.835 1.021 -3.892) 7.932 15.199 ( -3.020 -1.639 -1.730) 3.848 15.563 ( 2.921 0.543 0.150) 2.975 15.613 ( -1.380 1.161 1.557) 2.382 15.764 ( -1.632 -0.308 2.245) 2.793 15.963 ( 8.343 -2.023 3.051) 9.111 16.208 ( 9.273 -2.558 -1.006) 9.671 16.296 ( 1.788 -1.817 -1.577) 2.997 17.035 ( -3.950 -0.037 0.936) 4.060 17.083 ( -4.099 -0.011 -0.819) 4.180 19.278 ( 3.719 2.661 1.821) 4.922 19.439 ( 1.245 0.844 -1.506) 2.128 20.942 ( -2.080 -0.672 -0.521) 2.247 20.964 ( -2.387 -0.634 0.536) 2.528 21.520 ( 10.023 4.269 -1.084) 10.948 21.832 ( 5.877 -1.183 0.813) 6.049 22.787 ( -4.258 3.762 -0.583) 5.712 23.063 ( -7.005 -0.885 0.365) 7.071 26.792 ( 17.687 1.381 1.936) 17.846 27.187 ( 23.095 -5.800 -13.412) 27.330 28.775 ( -24.916 1.062 3.212) 25.145 28.964 ( -24.885 -1.080 -2.930) 25.080 30.965 ( 7.295 -1.174 1.951) 7.642 31.038 ( 7.090 -1.889 3.699) 8.217 31.301 ( 7.847 0.746 1.450) 8.015 31.461 ( 5.502 0.989 3.656) 6.680 31.506 ( 5.844 0.083 2.449) 6.337 31.906 ( 2.349 -4.507 -4.213) 6.602 32.105 ( -10.212 0.718 0.819) 10.270 32.333 ( -9.826 -3.853 1.586) 10.673 33.162 ( 10.636 -0.879 1.960) 10.851 33.223 ( 9.580 -1.875 0.642) 9.783 33.809 ( -6.431 0.878 1.217) 6.604 33.937 ( -7.216 -0.544 -3.296) 7.952 35.250 ( 1.072 4.799 0.121) 4.918 35.557 ( 3.605 5.426 1.604) 6.709 35.756 ( 0.750 -2.142 -1.165) 2.551 35.971 ( 1.672 3.773 0.644) 4.177 36.242 ( -2.281 7.174 -0.299) 7.533 36.468 ( 4.215 -1.859 3.999) 6.100 37.892 ( -5.511 -2.597 5.163) 7.986 38.187 ( -10.644 -5.462 -5.966) 13.368 ======================= Grid point 108 (55/88) ======================= q-point: ( 0.43 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 2.100 0.132 7.174) 7.476 1.648 ( 0.643 0.485 0.184) 0.826 1.858 ( 0.709 4.629 3.001) 5.562 2.187 ( 7.857 3.002 -2.308) 8.722 2.329 ( -7.839 0.488 1.690) 8.034 2.515 ( 3.123 1.006 7.032) 7.760 2.606 ( 0.664 -0.278 -0.831) 1.099 2.799 ( -0.122 1.657 10.127) 10.263 2.865 ( 9.943 8.568 -1.254) 13.185 2.989 ( -1.739 5.254 3.932) 6.789 3.086 ( 5.706 7.522 -3.599) 10.104 3.200 ( -5.185 -1.653 -5.440) 7.695 3.443 ( -5.617 1.044 11.324) 12.684 3.577 ( -2.014 10.988 -1.829) 11.320 3.940 ( -0.808 -2.979 -2.809) 4.173 4.057 ( 0.567 1.054 3.083) 3.307 4.148 ( -0.407 3.075 -3.494) 4.672 4.287 ( 9.239 -1.562 3.215) 9.906 4.427 ( 4.269 3.198 -3.393) 6.321 4.519 ( 6.603 0.164 4.597) 8.048 4.709 ( -1.780 1.608 -2.719) 3.626 4.844 ( 3.460 -2.420 3.312) 5.366 5.011 ( 0.403 -1.322 0.584) 1.500 5.088 ( 0.151 -5.049 4.095) 6.502 5.320 ( -4.896 -6.745 -4.323) 9.389 5.405 ( -3.388 4.733 -2.625) 6.385 5.542 ( -2.152 0.564 2.238) 3.155 5.681 ( -4.597 -0.583 0.731) 4.691 5.809 ( -2.799 8.309 4.161) 9.705 5.895 ( 0.931 -1.008 3.569) 3.824 6.044 ( -3.253 3.921 0.659) 5.137 6.237 ( -5.314 0.318 -2.626) 5.936 6.334 ( 1.550 1.855 -8.668) 8.999 6.443 ( -4.475 3.718 -3.653) 6.870 6.872 ( 6.301 2.629 -3.719) 7.774 7.048 ( -4.447 -0.905 -0.645) 4.584 7.267 ( -3.831 3.409 1.197) 5.266 7.435 ( 3.618 -2.001 -0.244) 4.142 7.558 ( -1.038 0.310 1.867) 2.158 7.773 ( -0.405 0.395 -1.375) 1.487 8.332 ( 3.368 -0.533 1.909) 3.908 8.599 ( 3.877 -4.791 -1.862) 6.439 8.979 ( -4.328 -1.154 1.551) 4.740 9.137 ( -0.443 -1.939 -1.266) 2.358 9.393 ( 0.583 -0.255 -0.803) 1.024 9.589 ( 0.957 -4.857 1.078) 5.067 9.722 ( 2.596 -1.898 -2.271) 3.937 9.796 ( -4.229 -2.090 1.947) 5.104 10.203 ( 5.196 -1.977 1.481) 5.753 10.315 ( 5.980 -1.043 1.849) 6.346 10.401 ( -0.006 2.248 -2.047) 3.040 10.750 ( -6.661 -5.606 -2.072) 8.949 10.909 ( -6.577 -1.281 0.272) 6.706 11.046 ( -3.120 -3.027 1.458) 4.585 11.491 ( 1.233 1.409 -0.199) 1.883 11.627 ( -2.029 0.433 0.060) 2.076 12.626 ( 2.891 1.715 -0.924) 3.486 12.724 ( 3.216 0.511 0.409) 3.281 12.945 ( 0.197 0.979 -0.882) 1.332 13.170 ( 1.476 -2.379 -1.135) 3.021 13.769 ( 2.344 -2.903 1.441) 4.000 13.811 ( -1.660 -3.782 -0.697) 4.189 13.941 ( 3.278 3.618 1.192) 5.025 14.058 ( -3.716 2.002 1.810) 4.593 14.219 ( 2.813 -0.838 -5.230) 5.997 14.367 ( 2.335 -2.008 -5.101) 5.959 14.900 ( -5.688 0.382 -3.000) 6.442 15.148 ( -1.233 -1.138 -1.821) 2.476 15.582 ( 0.263 1.297 -0.143) 1.331 15.624 ( 0.737 -0.213 -1.417) 1.611 15.786 ( 3.726 -0.575 3.625) 5.230 16.016 ( -3.376 -5.361 3.363) 7.172 16.289 ( 3.700 0.700 -1.238) 3.964 16.436 ( 6.103 -1.912 -0.940) 6.464 16.950 ( -4.072 0.180 0.749) 4.145 17.004 ( -2.848 -0.662 -0.624) 2.990 19.346 ( 2.814 2.281 1.640) 3.976 19.442 ( -0.899 0.913 -0.903) 1.567 20.907 ( -1.730 -0.392 0.997) 2.035 20.937 ( 0.045 -0.669 -1.159) 1.339 21.706 ( 7.594 3.421 -1.212) 8.417 21.895 ( 0.116 -0.013 0.459) 0.474 22.760 ( 2.043 2.401 0.320) 3.168 22.920 ( -6.844 -0.176 0.004) 6.846 27.126 ( 12.951 1.814 3.721) 13.596 27.522 ( 8.556 -4.647 -12.325) 15.707 28.359 ( -14.771 1.495 2.205) 15.010 28.580 ( -10.183 -1.336 -5.295) 11.555 31.078 ( 3.602 -0.786 2.209) 4.298 31.133 ( 2.080 -1.724 2.301) 3.549 31.444 ( 5.770 0.974 0.959) 5.930 31.521 ( 1.299 -0.810 5.239) 5.458 31.656 ( 6.151 0.477 1.114) 6.270 31.884 ( -2.859 -0.470 1.194) 3.134 31.963 ( -4.249 -2.004 -1.509) 4.934 32.170 ( -5.712 -3.911 3.921) 7.956 33.345 ( 5.890 -1.146 2.081) 6.351 33.390 ( 7.201 -0.532 -1.016) 7.292 33.684 ( -5.262 0.345 1.415) 5.460 33.792 ( -5.969 -0.585 -2.749) 6.597 35.276 ( 1.420 4.491 -1.208) 4.863 35.587 ( -0.863 4.136 5.796) 7.172 35.814 ( 4.798 -0.543 -3.668) 6.064 35.959 ( -2.852 5.734 -4.231) 7.675 36.220 ( 0.578 4.605 3.143) 5.606 36.566 ( 4.883 -1.960 4.190) 6.726 37.793 ( -6.123 -3.041 -0.535) 6.857 38.029 ( -2.857 -5.545 -2.009) 6.553 ======================= Grid point 109 (56/88) ======================= q-point: (-0.43 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -5.078 -8.596 5.165) 11.240 1.634 ( -3.236 -0.818 1.187) 3.543 1.895 ( 1.024 10.237 0.326) 10.293 2.084 ( -5.743 1.017 4.126) 7.144 2.220 ( -8.439 8.970 1.906) 12.462 2.493 ( -4.376 1.552 1.502) 4.881 2.628 ( -1.795 -4.721 8.494) 9.882 2.827 ( -6.373 4.807 1.709) 8.164 2.917 ( 7.668 5.241 4.308) 10.239 3.054 ( -0.123 1.105 1.479) 1.851 3.082 ( 4.800 6.995 2.673) 8.895 3.275 ( 4.452 4.928 -0.939) 6.707 3.475 ( 7.979 0.213 -6.923) 10.566 3.629 ( 7.030 8.160 -1.639) 10.895 3.927 ( -0.360 -3.058 0.483) 3.117 4.040 ( -3.014 -0.683 4.142) 5.168 4.076 ( -1.700 3.018 -7.287) 8.068 4.339 ( -5.994 -0.292 3.561) 6.978 4.475 ( -0.834 1.496 -0.800) 1.890 4.654 ( 1.180 6.576 0.326) 6.689 4.730 ( 6.607 -0.357 3.684) 7.573 4.835 ( -2.061 -1.893 3.658) 4.606 4.942 ( -6.538 -6.000 1.714) 9.037 5.104 ( -7.445 -0.798 -3.288) 8.178 5.192 ( -4.642 0.044 5.066) 6.871 5.309 ( 2.982 -3.402 -1.697) 4.832 5.546 ( -7.357 -2.038 -1.146) 7.720 5.638 ( 7.008 3.274 -0.122) 7.736 5.742 ( -0.279 6.734 -0.091) 6.740 5.925 ( -4.141 4.907 4.214) 7.680 6.022 ( 4.180 0.039 3.444) 5.416 6.234 ( 4.644 0.054 -2.771) 5.408 6.356 ( -1.408 4.940 -1.903) 5.478 6.419 ( 4.156 0.103 -5.078) 6.562 6.915 ( -0.423 1.273 -2.804) 3.108 7.030 ( 0.571 2.728 -2.493) 3.739 7.256 ( 4.229 1.598 -0.462) 4.544 7.518 ( 6.009 -1.024 -1.724) 6.335 7.607 ( 3.836 -0.699 2.897) 4.858 7.728 ( -3.841 -0.586 -1.732) 4.254 8.348 ( -2.659 -1.278 1.388) 3.260 8.617 ( -2.198 -6.185 -2.735) 7.111 8.942 ( 1.256 -0.864 2.323) 2.779 9.104 ( -2.585 1.351 -0.297) 2.932 9.422 ( 2.184 -4.348 -1.418) 5.068 9.573 ( -2.664 -2.332 0.313) 3.555 9.682 ( -2.076 -0.208 1.456) 2.545 9.851 ( 6.053 -2.754 -0.888) 6.709 10.267 ( -2.644 -1.089 0.715) 2.948 10.353 ( 4.867 -0.328 -3.179) 5.823 10.497 ( -5.447 -2.588 -0.595) 6.060 10.592 ( 2.132 -4.205 0.989) 4.817 10.845 ( 1.432 0.667 2.548) 2.998 11.084 ( 5.350 -3.611 0.127) 6.456 11.505 ( 0.208 0.938 -0.606) 1.136 11.600 ( -0.559 0.663 0.789) 1.172 12.637 ( -1.677 1.834 -1.220) 2.768 12.735 ( -2.369 0.574 0.105) 2.440 12.936 ( -0.845 0.739 -0.719) 1.333 13.164 ( -2.055 -2.396 -0.852) 3.269 13.764 ( -3.922 -1.850 0.979) 4.445 13.821 ( 2.183 -3.114 -0.437) 3.828 13.890 ( -1.545 1.781 1.310) 2.697 14.128 ( 3.063 0.071 1.928) 3.620 14.250 ( 1.529 -1.937 -4.575) 5.198 14.378 ( -0.148 1.748 -7.949) 8.140 14.843 ( 0.787 1.122 -0.412) 1.431 15.169 ( 2.916 -1.705 -3.225) 4.670 15.588 ( 0.064 0.745 -0.553) 0.930 15.620 ( -0.377 0.291 -1.025) 1.130 15.827 ( -2.718 -0.669 1.105) 3.009 15.995 ( 4.882 -6.172 5.108) 9.382 16.283 ( -5.584 0.470 -1.132) 5.717 16.445 ( -5.473 -2.143 -0.884) 5.944 16.921 ( 1.849 0.693 1.050) 2.236 17.000 ( 2.364 -1.220 -0.123) 2.663 19.374 ( -0.800 1.565 2.014) 2.673 19.410 ( -1.637 1.181 -1.072) 2.286 20.883 ( -0.348 0.262 0.840) 0.946 20.964 ( 2.389 -0.853 -0.986) 2.722 21.723 ( -6.466 3.376 -1.800) 7.513 21.898 ( 0.884 0.300 0.444) 1.034 22.802 ( -1.836 1.778 -1.226) 2.834 22.878 ( 6.458 0.382 1.384) 6.615 27.157 ( -10.497 1.208 4.966) 11.675 27.415 ( -16.841 -2.860 -10.704) 20.158 28.349 ( 14.357 2.318 1.944) 14.672 28.652 ( 15.638 -2.454 -7.422) 17.483 31.071 ( -4.907 -0.954 2.470) 5.575 31.136 ( -1.503 -1.520 2.234) 3.092 31.463 ( -4.374 -1.053 1.283) 4.679 31.535 ( -0.019 -0.488 3.250) 3.287 31.700 ( -2.036 0.644 0.275) 2.153 31.813 ( -4.086 -1.459 1.808) 4.701 31.970 ( 5.611 0.370 0.086) 5.624 32.161 ( 4.435 -3.733 4.335) 7.238 33.323 ( -7.206 -0.102 1.144) 7.297 33.424 ( -5.822 -1.433 -0.516) 6.018 33.672 ( 5.043 0.494 1.768) 5.367 33.788 ( 5.746 -0.604 -2.691) 6.374 35.300 ( 1.122 4.259 -2.150) 4.901 35.537 ( -4.228 4.312 5.777) 8.357 35.883 ( -3.137 5.869 -3.033) 7.313 35.921 ( 5.083 0.034 -4.405) 6.726 36.255 ( 2.149 2.206 2.829) 4.182 36.630 ( 0.420 -2.665 1.762) 3.223 37.687 ( -2.245 -1.648 1.679) 3.252 38.076 ( 6.220 -5.644 -2.501) 8.763 ======================= Grid point 110 (57/88) ======================= q-point: (-0.29 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -8.111 -1.480 5.542) 9.935 1.603 ( -1.190 -4.921 5.007) 7.120 1.854 ( -4.615 6.175 -3.734) 8.565 1.974 ( -8.792 9.117 8.496) 15.251 2.152 ( 4.571 10.143 0.609) 11.142 2.445 ( -1.165 5.538 2.652) 6.250 2.534 ( -6.742 -6.156 12.037) 15.107 2.692 ( -4.088 2.793 5.344) 7.285 2.969 ( -5.117 2.171 4.536) 7.175 3.058 ( -0.855 3.394 3.094) 4.672 3.204 ( 0.978 3.453 3.119) 4.755 3.370 ( 8.612 2.243 -3.470) 9.552 3.543 ( 1.624 -1.478 0.750) 2.320 3.717 ( -5.302 -0.563 2.385) 5.841 3.852 ( -7.257 3.319 1.640) 8.147 4.022 ( 5.384 8.575 1.597) 10.250 4.129 ( 0.567 -0.482 0.867) 1.142 4.227 ( 0.883 3.727 -6.184) 7.274 4.415 ( -2.900 -2.418 -4.982) 6.251 4.624 ( -3.639 4.124 -4.136) 6.881 4.700 ( -1.549 1.606 -0.886) 2.401 4.812 ( -1.852 -1.940 -4.379) 5.135 4.922 ( -2.916 0.968 0.359) 3.093 4.976 ( -7.991 -2.844 -5.623) 10.177 5.070 ( 1.960 -2.820 0.584) 3.484 5.351 ( -0.507 1.957 1.903) 2.776 5.499 ( 1.423 -0.732 3.150) 3.533 5.768 ( 3.323 1.830 -0.883) 3.895 5.807 ( 7.462 2.104 1.110) 7.832 5.939 ( 5.336 2.936 6.688) 9.046 6.073 ( 1.912 1.974 2.182) 3.509 6.282 ( -2.230 5.951 0.750) 6.399 6.372 ( 4.404 -0.318 3.520) 5.647 6.555 ( 9.321 -1.901 -2.417) 9.815 6.921 ( 0.352 3.259 -5.874) 6.727 7.031 ( 1.094 1.919 1.001) 2.425 7.375 ( 5.541 -1.211 -2.652) 6.261 7.551 ( -6.891 -1.616 -3.102) 7.728 7.705 ( 6.738 0.978 1.223) 6.918 7.737 ( 8.691 1.655 -0.163) 8.849 8.240 ( -7.785 -0.881 0.778) 7.874 8.515 ( -7.179 -6.242 -2.475) 9.830 8.987 ( 0.665 -2.036 2.084) 2.988 9.090 ( 3.360 2.311 1.914) 4.505 9.459 ( 1.400 -5.482 -1.129) 5.769 9.552 ( 1.504 -0.716 -1.333) 2.133 9.664 ( -0.614 -2.361 0.732) 2.547 9.948 ( 2.923 -2.941 -1.948) 4.582 10.150 ( -8.895 -1.289 1.751) 9.156 10.307 ( -7.177 -1.649 -2.186) 7.682 10.472 ( 5.639 -1.153 -3.639) 6.810 10.634 ( -0.627 -3.291 2.870) 4.411 11.033 ( 14.643 0.570 2.382) 14.847 11.216 ( 7.353 -2.749 -0.090) 7.851 11.515 ( 1.588 0.102 -0.538) 1.680 11.615 ( 2.163 -0.126 1.770) 2.797 12.554 ( -6.774 0.813 -1.238) 6.934 12.612 ( -9.940 0.373 0.655) 9.969 12.937 ( 1.229 -0.025 -1.321) 1.805 13.107 ( -3.162 -2.678 -1.253) 4.329 13.644 ( -7.038 1.418 1.559) 7.347 13.854 ( 1.858 -2.409 -0.477) 3.080 13.942 ( 1.851 -2.559 -2.449) 3.996 14.024 ( -7.557 -4.391 -1.505) 8.868 14.314 ( 2.082 3.861 -4.338) 6.169 14.406 ( 2.951 1.712 -4.039) 5.287 14.926 ( 6.695 2.202 1.048) 7.125 15.220 ( 2.297 -1.742 -3.517) 4.547 15.556 ( -3.138 0.116 -0.448) 3.172 15.647 ( 2.288 0.131 0.184) 2.299 15.781 ( 0.322 0.200 1.631) 1.674 16.053 ( -8.835 -1.158 -0.680) 8.936 16.157 ( 0.609 -4.084 3.281) 5.274 16.259 ( -10.743 -4.165 -1.008) 11.566 16.995 ( 4.415 0.671 1.273) 4.644 17.066 ( 3.620 -0.908 0.354) 3.749 19.312 ( -4.465 1.384 1.692) 4.971 19.386 ( -1.465 0.882 -0.565) 1.801 20.904 ( 2.541 0.868 0.551) 2.741 21.019 ( 3.132 -0.926 -0.750) 3.350 21.545 ( -9.889 4.643 -1.926) 11.094 21.857 ( -5.608 -1.030 0.008) 5.701 22.813 ( 3.544 3.519 -1.799) 5.308 23.032 ( 7.700 -0.505 1.180) 7.807 26.851 ( -17.627 0.326 4.018) 18.082 26.990 ( -23.409 -1.933 -9.647) 25.392 28.779 ( 25.669 2.510 2.210) 25.886 29.058 ( 23.965 -2.562 -6.194) 24.884 30.914 ( -10.488 -0.653 3.615) 11.113 31.067 ( -5.539 -2.270 2.626) 6.537 31.345 ( -6.710 -2.560 0.414) 7.194 31.479 ( -5.348 -1.871 1.967) 5.997 31.610 ( -4.931 2.370 0.674) 5.513 31.754 ( -3.570 -1.467 0.091) 3.860 32.148 ( 11.652 0.274 0.696) 11.676 32.294 ( 7.769 -2.806 2.537) 8.641 33.132 ( -11.306 0.029 1.908) 11.466 33.252 ( -9.924 -1.782 0.534) 10.097 33.801 ( 6.518 0.850 1.662) 6.780 33.931 ( 7.520 -0.591 -3.353) 8.255 35.318 ( 0.715 4.298 -2.397) 4.973 35.441 ( -5.197 5.385 4.163) 8.564 35.831 ( -1.528 3.455 -2.910) 4.769 36.016 ( 4.132 0.372 -1.654) 4.466 36.288 ( 0.585 0.988 0.881) 1.448 36.565 ( -6.390 -3.474 -1.664) 7.461 37.760 ( 9.169 -0.009 7.794) 12.034 38.228 ( 8.614 -5.410 -4.915) 11.298 ======================= Grid point 111 (58/88) ======================= q-point: (-0.14 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.215 3.111 11.336) 12.860 1.516 ( -5.948 1.072 12.870) 14.218 1.781 ( 1.350 7.919 3.318) 8.691 1.883 ( -6.121 9.806 4.065) 12.254 2.194 ( -1.497 7.519 1.238) 7.766 2.423 ( -2.064 1.938 2.168) 3.566 2.469 ( 4.581 -0.281 5.716) 7.330 2.680 ( 0.096 0.286 9.226) 9.231 2.888 ( -4.766 4.148 11.335) 12.978 2.944 ( -8.344 4.203 1.986) 9.551 3.059 ( -8.934 1.293 0.122) 9.028 3.399 ( -9.179 -1.739 4.661) 10.440 3.489 ( -8.436 1.178 1.955) 8.739 3.679 ( -2.299 -0.147 2.649) 3.510 3.810 ( 9.807 0.282 4.053) 10.615 4.006 ( -1.853 7.252 -2.242) 7.814 4.182 ( 1.826 -0.722 -5.315) 5.666 4.301 ( 4.345 -0.249 -6.496) 7.819 4.450 ( 4.560 -0.830 -6.275) 7.801 4.567 ( -1.785 2.579 -5.721) 6.524 4.653 ( -5.897 -1.174 -7.821) 9.865 4.750 ( 0.345 -0.369 -5.253) 5.278 4.891 ( 2.170 3.945 -8.006) 9.185 4.938 ( 2.424 4.131 1.136) 4.923 5.167 ( 4.663 -1.241 1.640) 5.096 5.310 ( -2.264 3.446 1.656) 4.443 5.538 ( 2.852 -1.519 2.332) 3.985 5.792 ( 0.078 0.023 -1.058) 1.061 5.938 ( 2.461 4.557 2.860) 5.916 6.066 ( 5.563 -1.518 8.496) 10.268 6.131 ( 2.213 2.311 0.574) 3.250 6.246 ( 2.219 4.822 3.080) 6.137 6.433 ( 0.638 1.086 4.554) 4.725 6.735 ( 6.576 -1.040 -1.912) 6.926 6.908 ( -0.075 0.711 -2.362) 2.468 7.081 ( 2.124 1.313 -1.657) 2.997 7.360 ( -4.437 0.344 -1.543) 4.710 7.490 ( 1.072 -1.242 -3.229) 3.622 7.813 ( 4.456 0.711 -3.416) 5.660 7.967 ( 11.598 2.190 1.234) 11.868 8.064 ( -8.719 0.075 1.017) 8.779 8.370 ( -6.960 -3.976 -2.149) 8.299 8.995 ( 1.085 -2.373 0.731) 2.710 9.198 ( 5.758 -0.724 3.621) 6.841 9.487 ( 1.379 -4.815 -0.855) 5.081 9.595 ( 1.522 -2.922 -3.268) 4.640 9.645 ( -1.708 -3.344 -0.307) 3.767 9.915 ( -6.390 -3.576 0.393) 7.333 10.002 ( -3.004 1.613 -1.317) 3.655 10.234 ( -1.105 -0.809 -0.233) 1.389 10.558 ( 2.383 -2.882 -2.451) 4.471 10.614 ( -0.454 -1.567 2.381) 2.887 11.308 ( 10.321 -1.972 0.604) 10.525 11.366 ( 9.116 -1.799 1.072) 9.353 11.572 ( 3.267 -0.800 -0.690) 3.433 11.691 ( 5.130 -1.439 3.180) 6.205 12.350 ( -12.930 0.261 0.114) 12.933 12.413 ( -9.119 -0.625 -0.496) 9.154 12.968 ( 1.265 -0.197 -1.879) 2.274 13.054 ( -1.338 -2.169 -0.467) 2.591 13.522 ( -4.691 1.070 -0.155) 4.814 13.717 ( -12.624 -4.124 -3.519) 13.739 13.950 ( 3.321 -1.668 1.293) 3.934 14.061 ( 4.208 -1.978 -0.596) 4.688 14.295 ( -3.186 5.346 -3.531) 7.155 14.444 ( 0.712 0.832 -4.038) 4.184 15.076 ( 8.245 2.182 1.667) 8.691 15.286 ( 5.031 -1.641 -1.885) 5.617 15.471 ( -5.406 1.539 0.806) 5.678 15.625 ( -6.459 0.433 0.169) 6.475 15.798 ( -2.980 0.397 -0.780) 3.106 15.928 ( 4.371 -0.783 0.849) 4.521 15.980 ( -11.380 -1.303 -2.009) 11.629 16.247 ( 1.232 -8.892 4.585) 10.080 17.065 ( 2.343 0.769 1.232) 2.756 17.127 ( 2.330 -0.180 0.382) 2.367 19.225 ( -3.934 1.953 2.115) 4.875 19.356 ( -1.056 0.659 -1.024) 1.612 20.967 ( 3.010 1.032 -0.026) 3.182 21.079 ( 2.633 -0.785 -0.655) 2.824 21.373 ( -6.782 5.394 -1.660) 8.823 21.710 ( -7.761 -1.503 -0.357) 7.913 22.915 ( 5.683 4.027 -1.186) 7.065 23.154 ( 4.199 -0.687 0.523) 4.287 26.538 ( -13.672 -0.290 0.798) 13.699 26.569 ( -15.904 -0.479 -2.595) 16.122 29.272 ( 22.488 1.677 2.176) 22.655 29.515 ( 19.929 -2.249 -5.281) 20.740 30.699 ( -9.877 -1.408 4.319) 10.871 30.934 ( -7.610 -4.862 2.465) 9.361 31.228 ( -4.812 -3.053 -0.132) 5.700 31.361 ( -5.697 -3.191 0.676) 6.565 31.554 ( -0.337 3.384 -0.086) 3.402 31.635 ( -8.111 1.140 -1.228) 8.283 32.404 ( 13.710 -0.696 0.934) 13.759 32.453 ( 8.133 -1.434 1.187) 8.343 32.899 ( -12.105 0.037 3.209) 12.524 33.060 ( -9.428 -2.934 0.916) 9.916 33.908 ( 3.943 1.260 1.332) 4.348 34.052 ( 4.593 -0.454 -3.533) 5.813 35.309 ( -2.330 5.406 0.787) 5.939 35.375 ( -0.521 4.737 -0.304) 4.776 35.820 ( 0.487 2.401 -1.150) 2.706 36.054 ( -1.565 -1.502 -2.140) 3.047 36.256 ( -3.169 0.758 -0.244) 3.267 36.452 ( -3.221 -1.128 0.240) 3.421 37.992 ( 11.547 -1.108 6.541) 13.317 38.379 ( 6.362 -5.181 -5.781) 10.037 ======================= Grid point 112 (59/88) ======================= q-point: ( 0.00 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -2.410 4.017 7.561) 8.894 1.590 ( 4.961 -2.931 3.030) 6.510 1.960 ( -3.497 10.962 19.446) 22.595 2.104 ( -0.588 4.166 10.108) 10.948 2.263 ( 3.451 9.402 7.549) 12.542 2.489 ( 0.953 0.005 8.254) 8.308 2.553 ( 0.675 3.393 2.606) 4.331 2.685 ( 3.283 -0.501 3.529) 4.845 2.745 ( -5.215 -0.572 0.330) 5.257 2.920 ( -2.376 -1.877 -2.095) 3.682 3.117 ( 0.135 -4.081 -0.305) 4.094 3.221 ( -1.456 10.291 -2.669) 10.730 3.382 ( -3.306 5.487 -0.032) 6.406 3.748 ( -1.146 4.998 3.391) 6.147 3.831 ( -1.364 -5.171 -0.060) 5.348 4.100 ( 2.707 -3.182 -4.896) 6.436 4.186 ( -1.193 4.039 0.115) 4.213 4.295 ( 0.864 0.577 2.231) 2.461 4.488 ( -1.704 1.926 -2.087) 3.312 4.604 ( 0.460 2.083 -3.630) 4.211 4.659 ( 1.286 6.717 -3.401) 7.638 4.832 ( -0.152 5.561 -2.544) 6.117 4.914 ( -4.336 -0.591 -1.616) 4.665 5.185 ( 1.066 2.365 -2.303) 3.468 5.246 ( 8.237 3.329 -0.537) 8.901 5.425 ( 3.007 1.893 -3.206) 4.786 5.575 ( 7.198 -2.266 1.198) 7.641 5.779 ( 0.244 -5.785 1.419) 5.962 5.891 ( -6.087 4.155 2.996) 7.956 6.124 ( -0.198 4.373 -1.001) 4.490 6.236 ( -0.595 3.583 3.553) 5.081 6.394 ( 1.154 2.594 1.897) 3.415 6.488 ( 2.161 0.993 1.499) 2.811 6.610 ( -6.395 -10.151 -5.959) 13.396 6.957 ( 2.859 0.315 3.332) 4.402 7.035 ( -2.385 -2.611 -1.994) 4.060 7.386 ( -0.577 3.693 -2.231) 4.352 7.486 ( -0.157 -0.932 -3.190) 3.327 7.835 ( -2.904 2.329 -1.441) 3.992 7.966 ( 0.566 -2.233 0.605) 2.382 8.162 ( 1.577 2.268 1.584) 3.185 8.281 ( 1.342 0.058 -1.873) 2.305 8.949 ( 0.365 -1.167 0.451) 1.303 9.196 ( 1.832 -8.672 -0.003) 8.863 9.402 ( 0.377 -0.405 -0.552) 0.782 9.483 ( -2.128 -3.946 -1.159) 4.631 9.628 ( -0.639 1.431 -1.278) 2.023 9.754 ( -2.202 -4.307 0.878) 4.916 9.997 ( 0.223 1.038 0.658) 1.249 10.174 ( -0.243 -5.663 0.479) 5.688 10.510 ( -0.708 0.696 0.297) 1.036 10.598 ( 1.299 -2.775 -0.269) 3.076 11.362 ( 0.512 -1.840 0.821) 2.079 11.414 ( 0.508 -3.936 -0.882) 4.065 11.612 ( 0.019 0.663 0.394) 0.771 11.703 ( 0.560 -3.469 1.561) 3.845 12.213 ( -0.914 1.812 1.301) 2.411 12.269 ( -0.467 -0.946 0.955) 1.423 12.982 ( 0.032 -0.019 -1.838) 1.838 13.020 ( 0.647 -1.800 -1.993) 2.763 13.499 ( 1.365 1.218 -1.678) 2.483 13.541 ( 0.690 -0.580 -1.005) 1.350 13.970 ( -1.098 0.437 0.730) 1.390 14.059 ( 0.244 -3.445 -2.021) 4.001 14.329 ( -1.830 3.652 -3.142) 5.153 14.417 ( -2.794 -0.932 -4.127) 5.071 15.288 ( 5.393 2.945 3.041) 6.856 15.357 ( -1.082 1.247 -0.399) 1.699 15.418 ( -0.864 1.017 -0.863) 1.590 15.484 ( -1.888 -0.688 -0.312) 2.033 15.768 ( -1.497 0.204 -0.347) 1.550 15.845 ( -1.693 -2.230 0.851) 2.926 15.964 ( 1.435 0.591 2.477) 2.923 16.131 ( 3.239 -5.915 3.100) 7.422 17.119 ( 0.713 1.286 0.719) 1.637 17.154 ( 0.485 -0.246 0.283) 0.614 19.248 ( 0.085 3.698 2.140) 4.273 19.359 ( 1.422 -1.032 -0.183) 1.767 21.021 ( -0.752 1.570 -0.277) 1.763 21.081 ( -1.046 -1.188 -0.967) 1.855 21.403 ( -1.093 5.475 -0.817) 5.643 21.577 ( -0.019 -3.058 -0.097) 3.060 23.061 ( -0.464 4.243 -1.375) 4.485 23.179 ( 0.371 -1.529 0.173) 1.583 26.399 ( 0.335 -0.125 0.090) 0.368 26.408 ( 1.240 -0.620 0.036) 1.387 29.552 ( -0.946 1.681 1.149) 2.245 29.674 ( -2.104 -2.077 -5.362) 6.123 30.573 ( 3.361 -2.332 2.894) 5.011 30.660 ( -1.210 -6.327 4.536) 7.879 31.162 ( -0.524 1.542 0.398) 1.677 31.246 ( -0.176 -2.212 0.278) 2.237 31.555 ( -2.667 2.923 1.403) 4.199 31.636 ( 2.807 -0.170 -2.346) 3.662 32.556 ( -3.101 0.387 0.660) 3.194 32.583 ( 2.580 -0.978 -0.556) 2.814 32.752 ( 3.393 -0.309 4.043) 5.287 32.824 ( -3.314 -3.590 2.727) 5.595 33.988 ( 0.146 2.281 0.149) 2.290 34.079 ( 0.198 -1.639 -3.011) 3.434 35.402 ( -2.302 8.107 2.152) 8.698 35.517 ( 2.869 5.919 -2.023) 6.881 35.819 ( -4.053 -3.590 1.949) 5.755 35.897 ( -0.774 -3.157 -0.058) 3.251 36.291 ( 1.569 3.533 4.856) 6.207 36.436 ( 0.660 -0.517 0.741) 1.119 38.103 ( 0.073 1.113 -0.816) 1.382 38.312 ( 0.111 -7.482 -6.400) 9.846 ======================= Grid point 113 (60/88) ======================= q-point: ( 0.14 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.897 3.477 4.436) 6.337 1.641 ( 0.047 -3.399 1.905) 3.897 1.851 ( -3.336 10.749 10.698) 15.528 2.099 ( -1.756 1.556 13.447) 13.650 2.343 ( 1.491 3.595 0.110) 3.894 2.473 ( -0.481 1.579 6.543) 6.748 2.576 ( 3.276 4.522 4.012) 6.875 2.710 ( 2.578 2.870 6.279) 7.369 2.826 ( 7.146 -0.493 3.597) 8.015 3.009 ( 9.108 -0.089 -0.642) 9.131 3.080 ( -3.813 7.022 5.649) 9.785 3.247 ( 6.813 2.158 0.170) 7.149 3.514 ( 9.492 4.973 -2.484) 11.000 3.695 ( -1.860 -0.486 1.700) 2.566 3.815 ( -0.805 -4.633 2.068) 5.137 4.083 ( -3.457 0.570 -1.668) 3.881 4.177 ( -0.816 10.170 0.684) 10.225 4.273 ( -0.753 1.589 -0.586) 1.854 4.453 ( -3.449 0.978 -1.782) 4.003 4.600 ( 0.679 4.950 -3.978) 6.387 4.674 ( -0.703 0.233 -6.305) 6.348 4.768 ( -6.567 -2.280 -3.541) 7.801 4.869 ( 3.297 5.040 0.914) 6.091 5.169 ( -2.681 0.021 0.578) 2.742 5.410 ( 1.494 -4.633 -6.093) 7.799 5.459 ( 6.141 7.495 -2.690) 10.056 5.643 ( -2.819 -3.146 3.152) 5.270 5.719 ( -7.027 -3.895 4.472) 9.195 5.846 ( 4.389 7.049 -7.072) 10.907 6.096 ( -4.204 5.587 5.216) 8.723 6.203 ( -1.088 -1.592 1.191) 2.266 6.381 ( -2.671 -0.028 -0.430) 2.706 6.467 ( -2.804 1.478 1.521) 3.516 6.555 ( 0.475 -7.236 -0.525) 7.271 6.923 ( -4.002 2.820 -0.887) 4.975 7.069 ( 2.982 -2.195 1.119) 3.868 7.355 ( -2.041 1.813 -2.906) 3.987 7.424 ( -4.507 0.458 -1.486) 4.768 7.810 ( 0.640 5.560 1.171) 5.718 7.970 ( -5.514 -0.074 0.255) 5.520 8.181 ( 4.306 -0.398 -1.359) 4.533 8.280 ( -0.367 -2.717 -0.946) 2.900 8.972 ( 1.595 -0.941 0.048) 1.852 9.203 ( -1.739 -6.250 -1.804) 6.733 9.391 ( -0.512 0.121 0.109) 0.537 9.449 ( -1.159 -3.692 0.503) 3.902 9.621 ( 0.114 0.399 -0.889) 0.981 9.741 ( 0.767 -4.300 3.062) 5.334 10.031 ( 2.624 -0.533 -0.156) 2.682 10.168 ( -0.394 -5.615 0.620) 5.662 10.503 ( 0.158 2.523 -0.589) 2.596 10.628 ( 1.643 -4.040 -0.975) 4.469 11.289 ( -8.064 -1.509 -0.571) 8.224 11.321 ( -8.802 -3.144 -0.225) 9.349 11.555 ( -3.655 1.987 0.862) 4.248 11.689 ( -1.520 -3.831 0.592) 4.164 12.336 ( 10.764 1.261 1.325) 10.918 12.381 ( 10.152 -0.667 0.809) 10.206 12.969 ( -0.781 0.229 -1.726) 1.908 13.027 ( 0.828 -2.516 -2.029) 3.336 13.604 ( 7.408 0.954 -1.521) 7.622 13.634 ( 7.426 -0.139 -2.021) 7.698 13.912 ( -3.155 0.340 0.613) 3.232 14.025 ( -2.642 -4.303 -2.172) 5.497 14.315 ( -0.963 1.809 -1.223) 2.387 14.364 ( -2.319 -0.592 -1.805) 2.997 15.219 ( -7.351 2.503 -2.762) 8.242 15.251 ( -5.578 -0.105 -0.736) 5.627 15.510 ( 6.939 2.976 1.281) 7.658 15.618 ( 5.880 -0.732 0.500) 5.947 15.762 ( 2.243 -1.060 2.073) 3.233 15.795 ( -2.581 -3.371 2.699) 5.030 16.020 ( 5.541 2.646 -0.575) 6.167 16.195 ( 2.587 -5.461 0.360) 6.053 17.106 ( -2.139 0.994 0.364) 2.386 17.140 ( -1.936 -0.373 -0.131) 1.976 19.280 ( 2.774 4.000 1.648) 5.139 19.403 ( 2.603 -1.098 -0.624) 2.893 20.979 ( -2.666 0.682 0.299) 2.768 21.020 ( -4.129 -0.920 -0.206) 4.236 21.461 ( 6.405 5.779 -0.487) 8.640 21.652 ( 6.533 -3.344 0.023) 7.339 22.993 ( -5.520 4.975 -0.734) 7.467 23.142 ( -4.066 -2.186 0.048) 4.616 26.518 ( 12.065 1.309 0.187) 12.137 26.628 ( 18.653 -4.225 -3.246) 19.399 29.286 ( -21.946 2.087 1.706) 22.111 29.406 ( -21.701 -2.671 -2.850) 22.050 30.740 ( 10.867 -1.882 2.356) 11.278 30.798 ( 11.046 -4.061 3.090) 12.167 31.201 ( 4.528 1.982 0.659) 4.986 31.300 ( 5.501 -2.459 0.583) 6.054 31.527 ( -0.077 4.735 2.155) 5.203 31.718 ( 4.804 -4.017 -2.781) 6.852 32.359 ( -11.929 1.732 1.677) 12.170 32.461 ( -10.436 -3.174 0.793) 10.937 32.934 ( 10.250 -0.993 2.528) 10.603 32.956 ( 11.894 -2.197 1.840) 12.235 33.947 ( -4.124 2.135 0.058) 4.644 34.035 ( -4.351 -1.612 -2.982) 5.516 35.375 ( -0.587 7.861 1.484) 8.022 35.593 ( 4.811 4.899 -2.232) 7.220 35.730 ( -3.630 -2.173 3.736) 5.644 35.937 ( 3.200 -2.468 1.615) 4.352 36.339 ( 3.049 3.331 3.160) 5.511 36.444 ( -0.006 1.258 -0.423) 1.327 38.014 ( -7.801 1.288 0.777) 7.944 38.236 ( -7.263 -7.834 -6.354) 12.429 ======================= Grid point 114 (61/88) ======================= q-point: ( 0.29 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.918 -2.139 2.684) 3.931 1.610 ( -2.638 -4.731 3.528) 6.464 1.906 ( 7.246 8.028 -2.224) 11.041 2.078 ( 2.034 4.069 8.612) 9.740 2.393 ( 0.258 -0.576 -0.174) 0.655 2.458 ( 1.688 -1.683 6.505) 6.928 2.663 ( 5.123 2.794 2.492) 6.345 2.831 ( 5.571 5.895 2.828) 8.590 2.910 ( 1.735 8.267 8.123) 11.719 3.062 ( 1.508 -4.196 5.597) 7.156 3.134 ( 2.241 8.325 1.156) 8.699 3.335 ( 0.699 10.616 -4.924) 11.724 3.601 ( -4.444 3.823 5.090) 7.763 3.730 ( 9.793 -1.673 3.508) 10.536 3.880 ( 5.442 -2.571 0.918) 6.088 4.016 ( -3.371 2.113 0.023) 3.979 4.189 ( 4.314 9.997 3.978) 11.592 4.274 ( -2.723 3.197 -4.877) 6.436 4.375 ( -0.230 -0.605 -0.780) 1.013 4.588 ( -1.736 -0.178 -0.779) 1.911 4.600 ( -3.558 1.626 -4.656) 6.081 4.748 ( 3.015 -4.849 -1.744) 5.970 4.960 ( 3.919 -0.603 -0.046) 3.966 5.077 ( -5.101 1.165 0.913) 5.311 5.340 ( -6.668 -4.050 -4.603) 9.058 5.521 ( -5.359 -5.351 3.704) 8.431 5.598 ( 0.899 2.973 -0.297) 3.120 5.633 ( 1.934 1.858 0.777) 2.792 5.897 ( -0.812 4.907 -6.514) 8.195 6.018 ( -2.761 1.994 4.351) 5.525 6.201 ( -1.135 3.047 1.279) 3.494 6.299 ( -2.196 -1.724 -2.920) 4.040 6.436 ( -2.489 3.594 -0.160) 4.375 6.541 ( -2.038 -2.024 -2.305) 3.683 6.879 ( 0.411 5.404 -0.915) 5.496 7.085 ( -1.848 -3.439 2.344) 4.554 7.325 ( 0.277 0.547 -0.194) 0.643 7.367 ( -1.312 -0.128 -3.083) 3.353 7.758 ( -10.096 4.141 0.577) 10.928 7.825 ( -3.471 2.346 -0.625) 4.236 8.252 ( 3.153 -0.657 -0.422) 3.249 8.368 ( 7.675 -6.209 -0.738) 9.899 8.993 ( 0.106 -0.805 0.031) 0.813 9.135 ( -4.161 -2.126 -1.800) 5.007 9.389 ( -0.146 -2.289 -1.575) 2.782 9.448 ( 1.174 -4.208 2.518) 5.043 9.636 ( 1.591 0.097 -0.050) 1.595 9.769 ( 0.769 -4.490 3.508) 5.749 10.085 ( 3.183 -0.775 1.237) 3.501 10.180 ( 2.436 -3.512 0.268) 4.282 10.502 ( -0.938 3.230 -2.655) 4.285 10.654 ( 0.913 -5.035 -1.765) 5.413 11.076 ( -11.566 -1.049 -0.049) 11.613 11.128 ( -10.167 -3.241 0.980) 10.716 11.521 ( -0.051 3.032 0.263) 3.044 11.652 ( -1.824 -2.377 -0.315) 3.012 12.544 ( 9.126 1.577 0.438) 9.271 12.595 ( 9.808 -0.677 0.649) 9.853 12.963 ( 0.359 1.301 -1.393) 1.939 13.059 ( 2.360 -3.463 -1.706) 4.524 13.702 ( 1.707 -0.108 0.938) 1.950 13.749 ( 2.219 -2.103 -1.726) 3.511 13.910 ( 3.524 1.594 -0.538) 3.905 14.035 ( 5.985 -3.295 -4.387) 8.119 14.246 ( -5.592 1.576 1.513) 6.004 14.322 ( -2.302 -1.603 -1.288) 3.087 15.070 ( -7.330 2.717 -3.181) 8.440 15.168 ( -3.412 -1.527 -2.131) 4.302 15.582 ( 0.892 1.534 -0.412) 1.822 15.636 ( -0.825 0.646 0.592) 1.203 15.756 ( 0.042 0.039 3.514) 3.514 15.890 ( 4.781 -5.010 3.362) 7.698 16.179 ( 8.851 0.051 -1.398) 8.961 16.251 ( 4.953 -2.434 -1.795) 5.803 17.041 ( -4.221 0.657 0.323) 4.284 17.076 ( -4.407 -0.687 -0.554) 4.495 19.345 ( 3.320 3.676 1.410) 5.150 19.445 ( 1.521 -0.548 -0.394) 1.664 20.932 ( -2.062 -0.190 0.292) 2.091 20.950 ( -2.647 -0.755 0.039) 2.752 21.622 ( 9.196 5.413 -0.461) 10.681 21.794 ( 6.938 -2.714 0.417) 7.462 22.879 ( -5.187 4.924 -0.410) 7.164 23.033 ( -6.548 -2.272 0.163) 6.933 26.837 ( 18.889 3.186 0.864) 19.175 27.050 ( 22.318 -7.075 -6.601) 24.325 28.812 ( -24.441 2.605 1.464) 24.623 28.930 ( -24.424 -2.348 -2.029) 24.620 30.941 ( 8.473 -0.792 2.305) 8.817 30.989 ( 7.587 -2.689 2.860) 8.542 31.327 ( 7.625 1.953 0.573) 7.892 31.439 ( 7.040 -2.838 1.399) 7.718 31.556 ( 3.265 4.709 2.923) 6.433 31.795 ( 2.633 -6.143 -1.705) 6.898 32.136 ( -10.404 2.251 1.483) 10.748 32.255 ( -10.015 -3.600 2.221) 10.871 33.146 ( 10.620 -0.480 1.728) 10.771 33.182 ( 10.715 -2.033 0.701) 10.929 33.835 ( -6.908 1.744 0.118) 7.126 33.915 ( -7.334 -1.624 -2.737) 7.995 35.377 ( 0.675 7.487 0.388) 7.527 35.657 ( -0.544 -2.539 2.532) 3.627 35.725 ( 4.869 5.743 -0.355) 7.537 36.002 ( 2.923 -1.895 2.556) 4.321 36.392 ( 0.202 5.920 -1.757) 6.178 36.449 ( 2.337 0.642 1.577) 2.892 37.855 ( -7.303 -0.209 1.752) 7.513 38.047 ( -10.477 -7.807 -5.284) 14.094 ======================= Grid point 115 (62/88) ======================= q-point: ( 0.43 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -3.814 -4.353 4.415) 7.279 1.579 ( -0.881 -6.887 3.371) 7.718 2.019 ( 4.017 5.804 -0.466) 7.074 2.157 ( -0.783 -3.860 -2.305) 4.564 2.415 ( 6.270 5.969 0.460) 8.669 2.524 ( 0.577 0.232 6.958) 6.986 2.650 ( -4.852 4.480 -2.147) 6.944 2.856 ( -3.759 1.571 10.986) 11.717 3.001 ( 8.401 1.840 0.021) 8.600 3.097 ( 0.938 2.247 4.169) 4.828 3.172 ( 2.125 6.995 1.177) 7.405 3.368 ( 3.666 12.549 -7.196) 14.923 3.562 ( 1.847 14.283 5.641) 15.467 3.727 ( -5.681 0.752 -4.919) 7.552 3.905 ( -2.225 0.233 -1.965) 2.977 4.068 ( -0.582 -0.169 4.859) 4.896 4.198 ( 0.555 0.813 -0.419) 1.070 4.317 ( 6.927 5.662 2.511) 9.292 4.447 ( 4.949 -2.147 1.476) 5.593 4.523 ( -1.525 -0.332 2.964) 3.350 4.669 ( 5.420 -5.494 5.724) 9.609 4.778 ( 0.749 -2.586 1.315) 2.996 4.951 ( -3.094 -2.461 -0.115) 3.955 5.072 ( 3.557 -0.255 0.409) 3.589 5.168 ( -7.815 -3.792 -4.017) 9.570 5.476 ( -0.627 -5.795 2.249) 6.247 5.551 ( -4.479 4.109 -0.736) 6.122 5.674 ( -3.039 -0.012 -1.371) 3.334 5.877 ( 3.636 4.481 -0.937) 5.846 5.974 ( -1.554 4.552 5.396) 7.229 6.176 ( -1.428 6.828 -1.908) 7.231 6.251 ( -6.475 0.856 -3.142) 7.248 6.382 ( 0.258 2.920 -6.542) 7.169 6.489 ( -2.443 0.376 -2.944) 3.844 6.934 ( 3.500 3.177 -1.319) 4.907 7.028 ( -1.845 -1.145 0.163) 2.178 7.331 ( -0.806 2.199 -0.666) 2.434 7.392 ( 4.172 -2.017 2.074) 5.077 7.587 ( -4.967 2.750 -0.861) 5.742 7.750 ( -3.887 -2.926 -2.785) 5.606 8.326 ( 3.107 0.455 0.514) 3.182 8.482 ( 3.125 -6.211 -0.840) 7.004 8.966 ( -2.490 0.423 0.359) 2.551 9.077 ( -1.041 -3.876 -1.709) 4.362 9.381 ( -0.658 -0.594 -0.747) 1.159 9.478 ( 1.272 -5.471 1.411) 5.792 9.689 ( 3.781 -0.720 0.713) 3.914 9.749 ( -2.495 -2.388 2.275) 4.136 10.181 ( 6.245 0.116 2.135) 6.601 10.274 ( 6.413 -2.947 1.696) 7.259 10.453 ( -3.385 3.020 -3.362) 5.647 10.628 ( -5.098 -5.871 -2.825) 8.273 10.890 ( -5.973 -0.246 0.493) 5.999 10.972 ( -4.031 -3.843 0.927) 5.646 11.533 ( 0.765 2.679 0.115) 2.789 11.624 ( -1.129 -0.959 0.075) 1.483 12.669 ( 3.427 2.355 -0.561) 4.196 12.729 ( 3.606 -0.200 0.284) 3.622 12.975 ( 0.453 2.020 -0.791) 2.216 13.104 ( 1.637 -3.861 -0.878) 4.285 13.714 ( 0.728 -2.086 0.147) 2.214 13.738 ( -1.321 -3.107 -1.074) 3.543 14.021 ( 3.508 4.059 1.108) 5.478 14.105 ( -1.863 2.349 -0.434) 3.029 14.189 ( 1.638 -1.651 -1.723) 2.894 14.306 ( 3.087 -3.919 -3.719) 6.222 14.936 ( -5.401 3.387 -2.781) 6.955 15.107 ( -2.124 -3.100 -1.732) 4.138 15.606 ( 1.685 0.801 -0.566) 1.950 15.625 ( -0.495 0.356 -0.605) 0.858 15.776 ( 2.157 -0.054 3.236) 3.889 15.893 ( -3.512 -5.886 1.986) 7.136 16.310 ( 4.446 1.338 -0.937) 4.736 16.389 ( 5.674 -2.506 -0.925) 6.272 16.957 ( -3.564 0.586 0.331) 3.627 16.989 ( -3.485 -0.815 -0.619) 3.632 19.400 ( 1.956 2.767 1.412) 3.671 19.457 ( -0.402 0.252 -0.067) 0.479 20.901 ( -1.145 -0.066 0.657) 1.322 20.921 ( -0.150 -0.855 -0.640) 1.078 21.785 ( 6.275 4.014 -0.490) 7.465 21.888 ( 1.986 -0.906 0.288) 2.202 22.819 ( -0.225 3.158 0.206) 3.173 22.910 ( -5.246 -1.018 0.017) 5.343 27.182 ( 12.809 3.816 1.926) 13.503 27.405 ( 10.678 -6.532 -6.727) 14.210 28.405 ( -13.964 3.004 0.852) 14.309 28.538 ( -11.680 -2.776 -3.471) 12.497 31.060 ( 3.239 -0.703 2.660) 4.250 31.091 ( 2.574 -2.094 2.466) 4.134 31.468 ( 5.549 1.311 0.596) 5.732 31.514 ( 0.612 -0.165 3.464) 3.521 31.661 ( 5.275 0.682 1.262) 5.467 31.812 ( -1.062 -5.257 -0.421) 5.379 31.981 ( -4.096 2.606 1.515) 5.086 32.093 ( -5.658 -3.367 3.612) 7.510 33.328 ( 6.497 -0.312 1.202) 6.615 33.367 ( 7.256 -1.597 -0.579) 7.453 33.700 ( -5.706 1.261 0.353) 5.854 33.770 ( -5.906 -1.588 -2.272) 6.524 35.395 ( 0.991 6.981 -0.667) 7.082 35.634 ( -1.486 -1.634 3.806) 4.400 35.842 ( 5.991 4.885 -0.654) 7.758 36.040 ( 0.355 0.622 0.749) 1.036 36.348 ( -2.915 7.339 -1.377) 8.016 36.526 ( 3.666 -1.864 0.999) 4.233 37.736 ( -5.406 -1.648 -1.111) 5.760 37.888 ( -3.276 -7.672 -1.770) 8.527 ======================= Grid point 116 (63/88) ======================= q-point: (-0.43 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -3.729 -3.800 7.763) 9.413 1.545 ( -2.921 -6.739 2.330) 7.706 2.017 ( -4.383 2.139 -1.177) 5.017 2.139 ( 2.381 -0.171 3.699) 4.402 2.408 ( -7.359 5.188 3.362) 9.612 2.467 ( -3.427 6.808 -2.316) 7.966 2.626 ( -2.028 1.063 1.903) 2.977 2.817 ( 0.350 -8.934 3.823) 9.723 3.037 ( -2.995 9.969 4.109) 11.190 3.161 ( 3.044 7.548 6.026) 10.127 3.237 ( 3.406 4.954 -1.819) 6.282 3.455 ( 4.820 0.947 -4.105) 6.401 3.520 ( -2.959 11.768 -0.256) 12.137 3.783 ( 5.131 8.470 -1.048) 9.959 3.896 ( 3.114 1.448 -0.844) 3.536 4.051 ( 0.050 1.266 5.921) 6.055 4.155 ( -0.686 2.541 -3.384) 4.287 4.308 ( -6.868 -1.796 2.855) 7.651 4.464 ( -3.921 -1.981 -1.074) 4.522 4.659 ( 10.360 -6.923 5.976) 13.819 4.724 ( 0.605 0.549 4.295) 4.372 4.813 ( 1.997 -0.469 2.862) 3.521 4.871 ( -4.951 -0.013 -1.192) 5.093 5.045 ( -3.177 -5.835 -3.948) 7.729 5.221 ( 6.888 1.922 -2.035) 7.435 5.349 ( -9.385 7.466 1.949) 12.149 5.460 ( -5.944 -4.276 -0.319) 7.329 5.662 ( 5.091 -2.664 1.790) 6.018 5.877 ( -4.381 6.948 -2.215) 8.507 6.048 ( 2.119 5.632 3.917) 7.180 6.065 ( -1.366 3.338 2.628) 4.463 6.232 ( 4.911 0.283 -3.774) 6.200 6.405 ( 1.574 0.244 -5.466) 5.693 6.443 ( -2.283 1.093 -0.672) 2.619 6.961 ( 1.732 3.342 -2.184) 4.352 7.069 ( 3.122 0.297 -3.470) 4.677 7.316 ( -0.279 4.456 0.503) 4.493 7.492 ( 5.412 -1.993 0.698) 5.809 7.588 ( 3.979 -0.580 0.714) 4.084 7.690 ( -1.013 -3.313 -3.563) 4.970 8.329 ( -3.157 0.056 0.225) 3.166 8.485 ( -2.827 -6.389 -0.743) 7.026 8.936 ( 0.124 0.701 0.761) 1.042 9.079 ( 0.827 -4.218 -1.384) 4.516 9.360 ( -1.162 -0.404 -0.037) 1.231 9.492 ( 0.185 -5.086 0.869) 5.163 9.693 ( -2.331 1.124 1.243) 2.871 9.785 ( 4.920 -3.373 0.720) 6.008 10.260 ( -3.359 0.581 1.377) 3.676 10.337 ( 2.312 -1.510 -1.998) 3.409 10.438 ( -4.063 -2.145 -0.162) 4.597 10.504 ( 1.581 -4.045 -1.583) 4.622 10.868 ( 4.191 1.675 1.261) 4.686 10.996 ( 5.502 -4.612 -0.155) 7.181 11.537 ( -0.472 2.070 0.125) 2.126 11.604 ( -0.847 -0.507 0.635) 1.174 12.682 ( -2.125 2.422 -0.925) 3.352 12.741 ( -2.520 -0.145 0.009) 2.524 12.963 ( -1.522 2.029 -0.544) 2.594 13.098 ( -2.202 -3.889 -0.632) 4.514 13.723 ( -0.268 -1.676 -0.449) 1.756 13.752 ( 2.814 -3.122 -1.239) 4.382 13.943 ( -5.411 3.196 1.602) 6.485 14.090 ( -5.478 -3.572 1.207) 6.650 14.263 ( 7.194 2.886 -3.581) 8.538 14.386 ( 3.383 -1.204 -5.888) 6.897 14.895 ( 1.890 4.117 -1.085) 4.658 15.109 ( 2.378 -4.375 -2.017) 5.373 15.600 ( -1.803 0.515 -0.647) 1.984 15.627 ( -0.071 0.063 -0.648) 0.655 15.809 ( -1.920 -0.890 1.382) 2.528 15.871 ( 5.058 -4.848 3.559) 7.858 16.301 ( -5.949 1.302 -0.631) 6.123 16.391 ( -5.937 -2.981 -0.855) 6.699 16.938 ( 2.009 0.898 0.729) 2.318 16.975 ( 2.235 -1.129 -0.079) 2.505 19.411 ( -1.477 1.774 1.748) 2.896 19.433 ( -1.550 0.855 0.048) 1.771 20.893 ( 0.555 0.815 0.421) 1.072 20.941 ( 2.075 -1.298 -0.687) 2.542 21.801 ( -5.054 3.897 -0.998) 6.460 21.897 ( -0.771 -0.646 0.035) 1.007 22.843 ( 0.286 2.047 -0.695) 2.180 22.884 ( 5.023 0.057 0.840) 5.093 27.195 ( -11.731 2.597 2.809) 12.339 27.342 ( -15.371 -4.152 -5.900) 16.979 28.413 ( 14.887 3.862 0.336) 15.384 28.585 ( 15.231 -4.044 -4.798) 16.473 31.053 ( -4.267 -0.499 2.894) 5.180 31.097 ( -2.169 -2.146 2.463) 3.921 31.460 ( -5.338 0.858 1.641) 5.650 31.518 ( -1.743 -1.191 1.819) 2.786 31.700 ( -1.209 -0.313 0.747) 1.455 31.762 ( -2.981 -3.117 1.119) 4.456 31.999 ( 5.223 2.199 1.030) 5.759 32.091 ( 5.262 -2.797 3.564) 6.944 33.325 ( -6.728 0.448 0.596) 6.769 33.386 ( -6.153 -2.186 -0.483) 6.548 33.691 ( 5.325 1.382 0.633) 5.538 33.765 ( 5.644 -1.676 -2.154) 6.269 35.413 ( 0.890 6.548 -1.328) 6.741 35.602 ( -2.027 0.487 4.075) 4.578 35.938 ( 2.560 2.889 -1.924) 4.313 36.011 ( -1.917 4.837 -0.595) 5.237 36.311 ( -0.687 3.698 2.287) 4.402 36.551 ( -1.709 -5.238 -0.955) 5.592 37.676 ( 1.069 1.490 0.046) 1.834 37.926 ( 6.056 -8.574 -2.314) 10.749 ======================= Grid point 117 (64/88) ======================= q-point: (-0.29 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.065 0.892 10.055) 10.150 1.509 ( 0.103 -4.622 3.869) 6.029 1.954 ( -2.978 4.351 3.335) 6.239 2.146 ( -1.681 3.993 -1.281) 4.518 2.310 ( -0.421 -1.554 10.864) 10.983 2.439 ( 0.484 6.857 3.526) 7.725 2.528 ( -8.180 2.358 -1.433) 8.633 2.768 ( -3.102 -2.760 3.933) 5.719 3.015 ( -4.521 4.538 3.513) 7.306 3.113 ( -0.851 2.315 0.655) 2.552 3.286 ( -4.592 6.038 1.942) 7.830 3.467 ( -1.399 2.130 2.846) 3.820 3.544 ( 2.746 4.337 -1.122) 5.254 3.792 ( -4.013 8.368 4.369) 10.258 3.903 ( -2.779 1.650 2.210) 3.915 4.074 ( 2.344 -7.090 -0.396) 7.478 4.154 ( -1.170 3.562 1.982) 4.241 4.299 ( 0.161 0.578 -7.888) 7.911 4.400 ( 4.489 3.594 1.738) 6.008 4.679 ( -5.843 4.145 -4.086) 8.247 4.720 ( -4.503 -2.544 -5.790) 7.763 4.798 ( 1.450 0.879 -1.252) 2.108 4.892 ( 4.117 -2.091 4.140) 6.202 4.980 ( -2.459 2.147 -4.466) 5.532 5.144 ( -3.987 8.994 -1.406) 9.938 5.343 ( 1.423 -0.453 2.045) 2.532 5.448 ( 3.992 -4.437 4.743) 7.624 5.730 ( -0.432 -8.510 4.302) 9.546 5.871 ( 4.156 5.949 -4.670) 8.630 6.028 ( 3.853 4.220 2.889) 6.403 6.172 ( 5.056 6.976 2.081) 8.863 6.344 ( 3.387 0.390 2.074) 3.990 6.374 ( -1.855 0.430 2.082) 2.821 6.496 ( 7.076 -4.164 -4.122) 9.187 7.011 ( 1.083 5.007 -4.941) 7.118 7.081 ( -0.204 2.524 -2.994) 3.921 7.348 ( 2.941 -0.720 -0.890) 3.155 7.492 ( -4.446 -4.450 -3.211) 7.063 7.730 ( 8.630 1.731 1.186) 8.881 7.776 ( 9.570 1.486 1.530) 9.804 8.224 ( -6.859 -0.110 0.107) 6.861 8.380 ( -6.729 -6.525 -0.895) 9.416 8.956 ( 0.774 -0.148 0.703) 1.056 9.103 ( 1.854 -2.662 -0.158) 3.248 9.353 ( 0.650 -2.338 -0.372) 2.455 9.495 ( 0.252 -5.254 0.465) 5.280 9.659 ( -1.204 2.479 0.317) 2.774 9.855 ( 1.227 -5.797 0.370) 5.937 10.143 ( -6.225 0.730 -0.357) 6.278 10.247 ( -6.407 -3.843 -2.011) 7.737 10.465 ( 4.274 0.729 -1.681) 4.651 10.562 ( 1.306 -3.555 1.330) 4.014 11.049 ( 12.503 1.169 1.043) 12.601 11.148 ( 9.008 -3.588 -0.517) 9.710 11.529 ( 0.284 1.324 0.255) 1.378 11.601 ( 0.819 -1.344 1.350) 2.074 12.576 ( -8.618 1.281 -0.609) 8.734 12.614 ( -10.149 -0.260 0.478) 10.163 12.945 ( 0.242 0.979 -1.241) 1.599 13.042 ( -2.712 -3.435 -1.107) 4.514 13.674 ( -5.709 1.585 0.358) 5.936 13.786 ( -1.492 -3.983 -1.615) 4.549 13.903 ( -0.282 -0.734 -0.714) 1.062 13.953 ( -2.832 -2.778 0.372) 3.985 14.386 ( 4.189 3.219 -5.123) 7.359 14.439 ( 2.408 1.061 -4.721) 5.404 14.990 ( 6.789 4.132 0.477) 7.961 15.170 ( 3.371 -3.415 -2.744) 5.528 15.561 ( -2.123 0.513 -0.140) 2.189 15.628 ( 1.201 -2.133 0.795) 2.573 15.801 ( 0.685 2.118 1.988) 2.984 15.968 ( 2.299 -5.949 1.922) 6.661 16.117 ( -9.864 0.364 1.055) 9.927 16.192 ( -12.590 -2.817 -0.881) 12.932 17.011 ( 4.317 0.819 1.098) 4.529 17.047 ( 4.200 -0.973 0.482) 4.338 19.350 ( -3.981 2.124 1.753) 4.841 19.399 ( -2.169 0.159 0.687) 2.281 20.929 ( 2.940 1.477 0.049) 3.290 20.994 ( 3.186 -1.510 -0.711) 3.597 21.652 ( -8.758 5.490 -1.452) 10.438 21.821 ( -6.759 -2.590 -0.481) 7.254 22.895 ( 4.919 4.247 -1.190) 6.606 23.014 ( 6.971 -1.468 0.674) 7.155 26.865 ( -18.737 1.110 2.246) 18.904 26.944 ( -22.006 -2.516 -5.087) 22.726 28.842 ( 25.359 3.599 0.186) 25.614 28.993 ( 24.032 -3.687 -4.121) 24.660 30.907 ( -10.304 0.311 3.294) 10.822 31.002 ( -7.659 -3.750 2.884) 9.002 31.331 ( -6.950 0.991 0.600) 7.046 31.427 ( -6.522 -2.949 1.205) 7.258 31.646 ( -3.379 1.292 0.684) 3.682 31.712 ( -2.603 -2.348 0.968) 3.636 32.164 ( 10.651 1.364 0.938) 10.779 32.241 ( 8.884 -2.250 2.273) 9.442 33.138 ( -11.197 0.662 1.324) 11.295 33.207 ( -10.547 -2.449 0.411) 10.835 33.827 ( 7.039 1.704 0.506) 7.260 33.908 ( 7.562 -1.712 -2.643) 8.191 35.430 ( 0.939 6.405 -1.587) 6.665 35.554 ( -3.156 4.013 3.918) 6.436 35.894 ( -3.650 2.909 -4.766) 6.671 36.031 ( 1.055 0.556 1.915) 2.256 36.305 ( -0.903 1.040 3.627) 3.880 36.473 ( -4.598 -5.303 -0.870) 7.073 37.793 ( 9.766 3.772 1.889) 10.638 38.083 ( 9.097 -8.486 -4.675) 13.290 ======================= Grid point 118 (65/88) ======================= q-point: (-0.14 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 6.153 2.814 8.937) 11.209 1.517 ( -0.554 -0.755 6.265) 6.335 1.910 ( 1.053 7.700 11.860) 14.180 2.154 ( -0.530 9.991 0.983) 10.053 2.322 ( -8.231 5.209 8.830) 13.147 2.361 ( 5.107 -5.744 11.032) 13.445 2.497 ( 3.373 1.181 -0.298) 3.586 2.725 ( -2.431 -2.326 5.453) 6.408 2.920 ( -5.722 1.916 0.692) 6.074 3.010 ( -11.378 6.101 -3.373) 13.344 3.151 ( -1.613 3.775 -1.037) 4.234 3.342 ( -11.420 -1.251 3.171) 11.918 3.571 ( -10.242 3.929 3.442) 11.497 3.690 ( 5.533 3.719 2.325) 7.061 3.887 ( -3.322 5.111 4.428) 7.534 4.058 ( 0.263 -5.978 -2.839) 6.623 4.180 ( 1.290 0.561 -4.005) 4.245 4.281 ( 0.621 -1.200 -2.997) 3.287 4.481 ( 1.591 5.439 -0.105) 5.667 4.615 ( -2.155 2.502 -5.538) 6.448 4.649 ( 0.456 2.836 -4.662) 5.476 4.815 ( 1.268 6.170 -3.539) 7.225 4.948 ( 0.556 2.581 -5.405) 6.015 5.039 ( 7.930 0.003 5.105) 9.431 5.183 ( 5.212 5.695 -1.153) 7.806 5.358 ( 0.736 1.011 -1.994) 2.354 5.496 ( 1.267 -2.320 4.995) 5.651 5.746 ( 2.237 -9.894 3.641) 10.777 5.938 ( 1.460 3.893 -0.834) 4.241 6.115 ( 2.694 3.253 1.194) 4.389 6.245 ( -0.228 6.820 0.690) 6.858 6.329 ( 2.829 4.363 3.148) 6.079 6.436 ( 3.197 -1.614 3.612) 5.086 6.642 ( 5.357 -8.327 -4.093) 10.714 6.951 ( -3.738 3.594 -1.729) 5.466 7.090 ( -1.431 -1.063 -5.146) 5.446 7.374 ( 0.685 1.356 -2.172) 2.651 7.456 ( 1.699 -1.877 -2.016) 3.237 7.848 ( 2.830 2.872 -0.361) 4.048 7.989 ( 6.747 -1.561 1.101) 7.012 8.089 ( -3.307 3.541 1.923) 5.213 8.277 ( -2.441 -4.864 -1.082) 5.549 8.954 ( -0.582 -0.434 0.637) 0.966 9.151 ( 2.608 -5.587 0.407) 6.179 9.378 ( 1.615 -2.479 -1.189) 3.189 9.503 ( 0.235 -5.754 0.188) 5.762 9.642 ( -0.670 2.485 -0.875) 2.718 9.821 ( -3.855 -5.372 -0.352) 6.621 10.035 ( -4.113 1.907 -0.055) 4.534 10.182 ( -0.927 -4.244 0.021) 4.345 10.517 ( 0.705 -0.520 -1.144) 1.441 10.576 ( 0.811 -2.121 0.886) 2.438 11.275 ( 8.247 -0.912 -0.427) 8.309 11.318 ( 8.086 -2.551 -0.088) 8.479 11.565 ( 3.131 0.450 0.388) 3.187 11.647 ( 3.676 -2.704 2.296) 5.109 12.361 ( -11.723 0.761 0.446) 11.756 12.396 ( -10.506 -0.948 0.594) 10.566 12.966 ( 1.481 0.101 -2.059) 2.538 13.008 ( -0.316 -2.080 -1.396) 2.525 13.548 ( -5.583 1.515 -0.529) 5.809 13.639 ( -9.060 -3.320 -1.116) 9.714 13.938 ( 3.454 0.410 -0.382) 3.499 14.011 ( 4.068 -2.705 -0.869) 4.962 14.392 ( -2.818 3.952 -5.508) 7.341 14.459 ( -0.559 0.351 -4.758) 4.804 15.135 ( 7.800 3.525 1.755) 8.737 15.253 ( 5.717 -1.782 -1.168) 6.101 15.510 ( -3.958 2.316 0.665) 4.633 15.620 ( -5.120 -1.448 0.604) 5.355 15.801 ( -1.324 0.401 0.392) 1.438 15.901 ( -3.335 -2.410 -1.638) 4.429 15.961 ( -6.190 0.341 0.848) 6.257 16.085 ( 1.481 -6.284 5.792) 8.674 17.083 ( 2.778 1.026 1.104) 3.160 17.120 ( 2.910 -0.556 0.525) 3.009 19.277 ( -3.006 2.952 2.193) 4.750 19.359 ( -1.420 -0.536 0.525) 1.606 20.994 ( 3.066 1.556 -0.440) 3.466 21.057 ( 2.859 -1.341 -0.788) 3.255 21.490 ( -6.917 5.718 -1.548) 9.107 21.665 ( -7.791 -2.934 -0.583) 8.346 23.006 ( 5.333 4.523 -1.272) 7.107 23.131 ( 4.442 -1.665 0.179) 4.747 26.536 ( -13.645 0.085 0.495) 13.654 26.556 ( -14.865 -0.744 -1.359) 14.946 29.318 ( 20.964 2.900 0.054) 21.163 29.456 ( 21.086 -3.425 -4.388) 21.808 30.680 ( -11.571 -0.006 3.908) 12.213 30.811 ( -10.962 -6.242 3.441) 13.076 31.214 ( -4.560 1.179 0.242) 4.717 31.303 ( -5.266 -2.656 0.520) 5.920 31.597 ( -1.510 1.564 1.000) 2.393 31.647 ( -3.485 -0.225 -1.150) 3.677 32.395 ( 12.261 -0.024 0.840) 12.289 32.427 ( 9.577 -1.160 1.599) 9.778 32.906 ( -11.995 0.882 2.481) 12.281 32.995 ( -10.788 -3.231 1.290) 11.335 33.942 ( 4.313 2.113 0.283) 4.811 34.031 ( 4.684 -1.684 -2.869) 5.745 35.442 ( -0.448 7.111 -0.093) 7.125 35.496 ( -1.686 6.347 1.346) 6.704 35.845 ( -0.978 -0.166 -2.465) 2.657 35.992 ( -5.287 -5.035 0.524) 7.320 36.278 ( -0.837 2.542 4.711) 5.418 36.427 ( -0.267 -1.973 1.100) 2.274 38.000 ( 9.458 2.479 0.483) 9.790 38.244 ( 6.681 -7.733 -5.985) 11.843 ======================= Grid point 119 (66/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.929 -4.325 2.968) 5.327 1.514 ( 0.929 4.325 2.968) 5.327 2.099 ( -3.809 -4.140 14.109) 15.189 2.099 ( -3.809 4.140 14.109) 15.189 2.443 ( 5.837 -7.461 11.984) 15.276 2.443 ( 5.837 7.461 11.984) 15.276 2.600 ( 0.245 -6.646 3.303) 7.425 2.600 ( 0.245 6.646 3.303) 7.425 2.815 ( -3.460 -5.200 -0.603) 6.275 2.815 ( -3.460 5.200 -0.603) 6.275 3.227 ( 1.628 -10.814 -7.254) 13.123 3.227 ( 1.628 10.814 -7.254) 13.123 3.575 ( -7.022 -12.876 2.478) 14.874 3.575 ( -7.022 12.876 2.478) 14.874 3.957 ( 2.971 -8.776 -4.233) 10.186 3.957 ( 2.971 8.776 -4.233) 10.186 4.280 ( 1.963 -3.336 -2.474) 4.594 4.280 ( 1.963 3.336 -2.474) 4.594 4.561 ( -0.779 -4.173 1.610) 4.540 4.561 ( -0.779 4.173 1.610) 4.540 4.862 ( -4.260 -5.537 0.003) 6.987 4.862 ( -4.260 5.537 0.003) 6.987 5.006 ( 1.892 -13.380 3.769) 14.029 5.006 ( 1.892 13.380 3.769) 14.029 5.382 ( 3.825 -7.047 -4.089) 9.001 5.382 ( 3.825 7.047 -4.089) 9.001 5.606 ( 4.208 -5.687 2.460) 7.490 5.606 ( 4.208 5.687 2.460) 7.490 6.122 ( -0.390 -9.816 -3.936) 10.583 6.122 ( -0.390 9.816 -3.936) 10.583 6.301 ( -3.801 -6.153 1.671) 7.423 6.301 ( -3.801 6.153 1.671) 7.423 6.506 ( -0.024 -2.741 -0.869) 2.876 6.506 ( -0.024 2.741 -0.869) 2.876 6.979 ( -0.053 -2.169 -0.408) 2.208 6.979 ( -0.053 2.169 -0.408) 2.208 7.452 ( -0.298 -2.607 -2.640) 3.722 7.452 ( -0.298 2.607 -2.640) 3.722 7.899 ( -0.909 -3.739 0.186) 3.852 7.899 ( -0.909 3.739 0.186) 3.852 8.237 ( 1.474 -4.013 1.322) 4.475 8.237 ( 1.474 4.013 1.322) 4.475 9.015 ( 1.004 -7.397 -0.882) 7.517 9.015 ( 1.004 7.397 -0.882) 7.517 9.424 ( 0.178 -2.051 -0.741) 2.188 9.424 ( 0.178 2.051 -0.741) 2.188 9.676 ( -1.707 -3.282 -0.065) 3.700 9.676 ( -1.707 3.282 -0.065) 3.700 10.056 ( -0.695 -4.968 1.203) 5.159 10.056 ( -0.695 4.968 1.203) 5.159 10.546 ( 0.472 -2.382 0.005) 2.429 10.546 ( 0.472 2.382 0.005) 2.429 11.357 ( 0.442 -1.445 -0.361) 1.553 11.357 ( 0.442 1.445 -0.361) 1.553 11.643 ( 0.139 -2.392 0.771) 2.517 11.643 ( 0.139 2.392 0.771) 2.517 12.245 ( -0.438 -1.420 1.275) 1.958 12.245 ( -0.438 1.420 1.275) 1.958 12.991 ( 0.206 -1.016 -2.497) 2.703 12.991 ( 0.206 1.016 -2.497) 2.703 13.523 ( 1.484 -1.132 -1.709) 2.531 13.523 ( 1.484 1.132 -1.709) 2.531 13.998 ( -0.748 -2.357 -1.122) 2.715 13.998 ( -0.748 2.357 -1.122) 2.715 14.387 ( -2.747 -2.166 -3.786) 5.155 14.387 ( -2.747 2.166 -3.786) 5.155 15.345 ( 3.648 -2.212 2.250) 4.823 15.345 ( 3.648 2.212 2.250) 4.823 15.456 ( -2.883 -1.993 -0.901) 3.619 15.456 ( -2.883 1.993 -0.901) 3.619 15.791 ( -1.626 -2.212 0.293) 2.761 15.791 ( -1.626 2.212 0.293) 2.761 16.023 ( 2.788 -4.467 2.541) 5.847 16.023 ( 2.788 4.467 2.541) 5.847 17.142 ( 0.627 -0.952 0.478) 1.236 17.142 ( 0.627 0.952 0.478) 1.236 19.318 ( 0.776 -2.943 1.413) 3.355 19.318 ( 0.776 2.943 1.413) 3.355 21.053 ( -0.937 -1.566 -0.667) 1.943 21.053 ( -0.937 1.566 -0.667) 1.943 21.503 ( -0.604 -4.338 -0.371) 4.395 21.503 ( -0.604 4.338 -0.371) 4.395 23.134 ( -0.044 -2.969 -0.664) 3.043 23.134 ( -0.044 2.969 -0.664) 3.043 26.400 ( 0.417 -0.226 0.025) 0.475 26.400 ( 0.417 0.226 0.025) 0.475 29.611 ( -1.479 -3.686 -2.974) 4.962 29.611 ( -1.479 3.686 -2.974) 4.962 30.571 ( 1.079 -2.281 4.237) 4.932 30.571 ( 1.079 2.281 4.237) 4.932 31.202 ( -0.250 -2.221 0.235) 2.247 31.202 ( -0.250 2.221 0.235) 2.247 31.609 ( 0.028 -2.304 -0.176) 2.311 31.609 ( 0.028 2.304 -0.176) 2.311 32.566 ( 0.169 -0.693 0.058) 0.715 32.566 ( 0.169 0.693 0.058) 0.715 32.767 ( -0.565 -1.903 3.339) 3.884 32.767 ( -0.565 1.903 3.339) 3.884 34.036 ( 0.189 -2.434 -1.505) 2.868 34.036 ( 0.189 2.434 -1.505) 2.868 35.547 ( -0.668 -4.584 0.685) 4.683 35.547 ( -0.668 4.584 0.685) 4.683 35.806 ( -1.297 -3.972 0.647) 4.228 35.806 ( -1.297 3.972 0.647) 4.228 36.382 ( 1.443 -4.484 4.243) 6.340 36.382 ( 1.443 4.484 4.243) 6.340 38.174 ( 0.010 -5.693 -4.986) 7.568 38.174 ( 0.010 5.693 -4.986) 7.568 ======================= Grid point 121 (67/88) ======================= q-point: ( 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.155 -6.055 1.607) 6.267 1.529 ( 0.155 6.055 1.607) 6.267 2.034 ( -2.049 -7.025 13.241) 15.129 2.034 ( -2.049 7.025 13.241) 15.129 2.431 ( -3.373 -4.742 6.372) 8.629 2.431 ( -3.373 4.742 6.372) 8.629 2.656 ( 4.098 -5.924 2.489) 7.621 2.656 ( 4.098 5.924 2.489) 7.621 2.911 ( 8.874 -5.093 1.903) 10.407 2.911 ( 8.874 5.093 1.903) 10.407 3.327 ( 5.761 -7.944 -5.992) 11.497 3.327 ( 5.761 7.944 -5.992) 11.497 3.511 ( 3.230 -6.849 6.064) 9.701 3.511 ( 3.230 6.849 6.064) 9.701 3.964 ( -3.044 -10.282 -0.135) 10.724 3.964 ( -3.044 10.282 -0.135) 10.724 4.306 ( 1.428 -2.299 -5.082) 5.758 4.306 ( 1.428 2.299 -5.082) 5.758 4.538 ( -2.075 -7.661 1.231) 8.032 4.538 ( -2.075 7.661 1.231) 8.032 4.745 ( -6.050 -3.365 -1.898) 7.178 4.745 ( -6.050 3.365 -1.898) 7.178 5.035 ( 0.679 -10.930 2.317) 11.194 5.035 ( 0.679 10.930 2.317) 11.194 5.416 ( -1.385 -6.421 0.952) 6.638 5.416 ( -1.385 6.421 0.952) 6.638 5.659 ( 1.002 -3.981 -1.941) 4.541 5.659 ( 1.002 3.981 -1.941) 4.541 6.081 ( -2.734 -11.765 -5.508) 13.275 6.081 ( -2.734 11.765 -5.508) 13.275 6.235 ( -2.159 -8.184 3.061) 9.000 6.235 ( -2.159 8.184 3.061) 9.000 6.502 ( 0.219 -1.971 0.525) 2.051 6.502 ( 0.219 1.971 0.525) 2.051 6.996 ( 0.608 -4.336 -0.453) 4.402 6.996 ( 0.608 4.336 -0.453) 4.402 7.401 ( -3.580 -2.384 -2.131) 4.800 7.401 ( -3.580 2.384 -2.131) 4.800 7.919 ( 0.592 -4.779 1.185) 4.959 7.919 ( 0.592 4.779 1.185) 4.959 8.213 ( -1.660 -3.348 -0.365) 3.754 8.213 ( -1.660 3.348 -0.365) 3.754 9.043 ( 1.420 -7.399 -1.859) 7.760 9.043 ( 1.420 7.399 -1.859) 7.760 9.406 ( -1.668 -1.424 0.065) 2.194 9.406 ( -1.668 1.424 0.065) 2.194 9.661 ( 0.303 -3.359 1.607) 3.736 9.661 ( 0.303 3.359 1.607) 3.736 10.063 ( 1.268 -3.873 0.629) 4.124 10.063 ( 1.268 3.873 0.629) 4.124 10.559 ( 0.884 -3.015 -0.737) 3.228 10.559 ( 0.884 3.015 -0.737) 3.228 11.280 ( -8.174 -0.770 -0.595) 8.232 11.280 ( -8.174 0.770 -0.595) 8.232 11.611 ( -1.882 -3.536 0.699) 4.066 11.611 ( -1.882 3.536 0.699) 4.066 12.362 ( 10.286 -1.237 1.107) 10.419 12.362 ( 10.286 1.237 1.107) 10.419 12.986 ( -0.009 -1.487 -2.199) 2.654 12.986 ( -0.009 1.487 -2.199) 2.654 13.623 ( 7.061 -0.868 -1.975) 7.384 13.623 ( 7.061 0.868 -1.975) 7.384 13.947 ( -2.961 -3.018 -0.934) 4.329 13.947 ( -2.961 3.018 -0.934) 4.329 14.346 ( -1.971 -1.257 -1.469) 2.761 14.346 ( -1.971 1.257 -1.469) 2.761 15.249 ( -6.796 -0.515 -1.593) 6.999 15.249 ( -6.796 0.515 -1.593) 6.999 15.579 ( 7.473 -3.272 1.254) 8.254 15.579 ( 7.473 3.272 1.254) 8.254 15.752 ( -1.313 -0.939 2.027) 2.591 15.752 ( -1.313 0.939 2.027) 2.591 16.093 ( 4.199 -4.467 -0.148) 6.133 16.093 ( 4.199 4.467 -0.148) 6.133 17.127 ( -2.240 -0.952 0.090) 2.436 17.127 ( -2.240 0.952 0.090) 2.436 19.357 ( 2.773 -3.330 0.901) 4.426 19.357 ( 2.773 3.330 0.901) 4.426 20.999 ( -3.636 -1.123 -0.010) 3.805 20.999 ( -3.636 1.123 -0.010) 3.805 21.569 ( 6.535 -4.861 -0.120) 8.145 21.569 ( 6.535 4.861 -0.120) 8.145 23.082 ( -4.773 -3.803 -0.420) 6.117 23.082 ( -4.773 3.803 -0.420) 6.117 26.558 ( 14.758 -2.711 -0.800) 15.026 26.558 ( 14.758 2.711 -0.800) 15.026 29.344 ( -21.652 -3.316 -1.132) 21.934 29.344 ( -21.652 3.316 -1.132) 21.934 30.737 ( 11.801 -1.593 2.764) 12.224 30.737 ( 11.801 1.593 2.764) 12.224 31.248 ( 4.880 -2.573 0.434) 5.533 31.248 ( 4.880 2.573 0.434) 5.533 31.627 ( 1.683 -4.956 0.155) 5.236 31.627 ( 1.683 4.956 0.155) 5.236 32.403 ( -11.235 -2.595 1.301) 11.604 32.403 ( -11.235 2.595 1.301) 11.604 32.928 ( 11.237 -0.546 2.110) 11.446 32.928 ( 11.237 0.546 2.110) 11.446 33.994 ( -4.310 -2.346 -1.554) 5.147 33.994 ( -4.310 