----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.869912140110054 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -3.023291382463515 0.000000000000000 7.224658528765845 Atomic positions (fractional): *1 P 0.94151008390784 0.30947848412292 0.31489974211405 30.974 2 P 0.05848991609216 0.80947848412292 0.18510025788595 30.974 3 P 0.05848991609216 0.69052151587708 0.68510025788595 30.974 4 P 0.94151008390784 0.19052151587708 0.81489974211405 30.974 *5 P 0.97057984368244 0.07189028747466 0.28387773943297 30.974 6 P 0.02942015631756 0.57189028747466 0.21612226056703 30.974 7 P 0.02942015631756 0.92810971252534 0.71612226056703 30.974 8 P 0.97057984368244 0.42810971252534 0.78387773943297 30.974 *9 P 0.43275163892274 0.18000583225117 0.30229093103822 30.974 10 P 0.56724836107726 0.68000583225117 0.19770906896178 30.974 11 P 0.56724836107726 0.81999416774883 0.69770906896178 30.974 12 P 0.43275163892274 0.31999416774883 0.80229093103822 30.974 *13 P 0.52595917823625 0.94247483971408 0.21182689348313 30.974 14 P 0.52595917823625 0.55752516028592 0.71182689348313 30.974 15 P 0.47404082176375 0.05752516028592 0.78817310651687 30.974 16 P 0.47404082176375 0.44247483971408 0.28817310651687 30.974 *17 Sn 0.14622432843445 0.37901910973352 0.58764957717352 118.710 18 Sn 0.85377567156555 0.87901910973352 0.91235042282648 118.710 19 Sn 0.85377567156555 0.62098089026648 0.41235042282648 118.710 20 Sn 0.14622432843445 0.12098089026648 0.08764957717352 118.710 *21 Sn 0.72768741260525 0.99444383111654 0.05486644858021 118.710 22 Sn 0.72768741260525 0.50555616888346 0.55486644858021 118.710 23 Sn 0.27231258739475 0.00555616888346 0.94513355141979 118.710 24 Sn 0.27231258739475 0.49444383111654 0.44513355141979 118.710 *25 Ba 0.20397987375221 0.31182285131182 0.06942047589864 137.327 26 Ba 0.79602012624779 0.81182285131182 0.43057952410136 137.327 27 Ba 0.79602012624779 0.68817714868818 0.93057952410136 137.327 28 Ba 0.20397987375221 0.18817714868818 0.56942047589864 137.327 *29 Ba 0.26673409568527 0.93818466935246 0.45249137383992 137.327 30 Ba 0.73326590431473 0.43818466935246 0.04750862616008 137.327 31 Ba 0.73326590431473 0.06181533064754 0.54750862616008 137.327 32 Ba 0.26673409568527 0.56181533064754 0.95249137383992 137.327 *33 Ba 0.31718034963109 0.69480155995173 0.44794202583463 137.327 34 Ba 0.68281965036891 0.19480155995173 0.05205797416536 137.327 35 Ba 0.68281965036891 0.30519844004827 0.55205797416537 137.327 36 Ba 0.31718034963109 0.80519844004827 0.94794202583463 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.869912140110054 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -3.023291382463515 0.000000000000000 7.224658528765845 Atomic positions (fractional): *1 P 0.94151008390784 0.30947848412292 0.31489974211405 30.974 > 1 2 P 0.05848991609216 0.80947848412292 0.18510025788595 30.974 > 2 3 P 0.05848991609216 0.69052151587708 0.68510025788595 30.974 > 3 4 P 0.94151008390784 0.19052151587708 0.81489974211405 30.974 > 4 *5 P 0.97057984368244 0.07189028747466 0.28387773943297 30.974 > 5 6 P 0.02942015631756 0.57189028747466 0.21612226056703 30.974 > 6 7 P 0.02942015631756 0.92810971252534 0.71612226056703 30.974 > 7 8 P 0.97057984368244 0.42810971252534 0.78387773943297 30.974 > 8 *9 P 0.43275163892274 0.18000583225117 0.30229093103822 30.974 > 9 10 P 0.56724836107726 0.68000583225117 0.19770906896178 30.974 > 10 11 P 0.56724836107726 0.81999416774883 0.69770906896178 30.974 > 11 12 P 0.43275163892274 0.31999416774883 0.80229093103822 30.974 > 12 *13 P 0.52595917823625 0.94247483971408 0.21182689348313 30.974 > 13 14 P 0.52595917823625 0.55752516028592 0.71182689348313 30.974 > 14 15 P 0.47404082176375 0.05752516028592 0.78817310651687 30.974 > 15 16 P 0.47404082176375 0.44247483971408 0.28817310651687 30.974 > 16 *17 Sn 0.14622432843445 0.37901910973352 0.58764957717352 118.710 > 17 18 Sn 0.85377567156555 0.87901910973352 0.91235042282648 118.710 > 18 19 Sn 0.85377567156555 0.62098089026648 0.41235042282648 118.710 > 19 20 Sn 0.14622432843445 0.12098089026648 0.08764957717352 118.710 > 20 *21 Sn 0.72768741260525 0.99444383111654 0.05486644858021 118.710 > 21 22 Sn 0.72768741260525 0.50555616888346 0.55486644858021 118.710 > 22 23 Sn 0.27231258739475 0.00555616888346 0.94513355141979 118.710 > 23 24 Sn 0.27231258739475 0.49444383111654 0.44513355141979 118.710 > 24 *25 Ba 0.20397987375221 0.31182285131182 0.06942047589864 137.327 > 25 26 Ba 0.79602012624779 0.81182285131182 0.43057952410136 137.327 > 26 27 Ba 0.79602012624779 0.68817714868818 0.93057952410136 137.327 > 27 28 Ba 0.20397987375221 0.18817714868818 0.56942047589864 137.327 > 28 *29 Ba 0.26673409568527 0.93818466935246 0.45249137383992 137.327 > 29 30 Ba 0.73326590431473 0.43818466935246 0.04750862616008 137.327 > 30 31 Ba 0.73326590431473 0.06181533064754 0.54750862616008 137.327 > 31 32 Ba 0.26673409568527 0.56181533064754 0.95249137383992 137.327 > 32 *33 Ba 0.31718034963109 0.69480155995173 0.44794202583463 137.327 > 33 34 Ba 0.68281965036891 0.19480155995173 0.05205797416536 137.327 > 34 35 Ba 0.68281965036891 0.30519844004827 0.55205797416537 137.327 > 35 36 Ba 0.31718034963109 0.80519844004827 0.94794202583463 137.327 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.739824280220107 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -6.046582764927030 0.000000000000000 14.449317057531690 Atomic positions (fractional): *1 P 0.47075504195392 0.30947848412292 0.15744987105702 30.974 > 1 2 P 0.97075504195392 0.30947848412292 0.15744987105702 30.974 > 1 3 P 0.47075504195392 0.30947848412292 0.65744987105702 30.974 > 1 4 P 0.97075504195392 0.30947848412292 0.65744987105702 30.974 > 1 5 P 0.02924495804608 0.80947848412292 0.09255012894298 30.974 > 2 6 P 0.52924495804608 0.80947848412292 0.09255012894298 30.974 > 2 7 P 0.02924495804608 0.80947848412292 0.59255012894298 30.974 > 2 8 P 0.52924495804608 0.80947848412292 0.59255012894298 30.974 > 2 9 P 0.02924495804608 0.69052151587708 0.34255012894298 30.974 > 3 10 P 0.52924495804608 0.69052151587708 0.34255012894298 30.974 > 3 11 P 0.02924495804608 0.69052151587708 0.84255012894298 30.974 > 3 12 P 0.52924495804608 0.69052151587708 0.84255012894298 30.974 > 3 13 P 0.47075504195392 0.19052151587708 0.40744987105702 30.974 > 4 14 P 0.97075504195392 0.19052151587708 0.40744987105702 30.974 > 4 15 P 0.47075504195392 0.19052151587708 0.90744987105702 30.974 > 4 16 P 0.97075504195392 0.19052151587708 0.90744987105702 30.974 > 4 *17 P 0.48528992184122 0.07189028747466 0.14193886971648 30.974 > 5 18 P 0.98528992184122 0.07189028747466 0.14193886971648 30.974 > 5 19 P 0.48528992184122 0.07189028747466 0.64193886971648 30.974 > 5 20 P 0.98528992184122 0.07189028747466 0.64193886971648 30.974 > 5 21 P 0.01471007815878 0.57189028747466 0.10806113028352 30.974 > 6 22 P 0.51471007815878 0.57189028747466 0.10806113028352 30.974 > 6 23 P 0.01471007815878 0.57189028747466 0.60806113028352 30.974 > 6 24 P 0.51471007815878 0.57189028747466 0.60806113028352 30.974 > 6 25 P 0.01471007815878 0.92810971252534 0.35806113028352 30.974 > 7 26 P 0.51471007815878 0.92810971252534 0.35806113028352 30.974 > 7 27 P 0.01471007815878 0.92810971252534 0.85806113028352 30.974 > 7 28 P 0.51471007815878 0.92810971252534 0.85806113028352 30.974 > 7 29 P 0.48528992184122 0.42810971252534 0.39193886971648 30.974 > 8 30 P 0.98528992184122 0.42810971252534 0.39193886971648 30.974 > 8 31 P 0.48528992184122 0.42810971252534 0.89193886971648 30.974 > 8 32 P 0.98528992184122 0.42810971252534 0.89193886971648 30.974 > 8 *33 P 0.21637581946137 0.18000583225117 0.15114546551911 30.974 > 9 34 P 0.71637581946137 0.18000583225117 0.15114546551911 30.974 > 9 35 P 0.21637581946137 0.18000583225117 0.65114546551911 30.974 > 9 36 P 0.71637581946137 0.18000583225117 0.65114546551911 30.974 > 9 37 P 0.28362418053863 0.68000583225117 0.09885453448089 30.974 > 10 38 P 0.78362418053863 0.68000583225117 0.09885453448089 30.974 > 10 39 P 0.28362418053863 0.68000583225117 0.59885453448089 30.974 > 10 40 P 0.78362418053863 0.68000583225117 0.59885453448089 30.974 > 10 41 P 0.28362418053863 0.81999416774883 0.34885453448089 30.974 > 11 42 P 0.78362418053863 0.81999416774883 0.34885453448089 30.974 > 11 43 P 0.28362418053863 0.81999416774883 0.84885453448089 30.974 > 11 44 P 0.78362418053863 0.81999416774883 0.84885453448089 30.974 > 11 45 P 0.21637581946137 0.31999416774883 0.40114546551911 30.974 > 12 46 P 0.71637581946137 0.31999416774883 0.40114546551911 30.974 > 12 47 P 0.21637581946137 0.31999416774883 0.90114546551911 30.974 > 12 48 P 0.71637581946137 0.31999416774883 0.90114546551911 30.974 > 12 *49 P 0.26297958911813 0.94247483971408 0.10591344674157 30.974 > 13 50 P 0.76297958911813 0.94247483971408 0.10591344674157 30.974 > 13 51 P 0.26297958911813 0.94247483971408 0.60591344674157 30.974 > 13 52 P 0.76297958911813 0.94247483971408 0.60591344674157 30.974 > 13 53 P 0.26297958911813 0.55752516028592 0.35591344674157 30.974 > 14 54 P 0.76297958911813 0.55752516028592 0.35591344674157 30.974 > 14 55 P 0.26297958911813 0.55752516028592 0.85591344674157 30.974 > 14 56 P 0.76297958911813 0.55752516028592 0.85591344674157 30.974 > 14 57 P 0.23702041088187 0.05752516028592 0.39408655325843 30.974 > 15 58 P 0.73702041088187 0.05752516028592 0.39408655325843 30.974 > 15 59 P 0.23702041088187 0.05752516028592 0.89408655325843 30.974 > 15 60 P 0.73702041088187 0.05752516028592 0.89408655325843 30.974 > 15 61 P 0.23702041088187 0.44247483971408 0.14408655325843 30.974 > 16 62 P 0.73702041088187 0.44247483971408 0.14408655325843 30.974 > 16 63 P 0.23702041088187 0.44247483971408 0.64408655325843 30.974 > 16 64 P 0.73702041088187 0.44247483971408 0.64408655325843 30.974 > 16 *65 Sn 0.07311216421723 0.37901910973352 0.29382478858676 118.710 > 17 66 Sn 0.57311216421723 0.37901910973352 0.29382478858676 118.710 > 17 67 Sn 0.07311216421723 0.37901910973352 0.79382478858676 118.710 > 17 68 Sn 0.57311216421723 0.37901910973352 0.79382478858676 118.710 > 17 69 Sn 0.42688783578277 0.87901910973352 0.45617521141324 118.710 > 18 70 Sn 0.92688783578277 0.87901910973352 0.45617521141324 118.710 > 18 71 Sn 0.42688783578277 0.87901910973352 0.95617521141324 118.710 > 18 72 Sn 0.92688783578277 0.87901910973352 0.95617521141324 118.710 > 18 73 Sn 0.42688783578277 0.62098089026648 0.20617521141324 118.710 > 19 74 Sn 0.92688783578277 0.62098089026648 0.20617521141324 118.710 > 19 75 Sn 0.42688783578277 0.62098089026648 0.70617521141324 118.710 > 19 76 Sn 0.92688783578277 0.62098089026648 0.70617521141324 118.710 > 19 77 Sn 0.07311216421723 0.12098089026648 0.04382478858676 118.710 > 20 78 Sn 0.57311216421723 0.12098089026648 0.04382478858676 118.710 > 20 79 Sn 0.07311216421723 0.12098089026648 0.54382478858676 118.710 > 20 80 Sn 0.57311216421723 0.12098089026648 0.54382478858676 118.710 > 20 *81 Sn 0.36384370630263 0.99444383111654 0.02743322429010 118.710 > 21 82 Sn 0.86384370630263 0.99444383111654 0.02743322429010 118.710 > 21 83 Sn 0.36384370630263 0.99444383111654 0.52743322429010 118.710 > 21 84 Sn 0.86384370630263 0.99444383111654 0.52743322429010 118.710 > 21 85 Sn 0.36384370630263 0.50555616888346 0.27743322429010 118.710 > 22 86 Sn 0.86384370630263 0.50555616888346 0.27743322429010 118.710 > 22 87 Sn 0.36384370630263 0.50555616888346 0.77743322429010 118.710 > 22 88 Sn 0.86384370630263 0.50555616888346 0.77743322429010 118.710 > 22 89 Sn 0.13615629369737 0.00555616888346 0.47256677570990 118.710 > 23 90 Sn 0.63615629369737 0.00555616888346 0.47256677570990 118.710 > 23 91 Sn 0.13615629369737 0.00555616888346 0.97256677570990 118.710 > 23 92 Sn 0.63615629369737 0.00555616888346 0.97256677570990 118.710 > 23 93 Sn 0.13615629369737 0.49444383111654 0.22256677570990 118.710 > 24 94 Sn 0.63615629369737 0.49444383111654 0.22256677570990 118.710 > 24 95 Sn 0.13615629369737 0.49444383111654 0.72256677570990 118.710 > 24 96 Sn 0.63615629369737 0.49444383111654 0.72256677570990 118.710 > 24 *97 Ba 0.10198993687610 0.31182285131182 0.03471023794932 137.327 > 25 98 Ba 0.60198993687610 0.31182285131182 0.03471023794932 137.327 > 25 99 Ba 0.10198993687610 0.31182285131182 0.53471023794932 137.327 > 25 100 Ba 0.60198993687610 0.31182285131182 0.53471023794932 137.327 > 25 101 Ba 0.39801006312390 0.81182285131182 0.21528976205068 137.327 > 26 102 Ba 0.89801006312390 0.81182285131182 0.21528976205068 137.327 > 26 103 Ba 0.39801006312390 0.81182285131182 0.71528976205068 137.327 > 26 104 Ba 0.89801006312390 0.81182285131182 0.71528976205068 137.327 > 26 105 Ba 0.39801006312390 0.68817714868818 0.46528976205068 137.327 > 27 106 Ba 0.89801006312390 0.68817714868818 0.46528976205068 137.327 > 27 107 Ba 0.39801006312390 0.68817714868818 0.96528976205068 137.327 > 27 108 Ba 0.89801006312390 0.68817714868818 0.96528976205068 137.327 > 27 109 Ba 0.10198993687610 0.18817714868818 0.28471023794932 137.327 > 28 110 Ba 0.60198993687610 0.18817714868818 0.28471023794932 137.327 > 28 111 Ba 0.10198993687610 0.18817714868818 0.78471023794932 137.327 > 28 112 Ba 0.60198993687610 0.18817714868818 0.78471023794932 137.327 > 28 *113 Ba 0.13336704784264 0.93818466935246 0.22624568691996 137.327 > 29 114 Ba 0.63336704784264 0.93818466935246 0.22624568691996 137.327 > 29 115 Ba 0.13336704784264 0.93818466935246 0.72624568691996 137.327 > 29 116 Ba 0.63336704784264 0.93818466935246 0.72624568691996 137.327 > 29 117 Ba 0.36663295215736 0.43818466935246 0.02375431308004 137.327 > 30 118 Ba 0.86663295215736 0.43818466935246 0.02375431308004 137.327 > 30 119 Ba 0.36663295215736 0.43818466935246 0.52375431308004 137.327 > 30 120 Ba 0.86663295215736 0.43818466935246 0.52375431308004 137.327 > 30 121 Ba 0.36663295215736 0.06181533064754 0.27375431308004 137.327 > 31 122 Ba 0.86663295215736 0.06181533064754 0.27375431308004 137.327 > 31 123 Ba 0.36663295215736 0.06181533064754 0.77375431308004 137.327 > 31 124 Ba 0.86663295215736 0.06181533064754 0.77375431308004 137.327 > 31 125 Ba 0.13336704784264 0.56181533064754 0.47624568691996 137.327 > 32 126 Ba 0.63336704784264 0.56181533064754 0.47624568691996 137.327 > 32 127 Ba 0.13336704784264 0.56181533064754 0.97624568691996 137.327 > 32 128 Ba 0.63336704784264 0.56181533064754 0.97624568691996 137.327 > 32 *129 Ba 0.15859017481554 0.69480155995173 0.22397101291732 137.327 > 33 130 Ba 0.65859017481554 0.69480155995173 0.22397101291732 137.327 > 33 131 Ba 0.15859017481554 0.69480155995173 0.72397101291732 137.327 > 33 132 Ba 0.65859017481554 0.69480155995173 0.72397101291732 137.327 > 33 133 Ba 0.34140982518446 0.19480155995173 0.02602898708268 137.327 > 34 134 Ba 0.84140982518446 0.19480155995173 0.02602898708268 137.327 > 34 135 Ba 0.34140982518446 0.19480155995173 0.52602898708268 137.327 > 34 136 Ba 0.84140982518446 0.19480155995173 0.52602898708268 137.327 > 34 137 Ba 0.34140982518446 0.30519844004827 0.27602898708268 137.327 > 35 138 Ba 0.84140982518446 0.30519844004827 0.27602898708268 137.327 > 35 139 Ba 0.34140982518446 0.30519844004827 0.77602898708268 137.327 > 35 140 Ba 0.84140982518446 0.30519844004827 0.77602898708268 137.327 > 35 141 Ba 0.15859017481554 0.80519844004827 0.47397101291732 137.327 > 36 142 Ba 0.65859017481554 0.80519844004827 0.47397101291732 137.327 > 36 143 Ba 0.15859017481554 0.80519844004827 0.97397101291732 137.327 > 36 144 Ba 0.65859017481554 0.80519844004827 0.97397101291732 137.327 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.7742484 0.0000000 1.2088879 0.0000000 11.2984443 0.0000000 1.2088811 0.0000000 11.6353317 -------------------------- Born effective charges -------------------------- 1 P -3.1056079 -0.5049054 -0.4461323 -0.3056935 -3.7421000 -0.3579363 -0.5154579 -0.7313252 -3.7390751 2 P -3.1056079 0.5049054 -0.4461323 0.3056935 -3.7421000 0.3579363 -0.5154579 0.7313252 -3.7390751 3 P -3.1056079 -0.5049054 -0.4461323 -0.3056935 -3.7421000 -0.3579363 -0.5154579 -0.7313252 -3.7390751 4 P -3.1056079 0.5049054 -0.4461323 0.3056935 -3.7421000 0.3579363 -0.5154579 0.7313252 -3.7390751 5 P -3.6533758 -0.5468807 0.2628015 -0.4313827 -3.1700028 -0.5670594 0.1823266 -0.5441043 -3.0233965 6 P -3.6533758 0.5468807 0.2628015 0.4313827 -3.1700028 0.5670594 0.1823266 0.5441043 -3.0233965 7 P -3.6533758 -0.5468807 0.2628015 -0.4313827 -3.1700028 -0.5670594 0.1823266 -0.5441043 -3.0233965 8 P -3.6533758 0.5468807 0.2628015 0.4313827 -3.1700028 0.5670594 0.1823266 0.5441043 -3.0233965 9 P -3.3799793 -0.2035870 -0.5816426 -0.2465032 -3.5687086 -0.2432433 -0.6455739 -0.2224969 -3.3871121 10 P -3.3799793 0.2035870 -0.5816426 0.2465032 -3.5687086 0.2432433 -0.6455739 0.2224969 -3.3871121 11 P -3.3799793 -0.2035870 -0.5816426 -0.2465032 -3.5687086 -0.2432433 -0.6455739 -0.2224969 -3.3871121 12 P -3.3799793 0.2035870 -0.5816426 0.2465032 -3.5687086 0.2432433 -0.6455739 0.2224969 -3.3871121 13 P -3.5422518 0.2209991 -0.2163486 0.4297358 -2.4437924 0.1201658 -0.0322096 0.3540544 -2.5244435 14 P -3.5422518 -0.2209991 -0.2163486 -0.4297358 -2.4437924 -0.1201658 -0.0322096 -0.3540544 -2.5244435 15 P -3.5422518 0.2209991 -0.2163486 0.4297358 -2.4437924 0.1201658 -0.0322096 0.3540544 -2.5244435 16 P -3.5422518 -0.2209991 -0.2163486 -0.4297358 -2.4437924 -0.1201658 -0.0322096 -0.3540544 -2.5244435 17 Sn 2.4087222 -0.0229474 -0.1363401 -0.3574658 2.3340354 0.4058330 0.3947581 0.1849283 2.1963301 18 Sn 2.4087222 0.0229474 -0.1363401 0.3574658 2.3340354 -0.4058330 0.3947581 -0.1849283 2.1963301 19 Sn 2.4087222 -0.0229474 -0.1363401 -0.3574658 2.3340354 0.4058330 0.3947581 0.1849283 2.1963301 20 Sn 2.4087222 0.0229474 -0.1363401 0.3574658 2.3340354 -0.4058330 0.3947581 -0.1849283 2.1963301 21 Sn 3.0080441 0.3027477 0.9197066 -0.0572525 1.5862908 0.7264327 0.4969410 0.0929852 1.2613346 22 Sn 3.0080441 -0.3027477 0.9197066 0.0572525 1.5862908 -0.7264327 0.4969410 -0.0929852 1.2613346 23 Sn 3.0080441 0.3027477 0.9197066 -0.0572525 1.5862908 0.7264327 0.4969410 0.0929852 1.2613346 24 Sn 3.0080441 -0.3027477 0.9197066 0.0572525 1.5862908 -0.7264327 0.4969410 -0.0929852 1.2613346 25 Ba 2.1220119 0.0817856 0.0214914 0.2130373 3.4217824 -0.2253828 -0.1701021 -0.2140398 3.1294789 26 Ba 2.1220119 -0.0817856 0.0214914 -0.2130373 3.4217824 0.2253828 -0.1701021 0.2140398 3.1294789 27 Ba 2.1220119 0.0817856 0.0214914 0.2130373 3.4217824 -0.2253828 -0.1701021 -0.2140398 3.1294789 28 Ba 2.1220119 -0.0817856 0.0214914 -0.2130373 3.4217824 0.2253828 -0.1701021 0.2140398 3.1294789 29 Ba 3.0821614 -0.2691257 -0.1652810 0.0261456 2.2852919 -0.0820040 -0.2271137 -0.1132291 3.6945825 30 Ba 3.0821614 0.2691257 -0.1652810 -0.0261456 2.2852919 0.0820040 -0.2271137 0.1132291 3.6945825 31 Ba 3.0821614 -0.2691257 -0.1652810 0.0261456 2.2852919 -0.0820040 -0.2271137 -0.1132291 3.6945825 32 Ba 3.0821614 0.2691257 -0.1652810 -0.0261456 2.2852919 0.0820040 -0.2271137 0.1132291 3.6945825 33 Ba 3.0602751 0.2467034 0.3417450 0.1316273 3.2972033 -0.0297564 0.5164314 -0.2303892 2.3923011 34 Ba 3.0602751 -0.2467034 0.3417450 -0.1316273 3.2972033 0.0297564 0.5164314 0.2303892 2.3923011 35 Ba 3.0602751 0.2467034 0.3417450 0.1316273 3.2972033 -0.0297564 0.5164314 -0.2303892 2.3923011 36 Ba 3.0602751 -0.2467034 0.3417450 -0.1316273 3.2972033 0.0297564 0.5164314 0.2303892 2.3923011 ---------------------------------------------------------------------------- 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: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.998 Solver_block: 200 / 1120 - Time: 1.785 Solver_block: 300 / 1120 - Time: 1.782 Solver_block: 400 / 1120 - Time: 1.784 Solver_block: 500 / 1120 - Time: 1.785 Solver_block: 600 / 1120 - Time: 1.792 Solver_block: 700 / 1120 - Time: 1.790 Solver_block: 800 / 1120 - Time: 1.788 Solver_block: 900 / 1120 - Time: 1.781 Solver_block: 1000 / 1120 - Time: 1.781 Solver_block: 1100 / 1120 - Time: 1.782 Solver_block: 1120 / 1120 - Time: 0.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.892 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) 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: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:19:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:19:13]------------------------- 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.869912140110054 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -3.023291382463515 0.000000000000000 7.224658528765845 Atomic positions (fractional): 1 P 0.94151008390784 0.30947848412292 0.31489974211405 30.974 2 P 0.05848991609216 0.80947848412292 0.18510025788595 30.974 3 P 0.05848991609216 0.69052151587708 0.68510025788595 30.974 4 P 0.94151008390784 0.19052151587708 0.81489974211405 30.974 5 P 0.97057984368244 0.07189028747466 0.28387773943297 30.974 6 P 0.02942015631756 0.57189028747466 0.21612226056703 30.974 7 P 0.02942015631756 0.92810971252534 0.71612226056703 30.974 8 P 0.97057984368244 0.42810971252534 0.78387773943297 30.974 9 P 0.43275163892274 0.18000583225117 0.30229093103822 30.974 10 P 0.56724836107726 0.68000583225117 0.19770906896178 30.974 11 P 0.56724836107726 0.81999416774883 0.69770906896178 30.974 12 P 0.43275163892274 0.31999416774883 0.80229093103822 30.974 13 P 0.52595917823625 0.94247483971408 0.21182689348313 30.974 14 P 0.52595917823625 0.55752516028592 0.71182689348313 30.974 15 P 0.47404082176375 0.05752516028592 0.78817310651687 30.974 16 P 0.47404082176375 0.44247483971408 0.28817310651687 30.974 17 Sn 0.14622432843445 0.37901910973352 0.58764957717352 118.710 18 Sn 0.85377567156555 0.87901910973352 0.91235042282648 118.710 19 Sn 0.85377567156555 0.62098089026648 0.41235042282648 118.710 20 Sn 0.14622432843445 0.12098089026648 0.08764957717352 118.710 21 Sn 0.72768741260525 0.99444383111654 0.05486644858021 118.710 22 Sn 0.72768741260525 0.50555616888346 0.55486644858021 118.710 23 Sn 0.27231258739475 0.00555616888346 0.94513355141979 118.710 24 Sn 0.27231258739475 0.49444383111654 0.44513355141979 118.710 25 Ba 0.20397987375221 0.31182285131182 0.06942047589864 137.327 26 Ba 0.79602012624779 0.81182285131182 0.43057952410136 137.327 27 Ba 0.79602012624779 0.68817714868818 0.93057952410136 137.327 28 Ba 0.20397987375221 0.18817714868818 0.56942047589864 137.327 29 Ba 0.26673409568527 0.93818466935246 0.45249137383992 137.327 30 Ba 0.73326590431473 0.43818466935246 0.04750862616008 137.327 31 Ba 0.73326590431473 0.06181533064754 0.54750862616008 137.327 32 Ba 0.26673409568527 0.56181533064754 0.95249137383992 137.327 33 Ba 0.31718034963109 0.69480155995173 0.44794202583463 137.327 34 Ba 0.68281965036891 0.19480155995173 0.05205797416536 137.327 35 Ba 0.68281965036891 0.30519844004827 0.55205797416537 137.327 36 Ba 0.31718034963109 0.80519844004827 0.94794202583463 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.739824280220107 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -6.046582764927030 0.000000000000000 14.449317057531690 Atomic positions (fractional): 1 P 0.47075504195392 0.30947848412292 0.15744987105702 30.974 > 1 2 P 0.97075504195392 0.30947848412292 0.15744987105702 30.974 > 1 3 P 0.47075504195392 0.30947848412292 0.65744987105702 30.974 > 1 4 P 0.97075504195392 0.30947848412292 0.65744987105702 30.974 > 1 5 P 0.02924495804608 0.80947848412292 0.09255012894298 30.974 > 5 6 P 0.52924495804608 0.80947848412292 0.09255012894298 30.974 > 5 7 P 0.02924495804608 0.80947848412292 0.59255012894298 30.974 > 5 8 P 0.52924495804608 0.80947848412292 0.59255012894298 30.974 > 5 9 P 0.02924495804608 0.69052151587708 0.34255012894298 30.974 > 9 10 P 0.52924495804608 0.69052151587708 0.34255012894298 30.974 > 9 11 P 0.02924495804608 0.69052151587708 0.84255012894298 30.974 > 9 12 P 0.52924495804608 0.69052151587708 0.84255012894298 30.974 > 9 13 P 0.47075504195392 0.19052151587708 0.40744987105702 30.974 > 13 14 P 0.97075504195392 0.19052151587708 0.40744987105702 30.974 > 13 15 P 0.47075504195392 0.19052151587708 0.90744987105702 30.974 > 13 16 P 0.97075504195392 0.19052151587708 0.90744987105702 30.974 > 13 17 P 0.48528992184122 0.07189028747466 0.14193886971648 30.974 > 17 18 P 0.98528992184122 0.07189028747466 0.14193886971648 30.974 > 17 19 P 0.48528992184122 0.07189028747466 0.64193886971648 30.974 > 17 20 P 0.98528992184122 0.07189028747466 0.64193886971648 30.974 > 17 21 P 0.01471007815878 0.57189028747466 0.10806113028352 30.974 > 21 22 P 0.51471007815878 0.57189028747466 0.10806113028352 30.974 > 21 23 P 0.01471007815878 0.57189028747466 0.60806113028352 30.974 > 21 24 P 0.51471007815878 0.57189028747466 0.60806113028352 30.974 > 21 25 P 0.01471007815878 0.92810971252534 0.35806113028352 30.974 > 25 26 P 0.51471007815878 0.92810971252534 0.35806113028352 30.974 > 25 27 P 0.01471007815878 0.92810971252534 0.85806113028352 30.974 > 25 28 P 0.51471007815878 0.92810971252534 0.85806113028352 30.974 > 25 29 P 0.48528992184122 0.42810971252534 0.39193886971648 30.974 > 29 30 P 0.98528992184122 0.42810971252534 0.39193886971648 30.974 > 29 31 P 0.48528992184122 0.42810971252534 0.89193886971648 30.974 > 29 32 P 0.98528992184122 0.42810971252534 0.89193886971648 30.974 > 29 33 P 0.21637581946137 0.18000583225117 0.15114546551911 30.974 > 33 34 P 0.71637581946137 0.18000583225117 0.15114546551911 30.974 > 33 35 P 0.21637581946137 0.18000583225117 0.65114546551911 30.974 > 33 36 P 0.71637581946137 0.18000583225117 0.65114546551911 30.974 > 33 37 P 0.28362418053863 0.68000583225117 0.09885453448089 30.974 > 37 38 P 0.78362418053863 0.68000583225117 0.09885453448089 30.974 > 37 39 P 0.28362418053863 0.68000583225117 0.59885453448089 30.974 > 37 40 P 0.78362418053863 0.68000583225117 0.59885453448089 30.974 > 37 41 P 0.28362418053863 0.81999416774883 0.34885453448089 30.974 > 41 42 P 0.78362418053863 0.81999416774883 0.34885453448089 30.974 > 41 43 P 0.28362418053863 0.81999416774883 0.84885453448089 30.974 > 41 44 P 0.78362418053863 0.81999416774883 0.84885453448089 30.974 > 41 45 P 0.21637581946137 0.31999416774883 0.40114546551911 30.974 > 45 46 P 0.71637581946137 0.31999416774883 0.40114546551911 30.974 > 45 47 P 0.21637581946137 0.31999416774883 0.90114546551911 30.974 > 45 48 P 0.71637581946137 0.31999416774883 0.90114546551911 30.974 > 45 49 P 0.26297958911813 0.94247483971408 0.10591344674157 30.974 > 49 50 P 0.76297958911813 0.94247483971408 0.10591344674157 30.974 > 49 51 P 0.26297958911813 0.94247483971408 0.60591344674157 30.974 > 49 52 P 0.76297958911813 0.94247483971408 0.60591344674157 30.974 > 49 53 P 0.26297958911813 0.55752516028592 0.35591344674157 30.974 > 53 54 P 0.76297958911813 0.55752516028592 0.35591344674157 30.974 > 53 55 P 0.26297958911813 0.55752516028592 0.85591344674157 30.974 > 53 56 P 0.76297958911813 0.55752516028592 0.85591344674157 30.974 > 53 57 P 0.23702041088187 0.05752516028592 0.39408655325843 30.974 > 57 58 P 0.73702041088187 0.05752516028592 0.39408655325843 30.974 > 57 59 P 0.23702041088187 0.05752516028592 0.89408655325843 30.974 > 57 60 P 0.73702041088187 0.05752516028592 0.89408655325843 30.974 > 57 61 P 0.23702041088187 0.44247483971408 0.14408655325843 30.974 > 61 62 P 0.73702041088187 0.44247483971408 0.14408655325843 30.974 > 61 63 P 0.23702041088187 0.44247483971408 0.64408655325843 30.974 > 61 64 P 0.73702041088187 0.44247483971408 0.64408655325843 30.974 > 61 65 Sn 0.07311216421723 0.37901910973352 0.29382478858676 118.710 > 65 66 Sn 0.57311216421723 0.37901910973352 0.29382478858676 118.710 > 65 67 Sn 0.07311216421723 0.37901910973352 0.79382478858676 118.710 > 65 68 Sn 0.57311216421723 0.37901910973352 0.79382478858676 118.710 > 65 69 Sn 0.42688783578277 0.87901910973352 0.45617521141324 118.710 > 69 70 Sn 0.92688783578277 0.87901910973352 0.45617521141324 118.710 > 69 71 Sn 0.42688783578277 0.87901910973352 0.95617521141324 118.710 > 69 72 Sn 0.92688783578277 0.87901910973352 0.95617521141324 118.710 > 69 73 Sn 0.42688783578277 0.62098089026648 0.20617521141324 118.710 > 73 74 Sn 0.92688783578277 0.62098089026648 0.20617521141324 118.710 > 73 75 Sn 0.42688783578277 0.62098089026648 0.70617521141324 118.710 > 73 76 Sn 0.92688783578277 0.62098089026648 0.70617521141324 118.710 > 73 77 Sn 0.07311216421723 0.12098089026648 0.04382478858676 118.710 > 77 78 Sn 0.57311216421723 0.12098089026648 0.04382478858676 118.710 > 77 79 Sn 0.07311216421723 0.12098089026648 0.54382478858676 118.710 > 77 80 Sn 0.57311216421723 0.12098089026648 0.54382478858676 118.710 > 77 81 Sn 0.36384370630263 0.99444383111654 0.02743322429010 118.710 > 81 82 Sn 0.86384370630263 0.99444383111654 0.02743322429010 118.710 > 81 83 Sn 0.36384370630263 0.99444383111654 0.52743322429010 118.710 > 81 84 Sn 0.86384370630263 0.99444383111654 0.52743322429010 118.710 > 81 85 Sn 0.36384370630263 0.50555616888346 0.27743322429010 118.710 > 85 86 Sn 0.86384370630263 0.50555616888346 0.27743322429010 118.710 > 85 87 Sn 0.36384370630263 0.50555616888346 0.77743322429010 118.710 > 85 88 Sn 0.86384370630263 0.50555616888346 0.77743322429010 118.710 > 85 89 Sn 0.13615629369737 0.00555616888346 0.47256677570990 118.710 > 89 90 Sn 0.63615629369737 0.00555616888346 0.47256677570990 118.710 > 89 91 Sn 0.13615629369737 0.00555616888346 0.97256677570990 118.710 > 89 92 Sn 0.63615629369737 0.00555616888346 0.97256677570990 118.710 > 89 93 Sn 0.13615629369737 0.49444383111654 0.22256677570990 118.710 > 93 94 Sn 0.63615629369737 0.49444383111654 0.22256677570990 118.710 > 93 95 Sn 0.13615629369737 0.49444383111654 0.72256677570990 118.710 > 93 96 Sn 0.63615629369737 0.49444383111654 0.72256677570990 118.710 > 93 97 Ba 0.10198993687610 0.31182285131182 0.03471023794932 137.327 > 97 98 Ba 0.60198993687610 0.31182285131182 0.03471023794932 137.327 > 97 99 Ba 0.10198993687610 0.31182285131182 0.53471023794932 137.327 > 97 100 Ba 0.60198993687610 0.31182285131182 0.53471023794932 137.327 > 97 101 Ba 0.39801006312390 0.81182285131182 0.21528976205068 137.327 > 101 102 Ba 0.89801006312390 0.81182285131182 0.21528976205068 137.327 > 101 103 Ba 0.39801006312390 0.81182285131182 0.71528976205068 137.327 > 101 104 Ba 0.89801006312390 0.81182285131182 0.71528976205068 137.327 > 101 105 Ba 0.39801006312390 0.68817714868818 0.46528976205068 137.327 > 105 106 Ba 0.89801006312390 0.68817714868818 0.46528976205068 137.327 > 105 107 Ba 0.39801006312390 0.68817714868818 0.96528976205068 137.327 > 105 108 Ba 0.89801006312390 0.68817714868818 0.96528976205068 137.327 > 105 109 Ba 0.10198993687610 0.18817714868818 0.28471023794932 137.327 > 109 110 Ba 0.60198993687610 0.18817714868818 0.28471023794932 137.327 > 109 111 Ba 0.10198993687610 0.18817714868818 0.78471023794932 137.327 > 109 112 Ba 0.60198993687610 0.18817714868818 0.78471023794932 137.327 > 109 113 Ba 0.13336704784264 0.93818466935246 0.22624568691996 137.327 > 113 114 Ba 0.63336704784264 0.93818466935246 0.22624568691996 137.327 > 113 115 Ba 0.13336704784264 0.93818466935246 0.72624568691996 137.327 > 113 116 Ba 0.63336704784264 0.93818466935246 0.72624568691996 137.327 > 113 117 Ba 0.36663295215736 0.43818466935246 0.02375431308004 137.327 > 117 118 Ba 0.86663295215736 0.43818466935246 0.02375431308004 137.327 > 117 119 Ba 0.36663295215736 0.43818466935246 0.52375431308004 137.327 > 117 120 Ba 0.86663295215736 0.43818466935246 0.52375431308004 137.327 > 117 121 Ba 0.36663295215736 0.06181533064754 0.27375431308004 137.327 > 121 122 Ba 0.86663295215736 0.06181533064754 0.27375431308004 137.327 > 121 123 Ba 0.36663295215736 0.06181533064754 0.77375431308004 137.327 > 121 124 Ba 0.86663295215736 0.06181533064754 0.77375431308004 137.327 > 121 125 Ba 0.13336704784264 0.56181533064754 0.47624568691996 137.327 > 125 126 Ba 0.63336704784264 0.56181533064754 0.47624568691996 137.327 > 125 127 Ba 0.13336704784264 0.56181533064754 0.97624568691996 137.327 > 125 128 Ba 0.63336704784264 0.56181533064754 0.97624568691996 137.327 > 125 129 Ba 0.15859017481554 0.69480155995173 0.22397101291732 137.327 > 129 130 Ba 0.65859017481554 0.69480155995173 0.22397101291732 137.327 > 129 131 Ba 0.15859017481554 0.69480155995173 0.72397101291732 137.327 > 129 132 Ba 0.65859017481554 0.69480155995173 0.72397101291732 137.327 > 129 133 Ba 0.34140982518446 0.19480155995173 0.02602898708268 137.327 > 133 134 Ba 0.84140982518446 0.19480155995173 0.02602898708268 137.327 > 133 135 Ba 0.34140982518446 0.19480155995173 0.52602898708268 137.327 > 133 136 Ba 0.84140982518446 0.19480155995173 0.52602898708268 137.327 > 133 137 Ba 0.34140982518446 0.30519844004827 0.27602898708268 137.327 > 137 138 Ba 0.84140982518446 0.30519844004827 0.27602898708268 137.327 > 137 139 Ba 0.34140982518446 0.30519844004827 0.77602898708268 137.327 > 137 140 Ba 0.84140982518446 0.30519844004827 0.77602898708268 137.327 > 137 141 Ba 0.15859017481554 0.80519844004827 0.47397101291732 137.327 > 141 142 Ba 0.65859017481554 0.80519844004827 0.47397101291732 137.327 > 141 143 Ba 0.15859017481554 0.80519844004827 0.97397101291732 137.327 > 141 144 Ba 0.65859017481554 0.80519844004827 0.97397101291732 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.7742484 0.0000000 1.2088879 0.0000000 11.2984443 0.0000000 1.2088811 0.0000000 11.6353317 -------------------------- Born effective charges -------------------------- 1 P -3.1056079 -0.5049054 -0.4461323 -0.3056935 -3.7421000 -0.3579363 -0.5154579 -0.7313252 -3.7390751 2 P -3.1056079 0.5049054 -0.4461323 0.3056935 -3.7421000 0.3579363 -0.5154579 0.7313252 -3.7390751 3 P -3.1056079 -0.5049054 -0.4461323 -0.3056935 -3.7421000 -0.3579363 -0.5154579 -0.7313252 -3.7390751 4 P -3.1056079 0.5049054 -0.4461323 0.3056935 -3.7421000 0.3579363 -0.5154579 0.7313252 -3.7390751 5 P -3.6533758 -0.5468807 0.2628015 -0.4313827 -3.1700028 -0.5670594 0.1823266 -0.5441043 -3.0233965 6 P -3.6533758 0.5468807 0.2628015 0.4313827 -3.1700028 0.5670594 0.1823266 0.5441043 -3.0233965 7 P -3.6533758 -0.5468807 0.2628015 -0.4313827 -3.1700028 -0.5670594 0.1823266 -0.5441043 -3.0233965 8 P -3.6533758 0.5468807 0.2628015 0.4313827 -3.1700028 0.5670594 0.1823266 0.5441043 -3.0233965 9 P -3.3799793 -0.2035870 -0.5816426 -0.2465032 -3.5687086 -0.2432433 -0.6455739 -0.2224969 -3.3871121 10 P -3.3799793 0.2035870 -0.5816426 0.2465032 -3.5687086 0.2432433 -0.6455739 0.2224969 -3.3871121 11 P -3.3799793 -0.2035870 -0.5816426 -0.2465032 -3.5687086 -0.2432433 -0.6455739 -0.2224969 -3.3871121 12 P -3.3799793 0.2035870 -0.5816426 0.2465032 -3.5687086 0.2432433 -0.6455739 0.2224969 -3.3871121 13 P -3.5422518 0.2209991 -0.2163486 0.4297358 -2.4437924 0.1201658 -0.0322096 0.3540544 -2.5244435 14 P -3.5422518 -0.2209991 -0.2163486 -0.4297358 -2.4437924 -0.1201658 -0.0322096 -0.3540544 -2.5244435 15 P -3.5422518 0.2209991 -0.2163486 0.4297358 -2.4437924 0.1201658 -0.0322096 0.3540544 -2.5244435 16 P -3.5422518 -0.2209991 -0.2163486 -0.4297358 -2.4437924 -0.1201658 -0.0322096 -0.3540544 -2.5244435 17 Sn 2.4087222 -0.0229474 -0.1363401 -0.3574658 2.3340354 0.4058330 0.3947581 0.1849283 2.1963301 18 Sn 2.4087222 0.0229474 -0.1363401 0.3574658 2.3340354 -0.4058330 0.3947581 -0.1849283 2.1963301 19 Sn 2.4087222 -0.0229474 -0.1363401 -0.3574658 2.3340354 0.4058330 0.3947581 0.1849283 2.1963301 20 Sn 2.4087222 0.0229474 -0.1363401 0.3574658 2.3340354 -0.4058330 0.3947581 -0.1849283 2.1963301 21 Sn 3.0080441 0.3027477 0.9197066 -0.0572525 1.5862908 0.7264327 0.4969410 0.0929852 1.2613346 22 Sn 3.0080441 -0.3027477 0.9197066 0.0572525 1.5862908 -0.7264327 0.4969410 -0.0929852 1.2613346 23 Sn 3.0080441 0.3027477 0.9197066 -0.0572525 1.5862908 0.7264327 0.4969410 0.0929852 1.2613346 24 Sn 3.0080441 -0.3027477 0.9197066 0.0572525 1.5862908 -0.7264327 0.4969410 -0.0929852 1.2613346 25 Ba 2.1220119 0.0817856 0.0214914 0.2130373 3.4217824 -0.2253828 -0.1701021 -0.2140398 3.1294789 26 Ba 2.1220119 -0.0817856 0.0214914 -0.2130373 3.4217824 0.2253828 -0.1701021 0.2140398 3.1294789 27 Ba 2.1220119 0.0817856 0.0214914 0.2130373 3.4217824 -0.2253828 -0.1701021 -0.2140398 3.1294789 28 Ba 2.1220119 -0.0817856 0.0214914 -0.2130373 3.4217824 0.2253828 -0.1701021 0.2140398 3.1294789 29 Ba 3.0821614 -0.2691257 -0.1652810 0.0261456 