2.346 -1.554) 5.147 35.535 ( -0.446 -7.436 0.892) 7.502 35.535 ( -0.446 7.436 0.892) 7.502 35.822 ( 2.532 -7.729 1.646) 8.298 35.822 ( 2.532 7.729 1.646) 8.298 36.418 ( 2.047 -3.558 2.435) 4.773 36.418 ( 2.047 3.558 2.435) 4.773 38.090 ( -7.668 -6.037 -4.240) 10.640 38.090 ( -7.668 6.037 -4.240) 10.640 ======================= Grid point 123 (68/88) ======================= q-point: ( 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -2.137 -3.469 2.137) 4.601 1.510 ( -2.137 3.469 2.137) 4.601 2.051 ( 2.701 -5.536 3.956) 7.321 2.051 ( 2.701 5.536 3.956) 7.321 2.408 ( 1.272 -2.599 3.332) 4.413 2.408 ( 1.272 2.599 3.332) 4.413 2.783 ( 9.050 -7.809 3.136) 12.358 2.783 ( 9.050 7.809 3.136) 12.358 3.002 ( -2.470 -2.535 5.135) 6.237 3.002 ( -2.470 2.535 5.135) 6.237 3.367 ( 1.775 -9.020 -3.341) 9.781 3.367 ( 1.775 9.020 -3.341) 9.781 3.709 ( 9.880 -9.695 4.563) 14.575 3.709 ( 9.880 9.695 4.563) 14.575 3.915 ( 1.183 -10.304 4.009) 11.120 3.915 ( 1.183 10.304 4.009) 11.120 4.277 ( -4.180 -1.932 -5.411) 7.105 4.277 ( -4.180 1.932 -5.411) 7.105 4.503 ( -1.240 -8.110 -1.203) 8.292 4.503 ( -1.240 8.110 -1.203) 8.292 4.665 ( -1.303 -4.560 0.531) 4.772 4.665 ( -1.303 4.560 0.531) 4.772 5.038 ( -0.788 -6.007 -0.255) 6.064 5.038 ( -0.788 6.007 -0.255) 6.064 5.321 ( -6.504 -4.782 4.574) 9.278 5.321 ( -6.504 4.782 4.574) 9.278 5.675 ( 0.796 -1.009 -2.368) 2.694 5.675 ( 0.796 1.009 -2.368) 2.694 6.011 ( -3.797 -4.482 -2.840) 6.525 6.011 ( -3.797 4.482 -2.840) 6.525 6.243 ( 2.532 -2.440 -1.272) 3.739 6.243 ( 2.532 2.440 -1.272) 3.739 6.501 ( -1.316 -2.447 -0.692) 2.863 6.501 ( -1.316 2.447 -0.692) 2.863 6.991 ( -0.586 -5.602 0.726) 5.679 6.991 ( -0.586 5.602 0.726) 5.679 7.347 ( -1.353 -1.539 -1.525) 2.554 7.347 ( -1.353 1.539 -1.525) 2.554 7.829 ( -8.564 -2.261 -0.328) 8.863 7.829 ( -8.564 2.261 -0.328) 8.863 8.267 ( 6.110 -3.037 -0.408) 6.836 8.267 ( 6.110 3.037 -0.408) 6.836 9.046 ( -1.316 -5.217 -2.030) 5.751 9.046 ( -1.316 5.217 -2.030) 5.751 9.383 ( -0.246 -2.212 0.879) 2.393 9.383 ( -0.246 2.212 0.879) 2.393 9.681 ( 1.207 -3.834 2.660) 4.820 9.681 ( 1.207 3.834 2.660) 4.820 10.109 ( 3.590 -2.886 0.462) 4.630 10.109 ( 3.590 2.886 0.462) 4.630 10.569 ( -0.232 -3.617 -2.192) 4.236 10.569 ( -0.232 3.617 -2.192) 4.236 11.079 ( -10.845 -1.382 0.458) 10.942 11.079 ( -10.845 1.382 0.458) 10.942 11.590 ( -0.406 -3.573 -0.085) 3.597 11.590 ( -0.406 3.573 -0.085) 3.597 12.574 ( 9.806 -1.358 0.622) 9.919 12.574 ( 9.806 1.358 0.622) 9.919 12.999 ( 1.384 -2.380 -1.547) 3.158 12.999 ( 1.384 2.380 -1.547) 3.158 13.712 ( 0.647 -1.239 -0.749) 1.586 13.712 ( 0.647 1.239 -0.749) 1.586 13.964 ( 6.150 -3.412 -1.878) 7.280 13.964 ( 6.150 3.412 -1.878) 7.280 14.284 ( -4.369 -2.026 0.089) 4.817 14.284 ( -4.369 2.026 0.089) 4.817 15.128 ( -5.662 -2.635 -2.576) 6.756 15.128 ( -5.662 2.635 -2.576) 6.756 15.621 ( -0.898 -1.928 -0.480) 2.180 15.621 ( -0.898 1.928 -0.480) 2.180 15.793 ( 2.678 -3.806 3.810) 6.014 15.793 ( 2.678 3.806 3.810) 6.014 16.204 ( 7.387 -2.056 -1.672) 7.848 16.204 ( 7.387 2.056 -1.672) 7.848 17.058 ( -4.428 -0.999 -0.168) 4.543 17.058 ( -4.428 0.999 -0.168) 4.543 19.412 ( 2.453 -2.726 0.731) 3.739 19.412 ( 2.453 2.726 0.731) 3.739 20.936 ( -2.463 -0.549 0.198) 2.532 20.936 ( -2.463 0.549 0.198) 2.532 21.722 ( 8.148 -4.386 0.052) 9.253 21.722 ( 8.148 4.386 0.052) 9.253 22.970 ( -5.949 -3.948 -0.115) 7.140 22.970 ( -5.949 3.948 -0.115) 7.140 26.922 ( 20.627 -5.388 -1.686) 21.386 26.922 ( 20.627 5.388 -1.686) 21.386 28.873 ( -24.271 -3.155 -0.536) 24.481 28.873 ( -24.271 3.155 -0.536) 24.481 30.945 ( 8.424 -1.344 2.521) 8.896 30.945 ( 8.424 1.344 2.521) 8.896 31.377 ( 7.375 -2.941 0.625) 7.964 31.377 ( 7.375 2.941 0.625) 7.964 31.669 ( 2.368 -6.186 0.984) 6.696 31.669 ( 2.368 6.186 0.984) 6.696 32.190 ( -10.064 -2.984 1.912) 10.669 32.190 ( -10.064 2.984 1.912) 10.669 33.150 ( 10.832 -0.960 1.136) 10.934 33.150 ( 10.832 0.960 1.136) 10.934 33.876 ( -7.251 -2.141 -1.435) 7.695 33.876 ( -7.251 2.141 -1.435) 7.695 35.533 ( 0.148 -7.574 0.610) 7.600 35.533 ( 0.148 7.574 0.610) 7.600 35.892 ( 4.109 -8.110 2.715) 9.488 35.892 ( 4.109 8.110 2.715) 9.488 36.459 ( 1.770 -1.142 -0.276) 2.124 36.459 ( 1.770 1.142 -0.276) 2.124 37.907 ( -9.563 -5.347 -2.729) 11.291 37.907 ( -9.563 5.347 -2.729) 11.291 ======================= Grid point 125 (69/88) ======================= q-point: ( 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -2.744 -3.450 3.874) 5.869 1.460 ( -2.744 3.450 3.874) 5.869 2.090 ( 0.397 -2.732 -2.775) 3.914 2.090 ( 0.397 2.732 -2.775) 3.914 2.501 ( 7.192 -2.675 4.424) 8.858 2.501 ( 7.192 2.675 4.424) 8.858 2.778 ( -11.659 -7.255 -1.722) 13.840 2.778 ( -11.659 7.255 -1.722) 13.840 3.060 ( 11.839 -3.939 6.846) 14.232 3.060 ( 11.839 3.939 6.846) 14.232 3.388 ( -1.593 -9.593 1.587) 9.853 3.388 ( -1.593 9.593 1.587) 9.853 3.772 ( -1.636 -5.500 -1.395) 5.905 3.772 ( -1.636 5.500 -1.395) 5.905 3.979 ( 3.587 -8.543 -0.996) 9.319 3.979 ( 3.587 8.543 -0.996) 9.319 4.257 ( 1.046 -6.685 2.750) 7.304 4.257 ( 1.046 6.685 2.750) 7.304 4.485 ( 0.295 -3.132 -0.042) 3.146 4.485 ( 0.295 3.132 -0.042) 3.146 4.680 ( 2.298 -7.104 5.530) 9.292 4.680 ( 2.298 7.104 5.530) 9.292 4.978 ( -4.464 -5.016 -3.196) 7.437 4.978 ( -4.464 5.016 -3.196) 7.437 5.274 ( 2.085 -10.283 4.994) 11.621 5.274 ( 2.085 10.283 4.994) 11.621 5.640 ( -4.734 -3.390 -3.544) 6.817 5.640 ( -4.734 3.390 -3.544) 6.817 5.991 ( 2.368 -3.654 2.302) 4.925 5.991 ( 2.368 3.654 2.302) 4.925 6.254 ( -3.408 -1.438 -5.079) 6.283 6.254 ( -3.408 1.438 -5.079) 6.283 6.453 ( -1.964 -3.560 -2.568) 4.809 6.453 ( -1.964 3.560 -2.568) 4.809 6.993 ( 0.887 -2.502 -0.080) 2.656 6.993 ( 0.887 2.502 -0.080) 2.656 7.359 ( 2.734 -1.232 1.059) 3.180 7.359 ( 2.734 1.232 1.059) 3.180 7.667 ( -6.498 -4.735 -2.891) 8.544 7.667 ( -6.498 4.735 -2.891) 8.544 8.372 ( 3.309 -4.253 -0.152) 5.391 8.372 ( 3.309 4.253 -0.152) 5.391 9.002 ( -2.251 -3.060 -1.442) 4.063 9.002 ( -2.251 3.060 -1.442) 4.063 9.394 ( 0.836 -2.423 0.870) 2.707 9.394 ( 0.836 2.423 0.870) 2.707 9.704 ( 1.012 -1.900 2.223) 3.094 9.704 ( 1.012 1.900 2.223) 3.094 10.211 ( 6.453 -2.749 1.866) 7.258 10.211 ( 6.453 2.749 1.866) 7.258 10.526 ( -4.570 -4.311 -3.547) 7.214 10.526 ( -4.570 4.311 -3.547) 7.214 10.909 ( -4.925 -2.148 0.733) 5.423 10.909 ( -4.925 2.148 0.733) 5.423 11.588 ( -0.057 -2.477 0.145) 2.482 11.588 ( -0.057 2.477 0.145) 2.482 12.711 ( 3.764 -1.616 -0.126) 4.098 12.711 ( 3.764 1.616 -0.126) 4.098 13.029 ( 1.118 -3.349 -0.694) 3.598 13.029 ( 1.118 3.349 -0.694) 3.598 13.699 ( -0.513 -0.644 -0.775) 1.131 13.699 ( -0.513 0.644 -0.775) 1.131 14.095 ( 1.861 -3.063 -0.624) 3.638 14.095 ( 1.861 3.063 -0.624) 3.638 14.219 ( 1.592 -4.251 -1.246) 4.708 14.219 ( 1.592 4.251 -1.246) 4.708 15.024 ( -4.071 -4.829 -2.124) 6.663 15.024 ( -4.071 4.829 -2.124) 6.663 15.621 ( 0.781 -0.741 -0.611) 1.238 15.621 ( 0.781 0.741 -0.611) 1.238 15.803 ( -0.936 -2.952 2.283) 3.847 15.803 ( -0.936 2.952 2.283) 3.847 16.343 ( 4.959 -2.004 -0.970) 5.436 16.343 ( 4.959 2.004 -0.970) 5.436 16.972 ( -3.509 -0.816 -0.210) 3.609 16.972 ( -3.509 0.816 -0.210) 3.609 19.445 ( 0.700 -1.518 0.832) 1.867 19.445 ( 0.700 1.518 0.832) 1.867 20.906 ( -0.569 -0.532 0.047) 0.780 20.906 ( -0.569 0.532 0.047) 0.780 21.853 ( 4.269 -2.594 0.017) 4.995 21.853 ( 4.269 2.594 0.017) 4.995 22.876 ( -2.888 -2.336 0.097) 3.716 22.876 ( -2.888 2.336 0.097) 3.716 27.278 ( 12.186 -5.737 -1.527) 13.556 27.278 ( 12.186 5.737 -1.527) 13.556 28.473 ( -13.010 -3.553 -1.182) 13.538 28.473 ( -13.010 3.553 -1.182) 13.538 31.060 ( 2.989 -0.831 2.674) 4.096 31.060 ( 2.989 0.831 2.674) 4.096 31.497 ( 3.573 -1.443 1.426) 4.109 31.497 ( 3.573 1.443 1.426) 4.109 31.711 ( 1.379 -4.263 0.731) 4.540 31.711 ( 1.379 4.263 0.731) 4.540 32.035 ( -4.688 -2.656 2.574) 5.971 32.035 ( -4.688 2.656 2.574) 5.971 33.336 ( 6.976 -1.129 0.233) 7.071 33.336 ( 6.976 1.129 0.233) 7.071 33.733 ( -5.869 -1.914 -1.115) 6.273 33.733 ( -5.869 1.914 -1.115) 6.273 35.537 ( 0.232 -6.694 0.285) 6.704 35.537 ( 0.232 6.694 0.285) 6.704 35.973 ( 3.570 -6.339 3.311) 7.993 35.973 ( 3.570 6.339 3.311) 7.993 36.472 ( -0.777 -4.296 -2.390) 4.977 36.472 ( -0.777 4.296 -2.390) 4.977 37.759 ( -4.225 -4.217 -1.497) 6.154 37.759 ( -4.225 4.217 -1.497) 6.154 ======================= Grid point 127 (70/88) ======================= q-point: (-0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -1.961 -4.846 5.328) 7.464 1.414 ( -1.961 4.846 5.328) 7.464 2.070 ( -1.704 -3.745 0.008) 4.115 2.070 ( -1.704 3.745 0.008) 4.115 2.548 ( -8.342 -6.326 3.371) 10.999 2.548 ( -8.342 6.326 3.371) 10.999 2.644 ( 3.788 -5.552 -2.283) 7.098 2.644 ( 3.788 5.552 -2.283) 7.098 3.206 ( -4.005 -5.377 2.590) 7.187 3.206 ( -4.005 5.377 2.590) 7.187 3.344 ( 4.151 -8.683 5.037) 10.863 3.344 ( 4.151 8.683 5.037) 10.863 3.775 ( 2.982 -11.051 -3.671) 12.020 3.775 ( 2.982 11.051 -3.671) 12.020 4.009 ( -4.174 -6.894 3.446) 8.765 4.009 ( -4.174 6.894 3.446) 8.765 4.262 ( 1.926 -8.053 5.113) 9.732 4.262 ( 1.926 8.053 5.113) 9.732 4.479 ( -0.380 -6.642 -5.923) 8.908 4.479 ( -0.380 6.642 -5.923) 8.908 4.762 ( 3.493 -3.656 5.119) 7.195 4.762 ( 3.493 3.656 5.119) 7.195 4.929 ( 0.610 -5.160 -2.753) 5.880 4.929 ( 0.610 5.160 -2.753) 5.880 5.315 ( -0.642 -6.384 0.973) 6.490 5.315 ( -0.642 6.384 0.973) 6.490 5.548 ( -2.819 -7.603 1.242) 8.204 5.548 ( -2.819 7.603 1.242) 8.204 6.011 ( -3.143 -5.546 3.148) 7.110 6.011 ( -3.143 5.546 3.148) 7.110 6.200 ( 3.436 -5.164 -4.491) 7.658 6.200 ( 3.436 5.164 -4.491) 7.658 6.424 ( -1.612 -1.927 -1.681) 3.023 6.424 ( -1.612 1.927 -1.681) 3.023 7.034 ( 3.408 -3.313 -2.687) 5.460 7.034 ( 3.408 3.313 -2.687) 5.460 7.419 ( 0.762 -5.045 1.224) 5.247 7.419 ( 0.762 5.045 1.224) 5.247 7.615 ( 3.217 -3.238 -2.447) 5.179 7.615 ( 3.217 3.238 -2.447) 5.179 8.373 ( -3.221 -4.347 -0.242) 5.416 8.373 ( -3.221 4.347 -0.242) 5.416 8.983 ( 0.526 -4.062 -0.808) 4.175 8.983 ( 0.526 4.062 -0.808) 4.175 9.399 ( -0.505 -3.668 0.752) 3.778 9.399 ( -0.505 3.668 0.752) 3.778 9.727 ( 1.176 -2.302 1.544) 3.011 9.727 ( 1.176 2.303 1.544) 3.011 10.292 ( -2.482 -2.418 0.831) 3.563 10.292 ( -2.482 2.418 0.831) 3.563 10.440 ( 0.477 -2.060 -2.228) 3.071 10.440 ( 0.477 2.060 -2.228) 3.071 10.916 ( 5.264 -3.224 0.292) 6.180 10.916 ( 5.264 3.224 0.292) 6.180 11.579 ( -0.880 -1.875 0.472) 2.125 11.579 ( -0.880 1.875 0.472) 2.125 12.724 ( -2.510 -1.590 -0.463) 3.006 12.724 ( -2.510 1.590 -0.463) 3.006 13.020 ( -1.968 -3.581 -0.448) 4.110 13.020 ( -1.968 3.581 -0.448) 4.110 13.712 ( 1.759 -0.731 -1.204) 2.253 13.712 ( 1.759 0.731 -1.204) 2.253 14.013 ( -6.660 -3.752 1.044) 7.715 14.013 ( -6.660 3.752 1.044) 7.715 14.334 ( 6.480 -3.585 -3.971) 8.403 14.334 ( 6.480 3.585 -3.971) 8.403 15.000 ( 2.101 -5.941 -1.198) 6.415 15.000 ( 2.101 5.941 -1.198) 6.415 15.615 ( -1.780 -0.971 -0.708) 2.148 15.615 ( -1.780 0.971 -0.708) 2.148 15.812 ( 2.281 -1.472 2.121) 3.445 15.812 ( 2.281 1.472 2.121) 3.445 16.336 ( -6.052 -2.261 -0.708) 6.499 16.336 ( -6.052 2.261 -0.708) 6.499 16.956 ( 2.098 -0.890 0.272) 2.295 16.956 ( 2.098 0.890 0.272) 2.295 19.436 ( -1.643 -0.613 1.105) 2.073 19.436 ( -1.643 0.613 1.105) 2.073 20.915 ( 1.458 -1.269 -0.162) 1.940 20.915 ( 1.458 1.269 -0.162) 1.940 21.866 ( -3.018 -2.472 -0.387) 3.920 21.866 ( -3.018 2.472 -0.387) 3.920 22.875 ( 2.819 -1.032 0.079) 3.003 22.875 ( 2.819 1.032 0.079) 3.003 27.260 ( -13.471 -3.823 -0.931) 14.034 27.260 ( -13.471 3.823 -0.931) 14.034 28.498 ( 15.076 -4.480 -1.967) 15.850 28.498 ( 15.076 4.480 -1.967) 15.850 31.060 ( -3.224 -1.235 2.746) 4.411 31.060 ( -3.224 1.235 2.746) 4.411 31.488 ( -4.301 -1.659 1.455) 4.834 31.488 ( -4.301 1.659 1.455) 4.834 31.710 ( -1.325 -1.631 1.082) 2.364 31.710 ( -1.325 1.631 1.082) 2.364 32.045 ( 5.189 -2.197 2.145) 6.029 32.045 ( 5.189 2.197 2.145) 6.029 33.346 ( -6.375 -1.647 -0.036) 6.585 33.346 ( -6.375 1.647 -0.036) 6.585 33.726 ( 5.502 -2.013 -0.915) 5.930 33.726 ( 5.502 2.013 -0.915) 5.930 35.542 ( 0.217 -5.611 0.192) 5.619 35.542 ( 0.217 5.611 0.192) 5.619 36.020 ( 0.584 -3.529 2.421) 4.319 36.020 ( 0.584 3.529 2.421) 4.319 36.424 ( -3.561 -6.982 -1.508) 7.981 36.424 ( -3.561 6.982 -1.508) 7.981 37.763 ( 4.595 -6.906 -1.576) 8.443 37.763 ( 4.595 6.906 -1.576) 8.443 ======================= Grid point 129 (71/88) ======================= q-point: (-0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 1.891 -4.995 6.125) 8.127 1.410 ( 1.891 4.995 6.125) 8.127 2.055 ( 0.539 -6.527 5.470) 8.533 2.055 ( 0.539 6.527 5.470) 8.533 2.425 ( -4.236 -7.545 0.209) 8.655 2.425 ( -4.236 7.545 0.209) 8.655 2.638 ( -4.254 -6.915 3.273) 8.753 2.638 ( -4.254 6.915 3.273) 8.753 3.107 ( -3.182 -3.450 1.973) 5.091 3.107 ( -3.182 3.450 1.973) 5.091 3.412 ( -1.870 -5.793 2.283) 6.501 3.412 ( -1.870 5.793 2.283) 6.501 3.774 ( -4.546 -14.659 5.093) 16.171 3.774 ( -4.546 14.659 5.093) 16.171 3.932 ( 0.037 -3.572 -0.285) 3.583 3.932 ( 0.037 3.572 -0.285) 3.583 4.250 ( -3.260 -4.451 -3.754) 6.673 4.250 ( -3.260 4.451 -3.754) 6.673 4.562 ( 6.673 -10.558 -2.352) 12.709 4.562 ( 6.673 10.558 -2.352) 12.709 4.756 ( -1.583 -3.650 -0.200) 3.984 4.756 ( -1.583 3.650 -0.200) 3.984 4.971 ( 1.950 -4.907 -3.659) 6.424 4.971 ( 1.950 4.907 -3.659) 6.424 5.310 ( 2.085 -7.143 -0.883) 7.493 5.310 ( 2.085 7.143 -0.883) 7.493 5.487 ( -3.725 -12.466 8.388) 15.481 5.487 ( -3.725 12.466 8.388) 15.481 6.008 ( 3.939 -5.867 -1.231) 7.174 6.008 ( 3.939 5.867 -1.231) 7.174 6.318 ( 5.851 -5.175 0.823) 7.854 6.318 ( 5.851 5.175 0.823) 7.854 6.396 ( -0.215 -3.757 -1.123) 3.927 6.396 ( -0.215 3.757 -1.123) 3.927 7.090 ( 0.830 -2.170 -4.901) 5.424 7.090 ( 0.830 2.170 -4.901) 5.424 7.388 ( -1.292 -4.787 -1.486) 5.176 7.388 ( -1.292 4.787 -1.486) 5.176 7.771 ( 10.176 -1.801 1.871) 10.502 7.771 ( 10.176 1.801 1.871) 10.502 8.266 ( -6.675 -4.442 -0.403) 8.028 8.266 ( -6.675 4.442 -0.403) 8.028 9.005 ( 1.037 -4.873 -0.565) 5.014 9.005 ( 1.037 4.873 -0.565) 5.014 9.388 ( -0.126 -4.473 0.674) 4.526 9.388 ( -0.126 4.473 0.674) 4.526 9.740 ( -0.211 -5.220 0.827) 5.289 9.740 ( -0.211 5.220 0.827) 5.289 10.178 ( -5.777 -2.684 -1.578) 6.562 10.178 ( -5.777 2.684 -1.578) 6.562 10.499 ( 2.812 -2.576 -0.002) 3.813 10.499 ( 2.812 2.576 -0.002) 3.813 11.085 ( 10.727 -2.501 -0.066) 11.015 11.085 ( 10.727 2.501 -0.066) 11.015 11.565 ( -0.112 -2.042 0.864) 2.220 11.565 ( -0.112 2.042 0.864) 2.220 12.600 ( -9.863 -1.066 0.026) 9.920 12.600 ( -9.863 1.066 0.026) 9.920 12.980 ( -1.279 -2.554 -1.139) 3.075 12.980 ( -1.279 2.554 -1.139) 3.075 13.716 ( -3.888 -2.760 -0.979) 4.868 13.716 ( -3.888 2.760 -0.979) 4.868 13.911 ( -0.917 -1.328 0.082) 1.616 13.911 ( -0.917 1.328 0.082) 1.616 14.435 ( 3.587 -1.453 -5.038) 6.353 14.435 ( 3.587 1.453 -5.038) 6.353 15.084 ( 5.547 -4.865 -0.817) 7.424 15.084 ( 5.547 4.865 -0.817) 7.424 15.583 ( -0.695 -1.789 0.686) 2.038 15.583 ( -0.695 1.789 0.686) 2.038 15.865 ( 1.953 -4.173 1.815) 4.952 15.865 ( 1.953 4.173 1.815) 4.952 16.143 ( -11.657 -1.988 -0.124) 11.826 16.143 ( -11.657 1.988 -0.124) 11.826 17.028 ( 4.342 -0.911 0.773) 4.503 17.028 ( 4.342 0.911 0.773) 4.503 19.387 ( -3.115 -1.349 1.518) 3.718 19.387 ( -3.115 1.349 1.518) 3.718 20.961 ( 3.153 -1.715 -0.432) 3.615 20.961 ( 3.153 1.715 -0.432) 3.615 21.752 ( -7.824 -4.319 -0.917) 8.984 21.752 ( -7.824 4.319 -0.917) 8.984 22.970 ( 6.053 -2.981 -0.208) 6.750 22.970 ( 6.053 2.981 -0.208) 6.750 26.897 ( -20.284 -2.041 -0.818) 20.403 26.897 ( -20.284 2.041 -0.818) 20.403 28.917 ( 24.654 -3.816 -2.005) 25.028 28.917 ( 24.654 3.816 -2.005) 25.028 30.935 ( -9.486 -2.521 2.973) 10.256 30.935 ( -9.486 2.521 2.973) 10.256 31.370 ( -6.751 -2.611 0.720) 7.275 31.370 ( -6.751 2.611 0.720) 7.275 31.672 ( -2.395 -1.525 1.182) 3.076 31.672 ( -2.395 1.525 1.182) 3.076 32.199 ( 9.634 -2.020 1.469) 9.952 32.199 ( 9.634 2.020 1.469) 9.952 33.163 ( -10.942 -1.830 0.719) 11.117 33.163 ( -10.942 1.830 0.719) 11.117 33.867 ( 7.424 -2.178 -1.177) 7.826 33.867 ( 7.424 2.178 -1.177) 7.826 35.547 ( 0.310 -4.273 0.251) 4.292 35.547 ( 0.310 4.273 0.251) 4.292 35.982 ( -4.438 -5.093 0.059) 6.756 35.982 ( -4.438 5.093 0.059) 6.756 36.365 ( -1.705 -4.948 2.370) 5.745 36.365 ( -1.705 4.948 2.370) 5.745 37.913 ( 9.697 -7.808 -2.856) 12.774 37.913 ( 9.697 7.808 -2.856) 12.774 ======================= Grid point 131 (72/88) ======================= q-point: (-0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 3.165 -3.092 4.514) 6.321 1.477 ( 3.165 3.092 4.514) 6.321 2.098 ( 2.749 -10.097 13.833) 17.345 2.098 ( 2.749 10.097 13.833) 17.345 2.371 ( -1.052 -3.730 0.494) 3.907 2.371 ( -1.052 3.730 0.494) 3.907 2.572 ( -0.434 -8.562 6.399) 10.698 2.572 ( -0.434 8.562 6.399) 10.698 3.010 ( -9.660 -5.517 1.820) 11.272 3.010 ( -9.660 5.517 1.820) 11.272 3.278 ( -6.812 -7.928 -2.807) 10.823 3.278 ( -6.812 7.928 -2.807) 10.823 3.704 ( -4.432 -8.164 4.120) 10.162 3.704 ( -4.432 8.164 4.120) 10.162 3.926 ( -0.545 -2.888 -2.154) 3.643 3.926 ( -0.545 2.888 -2.154) 3.643 4.228 ( 2.150 -3.246 -6.314) 7.418 4.228 ( 2.150 3.246 -6.314) 7.418 4.583 ( -1.603 -3.432 -2.150) 4.355 4.583 ( -1.603 3.432 -2.150) 4.355 4.837 ( 6.166 -8.910 3.906) 11.519 4.837 ( 6.166 8.910 3.906) 11.519 4.990 ( 0.256 -2.750 -1.180) 3.003 4.990 ( 0.256 2.750 -1.180) 3.003 5.330 ( 0.529 -5.503 -2.118) 5.920 5.330 ( 0.529 5.503 -2.118) 5.920 5.508 ( 4.914 -6.868 6.106) 10.421 5.508 ( 4.914 6.868 6.106) 10.421 6.093 ( 3.381 -6.809 -3.057) 8.194 6.093 ( 3.381 6.809 -3.057) 8.194 6.348 ( -1.092 -4.744 2.179) 5.333 6.348 ( -1.092 4.744 2.179) 5.333 6.466 ( 4.500 -7.650 -1.050) 8.937 6.466 ( 4.500 7.650 -1.050) 8.937 7.034 ( -4.729 -4.080 -3.864) 7.344 7.034 ( -4.729 4.080 -3.864) 