2.2852919 -0.0820040 -0.2271137 -0.1132291 3.6945825 30 Ba 3.0821614 0.2691257 -0.1652810 -0.0261456 2.2852919 0.0820040 -0.2271137 0.1132291 3.6945825 31 Ba 3.0821614 -0.2691257 -0.1652810 0.0261456 2.2852919 -0.0820040 -0.2271137 -0.1132291 3.6945825 32 Ba 3.0821614 0.2691257 -0.1652810 -0.0261456 2.2852919 0.0820040 -0.2271137 0.1132291 3.6945825 33 Ba 3.0602751 0.2467034 0.3417450 0.1316273 3.2972033 -0.0297564 0.5164314 -0.2303892 2.3923011 34 Ba 3.0602751 -0.2467034 0.3417450 -0.1316273 3.2972033 0.0297564 0.5164314 0.2303892 2.3923011 35 Ba 3.0602751 0.2467034 0.3417450 0.1316273 3.2972033 -0.0297564 0.5164314 -0.2303892 2.3923011 36 Ba 3.0602751 -0.2467034 0.3417450 -0.1316273 3.2972033 0.0297564 0.5164314 0.2303892 2.3923011 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:20:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:20:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.869912140110054 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -3.023291382463515 0.000000000000000 7.224658528765845 Atomic positions (fractional): 1 P 0.94151008390784 0.30947848412292 0.31489974211405 30.974 2 P 0.05848991609216 0.80947848412292 0.18510025788595 30.974 3 P 0.05848991609216 0.69052151587708 0.68510025788595 30.974 4 P 0.94151008390784 0.19052151587708 0.81489974211405 30.974 5 P 0.97057984368244 0.07189028747466 0.28387773943297 30.974 6 P 0.02942015631756 0.57189028747466 0.21612226056703 30.974 7 P 0.02942015631756 0.92810971252534 0.71612226056703 30.974 8 P 0.97057984368244 0.42810971252534 0.78387773943297 30.974 9 P 0.43275163892274 0.18000583225117 0.30229093103822 30.974 10 P 0.56724836107726 0.68000583225117 0.19770906896178 30.974 11 P 0.56724836107726 0.81999416774883 0.69770906896178 30.974 12 P 0.43275163892274 0.31999416774883 0.80229093103822 30.974 13 P 0.52595917823625 0.94247483971408 0.21182689348313 30.974 14 P 0.52595917823625 0.55752516028592 0.71182689348313 30.974 15 P 0.47404082176375 0.05752516028592 0.78817310651687 30.974 16 P 0.47404082176375 0.44247483971408 0.28817310651687 30.974 17 Sn 0.14622432843445 0.37901910973352 0.58764957717352 118.710 18 Sn 0.85377567156555 0.87901910973352 0.91235042282648 118.710 19 Sn 0.85377567156555 0.62098089026648 0.41235042282648 118.710 20 Sn 0.14622432843445 0.12098089026648 0.08764957717352 118.710 21 Sn 0.72768741260525 0.99444383111654 0.05486644858021 118.710 22 Sn 0.72768741260525 0.50555616888346 0.55486644858021 118.710 23 Sn 0.27231258739475 0.00555616888346 0.94513355141979 118.710 24 Sn 0.27231258739475 0.49444383111654 0.44513355141979 118.710 25 Ba 0.20397987375221 0.31182285131182 0.06942047589864 137.327 26 Ba 0.79602012624779 0.81182285131182 0.43057952410136 137.327 27 Ba 0.79602012624779 0.68817714868818 0.93057952410136 137.327 28 Ba 0.20397987375221 0.18817714868818 0.56942047589864 137.327 29 Ba 0.26673409568527 0.93818466935246 0.45249137383992 137.327 30 Ba 0.73326590431473 0.43818466935246 0.04750862616008 137.327 31 Ba 0.73326590431473 0.06181533064754 0.54750862616008 137.327 32 Ba 0.26673409568527 0.56181533064754 0.95249137383992 137.327 33 Ba 0.31718034963109 0.69480155995173 0.44794202583463 137.327 34 Ba 0.68281965036891 0.19480155995173 0.05205797416536 137.327 35 Ba 0.68281965036891 0.30519844004827 0.55205797416537 137.327 36 Ba 0.31718034963109 0.80519844004827 0.94794202583463 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.739824280220107 0.000000000000000 0.000000000000000 b 0.000000000000000 19.205913030000001 0.000000000000000 c -6.046582764927030 0.000000000000000 14.449317057531690 Atomic positions (fractional): 1 P 0.47075504195392 0.30947848412292 0.15744987105702 30.974 > 1 2 P 0.97075504195392 0.30947848412292 0.15744987105702 30.974 > 1 3 P 0.47075504195392 0.30947848412292 0.65744987105702 30.974 > 1 4 P 0.97075504195392 0.30947848412292 0.65744987105702 30.974 > 1 5 P 0.02924495804608 0.80947848412292 0.09255012894298 30.974 > 5 6 P 0.52924495804608 0.80947848412292 0.09255012894298 30.974 > 5 7 P 0.02924495804608 0.80947848412292 0.59255012894298 30.974 > 5 8 P 0.52924495804608 0.80947848412292 0.59255012894298 30.974 > 5 9 P 0.02924495804608 0.69052151587708 0.34255012894298 30.974 > 9 10 P 0.52924495804608 0.69052151587708 0.34255012894298 30.974 > 9 11 P 0.02924495804608 0.69052151587708 0.84255012894298 30.974 > 9 12 P 0.52924495804608 0.69052151587708 0.84255012894298 30.974 > 9 13 P 0.47075504195392 0.19052151587708 0.40744987105702 30.974 > 13 14 P 0.97075504195392 0.19052151587708 0.40744987105702 30.974 > 13 15 P 0.47075504195392 0.19052151587708 0.90744987105702 30.974 > 13 16 P 0.97075504195392 0.19052151587708 0.90744987105702 30.974 > 13 17 P 0.48528992184122 0.07189028747466 0.14193886971648 30.974 > 17 18 P 0.98528992184122 0.07189028747466 0.14193886971648 30.974 > 17 19 P 0.48528992184122 0.07189028747466 0.64193886971648 30.974 > 17 20 P 0.98528992184122 0.07189028747466 0.64193886971648 30.974 > 17 21 P 0.01471007815878 0.57189028747466 0.10806113028352 30.974 > 21 22 P 0.51471007815878 0.57189028747466 0.10806113028352 30.974 > 21 23 P 0.01471007815878 0.57189028747466 0.60806113028352 30.974 > 21 24 P 0.51471007815878 0.57189028747466 0.60806113028352 30.974 > 21 25 P 0.01471007815878 0.92810971252534 0.35806113028352 30.974 > 25 26 P 0.51471007815878 0.92810971252534 0.35806113028352 30.974 > 25 27 P 0.01471007815878 0.92810971252534 0.85806113028352 30.974 > 25 28 P 0.51471007815878 0.92810971252534 0.85806113028352 30.974 > 25 29 P 0.48528992184122 0.42810971252534 0.39193886971648 30.974 > 29 30 P 0.98528992184122 0.42810971252534 0.39193886971648 30.974 > 29 31 P 0.48528992184122 0.42810971252534 0.89193886971648 30.974 > 29 32 P 0.98528992184122 0.42810971252534 0.89193886971648 30.974 > 29 33 P 0.21637581946137 0.18000583225117 0.15114546551911 30.974 > 33 34 P 0.71637581946137 0.18000583225117 0.15114546551911 30.974 > 33 35 P 0.21637581946137 0.18000583225117 0.65114546551911 30.974 > 33 36 P 0.71637581946137 0.18000583225117 0.65114546551911 30.974 > 33 37 P 0.28362418053863 0.68000583225117 0.09885453448089 30.974 > 37 38 P 0.78362418053863 0.68000583225117 0.09885453448089 30.974 > 37 39 P 0.28362418053863 0.68000583225117 0.59885453448089 30.974 > 37 40 P 0.78362418053863 0.68000583225117 0.59885453448089 30.974 > 37 41 P 0.28362418053863 0.81999416774883 0.34885453448089 30.974 > 41 42 P 0.78362418053863 0.81999416774883 0.34885453448089 30.974 > 41 43 P 0.28362418053863 0.81999416774883 0.84885453448089 30.974 > 41 44 P 0.78362418053863 0.81999416774883 0.84885453448089 30.974 > 41 45 P 0.21637581946137 0.31999416774883 0.40114546551911 30.974 > 45 46 P 0.71637581946137 0.31999416774883 0.40114546551911 30.974 > 45 47 P 0.21637581946137 0.31999416774883 0.90114546551911 30.974 > 45 48 P 0.71637581946137 0.31999416774883 0.90114546551911 30.974 > 45 49 P 0.26297958911813 0.94247483971408 0.10591344674157 30.974 > 49 50 P 0.76297958911813 0.94247483971408 0.10591344674157 30.974 > 49 51 P 0.26297958911813 0.94247483971408 0.60591344674157 30.974 > 49 52 P 0.76297958911813 0.94247483971408 0.60591344674157 30.974 > 49 53 P 0.26297958911813 0.55752516028592 0.35591344674157 30.974 > 53 54 P 0.76297958911813 0.55752516028592 0.35591344674157 30.974 > 53 55 P 0.26297958911813 0.55752516028592 0.85591344674157 30.974 > 53 56 P 0.76297958911813 0.55752516028592 0.85591344674157 30.974 > 53 57 P 0.23702041088187 0.05752516028592 0.39408655325843 30.974 > 57 58 P 0.73702041088187 0.05752516028592 0.39408655325843 30.974 > 57 59 P 0.23702041088187 0.05752516028592 0.89408655325843 30.974 > 57 60 P 0.73702041088187 0.05752516028592 0.89408655325843 30.974 > 57 61 P 0.23702041088187 0.44247483971408 0.14408655325843 30.974 > 61 62 P 0.73702041088187 0.44247483971408 0.14408655325843 30.974 > 61 63 P 0.23702041088187 0.44247483971408 0.64408655325843 30.974 > 61 64 P 0.73702041088187 0.44247483971408 0.64408655325843 30.974 > 61 65 Sn 0.07311216421723 0.37901910973352 0.29382478858676 118.710 > 65 66 Sn 0.57311216421723 0.37901910973352 0.29382478858676 118.710 > 65 67 Sn 0.07311216421723 0.37901910973352 0.79382478858676 118.710 > 65 68 Sn 0.57311216421723 0.37901910973352 0.79382478858676 118.710 > 65 69 Sn 0.42688783578277 0.87901910973352 0.45617521141324 118.710 > 69 70 Sn 0.92688783578277 0.87901910973352 0.45617521141324 118.710 > 69 71 Sn 0.42688783578277 0.87901910973352 0.95617521141324 118.710 > 69 72 Sn 0.92688783578277 0.87901910973352 0.95617521141324 118.710 > 69 73 Sn 0.42688783578277 0.62098089026648 0.20617521141324 118.710 > 73 74 Sn 0.92688783578277 0.62098089026648 0.20617521141324 118.710 > 73 75 Sn 0.42688783578277 0.62098089026648 0.70617521141324 118.710 > 73 76 Sn 0.92688783578277 0.62098089026648 0.70617521141324 118.710 > 73 77 Sn 0.07311216421723 0.12098089026648 0.04382478858676 118.710 > 77 78 Sn 0.57311216421723 0.12098089026648 0.04382478858676 118.710 > 77 79 Sn 0.07311216421723 0.12098089026648 0.54382478858676 118.710 > 77 80 Sn 0.57311216421723 0.12098089026648 0.54382478858676 118.710 > 77 81 Sn 0.36384370630263 0.99444383111654 0.02743322429010 118.710 > 81 82 Sn 0.86384370630263 0.99444383111654 0.02743322429010 118.710 > 81 83 Sn 0.36384370630263 0.99444383111654 0.52743322429010 118.710 > 81 84 Sn 0.86384370630263 0.99444383111654 0.52743322429010 118.710 > 81 85 Sn 0.36384370630263 0.50555616888346 0.27743322429010 118.710 > 85 86 Sn 0.86384370630263 0.50555616888346 0.27743322429010 118.710 > 85 87 Sn 0.36384370630263 0.50555616888346 0.77743322429010 118.710 > 85 88 Sn 0.86384370630263 0.50555616888346 0.77743322429010 118.710 > 85 89 Sn 0.13615629369737 0.00555616888346 0.47256677570990 118.710 > 89 90 Sn 0.63615629369737 0.00555616888346 0.47256677570990 118.710 > 89 91 Sn 0.13615629369737 0.00555616888346 0.97256677570990 118.710 > 89 92 Sn 0.63615629369737 0.00555616888346 0.97256677570990 118.710 > 89 93 Sn 0.13615629369737 0.49444383111654 0.22256677570990 118.710 > 93 94 Sn 0.63615629369737 0.49444383111654 0.22256677570990 118.710 > 93 95 Sn 0.13615629369737 0.49444383111654 0.72256677570990 118.710 > 93 96 Sn 0.63615629369737 0.49444383111654 0.72256677570990 118.710 > 93 97 Ba 0.10198993687610 0.31182285131182 0.03471023794932 137.327 > 97 98 Ba 0.60198993687610 0.31182285131182 0.03471023794932 137.327 > 97 99 Ba 0.10198993687610 0.31182285131182 0.53471023794932 137.327 > 97 100 Ba 0.60198993687610 0.31182285131182 0.53471023794932 137.327 > 97 101 Ba 0.39801006312390 0.81182285131182 0.21528976205068 137.327 > 101 102 Ba 0.89801006312390 0.81182285131182 0.21528976205068 137.327 > 101 103 Ba 0.39801006312390 0.81182285131182 0.71528976205068 137.327 > 101 104 Ba 0.89801006312390 0.81182285131182 0.71528976205068 137.327 > 101 105 Ba 0.39801006312390 0.68817714868818 0.46528976205068 137.327 > 105 106 Ba 0.89801006312390 0.68817714868818 0.46528976205068 137.327 > 105 107 Ba 0.39801006312390 0.68817714868818 0.96528976205068 137.327 > 105 108 Ba 0.89801006312390 0.68817714868818 0.96528976205068 137.327 > 105 109 Ba 0.10198993687610 0.18817714868818 0.28471023794932 137.327 > 109 110 Ba 0.60198993687610 0.18817714868818 0.28471023794932 137.327 > 109 111 Ba 0.10198993687610 0.18817714868818 0.78471023794932 137.327 > 109 112 Ba 0.60198993687610 0.18817714868818 0.78471023794932 137.327 > 109 113 Ba 0.13336704784264 0.93818466935246 0.22624568691996 137.327 > 113 114 Ba 0.63336704784264 0.93818466935246 0.22624568691996 137.327 > 113 115 Ba 0.13336704784264 0.93818466935246 0.72624568691996 137.327 > 113 116 Ba 0.63336704784264 0.93818466935246 0.72624568691996 137.327 > 113 117 Ba 0.36663295215736 0.43818466935246 0.02375431308004 137.327 > 117 118 Ba 0.86663295215736 0.43818466935246 0.02375431308004 137.327 > 117 119 Ba 0.36663295215736 0.43818466935246 0.52375431308004 137.327 > 117 120 Ba 0.86663295215736 0.43818466935246 0.52375431308004 137.327 > 117 121 Ba 0.36663295215736 0.06181533064754 0.27375431308004 137.327 > 121 122 Ba 0.86663295215736 0.06181533064754 0.27375431308004 137.327 > 121 123 Ba 0.36663295215736 0.06181533064754 0.77375431308004 137.327 > 121 124 Ba 0.86663295215736 0.06181533064754 0.77375431308004 137.327 > 121 125 Ba 0.13336704784264 0.56181533064754 0.47624568691996 137.327 > 125 126 Ba 0.63336704784264 0.56181533064754 0.47624568691996 137.327 > 125 127 Ba 0.13336704784264 0.56181533064754 0.97624568691996 137.327 > 125 128 Ba 0.63336704784264 0.56181533064754 0.97624568691996 137.327 > 125 129 Ba 0.15859017481554 0.69480155995173 0.22397101291732 137.327 > 129 130 Ba 0.65859017481554 0.69480155995173 0.22397101291732 137.327 > 129 131 Ba 0.15859017481554 0.69480155995173 0.72397101291732 137.327 > 129 132 Ba 0.65859017481554 0.69480155995173 0.72397101291732 137.327 > 129 133 Ba 0.34140982518446 0.19480155995173 0.02602898708268 137.327 > 133 134 Ba 0.84140982518446 0.19480155995173 0.02602898708268 137.327 > 133 135 Ba 0.34140982518446 0.19480155995173 0.52602898708268 137.327 > 133 136 Ba 0.84140982518446 0.19480155995173 0.52602898708268 137.327 > 133 137 Ba 0.34140982518446 0.30519844004827 0.27602898708268 137.327 > 137 138 Ba 0.84140982518446 0.30519844004827 0.27602898708268 137.327 > 137 139 Ba 0.34140982518446 0.30519844004827 0.77602898708268 137.327 > 137 140 Ba 0.84140982518446 0.30519844004827 0.77602898708268 137.327 > 137 141 Ba 0.15859017481554 0.80519844004827 0.47397101291732 137.327 > 141 142 Ba 0.65859017481554 0.80519844004827 0.47397101291732 137.327 > 141 143 Ba 0.15859017481554 0.80519844004827 0.97397101291732 137.327 > 141 144 Ba 0.65859017481554 0.80519844004827 0.97397101291732 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.7742484 0.0000000 1.2088879 0.0000000 11.2984443 0.0000000 1.2088811 0.0000000 11.6353317 -------------------------- Born effective charges -------------------------- 1 P -3.1056079 -0.5049054 -0.4461323 -0.3056935 -3.7421000 -0.3579363 -0.5154579 -0.7313252 -3.7390751 2 P -3.1056079 0.5049054 -0.4461323 0.3056935 -3.7421000 0.3579363 -0.5154579 0.7313252 -3.7390751 3 P -3.1056079 -0.5049054 -0.4461323 -0.3056935 -3.7421000 -0.3579363 -0.5154579 -0.7313252 -3.7390751 4 P -3.1056079 0.5049054 -0.4461323 0.3056935 -3.7421000 0.3579363 -0.5154579 0.7313252 -3.7390751 5 P -3.6533758 -0.5468807 0.2628015 -0.4313827 -3.1700028 -0.5670594 0.1823266 -0.5441043 -3.0233965 6 P -3.6533758 0.5468807 0.2628015 0.4313827 -3.1700028 0.5670594 0.1823266 0.5441043 -3.0233965 7 P -3.6533758 -0.5468807 0.2628015 -0.4313827 -3.1700028 -0.5670594 0.1823266 -0.5441043 -3.0233965 8 P -3.6533758 0.5468807 0.2628015 0.4313827 -3.1700028 0.5670594 0.1823266 0.5441043 -3.0233965 9 P -3.3799793 -0.2035870 -0.5816426 -0.2465032 -3.5687086 -0.2432433 -0.6455739 -0.2224969 -3.3871121 10 P -3.3799793 0.2035870 -0.5816426 0.2465032 -3.5687086 0.2432433 -0.6455739 0.2224969 -3.3871121 11 P -3.3799793 -0.2035870 -0.5816426 -0.2465032 -3.5687086 -0.2432433 -0.6455739 -0.2224969 -3.3871121 12 P -3.3799793 0.2035870 -0.5816426 0.2465032 -3.5687086 0.2432433 -0.6455739 0.2224969 -3.3871121 13 P -3.5422518 0.2209991 -0.2163486 0.4297358 -2.4437924 0.1201658 -0.0322096 0.3540544 -2.5244435 14 P -3.5422518 -0.2209991 -0.2163486 -0.4297358 -2.4437924 -0.1201658 -0.0322096 -0.3540544 -2.5244435 15 P -3.5422518 0.2209991 -0.2163486 0.4297358 -2.4437924 0.1201658 -0.0322096 0.3540544 -2.5244435 16 P -3.5422518 -0.2209991 -0.2163486 -0.4297358 -2.4437924 -0.1201658 -0.0322096 -0.3540544 -2.5244435 17 Sn 2.4087222 -0.0229474 -0.1363401 -0.3574658 2.3340354 0.4058330 0.3947581 0.1849283 2.1963301 18 Sn 2.4087222 0.0229474 -0.1363401 0.3574658 2.3340354 -0.4058330 0.3947581 -0.1849283 2.1963301 19 Sn 2.4087222 -0.0229474 -0.1363401 -0.3574658 2.3340354 0.4058330 0.3947581 0.1849283 2.1963301 20 Sn 2.4087222 0.0229474 -0.1363401 0.3574658 2.3340354 -0.4058330 0.3947581 -0.1849283 2.1963301 21 Sn 3.0080441 0.3027477 0.9197066 -0.0572525 1.5862908 0.7264327 0.4969410 0.0929852 1.2613346 22 Sn 3.0080441 -0.3027477 0.9197066 0.0572525 1.5862908 -0.7264327 0.4969410 -0.0929852 1.2613346 23 Sn 3.0080441 0.3027477 0.9197066 -0.0572525 1.5862908 0.7264327 0.4969410 0.0929852 1.2613346 24 Sn 3.0080441 -0.3027477 0.9197066 0.0572525 1.5862908 -0.7264327 0.4969410 -0.0929852 1.2613346 25 Ba 2.1220119 0.0817856 0.0214914 0.2130373 3.4217824 -0.2253828 -0.1701021 -0.2140398 3.1294789 26 Ba 2.1220119 -0.0817856 0.0214914 -0.2130373 3.4217824 0.2253828 -0.1701021 0.2140398 3.1294789 27 Ba 2.1220119 0.0817856 0.0214914 0.2130373 3.4217824 -0.2253828 -0.1701021 -0.2140398 3.1294789 28 Ba 2.1220119 -0.0817856 0.0214914 -0.2130373 3.4217824 0.2253828 -0.1701021 0.2140398 3.1294789 29 Ba 3.0821614 -0.2691257 -0.1652810 0.0261456 2.2852919 -0.0820040 -0.2271137 -0.1132291 3.6945825 30 Ba 3.0821614 0.2691257 -0.1652810 -0.0261456 2.2852919 0.0820040 -0.2271137 0.1132291 3.6945825 31 Ba 3.0821614 -0.2691257 -0.1652810 0.0261456 2.2852919 -0.0820040 -0.2271137 -0.1132291 3.6945825 32 Ba 3.0821614 0.2691257 -0.1652810 -0.0261456 2.2852919 0.0820040 -0.2271137 0.1132291 3.6945825 33 Ba 3.0602751 0.2467034 0.3417450 0.1316273 3.2972033 -0.0297564 0.5164314 -0.2303892 2.3923011 34 Ba 3.0602751 -0.2467034 0.3417450 -0.1316273 3.2972033 0.0297564 0.5164314 0.2303892 2.3923011 35 Ba 3.0602751 0.2467034 0.3417450 0.1316273 3.2972033 -0.0297564 0.5164314 -0.2303892 2.3923011 36 Ba 3.0602751 -0.2467034 0.3417450 -0.1316273 3.2972033 0.0297564 0.5164314 0.2303892 2.3923011 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 3 7 ] 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: 0.40, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.248 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 27.069 0.000 2.289) 27.165 0.527 ( 20.320 0.000 17.000) 26.493 0.757 ( 34.343 0.000 15.179) 37.548 1.042 ( 4.757 0.000 -4.452) 6.515 1.084 ( 13.282 0.000 -6.373) 14.732 1.254 ( -0.888 0.000 -9.666) 9.707 1.254 ( -1.346 0.000 -7.128) 7.254 1.448 ( 3.731 0.000 4.009) 5.476 1.567 ( 5.689 0.000 1.625) 5.917 1.784 ( 1.044 0.000 -3.690) 3.835 1.816 ( 0.280 0.000 -0.174) 0.330 1.844 ( -1.109 0.000 2.800) 3.012 1.879 ( 0.410 0.000 0.176) 0.447 1.894 ( -0.022 0.000 5.158) 5.158 1.906 ( -2.373 0.000 -0.233) 2.385 1.956 ( 3.042 0.000 -0.445) 3.074 2.035 ( -1.691 0.000 -2.325) 2.875 2.045 ( -3.270 0.000 5.245) 6.181 2.089 ( 1.842 0.000 2.395) 3.021 2.138 ( 1.581 0.000 0.287) 1.607 2.138 ( -0.694 0.000 -1.822) 1.949 2.185 ( -2.001 0.000 -0.946) 2.214 2.204 ( 4.799 0.000 3.693) 6.056 2.231 ( -4.581 0.000 -2.607) 5.271 2.232 ( -1.162 0.000 -1.042) 1.561 2.270 ( -4.393 0.000 1.184) 4.549 2.279 ( 0.864 0.000 1.258) 1.526 2.316 ( -1.860 0.000 -1.689) 2.513 2.329 ( -1.628 0.000 -1.035) 1.928 2.350 ( 0.159 0.000 -1.470) 1.479 2.392 ( 0.937 0.000 -0.667) 1.150 2.406 ( -3.348 0.000 1.067) 3.514 2.415 ( -1.015 0.000 -1.479) 1.794 2.426 ( 2.055 0.000 3.130) 3.745 2.485 ( 2.340 0.000 1.615) 2.843 2.486 ( -2.691 0.000 1.888) 3.287 2.517 ( -2.835 0.000 3.852) 4.782 2.519 ( -0.400 0.000 0.039) 0.402 2.544 ( 1.496 0.000 -1.938) 2.448 2.607 ( 2.343 0.000 3.406) 4.134 2.647 ( 2.393 0.000 -2.388) 3.380 2.733 ( -1.129 0.000 0.704) 1.331 2.759 ( 0.631 0.000 1.430) 1.563 2.837 ( -0.330 0.000 11.750) 11.755 2.897 ( 1.513 0.000 2.114) 2.599 3.041 ( -0.379 0.000 -1.061) 1.126 3.212 ( -3.188 0.000 0.691) 3.262 3.229 ( -0.447 0.000 0.999) 1.095 3.256 ( -1.463 0.000 -0.438) 1.527 3.284 ( 1.601 0.000 0.655) 1.730 3.327 ( 0.803 0.000 -0.832) 1.156 3.336 ( -3.806 0.000 1.549) 4.110 3.370 ( 0.283 0.000 3.467) 3.478 3.554 ( -7.718 0.000 -0.865) 7.767 3.814 ( 3.998 0.000 -0.169) 4.002 3.846 ( 3.313 0.000 -1.360) 3.581 4.666 ( -1.544 0.000 0.121) 1.549 4.676 ( -2.499 0.000 0.738) 2.606 4.708 ( -1.726 0.000 0.223) 1.740 4.726 ( 1.359 0.000 1.381) 1.938 4.791 ( 0.266 0.000 1.119) 1.150 4.816 ( -1.029 0.000 0.112) 1.035 4.869 ( 1.082 0.000 -0.823) 1.359 4.904 ( -0.267 0.000 -1.447) 1.472 5.018 ( 1.013 0.000 -0.654) 1.205 5.018 ( 1.621 0.000 -0.754) 1.788 5.061 ( 0.251 0.000 0.299) 0.390 5.118 ( -1.130 0.000 9.098) 9.168 5.159 ( -2.984 0.000 0.636) 3.051 5.196 ( -0.893 0.000 2.767) 2.908 5.237 ( 0.543 0.000 -0.157) 0.565 5.293 ( 0.563 0.000 0.401) 0.691 5.350 ( 0.507 0.000 -1.635) 1.711 5.375 ( -0.536 0.000 2.207) 2.271 5.457 ( 0.133 0.000 3.255) 3.258 5.566 ( -6.355 0.000 -1.460) 6.521 5.610 ( -1.894 0.000 -0.000) 1.894 5.692 ( 2.937 0.000 -8.037) 8.556 5.750 ( 2.955 0.000 1.133) 3.164 5.883 ( 0.097 0.000 -2.155) 2.157 5.911 ( 3.361 0.000 -9.639) 10.208 5.994 ( 1.552 0.000 -5.628) 5.839 6.025 ( 0.416 0.000 -7.522) 7.533 6.267 ( -14.119 0.000 -10.756) 17.749 7.419 ( 6.444 0.000 -3.501) 7.334 7.451 ( 6.859 0.000 -12.910) 14.619 7.771 ( 1.345 0.000 0.903) 1.620 7.793 ( 0.912 0.000 0.230) 0.941 7.961 ( 0.413 0.000 -0.597) 0.726 7.989 ( -0.149 0.000 -0.388) 0.416 8.152 ( -1.537 0.000 3.310) 3.650 8.223 ( -3.304 0.000 -0.783) 3.395 8.622 ( 0.122 0.000 -0.312) 0.335 8.636 ( 0.639 0.000 -2.375) 2.460 8.659 ( -1.578 0.000 0.523) 1.662 8.730 ( -1.795 0.000 -1.876) 2.596 8.801 ( 1.640 0.000 4.516) 4.805 8.833 ( -0.447 0.000 1.081) 1.170 8.843 ( 1.427 0.000 4.144) 4.383 8.882 ( 2.246 0.000 2.500) 3.361 8.996 ( -0.974 0.000 0.754) 1.232 9.036 ( 1.916 0.000 1.204) 2.263 9.164 ( -1.685 0.000 11.086) 11.213 9.232 ( -1.121 0.000 0.443) 1.206 9.258 ( 3.125 0.000 1.218) 3.354 9.286 ( 4.396 0.000 3.659) 5.720 9.290 ( 2.133 0.000 0.434) 2.177 9.608 ( -6.227 0.000 14.403) 15.691 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 10.203 0.000 7.124) 12.444 1.000 ( 23.132 0.000 1.363) 23.172 1.110 ( 12.340 0.000 0.874) 12.371 1.227 ( 3.991 0.000 -2.420) 4.667 1.325 ( 17.531 0.000 -8.353) 19.419 1.344 ( 14.513 0.000 -8.306) 16.722 1.452 ( 27.833 0.000 11.114) 29.970 1.588 ( 7.273 0.000 6.351) 9.656 1.638 ( -2.702 0.000 -1.203) 2.957 1.732 ( 0.335 0.000 -5.265) 5.275 1.749 ( -2.843 0.000 -2.543) 3.815 1.814 ( -4.943 0.000 -0.267) 4.951 1.854 ( -0.737 0.000 0.242) 0.775 1.896 ( 1.293 0.000 2.383) 2.711 1.949 ( -0.399 0.000 -2.255) 2.290 1.960 ( -4.344 0.000 -0.863) 4.429 1.987 ( -0.522 0.000 -4.408) 4.438 2.029 ( -3.060 0.000 4.662) 5.577 2.047 ( -3.428 0.000 -0.664) 3.492 2.083 ( -3.438 0.000 -1.986) 3.971 2.115 ( 0.516 0.000 5.139) 5.165 2.161 ( -0.759 0.000 0.016) 0.760 2.175 ( -1.770 0.000 0.187) 1.780 2.183 ( -2.180 0.000 -2.648) 3.430 2.217 ( -4.932 0.000 0.402) 4.949 2.221 ( -5.595 0.000 -1.218) 5.726 2.271 ( -0.629 0.000 1.062) 1.234 2.322 ( -2.780 0.000 -0.844) 2.905 2.349 ( -2.497 0.000 1.700) 3.021 2.357 ( 1.913 0.000 0.444) 1.964 2.358 ( 3.878 0.000 -0.099) 3.880 2.364 ( -3.807 0.000 1.760) 4.194 2.477 ( 0.501 0.000 5.461) 5.484 2.486 ( 2.049 0.000 2.395) 3.152 2.495 ( 0.304 0.000 4.683) 4.693 2.518 ( 3.586 0.000 0.558) 3.629 2.532 ( 3.792 0.000 6.384) 7.425 2.582 ( 4.140 0.000 4.324) 5.986 2.594 ( 6.325 0.000 1.293) 6.455 2.660 ( 2.357 0.000 -5.868) 6.324 2.668 ( -0.828 0.000 1.156) 1.422 2.720 ( 3.119 0.000 0.319) 3.135 2.793 ( 2.153 0.000 1.079) 2.409 2.895 ( -2.088 0.000 8.334) 8.592 2.911 ( -1.696 0.000 0.196) 1.707 3.030 ( 0.524 0.000 -1.527) 1.615 3.163 ( -3.011 0.000 -0.089) 3.013 3.207 ( -3.258 0.000 -0.929) 3.388 3.236 ( 0.075 0.000 0.714) 0.718 3.267 ( -10.895 0.000 -0.152) 10.896 3.273 ( -5.332 0.000 5.164) 7.423 3.323 ( 2.048 0.000 -0.651) 2.149 3.334 ( -9.156 0.000 -0.610) 9.176 3.404 ( 1.111 0.000 -3.324) 3.505 3.880 ( 3.241 0.000 -0.999) 3.392 3.927 ( 5.269 0.000 0.435) 5.287 4.634 ( -2.051 0.000 0.082) 2.053 4.644 ( -0.818 0.000 0.269) 0.861 4.668 ( -1.927 0.000 -1.076) 2.207 4.735 ( -0.982 0.000 -1.508) 1.799 4.803 ( -0.163 0.000 1.864) 1.871 4.816 ( 0.681 0.000 2.676) 2.761 4.904 ( 0.982 0.000 -2.013) 2.240 4.912 ( 2.497 0.000 1.131) 2.741 5.003 ( -0.721 0.000 -2.295) 2.406 5.022 ( -0.100 0.000 -1.471) 1.474 5.065 ( -1.204 0.000 1.697) 2.081 5.117 ( -0.248 0.000 0.658) 0.704 5.155 ( -0.137 0.000 2.757) 2.760 5.220 ( -0.969 0.000 2.914) 3.070 5.262 ( 1.890 0.000 1.136) 2.205 5.310 ( 1.512 0.000 -0.504) 1.594 5.350 ( -0.681 0.000 1.041) 1.244 5.375 ( -1.039 0.000 2.125) 2.366 5.436 ( -6.825 0.000 0.534) 6.846 5.457 ( -2.146 0.000 5.191) 5.618 5.616 ( 0.520 0.000 1.861) 1.933 5.682 ( 0.679 0.000 -2.165) 2.269 5.793 ( 0.374 0.000 1.337) 1.388 5.871 ( 0.366 0.000 -3.055) 3.077 5.901 ( 0.651 0.000 -3.173) 3.239 5.940 ( -9.590 0.000 -12.044) 15.396 5.963 ( -0.993 0.000 -6.206) 6.284 5.975 ( 1.422 0.000 -5.813) 5.985 7.485 ( 3.796 0.000 -4.289) 5.727 7.492 ( 4.384 0.000 -3.532) 5.630 7.813 ( 2.104 0.000 0.981) 2.322 7.817 ( 1.396 0.000 0.515) 1.488 7.974 ( 0.785 0.000 0.778) 1.106 7.981 ( -0.183 0.000 -0.877) 0.896 8.140 ( -2.024 0.000 2.443) 3.173 8.153 ( -4.038 0.000 0.864) 4.130 8.598 ( -1.435 0.000 -1.446) 2.037 8.619 ( 0.201 0.000 -0.989) 1.010 8.643 ( -0.869 0.000 -0.675) 1.100 8.681 ( -1.800 0.000 -1.530) 2.362 8.861 ( 1.206 0.000 3.464) 3.668 8.887 ( 3.865 0.000 2.035) 4.368 8.913 ( 2.174 0.000 4.739) 5.214 8.967 ( 2.950 0.000 5.819) 6.524 8.991 ( -0.276 0.000 1.144) 1.177 9.078 ( 1.795 0.000 0.262) 1.814 9.162 ( -3.717 0.000 4.082) 5.521 9.207 ( -1.945 0.000 0.279) 1.965 9.322 ( 1.085 0.000 -0.278) 1.120 9.331 ( 3.236 0.000 1.449) 3.545 9.416 ( 4.464 0.000 5.115) 6.789 9.599 ( -3.587 0.000 6.458) 7.388 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 9.745 0.000 1.206) 9.819 1.329 ( 6.538 0.000 1.990) 6.834 1.361 ( 14.413 0.000 -1.286) 14.471 1.419 ( 11.870 0.000 7.247) 13.907 1.467 ( -8.994 0.000 -1.809) 9.174 1.516 ( 5.204 0.000 -4.147) 6.655 1.531 ( 9.081 0.000 -4.909) 10.323 1.633 ( -6.480 0.000 -2.409) 6.914 1.702 ( 6.099 0.000 -0.725) 6.142 1.734 ( -0.496 0.000 0.628) 0.800 1.746 ( -2.351 0.000 -6.650) 7.053 1.786 ( -2.664 0.000 5.685) 6.278 1.816 ( -1.853 0.000 -1.166) 2.189 1.926 ( 0.296 0.000 -2.596) 2.613 1.942 ( -6.077 0.000 -0.651) 6.112 1.954 ( 1.859 0.000 2.441) 3.068 1.969 ( -0.250 0.000 -1.314) 1.337 1.987 ( -3.773 0.000 4.018) 5.512 2.006 ( -1.593 0.000 1.416) 2.131 2.009 ( 6.922 0.000 -4.167) 8.080 2.105 ( -1.927 0.000 -1.710) 2.576 2.116 ( 0.630 0.000 -0.755) 0.983 2.143 ( -1.161 0.000 0.440) 1.241 2.156 ( -1.206 0.000 0.205) 1.223 2.199 ( 2.383 0.000 3.605) 4.321 2.208 ( -2.524 0.000 4.558) 5.210 2.270 ( 1.672 0.000 0.348) 1.708 2.293 ( 0.124 0.000 3.435) 3.437 2.318 ( 0.803 0.000 2.219) 2.360 2.340 ( 0.050 0.000 0.004) 0.050 2.367 ( 0.529 0.000 -1.029) 1.157 2.391 ( 0.465 0.000 -1.424) 1.498 2.495 ( -0.483 0.000 2.819) 2.860 2.544 ( 1.107 0.000 0.721) 1.321 2.564 ( -1.803 0.000 -0.123) 1.807 2.580 ( 2.953 0.000 2.280) 3.731 2.581 ( 2.780 0.000 2.581) 3.794 2.644 ( 1.955 0.000 2.744) 3.370 2.652 ( 3.185 0.000 -5.781) 6.600 2.706 ( 3.803 0.000 3.108) 4.911 2.750 ( 3.158 0.000 2.745) 4.184 2.828 ( -5.781 0.000 -0.965) 5.861 2.846 ( 3.930 0.000 2.930) 4.902 2.871 ( 6.088 0.000 -0.604) 6.118 2.880 ( -8.866 0.000 -0.973) 8.919 2.935 ( -8.926 0.000 -1.900) 9.126 3.036 ( 0.734 0.000 -0.968) 1.215 3.123 ( -3.791 0.000 -0.191) 3.796 3.152 ( -1.785 0.000 0.479) 1.848 3.200 ( -5.166 0.000 2.670) 5.815 3.207 ( -4.348 0.000 -0.885) 4.437 3.242 ( -0.075 0.000 -0.040) 0.086 3.346 ( 0.902 0.000 -0.472) 1.018 3.414 ( 0.996 0.000 -1.407) 1.724 3.914 ( 1.229 0.000 -0.645) 1.388 4.010 ( 2.509 0.000 0.605) 2.581 4.613 ( -0.436 0.000 0.692) 0.818 4.630 ( -1.013 0.000 -1.502) 1.812 4.641 ( 0.072 0.000 0.454) 0.460 4.699 ( -0.956 0.000 -1.323) 1.633 4.815 ( -0.086 0.000 0.917) 0.921 4.838 ( -0.221 0.000 1.317) 1.335 4.905 ( 0.551 0.000 -0.769) 0.946 4.941 ( -0.198 0.000 0.368) 0.418 5.001 ( 1.855 0.000 -0.234) 1.870 5.008 ( -0.226 0.000 -0.694) 0.730 5.048 ( -1.326 0.000 0.155) 1.335 5.132 ( 0.547 0.000 0.668) 0.863 5.170 ( 0.649 0.000 0.414) 0.769 5.203 ( -1.447 0.000 0.766) 1.638 5.300 ( 1.031 0.000 0.028) 1.031 5.328 ( -1.633 0.000 0.233) 1.650 5.340 ( 1.545 0.000 -0.263) 1.568 5.343 ( -2.694 0.000 0.661) 2.774 5.388 ( 0.060 0.000 1.346) 1.348 5.475 ( -0.426 0.000 4.161) 4.183 5.630 ( -0.634 0.000 2.052) 2.147 5.689 ( 0.370 0.000 0.803) 0.884 5.715 ( -3.895 0.000 -6.463) 7.546 5.802 ( 0.259 0.000 -1.010) 1.043 5.875 ( -0.360 0.000 -3.375) 3.394 5.891 ( 0.860 0.000 -0.784) 1.164 5.915 ( -0.787 0.000 -0.691) 1.047 5.967 ( 0.935 0.000 -2.410) 2.585 7.514 ( 1.392 0.000 -1.087) 1.766 7.526 ( 1.468 0.000 -1.310) 1.967 7.846 ( 1.008 0.000 0.448) 1.103 7.848 ( 0.962 0.000 0.236) 0.991 7.968 ( -0.364 0.000 -0.817) 0.894 7.993 ( 0.383 0.000 0.711) 0.808 8.103 ( -1.841 0.000 0.798) 2.007 8.125 ( -0.861 0.000 0.862) 1.218 8.576 ( -0.391 0.000 -0.346) 0.523 8.616 ( 0.093 0.000 -0.371) 0.382 8.625 ( -0.542 0.000 -0.276) 0.609 8.650 ( -0.666 0.000 -0.613) 0.905 8.893 ( 0.405 0.000 1.110) 1.181 8.954 ( 1.255 0.000 0.543) 1.367 8.981 ( 1.351 0.000 2.823) 3.130 9.022 ( 3.499 0.000 0.658) 3.560 9.047 ( 1.423 0.000 3.005) 3.325 9.105 ( 1.447 0.000 -0.346) 1.487 9.106 ( -4.502 0.000 1.374) 4.707 9.167 ( -2.148 0.000 -0.419) 2.189 9.328 ( 0.096 0.000 -0.387) 0.399 9.382 ( 1.251 0.000 0.583) 1.381 9.509 ( 2.765 0.000 1.694) 3.242 9.575 ( -2.519 0.000 2.202) 3.346 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 0.000 19.399 0.000) 19.399 0.513 ( 0.000 28.570 0.000) 28.570 0.610 ( 0.000 12.036 0.000) 12.036 0.735 ( 0.000 6.344 0.000) 6.344 0.979 ( 0.000 -23.838 0.000) 23.838 1.252 ( 0.000 -26.063 0.000) 26.063 1.274 ( 0.000 14.775 0.000) 14.775 1.488 ( 0.000 11.794 0.000) 11.794 1.522 ( 0.000 -13.488 0.000) 13.488 1.653 ( 0.000 -7.152 0.000) 7.152 1.697 ( 0.000 13.238 0.000) 13.238 1.791 ( 0.000 -2.598 0.000) 2.598 1.819 ( 0.000 -7.559 0.000) 7.559 1.880 ( 0.000 -5.001 0.000) 5.001 1.942 ( 0.000 2.360 0.000) 2.360 1.969 ( 0.000 -0.177 0.000) 0.177 2.000 ( 0.000 6.701 0.000) 6.701 2.059 ( 0.000 1.194 0.000) 1.194 2.109 ( 0.000 -2.747 0.000) 2.747 2.118 ( 0.000 -2.524 0.000) 2.524 2.157 ( 0.000 0.711 0.000) 0.711 2.164 ( 0.000 0.972 0.000) 0.972 2.198 ( 0.000 -3.568 0.000) 3.568 2.209 ( 0.000 -3.633 0.000) 3.633 2.258 ( 0.000 -0.273 0.000) 0.273 2.269 ( 0.000 -0.913 0.000) 0.913 2.327 ( 0.000 1.568 0.000) 1.568 2.328 ( 0.000 0.766 0.000) 0.766 2.362 ( 0.000 -0.174 0.000) 0.174 2.375 ( 0.000 -0.224 0.000) 0.224 2.399 ( 0.000 1.783 0.000) 1.783 2.414 ( 0.000 -0.287 0.000) 0.287 2.415 ( 0.000 0.134 0.000) 0.134 2.423 ( 0.000 -0.149 0.000) 0.149 2.469 ( 0.000 2.821 0.000) 2.821 2.477 ( 0.000 -0.701 0.000) 0.701 2.553 ( 0.000 1.477 0.000) 1.477 2.563 ( 0.000 0.751 0.000) 0.751 2.614 ( 0.000 4.373 0.000) 4.373 2.629 ( 0.000 3.665 0.000) 3.665 2.659 ( 0.000 4.032 0.000) 4.032 2.705 ( 0.000 -3.761 0.000) 3.761 2.720 ( 0.000 4.099 0.000) 4.099 2.844 ( 0.000 7.832 0.000) 7.832 2.844 ( 0.000 -4.172 0.000) 4.172 3.065 ( 0.000 -15.747 0.000) 15.747 3.132 ( 0.000 8.013 0.000) 8.013 3.225 ( 0.000 -0.049 0.000) 0.049 3.235 ( 0.000 -2.142 0.000) 2.142 3.273 ( 0.000 -4.956 0.000) 4.956 3.308 ( 0.000 2.359 0.000) 2.359 3.343 ( 0.000 -2.251 0.000) 2.251 3.477 ( 0.000 6.377 0.000) 6.377 3.550 ( 0.000 -2.371 0.000) 2.371 3.785 ( 0.000 1.522 0.000) 1.522 3.813 ( 0.000 -1.463 0.000) 1.463 4.649 ( 0.000 0.620 0.000) 0.620 4.671 ( 0.000 -1.927 0.000) 1.927 4.698 ( 0.000 1.044 0.000) 1.044 4.718 ( 0.000 -0.929 0.000) 0.929 4.807 ( 0.000 2.438 0.000) 2.438 4.854 ( 0.000 -2.527 0.000) 2.527 4.965 ( 0.000 2.560 0.000) 2.560 4.971 ( 0.000 1.673 0.000) 1.673 4.994 ( 0.000 -0.717 0.000) 0.717 4.998 ( 0.000 -0.822 0.000) 0.822 5.063 ( 0.000 0.793 0.000) 0.793 5.097 ( 0.000 -2.273 0.000) 2.273 5.198 ( 0.000 -0.223 0.000) 0.223 5.220 ( 0.000 -1.695 0.000) 1.695 5.318 ( 0.000 1.099 0.000) 1.099 5.328 ( 0.000 1.400 0.000) 1.400 5.368 ( 0.000 1.179 0.000) 1.179 5.404 ( 0.000 -1.839 0.000) 1.839 5.503 ( 0.000 0.770 0.000) 0.770 5.507 ( 0.000 0.421 0.000) 0.421 5.660 ( 0.000 -0.492 0.000) 0.492 5.667 ( 0.000 -1.344 0.000) 1.344 5.812 ( 0.000 1.293 0.000) 1.293 5.824 ( 0.000 -0.059 0.000) 0.059 6.005 ( 0.000 0.782 0.000) 0.782 6.024 ( 0.000 -1.159 0.000) 1.159 6.469 ( 0.000 0.270 0.000) 0.270 6.474 ( 0.000 -0.279 0.000) 0.279 7.331 ( 0.000 1.289 0.000) 1.289 7.355 ( 0.000 -1.298 0.000) 1.298 7.764 ( 0.000 0.791 0.000) 0.791 7.777 ( 0.000 -0.649 0.000) 0.649 7.970 ( 0.000 0.681 0.000) 0.681 7.984 ( 0.000 -0.792 0.000) 0.792 8.128 ( 0.000 1.135 0.000) 1.135 8.151 ( 0.000 -1.317 0.000) 1.317 8.646 ( 0.000 2.611 0.000) 2.611 8.659 ( 0.000 0.915 0.000) 0.915 8.681 ( 0.000 -0.939 0.000) 0.939 8.707 ( 0.000 -3.485 0.000) 3.485 8.770 ( 0.000 0.567 0.000) 0.567 8.781 ( 0.000 -0.725 0.000) 0.725 8.869 ( 0.000 1.135 0.000) 1.135 8.873 ( 0.000 0.530 0.000) 0.530 9.002 ( 0.000 -0.292 0.000) 0.292 9.003 ( 0.000 -0.395 0.000) 0.395 9.144 ( 0.000 0.716 0.000) 0.716 9.157 ( 0.000 -0.670 0.000) 0.670 9.225 ( 0.000 0.875 0.000) 0.875 9.240 ( 0.000 -0.780 0.000) 0.780 9.257 ( 0.000 0.164 0.000) 0.164 9.260 ( 0.000 -0.083 0.000) 0.083 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 12.662 10.529 4.750) 17.139 0.634 ( 25.653 8.034 -5.928) 27.527 0.801 ( 4.996 -17.023 -5.158) 18.476 0.876 ( 12.603 -17.422 -8.399) 23.085 1.123 ( 22.901 26.516 17.042) 38.961 1.312 ( 6.061 13.195 -4.693) 15.260 1.427 ( 5.728 -2.696 -1.218) 6.447 1.532 ( 4.061 4.244 3.517) 6.847 1.618 ( 1.887 -2.787 -1.181) 3.567 1.664 ( 7.709 -11.857 6.191) 15.439 1.671 ( 0.927 -3.221 0.151) 3.355 1.788 ( -0.811 -5.569 0.418) 5.643 1.838 ( -0.981 -1.924 1.320) 2.531 1.867 ( -1.104 -3.152 0.371) 3.361 1.938 ( -0.966 3.201 1.922) 3.856 1.984 ( 0.834 6.241 -0.783) 6.345 2.011 ( 2.163 -1.663 3.370) 4.336 2.061 ( -2.428 0.277 1.392) 2.813 2.072 ( -2.137 -1.697 -3.086) 4.120 2.097 ( -0.359 -2.052 -1.577) 2.613 2.111 ( -2.405 -1.669 -2.456) 3.821 2.150 ( -3.369 -2.748 1.094) 4.483 2.172 ( -0.864 0.266 -1.594) 1.832 2.211 ( -0.841 -1.741 -0.957) 2.157 2.266 ( -0.953 -0.564 1.030) 1.512 2.273 ( -0.040 -0.936 1.440) 1.718 2.299 ( -2.390 0.376 -2.954) 3.819 2.319 ( -2.059 -1.689 -0.942) 2.825 2.333 ( -1.261 3.247 0.925) 3.604 2.366 ( -1.171 1.460 -2.153) 2.853 2.378 ( -0.308 -1.637 1.008) 1.947 2.383 ( -2.109 -0.803 -1.843) 2.914 2.407 ( 0.304 0.236 0.133) 0.407 2.428 ( -0.128 -0.741 2.003) 2.139 2.478 ( -0.869 -0.932 2.450) 2.762 2.481 ( -0.360 -1.238 1.787) 2.204 2.543 ( -2.304 2.405 1.062) 3.496 2.556 ( -0.821 2.142 1.023) 2.512 2.619 ( 2.222 3.315 -1.517) 4.269 2.644 ( 0.980 4.649 1.235) 4.909 2.665 ( -0.313 -1.518 -0.442) 1.611 2.715 ( 1.496 -0.290 2.170) 2.652 2.781 ( 3.404 5.466 3.091) 7.142 2.872 ( 1.552 -2.666 2.966) 4.280 2.898 ( 1.356 6.888 6.389) 9.492 3.077 ( 1.559 -5.762 -2.308) 6.400 3.149 ( 1.077 0.150 2.187) 2.442 3.213 ( -0.342 -1.052 -1.081) 1.547 3.232 ( -2.438 -0.766 2.682) 3.705 3.269 ( 0.178 -3.199 2.379) 3.991 3.285 ( -2.073 1.480 -0.645) 2.627 3.323 ( -2.672 -2.299 1.588) 3.866 3.460 ( -3.106 4.773 0.825) 5.754 3.522 ( -5.350 -2.738 -0.144) 6.011 3.825 ( 3.857 0.860 -0.403) 3.972 3.838 ( 3.531 -0.625 -0.810) 3.676 4.648 ( -0.598 -0.568 0.145) 0.838 4.654 ( -1.376 -0.902 -0.131) 1.650 4.711 ( -0.265 0.636 1.128) 1.322 4.724 ( 0.529 -0.593 1.199) 1.439 4.797 ( -0.649 1.394 0.163) 1.547 4.827 ( -1.584 -1.517 -1.237) 2.518 4.917 ( -0.584 2.425 -2.157) 3.297 4.942 ( -2.201 0.883 -0.826) 2.512 5.024 ( 0.782 0.760 0.050) 1.091 5.027 ( 1.927 0.640 0.063) 2.031 5.064 ( -0.506 1.360 0.622) 1.579 5.113 ( -1.232 -3.365 2.368) 4.295 5.176 ( -2.376 2.671 2.913) 4.611 5.205 ( -1.984 -0.475 1.687) 2.647 5.258 ( -2.222 3.037 3.458) 5.111 5.299 ( -1.682 -0.840 1.269) 2.268 5.366 ( -0.331 1.392 1.116) 1.815 5.381 ( -0.502 0.352 0.777) 0.990 5.499 ( -1.714 4.815 1.353) 5.287 5.565 ( -7.657 -0.273 0.129) 7.663 5.596 ( -1.370 -1.347 -0.213) 1.934 5.607 ( 4.308 -4.908 -2.179) 6.885 5.824 ( 2.062 3.094 -1.741) 4.105 5.856 ( 2.602 -1.268 -2.593) 3.886 5.981 ( -1.113 1.807 -4.319) 4.812 6.004 ( -0.756 -0.869 -3.154) 3.357 6.081 ( -6.774 9.971 -17.187) 20.993 6.224 ( -13.850 -5.220 -12.849) 19.600 7.422 ( 6.947 0.515 -4.755) 8.434 7.438 ( 7.214 -1.178 -8.912) 11.526 7.775 ( 1.190 0.453 0.730) 1.467 7.785 ( 1.022 -0.663 0.481) 1.310 7.970 ( 0.463 0.846 -0.439) 1.060 7.984 ( 0.179 -0.582 -0.332) 0.694 8.157 ( -1.274 0.749 3.375) 3.685 8.187 ( -1.432 -2.735 2.258) 3.825 8.627 ( -0.988 0.901 -1.078) 1.717 8.643 ( -1.748 -0.546 -1.818) 2.580 8.673 ( 0.102 2.032 -0.064) 2.036 8.712 ( -1.077 -2.008 -1.335) 2.641 8.812 ( 1.830 1.211 4.432) 4.946 