7.344 7.415 ( 3.113 -2.276 -2.240) 4.459 7.415 ( 3.113 2.276 -2.240) 4.459 7.922 ( 2.186 -4.144 1.429) 4.899 7.922 ( 2.186 4.144 1.429) 4.899 8.180 ( 0.536 -4.832 0.873) 4.939 8.180 ( 0.536 4.832 0.873) 4.939 9.011 ( -0.204 -6.076 -0.601) 6.109 9.011 ( -0.204 6.076 -0.601) 6.109 9.403 ( 1.463 -3.734 0.117) 4.012 9.403 ( 1.463 3.734 0.117) 4.012 9.716 ( -2.003 -4.697 -0.369) 5.120 9.716 ( -2.003 4.697 -0.369) 5.120 10.092 ( -3.004 -3.962 -0.029) 4.972 10.092 ( -3.004 3.962 -0.029) 4.972 10.534 ( 0.951 -1.853 0.038) 2.084 10.534 ( 0.951 1.853 0.038) 2.084 11.278 ( 7.501 -1.197 -0.730) 7.631 11.278 ( 7.501 1.197 -0.730) 7.631 11.594 ( 3.090 -2.309 1.418) 4.109 11.594 ( 3.090 2.309 1.418) 4.109 12.378 ( -11.125 -0.854 0.763) 11.184 12.378 ( -11.125 0.854 0.763) 11.184 12.976 ( 0.824 -1.040 -2.100) 2.484 12.976 ( 0.824 1.040 -2.100) 2.484 13.584 ( -6.661 -2.201 -0.888) 7.071 13.584 ( -6.661 2.201 -0.888) 7.071 13.963 ( 3.696 -1.972 -0.902) 4.285 13.963 ( 3.696 1.972 -0.902) 4.285 14.448 ( -1.994 -1.603 -5.581) 6.140 14.448 ( -1.994 1.603 -5.581) 6.140 15.205 ( 6.984 -3.084 0.586) 7.657 15.205 ( 6.984 3.084 0.586) 7.657 15.566 ( -3.115 -3.239 1.343) 4.690 15.566 ( -3.115 3.239 1.343) 4.690 15.839 ( -4.202 -3.133 -1.271) 5.394 15.839 ( -4.202 3.133 -1.271) 5.394 15.996 ( -1.325 -2.943 3.539) 4.790 15.996 ( -1.325 2.943 3.539) 4.790 17.104 ( 3.063 -0.987 0.812) 3.319 17.104 ( 3.063 0.987 0.812) 3.319 19.332 ( -2.161 -2.191 1.728) 3.529 19.332 ( -2.161 2.191 1.728) 3.529 21.027 ( 3.037 -1.636 -0.716) 3.524 21.027 ( 3.037 1.636 -0.716) 3.524 21.592 ( -7.431 -4.381 -0.954) 8.679 21.592 ( -7.431 4.381 -0.954) 8.679 23.084 ( 4.830 -3.135 -0.556) 5.785 23.084 ( 4.830 3.135 -0.556) 5.785 26.543 ( -14.031 -0.576 -0.252) 14.045 26.543 ( -14.031 0.576 -0.252) 14.045 29.385 ( 20.917 -3.586 -2.607) 21.382 29.385 ( 20.917 3.586 -2.607) 21.382 30.712 ( -12.106 -3.357 3.729) 13.105 30.712 ( -12.106 3.357 3.729) 13.105 31.253 ( -4.668 -2.361 0.322) 5.242 31.253 ( -4.668 2.361 0.322) 5.242 31.628 ( -1.821 -1.469 0.265) 2.355 31.628 ( -1.821 1.469 0.265) 2.355 32.405 ( 10.803 -0.948 1.180) 10.908 32.405 ( 10.803 0.948 1.180) 10.908 32.938 ( -11.565 -2.287 1.735) 11.916 32.938 ( -11.565 2.287 1.735) 11.916 33.989 ( 4.601 -2.368 -1.374) 5.354 33.989 ( 4.601 2.368 -1.374) 5.354 35.552 ( 0.118 -2.288 0.379) 2.322 35.552 ( 0.118 2.288 0.379) 2.322 35.875 ( -5.338 -4.749 -0.326) 7.152 35.875 ( -5.338 4.749 -0.326) 7.152 36.359 ( 0.539 -4.515 4.514) 6.407 36.359 ( 0.539 4.515 4.514) 6.407 38.094 ( 7.739 -6.564 -4.337) 11.036 38.094 ( 7.739 6.564 -4.337) 11.036 ======================= Grid point 147 (73/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 0.000 0.000) 0.000 1.525 ( -0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.994 ( -0.000 0.000 0.000) 0.000 2.263 ( -0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.471 ( -0.000 0.000 -0.000) 0.000 2.678 ( -0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 -0.000) 0.000 3.273 ( -0.000 0.000 0.000) 0.000 3.508 ( -0.000 0.000 0.000) 0.000 3.635 ( -0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 -0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.483 ( -0.000 0.000 0.000) 0.000 4.533 ( -0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.167 ( -0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.742 ( -0.000 0.000 0.000) 0.000 5.774 ( -0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 6.112 ( -0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.380 ( -0.000 0.000 0.000) 0.000 6.558 ( -0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.042 ( -0.000 0.000 0.000) 0.000 7.267 ( -0.000 0.000 0.000) 0.000 7.448 ( -0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.982 ( -0.000 0.000 0.000) 0.000 8.176 ( -0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 9.043 ( -0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.458 ( -0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 -0.000) 0.000 9.626 ( -0.000 0.000 0.000) 0.000 9.899 ( -0.000 0.000 0.000) 0.000 9.944 ( -0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 10.655 ( -0.000 0.000 0.000) 0.000 11.474 ( -0.000 0.000 0.000) 0.000 11.520 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 11.843 ( 0.000 0.000 0.000) 0.000 12.161 ( -0.000 0.000 0.000) 0.000 12.281 ( -0.000 0.000 0.000) 0.000 12.977 ( -0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.460 ( -0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 14.126 ( -0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 15.217 ( -0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.408 ( -0.000 0.000 0.000) 0.000 15.467 ( 0.000 0.000 0.000) 0.000 15.752 ( 0.000 0.000 0.000) 0.000 15.812 ( -0.000 0.000 0.000) 0.000 16.100 ( -0.000 0.000 0.000) 0.000 16.326 ( -0.000 0.000 0.000) 0.000 17.099 ( -0.000 0.000 0.000) 0.000 17.152 ( 0.000 0.000 0.000) 0.000 19.182 ( -0.000 0.000 0.000) 0.000 19.313 ( -0.000 0.000 0.000) 0.000 20.983 ( 0.000 0.000 0.000) 0.000 21.102 ( 0.000 0.000 0.000) 0.000 21.234 ( -0.000 0.000 0.000) 0.000 21.643 ( 0.000 0.000 0.000) 0.000 22.925 ( 0.000 0.000 0.000) 0.000 23.216 ( -0.000 0.000 0.000) 0.000 26.407 ( -0.000 0.000 0.000) 0.000 26.430 ( 0.000 0.000 0.000) 0.000 29.611 ( 0.000 0.000 0.000) 0.000 29.629 ( -0.000 0.000 -0.000) 0.000 30.720 ( 0.000 0.000 0.000) 0.000 30.868 ( -0.000 0.000 0.000) 0.000 31.198 ( -0.000 0.000 0.000) 0.000 31.318 ( -0.000 0.000 0.000) 0.000 31.429 ( 0.000 0.000 0.000) 0.000 31.576 ( 0.000 0.000 0.000) 0.000 32.573 ( -0.000 0.000 0.000) 0.000 32.596 ( 0.000 0.000 0.000) 0.000 32.842 ( -0.000 0.000 0.000) 0.000 32.939 ( -0.000 0.000 0.000) 0.000 33.962 ( 0.000 0.000 0.000) 0.000 34.048 ( 0.000 0.000 0.000) 0.000 35.231 ( -0.000 0.000 0.000) 0.000 35.315 ( 0.000 0.000 0.000) 0.000 35.838 ( 0.000 0.000 0.000) 0.000 35.897 ( -0.000 0.000 -0.000) 0.000 36.219 ( -0.000 0.000 0.000) 0.000 36.453 ( -0.000 0.000 0.000) 0.000 38.223 ( 0.000 0.000 0.000) 0.000 38.427 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 149 (74/88) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -9.807 0.000 7.003) 12.051 1.585 ( 4.317 0.000 5.378) 6.896 1.704 ( 8.214 0.000 -6.436) 10.435 2.003 ( 1.291 0.000 -1.949) 2.338 2.221 ( -8.565 0.000 -6.228) 10.590 2.333 ( 5.155 0.000 -1.497) 5.368 2.584 ( 2.261 0.000 -0.027) 2.261 2.770 ( 6.453 0.000 6.544) 9.190 2.850 ( -0.267 0.000 -3.725) 3.735 3.048 ( 11.468 0.000 3.787) 12.077 3.185 ( -2.899 0.000 4.362) 5.238 3.431 ( -2.042 0.000 -0.289) 2.062 3.496 ( 5.830 0.000 0.184) 5.833 3.716 ( 8.704 0.000 1.671) 8.863 3.805 ( 1.642 0.000 -7.239) 7.423 3.940 ( 2.748 0.000 3.188) 4.209 4.059 ( -9.885 0.000 3.287) 10.417 4.231 ( -1.897 0.000 1.423) 2.371 4.290 ( -6.797 0.000 -2.522) 7.250 4.390 ( -0.359 0.000 2.682) 2.706 4.540 ( 3.340 0.000 4.542) 5.638 4.692 ( 3.097 0.000 0.106) 3.099 4.831 ( -0.150 0.000 -3.551) 3.555 4.985 ( -1.003 0.000 -4.734) 4.839 5.132 ( 5.276 0.000 -0.821) 5.340 5.415 ( 4.868 0.000 -6.080) 7.788 5.637 ( -7.392 0.000 -3.495) 8.177 5.758 ( -0.715 0.000 4.039) 4.101 5.860 ( 1.436 0.000 -0.226) 1.454 6.062 ( -3.809 0.000 4.359) 5.789 6.226 ( -0.871 0.000 -4.212) 4.301 6.352 ( -5.929 0.000 -2.429) 6.407 6.520 ( -0.376 0.000 -4.490) 4.506 6.664 ( -5.859 0.000 2.582) 6.403 6.838 ( -7.699 0.000 1.370) 7.820 7.110 ( 1.316 0.000 -1.508) 2.001 7.297 ( 4.423 0.000 3.713) 5.775 7.429 ( -2.599 0.000 2.335) 3.493 7.702 ( -1.820 0.000 3.592) 4.027 7.951 ( -11.916 0.000 0.393) 11.922 8.108 ( 7.590 0.000 -3.263) 8.262 8.370 ( 8.630 0.000 1.710) 8.798 9.041 ( 0.087 0.000 -2.798) 2.800 9.301 ( -7.631 0.000 -2.088) 7.912 9.453 ( -1.594 0.000 5.373) 5.605 9.618 ( -0.929 0.000 -0.700) 1.163 9.658 ( 2.559 0.000 1.188) 2.821 9.890 ( 1.340 0.000 2.596) 2.922 10.032 ( 6.493 0.000 -3.122) 7.204 10.233 ( 2.408 0.000 -0.443) 2.449 10.526 ( -5.738 0.000 3.239) 6.589 10.704 ( 2.680 0.000 -3.269) 4.228 11.363 ( -10.851 0.000 -1.106) 10.907 11.413 ( -9.237 0.000 -0.903) 9.281 11.550 ( -4.553 0.000 1.788) 4.891 11.767 ( -5.910 0.000 -1.755) 6.165 12.332 ( 11.887 0.000 1.289) 11.957 12.400 ( 10.169 0.000 0.657) 10.190 12.955 ( -1.934 0.000 -0.368) 1.969 13.086 ( 1.376 0.000 -0.861) 1.623 13.528 ( 7.542 0.000 -1.982) 7.798 13.661 ( 8.184 0.000 3.824) 9.034 13.984 ( -5.276 0.000 1.177) 5.405 14.089 ( -3.679 0.000 -0.506) 3.713 14.237 ( 4.074 0.000 -1.931) 4.508 14.371 ( -1.492 0.000 1.824) 2.357 15.089 ( -7.603 0.000 -1.887) 7.833 15.283 ( -5.487 0.000 0.375) 5.499 15.469 ( 5.752 0.000 -0.204) 5.755 15.626 ( 6.346 0.000 -0.335) 6.355 15.761 ( 5.208 0.000 1.090) 5.321 15.934 ( 0.814 0.000 1.213) 1.461 15.983 ( 2.217 0.000 -1.058) 2.457 16.362 ( 0.314 0.000 0.973) 1.023 17.084 ( -1.739 0.000 -1.086) 2.050 17.134 ( -1.912 0.000 -0.032) 1.913 19.219 ( 3.318 0.000 0.993) 3.464 19.337 ( 2.301 0.000 -1.339) 2.662 20.963 ( -1.967 0.000 -0.535) 2.039 21.067 ( -3.158 0.000 1.285) 3.410 21.292 ( 6.298 0.000 0.363) 6.309 21.723 ( 7.029 0.000 0.058) 7.030 22.856 ( -5.957 0.000 0.494) 5.978 23.178 ( -3.921 0.000 -0.722) 3.987 26.515 ( 12.193 0.000 1.147) 12.247 26.617 ( 16.005 0.000 -4.337) 16.582 29.310 ( -23.061 0.000 -1.229) 23.094 29.434 ( -20.953 0.000 2.695) 21.126 30.809 ( 8.275 0.000 -3.723) 9.074 30.977 ( 7.639 0.000 2.168) 7.940 31.237 ( 4.187 0.000 3.292) 5.326 31.384 ( 6.261 0.000 3.396) 7.123 31.460 ( 2.969 0.000 -0.143) 2.973 31.678 ( 8.552 0.000 -4.773) 9.794 32.385 ( -13.178 0.000 2.673) 13.447 32.514 ( -7.131 0.000 -2.638) 7.603 32.973 ( 9.725 0.000 -3.039) 10.189 33.073 ( 10.143 0.000 2.223) 10.384 33.925 ( -3.547 0.000 -0.135) 3.549 34.004 ( -4.398 0.000 -0.070) 4.398 35.225 ( -0.459 0.000 2.266) 2.312 35.358 ( 4.239 0.000 -2.961) 5.171 35.789 ( -2.308 0.000 -0.539) 2.370 35.957 ( 2.420 0.000 4.817) 5.391 36.218 ( 0.200 0.000 0.743) 0.769 36.476 ( 2.623 0.000 0.802) 2.743 38.138 ( -7.934 0.000 -1.427) 8.061 38.348 ( -7.237 0.000 0.386) 7.248 ======================= Grid point 150 (75/88) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 10.716 0.000 0.805) 10.746 1.667 ( 2.590 0.000 3.207) 4.122 1.878 ( 6.391 0.000 -3.013) 7.066 2.060 ( 1.070 0.000 1.022) 1.480 2.114 ( 3.821 0.000 -8.709) 9.510 2.411 ( 2.727 0.000 -3.234) 4.231 2.735 ( 1.600 0.000 0.999) 1.886 2.790 ( 9.578 0.000 2.524) 9.905 2.869 ( -3.271 0.000 3.724) 4.957 3.042 ( -5.650 0.000 5.697) 8.024 3.188 ( -2.111 0.000 0.291) 2.131 3.269 ( -5.700 0.000 3.779) 6.839 3.585 ( -8.551 0.000 -0.895) 8.597 3.687 ( -7.807 0.000 0.734) 7.842 3.859 ( 0.371 0.000 -6.841) 6.851 4.018 ( 8.597 0.000 3.277) 9.200 4.115 ( 6.846 0.000 -9.819) 11.970 4.185 ( 5.125 0.000 18.048) 18.761 4.244 ( 0.369 0.000 -2.922) 2.946 4.454 ( 6.849 0.000 4.801) 8.364 4.592 ( 0.138 0.000 1.587) 1.593 4.809 ( 6.270 0.000 0.752) 6.315 4.887 ( 6.856 0.000 -3.446) 7.674 4.965 ( 6.470 0.000 -2.518) 6.943 5.310 ( 9.288 0.000 -6.835) 11.532 5.413 ( -5.200 0.000 -9.717) 11.021 5.532 ( -2.561 0.000 2.378) 3.495 5.724 ( -2.731 0.000 0.487) 2.774 5.775 ( -8.282 0.000 1.226) 8.372 6.056 ( 1.795 0.000 3.055) 3.544 6.171 ( -9.916 0.000 -10.727) 14.608 6.242 ( 2.058 0.000 -3.735) 4.264 6.433 ( -14.044 0.000 2.045) 14.192 6.448 ( -9.484 0.000 2.966) 9.937 6.769 ( 0.837 0.000 4.872) 4.943 7.086 ( -3.035 0.000 -4.252) 5.224 7.349 ( -4.701 0.000 1.096) 4.828 7.443 ( 7.269 0.000 7.180) 10.217 7.696 ( -5.651 0.000 0.844) 5.714 7.711 ( -4.368 0.000 -0.132) 4.370 8.263 ( 7.272 0.000 -0.297) 7.278 8.532 ( 7.387 0.000 1.694) 7.579 9.044 ( -0.198 0.000 -3.273) 3.279 9.160 ( -5.857 0.000 -2.814) 6.497 9.425 ( -0.956 0.000 4.625) 4.723 9.595 ( -0.614 0.000 -2.964) 3.027 9.691 ( 1.117 0.000 1.026) 1.517 9.916 ( -0.403 0.000 2.311) 2.346 10.187 ( 8.594 0.000 0.357) 8.601 10.271 ( 1.738 0.000 1.946) 2.609 10.416 ( -5.132 0.000 2.373) 5.654 10.754 ( 2.849 0.000 -3.886) 4.818 11.097 ( -14.256 0.000 -2.892) 14.546 11.248 ( -7.726 0.000 0.421) 7.737 11.484 ( -1.775 0.000 1.627) 2.408 11.662 ( -4.023 0.000 -1.957) 4.474 12.516 ( 6.695 0.000 1.100) 6.784 12.611 ( 9.133 0.000 0.231) 9.136 12.924 ( -0.830 0.000 -0.081) 0.834 13.127 ( 2.629 0.000 -0.526) 2.681 13.694 ( 8.182 0.000 -4.077) 9.142 13.841 ( 7.619 0.000 7.221) 10.497 13.901 ( -2.657 0.000 -1.932) 3.285 14.022 ( -0.779 0.000 0.645) 1.012 14.257 ( -4.139 0.000 1.424) 4.377 14.332 ( -0.787 0.000 0.171) 0.805 14.950 ( -6.316 0.000 -2.836) 6.924 15.200 ( -3.358 0.000 0.184) 3.363 15.554 ( 2.682 0.000 -0.367) 2.706 15.631 ( -2.556 0.000 1.109) 2.786 15.790 ( -1.012 0.000 0.356) 1.073 16.033 ( 12.956 0.000 1.842) 13.086 16.208 ( 8.377 0.000 -0.727) 8.408 16.321 ( -1.103 0.000 0.288) 1.140 17.023 ( -4.218 0.000 -1.848) 4.605 17.078 ( -3.539 0.000 0.230) 3.547 19.293 ( 3.744 0.000 1.824) 4.164 19.384 ( 1.990 0.000 -1.855) 2.721 20.917 ( -1.922 0.000 -1.293) 2.317 21.005 ( -3.100 0.000 1.484) 3.437 21.463 ( 10.292 0.000 0.539) 10.306 21.863 ( 5.584 0.000 0.618) 5.618 22.747 ( -3.651 0.000 0.642) 3.707 23.064 ( -7.324 0.000 -1.022) 7.395 26.848 ( 19.995 0.000 4.769) 20.556 26.985 ( 20.075 0.000 -8.790) 21.915 28.812 ( -25.802 0.000 -1.350) 25.838 28.953 ( -25.208 0.000 3.612) 25.466 30.980 ( 8.226 0.000 -1.480) 8.358 31.107 ( 5.238 0.000 0.574) 5.270 31.353 ( 6.563 0.000 2.757) 7.118 31.535 ( 5.992 0.000 2.385) 6.449 31.539 ( 6.699 0.000 1.178) 6.802 31.826 ( 5.418 0.000 -5.467) 7.698 32.132 ( -11.831 0.000 1.779) 11.964 32.368 ( -7.059 0.000 -1.442) 7.204 33.174 ( 10.469 0.000 -1.433) 10.566 33.267 ( 8.908 0.000 1.052) 8.970 33.833 ( -5.389 0.000 0.062) 5.390 33.882 ( -7.696 0.000 -0.419) 7.707 35.220 ( -0.149 0.000 1.891) 1.897 35.467 ( 6.578 0.000 -3.535) 7.468 35.762 ( -0.625 0.000 0.604) 0.869 35.948 ( -3.362 0.000 2.518) 4.200 36.231 ( 0.667 0.000 3.076) 3.147 36.562 ( 5.681 0.000 2.360) 6.152 37.946 ( -10.360 0.000 -5.399) 11.683 38.191 ( -7.500 0.000 2.533) 7.916 ======================= Grid point 151 (76/88) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 9.461 0.000 -0.180) 9.462 1.690 ( 0.192 0.000 0.826) 0.848 1.862 ( -3.745 0.000 -1.284) 3.959 2.119 ( 6.229 0.000 -0.841) 6.285 2.282 ( 2.739 0.000 -3.543) 4.478 2.481 ( 6.986 0.000 -6.374) 9.457 2.682 ( -2.905 0.000 3.992) 4.938 2.811 ( 3.456 0.000 1.339) 3.706 2.953 ( 1.485 0.000 0.971) 1.774 3.070 ( 6.143 0.000 10.387) 12.067 3.106 ( -11.851 0.000 7.697) 14.131 3.176 ( -8.636 0.000 -9.308) 12.697 3.270 ( -3.465 0.000 0.174) 3.470 3.566 ( -5.773 0.000 -2.922) 6.470 3.925 ( 3.110 0.000 -1.494) 3.450 3.973 ( -4.156 0.000 1.110) 4.301 4.179 ( -0.884 0.000 -3.181) 3.301 4.349 ( 6.033 0.000 1.525) 6.222 4.399 ( 8.737 0.000 9.320) 12.774 4.559 ( -3.212 0.000 -6.056) 6.855 4.618 ( 9.262 0.000 5.933) 10.999 4.878 ( -2.668 0.000 -3.895) 4.721 5.014 ( 11.618 0.000 4.924) 12.618 5.185 ( 2.652 0.000 -5.360) 5.980 5.344 ( 0.575 0.000 2.289) 2.361 5.388 ( -3.802 0.000 -2.186) 4.385 5.542 ( 7.724 0.000 -8.279) 11.323 5.624 ( -4.763 0.000 0.246) 4.769 5.676 ( -1.993 0.000 -0.973) 2.218 6.034 ( -0.395 0.000 -4.559) 4.576 6.068 ( -3.511 0.000 -0.505) 3.547 6.183 ( -7.600 0.000 4.926) 9.057 6.229 ( -10.245 0.000 4.320) 11.118 6.285 ( 1.219 0.000 -2.993) 3.232 6.834 ( 4.231 0.000 2.760) 5.052 7.000 ( -4.728 0.000 -2.106) 5.176 7.283 ( -1.550 0.000 -1.596) 2.225 7.449 ( -4.460 0.000 3.160) 5.466 7.616 ( 1.011 0.000 2.022) 2.261 7.744 ( 1.780 0.000 -1.103) 2.094 8.377 ( 3.761 0.000 0.710) 3.827 8.636 ( 2.625 0.000 0.822) 2.750 9.000 ( -2.785 0.000 -0.904) 2.928 9.106 ( -0.249 0.000 -2.508) 2.521 9.425 ( 0.283 0.000 2.475) 2.491 9.610 ( 1.771 0.000 -2.233) 2.850 9.715 ( 1.677 0.000 -0.432) 1.732 9.856 ( -4.716 0.000 1.371) 4.912 10.246 ( 0.595 0.000 1.609) 1.715 10.335 ( -2.963 0.000 0.043) 2.963 10.442 ( 12.344 0.000 5.110) 13.360 10.728 ( -10.026 0.000 -5.018) 11.212 10.908 ( -0.225 0.000 -2.417) 2.427 11.115 ( -5.086 0.000 1.274) 5.244 11.477 ( 0.337 0.000 0.529) 0.627 11.612 ( -1.150 0.000 -0.826) 1.416 12.599 ( 1.836 0.000 0.270) 1.855 12.724 ( 2.541 0.000 0.281) 2.556 12.923 ( 0.363 0.000 -0.193) 0.412 13.178 ( 1.966 0.000 -0.116) 1.969 13.834 ( 4.044 0.000 -0.480) 4.072 13.861 ( -0.842 0.000 -1.249) 1.506 13.882 ( 1.278 0.000 -0.390) 1.336 14.095 ( -4.444 0.000 2.924) 5.320 14.169 ( 5.733 0.000 3.564) 6.751 14.306 ( -3.476 0.000 -2.713) 4.410 14.858 ( -2.337 0.000 -1.524) 2.790 15.138 ( -2.417 0.000 0.464) 2.461 15.568 ( -0.455 0.000 0.222) 0.506 15.606 ( 0.061 0.000 -0.166) 0.177 15.838 ( 3.912 0.000 0.799) 3.993 16.134 ( -5.524 0.000 0.069) 5.524 16.254 ( 6.340 0.000 -0.163) 6.342 16.452 ( 5.889 0.000 0.481) 5.909 16.938 ( -3.200 0.000 -1.201) 3.418 17.011 ( -2.485 0.000 0.218) 2.495 19.359 ( 2.653 0.000 1.857) 3.238 19.399 ( -0.483 0.000 -1.802) 1.865 20.906 ( 0.830 0.000 -1.281) 1.527 20.947 ( -2.681 0.000 1.231) 2.950 21.655 ( 7.503 0.000 0.466) 7.517 21.901 ( -1.335 0.000 0.018) 1.335 22.753 ( 3.929 0.000 1.248) 4.122 22.907 ( -7.773 0.000 -1.298) 7.880 27.229 ( 15.232 0.000 7.053) 16.785 27.310 ( 10.122 0.000 -9.314) 13.755 28.375 ( -15.138 0.000 -1.111) 15.179 28.543 ( -13.706 0.000 2.750) 13.979 31.107 ( 4.151 0.000 -0.116) 4.153 31.174 ( 1.342 0.000 -0.003) 1.342 31.465 ( 3.964 0.000 1.248) 4.156 31.613 ( 2.147 0.000 -0.129) 2.151 31.672 ( 4.451 0.000 1.591) 4.727 31.870 ( -0.203 0.000 -2.569) 2.577 31.958 ( -4.752 0.000 0.330) 4.763 32.256 ( -3.531 0.000 -0.222) 3.538 33.355 ( 6.349 0.000 -1.528) 6.530 33.417 ( 5.950 0.000 1.819) 6.222 33.724 ( -7.032 0.000 -0.715) 7.068 33.737 ( -3.530 0.000 0.191) 3.535 35.220 ( 0.034 0.000 0.692) 0.692 35.590 ( 4.974 0.000 -2.436) 5.538 35.756 ( -0.194 0.000 1.072) 1.090 35.863 ( -3.992 0.000 0.807) 4.072 36.239 ( 0.106 0.000 1.500) 1.504 36.665 ( 3.428 0.000 1.904) 3.922 37.777 ( -5.147 0.000 -3.678) 6.326 38.087 ( -2.821 0.000 