8.832 ( 2.093 -0.751 4.920) 5.399 8.844 ( -0.103 0.710 0.955) 1.194 8.865 ( 1.949 -1.525 2.449) 3.482 8.997 ( -0.624 0.198 1.273) 1.432 9.010 ( 0.536 -1.558 2.269) 2.804 9.199 ( -1.219 2.470 6.041) 6.639 9.226 ( -1.195 -0.759 1.512) 2.071 9.264 ( 2.931 0.603 1.132) 3.200 9.275 ( 2.852 -0.660 1.203) 3.165 9.325 ( 5.342 4.012 5.823) 8.863 9.453 ( 4.956 -10.951 12.578) 17.398 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 16.011 -2.741 8.617) 18.389 0.917 ( 14.974 -11.150 4.665) 19.244 1.077 ( 23.870 4.839 -3.994) 24.681 1.180 ( 20.086 -6.883 -6.337) 22.158 1.381 ( 4.987 9.719 -5.576) 12.265 1.475 ( 6.450 3.419 -4.811) 8.743 1.586 ( 6.472 1.405 -3.443) 7.465 1.614 ( 1.597 -0.888 -0.229) 1.842 1.665 ( 6.046 3.938 3.939) 8.220 1.705 ( 11.275 12.009 7.063) 17.923 1.770 ( -3.377 -0.386 0.651) 3.461 1.789 ( 0.396 -6.315 1.766) 6.569 1.803 ( -3.052 -0.708 -1.250) 3.373 1.905 ( 0.764 1.820 0.193) 1.983 1.951 ( 2.941 -0.895 -1.410) 3.382 1.992 ( -2.675 1.627 -1.321) 3.398 2.007 ( -2.107 0.132 0.798) 2.257 2.026 ( -2.087 0.146 -0.772) 2.231 2.056 ( -0.802 -2.533 -1.546) 3.074 2.071 ( -1.728 1.085 -1.425) 2.489 2.100 ( -0.570 -1.721 3.832) 4.240 2.130 ( -1.676 -1.199 -0.359) 2.092 2.136 ( -3.119 -2.316 -1.053) 4.025 2.148 ( 3.602 -6.626 3.032) 8.128 2.218 ( -4.711 0.787 0.622) 4.817 2.243 ( -0.232 -0.784 2.900) 3.013 2.274 ( -1.454 -1.247 1.074) 2.196 2.287 ( -2.407 1.197 2.035) 3.371 2.309 ( -0.378 -0.070 1.259) 1.316 2.344 ( 0.680 -0.741 0.741) 1.249 2.354 ( 0.478 -1.488 -2.288) 2.771 2.381 ( -1.431 -4.043 5.339) 6.848 2.405 ( -0.587 2.313 0.062) 2.387 2.460 ( 1.068 -2.661 1.857) 3.416 2.497 ( -1.106 2.435 4.163) 4.948 2.517 ( 1.443 1.581 4.196) 4.711 2.529 ( -0.606 -0.348 -0.098) 0.705 2.555 ( 4.075 -2.360 3.190) 5.688 2.635 ( 0.987 -1.256 -3.596) 3.935 2.647 ( 1.226 -1.602 -5.111) 5.495 2.678 ( 0.446 4.645 2.263) 5.186 2.741 ( -0.008 -1.774 1.272) 2.183 2.868 ( 0.588 3.174 5.496) 6.374 2.901 ( -1.513 -1.102 2.530) 3.147 2.974 ( 3.654 10.568 2.189) 11.394 3.076 ( 0.241 2.052 -2.195) 3.015 3.153 ( -1.836 -0.221 -0.549) 1.929 3.206 ( -2.281 -0.833 -0.288) 2.445 3.215 ( -0.213 -2.859 -1.292) 3.144 3.239 ( -4.387 -3.102 0.846) 5.440 3.274 ( -5.243 0.019 3.707) 6.422 3.281 ( -2.263 -1.283 3.382) 4.267 3.354 ( -7.549 1.547 -1.448) 7.841 3.386 ( -2.839 -1.813 -2.262) 4.057 3.895 ( 3.741 1.444 -0.650) 4.062 3.918 ( 4.796 -1.017 0.115) 4.904 4.627 ( -1.354 -0.316 0.108) 1.394 4.631 ( -0.946 -0.708 -0.118) 1.187 4.692 ( -1.560 1.937 -0.738) 2.595 4.723 ( -1.224 -1.369 -1.213) 2.201 4.804 ( 0.241 0.625 2.260) 2.357 4.818 ( 0.336 -0.543 1.895) 1.999 4.911 ( 0.827 0.616 -1.583) 1.889 4.918 ( 0.048 0.074 -0.396) 0.405 5.012 ( -0.714 1.316 -1.378) 2.034 5.031 ( -0.871 -0.074 -0.855) 1.223 5.066 ( -0.051 1.050 0.924) 1.400 5.099 ( 0.128 -1.872 0.687) 1.998 5.180 ( -0.595 2.026 2.075) 2.961 5.208 ( -0.512 -1.204 1.988) 2.380 5.273 ( 0.798 1.355 1.779) 2.374 5.301 ( 0.584 -1.358 0.621) 1.603 5.366 ( -1.555 1.537 1.290) 2.538 5.383 ( -0.858 0.286 2.279) 2.452 5.431 ( -5.023 0.330 0.710) 5.084 5.453 ( -2.753 -1.062 2.467) 3.846 5.620 ( 0.734 0.960 2.333) 2.628 5.653 ( 0.941 -2.441 0.796) 2.735 5.824 ( -1.539 2.740 -1.684) 3.566 5.863 ( -1.278 -1.336 -3.219) 3.712 5.913 ( -1.130 1.205 -3.231) 3.629 5.933 ( -4.510 -0.773 -7.402) 8.703 5.958 ( -0.953 -0.116 -7.597) 7.657 5.968 ( 0.607 -0.801 -8.087) 8.149 7.486 ( 3.944 0.171 -4.091) 5.686 7.490 ( 4.232 -0.193 -3.717) 5.635 7.814 ( 1.957 0.092 0.888) 2.151 7.816 ( 1.652 -0.144 0.704) 1.802 7.979 ( 0.502 0.422 0.201) 0.686 7.983 ( 0.043 0.070 -0.579) 0.585 8.140 ( -2.405 0.164 2.267) 3.309 8.147 ( -3.397 -0.539 1.473) 3.742 8.601 ( -1.019 0.325 -1.189) 1.600 8.610 ( -0.294 -0.712 -0.971) 1.239 8.655 ( -1.136 1.053 -0.847) 1.765 8.673 ( -1.618 -0.871 -1.282) 2.240 8.870 ( 1.371 1.002 3.064) 3.503 8.887 ( 2.321 -0.550 2.315) 3.324 8.918 ( 3.010 1.139 4.486) 5.521 8.948 ( 3.031 -1.807 4.722) 5.894 9.007 ( 0.433 1.607 2.227) 2.780 9.044 ( 1.092 -2.594 1.945) 3.421 9.185 ( -2.767 1.538 1.819) 3.651 9.203 ( -2.144 -0.548 0.495) 2.267 9.326 ( 2.158 0.593 0.684) 2.340 9.336 ( 2.801 -0.145 1.343) 3.110 9.450 ( 2.784 4.129 5.451) 7.383 9.543 ( -0.932 -5.523 6.274) 8.410 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 12.738 4.148 4.881) 14.258 1.269 ( 13.883 -8.410 7.461) 17.864 1.364 ( 4.679 2.077 -1.530) 5.343 1.389 ( 7.590 -1.380 -2.725) 8.182 1.488 ( -0.198 2.875 -1.395) 3.202 1.518 ( 8.496 0.835 -1.848) 8.735 1.557 ( -0.636 0.572 -3.986) 4.077 1.608 ( -5.107 -3.822 -2.757) 6.949 1.693 ( 3.202 -0.075 -5.326) 6.215 1.699 ( 1.613 0.070 -4.231) 4.529 1.780 ( 1.140 1.904 5.855) 6.261 1.814 ( -2.991 -0.361 3.011) 4.259 1.868 ( -2.180 2.687 -2.107) 4.051 1.891 ( 0.485 -1.139 -0.117) 1.243 1.928 ( -3.538 0.040 0.612) 3.590 1.943 ( -1.997 -0.584 -1.409) 2.513 1.982 ( -1.061 1.999 -2.105) 3.091 2.001 ( -4.094 1.364 -0.782) 4.386 2.014 ( -2.204 -0.354 -1.117) 2.496 2.058 ( 2.388 -1.619 -1.349) 3.184 2.073 ( 0.497 0.526 0.065) 0.727 2.105 ( -1.151 0.951 3.642) 3.936 2.123 ( 0.120 -1.782 -1.761) 2.509 2.142 ( -2.822 -0.969 0.325) 3.001 2.213 ( 1.780 1.441 1.536) 2.758 2.242 ( -0.260 -0.466 2.131) 2.197 2.290 ( 0.793 3.634 2.315) 4.381 2.317 ( -0.557 1.113 1.936) 2.302 2.335 ( -0.090 2.206 2.488) 3.326 2.354 ( 2.959 3.893 -0.909) 4.974 2.372 ( 0.373 0.681 -0.328) 0.843 2.419 ( 3.726 0.990 4.797) 6.154 2.464 ( -0.833 -6.704 0.918) 6.817 2.495 ( 1.981 -0.946 4.238) 4.773 2.549 ( 2.352 -3.499 1.768) 4.571 2.557 ( 2.062 -2.215 2.587) 3.981 2.619 ( 3.054 1.574 1.485) 3.743 2.626 ( 5.235 0.602 0.447) 5.289 2.649 ( 4.501 -0.177 -2.826) 5.318 2.676 ( 6.555 -1.575 0.815) 6.791 2.700 ( 0.905 -1.903 1.198) 2.423 2.741 ( 0.522 -4.784 0.577) 4.846 2.843 ( -4.306 1.426 0.176) 4.539 2.864 ( -3.567 -0.637 1.383) 3.878 2.939 ( -15.514 1.938 -4.142) 16.174 2.969 ( -9.251 -0.145 -1.861) 9.438 3.075 ( -0.252 3.192 -0.937) 3.337 3.111 ( -1.903 -1.089 -0.451) 2.238 3.170 ( -0.192 2.145 -0.310) 2.176 3.211 ( 0.015 0.331 0.864) 0.925 3.226 ( 1.495 2.375 -0.463) 2.844 3.286 ( -3.420 4.958 1.619) 6.237 3.312 ( 1.530 -3.721 0.121) 4.025 3.373 ( 0.247 -4.283 0.104) 4.292 3.939 ( 1.423 2.563 -0.417) 2.961 3.986 ( 2.072 -2.433 0.211) 3.202 4.613 ( -0.310 0.100 0.453) 0.558 4.619 ( -0.358 -0.549 -0.246) 0.700 4.663 ( -0.673 1.603 -0.646) 1.854 4.688 ( -0.914 -1.184 -1.139) 1.880 4.819 ( -0.169 0.583 0.994) 1.165 4.832 ( -0.308 -0.706 0.996) 1.259 4.913 ( 0.603 0.860 -0.310) 1.095 4.930 ( 0.397 -0.982 0.297) 1.100 5.001 ( 0.439 0.460 -0.621) 0.889 5.012 ( -0.355 -0.382 -0.699) 0.872 5.069 ( -0.153 2.408 0.252) 2.426 5.113 ( 0.398 -2.133 0.484) 2.223 5.182 ( -0.024 1.053 0.362) 1.113 5.198 ( -1.047 -0.651 0.585) 1.365 5.301 ( 1.055 0.327 0.413) 1.179 5.314 ( 0.225 -1.087 0.249) 1.137 5.339 ( -1.348 0.133 0.225) 1.373 5.342 ( -2.408 -0.171 0.701) 2.514 5.421 ( 0.545 2.755 1.158) 3.038 5.462 ( 0.078 -1.655 2.550) 3.041 5.629 ( -1.113 0.321 1.834) 2.169 5.651 ( -1.372 -2.203 -0.187) 2.602 5.756 ( -1.421 2.534 -3.459) 4.517 5.790 ( -0.161 -1.370 -1.897) 2.346 5.886 ( -0.615 1.099 -1.599) 2.036 5.906 ( -0.819 -0.703 -1.429) 1.791 5.911 ( 1.003 1.761 -1.430) 2.481 5.949 ( 0.972 -1.947 -2.535) 3.340 7.517 ( 1.425 0.316 -1.135) 1.849 7.523 ( 1.462 -0.319 -1.248) 1.948 7.846 ( 0.983 0.043 0.363) 1.048 7.847 ( 0.911 -0.083 0.248) 0.948 7.975 ( -0.231 0.721 -0.488) 0.900 7.988 ( 0.128 -0.572 0.261) 0.642 8.109 ( -1.533 0.560 0.884) 1.856 8.119 ( -1.042 -0.558 0.914) 1.494 8.584 ( -0.234 0.918 -0.353) 1.011 8.603 ( 0.009 -1.133 -0.397) 1.201 8.633 ( -0.586 0.673 -0.282) 0.936 8.644 ( -0.655 -0.549 -0.474) 0.977 8.904 ( 0.521 1.193 0.989) 1.635 8.930 ( 0.796 -1.764 0.820) 2.102 8.997 ( 2.038 1.357 2.550) 3.535 9.026 ( 1.791 -1.663 2.935) 3.819 9.041 ( 1.758 1.599 0.738) 2.488 9.072 ( 0.566 -1.756 1.138) 2.168 9.138 ( -2.402 1.534 -0.320) 2.868 9.159 ( -2.287 -0.846 -0.533) 2.496 9.351 ( 0.484 2.239 0.144) 2.295 9.381 ( 1.135 -0.672 0.554) 1.430 9.514 ( 1.383 1.117 1.797) 2.528 9.550 ( -1.260 -2.466 2.062) 3.452 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -12.152 0.000 24.493) 27.342 0.502 ( 9.501 0.000 24.628) 26.397 0.708 ( 5.822 0.000 34.319) 34.809 1.059 ( -5.932 0.000 5.462) 8.064 1.069 ( -8.766 0.000 8.200) 12.004 1.276 ( -14.648 0.000 -6.970) 16.222 1.306 ( -6.846 0.000 0.884) 6.903 1.432 ( 3.154 0.000 3.859) 4.985 1.540 ( 1.327 0.000 4.771) 4.952 1.800 ( -3.461 0.000 1.379) 3.726 1.811 ( 4.129 0.000 4.865) 6.381 1.829 ( 1.776 0.000 -0.213) 1.789 1.863 ( -0.289 0.000 -2.046) 2.066 1.886 ( 1.410 0.000 -4.758) 4.963 1.919 ( 1.460 0.000 0.654) 1.600 1.984 ( -1.288 0.000 5.557) 5.704 2.034 ( 3.726 0.000 -1.271) 3.937 2.056 ( -2.041 0.000 -2.195) 2.998 2.095 ( 2.980 0.000 -0.272) 2.993 2.114 ( 0.806 0.000 0.951) 1.247 2.128 ( -0.730 0.000 1.432) 1.607 2.182 ( 2.169 0.000 0.164) 2.176 2.198 ( 0.280 0.000 -1.750) 1.772 2.199 ( 2.669 0.000 -0.315) 2.688 2.223 ( -0.773 0.000 -1.992) 2.137 2.282 ( 2.140 0.000 -1.039) 2.379 2.301 ( 2.444 0.000 -1.897) 3.094 2.328 ( -0.724 0.000 -0.829) 1.101 2.357 ( -5.090 0.000 0.479) 5.113 2.365 ( 1.015 0.000 -1.390) 1.721 2.374 ( 0.263 0.000 -2.427) 2.442 2.375 ( -1.684 0.000 -1.767) 2.441 2.440 ( 2.961 0.000 0.839) 3.078 2.443 ( 2.012 0.000 2.276) 3.038 2.462 ( -0.737 0.000 1.021) 1.259 2.479 ( -1.137 0.000 -1.121) 1.597 2.516 ( 0.947 0.000 -0.013) 0.947 2.559 ( 4.038 0.000 2.085) 4.545 2.573 ( -2.351 0.000 2.369) 3.338 2.584 ( 1.234 0.000 1.527) 1.963 2.637 ( -1.750 0.000 0.467) 1.812 2.751 ( 1.149 0.000 0.056) 1.150 2.768 ( -1.284 0.000 2.298) 2.633 2.880 ( 2.340 0.000 1.628) 2.851 3.034 ( -1.116 0.000 -1.901) 2.205 3.055 ( -0.599 0.000 1.074) 1.230 3.216 ( 1.553 0.000 -3.985) 4.277 3.235 ( 0.267 0.000 -0.437) 0.512 3.239 ( 0.444 0.000 -2.622) 2.659 3.285 ( 0.932 0.000 -0.441) 1.031 3.291 ( -0.215 0.000 0.733) 0.764 3.368 ( 2.832 0.000 0.952) 2.988 3.374 ( 6.419 0.000 1.534) 6.600 3.593 ( 1.494 0.000 1.982) 2.482 3.764 ( 0.192 0.000 -0.512) 0.547 3.804 ( -1.576 0.000 -2.369) 2.845 4.675 ( 2.400 0.000 0.461) 2.444 4.689 ( -0.896 0.000 -0.185) 0.915 4.709 ( 2.179 0.000 0.810) 2.325 4.711 ( 1.282 0.000 -0.993) 1.622 4.792 ( 0.379 0.000 0.894) 0.971 4.835 ( 0.285 0.000 1.764) 1.787 4.850 ( -1.134 0.000 -2.046) 2.339 4.913 ( -0.955 0.000 -1.643) 1.900 4.986 ( 0.446 0.000 -0.402) 0.600 5.002 ( 0.634 0.000 -0.283) 0.694 5.040 ( 9.580 0.000 0.519) 9.594 5.046 ( 0.357 0.000 -0.594) 0.693 5.197 ( 0.420 0.000 1.929) 1.974 5.230 ( -1.275 0.000 0.266) 1.302 5.237 ( 0.049 0.000 1.587) 1.588 5.305 ( 1.378 0.000 1.367) 1.941 5.333 ( 3.408 0.000 -2.463) 4.204 5.429 ( 1.152 0.000 0.373) 1.211 5.432 ( 2.690 0.000 0.965) 2.858 5.629 ( -20.158 0.000 -1.378) 20.205 5.666 ( -1.289 0.000 -0.144) 1.297 5.694 ( 4.625 0.000 0.397) 4.642 5.698 ( 1.956 0.000 1.092) 2.240 5.788 ( -8.856 0.000 -3.544) 9.539 5.870 ( -1.643 0.000 -2.006) 2.593 5.993 ( -4.897 0.000 -1.011) 5.000 6.031 ( -6.831 0.000 -2.391) 7.237 6.274 ( -4.782 0.000 -16.769) 17.438 7.377 ( -10.906 0.000 1.805) 11.054 7.384 ( -4.122 0.000 2.436) 4.788 7.730 ( 1.989 0.000 -2.405) 3.121 7.756 ( 1.270 0.000 -2.602) 2.895 7.961 ( -0.248 0.000 0.678) 0.722 8.005 ( -0.904 0.000 1.261) 1.552 8.188 ( 1.726 0.000 2.472) 3.015 8.216 ( 3.892 0.000 0.031) 3.892 8.603 ( -0.149 0.000 -1.383) 1.391 8.605 ( 0.407 0.000 -1.722) 1.770 8.710 ( -2.722 0.000 0.738) 2.820 8.749 ( -0.592 0.000 -0.594) 0.838 8.826 ( 2.678 0.000 6.700) 7.216 8.847 ( -0.947 0.000 -0.886) 1.296 8.867 ( 0.377 0.000 1.594) 1.638 8.888 ( 0.609 0.000 4.880) 4.918 9.004 ( 0.929 0.000 -0.021) 0.929 9.019 ( 2.061 0.000 1.745) 2.700 9.166 ( 14.702 0.000 2.904) 14.986 9.198 ( 3.710 0.000 0.333) 3.725 9.256 ( -0.642 0.000 0.965) 1.159 9.263 ( 1.294 0.000 0.670) 1.457 9.271 ( 0.066 0.000 2.786) 2.787 9.543 ( 18.178 0.000 0.072) 18.178 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 12.522 0.000 13.184) 18.183 0.904 ( 11.627 0.000 18.696) 22.016 1.008 ( -5.357 0.000 -1.293) 5.511 1.026 ( 4.026 0.000 2.570) 4.776 1.076 ( 4.937 0.000 -0.226) 4.942 1.197 ( -2.573 0.000 1.107) 2.801 1.279 ( 18.894 0.000 25.601) 31.819 1.554 ( 4.775 0.000 5.997) 7.666 1.571 ( 0.803 0.000 -0.583) 0.992 1.730 ( -2.846 0.000 -1.407) 3.175 1.793 ( -6.203 0.000 -1.426) 6.365 1.861 ( 1.204 0.000 -3.789) 3.976 1.874 ( 2.023 0.000 -1.258) 2.382 1.881 ( 2.199 0.000 -1.812) 2.849 1.901 ( -6.721 0.000 -3.150) 7.423 1.984 ( -2.784 0.000 -2.225) 3.564 1.990 ( 0.870 0.000 0.200) 0.892 2.049 ( -0.266 0.000 -4.282) 4.290 2.091 ( 0.603 0.000 -1.032) 1.195 2.106 ( -3.013 0.000 -2.890) 4.175 2.120 ( 0.855 0.000 0.916) 1.253 2.163 ( -1.781 0.000 -3.676) 4.085 2.183 ( -1.360 0.000 -2.298) 2.670 2.230 ( -2.329 0.000 0.882) 2.491 2.274 ( -1.214 0.000 -0.569) 1.341 2.293 ( -0.831 0.000 2.026) 2.190 2.310 ( 0.075 0.000 0.772) 0.775 2.310 ( -1.086 0.000 -0.631) 1.256 2.320 ( -0.157 0.000 0.984) 0.996 2.349 ( -0.392 0.000 1.501) 1.552 2.374 ( 2.614 0.000 0.564) 2.675 2.405 ( 1.976 0.000 2.315) 3.043 2.461 ( 1.719 0.000 4.969) 5.258 2.485 ( 4.036 0.000 2.440) 4.716 2.490 ( -1.292 0.000 -1.978) 2.362 2.497 ( 4.094 0.000 -0.434) 4.117 2.544 ( 3.858 0.000 4.353) 5.817 2.565 ( -1.643 0.000 3.322) 3.707 2.607 ( -1.063 0.000 -1.201) 1.604 2.609 ( 0.155 0.000 5.307) 5.310 2.659 ( 3.708 0.000 2.590) 4.523 2.742 ( -2.456 0.000 0.897) 2.614 2.772 ( 1.037 0.000 -0.541) 1.170 2.941 ( 1.543 0.000 2.498) 2.936 2.993 ( -0.245 0.000 -3.513) 3.521 3.031 ( -2.542 0.000 4.893) 5.514 3.186 ( -1.973 0.000 -3.382) 3.916 3.186 ( 0.566 0.000 -5.268) 5.298 3.231 ( -0.437 0.000 -1.142) 1.223 3.317 ( 1.886 0.000 1.077) 2.172 3.327 ( 1.530 0.000 2.418) 2.862 3.410 ( -0.995 0.000 5.487) 5.576 3.432 ( -1.557 0.000 0.876) 1.787 3.527 ( -10.137 0.000 -1.683) 10.275 3.795 ( 3.414 0.000 -1.703) 3.815 3.821 ( 5.485 0.000 -0.970) 5.570 4.662 ( -1.363 0.000 -0.327) 1.401 4.667 ( -1.889 0.000 -0.798) 2.051 4.699 ( -1.838 0.000 -0.981) 2.083 4.732 ( -0.378 0.000 -1.453) 1.501 4.822 ( 1.540 0.000 1.820) 2.384 4.826 ( 0.085 0.000 1.267) 1.270 4.876 ( 2.406 0.000 1.369) 2.769 4.877 ( -0.595 0.000 -1.331) 1.458 4.993 ( -0.691 0.000 -1.387) 1.549 5.000 ( 0.960 0.000 -0.405) 1.042 5.071 ( 1.889 0.000 0.453) 1.943 5.172 ( -3.776 0.000 1.231) 3.971 5.176 ( 1.542 0.000 -4.379) 4.643 5.253 ( 4.936 0.000 1.165) 5.072 5.278 ( -0.135 0.000 4.420) 4.422 5.294 ( -0.150 0.000 0.227) 0.272 5.302 ( -2.278 0.000 0.003) 2.278 5.394 ( -0.001 0.000 0.765) 0.765 5.524 ( 2.030 0.000 2.488) 3.211 5.569 ( -2.973 0.000 1.637) 3.394 5.612 ( -0.464 0.000 -0.157) 0.490 5.616 ( -1.873 0.000 -1.614) 2.473 5.780 ( 3.102 0.000 1.322) 3.372 5.813 ( 4.784 0.000 -2.191) 5.261 5.822 ( -0.806 0.000 -3.759) 3.844 5.905 ( -2.648 0.000 -3.324) 4.250 5.958 ( -0.982 0.000 -2.025) 2.251 5.984 ( -10.427 0.000 -13.617) 17.151 7.376 ( 3.295 0.000 0.915) 3.420 7.392 ( 2.545 0.000 0.641) 2.625 7.761 ( 3.026 0.000 -1.715) 3.478 7.772 ( 2.348 0.000 -2.263) 3.261 7.976 ( 0.544 0.000 1.741) 1.824 7.992 ( -1.281 0.000 0.560) 1.398 8.204 ( -1.399 0.000 1.883) 2.346 8.222 ( -1.943 0.000 0.354) 1.975 8.593 ( -0.375 0.000 -1.589) 1.633 8.595 ( 0.190 0.000 -1.687) 1.698 8.676 ( -1.723 0.000 1.281) 2.147 8.722 ( -2.298 0.000 0.581) 2.370 8.853 ( 1.772 0.000 0.797) 1.943 8.882 ( 0.766 0.000 2.291) 2.415 8.938 ( 2.036 0.000 4.093) 4.571 8.960 ( 3.745 0.000 4.769) 6.064 9.008 ( -0.381 0.000 0.424) 0.570 9.072 ( 1.072 0.000 3.346) 3.514 9.244 ( -1.145 0.000 0.009) 1.145 9.245 ( -1.498 0.000 0.722) 1.663 9.274 ( 3.914 0.000 0.609) 3.961 9.296 ( 1.441 0.000 0.647) 1.580 9.378 ( 5.383 0.000 3.637) 6.496 9.667 ( 0.958 0.000 -2.664) 2.831 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 6.351 0.000 3.288) 7.152 0.999 ( 19.802 0.000 2.443) 19.953 1.180 ( 13.466 0.000 -4.333) 14.146 1.220 ( 12.237 0.000 -1.441) 12.321 1.242 ( 5.766 0.000 3.877) 6.948 1.309 ( 12.871 0.000 11.374) 17.176 1.589 ( 1.457 0.000 -3.716) 3.992 1.627 ( 0.021 0.000 -0.868) 0.868 1.635 ( -6.502 0.000 -3.460) 7.366 1.698 ( -1.412 0.000 -2.829) 3.162 1.740 ( 9.803 0.000 5.818) 11.399 1.794 ( 0.134 0.000 -0.924) 0.934 1.843 ( 0.670 0.000 -2.879) 2.956 1.882 ( -5.716 0.000 -3.853) 6.893 1.887 ( 1.974 0.000 -0.563) 2.053 1.906 ( 0.857 0.000 -3.934) 4.027 1.951 ( -1.870 0.000 -1.104) 2.172 1.986 ( -3.259 0.000 -1.760) 3.704 2.050 ( 1.280 0.000 1.636) 2.077 2.061 ( -0.931 0.000 -3.345) 3.472 2.117 ( -2.182 0.000 -2.474) 3.299 2.129 ( -3.033 0.000 0.432) 3.063 2.172 ( 1.686 0.000 -2.216) 2.785 2.173 ( 1.731 0.000 3.284) 3.712 2.230 ( -5.107 0.000 -0.325) 5.117 2.251 ( -0.926 0.000 -2.617) 2.776 2.259 ( -3.354 0.000 -2.532) 4.202 2.296 ( -1.364 0.000 -3.880) 4.113 2.335 ( -0.616 0.000 -0.959) 1.140 2.376 ( 2.387 0.000 -0.655) 2.475 2.381 ( -1.961 0.000 6.688) 6.970 2.407 ( -2.009 0.000 1.172) 2.326 2.442 ( -0.982 0.000 -5.950) 6.031 2.502 ( 1.510 0.000 -3.454) 3.770 2.560 ( 2.735 0.000 5.491) 6.134 2.593 ( 0.704 0.000 1.087) 1.295 2.598 ( 0.494 0.000 1.399) 1.483 2.626 ( 0.380 0.000 4.385) 4.402 2.664 ( 2.154 0.000 6.144) 6.510 2.703 ( 7.786 0.000 6.155) 9.925 2.726 ( -0.117 0.000 3.578) 3.580 2.773 ( 6.671 0.000 5.074) 8.381 2.778 ( 1.119 0.000 -2.385) 2.634 2.939 ( -3.291 0.000 2.502) 4.134 2.997 ( 2.162 0.000 -1.264) 2.505 3.000 ( -4.458 0.000 1.437) 4.684 3.126 ( -2.000 0.000 -2.836) 3.470 3.160 ( 0.529 0.000 -3.998) 4.032 3.219 ( 0.019 0.000 -0.890) 0.890 3.233 ( -17.815 0.000 -2.847) 18.041 3.335 ( -6.248 0.000 0.666) 6.284 3.374 ( 0.823 0.000 4.723) 4.795 3.388 ( -6.716 0.000 5.186) 8.486 3.391 ( 1.238 0.000 1.123) 1.672 3.847 ( 3.869 0.000 -1.972) 4.343 3.936 ( 6.054 0.000 0.218) 6.058 4.629 ( -1.388 0.000 -0.453) 1.460 4.644 ( -0.420 0.000 -0.262) 0.495 4.650 ( -2.192 0.000 -0.428) 2.234 4.699 ( -0.911 0.000 -1.678) 1.909 4.835 ( -0.825 0.000 0.723) 1.097 4.842 ( -0.252 0.000 -1.116) 1.144 4.890 ( 1.573 0.000 1.272) 2.023 4.937 ( 2.540 0.000 0.973) 2.720 4.975 ( -0.050 0.000 -0.076) 0.091 5.007 ( 0.082 0.000 0.352) 0.361 5.098 ( -1.709 0.000 1.188) 2.081 5.106 ( -0.918 0.000 -1.260) 1.558 5.161 ( 0.553 0.000 -1.624) 1.715 5.275 ( 0.060 0.000 -1.249) 1.250 5.279 ( -2.337 0.000 1.960) 3.050 5.312 ( 0.584 0.000 1.549) 1.656 5.332 ( 2.063 0.000 -1.624) 2.625 5.381 ( -1.542 0.000 -0.459) 1.609 5.436 ( -6.409 0.000 -0.868) 6.468 5.520 ( -1.125 0.000 0.547) 1.251 5.604 ( -1.853 0.000 -8.258) 8.463 5.652 ( 1.941 0.000 -1.854) 2.684 5.756 ( -2.384 0.000 0.065) 2.385 5.796 ( 0.704 0.000 0.502) 0.865 5.844 ( 1.863 0.000 -4.286) 4.674 5.869 ( 0.478 0.000 1.171) 1.264 5.880 ( 1.347 0.000 2.906) 3.203 5.970 ( 1.668 0.000 2.306) 2.846 7.446 ( 3.738 0.000 -0.225) 3.744 7.454 ( 3.752 0.000 -0.367) 3.770 7.803 ( 2.677 0.000 -1.874) 3.268 7.805 ( 2.886 0.000 -1.474) 3.241 7.970 ( -1.075 0.000 -0.352) 1.132 7.994 ( 0.085 0.000 0.703) 0.708 8.173 ( -3.614 0.000 0.868) 3.717 8.179 ( -2.518 0.000 1.586) 2.976 8.574 ( -0.453 0.000 -0.840) 0.954 8.592 ( 0.724 0.000 -1.100) 1.317 8.658 ( -1.508 0.000 1.771) 2.326 8.688 ( -2.032 0.000 1.528) 2.542 8.899 ( -0.163 0.000 0.620) 0.641 8.908 ( 3.232 0.000 0.038) 3.232 9.001 ( -0.277 0.000 -0.160) 0.319 9.008 ( 1.307 0.000 4.302) 4.496 9.028 ( 2.190 0.000 -1.041) 2.425 9.104 ( -0.172 0.000 2.731) 2.736 9.198 ( -3.820 0.000 0.058) 3.820 9.206 ( -2.836 0.000 -0.373) 2.861 9.318 ( 0.594 0.000 0.401) 0.717 9.337 ( 2.956 0.000 -1.116) 3.159 9.461 ( 2.712 0.000 -0.614) 2.781 9.628 ( -2.395 0.000 -2.455) 3.430 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 7.037 0.000 4.750) 8.490 1.301 ( 10.664 0.000 -3.120) 11.111 1.371 ( 9.591 0.000 0.677) 9.615 1.405 ( -0.901 0.000 -3.358) 3.476 1.454 ( 5.528 0.000 -2.487) 6.061 1.477 ( 15.291 0.000 1.790) 15.395 1.550 ( 2.797 0.000 2.544) 3.781 1.568 ( -2.816 0.000 -2.494) 3.762 1.637 ( 4.802 0.000 -4.135) 6.337 1.641 ( -6.312 0.000 -3.882) 7.410 1.698 ( -1.272 0.000 -5.732) 5.872 1.778 ( 1.980 0.000 -9.674) 9.875 1.807 ( 3.209 0.000 2.088) 3.828 1.866 ( -0.850 0.000 -5.675) 5.738 1.872 ( 2.514 0.000 -2.128) 3.294 1.905 ( 3.315 0.000 -2.202) 3.980 1.930 ( -1.973 0.000 -3.628) 4.129 1.971 ( 2.528 0.000 1.902) 3.164 2.011 ( -2.034 0.000 -3.201) 3.792 2.049 ( -2.940 0.000 -2.054) 3.587 2.082 ( -2.696 0.000 2.042) 3.382 2.104 ( -3.061 0.000 -1.635) 3.470 2.145 ( -0.321 0.000 -8.699) 8.705 2.152 ( 1.535 0.000 4.306) 4.571 2.194 ( -1.785 0.000 1.438) 2.292 2.232 ( -1.605 0.000 -5.050) 5.299 2.236 ( 1.502 0.000 -3.591) 3.893 2.287 ( -3.062 0.000 0.098) 3.064 2.362 ( -1.205 0.000 -1.322) 1.789 2.364 ( -4.277 0.000 -0.167) 4.280 2.378 ( 0.512 0.000 -6.513) 6.533 2.391 ( 6.907 0.000 6.500) 9.485 2.405 ( 0.357 0.000 -1.523) 1.564 2.486 ( 1.085 0.000 -4.515) 4.643 2.579 ( -0.161 0.000 4.231) 4.234 2.604 ( 0.035 0.000 0.308) 0.310 2.657 ( -2.516 0.000 3.238) 4.100 2.711 ( 2.797 0.000 6.323) 6.914 2.725 ( 2.055 0.000 2.897) 3.552 2.746 ( 0.641 0.000 -1.110) 1.281 2.768 ( 1.821 0.000 3.316) 3.783 2.820 ( 0.301 0.000 0.216) 0.370 2.828 ( -19.754 0.000 -1.529) 19.813 2.874 ( -4.685 0.000 -2.188) 5.171 2.935 ( 0.325 0.000 4.966) 4.977 2.947 ( 1.872 0.000 3.141) 3.656 3.037 ( 2.348 0.000 0.845) 2.495 3.079 ( -2.861 0.000 -3.446) 4.478 3.141 ( -0.693 0.000 -1.588) 1.733 3.212 ( 0.377 0.000 -2.241) 2.272 3.222 ( -3.475 0.000 2.144) 4.084 3.251 ( -9.707 0.000 2.145) 9.941 3.422 ( -0.641 0.000 6.627) 6.658 3.447 ( 1.586 0.000 3.814) 4.131 3.900 ( 2.649 0.000 -0.610) 2.719 4.010 ( 1.736 0.000 -0.670) 1.861 4.604 ( -0.672 0.000 -0.945) 1.160 4.632 ( -0.262 0.000 -1.420) 1.444 4.640 ( 0.351 0.000 1.903) 1.935 4.698 ( 1.047 0.000 1.362) 1.718 4.811 ( -1.173 0.000 -1.366) 1.801 4.816 ( -0.670 0.000 -2.405) 2.497 4.918 ( 0.466 0.000 1.051) 1.149 4.948 ( -0.752 0.000 0.760) 1.069 5.012 ( 2.256 0.000 0.630) 2.342 5.017 ( 0.274 0.000 1.432) 1.458 5.043 ( -2.436 0.000 -0.513) 2.489 5.109 ( 0.464 0.000 -2.117) 2.167 5.178 ( 0.998 0.000 0.393) 1.072 5.231 ( -3.138 0.000 1.301) 3.397 5.263 ( 0.677 0.000 -3.384) 3.451 5.300 ( -1.481 0.000 -3.351) 3.664 5.337 ( 1.310 0.000 -1.038) 1.671 5.345 ( -1.654 0.000 -0.285) 1.679 5.363 ( -1.234 0.000 -3.382) 3.600 5.438 ( -3.413 0.000 -6.314) 7.177 5.577 ( 1.849 0.000 -0.613) 1.948 5.653 ( 1.007 0.000 -2.800) 2.976 5.734 ( 0.002 0.000 0.527) 0.527 5.858 ( 0.758 0.000 7.679) 7.716 5.858 ( 2.362 0.000 -1.923) 3.046 5.921 ( 0.228 0.000 3.509) 3.517 5.928 ( 2.211 0.000 6.805) 7.155 6.024 ( 1.128 0.000 4.228) 4.376 7.503 ( 2.631 0.000 0.006) 2.631 7.516 ( 2.990 0.000 0.271) 3.002 7.828 ( 1.265 0.000 -2.134) 2.481 7.834 ( 1.299 0.000 -1.505) 1.988 7.960 ( 0.680 0.000 -0.101) 0.687 7.985 ( -0.549 0.000 -1.418) 1.520 8.116 ( -2.924 0.000 0.411) 2.953 8.144 ( -2.342 0.000 0.953) 2.528 8.567 ( 0.216 0.000 -0.182) 0.283 8.603 ( 0.861 0.000 -0.080) 0.865 8.652 ( -0.949 0.000 2.628) 2.794 8.678 ( -0.637 0.000 2.516) 2.595 8.885 ( -0.908 0.000 -1.666) 1.897 8.942 ( 0.792 0.000 -1.858) 2.020 8.993 ( -2.698 0.000 -1.787) 3.236 9.009 ( 1.938 0.000 -2.024) 2.802 9.049 ( -1.951 0.000 -1.865) 2.699 9.109 ( 1.445 0.000 -0.987) 1.750 9.112 ( -4.985 0.000 -0.462) 5.006 9.160 ( -1.705 0.000 0.852) 1.906 9.328 ( 0.300 0.000 0.167) 0.344 9.360 ( 1.298 0.000 -2.942) 3.216 9.471 ( 0.722 0.000 -5.120) 5.170 9.552 ( -2.972 0.000 -4.084) 5.051 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -12.432 0.000 -4.730) 13.302 1.264 ( -16.290 0.000 -9.538) 18.877 1.336 ( -4.118 0.000 0.919) 4.219 1.349 ( -11.612 0.000 1.974) 11.779 1.515 ( 9.753 0.000 3.252) 10.281 1.556 ( -0.786 0.000 -9.652) 9.684 1.588 ( 1.976 0.000 2.562) 3.235 1.606 ( -1.003 0.000 0.570) 1.154 1.636 ( 5.617 0.000 -1.418) 5.793 1.742 ( 6.023 0.000 2.353) 6.467 1.786 ( -0.047 0.000 -6.817) 6.817 1.828 ( -7.952 0.000 4.163) 8.976 1.848 ( 11.253 0.000 0.068) 11.253 1.858 ( 9.740 0.000 -3.320) 10.290 1.875 ( 1.242 0.000 -1.811) 2.196 1.899 ( 0.742 0.000 -1.401) 1.586 1.940 ( -0.858 0.000 -7.520) 7.569 1.941 ( 4.183 0.000 -1.819) 4.562 2.022 ( 0.741 0.000 -3.445) 3.524 2.051 ( 0.981 0.000 2.587) 2.767 2.066 ( 3.295 0.000 -1.010) 3.446 2.096 ( 1.303 0.000 -3.266) 3.516 2.112 ( 2.810 0.000 -2.252) 3.601 2.124 ( -9.953 0.000 0.630) 9.973 2.176 ( -0.502 0.000 -1.529) 1.609 2.209 ( 1.627 0.000 0.001) 1.627 2.233 ( 0.488 0.000 -3.418) 3.453 2.237 ( -0.544 0.000 4.129) 4.164 2.266 ( 1.253 0.000 -0.651) 1.412 2.328 ( 0.861 0.000 -7.119) 7.171 2.353 ( -0.309 0.000 -4.812) 4.822 2.391 ( 1.513 0.000 -2.341) 2.788 2.420 ( -1.784 0.000 1.244) 2.175 2.468 ( -0.618 0.000 -1.747) 1.853 2.489 ( -7.047 0.000 -3.348) 7.802 2.584 ( -1.903 0.000 -0.629) 2.004 2.590 ( -5.077 0.000 0.865) 5.150 2.640 ( -7.531 0.000 -1.660) 7.712 2.683 ( -1.557 0.000 1.522) 2.177 2.684 ( -3.856 0.000 -1.209) 4.041 2.772 ( -2.027 0.000 4.379) 4.826 2.782 ( -2.341 0.000 -3.038) 3.836 2.843 ( -7.990 0.000 -1.759) 8.182 2.850 ( -2.660 0.000 0.974) 2.833 2.906 ( -2.274 0.000 1.195) 2.569 3.025 ( 14.487 0.000 5.125) 15.366 3.066 ( -1.259 0.000 1.164) 1.714 3.103 ( 4.716 0.000 -1.200) 4.867 3.135 ( 2.675 0.000 -1.607) 3.121 3.164 ( 0.262 0.000 0.083) 0.275 3.202 ( 0.667 0.000 -3.232) 3.300 3.249 ( 2.536 0.000 3.086) 3.994 3.441 ( -3.358 0.000 7.308) 8.043 3.490 ( -0.853 0.000 5.132) 5.202 3.920 ( -0.421 0.000 -0.151) 0.447 3.990 ( -2.589 0.000 -1.345) 2.918 4.599 ( 0.889 0.000 -0.869) 1.243 4.621 ( 0.456 0.000 -1.473) 1.542 4.669 ( 0.556 0.000 2.293) 2.359 4.742 ( 1.249 0.000 2.701) 2.976 4.780 ( -0.350 0.000 -2.075) 2.105 4.789 ( -0.194 0.000 -2.575) 2.582 4.934 ( -1.363 0.000 -0.315) 1.399 4.934 ( 0.326 0.000 1.378) 1.416 5.013 ( -0.205 0.000 0.276) 0.344 5.035 ( 0.368 0.000 1.729) 1.768 5.042 ( 0.733 0.000 -0.538) 0.909 5.094 ( 0.027 0.000 -1.813) 1.813 5.149 ( -2.764 0.000 -1.864) 3.334 5.201 ( -1.022 0.000 -0.101) 1.027 5.274 ( 1.135 0.000 -4.306) 4.453 5.294 ( 0.641 0.000 -2.023) 2.122 5.304 ( 2.639 0.000 -4.640) 5.338 5.331 ( 0.643 0.000 -0.911) 1.115 5.338 ( 1.793 0.000 -4.358) 4.713 5.356 ( -2.254 0.000 -2.212) 3.158 5.599 ( 0.697 0.000 -0.396) 0.802 5.667 ( 2.072 0.000 -0.463) 2.124 5.763 ( 1.898 0.000 0.317) 1.924 5.896 ( 2.370 0.000 0.298) 2.389 5.915 ( -0.410 0.000 4.021) 4.042 5.969 ( 2.011 0.000 8.749) 8.978 6.034 ( 2.000 0.000 8.987) 9.207 6.076 ( 0.705 0.000 5.995) 6.037 7.547 ( 1.654 0.000 2.334) 2.861 7.565 ( 1.151 0.000 2.429) 2.688 7.814 ( -0.407 0.000 -2.665) 2.696 7.819 ( -1.240 0.000 -2.839) 3.098 7.970 ( 0.311 0.000 -1.019) 1.066 7.989 ( 1.158 0.000 1.214) 1.678 8.092 ( 0.961 0.000 -0.026) 0.962 8.110 ( -1.499 0.000 -0.829) 1.713 8.581 ( 1.211 0.000 0.609) 1.355 8.621 ( 0.619 0.000 0.991) 1.169 8.667 ( -0.058 0.000 3.593) 3.594 8.702 ( 0.521 0.000 3.793) 3.828 8.843 ( -1.597 0.000 -3.488) 3.836 8.912 ( -3.401 0.000 -3.647) 4.987 8.913 ( -1.931 0.000 -4.089) 4.522 8.954 ( -3.628 0.000 -5.252) 6.383 8.986 ( -2.040 0.000 -2.798) 3.463 9.062 ( 0.809 0.000 -2.524) 2.651 9.106 ( -1.541 0.000 -1.097) 1.891 9.169 ( 1.789 0.000 0.220) 1.802 9.330 ( -0.023 0.000 -0.619) 0.620 9.340 ( -0.578 0.000 -4.075) 4.115 9.401 ( -2.583 0.000 -8.579) 8.960 9.474 ( -0.959 0.000 -6.947) 7.013 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -18.116 0.000 -6.431) 19.223 0.806 ( -22.263 0.000 -12.816) 25.688 1.235 ( -5.670 0.000 9.692) 11.229 1.315 ( -1.589 0.000 4.639) 4.904 1.412 ( -11.684 0.000 1.018) 11.728 1.489 ( -9.662 0.000 4.183) 10.529 1.494 ( -13.276 0.000 2.834) 13.575 1.522 ( -26.654 0.000 9.210) 28.200 1.625 ( -2.671 0.000 -3.876) 4.707 1.744 ( 3.650 0.000 -2.226) 4.275 1.752 ( 7.208 0.000 -2.780) 7.725 1.829 ( 3.771 0.000 1.525) 4.068 1.859 ( -0.076 0.000 -3.672) 3.673 1.883 ( 1.522 0.000 2.419) 2.858 1.892 ( 0.557 0.000 -2.432) 2.495 1.899 ( 0.637 0.000 -2.218) 2.308 1.977 ( 2.498 0.000 1.065) 2.716 2.042 ( 5.796 0.000 -1.112) 5.901 2.057 ( 2.378 0.000 1.443) 2.782 2.075 ( 6.009 0.000 -4.574) 7.551 2.122 ( 0.842 0.000 0.346) 0.910 2.160 ( 1.744 0.000 2.579) 3.113 2.193 ( 8.356 0.000 -3.025) 8.887 2.198 ( 5.470 0.000 1.518) 5.677 2.207 ( 3.521 0.000 -1.820) 3.964 2.245 ( -1.019 0.000 -4.459) 4.574 2.248 ( -3.347 0.000 -2.024) 3.912 2.254 ( 3.041 0.000 -1.565) 3.420 2.285 ( 5.732 0.000 -2.676) 6.326 2.298 ( 4.004 0.000 1.208) 4.182 2.341 ( 1.232 0.000 -2.415) 2.711 2.364 ( 0.390 0.000 -5.544) 5.558 2.383 ( -1.763 0.000 -2.400) 2.978 2.416 ( -0.322 0.000 -0.699) 0.770 2.476 ( 0.316 0.000 1.200) 1.241 2.482 ( -4.822 0.000 -0.572) 4.856 2.500 ( -3.376 0.000 -1.874) 3.861 2.516 ( -4.002 0.000 0.723) 4.067 2.602 ( -2.903 0.000 1.185) 3.135 2.623 ( -4.633 0.000 -2.024) 5.056 2.704 ( -1.445 0.000 -2.741) 3.099 2.758 ( -3.639 0.000 3.582) 5.106 2.762 ( -2.343 0.000 -1.496) 2.780 2.793 ( 0.332 0.000 1.135) 1.182 2.907 ( -1.800 0.000 -0.499) 1.868 3.035 ( -0.372 0.000 -1.274) 1.328 3.154 ( 2.749 0.000 -0.321) 2.768 3.179 ( 4.024 0.000 -2.779) 4.890 3.184 ( 0.823 0.000 -2.555) 2.684 3.226 ( 4.120 0.000 -0.520) 4.153 3.235 ( 4.766 0.000 -2.372) 5.324 3.369 ( 7.766 0.000 2.135) 8.054 3.408 ( -5.722 0.000 5.971) 8.270 3.493 ( -2.299 0.000 4.736) 5.264 3.881 ( -3.287 0.000 -0.762) 3.374 3.921 ( -3.629 0.000 -0.441) 3.656 4.619 ( 2.085 0.000 -1.355) 2.486 4.629 ( 1.535 0.000 -1.204) 1.950 4.687 ( 0.244 0.000 0.827) 0.863 4.734 ( -1.242 0.000 -1.194) 1.723 4.774 ( 0.311 0.000 -1.138) 1.179 4.805 ( 1.378 0.000 2.166) 2.568 4.897 ( -1.761 0.000 -0.748) 1.913 4.939 ( -0.950 0.000 1.006) 1.384 5.036 ( -0.122 0.000 -0.367) 0.387 5.037 ( 1.307 0.000 -0.959) 1.621 5.049 ( -0.563 0.000 0.766) 0.951 5.076 ( -2.900 0.000 -3.477) 4.527 5.101 ( 2.166 0.000 0.418) 2.206 5.175 ( -1.126 0.000 -1.353) 1.760 5.249 ( 0.088 0.000 -2.134) 2.136 5.272 ( 2.074 0.000 -5.072) 5.479 5.308 ( -1.541 0.000 -1.874) 2.427 5.324 ( 1.362 0.000 -1.476) 2.008 5.367 ( 4.003 0.000 -2.254) 4.594 5.419 ( 7.752 0.000 -1.119) 7.832 5.600 ( -0.069 0.000 -0.098) 0.120 5.717 ( 2.937 0.000 0.948) 3.087 5.776 ( -0.822 0.000 0.031) 0.822 5.919 ( -1.075 0.000 1.894) 2.177 5.944 ( 2.203 0.000 0.892) 2.377 6.091 ( -1.307 0.000 5.409) 5.565 6.134 ( 8.905 0.000 6.022) 10.750 6.177 ( 2.601 0.000 11.110) 11.411 7.582 ( -3.014 0.000 4.708) 5.590 7.623 ( 3.356 0.000 8.277) 8.931 7.763 ( -1.426 0.000 -3.778) 4.038 7.788 ( -0.109 0.000 -1.996) 1.999 7.982 ( 0.382 0.000 1.690) 1.733 8.004 ( -0.258 0.000 1.507) 1.529 8.079 ( 0.454 0.000 -3.711) 3.739 8.152 ( 4.350 0.000 0.302) 4.361 8.621 ( 2.101 0.000 1.161) 2.400 8.629 ( -0.680 0.000 0.493) 0.840 8.695 ( -0.731 0.000 3.653) 3.726 8.751 ( 0.877 0.000 4.680) 4.762 8.781 ( -1.540 0.000 -3.134) 3.492 8.810 ( -3.292 0.000 -6.653) 7.423 8.829 ( -2.074 0.000 -3.368) 3.956 8.880 ( -1.088 0.000 -2.526) 2.750 8.961 ( 0.892 0.000 -1.680) 1.902 9.026 ( -1.834 0.000 -8.235) 8.437 9.056 ( -2.300 0.000 -2.065) 3.091 9.203 ( 1.734 0.000 0.029) 1.734 9.259 ( -2.634 0.000 -9.563) 9.919 9.301 ( -2.419 0.000 -2.460) 3.451 9.312 ( -1.167 0.000 -1.324) 1.765 9.399 ( -0.434 0.000 -9.742) 9.751 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -14.852 0.000 8.578) 17.151 0.401 ( -15.833 0.000 8.218) 17.839 0.953 ( -36.037 0.000 20.458) 41.439 1.170 ( -10.024 0.000 7.361) 12.436 1.238 ( -14.487 0.000 6.822) 16.013 1.341 ( -2.523 0.000 5.110) 5.699 1.415 ( -0.589 0.000 1.185) 1.324 1.457 ( 1.073 0.000 6.197) 6.289 1.525 ( -5.501 0.000 -1.588) 5.726 1.779 ( -5.263 0.000 -1.109) 5.378 1.780 ( 2.474 0.000 -2.506) 3.521 1.855 ( 3.923 0.000 -3.429) 5.210 1.859 ( -2.504 0.000 3.124) 4.004 1.887 ( 1.594 0.000 1.853) 2.445 1.902 ( -0.344 0.000 -1.438) 1.479 1.946 ( 5.374 0.000 -1.798) 5.667 1.987 ( -4.868 0.000 4.018) 6.312 2.041 ( -1.634 0.000 0.987) 1.909 2.062 ( 1.140 0.000 0.532) 1.258 2.136 ( 0.335 0.000 -2.933) 2.952 2.137 ( 1.220 0.000 -0.091) 1.223 2.168 ( 2.917 0.000 -3.711) 4.720 2.178 ( 1.527 0.000 -4.723) 4.963 2.200 ( -1.365 0.000 -0.936) 1.655 2.229 ( 0.586 0.000 1.370) 1.490 2.288 ( 2.585 0.000 -3.914) 4.690 2.293 ( 1.165 0.000 -0.913) 1.480 2.326 ( 3.434 0.000 3.106) 4.631 2.330 ( 0.059 0.000 -0.484) 0.487 2.345 ( 2.558 0.000 -0.948) 2.728 2.367 ( 3.820 0.000 -3.471) 5.161 2.387 ( -0.100 0.000 -0.998) 1.003 2.410 ( 3.075 0.000 -0.388) 3.100 2.411 ( -0.048 0.000 1.092) 1.093 2.444 ( 2.961 0.000 -3.548) 4.621 2.457 ( 3.489 0.000 -0.671) 3.553 2.494 ( 2.328 0.000 1.376) 2.704 2.519 ( -0.433 0.000 -0.425) 0.607 2.573 ( -1.744 0.000 1.302) 2.176 2.588 ( -0.936 0.000 2.354) 2.533 2.684 ( -5.045 0.000 1.560) 5.280 2.726 ( 3.914 0.000 4.588) 6.031 2.740 ( -0.039 0.000 -0.305) 0.307 2.841 ( 5.192 0.000 6.325) 8.183 2.864 ( -1.136 0.000 -0.583) 1.277 3.042 ( 0.923 0.000 -0.117) 0.930 3.181 ( 2.419 0.000 -3.119) 3.947 3.209 ( 3.613 0.000 0.216) 3.620 3.243 ( 2.420 0.000 -1.284) 2.740 3.247 ( 0.418 0.000 -3.580) 3.605 3.286 ( 3.468 0.000 -1.347) 3.720 3.341 ( -4.044 0.000 2.325) 4.665 3.395 ( -4.041 0.000 0.914) 4.143 3.552 ( 3.883 0.000 0.040) 3.883 3.805 ( -3.680 0.000 -0.828) 3.772 3.860 ( -2.970 0.000 -0.391) 2.996 4.641 ( 1.056 0.000 -1.134) 1.550 4.658 ( 2.320 0.000 -0.387) 2.352 4.696 ( 0.854 0.000 -0.679) 1.091 4.710 ( -0.843 0.000 -0.236) 0.876 4.780 ( 0.495 0.000 0.097) 0.504 4.826 ( -0.386 0.000 1.336) 1.391 4.874 ( -0.183 0.000 -0.856) 0.875 4.931 ( 0.018 0.000 0.405) 0.405 4.983 ( -3.446 0.000 -2.140) 4.056 5.008 ( -0.986 0.000 -1.374) 1.691 5.032 ( -2.075 0.000 -0.328) 2.101 5.049 ( 0.328 0.000 -0.669) 0.745 5.164 ( 0.321 0.000 1.551) 1.584 5.190 ( 5.606 0.000 1.574) 5.823 5.249 ( -0.808 0.000 0.580) 0.994 5.270 ( -0.791 0.000 -1.660) 1.839 5.282 ( 3.956 0.000 -4.352) 5.881 5.362 ( 3.800 0.000 -0.841) 3.892 5.416 ( 1.678 0.000 -0.789) 1.854 5.562 ( 8.444 0.000 -0.846) 8.487 5.613 ( 2.150 0.000 0.222) 2.161 5.741 ( -2.816 0.000 0.173) 2.821 5.763 ( 1.071 0.000 -0.774) 1.321 5.906 ( -1.417 0.000 0.229) 1.435 5.970 ( 0.204 0.000 -2.408) 2.417 6.075 ( -4.118 0.000 2.833) 4.999 6.288 ( -0.243 0.000 0.593) 0.641 6.319 ( 8.528 0.000 -5.291) 10.036 7.501 ( -8.947 0.000 3.453) 9.590 7.728 ( 0.539 0.000 -3.226) 3.270 7.741 ( 1.389 0.000 -3.646) 3.902 7.874 ( 5.679 0.000 4.947) 7.531 7.978 ( -1.456 0.000 -0.132) 1.462 8.003 ( -1.685 0.000 -1.140) 2.034 8.110 ( 4.316 0.000 0.653) 4.365 8.124 ( -7.301 0.000 -13.009) 14.918 8.609 ( -0.298 0.000 -1.252) 1.287 8.641 ( -2.085 0.000 0.146) 2.090 8.676 ( 5.813 0.000 9.079) 10.781 8.757 ( -0.988 0.000 -2.412) 2.607 8.760 ( 0.696 0.000 1.506) 1.659 8.768 ( -1.208 0.000 -0.299) 1.245 8.834 ( 1.302 0.000 4.657) 4.835 8.864 ( -0.301 0.000 0.725) 0.784 8.886 ( -3.789 0.000 -2.409) 4.490 8.983 ( 2.085 0.000 -0.258) 2.101 9.005 ( -0.916 0.000 -1.858) 2.071 9.170 ( 0.033 0.000 -5.381) 5.381 9.233 ( 1.300 0.000 0.624) 1.442 9.259 ( -0.802 0.000 0.294) 0.854 9.276 ( -1.533 0.000 -0.704) 1.687 9.337 ( 0.584 0.000 -2.138) 2.217 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -1.270 11.890 12.668) 17.420 0.620 ( -16.896 11.786 19.803) 28.575 0.773 ( -6.695 -16.228 6.564) 18.742 0.908 ( -14.404 -21.174 3.656) 25.868 1.073 ( 9.902 24.631 23.627) 35.538 1.313 ( -5.093 12.529 5.313) 14.531 1.416 ( -1.159 -5.336 7.185) 9.024 1.530 ( 1.109 6.475 3.797) 7.587 1.631 ( 2.304 -11.983 8.989) 15.155 1.663 ( -2.611 1.846 -0.066) 3.199 1.679 ( -0.855 -4.533 2.829) 5.411 1.793 ( 1.918 -0.906 2.111) 2.993 1.840 ( 1.025 -3.962 -0.809) 4.172 1.885 ( 0.513 -3.441 -0.554) 3.523 1.914 ( 2.903 0.366 -1.833) 3.453 1.976 ( 2.955 -3.472 0.396) 4.576 1.998 ( -2.417 4.411 -0.739) 5.083 2.030 ( 1.937 0.113 -1.973) 2.768 2.070 ( -1.456 -1.904 -3.160) 3.967 2.102 ( -1.609 -2.417 -2.421) 3.781 2.137 ( -0.092 1.200 -0.523) 1.312 2.163 ( 0.477 3.010 -0.916) 3.182 2.185 ( 1.060 -2.612 -0.289) 2.834 2.211 ( 0.884 1.522 -3.815) 4.201 2.243 ( 0.420 -4.972 0.162) 4.992 2.247 ( -0.145 -2.660 -2.549) 3.687 2.285 ( 2.646 -0.088 -1.678) 3.135 2.298 ( 1.038 -1.368 -1.557) 2.318 2.338 ( -2.241 0.166 -0.924) 2.430 2.360 ( -2.555 -1.159 -1.607) 3.233 2.384 ( 1.466 1.426 -0.906) 2.236 2.414 ( -0.394 0.165 0.896) 0.993 2.421 ( 1.806 -0.723 -0.006) 1.945 2.448 ( -0.074 -1.331 0.885) 1.600 2.490 ( -1.244 2.658 1.146) 3.151 2.524 ( 0.353 1.049 1.036) 1.516 2.550 ( 2.142 4.527 1.127) 5.134 2.580 ( 1.779 0.400 1.729) 2.513 2.623 ( -1.911 4.147 1.015) 4.678 2.648 ( -1.040 2.784 1.213) 3.210 2.664 ( 0.367 3.939 0.860) 4.048 2.723 ( 1.419 -3.521 1.371) 4.036 2.768 ( -0.027 4.800 2.558) 5.439 2.873 ( 2.609 -1.736 3.450) 4.661 2.979 ( 1.878 -1.802 7.011) 7.479 3.045 ( -0.370 -4.291 -1.086) 4.441 3.133 ( 0.744 -1.997 -0.187) 2.140 3.188 ( 0.293 -3.397 -2.068) 3.987 3.250 ( 1.659 -0.224 -3.184) 3.598 3.259 ( 1.345 -1.481 -2.341) 3.080 3.297 ( 2.320 3.164 1.619) 4.244 3.352 ( 2.575 -2.582 