1.639) 3.262 ======================= Grid point 155 (77/88) ======================= q-point: ( 0.00 0.17 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.000 1.591 0.000) 1.591 1.613 ( 0.000 4.027 0.000) 4.027 1.787 ( -0.000 19.846 0.000) 19.846 2.064 ( -0.000 8.619 0.000) 8.619 2.343 ( -0.000 3.910 0.000) 3.910 2.451 ( 0.000 4.101 0.000) 4.101 2.467 ( -0.000 0.229 -0.000) 0.229 2.681 ( -0.000 0.607 0.000) 0.607 2.757 ( 0.000 -3.384 0.000) 3.384 2.963 ( -0.000 1.957 0.000) 1.957 3.133 ( 0.000 -9.988 0.000) 9.988 3.302 ( -0.000 4.672 0.000) 4.672 3.385 ( -0.000 -8.801 0.000) 8.801 3.743 ( -0.000 8.373 0.000) 8.373 3.894 ( -0.000 5.519 0.000) 5.519 4.036 ( -0.000 0.816 0.000) 0.816 4.056 ( 0.000 -1.946 0.000) 1.946 4.324 ( -0.000 8.013 0.000) 8.013 4.381 ( 0.000 -1.975 0.000) 1.975 4.497 ( 0.000 3.722 0.000) 3.722 4.561 ( -0.000 3.397 0.000) 3.397 4.584 ( 0.000 -0.213 0.000) 0.213 4.884 ( 0.000 -0.797 0.000) 0.797 4.969 ( -0.000 9.073 0.000) 9.073 5.178 ( -0.000 1.244 0.000) 1.244 5.388 ( 0.000 3.717 0.000) 3.717 5.681 ( -0.000 -2.213 0.000) 2.213 5.763 ( 0.000 -2.905 0.000) 2.905 5.920 ( -0.000 9.422 0.000) 9.422 6.073 ( 0.000 -2.875 0.000) 2.875 6.281 ( 0.000 2.588 0.000) 2.588 6.415 ( -0.000 2.850 0.000) 2.850 6.509 ( -0.000 -4.699 0.000) 4.699 6.638 ( 0.000 -3.894 0.000) 3.894 6.984 ( 0.000 -0.398 0.000) 0.398 7.053 ( 0.000 0.156 0.000) 0.156 7.293 ( -0.000 2.588 0.000) 2.588 7.459 ( -0.000 0.731 0.000) 0.731 7.760 ( 0.000 1.264 0.000) 1.264 7.993 ( -0.000 0.639 0.000) 0.639 8.182 ( 0.000 -1.029 -0.000) 1.029 8.194 ( 0.000 1.608 0.000) 1.608 9.013 ( -0.000 -2.918 0.000) 2.918 9.389 ( 0.000 -7.035 0.000) 7.035 9.399 ( -0.000 -1.028 -0.000) 1.028 9.567 ( -0.000 -4.789 0.000) 4.789 9.596 ( 0.000 -0.356 0.000) 0.356 9.858 ( -0.000 -3.692 0.000) 3.692 9.966 ( -0.000 1.696 0.000) 1.696 10.223 ( 0.000 0.618 0.000) 0.618 10.560 ( 0.000 -3.846 0.000) 3.846 10.637 ( -0.000 -1.693 0.000) 1.693 11.443 ( 0.000 -2.934 0.000) 2.934 11.479 ( -0.000 -3.630 0.000) 3.630 11.621 ( 0.000 -0.991 0.000) 0.991 11.802 ( 0.000 -3.597 0.000) 3.597 12.186 ( -0.000 2.045 0.000) 2.045 12.285 ( -0.000 0.203 0.000) 0.203 12.974 ( -0.000 -0.381 0.000) 0.381 13.049 ( 0.000 -2.559 0.000) 2.559 13.464 ( -0.000 0.483 0.000) 0.483 13.548 ( 0.000 -0.591 0.000) 0.591 14.043 ( -0.000 -2.310 0.000) 2.310 14.074 ( 0.000 -3.174 0.000) 3.174 14.226 ( 0.000 3.848 0.000) 3.848 14.381 ( 0.000 -0.170 0.000) 0.170 15.249 ( -0.000 3.129 0.000) 3.129 15.335 ( 0.000 -0.391 0.000) 0.391 15.401 ( -0.000 -0.422 0.000) 0.422 15.479 ( 0.000 0.834 0.000) 0.834 15.755 ( -0.000 0.226 0.000) 0.226 15.840 ( -0.000 2.224 0.000) 2.224 16.051 ( -0.000 -4.202 0.000) 4.202 16.277 ( -0.000 -4.559 0.000) 4.559 17.107 ( -0.000 0.790 0.000) 0.790 17.155 ( 0.000 0.230 0.000) 0.230 19.212 ( -0.000 2.727 0.000) 2.727 19.331 ( -0.000 1.445 0.000) 1.445 20.993 ( 0.000 0.993 0.000) 0.993 21.089 ( -0.000 -0.975 0.000) 0.975 21.287 ( -0.000 4.678 0.000) 4.678 21.625 ( 0.000 -1.750 0.000) 1.750 22.962 ( 0.000 3.443 0.000) 3.443 23.208 ( 0.000 -0.824 0.000) 0.824 26.405 ( -0.000 -0.224 0.000) 0.224 26.423 ( 0.000 -0.656 0.000) 0.656 29.603 ( 0.000 -0.804 0.000) 0.804 29.620 ( -0.000 -0.895 0.000) 0.895 30.671 ( 0.000 -3.993 0.000) 3.993 30.818 ( -0.000 -4.689 0.000) 4.689 31.164 ( -0.000 -1.409 0.000) 1.409 31.293 ( -0.000 -2.058 0.000) 2.058 31.509 ( -0.000 5.377 0.000) 5.377 31.578 ( 0.000 0.325 0.000) 0.325 32.571 ( -0.000 -0.136 0.000) 0.136 32.586 ( 0.000 -0.838 -0.000) 0.838 32.827 ( -0.000 -1.313 0.000) 1.313 32.909 ( -0.000 -2.693 0.000) 2.693 33.974 ( 0.000 1.032 0.000) 1.032 34.046 ( -0.000 -0.278 0.000) 0.278 35.291 ( -0.000 5.674 0.000) 5.674 35.366 ( 0.000 4.783 0.000) 4.783 35.859 ( 0.000 0.892 0.000) 0.892 35.920 ( -0.000 1.255 0.000) 1.255 36.250 ( -0.000 3.435 0.000) 3.435 36.439 ( -0.000 -0.897 0.000) 0.897 38.184 ( 0.000 -3.421 0.000) 3.421 38.360 ( -0.000 -6.105 0.000) 6.105 ======================= Grid point 157 (78/88) ======================= q-point: ( 0.14 0.17 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -5.425 8.308 0.445) 9.932 1.652 ( 0.300 10.514 9.554) 14.210 1.714 ( 1.295 0.606 -5.801) 5.975 2.089 ( 1.937 8.920 -4.560) 10.204 2.224 ( -6.752 2.391 -1.520) 7.323 2.453 ( 7.535 8.569 -3.143) 11.835 2.587 ( 0.638 -0.320 -1.584) 1.737 2.760 ( 7.261 2.825 5.122) 9.324 2.823 ( -0.640 -4.239 -2.522) 4.974 3.005 ( 9.109 -4.509 3.394) 10.716 3.176 ( -0.768 -0.128 1.242) 1.465 3.366 ( -0.497 -4.489 2.208) 5.027 3.509 ( 15.570 1.328 2.725) 15.862 3.750 ( -1.352 2.758 0.314) 3.088 3.900 ( -0.891 4.848 -1.128) 5.057 3.959 ( 1.107 4.310 -1.160) 4.598 4.042 ( -3.108 -1.415 6.860) 7.663 4.255 ( -3.700 4.069 -2.407) 6.004 4.376 ( -7.730 4.586 -3.220) 9.548 4.479 ( 2.868 3.078 6.757) 7.960 4.508 ( 2.243 4.049 -0.927) 4.721 4.664 ( 2.926 -2.062 -0.090) 3.580 4.841 ( -0.943 -0.759 -2.474) 2.754 5.019 ( 0.855 6.162 -3.778) 7.279 5.185 ( 2.984 3.607 -2.130) 5.143 5.412 ( 0.544 -1.502 -6.162) 6.366 5.623 ( -4.013 -0.126 -3.524) 5.342 5.749 ( -0.255 -0.187 1.998) 2.023 5.907 ( -3.789 1.338 3.725) 5.479 6.085 ( 0.883 3.693 2.988) 4.832 6.253 ( -0.858 2.227 -4.359) 4.970 6.352 ( -7.619 -0.378 -3.567) 8.421 6.513 ( 1.124 -0.802 0.562) 1.491 6.620 ( -5.138 -4.519 1.639) 7.036 6.861 ( -6.968 2.183 1.107) 7.385 7.097 ( 1.505 -1.122 -1.569) 2.446 7.311 ( 2.952 1.131 2.675) 4.141 7.430 ( -3.323 -0.041 1.974) 3.866 7.740 ( -0.526 3.595 2.628) 4.484 7.961 ( -10.992 1.206 0.844) 11.090 8.118 ( 6.582 0.818 -3.322) 7.418 8.332 ( 6.982 -3.282 1.092) 7.792 9.022 ( 0.929 -2.321 -1.979) 3.188 9.261 ( -7.269 -2.958 -1.323) 7.959 9.442 ( -0.335 -3.012 2.845) 4.156 9.555 ( -0.588 -3.393 0.432) 3.470 9.629 ( 1.995 -2.574 0.683) 3.327 9.874 ( 1.953 -2.189 2.780) 4.042 10.023 ( 5.130 -0.302 -2.006) 5.516 10.238 ( 1.239 -0.518 -0.549) 1.451 10.505 ( -4.173 -1.473 2.370) 5.020 10.669 ( 2.035 -3.061 -2.556) 4.477 11.327 ( -10.338 -2.826 -0.807) 10.748 11.384 ( -8.476 -2.754 -0.526) 8.928 11.552 ( -4.262 0.306 1.112) 4.415 11.745 ( -4.733 -2.208 -1.527) 5.442 12.339 ( 11.479 0.727 0.994) 11.545 12.402 ( 10.114 0.059 0.642) 10.135 12.952 ( -1.783 -0.325 -0.305) 1.838 13.055 ( 1.221 -2.715 -0.684) 3.054 13.537 ( 7.616 0.815 -1.853) 7.881 13.652 ( 8.105 -0.852 2.561) 8.543 13.960 ( -5.105 -1.866 0.891) 5.508 14.059 ( -2.840 -2.712 -0.940) 4.038 14.265 ( 2.543 2.420 -0.242) 3.519 14.375 ( -1.072 0.305 2.144) 2.416 15.113 ( -7.920 2.317 -1.909) 8.470 15.262 ( -5.728 -1.502 0.346) 5.932 15.482 ( 5.690 1.229 -0.053) 5.822 15.627 ( 6.594 0.080 -0.035) 6.595 15.777 ( 3.935 1.139 0.969) 4.209 15.923 ( -1.265 -1.859 1.547) 2.729 15.971 ( 5.199 -0.265 -0.928) 5.288 16.300 ( -0.050 -5.595 -0.729) 5.642 17.089 ( -1.976 0.503 -0.807) 2.193 17.135 ( -2.128 0.053 -0.297) 2.150 19.244 ( 2.947 2.311 0.748) 3.819 19.357 ( 2.304 1.509 -1.449) 3.112 20.969 ( -2.263 0.555 -0.258) 2.344 21.056 ( -3.044 -0.962 1.351) 3.467 21.347 ( 6.279 4.958 0.573) 8.021 21.706 ( 7.097 -1.714 0.128) 7.302 22.897 ( -5.741 3.744 0.460) 6.869 23.169 ( -3.973 -0.929 -0.636) 4.129 26.517 ( 12.413 0.234 1.025) 12.457 26.603 ( 15.681 -1.243 -3.574) 16.131 29.312 ( -22.699 0.212 -0.586) 22.708 29.419 ( -20.715 -1.456 2.360) 20.900 30.782 ( 9.565 -2.247 -3.037) 10.284 30.937 ( 8.743 -3.901 1.907) 9.762 31.209 ( 4.605 -1.221 1.459) 4.982 31.359 ( 6.309 -2.257 0.819) 6.750 31.509 ( 1.392 3.572 2.630) 4.649 31.676 ( 7.431 -0.213 -3.865) 8.379 32.383 ( -12.761 -0.037 2.112) 12.934 32.496 ( -7.997 -1.637 -2.105) 8.430 32.962 ( 10.119 -0.896 -2.321) 10.421 33.048 ( 10.301 -2.278 1.912) 10.721 33.935 ( -3.727 0.872 -0.109) 3.829 34.001 ( -4.460 -0.333 -0.094) 4.473 35.280 ( -0.779 5.141 2.239) 5.661 35.416 ( 4.673 5.419 -2.904) 7.722 35.805 ( -2.668 0.677 0.414) 2.784 35.986 ( 2.960 1.867 3.788) 5.157 36.252 ( 0.470 3.563 -0.312) 3.608 36.455 ( 1.963 -1.596 0.656) 2.614 38.099 ( -7.894 -3.382 -1.425) 8.705 38.286 ( -6.836 -5.693 0.599) 8.916 ======================= Grid point 158 (79/88) ======================= q-point: ( 0.29 0.17 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 8.564 11.855 -4.014) 15.166 1.658 ( 0.263 1.046 3.015) 3.202 1.794 ( 4.794 -4.462 -1.777) 6.786 2.099 ( -1.077 3.853 2.327) 4.629 2.199 ( 4.055 7.736 -7.185) 11.310 2.520 ( 0.030 5.474 -4.578) 7.136 2.699 ( 5.556 -4.228 2.291) 7.348 2.781 ( 2.884 2.312 -2.635) 4.539 2.902 ( 4.366 3.448 6.514) 8.567 3.084 ( -4.581 5.065 3.900) 7.864 3.139 ( 0.712 -2.173 1.915) 2.982 3.284 ( -5.359 0.477 7.297) 9.066 3.585 ( -9.490 0.213 -6.475) 11.490 3.785 ( -9.443 -0.359 -2.154) 9.692 3.847 ( 5.807 8.282 1.365) 10.207 4.024 ( 9.690 0.614 4.940) 10.894 4.172 ( 1.835 1.813 -0.163) 2.585 4.203 ( 4.036 0.459 5.696) 6.996 4.252 ( 0.691 5.283 -3.774) 6.530 4.522 ( 1.891 3.576 7.776) 8.765 4.634 ( 7.104 3.665 0.593) 8.016 4.741 ( 6.340 -3.858 0.039) 7.422 4.913 ( 9.738 -0.884 -4.210) 10.646 5.009 ( -0.267 5.029 -2.761) 5.743 5.245 ( 0.598 -4.822 -10.560) 11.624 5.391 ( -0.034 -0.287 -3.450) 3.463 5.577 ( -1.306 3.459 0.636) 3.752 5.725 ( -3.621 -1.356 -1.925) 4.319 5.780 ( -7.015 0.900 2.523) 7.509 6.098 ( 0.183 3.100 1.284) 3.361 6.167 ( -7.653 0.575 -8.999) 11.827 6.274 ( 0.269 2.845 -0.261) 2.869 6.408 ( -11.007 -3.075 6.219) 13.011 6.468 ( -8.704 1.541 -2.522) 9.192 6.805 ( 1.146 3.818 4.181) 5.777 7.091 ( -2.116 0.375 -4.029) 4.566 7.341 ( -4.434 -0.696 1.044) 4.608 7.430 ( 6.514 -1.402 6.876) 9.575 7.711 ( -9.919 1.725 0.758) 10.096 7.742 ( -2.168 2.697 -0.972) 3.594 8.256 ( 6.410 -0.787 -0.590) 6.485 8.478 ( 7.351 -4.796 0.910) 8.824 9.035 ( -0.481 -2.056 -2.827) 3.528 9.134 ( -4.435 -1.084 -1.010) 4.676 9.416 ( -1.734 -2.046 1.959) 3.321 9.556 ( 0.918 -2.693 -1.078) 3.043 9.660 ( 1.433 -2.439 0.822) 2.946 9.899 ( -0.963 -1.868 2.456) 3.232 10.156 ( 7.681 -2.292 0.918) 8.068 10.262 ( 2.008 -1.678 1.887) 3.226 10.423 ( -4.098 1.001 0.841) 4.302 10.704 ( 1.731 -4.434 -3.378) 5.837 11.084 ( -13.159 -1.020 -2.019) 13.352 11.213 ( -8.326 -3.192 0.347) 8.924 11.495 ( -1.272 1.085 1.185) 2.049 11.659 ( -3.257 -0.532 -1.817) 3.767 12.529 ( 7.224 1.190 0.991) 7.388 12.614 ( 9.386 0.170 0.407) 9.396 12.926 ( -0.467 0.265 -0.332) 0.632 13.098 ( 2.906 -2.662 -0.476) 3.970 13.699 ( 7.254 0.253 -3.377) 8.006 13.806 ( 4.342 -2.999 4.246) 6.773 13.895 ( -0.254 -0.238 0.294) 0.456 14.012 ( 0.920 -1.343 -0.639) 1.749 14.269 ( -3.657 1.156 1.615) 4.161 14.336 ( -1.770 0.498 1.555) 2.408 14.966 ( -6.931 1.640 -2.504) 7.550 15.179 ( -3.063 -1.755 0.315) 3.544 15.556 ( 2.231 0.233 -0.415) 2.282 15.640 ( -2.400 0.660 0.859) 2.633 15.795 ( -0.785 0.398 0.424) 0.977 16.018 ( 10.704 -1.664 2.139) 11.042 16.195 ( 7.939 -1.615 -0.464) 8.115 16.265 ( 1.241 -4.237 -1.309) 4.605 17.026 ( -4.207 0.253 -1.401) 4.441 17.073 ( -3.962 -0.501 -0.217) 4.000 19.314 ( 3.741 1.972 1.323) 4.431 19.402 ( 1.867 1.409 -1.753) 2.923 20.920 ( -2.062 0.270 -0.942) 2.283 20.995 ( -3.064 -0.968 1.524) 3.556 21.515 ( 9.903 4.669 0.671) 10.969 21.850 ( 6.048 -1.346 0.672) 6.233 22.788 ( -4.079 3.705 0.589) 5.541 23.056 ( -7.107 -0.820 -0.906) 7.212 26.853 ( 20.036 0.465 4.134) 20.463 26.969 ( 20.155 -1.452 -7.481) 21.548 28.820 ( -25.581 0.777 -0.592) 25.599 28.944 ( -24.938 -0.836 2.972) 25.129 30.970 ( 8.671 -0.837 -1.360) 8.817 31.086 ( 5.804 -2.153 0.721) 6.232 31.334 ( 7.329 -1.053 1.342) 7.525 31.504 ( 6.888 -2.074 0.134) 7.194 31.573 ( 5.038 2.042 3.308) 6.364 31.804 ( 4.827 -2.072 -4.267) 6.768 32.138 ( -11.546 0.709 1.480) 11.662 32.335 ( -7.689 -2.837 -1.165) 8.278 33.168 ( 10.507 -0.512 -1.149) 10.582 33.246 ( 9.281 -1.893 1.066) 9.531 33.838 ( -5.766 0.374 0.027) 5.779 33.878 ( -7.677 -0.379 -0.386) 7.696 35.270 ( -0.272 4.807 1.761) 5.127 35.531 ( 6.873 5.869 -3.607) 9.731 35.770 ( -1.141 0.170 2.339) 2.608 35.989 ( -2.656 3.678 1.021) 4.650 36.267 ( 0.623 3.451 1.955) 4.015 36.529 ( 5.308 -2.975 1.935) 6.386 37.909 ( -10.176 -3.151 -4.845) 11.702 38.135 ( -7.471 -5.349 2.523) 9.528 ======================= Grid point 159 (80/88) ======================= q-point: ( 0.43 0.17 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 3.790 0.359 -1.499) 4.091 1.656 ( -0.317 -2.068 -0.683) 2.201 1.897 ( 3.112 6.806 0.455) 7.497 2.132 ( 6.202 3.526 -1.803) 7.359 2.275 ( 2.358 -1.015 -2.839) 3.828 2.514 ( -1.061 2.587 -2.337) 3.644 2.712 ( 0.426 -2.591 1.545) 3.047 2.890 ( 5.339 9.755 -0.226) 11.123 2.943 ( -0.105 2.633 2.397) 3.562 3.041 ( -5.913 0.643 -0.088) 5.948 3.113 ( 0.423 3.804 9.335) 10.089 3.194 ( -3.430 2.234 -0.247) 4.101 3.434 ( -3.161 7.559 -1.957) 8.424 3.560 ( -7.228 1.200 -1.733) 7.529 3.944 ( 1.686 2.197 4.537) 5.316 4.008 ( -4.509 3.033 -5.528) 7.752 4.162 ( -0.097 -0.916 -3.297) 3.423 4.343 ( 6.397 -1.047 4.631) 7.966 4.398 ( 4.577 0.975 1.265) 4.848 4.636 ( 5.101 6.756 3.605) 9.201 4.700 ( 5.708 5.105 5.023) 9.158 4.880 ( -0.210 0.193 -4.067) 4.077 4.999 ( 3.995 -2.684 0.445) 4.833 5.129 ( 5.938 -5.754 -2.224) 8.562 5.224 ( -1.703 -10.053 -2.731) 10.555 5.371 ( -2.160 2.537 -0.626) 3.390 5.589 ( -0.940 2.521 -7.895) 8.341 5.596 ( -4.161 -1.094 2.420) 4.937 5.751 ( 6.780 4.872 -1.526) 8.488 6.042 ( -5.675 0.606 -2.969) 6.433 6.101 ( -1.934 3.380 0.179) 3.898 6.186 ( -4.037 0.187 1.659) 4.368 6.247 ( -8.286 1.577 4.812) 9.711 6.342 ( -0.572 4.601 -2.207) 5.135 6.868 ( 4.040 3.202 1.914) 5.499 7.016 ( -4.609 1.299 -1.363) 4.979 7.287 ( -0.636 0.654 -1.349) 1.628 7.449 ( -4.426 0.047 3.031) 5.364 7.615 ( 1.298 -0.351 2.630) 2.954 7.728 ( -0.447 -1.640 -2.215) 2.792 8.360 ( 3.550 -1.631 0.436) 3.931 8.583 ( 2.553 -4.694 0.405) 5.358 8.982 ( -2.602 -1.501 -1.176) 3.226 9.111 ( 0.372 -0.346 -0.910) 1.042 9.393 ( -0.561 -2.548 0.852) 2.745 9.588 ( 1.662 -2.648 -0.850) 3.240 9.701 ( 3.085 -0.818 -0.320) 3.208 9.828 ( -5.257 -2.227 1.198) 5.834 10.243 ( 2.237 -0.313 2.214) 3.163 10.330 ( -2.490 -0.350 -0.364) 2.541 10.426 ( 10.452 -1.377 3.955) 11.260 10.672 ( -7.935 -5.161 -4.658) 10.550 10.895 ( -2.596 -0.869 -1.765) 3.257 11.073 ( -5.112 -3.775 1.040) 6.439 11.494 ( 0.495 1.647 0.419) 1.770 11.619 ( -0.839 0.470 -0.770) 1.232 12.619 ( 2.048 1.917 0.307) 2.822 12.732 ( 2.682 0.586 0.320) 2.764 12.932 ( 0.613 0.898 -0.290) 1.126 13.155 ( 2.151 -2.310 -0.135) 3.159 13.784 ( 1.382 -3.369 -0.531) 3.680 13.808 ( -1.357 -4.069 0.672) 4.342 13.933 ( 4.560 3.248 -2.345) 6.070 14.094 ( -2.416 -0.234 3.168) 3.991 14.192 ( 3.529 1.746 1.868) 4.358 14.300 ( -3.329 -0.545 -1.003) 3.519 14.857 ( -3.239 0.393 -1.351) 3.532 15.127 ( -1.923 -1.167 0.371) 2.280 15.581 ( 0.562 0.956 0.011) 1.109 15.609 ( -0.618 0.412 0.030) 0.744 15.832 ( 3.486 -0.578 0.793) 3.621 16.055 ( -4.997 -6.814 -0.236) 8.454 16.272 ( 5.380 1.291 -0.203) 5.536 16.429 ( 6.257 -2.082 0.375) 6.605 16.943 ( -3.136 0.403 -0.990) 3.313 16.999 ( -2.705 -1.084 0.022) 2.914 19.380 ( 2.666 1.864 1.489) 3.578 19.416 ( -0.462 1.475 -1.577) 2.208 20.904 ( 0.524 -0.134 -1.060) 1.190 20.940 ( -2.411 -0.683 1.157) 2.760 21.697 ( 7.076 3.794 0.461) 8.042 21.902 ( -0.609 0.004 0.113) 0.619 22.776 ( 2.887 2.149 1.078) 3.757 22.907 ( -7.171 -0.004 -1.145) 7.262 27.231 ( 14.929 0.220 6.065) 16.116 27.301 ( 10.609 -0.865 -8.025) 13.331 28.387 ( -15.010 1.170 -0.729) 15.073 28.535 ( -13.807 -0.792 2.330) 14.025 31.101 ( 4.164 -0.566 -0.161) 4.205 31.158 ( 1.389 -1.557 0.089) 2.088 31.465 ( 4.844 0.119 0.692) 4.895 31.589 ( 1.645 -1.781 -0.090) 2.426 31.684 ( 4.344 0.632 1.589) 4.668 31.852 ( 0.563 -2.335 -2.523) 3.484 31.961 ( -5.350 1.108 0.740) 5.514 32.213 ( -3.886 -3.704 -0.205) 5.372 33.348 ( 6.290 -0.629 -1.147) 6.425 33.404 ( 6.116 -1.279 1.481) 6.422 33.720 ( -6.567 -0.290 -0.565) 6.598 33.735 ( -4.115 -0.220 0.099) 4.122 35.269 ( -0.007 4.669 0.635) 4.711 35.664 ( 5.889 6.295 -4.180) 9.580 35.752 ( -1.266 -0.525 4.398) 4.606 35.914 ( -3.668 5.004 -0.787) 6.254 36.273 ( 0.010 3.076 1.126) 3.275 36.629 ( 3.393 -3.510 1.660) 5.157 37.744 ( -5.041 -2.819 -3.293) 6.648 38.029 ( -2.916 -5.541 1.599) 6.462 ======================= Grid point 163 (81/88) ======================= q-point: ( 0.00 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.000 -0.244 0.000) 0.244 1.612 ( 0.000 -2.794 0.000) 2.794 2.160 ( 0.000 10.621 0.000) 10.621 2.242 ( -0.000 4.317 0.000) 4.317 2.415 ( -0.000 8.177 0.000) 8.177 2.513 ( -0.000 5.262 0.000) 5.262 2.651 ( 0.000 3.135 -0.000) 3.135 2.716 ( 0.000 2.985 0.000) 2.985 2.746 ( -0.000 10.615 -0.000) 10.615 2.918 ( 0.000 -9.975 0.000) 9.975 2.959 ( -0.000 -0.865 0.000) 0.865 3.209 ( 0.000 -8.308 0.000) 8.308 3.456 ( -0.000 8.546 0.000) 8.546 3.833 ( -0.000 0.797 0.000) 0.797 3.852 ( 0.000 -8.054 -0.000) 8.054 4.026 ( -0.000 -4.632 0.000) 4.632 4.096 ( 0.000 6.104 -0.000) 6.104 4.317 ( 0.000 -4.188 0.000) 4.188 4.515 ( 0.000 7.907 0.000) 7.907 4.537 ( -0.000 3.150 0.000) 3.150 4.714 ( 0.000 13.672 -0.000) 13.672 4.722 ( -0.000 9.544 0.000) 9.544 4.890 ( 0.000 1.652 0.000) 1.652 5.164 ( -0.000 6.656 0.000) 6.656 5.215 ( -0.000 2.674 0.000) 2.674 5.404 ( 0.000 -2.188 0.000) 2.188 5.663 ( 0.000 0.488 0.000) 0.488 5.709 ( -0.000 -0.713 0.000) 0.713 6.008 ( -0.000 -4.227 0.000) 4.227 6.086 ( 0.000 5.530 0.000) 5.530 6.327 ( -0.000 -0.557 0.000) 0.557 6.428 ( -0.000 0.435 0.000) 0.435 6.446 ( 0.000 -4.107 0.000) 4.107 6.508 ( 0.000 -5.119 0.000) 5.119 6.973 ( 0.000 -0.687 0.000) 0.687 7.022 ( 0.000 -2.947 0.000) 2.947 7.361 ( -0.000 3.779 0.000) 3.779 7.460 ( -0.000 -0.719 0.000) 0.719 7.814 ( 0.000 3.925 0.000) 3.925 7.976 ( -0.000 -2.711 0.000) 2.711 8.201 ( 0.000 2.882 0.000) 2.882 8.230 ( -0.000 1.716 0.000) 1.716 8.955 ( 0.000 -1.376 0.000) 1.376 9.196 ( 0.000 -10.924 0.000) 10.924 9.391 ( 0.000 0.314 0.000) 0.314 9.473 ( -0.000 -4.073 0.000) 4.073 9.613 ( -0.000 2.186 0.000) 2.186 9.769 ( -0.000 -4.742 0.000) 4.742 10.003 ( -0.000 2.228 0.000) 2.228 10.180 ( 0.000 -4.948 0.000) 4.948 10.515 ( 0.000 0.153 0.000) 0.153 10.594 ( -0.000 -2.376 0.000) 2.376 11.378 ( 0.000 -2.742 0.000) 2.742 11.400 ( -0.000 -3.619 0.000) 3.619 11.616 ( 0.000 0.737 0.000) 0.737 11.721 ( 0.000 -4.038 0.000) 4.038 12.228 ( -0.000 1.971 0.000) 1.971 12.282 ( -0.000 -0.590 0.000) 0.590 12.962 ( -0.000 -0.613 0.000) 0.613 12.993 ( 0.000 -2.559 0.000) 2.559 13.479 ( -0.000 1.015 0.000) 1.015 13.530 ( 0.000 -1.137 0.000) 1.137 13.997 ( -0.000 -1.708 0.000) 1.708 14.016 ( 0.000 -2.360 0.000) 2.360 14.298 ( 0.000 3.179 0.000) 3.179 14.373 ( 0.000 -0.713 0.000) 0.713 15.328 ( -0.000 3.915 0.000) 3.915 15.344 ( 0.000 1.126 0.000) 1.126 15.403 ( 0.000 0.911 0.000) 0.911 15.485 ( -0.000 -0.548 0.000) 0.548 15.763 ( -0.000 0.745 0.000) 0.745 15.856 ( -0.000 -1.972 0.000) 1.972 15.992 ( -0.000 0.264 0.000) 0.264 16.164 ( 0.000 -6.139 0.000) 6.139 17.127 ( 0.000 1.120 0.000) 1.120 17.157 ( 0.000 -0.159 0.000) 0.159 19.277 ( 0.000 3.360 0.000) 3.360 19.352 ( -0.000 0.226 0.000) 0.226 21.018 ( 0.000 1.356 0.000) 1.356 21.068 ( -0.000 -1.094 0.000) 1.094 21.395 ( -0.000 5.600 0.000) 5.600 21.576 ( 0.000 -3.151 0.000) 3.151 23.046 ( 0.000 4.415 0.000) 4.415 23.180 ( 0.000 -1.975 0.000) 1.975 26.400 ( -0.000 -0.172 0.000) 0.172 26.409 ( 0.000 -0.630 0.000) 0.630 29.584 ( 0.000 -0.824 0.000) 0.824 29.597 ( -0.000 -1.274 0.000) 1.274 30.606 ( 0.000 -1.639 0.000) 1.639 30.706 ( -0.000 -5.642 0.000) 5.642 31.166 ( -0.000 1.363 0.000) 1.363 31.249 ( 0.000 -2.209 0.000) 2.209 31.590 ( -0.000 2.362 0.000) 2.362 31.592 ( 0.000 0.956 -0.000) 0.956 32.568 ( -0.000 -0.101 0.000) 0.101 32.571 ( 0.000 -0.546 -0.000) 0.546 32.802 ( -0.000 -0.788 0.000) 0.788 32.849 ( 0.000 -2.836 0.000) 2.836 33.997 ( -0.000 1.159 0.000) 1.159 34.036 ( -0.000 -0.708 0.000) 0.708 35.434 ( -0.000 7.732 0.000) 7.732 35.487 ( 0.000 6.474 0.000) 6.474 35.838 ( 0.000 -2.731 0.000) 2.731 35.901 ( -0.000 -3.575 0.000) 3.575 36.350 ( -0.000 5.563 0.000) 5.563 36.436 ( 0.000 0.569 0.000) 0.569 38.117 ( 0.000 -2.367 0.000) 2.367 38.218 ( 0.000 -6.983 0.000) 6.983 ======================= Grid point 165 (82/88) ======================= q-point: ( 0.14 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.433 0.373 0.256) 1.502 1.635 ( 0.938 -4.690 -3.224) 5.768 2.004 ( -9.835 14.659 4.305) 18.170 2.257 ( -3.215 6.564 -7.861) 10.734 2.335 ( 0.990 3.223 5.818) 6.724 2.504 ( 0.343 3.107 -1.154) 3.332 2.624 ( -5.420 -2.570 -4.672) 7.603 2.762 ( 5.101 -2.518 1.368) 5.851 2.866 ( 6.757 6.341 -1.570) 9.399 2.962 ( 12.053 4.081 1.444) 12.807 3.142 ( 3.619 -0.914 -0.410) 3.755 3.295 ( 10.156 -3.105 5.368) 11.900 3.592 ( 11.254 4.803 4.622) 13.080 3.762 ( -5.644 2.365 -0.282) 6.126 3.920 ( 4.629 -4.753 7.884) 10.304 4.045 ( -1.815 2.395 -0.402) 3.032 4.062 ( 1.804 1.019 -5.605) 5.975 4.263 ( -3.262 -3.400 -1.839) 5.058 4.468 ( -3.007 3.863 2.034) 5.301 4.549 ( 0.671 4.789 -1.483) 5.058 4.636 ( -5.486 6.289 1.695) 8.516 4.714 ( -2.963 8.646 1.271) 9.227 4.882 ( 1.440 5.317 0.039) 5.509 5.150 ( -2.582 2.063 -2.350) 4.055 5.242 ( 0.305 1.942 -6.539) 6.828 5.382 ( 0.759 2.142 -3.958) 4.563 5.654 ( 0.018 1.757 -7.738) 7.935 5.721 ( 0.135 -2.048 2.791) 3.465 5.894 ( -7.090 -1.381 6.051) 9.423 6.182 ( 3.986 1.741 0.101) 4.351 6.237 ( -6.497 -2.822 -1.252) 7.193 6.380 ( -2.912 3.513 0.637) 4.608 6.452 ( -3.563 -6.382 1.910) 7.555 6.527 ( 1.072 -2.286 -0.025) 2.524 6.917 ( -2.578 3.156 0.838) 4.161 7.060 ( 2.424 -2.874 -1.177) 3.940 7.339 ( -0.752 1.891 1.120) 2.323 7.422 ( -3.715 -0.947 0.969) 3.954 7.831 ( 0.644 5.162 0.975) 5.292 7.986 ( -6.032 0.072 0.917) 6.101 8.140 ( 2.319 1.844 -2.435) 3.835 8.262 ( 1.971 -3.415 -0.088) 3.944 8.968 ( 1.075 -1.430 -0.522) 1.864 9.168 ( -2.637 -7.445 -1.267) 7.999 9.369 ( -1.140 -1.007 -0.550) 1.618 9.489 ( 0.325 -4.430 1.620) 4.728 9.621 ( 0.963 2.440 0.752) 2.728 9.799 ( 2.610 -4.830 2.001) 5.843 10.031 ( 2.856 1.272 0.162) 3.131 10.180 ( 0.024 -4.898 0.340) 4.909 10.501 ( -1.349 1.288 0.309) 1.891 10.602 ( 0.613 -3.226 -1.340) 3.547 11.278 ( -8.814 -1.604 -0.448) 8.969 11.318 ( -7.785 -3.286 -0.060) 8.450 11.569 ( -3.324 1.513 0.213) 3.658 11.685 ( -2.982 -3.493 -1.019) 4.704 12.359 ( 10.780 1.159 0.685) 10.863 12.398 ( 10.123 -0.530 0.498) 10.149 12.946 ( -1.069 -0.125 -0.237) 1.101 12.996 ( 0.855 -2.794 -0.498) 2.965 13.557 ( 7.318 1.149 -1.534) 7.565 13.625 ( 7.631 -1.846 0.222) 7.855 13.932 ( -4.323 -0.486 0.591) 4.390 13.997 ( -2.587 -3.134 -0.060) 4.064 14.318 ( 0.944 2.562 1.614) 3.172 14.377 ( -0.257 -0.281 2.631) 2.658 15.172 ( -8.284 3.077 -1.798) 9.018 15.239 ( -6.720 -0.731 -0.042) 6.759 15.521 ( 5.373 2.783 -0.186) 6.054 15.626 ( 6.141 -0.520 0.142) 6.165 15.789 ( 2.220 -0.000 1.007) 2.437 15.857 ( 1.462 -3.850 2.562) 4.849 15.995 ( 3.609 2.492 -1.711) 4.707 16.173 ( 0.226 -6.272 -2.514) 6.760 17.103 ( -2.461 0.858 -0.613) 2.678 17.132 ( -2.511 -0.350 -0.553) 2.595 19.303 ( 2.496 3.227 0.137) 4.082 19.378 ( 2.331 0.220 -1.346) 2.701 20.985 ( -2.806 1.036 0.308) 3.007 21.034 ( -3.086 -1.231 1.207) 3.534 21.463 ( 6.538 6.024 0.760) 8.922 21.656 ( 7.117 -3.268 0.318) 7.838 22.988 ( -5.208 4.848 0.317) 7.122 23.138 ( -4.186 -2.226 -0.373) 4.755 26.526 ( 13.022 0.655 0.566) 13.051 26.573 ( 14.868 -1.577 -1.933) 15.076 29.320 ( -21.692 0.686 0.512) 21.709 29.381 ( -20.350 -2.101 1.594) 20.520 30.744 ( 11.218 -0.887 -1.782) 11.394 30.840 ( 10.483 -5.023 0.586) 11.639 31.213 ( 4.621 1.438 0.343) 4.852 31.307 ( 5.658 -2.710 0.093) 6.275 31.576 ( 0.934 3.053 2.182) 3.867 31.665 ( 4.653 -1.094 -2.067) 5.207 32.390 ( -11.764 0.863 1.040) 11.841 32.457 ( -9.397 -2.056 -0.997) 9.670 32.948 ( 10.666 -0.304 -1.012) 10.718 32.996 ( 10.549 -2.533 1.239) 10.920 33.955 ( -4.113 0.974 -0.101) 4.228 33.990 ( -4.511 -0.713 -0.142) 4.569 35.412 ( -1.212 7.450 1.904) 7.785 35.544 ( 4.508 5.690 -2.419) 7.652 35.795 ( -1.922 -0.786 2.480) 3.235 35.977 ( 4.847 -3.639 1.677) 6.289 36.351 ( 0.151 5.351 -1.972) 5.705 36.439 ( 0.419 0.102 -0.010) 0.431 38.035 ( -7.635 -2.094 -0.929) 7.971 38.150 ( -6.477 -6.973 0.741) 9.546 ======================= Grid point 166 (83/88) ======================= q-point: ( 0.29 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 2.168 -2.153 -2.692) 4.072 1.614 ( -2.340 -5.870 -5.057) 8.093 1.915 ( 1.369 10.452 3.732) 11.183 2.192 ( -3.293 1.740 -0.640) 3.779 2.368 ( 1.134 7.325 1.046) 7.486 2.520 ( 3.455 -2.899 -3.582) 5.759 2.594 ( 0.470 -0.994 -3.437) 3.609 2.853 ( 3.578 -4.672 -1.863) 6.173 3.024 ( 6.493 10.847 -2.842) 12.957 3.145 ( 8.010 3.325 4.088) 9.588 3.195 ( 2.403 5.166 2.941) 6.412 3.359 ( -4.948 3.039 10.370) 11.885 3.628 ( -5.605 6.861 -4.153) 9.785 3.762 ( 0.015 1.931 3.142) 3.688 4.002 ( -0.300 3.363 -2.431) 4.160 4.063 ( 8.148 2.125 6.969) 10.930 4.151 ( 0.535 -2.634 0.063) 2.688 4.211 ( 3.014 -1.285 -2.685) 4.236 4.433 ( -3.533 9.424 0.217) 10.067 4.534 ( 3.228 -2.309 5.266) 6.594 4.637 ( 5.078 -2.961 1.455) 6.055 4.722 ( 6.223 3.983 2.194) 7.707 4.919 ( 1.408 1.537 -1.949) 2.854 5.053 ( -5.750 -3.724 -4.655) 8.282 5.207 ( -2.534 3.606 -6.288) 7.679 5.438 ( 2.236 2.906 -6.093) 7.111 5.647 ( 0.187 0.997 -7.784) 7.850 5.695 ( -2.854 1.973 4.907) 6.010 5.776 ( -4.774 -0.651 2.861) 5.603 6.111 ( -4.165 -3.643 -1.433) 5.716 6.213 ( -1.077 3.107 -0.850) 3.396 6.302 ( -6.186 -0.786 4.974) 7.977 6.376 ( -1.954 2.110 -1.573) 3.278 6.477 ( -5.458 -0.835 -2.958) 6.264 6.911 ( 1.243 6.045 3.658) 7.174 7.086 ( -0.512 -1.427 -2.165) 2.643 7.331 ( -2.936 -0.052 0.898) 3.070 7.388 ( 3.811 -2.500 4.731) 6.570 7.756 ( -10.733 2.596 -0.853) 11.075 7.804 ( -6.597 2.606 -1.171) 7.189 8.234 ( 5.322 -0.817 -0.868) 5.454 8.366 ( 7.401 -5.853 0.398) 9.445 8.980 ( -0.304 -1.545 -1.214) 1.989 9.105 ( -3.193 -3.404 -0.649) 4.712 9.359 ( 0.128 -1.300 -0.941) 1.610 9.490 ( 0.209 -4.701 1.087) 4.830 9.650 ( 1.889 2.343 0.957) 3.158 9.834 ( -0.330 -4.492 2.304) 5.059 10.121 ( 6.144 -0.727 1.678) 6.410 10.200 ( 3.003 -3.850 1.723) 5.177 10.461 ( -2.868 2.625 -1.047) 4.027 10.607 ( -0.334 -4.677 -2.454) 5.293 11.068 ( -11.550 -0.233 -0.674) 11.572 11.139 ( -9.325 -3.614 0.296) 10.005 11.529 ( -0.393 2.335 0.281) 2.385 11.634 ( -1.639 -1.971 -1.385) 2.914 12.559 ( 8.357 1.686 0.872) 8.570 12.611 ( 9.696 -0.547 0.668) 9.735 12.939 ( 0.560 1.101 -0.666) 1.403 13.034 ( 2.879 -3.377 -0.426) 4.458 13.698 ( 4.817 -0.219 -1.732) 5.124 13.743 ( 1.700 -2.834 1.883) 3.804 13.900 ( 2.558 0.759 -0.293) 2.684 13.970 ( 2.837 -2.480 -1.551) 4.075 14.300 ( -3.442 1.780 2.932) 4.859 14.346 ( -2.803 0.128 3.490) 4.478 15.017 ( -7.350 3.345 -1.875) 8.290 15.141 ( -3.642 -2.117 -0.105) 4.214 15.568 ( 1.073 1.121 -0.705) 1.704 15.641 ( -1.880 -0.959 -0.244) 2.124 15.810 ( -0.093 1.354 1.217) 1.823 15.953 ( 3.545 -4.802 2.332) 6.408 16.153 ( 8.133 -1.073 -1.244) 8.297 16.204 ( 7.285 -2.159 -2.147) 7.895 17.033 ( -4.319 0.515 -0.898) 4.441 17.061 ( -4.487 -0.670 -0.760) 4.600 19.364 ( 3.398 2.781 0.333) 4.404 19.424 ( 2.030 0.454 -1.421) 2.519 20.929 ( -2.395 0.694 -0.113) 2.496 20.971 ( -2.976 -1.252 1.339) 3.496 21.626 ( 9.087 5.797 0.803) 10.809 21.808 ( 7.072 -2.897 0.754) 7.679 22.878 ( -4.954 4.867 0.381) 6.956 23.028 ( -6.549 -2.138 -0.553) 6.912 26.868 ( 20.134 1.057 2.267) 20.288 26.933 ( 20.254 -1.981 -4.299) 20.800 28.843 ( -24.986 1.562 0.586) 25.042 28.919 ( -24.475 -1.688 1.864) 24.604 30.956 ( 9.262 -0.259 -0.944) 9.313 31.027 ( 7.439 -3.317 0.464) 8.158 31.336 ( 7.422 1.320 0.125) 7.539 31.447 ( 7.478 -3.422 -0.477) 8.237 31.622 ( 3.238 2.793 2.600) 5.005 31.750 ( 3.571 -3.147 -2.190) 5.239 32.165 ( -10.565 2.003 0.849) 10.787 32.273 ( -8.710 -3.079 -0.480) 9.251 33.160 ( 10.499 -0.149 -0.460) 10.510 33.202 ( 9.909 -2.186 0.907) 10.187 33.846 ( -6.561 0.394 -0.076) 6.573 33.868 ( -7.542 -0.621 -0.341) 7.575 35.397 ( -0.458 7.313 1.370) 7.454 35.630 ( 3.561 0.297 -3.095) 4.727 35.793 ( 1.975 5.086 4.629) 7.156 36.044 ( 1.249 -0.125 0.865) 1.525 36.351 ( -0.203 4.349 -1.559) 4.625 36.469 ( 2.945 -2.352 0.077) 3.770 37.853 ( -9.697 -1.470 -2.802) 10.201 38.000 ( -7.745 -7.309 2.048) 10.845 ======================= Grid point 167 (84/88) ======================= q-point: ( 0.43 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 1.463 -5.174 0.582) 5.408 1.571 ( -1.471 -5.430 -3.994) 6.899 2.003 ( 3.533 2.800 -0.029) 4.508 2.152 ( 1.062 -4.595 1.114) 4.846 2.389 ( -0.207 11.282 -0.857) 11.317 2.578 ( -0.166 4.095 -3.534) 5.412 2.616 ( 3.942 -4.105 0.004) 5.691 2.875 ( -1.229 -7.644 -2.314) 8.080 3.149 ( 4.183 10.273 -0.114) 11.092 3.165 ( 0.053 7.388 1.424) 7.525 3.240 ( -3.613 5.324 4.207) 7.687 3.324 ( 4.422 9.680 4.875) 11.706 3.548 ( -3.622 8.069 -1.544) 8.978 3.652 ( -5.003 8.591 -0.326) 9.947 3.969 ( -3.237 0.368 3.331) 4.660 4.082 ( -1.183 0.597 -2.558) 2.881 4.159 ( -0.573 3.647 -1.562) 4.009 4.336 ( 4.790 -0.766 -0.974) 4.948 4.434 ( 4.813 1.499 1.352) 5.219 4.667 ( 1.203 -7.839 4.679) 9.208 4.757 ( 8.816 -2.071 0.693) 9.083 4.830 ( 2.123 -0.919 3.949) 4.576 4.927 ( -1.371 -1.651 -3.307) 3.942 4.995 ( -0.782 -7.718 -2.046) 8.023 5.153 ( -0.898 5.697 -0.262) 5.773 5.430 ( -0.351 0.977 -2.198) 2.431 5.588 ( -2.489 -0.058 -6.002) 6.498 5.651 ( -6.456 1.251 1.622) 6.773 5.820 ( 12.064 5.030 -0.264) 13.073 6.074 ( -4.881 1.332 2.652) 5.712 6.157 ( -4.455 1.239 -1.627) 4.902 6.186 ( -1.623 0.593 -2.156) 2.763 6.312 ( -3.875 4.575 1.125) 6.101 6.412 ( -0.386 1.560 -0.652) 1.734 6.945 ( 2.017 3.958 0.854) 4.524 7.034 ( -3.728 0.063 0.094) 3.730 7.320 ( 2.037 2.811 0.086) 3.473 7.449 ( -1.246 -0.603 2.948) 3.257 7.594 ( -1.232 -1.222 1.591) 2.354 7.678 ( -5.967 -3.185 -3.339) 7.543 8.331 ( 3.481 -0.401 0.007) 3.504 8.475 ( 2.756 -5.642 0.136) 6.280 8.959 ( -0.984 -0.354 -1.072) 1.498 9.058 ( -1.417 -4.480 0.252) 4.706 9.367 ( 0.490 0.515 -0.565) 0.908 9.500 ( 0.475 -5.380 0.357) 5.413 9.702 ( 3.488 0.938 0.326) 3.627 9.783 ( -4.166 -2.218 0.860) 4.797 10.239 ( 5.319 0.241 2.863) 6.045 10.312 ( 3.835 -1.984 1.069) 4.448 10.409 ( 1.382 0.529 0.079) 1.482 10.553 ( -6.280 -5.863 -3.870) 9.423 10.888 ( -4.702 0.391 -0.627) 4.760 10.986 ( -5.180 -4.305 0.591) 6.761 11.539 ( 0.677 2.583 0.134) 2.674 11.619 ( -0.154 -0.721 -0.571) 0.932 12.667 ( 2.536 2.603 0.370) 3.653 12.737 ( 2.936 -0.361 0.378) 2.982 12.961 ( 1.183 2.119 -0.380) 2.457 13.092 ( 2.223 -3.712 -0.147) 4.329 13.721 ( -0.420 -2.591 -0.101) 2.627 13.729 ( -1.387 -3.214 0.737) 3.578 13.996 ( 6.315 2.858 -3.265) 7.662 14.082 ( 2.267 -1.144 1.130) 2.779 14.221 ( -0.991 1.355 1.179) 2.051 14.285 ( -3.689 -0.984 2.608) 4.624 14.896 ( -3.919 3.727 -1.045) 5.508 15.085 ( -1.840 -3.299 -0.017) 3.777 15.595 ( 1.597 0.533 -0.251) 1.702 15.621 ( -0.552 0.262 0.044) 0.613 15.819 ( 1.795 -0.436 0.687) 1.970 15.914 ( -4.729 -6.036 -0.346) 7.675 16.298 ( 5.502 1.322 -0.225) 5.663 16.378 ( 6.093 -2.685 0.088) 6.659 16.953 ( -2.932 0.536 -0.633) 3.047 16.977 ( -2.997 -0.879 -0.313) 3.139 19.423 ( 2.208 2.054 0.647) 3.085 19.445 ( 0.034 1.139 -1.003) 1.518 20.903 ( -0.186 0.122 -0.473) 0.522 20.924 ( -1.784 -0.820 0.852) 2.140 21.785 ( 5.802 4.357 0.417) 7.268 21.894 ( 1.318 -0.954 0.275) 1.650 22.828 ( 0.296 2.770 0.614) 2.853 22.902 ( -5.422 -0.663 -0.695) 5.507 27.239 ( 14.116 0.595 3.345) 14.519 27.279 ( 11.742 -1.240 -4.688) 12.704 28.421 ( -14.676 2.133 0.003) 14.830 28.510 ( -14.024 -1.735 1.465) 14.207 31.088 ( 3.952 -0.491 -0.196) 3.988 31.120 ( 1.962 -1.974 0.204) 2.790 31.477 ( 5.708 1.147 0.001) 5.822 31.551 ( 2.060 -2.020 -0.386) 2.911 31.692 ( 3.379 0.485 1.453) 3.710 31.784 ( -0.354 -3.759 -1.425) 4.036 32.007 ( -4.397 3.026 0.477) 5.359 32.135 ( -4.464 -3.613 -0.043) 5.743 33.337 ( 6.249 -0.263 -0.427) 6.269 33.371 ( 6.327 -1.733 0.875) 6.618 33.715 ( -5.983 -0.143 -0.333) 5.994 33.727 ( -4.942 -0.538 -0.076) 4.971 35.392 ( -0.081 7.212 0.475) 7.228 35.666 ( 0.616 -4.843 -1.247) 5.039 35.867 ( 3.840 9.805 3.240) 11.017 36.028 ( -2.060 4.728 -1.388) 5.341 36.343 ( -0.347 3.496 -0.203) 3.519 36.534 ( 2.503 -5.557 0.327) 6.103 37.698 ( -4.696 -0.701 -1.883) 5.108 37.886 ( -3.256 -8.009 1.267) 8.738 ======================= Grid point 171 (85/88) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 -3.020 0.000) 3.020 1.545 ( -0.000 3.020 0.000) 3.020 2.249 ( 0.000 -1.638 0.000) 1.638 2.249 ( -0.000 1.638 0.000) 1.638 2.570 ( -0.000 -2.323 0.000) 2.323 2.570 ( 0.000 2.323 0.000) 2.323 2.701 ( -0.000 -5.657 0.000) 5.657 2.701 ( 0.000 5.657 0.000) 5.657 2.837 ( 0.000 -2.090 0.000) 2.090 2.837 ( -0.000 2.090 0.000) 2.090 3.064 ( -0.000 -7.328 -0.000) 7.328 3.064 ( 0.000 7.328 0.000) 7.328 3.634 ( -0.000 -11.126 0.000) 11.126 3.634 ( -0.000 11.126 0.000) 11.126 3.900 ( -0.000 -6.056 0.000) 6.056 3.900 ( 0.000 6.056 0.000) 6.056 4.219 ( -0.000 -5.557 0.000) 5.557 4.219 ( 0.000 5.557 0.000) 5.557 4.583 ( -0.000 -0.246 0.000) 0.246 4.583 ( -0.000 0.246 0.000) 0.246 4.861 ( 0.000 -2.897 0.000) 2.897 4.861 ( -0.000 2.897 0.000) 2.897 5.080 ( -0.000 -13.890 0.000) 13.890 5.080 ( -0.000 13.890 0.000) 13.890 5.312 ( -0.000 -6.819 0.000) 6.819 5.312 ( 0.000 6.819 0.000) 6.819 5.700 ( 0.000 -2.735 0.000) 2.735 5.700 ( 0.000 2.735 0.000) 2.735 6.042 ( -0.000 -9.368 0.000) 9.368 6.042 ( -0.000 9.368 0.000) 9.368 6.313 ( -0.000 -1.638 0.000) 1.638 6.313 ( 0.000 1.638 0.000) 1.638 6.481 ( -0.000 -2.006 0.000) 2.006 6.481 ( 0.000 2.006 0.000) 2.006 6.972 ( 0.000 -1.212 0.000) 1.212 6.972 ( 0.000 1.212 0.000) 1.212 7.428 ( -0.000 -2.576 0.000) 2.576 7.428 ( -0.000 2.576 0.000) 2.576 7.900 ( 0.000 -4.359 0.000) 4.359 7.900 ( -0.000 4.359 0.000) 4.359 8.246 ( 0.000 -0.666 0.000) 0.666 8.246 ( 0.000 0.666 0.000) 0.666 9.006 ( 0.000 -6.745 0.000) 6.745 9.006 ( 0.000 6.745 0.000) 6.745 9.413 ( 0.000 -1.959 0.000) 1.959 9.413 ( -0.000 1.959 0.000) 1.959 9.679 ( -0.000 -4.093 0.000) 4.093 9.679 ( -0.000 4.093 0.000) 4.093 10.071 ( 0.000 -4.775 0.000) 4.775 10.071 ( -0.000 4.775 0.000) 4.775 10.546 ( -0.000 -2.272 0.000) 2.272 10.546 ( 0.000 2.272 0.000) 2.272 11.355 ( 0.000 -0.601 0.000) 0.601 11.355 ( -0.000 0.601 0.000) 0.601 11.651 ( 0.000 -2.715 0.000) 2.715 11.651 ( 0.000 2.715 0.000) 2.715 12.262 ( -0.000 -1.381 0.000) 1.381 12.262 ( -0.000 1.381 0.000) 1.381 12.960 ( -0.000 -0.637 0.000) 0.637 12.960 ( -0.000 0.637 0.000) 0.637 13.504 ( -0.000 -1.376 0.000) 1.376 13.504 ( 0.000 1.376 0.000) 1.376 13.985 ( -0.000 -0.564 0.000) 0.564 13.985 ( 0.000 0.564 0.000) 0.564 14.348 ( 0.000 -1.813 0.000) 1.813 14.348 ( 0.000 1.813 0.000) 1.813 15.363 ( -0.000 -0.252 0.000) 0.252 15.363 ( 0.000 0.252 0.000) 0.252 15.450 ( 0.000 -2.889 0.000) 2.889 15.450 ( -0.000 2.889 0.000) 2.889 15.795 ( 0.000 -2.667 0.000) 2.667 15.795 ( 0.000 2.667 0.000) 2.667 16.052 ( -0.000 -4.691 0.000) 4.691 16.052 ( 0.000 4.691 0.000) 4.691 17.147 ( 0.000 -0.800 0.000) 0.800 17.147 ( 0.000 0.800 0.000) 0.800 19.333 ( -0.000 -2.013 0.000) 2.013 19.333 ( 0.000 2.013 0.000) 2.013 21.045 ( 0.000 -1.258 0.000) 1.258 21.045 ( -0.000 1.258 0.000) 1.258 21.499 ( -0.000 -4.545 0.000) 4.545 21.499 ( 0.000 4.545 0.000) 4.545 23.126 ( 0.000 -3.436 0.000) 3.436 23.126 ( 0.000 3.436 0.000) 3.436 26.400 ( 0.000 -0.194 0.000) 0.194 26.400 ( 0.000 0.194 0.000) 0.194 29.578 ( 0.000 -0.358 0.000) 0.358 29.578 ( -0.000 0.358 0.000) 0.358 30.618 ( 0.000 -2.728 0.000) 2.728 30.618 ( -0.000 2.728 0.000) 2.728 31.205 ( 0.000 -2.211 0.000) 2.211 31.205 ( 0.000 2.211 0.000) 2.211 31.607 ( -0.000 -0.304 0.000) 0.304 31.607 ( -0.000 0.304 0.000) 0.304 32.566 ( 0.000 -0.045 0.000) 0.045 32.566 ( -0.000 0.045 0.000) 0.045 32.806 ( -0.000 -1.266 0.000) 1.266 32.806 ( 0.000 1.266 0.000) 1.266 34.018 ( -0.000 -1.000 0.000) 1.000 34.018 ( -0.000 1.000 0.000) 1.000 35.553 ( 0.000 -2.144 0.000) 2.144 35.553 ( 0.000 2.144 0.000) 2.144 35.815 ( 0.000 -2.619 0.000) 2.619 35.815 ( -0.000 2.619 0.000) 2.619 36.431 ( 0.000 -1.948 0.000) 1.948 36.431 ( 0.000 1.948 0.000) 1.948 38.116 ( 0.000 -2.639 0.000) 2.639 38.116 ( 0.000 2.639 0.000) 2.639 ======================= Grid point 175 (86/88) ======================= q-point: ( 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.983 -4.277 -1.105) 4.525 1.537 ( -0.983 4.277 -1.105) 4.525 2.228 ( -3.651 -7.772 4.136) 9.531 2.228 ( -3.651 7.772 4.136) 9.531 2.433 ( -7.149 -7.552 -5.800) 11.907 2.433 ( -7.149 7.552 -5.800) 11.907 2.690 ( 2.574 -4.545 -2.289) 5.702 2.690 ( 2.574 4.545 -2.289) 5.702 2.956 ( 8.163 -4.640 4.295) 10.325 2.956 ( 8.163 4.640 4.295) 10.325 3.237 ( 10.722 -4.806 -0.917) 11.786 3.237 ( 10.722 4.806 -0.917) 11.786 3.703 ( 6.500 -9.125 7.700) 13.594 3.703 ( 6.500 9.125 7.700) 13.594 3.940 ( 3.304 -7.857 -1.934) 8.740 3.940 ( 3.304 7.857 -1.934) 8.740 4.161 ( -3.678 -5.839 -4.177) 8.067 4.161 ( -3.678 5.839 -4.177) 8.067 4.541 ( -3.505 -2.935 0.377) 4.587 4.541 ( -3.505 2.935 0.377) 4.587 4.806 ( -4.781 -3.828 5.215) 8.044 4.806 ( -4.781 3.828 5.215) 8.044 5.030 ( -3.981 -9.583 -2.801) 10.748 5.030 ( -3.981 9.583 -2.801) 10.748 5.360 ( 2.921 -7.541 -4.209) 9.117 5.360 ( 2.921 7.541 -4.209) 9.117 5.675 ( -1.445 -2.312 -3.728) 4.618 5.675 ( -1.445 2.312 -3.728) 4.618 6.005 ( -3.660 -12.541 1.875) 13.198 6.005 ( -3.660 12.541 1.875) 13.198 6.304 ( -0.966 -4.867 3.737) 6.212 6.304 ( -0.966 4.867 3.737) 6.212 6.481 ( -0.678 -3.360 -1.505) 3.744 6.481 ( -0.678 3.360 -1.505) 3.744 6.987 ( 1.713 -3.860 0.242) 4.230 6.987 ( 1.713 3.860 0.242) 4.230 7.387 ( -3.267 -2.466 0.504) 4.124 7.387 ( -3.267 2.466 0.504) 4.124 7.935 ( 0.235 -4.649 0.190) 4.659 7.935 ( 0.235 4.649 0.190) 4.659 8.196 ( -2.099 -3.227 -0.829) 3.938 8.196 ( -2.099 3.227 -0.829) 3.938 9.014 ( 0.532 -6.052 -0.835) 6.132 9.014 ( 0.532 6.052 -0.835) 6.132 9.403 ( -0.829 -3.520 -0.072) 3.617 9.403 ( -0.829 3.520 -0.072) 3.617 9.699 ( 1.807 -4.799 1.434) 5.324 9.699 ( 1.807 4.799 1.434) 5.324 10.083 ( 1.229 -3.984 0.873) 4.260 10.083 ( 1.229 3.984 0.873) 4.260 10.543 ( -0.356 -2.646 -0.702) 2.760 10.543 ( -0.356 2.646 -0.702) 2.760 11.272 ( -7.779 -1.064 -0.102) 7.852 11.272 ( -7.779 1.064 -0.102) 7.852 11.616 ( -2.580 -3.115 -0.425) 4.067 11.616 ( -2.580 3.115 -0.425) 4.067 12.382 ( 10.339 -1.023 0.510) 10.402 12.382 ( 10.339 1.023 0.510) 10.402 12.955 ( 0.043 -1.186 -0.342) 1.235 12.955 ( 0.043 1.186 -0.342) 1.235 13.586 ( 7.105 -1.805 -1.082) 7.410 13.586 ( 7.105 1.805 -1.082) 7.410 13.946 ( -3.208 -1.749 0.585) 3.700 13.946 ( -3.208 1.749 0.585) 3.700 14.359 ( 0.274 -1.490 2.551) 2.967 14.359 ( 0.274 1.490 2.551) 2.967 15.220 ( -7.785 -1.554 -0.998) 8.001 15.220 ( -7.785 1.554 -0.998) 8.001 15.588 ( 5.122 -3.255 -0.441) 6.085 15.588 ( 5.122 3.255 -0.441) 6.085 15.798 ( 2.218 -1.600 2.207) 3.514 15.798 ( 2.218 1.600 2.207) 3.514 16.065 ( 1.824 -4.416 -2.441) 5.365 16.065 ( 1.824 4.416 -2.441) 5.365 17.120 ( -2.689 -0.805 -0.605) 2.871 17.120 ( -2.689 0.805 -0.605) 2.871 19.359 ( 2.366 -2.076 -0.689) 3.223 19.359 ( 2.366 2.076 -0.689) 3.223 21.008 ( -3.098 -1.263 0.822) 3.445 21.008 ( -3.098 1.263 0.822) 3.445 21.574 ( 6.899 -4.863 0.590) 8.461 21.574 ( 6.899 4.863 0.590) 8.461 23.077 ( -4.620 -3.825 0.004) 5.998 23.077 ( -4.620 3.825 0.004) 5.998 26.545 ( 13.896 -1.208 -0.409) 13.954 26.545 ( 13.896 1.208 -0.409) 13.954 29.343 ( -20.639 -1.587 1.072) 20.728 29.343 ( -20.639 1.587 1.072) 20.728 30.761 ( 11.409 -2.554 -0.628) 11.708 30.761 ( 11.409 2.554 -0.628) 11.708 31.255 ( 4.892 -2.486 0.134) 5.489 31.255 ( 4.892 2.486 0.134) 5.489 31.630 ( 2.203 -2.297 0.052) 3.183 31.630 ( 2.203 2.297 0.052) 3.183 32.417 ( -10.590 -1.787 0.046) 10.740 32.417 ( -10.590 1.787 0.046) 10.740 32.957 ( 10.753 -1.266 0.245) 10.830 32.957 ( 10.753 1.266 0.245) 10.830 33.974 ( -4.413 -0.909 -0.139) 4.508 33.974 ( -4.413 0.909 -0.139) 4.508 35.549 ( -0.326 -5.106 0.510) 5.142 35.549 ( -0.326 5.106 0.510) 5.142 35.857 ( 3.945 -6.724 1.370) 7.916 35.857 ( 3.945 6.724 1.370) 7.916 36.429 ( -0.106 -1.966 -1.576) 2.522 36.429 ( -0.106 1.966 -1.576) 2.522 38.042 ( -6.960 -3.075 0.126) 7.610 38.042 ( -6.960 3.075 0.126) 7.610 ======================= Grid point 177 (87/88) ======================= q-point: ( 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -1.310 -3.532 -2.491) 4.516 1.509 ( -1.310 3.532 -2.491) 4.516 2.107 ( -5.363 -8.426 0.736) 10.015 2.107 ( -5.363 8.426 0.736) 10.015 2.448 ( 5.591 -3.121 -0.100) 6.404 2.448 ( 5.591 3.121 -0.100) 6.404 2.714 ( -0.025 -8.201 -4.835) 9.520 2.714 ( -0.025 8.201 -4.835) 9.520 3.155 ( 10.494 -3.941 -1.238) 11.278 3.155 ( 10.494 3.941 -1.238) 11.278 3.320 ( -1.851 -5.480 7.010) 9.088 3.320 ( -1.851 5.480 7.010) 9.088 3.805 ( 0.354 -5.478 1.344) 5.651 3.805 ( 0.354 5.478 1.344) 5.651 4.036 ( 7.194 -3.318 1.606) 8.083 4.036 ( 7.194 3.318 1.606) 8.083 4.140 ( 0.790 -3.015 -1.370) 3.405 4.140 ( 0.790 3.015 -1.370) 3.405 4.486 ( -1.712 -2.323 1.425) 3.218 4.486 ( -1.712 2.323 1.425) 3.218 4.741 ( 0.253 -6.505 3.897) 7.588 4.741 ( 0.253 6.505 3.897) 7.588 4.950 ( -3.570 -3.901 -4.233) 6.774 4.950 ( -3.570 3.901 -4.233) 6.774 5.356 ( -2.648 -9.369 -3.137) 10.229 5.356 ( -2.648 9.369 -3.137) 10.229 5.672 ( 0.045 -3.136 -2.828) 4.223 5.672 ( 0.045 3.136 -2.828) 4.223 5.937 ( -1.331 -12.138 0.535) 12.222 5.937 ( -1.331 12.138 0.535) 12.222 6.275 ( -2.475 -2.308 3.060) 4.562 6.275 ( -2.475 2.308 3.060) 4.562 6.437 ( -3.135 -2.968 -3.641) 5.648 6.437 ( -3.135 2.968 -3.641) 5.648 7.023 ( 0.823 -4.696 1.854) 5.115 7.023 ( 0.823 4.696 1.854) 5.115 7.345 ( 0.027 -1.543 1.583) 2.211 7.345 ( 0.027 1.543 1.583) 2.211 7.809 ( -10.631 -2.045 -1.481) 10.926 7.809 ( -10.631 2.045 -1.481) 10.926 8.261 ( 6.584 -3.896 -0.045) 7.650 8.261 ( 6.584 3.896 -0.045) 7.650 9.011 ( -1.053 -4.341 -1.086) 4.597 9.011 ( -1.053 4.341 -1.086) 4.597 9.393 ( 0.167 -4.035 0.125) 4.040 9.393 ( 0.167 4.035 0.125) 4.040 9.732 ( 0.995 -5.154 1.652) 5.503 9.732 ( 0.995 5.154 1.652) 5.503 10.135 ( 4.595 -2.156 1.924) 5.428 10.135 ( 4.595 2.156 1.924) 5.428 10.524 ( -1.898 -3.635 -1.915) 4.526 10.524 ( -1.898 3.635 -1.915) 4.526 11.083 ( -10.346 -1.794 0.072) 10.501 11.083 ( -10.346 1.794 0.072) 10.501 11.584 ( -0.407 -2.847 -0.632) 2.945 11.584 ( -0.407 2.847 -0.632) 2.945 12.591 ( 9.357 -1.369 0.799) 9.490 12.591 ( 9.357 1.369 0.799) 9.490 12.974 ( 1.925 -2.434 -0.590) 3.159 12.974 ( 1.925 2.434 -0.590) 3.159 13.703 ( 2.372 -1.033 0.055) 2.588 13.703 ( 2.372 1.033 0.055) 2.588 13.925 ( 3.419 -1.798 -1.329) 4.085 13.925 ( 3.419 1.798 -1.329) 4.085 14.333 ( -3.254 -1.349 4.025) 5.349 14.333 ( -3.254 1.349 4.025) 5.349 15.087 ( -5.821 -3.278 -1.090) 6.769 15.087 ( -5.821 3.278 -1.090) 6.769 15.604 ( -0.668 -2.257 -1.078) 2.588 15.604 ( -0.668 2.257 -1.078) 2.588 15.860 ( 0.703 -3.753 2.094) 4.355 15.860 ( 0.703 3.753 2.094) 4.355 16.164 ( 8.771 -1.660 -1.822) 9.111 16.164 ( 8.771 1.660 -1.822) 9.111 17.046 ( -4.518 -0.729 -0.840) 4.653 17.046 ( -4.518 0.729 -0.840) 4.653 19.412 ( 2.686 -1.653 -0.680) 3.226 19.412 ( 2.686 1.653 -0.680) 3.226 20.947 ( -2.752 -1.095 0.748) 3.055 20.947 ( -2.752 1.095 0.748) 3.055 21.732 ( 8.139 -4.623 0.801) 9.394 21.732 ( 8.139 4.623 0.801) 9.394 22.968 ( -5.811 -3.826 -0.048) 6.957 22.968 ( -5.811 3.826 -0.048) 6.957 26.896 ( 20.233 -1.680 -0.696) 20.314 26.896 ( 20.233 1.680 -0.696) 20.314 28.880 ( -24.448 -2.011 1.204) 24.560 28.880 ( -24.448 2.011 1.204) 24.560 30.971 ( 8.869 -1.900 -0.232) 9.073 30.971 ( 8.869 1.900 -0.232) 9.073 31.381 ( 7.307 -2.929 -0.251) 7.876 31.381 ( 7.307 2.929 -0.251) 7.876 31.684 ( 2.778 -3.312 0.164) 4.326 31.684 ( 2.778 3.312 0.164) 4.326 32.214 ( -9.504 -2.791 0.227) 9.908 32.214 ( -9.504 2.791 0.227) 9.908 33.168 ( 10.317 -1.093 0.342) 10.380 33.168 ( 10.317 1.093 0.342) 10.380 33.855 ( -7.204 -0.576 -0.232) 7.231 33.855 ( -7.204 0.576 -0.232) 7.231 35.544 ( -0.226 -6.800 0.421) 6.816 35.544 ( -0.226 6.800 0.421) 6.816 35.953 ( 5.018 -8.045 2.526) 9.812 35.953 ( 5.018 8.045 2.526) 9.812 36.426 ( -0.091 -2.760 -2.675) 3.845 36.426 ( -0.091 2.760 -2.675) 3.845 37.877 ( -8.711 -4.070 0.182) 9.617 37.877 ( -8.711 4.070 0.182) 9.617 ======================= Grid point 179 (88/88) ======================= q-point: ( 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.264 -1.341 -1.283) 1.875 1.493 ( -0.264 1.341 -1.283) 1.875 2.061 ( -0.101 -3.667 0.126) 3.670 2.061 ( -0.101 3.667 0.126) 3.670 2.538 ( 1.927 -4.150 0.737) 4.635 2.538 ( 1.927 4.150 0.737) 4.635 2.710 ( 0.391 -8.097 -4.202) 9.131 2.710 ( 0.391 8.097 -4.202) 9.131 3.241 ( -1.690 -1.363 3.775) 4.355 3.241 ( -1.690 1.363 3.775) 4.355 3.347 ( 5.112 -4.805 -0.216) 7.019 3.347 ( 5.112 4.805 -0.216) 7.019 3.768 ( -2.158 -4.434 -1.569) 5.174 3.768 ( -2.158 4.434 -1.569) 5.174 4.014 ( -4.753 -4.950 3.787) 7.838 4.014 ( -4.753 4.950 3.787) 7.838 4.274 ( 7.607 -4.805 1.434) 9.111 4.274 ( 7.607 4.805 1.434) 9.111 4.461 ( -0.995 -8.525 -3.324) 9.205 4.461 ( -0.995 8.525 -3.324) 9.205 4.778 ( -0.214 -5.647 2.085) 6.023 4.778 ( -0.214 5.647 2.085) 6.023 4.919 ( 0.959 -0.706 -0.180) 1.205 4.919 ( 0.959 0.706 -0.181) 1.205 5.336 ( 1.793 -9.565 -1.244) 9.811 5.336 ( 1.793 9.565 -1.244) 9.811 5.610 ( -4.770 -2.534 -0.723) 5.450 5.610 ( -4.770 2.534 -0.723) 5.450 5.996 ( 5.640 -8.712 0.680) 10.400 5.996 ( 5.640 8.712 0.680) 10.400 6.189 ( -5.823 -1.181 -1.898) 6.237 6.189 ( -5.823 1.181 -1.898) 6.237 6.396 ( -0.594 -3.033 -0.554) 3.140 6.396 ( -0.594 3.033 -0.554) 3.140 7.010 ( -1.230 -2.351 0.650) 2.732 7.010 ( -1.230 2.351 0.650) 2.732 7.395 ( 3.842 -4.187 2.440) 6.184 7.395 ( 3.842 4.187 2.440) 6.184 7.611 ( -7.696 -2.919 -1.891) 8.446 7.611 ( -7.696 2.919 -1.891) 8.446 8.370 ( 3.326 -4.240 0.006) 5.388 8.370 ( 3.326 4.240 0.006) 5.388 8.980 ( -1.345 -2.609 -0.520) 2.981 8.980 ( -1.345 2.609 -0.520) 2.981 9.407 ( 0.729 -3.388 0.132) 3.469 9.407 ( 0.729 3.388 0.132) 3.469 9.736 ( -0.253 -2.304 0.658) 2.409 9.736 ( -0.253 2.304 0.658) 2.409 10.263 ( 7.072 -2.150 2.673) 7.860 10.263 ( 7.072 2.150 2.673) 7.860 10.455 ( -4.783 -3.766 -2.790) 6.697 10.455 ( -4.783 3.766 -2.790) 6.697 10.916 ( -5.172 -2.474 0.120) 5.734 10.916 ( -5.172 2.474 0.120) 5.734 11.589 ( 0.471 -2.174 -0.234) 2.237 11.589 ( 0.471 2.174 -0.234) 2.237 12.714 ( 2.929 -1.864 0.388) 3.493 12.714 ( 2.929 1.864 0.388) 3.493 13.018 ( 1.814 -3.416 -0.254) 3.876 13.018 ( 1.814 3.416 -0.254) 3.876 13.694 ( -1.213 -0.158 0.367) 1.277 13.694 ( -1.213 0.158 0.367) 1.277 14.047 ( 5.886 -2.235 -2.313) 6.708 14.047 ( 5.886 2.235 -2.313) 6.708 14.255 ( -3.807 -1.891 3.230) 5.339 14.255 ( -3.807 1.891 3.230) 5.339 14.994 ( -3.003 -5.365 -0.616) 6.179 14.994 ( -3.003 5.365 -0.616) 6.179 15.610 ( 0.958 -0.964 -0.271) 1.386 15.610 ( 0.958 0.964 -0.271) 1.386 15.833 ( -1.888 -2.183 0.283) 2.900 15.833 ( -1.888 2.183 0.283) 2.900 16.330 ( 5.729 -2.007 -0.157) 6.072 16.330 ( 5.729 2.007 -0.157) 6.072 16.964 ( -2.947 -0.572 -0.467) 3.038 16.964 ( -2.947 0.572 -0.467) 3.038 19.451 ( 1.124 -0.624 -0.242) 1.308 19.451 ( 1.124 0.624 -0.242) 1.308 20.910 ( -1.008 -0.542 0.258) 1.173 20.910 ( -1.008 0.542 0.258) 1.173 21.858 ( 3.733 -2.772 0.363) 4.663 21.858 ( 3.733 2.772 0.363) 4.663 22.877 ( -2.764 -1.898 -0.040) 3.353 22.877 ( -2.764 1.898 -0.040) 3.353 27.255 ( 12.996 -1.048 -0.514) 13.049 27.255 ( 12.996 1.048 -0.514) 13.049 28.467 ( -14.304 -2.372 0.686) 14.516 28.467 ( -14.304 2.372 0.686) 14.516 31.090 ( 3.076 -0.799 0.032) 3.178 31.090 ( 3.076 0.799 0.032) 3.178 31.509 ( 4.621 -2.006 -0.304) 5.047 31.509 ( 4.621 2.006 -0.304) 5.047 31.719 ( 0.564 -2.387 0.074) 2.454 31.719 ( 0.564 2.387 0.074) 2.454 32.070 ( -4.336 -3.105 0.223) 5.337 32.070 ( -4.336 3.105 0.223) 5.337 33.343 ( 6.311 -0.924 0.256) 6.384 33.343 ( 6.311 0.924 0.256) 6.384 33.717 ( -5.516 -0.345 -0.201) 5.530 33.717 ( -5.516 0.345 -0.201) 5.530 35.541 ( -0.066 -7.207 0.136) 7.209 35.541 ( -0.066 7.207 0.136) 7.209 36.032 ( 2.340 -5.018 1.529) 5.744 36.032 ( 2.340 5.018 1.529) 5.744 36.424 ( -0.008 -4.976 -1.593) 5.225 36.424 ( -0.008 4.976 -1.593) 5.225 37.744 ( -3.954 -5.256 0.103) 6.578 37.744 ( -3.954 5.256 0.103) 6.578 =================== 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 3/27216 10.0 22.692 15.290 19.073 0.000 -0.402 0.000 3/27216 20.0 4.146 3.250 3.830 0.000 -0.073 0.000 3/27216 30.0 1.974 1.628 1.869 0.000 -0.056 0.000 3/27216 40.0 1.292 1.096 1.224 0.000 -0.040 0.000 3/27216 50.0 0.980 0.849 0.919 0.000 -0.031 0.000 3/27216 60.0 0.806 0.709 0.746 0.000 -0.025 0.000 3/27216 70.0 0.697 0.617 0.634 0.000 -0.021 0.000 3/27216 80.0 0.624 0.552 0.555 0.000 -0.018 0.000 3/27216 90.0 0.572 0.502 0.497 0.000 -0.015 0.000 3/27216 100.0 0.533 0.463 0.451 0.000 -0.013 0.000 3/27216 110.0 0.504 0.431 0.415 0.000 -0.012 0.000 3/27216 120.0 0.481 0.404 0.385 0.000 -0.010 0.000 3/27216 130.0 0.463 0.380 0.360 0.000 -0.009 0.000 3/27216 140.0 0.448 0.360 0.338 0.000 -0.007 0.000 3/27216 150.0 0.435 0.343 0.320 0.000 -0.006 0.000 3/27216 160.0 0.425 0.327 0.304 0.000 -0.005 0.000 3/27216 170.0 0.416 0.313 0.290 0.000 -0.004 0.000 3/27216 180.0 0.409 0.301 0.277 0.000 -0.004 0.000 3/27216 190.0 0.403 0.289 0.266 0.000 -0.003 0.000 3/27216 200.0 0.398 0.279 0.256 0.000 -0.002 0.000 3/27216 210.0 0.394 0.270 0.246 0.000 -0.002 0.000 3/27216 220.0 0.390 0.261 0.238 0.000 -0.001 0.000 3/27216 230.0 0.387 0.253 0.230 0.000 -0.001 0.000 3/27216 240.0 0.384 0.246 0.223 0.000 -0.001 0.000 3/27216 250.0 0.382 0.239 0.217 0.000 -0.000 0.000 3/27216 260.0 0.380 0.233 0.210 0.000 -0.000 0.000 3/27216 270.0 0.378 0.227 0.205 0.000 0.000 0.000 3/27216 280.0 0.376 0.222 0.200 0.000 0.000 0.000 3/27216 290.0 0.374 0.217 0.195 0.000 0.001 0.000 3/27216 300.0 0.373 0.212 0.190 0.000 0.001 0.000 3/27216 310.0 0.371 0.208 0.186 0.000 0.001 0.000 3/27216 320.0 0.369 0.203 0.181 0.000 0.001 0.000 3/27216 330.0 0.368 0.200 0.178 0.000 0.001 0.000 3/27216 340.0 0.366 0.196 0.174 0.000 0.001 0.000 3/27216 350.0 0.364 0.192 0.170 0.000 0.001 0.000 3/27216 360.0 0.362 0.189 0.167 0.000 0.001 0.000 3/27216 370.0 0.361 0.186 0.164 0.000 0.001 0.000 3/27216 380.0 0.359 0.182 0.161 0.000 0.001 0.000 3/27216 390.0 0.357 0.180 0.158 0.000 0.001 0.000 3/27216 400.0 0.355 0.177 0.155 0.000 0.001 0.000 3/27216 410.0 0.352 0.174 0.152 0.000 0.001 0.000 3/27216 420.0 0.350 0.171 0.150 0.000 0.001 0.000 3/27216 430.0 0.348 0.169 0.147 0.000 0.001 0.000 3/27216 440.0 0.346 0.166 0.145 0.000 0.001 0.000 3/27216 450.0 0.343 0.164 0.142 0.000 0.001 0.000 3/27216 460.0 0.341 0.162 0.140 0.000 0.001 0.000 3/27216 470.0 0.338 0.159 0.138 0.000 0.001 0.000 3/27216 480.0 0.336 0.157 0.136 0.000 0.002 0.000 3/27216 490.0 0.333 0.155 0.134 0.000 0.002 0.000 3/27216 500.0 0.331 0.153 0.132 0.000 0.002 0.000 3/27216 510.0 0.328 0.151 0.130 0.000 0.002 0.000 3/27216 520.0 0.326 0.149 0.128 0.000 0.002 0.000 3/27216 530.0 0.323 0.147 0.126 0.000 0.002 0.000 3/27216 540.0 0.320 0.145 0.124 0.000 0.002 0.000 3/27216 550.0 0.318 0.143 0.123 0.000 0.001 0.000 3/27216 560.0 0.315 0.142 0.121 0.000 0.001 0.000 3/27216 570.0 0.313 0.140 0.119 0.000 0.001 0.000 3/27216 580.0 0.310 0.138 0.118 0.000 0.001 0.000 3/27216 590.0 0.307 0.137 0.116 0.000 0.001 0.000 3/27216 600.0 0.305 0.135 0.115 0.000 0.001 0.000 3/27216 610.0 0.302 0.133 0.113 0.000 0.001 0.000 3/27216 620.0 0.299 0.132 0.112 0.000 0.001 0.000 3/27216 630.0 0.297 0.130 0.110 0.000 0.001 0.000 3/27216 640.0 0.294 0.129 0.109 0.000 0.001 0.000 3/27216 650.0 0.292 0.127 0.108 0.000 0.001 0.000 3/27216 660.0 0.289 0.126 0.106 0.000 0.001 0.000 3/27216 670.0 0.287 0.125 0.105 0.000 0.001 0.000 3/27216 680.0 0.284 0.123 0.104 0.000 0.001 0.000 3/27216 690.0 0.282 0.122 0.103 0.000 0.001 0.000 3/27216 700.0 0.279 0.121 0.101 0.000 0.001 0.000 3/27216 710.0 0.277 0.119 0.100 0.000 0.001 0.000 3/27216 720.0 0.274 0.118 0.099 0.000 0.001 0.000 3/27216 730.0 0.272 0.117 0.098 0.000 0.001 0.000 3/27216 740.0 0.270 0.115 0.097 0.000 0.001 0.000 3/27216 750.0 0.267 0.114 0.096 0.000 0.001 0.000 3/27216 760.0 0.265 0.113 0.095 0.000 0.001 0.000 3/27216 770.0 0.263 0.112 0.094 0.000 0.001 0.000 3/27216 780.0 0.260 0.111 0.093 0.000 0.001 0.000 3/27216 790.0 0.258 0.110 0.092 0.000 0.001 0.000 3/27216 800.0 0.256 0.109 0.091 0.000 0.001 0.000 3/27216 810.0 0.254 0.108 0.090 0.000 0.001 0.000 3/27216 820.0 0.252 0.107 0.089 0.000 0.001 0.000 3/27216 830.0 0.249 0.105 0.088 0.000 0.001 0.000 3/27216 840.0 0.247 0.104 0.087 0.000 0.001 0.000 3/27216 850.0 0.245 0.103 0.086 0.000 0.001 0.000 3/27216 860.0 0.243 0.102 0.085 0.000 0.001 0.000 3/27216 870.0 0.241 0.102 0.084 0.000 0.001 0.000 3/27216 880.0 0.239 0.101 0.084 0.000 0.001 0.000 3/27216 890.0 0.237 0.100 0.083 0.000 0.001 0.000 3/27216 900.0 0.235 0.099 0.082 0.000 0.001 0.000 3/27216 910.0 0.233 0.098 0.081 0.000 0.001 0.000 3/27216 920.0 0.231 0.097 0.080 0.000 0.001 0.000 3/27216 930.0 0.230 0.096 0.080 0.000 0.001 0.000 3/27216 940.0 0.228 0.095 0.079 0.000 0.001 0.000 3/27216 950.0 0.226 0.094 0.078 0.000 0.001 0.000 3/27216 960.0 0.224 0.094 0.078 0.000 0.001 0.000 3/27216 970.0 0.222 0.093 0.077 0.000 0.001 0.000 3/27216 980.0 0.221 0.092 0.076 0.000 0.001 0.000 3/27216 990.0 0.219 0.091 0.075 0.000 0.001 0.000 3/27216 1000.0 0.217 0.090 0.075 0.000 0.001 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m766.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:07:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|