0.955) 3.770 3.488 ( 1.165 6.447 0.975) 6.624 3.568 ( 0.677 -2.840 1.623) 3.340 3.773 ( -0.030 0.983 -1.047) 1.436 3.793 ( -0.943 -1.079 -1.995) 2.457 4.658 ( 0.089 0.233 0.819) 0.856 4.675 ( -0.828 -1.374 0.290) 1.630 4.703 ( 1.937 0.185 0.139) 1.950 4.709 ( 1.484 -0.257 -0.843) 1.726 4.803 ( 0.163 1.369 0.240) 1.400 4.833 ( -0.839 -1.698 -1.253) 2.271 4.925 ( -2.962 3.006 -2.144) 4.734 4.962 ( -1.720 0.013 -2.702) 3.203 4.985 ( 1.905 0.864 -0.264) 2.108 5.001 ( 1.747 -0.585 0.011) 1.842 5.063 ( 0.702 2.173 -0.361) 2.312 5.085 ( 7.318 1.636 -2.346) 7.857 5.190 ( 1.160 0.551 -0.715) 1.470 5.213 ( 1.011 -0.889 0.302) 1.380 5.251 ( 2.974 1.626 0.449) 3.419 5.288 ( 4.137 -1.916 -2.388) 5.147 5.393 ( 1.221 4.014 1.072) 4.331 5.426 ( 3.307 -0.260 1.015) 3.469 5.465 ( -0.258 3.158 -0.817) 3.273 5.538 ( -5.797 -5.085 0.364) 7.720 5.666 ( 0.699 -0.066 0.390) 0.803 5.677 ( 2.044 -1.246 0.496) 2.445 5.774 ( -3.082 2.466 -2.560) 4.705 5.790 ( -4.762 0.063 -2.876) 5.563 5.974 ( -3.032 3.562 -5.083) 6.907 5.995 ( -3.646 -0.172 -1.982) 4.153 6.086 ( -12.519 9.938 -11.980) 19.975 6.234 ( -7.098 -5.073 -17.474) 19.531 7.377 ( -7.411 0.246 2.543) 7.839 7.383 ( -5.939 -0.309 2.187) 6.336 7.735 ( 1.864 0.538 -2.507) 3.170 7.747 ( 1.602 -0.804 -2.520) 3.092 7.972 ( -0.194 1.113 0.934) 1.466 7.994 ( -0.467 -1.179 1.261) 1.788 8.187 ( 2.353 0.099 2.564) 3.482 8.199 ( 3.017 -1.241 1.726) 3.691 8.617 ( -0.174 1.229 -2.142) 2.476 8.622 ( -0.219 0.990 -2.802) 2.980 8.707 ( -1.955 0.124 1.312) 2.358 8.728 ( -0.788 -1.901 0.473) 2.112 8.835 ( 3.144 1.054 6.272) 7.094 8.858 ( -0.859 0.827 -0.058) 1.194 8.860 ( 1.519 -1.208 3.896) 4.353 8.873 ( 0.170 -0.791 2.668) 2.788 9.005 ( 1.031 0.171 0.477) 1.149 9.012 ( 1.616 -0.580 1.341) 2.178 9.183 ( 10.226 1.376 1.818) 10.477 9.197 ( 4.874 -0.226 0.498) 4.905 9.255 ( -0.355 0.002 0.922) 0.988 9.257 ( 0.133 -0.254 0.683) 0.741 9.298 ( 3.645 3.256 5.019) 7.006 9.406 ( 11.065 -9.486 7.673) 16.471 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 9.709 5.858 11.249) 15.972 0.749 ( 11.144 -7.901 18.472) 22.975 0.799 ( 4.933 -10.317 6.321) 13.067 0.852 ( 7.050 -10.184 7.150) 14.302 1.247 ( 0.608 10.814 0.309) 10.836 1.388 ( -1.909 0.650 -1.575) 2.559 1.496 ( 2.741 12.265 6.318) 14.067 1.571 ( 7.210 12.077 8.013) 16.188 1.606 ( 3.678 5.000 5.197) 8.096 1.694 ( -0.111 -1.308 2.039) 2.425 1.768 ( -1.603 -7.792 -2.043) 8.214 1.831 ( 0.988 -3.226 -1.156) 3.567 1.863 ( -2.459 -2.009 0.028) 3.175 1.876 ( 1.507 -3.548 2.727) 4.722 1.901 ( -0.810 4.600 -2.846) 5.470 1.956 ( -1.765 2.505 -3.324) 4.521 2.024 ( 0.812 -5.345 -1.270) 5.553 2.034 ( 0.617 -2.723 -2.041) 3.459 2.054 ( 0.660 -2.565 -1.784) 3.194 2.080 ( 4.537 -9.458 4.295) 11.336 2.129 ( -1.773 1.929 1.988) 3.288 2.147 ( -1.301 3.779 -2.774) 4.865 2.171 ( -2.783 -0.197 1.388) 3.116 2.181 ( -0.493 0.402 -3.059) 3.124 2.220 ( -2.234 -3.160 -1.353) 4.099 2.237 ( 1.426 -3.667 -3.997) 5.609 2.296 ( -0.873 -0.042 0.306) 0.926 2.311 ( 0.365 -1.391 -1.954) 2.426 2.317 ( 1.177 0.251 0.285) 1.237 2.319 ( 0.022 -0.212 1.301) 1.318 2.395 ( -0.207 2.425 -0.128) 2.437 2.415 ( 0.029 1.500 3.399) 3.715 2.447 ( -0.274 -0.735 0.371) 0.868 2.467 ( 0.953 -2.420 3.674) 4.501 2.480 ( 0.136 0.607 -1.196) 1.349 2.518 ( -1.042 -2.070 0.899) 2.486 2.577 ( -2.023 2.347 0.429) 3.128 2.585 ( -0.328 2.147 3.241) 3.901 2.610 ( -0.212 -0.624 1.120) 1.300 2.638 ( -0.038 0.450 1.459) 1.527 2.699 ( 0.892 2.180 1.717) 2.915 2.749 ( 0.488 -1.940 0.731) 2.129 2.837 ( 4.884 10.261 2.344) 11.603 2.944 ( 1.781 -1.071 3.033) 3.677 3.024 ( -1.225 0.375 3.495) 3.722 3.029 ( 0.735 1.601 -2.284) 2.884 3.144 ( 0.456 -2.359 -2.057) 3.163 3.170 ( 0.274 -3.297 -2.218) 3.983 3.230 ( -0.812 0.383 -2.792) 2.932 3.255 ( 0.828 -2.799 -0.354) 2.941 3.357 ( 1.078 1.703 3.885) 4.377 3.389 ( -0.281 -1.715 3.961) 4.325 3.476 ( -4.591 2.857 0.508) 5.431 3.513 ( -8.442 -1.469 -0.834) 8.609 3.803 ( 4.071 0.797 -1.634) 4.458 3.816 ( 5.082 -0.567 -1.201) 5.253 4.650 ( -1.303 -0.604 -0.036) 1.437 4.653 ( -1.459 -0.801 -0.059) 1.665 4.710 ( -0.848 0.950 -1.037) 1.642 4.726 ( -0.331 -0.753 -1.309) 1.546 4.819 ( 0.884 0.148 1.876) 2.079 4.824 ( 0.658 -0.344 1.206) 1.416 4.882 ( -0.019 1.914 -1.305) 2.317 4.914 ( -0.833 -0.714 -1.741) 2.057 5.016 ( 1.254 1.859 -0.951) 2.436 5.021 ( -0.323 1.990 -0.363) 2.048 5.068 ( 0.782 0.786 0.017) 1.109 5.118 ( -1.580 -3.447 -0.912) 3.900 5.212 ( 0.199 1.642 -0.769) 1.825 5.235 ( 1.143 -1.145 2.102) 2.652 5.300 ( -0.172 0.486 -0.330) 0.612 5.304 ( -0.788 0.095 -0.818) 1.140 5.358 ( -1.097 6.123 0.919) 6.288 5.403 ( -0.018 0.497 1.505) 1.585 5.499 ( 0.615 -1.056 0.401) 1.286 5.539 ( -3.575 -4.796 -3.054) 6.716 5.603 ( 0.682 2.353 2.134) 3.249 5.634 ( -0.857 -0.682 1.515) 1.869 5.797 ( 3.498 1.125 -0.757) 3.751 5.807 ( 3.339 -0.028 -1.990) 3.887 5.858 ( -3.072 3.543 -5.917) 7.550 5.907 ( -3.373 -0.363 -4.985) 6.030 5.948 ( -1.579 -0.984 -2.318) 2.972 5.955 ( -7.583 -2.490 -9.298) 12.254 7.380 ( 3.069 0.444 0.831) 3.210 7.388 ( 2.691 -0.407 0.688) 2.807 7.763 ( 2.900 0.219 -1.809) 3.425 7.768 ( 2.571 -0.322 -2.070) 3.317 7.982 ( 0.114 0.572 1.388) 1.505 7.990 ( -0.801 -0.236 0.803) 1.158 8.206 ( -1.394 0.261 1.701) 2.215 8.215 ( -1.628 -0.661 0.963) 2.003 8.594 ( -0.496 0.357 -1.635) 1.745 8.599 ( -0.544 -0.017 -1.945) 2.019 8.686 ( -1.508 1.135 1.200) 2.237 8.709 ( -1.863 -1.302 0.770) 2.399 8.864 ( 1.681 1.125 0.768) 2.164 8.880 ( 1.172 -0.432 1.404) 1.879 8.936 ( 1.960 -0.095 4.274) 4.704 8.944 ( 2.382 -1.099 4.446) 5.163 9.028 ( 0.560 1.725 2.118) 2.788 9.058 ( 0.969 -1.499 3.241) 3.700 9.244 ( -1.558 -0.018 0.362) 1.600 9.244 ( -1.604 -0.074 0.712) 1.756 9.276 ( 3.744 0.364 0.217) 3.768 9.286 ( 3.205 -0.740 0.172) 3.294 9.440 ( 4.587 6.452 3.592) 8.693 9.578 ( 3.108 -8.385 0.946) 8.992 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 13.859 3.589 7.993) 16.396 1.037 ( 17.109 4.032 3.032) 17.837 1.083 ( 15.133 -5.832 1.748) 16.312 1.170 ( 15.105 -10.842 12.058) 22.161 1.301 ( 6.937 7.032 -2.299) 10.142 1.381 ( 4.339 5.321 -2.675) 7.368 1.487 ( 2.720 -2.242 -4.192) 5.477 1.579 ( -4.476 -4.085 -2.847) 6.696 1.706 ( -2.744 0.931 -2.974) 4.152 1.720 ( -3.816 1.951 -1.463) 4.529 1.754 ( 3.091 -1.378 -3.641) 4.971 1.780 ( -2.887 -4.021 -2.121) 5.386 1.848 ( 1.195 2.592 -4.735) 5.529 1.869 ( 0.806 -0.466 -4.955) 5.042 1.918 ( 1.357 2.518 -0.054) 2.861 1.969 ( 3.888 8.627 2.101) 9.693 1.987 ( -2.991 -0.418 -1.670) 3.452 2.006 ( -1.028 -1.648 -1.360) 2.371 2.022 ( -3.095 1.774 -3.604) 5.071 2.059 ( -2.302 -0.129 -0.005) 2.305 2.091 ( -2.444 -0.321 -0.309) 2.484 2.114 ( -2.407 -0.688 2.293) 3.395 2.164 ( 1.266 0.407 4.256) 4.459 2.193 ( 2.443 -0.251 -2.662) 3.622 2.226 ( 1.420 -0.214 -3.231) 3.536 2.238 ( -3.183 -0.414 -1.855) 3.707 2.286 ( -0.578 -0.540 -1.128) 1.378 2.297 ( -1.158 -2.163 0.639) 2.535 2.307 ( -0.528 2.384 0.005) 2.442 2.380 ( 2.507 -3.081 4.109) 5.715 2.391 ( -0.550 2.631 0.751) 2.791 2.438 ( -0.420 0.413 -4.675) 4.712 2.456 ( -0.327 -0.680 -0.774) 1.081 2.473 ( 5.933 -7.738 3.332) 10.305 2.518 ( 1.633 2.828 1.588) 3.631 2.551 ( 1.508 -0.110 5.394) 5.602 2.580 ( 1.103 -1.542 3.397) 3.891 2.597 ( 1.351 -2.559 3.187) 4.304 2.644 ( -0.566 0.941 2.973) 3.169 2.649 ( 1.437 -1.211 4.289) 4.683 2.723 ( 0.419 0.139 2.386) 2.427 2.749 ( -0.572 -1.898 -0.417) 2.026 2.911 ( -0.445 4.316 -0.389) 4.357 2.954 ( -2.569 -0.867 1.152) 2.946 3.018 ( 0.084 4.775 1.837) 5.117 3.036 ( 1.560 2.365 -2.006) 3.471 3.121 ( -0.875 0.423 -1.967) 2.194 3.165 ( 0.091 -1.413 -2.052) 2.493 3.207 ( -1.295 0.310 -0.466) 1.411 3.234 ( -11.741 -0.689 -1.351) 11.838 3.305 ( -6.191 -1.921 0.260) 6.487 3.316 ( -4.888 -2.969 0.207) 5.723 3.409 ( -3.311 1.338 5.311) 6.400 3.418 ( -0.153 0.568 4.695) 4.732 3.871 ( 4.315 2.430 -1.562) 5.193 3.915 ( 5.412 -2.179 -0.443) 5.850 4.626 ( -1.037 -0.204 -0.253) 1.087 4.628 ( -0.922 -0.588 -0.119) 1.100 4.674 ( -1.483 1.432 -0.800) 2.212 4.693 ( -1.172 -0.727 -1.353) 1.932 4.834 ( -0.583 0.203 0.078) 0.622 4.840 ( -0.475 -0.338 -0.479) 0.754 4.899 ( 1.651 1.030 1.050) 2.211 4.922 ( 1.666 -1.456 0.810) 2.356 4.997 ( -0.657 2.259 -0.053) 2.353 5.021 ( -0.432 0.453 0.152) 0.644 5.077 ( -1.515 -1.112 -0.179) 1.888 5.088 ( 1.190 -1.461 -1.147) 2.206 5.197 ( -0.698 2.867 -0.245) 2.961 5.244 ( -1.130 -2.490 0.780) 2.843 5.294 ( -0.240 0.811 -0.007) 0.846 5.304 ( 0.744 -0.365 -0.094) 0.834 5.356 ( -1.341 2.047 -1.029) 2.655 5.394 ( -2.897 -0.960 -0.598) 3.110 5.429 ( -2.821 1.567 -1.367) 3.505 5.483 ( -0.918 -3.413 -0.284) 3.546 5.621 ( -1.158 1.786 -5.606) 5.996 5.650 ( 0.713 -0.956 -2.059) 2.379 5.764 ( -1.690 1.119 -0.869) 2.205 5.787 ( -0.214 -1.122 -0.083) 1.146 5.845 ( 1.864 0.296 -2.094) 2.819 5.855 ( 1.271 -0.743 0.447) 1.538 5.914 ( 1.128 2.497 2.376) 3.627 5.953 ( 1.476 -1.838 2.345) 3.325 7.448 ( 3.745 0.218 -0.243) 3.759 7.452 ( 3.751 -0.219 -0.316) 3.770 7.803 ( 2.741 0.050 -1.735) 3.245 7.805 ( 2.809 -0.072 -1.637) 3.252 7.977 ( -0.831 0.718 -0.169) 1.111 7.989 ( -0.259 -0.563 0.347) 0.710 8.175 ( -3.288 0.149 1.114) 3.475 8.178 ( -2.737 -0.167 1.477) 3.115 8.577 ( -0.192 0.415 -0.854) 0.969 8.586 ( 0.360 -0.559 -0.968) 1.174 8.667 ( -1.605 0.817 1.658) 2.448 8.681 ( -1.887 -0.698 1.551) 2.540 8.903 ( 0.537 0.426 0.391) 0.789 8.910 ( 1.847 -0.125 0.085) 1.853 8.988 ( 1.143 0.172 1.195) 1.663 9.006 ( 2.946 -1.409 0.646) 3.329 9.050 ( -0.398 2.330 1.875) 3.017 9.087 ( -0.298 -1.761 2.506) 3.078 9.199 ( -3.359 0.220 0.136) 3.369 9.204 ( -2.984 -0.253 0.045) 2.995 9.325 ( 1.823 0.797 -0.772) 2.134 9.338 ( 2.669 -0.391 -1.251) 2.973 9.499 ( 1.126 4.179 -0.472) 4.354 9.583 ( -1.226 -4.596 -1.548) 5.003 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.720 6.401 3.741) 8.790 1.319 ( 10.370 2.104 -2.020) 10.773 1.333 ( 9.799 -3.068 -0.301) 10.272 1.409 ( -2.359 -6.165 0.724) 6.640 1.428 ( -0.833 -0.213 -3.228) 3.340 1.472 ( 3.472 -1.063 -3.744) 5.215 1.512 ( 12.448 1.324 -0.073) 12.518 1.557 ( 10.048 -3.570 -2.407) 10.932 1.591 ( 2.916 2.546 -1.523) 4.160 1.639 ( -1.919 -0.870 -0.509) 2.168 1.776 ( 1.116 1.050 -7.449) 7.605 1.800 ( -0.229 2.158 -6.267) 6.632 1.807 ( 2.763 -0.344 -2.001) 3.429 1.823 ( 0.530 -2.403 -4.505) 5.133 1.887 ( -2.668 1.283 -4.227) 5.160 1.916 ( -1.393 2.728 -1.288) 3.323 1.966 ( 2.559 -0.349 -1.096) 2.806 1.981 ( -0.303 -2.097 1.098) 2.386 2.012 ( 1.788 5.480 -3.077) 6.534 2.034 ( -2.212 -0.554 1.848) 2.935 2.060 ( 1.477 -1.534 -2.403) 3.211 2.114 ( -1.186 -2.424 2.084) 3.410 2.129 ( -4.695 0.114 -1.505) 4.932 2.153 ( -2.560 -0.728 -3.007) 4.016 2.180 ( -1.103 0.232 -3.279) 3.467 2.212 ( 0.867 -2.094 -4.817) 5.324 2.261 ( -0.457 2.038 -1.326) 2.474 2.282 ( -0.162 -0.220 -0.598) 0.657 2.359 ( -1.176 -0.425 -3.534) 3.748 2.364 ( 0.549 -0.496 -5.627) 5.675 2.383 ( -1.547 3.338 1.184) 3.865 2.435 ( 0.592 1.648 -0.643) 1.866 2.465 ( 0.522 0.307 -1.872) 1.968 2.490 ( -2.582 4.112 0.153) 4.858 2.565 ( 1.545 -1.091 3.454) 3.938 2.583 ( -2.912 -0.880 1.273) 3.298 2.668 ( 2.546 -1.791 1.818) 3.605 2.687 ( -0.223 0.485 3.209) 3.253 2.699 ( 0.354 -1.560 3.057) 3.450 2.713 ( 3.989 -4.192 5.093) 7.708 2.769 ( 4.826 0.394 4.550) 6.645 2.791 ( 4.459 -2.242 3.388) 6.032 2.859 ( -10.329 1.757 0.154) 10.479 2.868 ( -9.535 2.010 0.243) 9.747 2.889 ( -3.212 -1.207 0.132) 3.434 2.943 ( -14.245 -4.266 -0.605) 14.882 3.055 ( 1.564 1.661 -0.893) 2.450 3.074 ( 0.831 -0.304 -2.447) 2.602 3.154 ( 0.552 1.959 -1.176) 2.350 3.193 ( 1.190 -1.855 -1.723) 2.798 3.253 ( -0.055 4.836 2.273) 5.344 3.339 ( -3.519 1.099 1.753) 4.082 3.366 ( -2.109 0.081 5.686) 6.065 3.440 ( -2.094 -2.669 5.402) 6.379 3.927 ( 2.488 2.823 -0.706) 3.828 3.982 ( 2.017 -2.892 -0.699) 3.595 4.607 ( -0.537 0.337 -0.827) 1.042 4.617 ( -0.237 -0.817 -0.505) 0.990 4.663 ( 0.337 1.595 0.889) 1.857 4.688 ( 0.786 -1.125 1.199) 1.822 4.809 ( -1.074 0.121 -1.779) 2.081 4.814 ( -0.772 -0.299 -1.975) 2.142 4.927 ( 0.270 0.790 1.110) 1.388 4.941 ( -0.355 -0.704 0.773) 1.104 5.011 ( 1.158 0.280 0.981) 1.543 5.020 ( -0.315 -0.466 1.171) 1.299 5.057 ( -0.144 1.913 -1.052) 2.188 5.093 ( 0.472 -1.744 -1.703) 2.483 5.194 ( -0.094 1.528 0.571) 1.633 5.220 ( -1.959 -1.229 0.883) 2.476 5.275 ( -0.036 1.128 -2.823) 3.040 5.296 ( -1.026 -0.969 -2.496) 2.868 5.314 ( -0.415 -0.119 -2.712) 2.746 5.332 ( -1.787 -1.689 -2.277) 3.351 5.398 ( -0.127 3.067 -2.574) 4.006 5.441 ( -1.885 -1.110 -3.503) 4.130 5.580 ( 0.786 1.851 -1.830) 2.719 5.633 ( 0.001 -2.963 -1.793) 3.464 5.758 ( 0.999 2.920 0.366) 3.108 5.815 ( 1.460 -3.062 1.463) 3.694 5.884 ( 1.409 1.198 3.953) 4.364 5.903 ( 1.161 -1.002 4.503) 4.757 5.965 ( 1.294 2.617 5.161) 5.929 6.006 ( 1.181 -1.888 4.514) 5.034 7.506 ( 2.715 0.353 0.084) 2.739 7.513 ( 2.895 -0.322 0.220) 2.922 7.829 ( 1.279 0.140 -1.954) 2.340 7.832 ( 1.310 -0.191 -1.628) 2.099 7.967 ( 0.395 0.700 -0.441) 0.917 7.979 ( -0.216 -0.629 -1.091) 1.278 8.123 ( -2.800 0.767 0.522) 2.949 8.137 ( -2.508 -0.721 0.793) 2.727 8.575 ( 0.375 0.866 -0.139) 0.953 8.593 ( 0.707 -0.970 -0.063) 1.202 8.659 ( -0.918 0.692 2.511) 2.761 8.672 ( -0.767 -0.684 2.467) 2.672 8.895 ( -0.640 1.114 -1.692) 2.125 8.921 ( -0.015 -1.727 -1.726) 2.442 9.001 ( -0.879 0.878 -2.018) 2.369 9.015 ( -0.865 -0.170 -2.749) 2.887 9.052 ( -0.666 0.865 -0.613) 1.252 9.077 ( -0.871 -1.724 -0.973) 2.163 9.141 ( -2.188 1.352 0.044) 2.573 9.156 ( -1.828 -0.479 0.663) 2.002 9.337 ( 0.725 1.100 -1.484) 1.984 9.357 ( 1.220 -0.735 -3.070) 3.384 9.486 ( -0.432 1.914 -4.183) 4.620 9.529 ( -2.205 -2.406 -3.856) 5.052 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -15.648 1.232 -4.742) 16.397 1.154 ( -14.307 -9.576 -1.920) 17.323 1.382 ( -7.659 8.242 -2.588) 11.545 1.444 ( -4.533 1.803 2.700) 5.576 1.500 ( 3.971 1.038 -0.894) 4.201 1.537 ( 0.914 -2.085 0.255) 2.291 1.590 ( 5.317 -1.824 -2.489) 6.148 1.618 ( 0.636 -2.786 -4.349) 5.204 1.633 ( 3.252 2.923 -1.081) 4.504 1.697 ( 3.092 -3.851 -1.790) 5.253 1.789 ( -1.103 0.256 1.320) 1.739 1.808 ( -0.648 0.262 -2.900) 2.983 1.846 ( 4.722 0.522 0.755) 4.810 1.869 ( 10.461 -0.868 -3.810) 11.167 1.911 ( 7.972 3.562 -3.319) 9.341 1.931 ( 2.725 3.171 -0.420) 4.202 1.967 ( -1.113 3.839 -1.836) 4.398 2.016 ( 1.309 1.926 -2.392) 3.339 2.027 ( 1.927 1.810 -0.270) 2.658 2.042 ( 0.809 -1.658 -1.161) 2.180 2.062 ( 0.248 1.040 -0.301) 1.111 2.078 ( 1.258 -2.818 -1.902) 3.625 2.093 ( 4.389 -0.753 -2.737) 5.227 2.118 ( -1.949 -2.484 -2.581) 4.078 2.159 ( 0.334 -0.203 -0.690) 0.793 2.190 ( -1.540 -0.959 -2.747) 3.292 2.235 ( -6.582 1.216 -3.271) 7.450 2.264 ( 1.262 2.677 -0.516) 3.004 2.286 ( 0.129 1.513 0.407) 1.572 2.324 ( -2.749 -0.912 -6.001) 6.664 2.350 ( 0.009 -1.028 -4.511) 4.627 2.381 ( -4.629 0.104 -0.356) 4.644 2.416 ( -3.124 -2.835 -1.351) 4.429 2.438 ( -0.987 -3.056 -0.437) 3.241 2.484 ( -4.347 -0.271 -1.971) 4.781 2.527 ( -4.240 -4.676 0.021) 6.312 2.560 ( -7.767 2.722 -1.675) 8.399 2.627 ( -7.248 -3.365 -1.107) 8.068 2.694 ( -2.823 1.444 0.906) 3.298 2.718 ( -2.167 2.012 3.272) 4.410 2.732 ( -1.447 -2.913 0.026) 3.252 2.755 ( -2.134 -1.619 3.766) 4.621 2.808 ( -0.461 2.696 -2.498) 3.704 2.855 ( 1.876 -1.967 0.125) 2.722 3.003 ( 3.693 2.968 1.277) 4.906 3.022 ( 10.758 -0.305 3.304) 11.258 3.093 ( 3.457 0.444 -1.122) 3.662 3.097 ( 3.415 0.800 -0.223) 3.514 3.164 ( 2.063 1.630 -0.319) 2.649 3.180 ( -1.302 0.300 -1.670) 2.138 3.224 ( -3.512 6.282 0.396) 7.208 3.298 ( 0.146 3.914 2.243) 4.514 3.384 ( -3.228 -4.902 6.361) 8.655 3.434 ( -1.802 -5.898 4.922) 7.891 3.940 ( -0.799 1.996 -0.360) 2.180 3.974 ( -1.933 -1.631 -0.956) 2.704 4.601 ( 0.719 0.395 -0.807) 1.151 4.613 ( 0.570 -0.782 -0.866) 1.298 4.688 ( 0.648 1.881 1.640) 2.578 4.723 ( 0.959 -1.892 1.987) 2.906 4.778 ( -0.206 0.446 -2.190) 2.244 4.791 ( 0.123 -0.523 -2.212) 2.277 4.933 ( -0.839 0.352 0.706) 1.152 4.939 ( -0.198 -0.022 1.377) 1.391 5.018 ( 0.076 0.687 0.078) 0.696 5.032 ( 0.483 -0.654 0.271) 0.857 5.056 ( 0.207 1.614 -0.042) 1.628 5.083 ( -0.082 -1.213 -1.316) 1.792 5.171 ( -1.890 1.866 -1.255) 2.937 5.195 ( -1.101 -0.770 -0.277) 1.371 5.271 ( -0.900 -0.408 -2.772) 2.943 5.280 ( 0.626 -0.661 -5.111) 5.192 5.291 ( 2.053 -0.977 -2.646) 3.488 5.298 ( 3.833 -0.763 -3.536) 5.270 5.381 ( 0.385 1.963 -2.317) 3.061 5.385 ( -1.430 1.598 -2.414) 3.229 5.596 ( 1.153 0.687 -0.181) 1.354 5.636 ( 0.999 -3.073 -0.162) 3.235 5.798 ( 2.389 3.402 0.742) 4.223 5.859 ( 2.131 -3.218 1.307) 4.075 5.933 ( 0.326 1.349 3.965) 4.200 5.957 ( 1.193 -1.235 6.253) 6.484 6.048 ( 1.893 1.312 8.728) 9.026 6.068 ( 1.183 -0.832 7.015) 7.162 7.552 ( 1.515 0.446 2.354) 2.835 7.560 ( 1.262 -0.460 2.401) 2.751 7.815 ( -0.636 0.123 -2.721) 2.797 7.817 ( -1.051 -0.145 -2.829) 3.021 7.978 ( 0.758 0.733 -0.358) 1.114 7.988 ( 1.211 -0.275 0.810) 1.483 8.095 ( 0.056 0.323 -0.412) 0.526 8.104 ( -1.088 -0.601 -0.724) 1.439 8.588 ( 0.925 0.874 0.550) 1.386 8.608 ( 0.606 -1.205 0.733) 1.535 8.674 ( 0.061 0.800 3.490) 3.581 8.691 ( 0.333 -1.016 3.514) 3.674 8.855 ( -1.552 1.329 -3.574) 4.117 8.884 ( -1.830 -1.848 -3.834) 4.633 8.930 ( -2.991 0.917 -3.624) 4.787 8.946 ( -2.989 -0.782 -4.087) 5.123 9.009 ( -2.655 2.027 -2.527) 4.189 9.043 ( -1.391 -1.745 -1.905) 2.934 9.126 ( 0.417 1.861 -2.070) 2.815 9.157 ( 1.488 -1.374 -1.049) 2.280 9.332 ( -0.027 0.236 -1.832) 1.847 9.338 ( -0.350 -0.349 -3.923) 3.954 9.418 ( -2.288 1.882 -7.078) 7.673 9.455 ( -1.482 -1.962 -6.651) 7.091 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -15.820 7.821 1.034) 17.678 0.971 ( -6.768 -14.906 6.924) 17.775 1.058 ( -18.571 12.614 -5.712) 23.165 1.274 ( -16.028 -9.986 1.298) 18.929 1.490 ( -1.288 6.889 -2.460) 7.428 1.508 ( -7.580 8.358 7.935) 13.794 1.593 ( -10.638 1.975 1.091) 10.874 1.620 ( -14.817 7.280 3.051) 16.788 1.664 ( -0.589 3.069 0.895) 3.251 1.720 ( 0.024 -5.671 3.358) 6.591 1.737 ( 2.083 -2.812 0.555) 3.543 1.781 ( -1.453 -2.822 -0.589) 3.228 1.816 ( -2.192 0.574 -1.829) 2.912 1.853 ( 0.669 1.782 -4.391) 4.785 1.880 ( -8.115 -9.155 -1.721) 12.354 1.926 ( 2.883 3.816 -3.059) 5.677 1.973 ( -0.487 -4.760 -6.972) 8.456 2.030 ( -0.357 -1.830 -0.665) 1.979 2.054 ( 1.405 0.067 0.578) 1.521 2.075 ( 2.890 1.515 1.277) 3.504 2.096 ( 5.645 0.683 -1.995) 6.026 2.109 ( 4.149 -1.723 -0.011) 4.493 2.147 ( 1.738 -3.138 0.125) 3.589 2.166 ( 3.973 -3.014 -0.909) 5.069 2.201 ( 4.756 0.337 1.210) 4.919 2.214 ( 4.615 -1.402 -2.562) 5.461 2.227 ( 3.504 -0.803 -3.512) 5.026 2.247 ( 5.417 -3.455 -1.602) 6.622 2.303 ( 4.353 0.916 -2.199) 4.962 2.313 ( 0.337 3.315 1.929) 3.850 2.320 ( 2.862 -1.081 -5.505) 6.298 2.350 ( 1.832 0.733 -2.081) 2.868 2.381 ( 0.264 -0.710 -3.289) 3.376 2.405 ( -1.651 -1.714 -0.915) 2.550 2.448 ( -0.065 0.353 1.234) 1.285 2.483 ( -0.315 -1.856 -2.280) 2.957 2.520 ( -0.371 -0.086 2.267) 2.299 2.538 ( -0.314 0.052 1.118) 1.162 2.638 ( -3.384 7.067 -1.106) 7.913 2.689 ( -2.467 2.234 0.613) 3.384 2.717 ( -1.254 -0.539 -0.408) 1.425 2.738 ( -2.967 -2.163 2.899) 4.678 2.782 ( -0.387 2.443 -0.606) 2.546 2.855 ( -1.118 -2.586 -1.954) 3.428 2.938 ( -5.866 11.622 -1.361) 13.090 3.109 ( 0.157 5.652 -2.426) 6.152 3.115 ( 0.512 -6.393 -1.303) 6.544 3.147 ( 2.641 -0.383 -2.390) 3.583 3.194 ( 1.773 1.212 -1.305) 2.513 3.232 ( 3.218 1.678 0.064) 3.630 3.253 ( 4.275 -0.048 -1.095) 4.414 3.302 ( -3.269 -8.068 3.765) 9.484 3.406 ( 3.650 1.830 3.633) 5.465 3.460 ( 0.659 -3.341 4.360) 5.532 3.894 ( -3.531 1.135 -0.679) 3.770 3.911 ( -3.840 -0.813 -0.609) 3.972 4.619 ( 1.788 0.202 -0.774) 1.959 4.626 ( 1.531 -0.434 -0.765) 1.765 4.695 ( -0.270 1.167 -0.220) 1.218 4.721 ( -0.877 -1.412 -1.121) 2.005 4.780 ( 0.797 1.037 -0.164) 1.318 4.806 ( 1.873 -1.201 0.963) 2.425 4.918 ( -0.413 2.593 -0.313) 2.644 4.946 ( -0.264 -0.001 1.403) 1.428 5.028 ( 0.775 -0.521 -0.500) 1.059 5.031 ( 0.229 -0.584 -1.573) 1.694 5.057 ( -0.720 0.652 0.045) 0.973 5.069 ( -0.848 -0.787 -1.572) 1.952 5.131 ( -0.437 3.066 -1.442) 3.417 5.172 ( -0.521 -0.979 -1.183) 1.621 5.236 ( 0.079 -0.133 -2.612) 2.616 5.256 ( 1.239 -1.665 -4.322) 4.794 5.324 ( 2.050 0.532 -1.603) 2.656 5.328 ( 0.402 0.768 -2.052) 2.228 5.392 ( 4.491 2.165 -2.188) 5.444 5.416 ( 6.335 -0.437 -1.265) 6.475 5.605 ( -0.225 1.113 0.444) 1.219 5.654 ( 0.269 -4.294 0.759) 4.369 5.835 ( 1.088 3.981 0.146) 4.129 5.892 ( 0.298 -2.470 0.590) 2.557 5.977 ( 2.019 2.963 2.345) 4.284 6.039 ( 2.143 -3.958 3.899) 5.955 6.162 ( 4.682 1.508 8.018) 9.407 6.177 ( 3.414 -0.219 10.249) 10.805 7.592 ( -1.706 1.064 5.646) 5.993 7.613 ( 1.559 -1.123 7.523) 7.765 7.767 ( -1.284 0.472 -3.542) 3.797 7.779 ( -0.741 -0.816 -2.716) 2.931 7.992 ( -0.070 0.894 1.465) 1.718 8.003 ( -0.423 -0.261 1.385) 1.471 8.086 ( 0.876 0.969 -3.443) 3.682 8.120 ( 2.387 -2.768 -1.746) 4.050 8.618 ( 1.181 0.025 0.946) 1.513 8.624 ( 1.052 -0.543 1.252) 1.723 8.703 ( -0.524 0.964 3.012) 3.206 8.727 ( 0.226 -1.782 2.819) 3.343 8.794 ( -1.490 1.478 -3.412) 4.006 8.819 ( -1.425 -1.076 -3.176) 3.644 8.846 ( -3.044 2.541 -2.699) 4.796 8.876 ( -1.837 -0.748 -2.008) 2.822 8.965 ( 0.167 0.586 -2.122) 2.208 8.989 ( -1.808 -2.200 -3.568) 4.565 9.106 ( -0.088 3.613 -5.788) 6.824 9.167 ( 1.256 -3.161 -4.317) 5.496 9.285 ( -2.059 1.610 -4.033) 4.806 9.303 ( -1.982 -0.548 -1.610) 2.612 9.321 ( -1.972 2.059 -4.892) 5.662 9.370 ( -1.605 -2.871 -8.105) 8.747 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -3.792 22.734 12.213) 26.084 0.671 ( -15.432 20.408 1.458) 25.627 0.966 ( -16.265 -13.131 8.401) 22.529 1.034 ( -1.974 -21.843 6.685) 22.928 1.097 ( -28.918 14.461 15.092) 35.681 1.420 ( -12.639 -0.840 4.155) 13.331 1.453 ( -11.122 -3.266 6.497) 13.288 1.502 ( -1.355 12.024 2.515) 12.359 1.599 ( -5.530 -9.429 1.962) 11.106 1.692 ( 1.629 8.887 2.091) 9.274 1.713 ( -4.089 -11.395 4.352) 12.865 1.766 ( 0.174 -0.478 -3.015) 3.057 1.809 ( 2.152 -6.405 0.113) 6.758 1.850 ( 2.847 -5.219 -1.321) 6.090 1.888 ( 3.082 1.569 -2.519) 4.278 1.923 ( 2.312 -2.080 -4.081) 5.131 1.987 ( 3.197 1.662 -1.113) 3.771 2.051 ( -1.338 6.459 0.667) 6.630 2.088 ( 2.524 -4.760 -1.382) 5.562 2.117 ( 2.253 0.787 -1.590) 2.868 2.137 ( 0.968 -0.532 -2.274) 2.528 2.147 ( 1.049 -1.135 0.181) 1.557 2.176 ( 0.209 0.439 -1.465) 1.544 2.207 ( 2.469 -3.829 -0.235) 4.562 2.227 ( 0.818 0.206 -2.660) 2.791 2.251 ( 1.359 1.613 -1.418) 2.542 2.276 ( 0.326 -2.744 -0.682) 2.847 2.305 ( 0.492 -2.985 -1.399) 3.333 2.331 ( 2.986 0.758 -2.095) 3.726 2.350 ( 4.038 0.463 -1.512) 4.336 2.370 ( 2.489 -0.580 -2.259) 3.411 2.377 ( 2.206 -0.579 -0.289) 2.299 2.412 ( 2.575 0.863 -0.251) 2.728 2.428 ( 3.862 -0.788 -1.020) 4.072 2.487 ( 1.096 1.728 2.231) 3.027 2.508 ( 2.068 3.427 1.094) 4.149 2.513 ( -1.180 0.190 1.297) 1.764 2.557 ( -1.679 2.303 0.894) 2.986 2.599 ( 3.267 4.003 -0.241) 5.172 2.649 ( -2.505 3.268 0.962) 4.229 2.689 ( -1.264 1.310 1.114) 2.134 2.702 ( -2.083 -1.147 2.380) 3.364 2.780 ( -1.783 2.749 1.947) 3.811 2.821 ( 0.385 1.645 -0.198) 1.701 2.885 ( 0.638 3.082 3.505) 4.710 3.064 ( -0.626 -6.730 -2.969) 7.382 3.129 ( -0.530 -0.353 1.667) 1.785 3.176 ( 2.076 -1.070 -1.543) 2.799 3.210 ( 2.418 0.506 -1.128) 2.715 3.252 ( -0.467 -2.378 -1.726) 2.975 3.283 ( 1.194 0.252 -1.554) 1.976 3.300 ( 2.399 -2.587 -0.093) 3.530 3.465 ( 0.746 4.835 1.192) 5.035 3.529 ( 2.937 -2.528 0.963) 3.993 3.818 ( -3.577 1.225 -0.911) 3.889 3.842 ( -3.121 -1.402 -0.525) 3.462 4.645 ( 1.195 0.442 -0.317) 1.313 4.656 ( 2.030 -0.562 -0.107) 2.109 4.689 ( 0.132 0.156 -0.540) 0.578 4.702 ( -0.171 -0.863 -0.678) 1.111 4.796 ( 0.763 1.999 -0.107) 2.142 4.841 ( 1.022 -2.588 -0.206) 2.790 4.939 ( 3.668 4.945 -1.078) 6.250 4.954 ( 0.743 1.685 0.926) 2.061 5.005 ( -3.122 1.675 -2.648) 4.423 5.013 ( 0.567 1.411 -2.183) 2.660 5.027 ( -2.234 -0.812 -1.353) 2.736 5.048 ( 1.508 -0.802 -1.180) 2.076 5.159 ( 2.895 -0.709 0.876) 3.107 5.174 ( 1.656 -0.277 -0.511) 1.755 5.226 ( 0.019 0.230 -0.492) 0.544 5.256 ( 1.238 -1.967 -2.094) 3.129 5.335 ( 2.755 2.997 -1.333) 4.284 5.362 ( 3.523 -0.388 -1.172) 3.733 5.463 ( 2.814 4.835 -1.156) 5.713 5.541 ( 6.977 -2.902 -1.266) 7.662 5.612 ( 1.485 0.233 0.853) 1.729 5.646 ( -1.615 -4.488 0.994) 4.872 5.836 ( -1.065 3.274 -0.749) 3.524 5.879 ( -2.035 -1.988 -0.439) 2.879 6.015 ( 0.811 3.095 -1.061) 3.371 6.059 ( -2.238 -1.844 1.455) 3.244 6.302 ( 3.817 1.515 -1.673) 4.434 6.322 ( 6.603 -0.335 -3.581) 7.519 7.533 ( -9.986 4.137 3.841) 11.471 7.669 ( -8.453 -11.406 3.073) 14.525 7.735 ( 0.627 0.652 -3.214) 3.339 7.751 ( -0.259 -1.901 -2.339) 3.025 7.984 ( -1.257 0.554 -0.193) 1.387 7.995 ( -0.939 -0.599 -0.409) 1.186 8.100 ( 1.893 0.295 -0.865) 2.102 8.114 ( 2.843 -0.996 -0.798) 3.116 8.656 ( -1.660 2.036 -1.866) 3.223 8.662 ( -1.619 1.701 -1.386) 2.727 8.681 ( 4.339 0.014 6.161) 7.536 8.712 ( -0.136 -3.113 0.189) 3.122 8.770 ( -0.301 0.442 -0.067) 0.539 8.776 ( -0.003 0.062 0.686) 0.688 8.862 ( 1.716 1.114 3.123) 3.733 8.868 ( 0.980 0.463 2.008) 2.282 8.957 ( 2.086 3.645 -1.190) 4.365 8.978 ( 2.050 -0.492 -0.248) 2.123 9.031 ( -1.313 4.860 -4.949) 7.060 9.131 ( 0.937 -4.484 -5.213) 6.939 9.242 ( -0.417 0.949 0.194) 1.055 9.257 ( -1.274 -0.476 0.166) 1.370 9.278 ( -1.035 0.550 -0.658) 1.344 9.303 ( -0.890 -2.422 -0.903) 2.734 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -9.649 0.000 22.054) 24.072 0.960 ( 7.903 0.000 21.291) 22.710 1.102 ( -7.956 0.000 0.533) 7.974 1.201 ( -7.545 0.000 9.066) 11.795 1.320 ( -1.268 0.000 17.057) 17.104 1.331 ( -15.482 0.000 11.265) 19.147 1.439 ( -8.670 0.000 16.216) 18.388 1.560 ( 4.647 0.000 9.441) 10.523 1.631 ( -2.339 0.000 4.070) 4.694 1.731 ( 2.433 0.000 -9.100) 9.419 1.796 ( 2.430 0.000 -4.305) 4.944 1.829 ( 2.906 0.000 0.542) 2.956 1.848 ( -6.756 0.000 1.996) 7.044 1.886 ( -2.009 0.000 1.190) 2.335 1.915 ( 4.843 0.000 -3.871) 6.200 1.972 ( 1.918 0.000 -2.099) 2.843 1.981 ( -2.275 0.000 -5.102) 5.586 1.993 ( 2.260 0.000 -7.482) 7.816 2.006 ( -6.140 0.000 -0.580) 6.167 2.110 ( 2.941 0.000 0.174) 2.946 2.132 ( -0.515 0.000 -4.301) 4.332 2.148 ( -1.648 0.000 -2.152) 2.710 2.152 ( 2.459 0.000 -0.681) 2.551 2.210 ( 3.382 0.000 -2.259) 4.067 2.246 ( 3.623 0.000 -5.873) 6.901 2.256 ( 1.207 0.000 -1.599) 2.003 2.298 ( 0.743 0.000 -2.080) 2.209 2.320 ( 2.095 0.000 0.926) 2.291 2.353 ( -4.274 0.000 2.115) 4.769 2.363 ( 1.751 0.000 3.413) 3.836 2.386 ( 3.730 0.000 7.249) 8.152 2.390 ( 2.939 0.000 3.098) 4.270 2.438 ( 1.313 0.000 -0.834) 1.556 2.453 ( 4.259 0.000 -0.912) 4.356 2.464 ( 0.848 0.000 -0.103) 0.854 2.511 ( 2.882 0.000 3.173) 4.287 2.536 ( -1.267 0.000 2.527) 2.827 2.621 ( 4.567 0.000 2.257) 5.095 2.625 ( 3.520 0.000 3.883) 5.241 2.634 ( -2.791 0.000 2.996) 4.095 2.648 ( -2.919 0.000 0.877) 3.048 2.740 ( 0.425 0.000 -1.178) 1.252 2.804 ( -3.247 0.000 0.816) 3.348 2.937 ( 2.140 0.000 3.959) 4.500 2.969 ( -3.584 0.000 -4.660) 5.879 3.051 ( 2.279 0.000 -2.088) 3.091 3.067 ( 1.441 0.000 -9.475) 9.584 3.189 ( -1.375 0.000 -1.578) 2.093 3.241 ( 0.680 0.000 0.763) 1.022 3.280 ( 1.386 0.000 -0.521) 1.480 3.300 ( 0.779 0.000 0.095) 0.785 3.378 ( 5.017 0.000 -1.316) 5.187 3.423 ( 5.063 0.000 4.150) 6.547 3.634 ( -1.413 0.000 1.514) 2.071 3.738 ( -0.745 0.000 -3.681) 3.756 3.753 ( -0.773 0.000 -0.611) 0.985 4.680 ( -0.728 0.000 -0.628) 0.961 4.682 ( -0.036 0.000 0.085) 0.092 4.687 ( 1.344 0.000 -1.147) 1.767 4.709 ( 1.175 0.000 -0.904) 1.482 4.816 ( 0.939 0.000 1.184) 1.511 4.830 ( -0.254 0.000 0.104) 0.275 4.870 ( 0.308 0.000 1.238) 1.276 4.882 ( -1.781 0.000 -1.512) 2.336 4.983 ( 0.110 0.000 -1.423) 1.427 4.991 ( 1.147 0.000 1.180) 1.646 5.028 ( 3.464 0.000 -1.310) 3.703 5.049 ( 1.160 0.000 0.894) 1.464 5.221 ( 0.023 0.000 1.549) 1.549 5.261 ( -0.567 0.000 2.216) 2.287 5.288 ( 3.159 0.000 -1.613) 3.547 5.297 ( 1.980 0.000 3.174) 3.741 5.339 ( 1.690 0.000 2.130) 2.719 5.423 ( 2.039 0.000 -0.933) 2.243 5.443 ( 2.035 0.000 -0.341) 2.064 5.590 ( -4.556 0.000 -2.568) 5.230 5.663 ( -0.527 0.000 -0.201) 0.564 5.695 ( 6.909 0.000 -0.344) 6.918 5.714 ( -6.765 0.000 -3.600) 7.663 5.714 ( 1.518 0.000 -0.058) 1.519 5.830 ( -3.113 0.000 -1.319) 3.381 5.946 ( -5.921 0.000 -3.499) 6.878 5.970 ( -5.502 0.000 -11.170) 12.451 5.978 ( -5.557 0.000 -2.659) 6.160 7.427 ( -4.959 0.000 3.083) 5.839 7.438 ( -4.142 0.000 2.923) 5.070 7.671 ( 3.112 0.000 -3.349) 4.572 7.689 ( 2.090 0.000 -3.903) 4.427 7.993 ( 0.596 0.000 2.127) 2.209 8.034 ( -1.464 0.000 1.365) 2.002 8.219 ( 2.437 0.000 0.296) 2.455 8.224 ( 1.189 0.000 1.141) 1.648 8.574 ( 0.347 0.000 -1.085) 1.139 8.580 ( -0.039 0.000 -0.860) 0.861 8.730 ( -2.535 0.000 1.322) 2.860 8.744 ( 0.471 0.000 0.318) 0.568 8.835 ( 0.495 0.000 -0.608) 0.784 8.863 ( 0.574 0.000 -1.338) 1.456 8.958 ( 0.945 0.000 4.131) 4.238 8.991 ( 1.494 0.000 5.967) 6.151 9.010 ( 0.961 0.000 0.642) 1.156 9.097 ( 1.863 0.000 5.006) 5.341 9.181 ( 5.824 0.000 -0.763) 5.874 9.206 ( 5.003 0.000 0.306) 5.012 9.274 ( -0.282 0.000 1.330) 1.359 9.307 ( 0.326 0.000 3.671) 3.685 9.333 ( 3.376 0.000 2.265) 4.066 9.535 ( 7.821 0.000 -1.110) 7.899 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -3.182 0.000 19.784) 20.038 1.014 ( -2.764 0.000 5.818) 6.441 1.169 ( -6.043 0.000 11.352) 12.860 1.214 ( -5.464 0.000 12.626) 13.758 1.262 ( -2.761 0.000 5.968) 6.576 1.273 ( 8.340 0.000 14.586) 16.802 1.581 ( -3.962 0.000 2.223) 4.543 1.602 ( 4.583 0.000 -1.619) 4.860 1.689 ( -0.137 0.000 4.101) 4.103 1.736 ( -4.797 0.000 1.775) 5.115 1.744 ( -6.602 0.000 -4.261) 7.858 1.762 ( 2.781 0.000 -2.206) 3.550 1.817 ( 0.058 0.000 -4.064) 4.065 1.844 ( -7.405 0.000 -3.260) 8.091 1.858 ( 1.858 0.000 4.722) 5.075 1.931 ( -3.041 0.000 -4.094) 5.100 1.961 ( 2.054 0.000 -2.891) 3.546 1.963 ( 1.496 0.000 0.878) 1.734 1.995 ( 4.006 0.000 -9.184) 10.020 2.088 ( -2.856 0.000 1.601) 3.274 2.107 ( -4.238 0.000 -0.528) 4.271 2.114 ( 1.806 0.000 -1.299) 2.225 2.190 ( 1.050 0.000 0.523) 1.173 2.218 ( -3.843 0.000 -0.844) 3.935 2.227 ( 0.097 0.000 -5.174) 5.175 2.244 ( -1.312 0.000 0.006) 1.312 2.262 ( -0.003 0.000 -2.753) 2.753 2.304 ( 1.695 0.000 -2.438) 2.969 2.339 ( -0.787 0.000 0.439) 0.901 2.361 ( -3.515 0.000 0.241) 3.523 2.409 ( -1.734 0.000 -4.095) 4.447 2.444 ( -4.189 0.000 -1.722) 4.529 2.461 ( -1.489 0.000 0.857) 1.718 2.522 ( 3.572 0.000 6.996) 7.855 2.559 ( 2.304 0.000 1.391) 2.691 2.565 ( 4.720 0.000 4.219) 6.330 2.602 ( -0.205 0.000 1.272) 1.288 2.614 ( 4.822 0.000 2.604) 5.480 2.657 ( 2.547 0.000 3.184) 4.077 2.707 ( 2.382 0.000 3.753) 4.445 2.726 ( 3.940 0.000 3.881) 5.530 2.740 ( 0.483 0.000 -2.353) 2.402 2.767 ( -0.251 0.000 2.256) 2.270 2.905 ( 1.981 0.000 -4.601) 5.009 3.004 ( 1.477 0.000 3.404) 3.711 3.041 ( -0.660 0.000 -3.217) 3.284 3.042 ( 2.874 0.000 -7.527) 8.057 3.124 ( -2.847 0.000 -2.300) 3.659 3.221 ( -1.099 0.000 -0.048) 1.100 3.336 ( 3.958 0.000 0.366) 3.975 3.369 ( 4.097 0.000 1.742) 4.452 3.406 ( -0.737 0.000 -3.098) 3.184 3.483 ( -11.820 0.000 -2.637) 12.111 3.522 ( 0.463 0.000 5.513) 5.533 3.754 ( 2.302 0.000 -2.243) 3.214 3.810 ( 7.007 0.000 -0.257) 7.012 4.655 ( -1.920 0.000 -0.486) 1.980 4.656 ( -1.351 0.000 -0.384) 1.405 4.681 ( -1.353 0.000 -0.559) 1.464 4.692 ( -0.799 0.000 -1.898) 2.060 4.836 ( -0.366 0.000 -0.569) 0.677 4.850 ( 0.379 0.000 0.553) 0.671 4.868 ( 1.935 0.000 0.633) 2.036 4.891 ( 2.281 0.000 -0.168) 2.287 4.982 ( 0.327 0.000 0.427) 0.537 5.015 ( 0.372 0.000 1.708) 1.748 5.071 ( 0.620 0.000 -0.280) 0.681 5.079 ( 3.538 0.000 -4.230) 5.515 5.206 ( -3.971 0.000 1.549) 4.263 5.274 ( -1.080 0.000 -1.930) 2.211 5.292 ( 0.452 0.000 1.628) 1.690 5.296 ( -2.053 0.000 0.284) 2.073 5.376 ( 0.280 0.000 5.037) 5.045 5.395 ( -1.291 0.000 -1.199) 1.762 5.481 ( 1.765 0.000 -7.299) 7.510 5.562 ( -7.768 0.000 -1.556) 7.923 5.588 ( -4.542 0.000 -0.658) 4.589 5.596 ( 2.077 0.000 -1.664) 2.662 5.732 ( 0.399 0.000 -4.565) 4.582 5.775 ( 2.279 0.000 -1.645) 2.811 5.815 ( 1.577 0.000 3.884) 4.192 5.866 ( 0.012 0.000 -0.292) 0.292 5.892 ( 1.648 0.000 2.215) 2.761 5.939 ( 2.494 0.000 -0.431) 2.531 7.420 ( 0.397 0.000 2.983) 3.009 7.428 ( 0.189 0.000 2.595) 2.602 7.712 ( 3.395 0.000 -3.484) 4.865 7.713 ( 4.018 0.000 -2.905) 4.958 8.003 ( -2.429 0.000 0.399) 2.462 8.012 ( -0.430 0.000 1.583) 1.640 8.228 ( -1.332 0.000 0.093) 1.335 8.228 ( -1.105 0.000 0.509) 1.216 8.571 ( 0.357 0.000 -0.614) 0.710 8.571 ( -0.366 0.000 -0.764) 0.847 8.710 ( -1.318 0.000 2.116) 2.493 8.744 ( -1.549 0.000 1.568) 2.204 8.854 ( 2.012 0.000 -0.856) 2.187 8.885 ( 2.566 0.000 -1.731) 3.095 8.976 ( -0.148 0.000 1.007) 1.018 9.012 ( -0.876 0.000 -0.085) 0.880 9.058 ( 0.490 0.000 4.297) 4.325 9.139 ( -0.252 0.000 1.602) 1.621 9.222 ( 0.542 0.000 -1.961) 2.035 9.258 ( -2.374 0.000 0.943) 2.554 9.266 ( 2.496 0.000 -1.570) 2.949 9.336 ( -0.394 0.000 3.217) 3.241 9.401 ( 2.617 0.000 -1.113) 2.843 9.590 ( 1.325 0.000 -4.798) 4.977 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 5.129 0.000 8.066) 9.559 1.123 ( 6.936 0.000 10.744) 12.788 1.206 ( 5.160 0.000 7.764) 9.322 1.267 ( 3.119 0.000 6.190) 6.931 1.362 ( 5.607 0.000 7.085) 9.036 1.436 ( 2.919 0.000 -0.214) 2.927 1.537 ( -7.882 0.000 -3.412) 8.589 1.589 ( -1.714 0.000 -4.647) 4.953 1.613 ( -2.568 0.000 -1.547) 2.998 1.620 ( 0.064 0.000 3.715) 3.715 1.681 ( -2.262 0.000 -10.128) 10.378 1.727 ( -2.867 0.000 -1.622) 3.294 1.754 ( 1.356 0.000 -4.015) 4.238 1.784 ( 0.563 0.000 -6.569) 6.593 1.833 ( -2.451 0.000 0.132) 2.455 1.878 ( -3.817 0.000 -2.521) 4.574 1.943 ( -1.435 0.000 -0.907) 1.698 1.954 ( -0.858 0.000 -8.078) 8.124 1.994 ( -2.444 0.000 -2.961) 3.839 2.008 ( 0.275 0.000 -2.480) 2.495 2.069 ( -0.804 0.000 -0.497) 0.945 2.163 ( -0.473 0.000 -0.463) 0.662 2.164 ( -2.759 0.000 -1.621) 3.200 2.177 ( -0.731 0.000 -5.695) 5.741 2.181 ( 1.365 0.000 1.856) 2.304 2.211 ( -4.037 0.000 -1.784) 4.414 2.251 ( -4.330 0.000 -4.657) 6.359 2.278 ( -3.280 0.000 -4.010) 5.181 2.306 ( 0.381 0.000 1.041) 1.109 2.340 ( -2.464 0.000 -5.407) 5.942 2.363 ( 3.285 0.000 6.191) 7.008 2.409 ( 2.057 0.000 2.065) 2.915 2.434 ( 0.352 0.000 5.717) 5.728 2.501 ( -3.708 0.000 0.220) 3.715 2.594 ( 0.684 0.000 -0.802) 1.054 2.608 ( 1.020 0.000 1.628) 1.921 2.704 ( 2.348 0.000 2.490) 3.422 2.710 ( 3.184 0.000 -1.510) 3.524 2.727 ( 1.889 0.000 0.825) 2.061 2.744 ( 5.628 0.000 0.648) 5.665 2.749 ( -0.604 0.000 2.096) 2.181 2.772 ( 0.796 0.000 1.036) 1.306 2.873 ( 3.907 0.000 2.649) 4.720 2.959 ( 4.067 0.000 -0.608) 4.112 2.979 ( -2.706 0.000 -1.444) 3.068 3.032 ( -0.948 0.000 2.852) 3.006 3.062 ( 4.306 0.000 -3.781) 5.730 3.074 ( -0.593 0.000 -2.293) 2.368 3.185 ( -17.992 0.000 -1.752) 18.077 3.201 ( -0.915 0.000 -1.205) 1.513 3.325 ( -4.951 0.000 -2.266) 5.445 3.435 ( 4.335 0.000 3.372) 5.492 3.452 ( -1.653 0.000 2.887) 3.326 3.493 ( -3.622 0.000 5.058) 6.221 3.814 ( 5.193 0.000 -1.041) 5.296 3.930 ( 5.749 0.000 -0.868) 5.814 4.616 ( -1.774 0.000 -0.730) 1.918 4.623 ( -1.123 0.000 -1.804) 2.125 4.661 ( -0.361 0.000 1.432) 1.476 4.691 ( 1.306 0.000 0.990) 1.639 4.813 ( -1.395 0.000 -1.195) 1.837 4.824 ( -2.103 0.000 -1.567) 2.622 4.912 ( 1.498 0.000 0.921) 1.758 4.951 ( 3.079 0.000 0.538) 3.125 4.992 ( -0.287 0.000 1.245) 1.278 5.028 ( 0.158 0.000 0.775) 0.791 5.069 ( 0.169 0.000 -1.743) 1.751 5.112 ( 3.616 0.000 -2.749) 4.542 5.116 ( -4.961 0.000 0.094) 4.962 5.226 ( -1.106 0.000 -3.252) 3.435 5.271 ( -0.653 0.000 -2.956) 3.027 5.296 ( -1.218 0.000 -2.406) 2.697 5.351 ( -5.073 0.000 -0.221) 5.078 5.362 ( -1.355 0.000 -0.869) 1.610 5.404 ( -7.091 0.000 -2.359) 7.473 5.423 ( -1.385 0.000 -2.684) 3.020 5.556 ( 0.826 0.000 0.940) 1.251 5.604 ( 1.041 0.000 -2.016) 2.269 5.723 ( 0.956 0.000 -0.923) 1.329 5.799 ( 2.346 0.000 -0.557) 2.411 5.913 ( 2.923 0.000 6.416) 7.051 5.937 ( 4.593 0.000 4.424) 6.378 5.968 ( 2.183 0.000 6.333) 6.698 6.012 ( 3.935 0.000 1.301) 4.144 7.462 ( 2.014 0.000 1.635) 2.594 7.469 ( 2.368 0.000 1.640) 2.881 7.753 ( 3.417 0.000 -2.881) 4.470 7.766 ( 3.647 0.000 -2.177) 4.248 7.962 ( -1.618 0.000 -0.517) 1.698 7.992 ( -2.013 0.000 -0.951) 2.226 8.182 ( -3.396 0.000 -0.083) 3.397 8.200 ( -2.229 0.000 0.395) 2.263 8.563 ( 0.101 0.000 -0.261) 0.280 8.586 ( 1.375 0.000 0.473) 1.454 8.708 ( -1.113 0.000 3.186) 3.375 8.726 ( -1.542 0.000 2.076) 2.586 8.883 ( 2.158 0.000 -2.586) 3.368 8.892 ( -1.081 0.000 -1.117) 1.554 8.983 ( 1.150 0.000 -2.634) 2.875 8.984 ( -1.211 0.000 -1.454) 1.893 9.067 ( -1.585 0.000 1.073) 1.914 9.102 ( -3.010 0.000 -2.726) 4.061 9.180 ( -3.199 0.000 -1.726) 3.635 9.217 ( -2.705 0.000 1.388) 3.040 9.279 ( 1.514 0.000 -4.812) 5.044 9.336 ( -1.065 0.000 0.891) 1.389 9.404 ( 0.279 0.000 -4.551) 4.560 9.537 ( -2.037 0.000 -6.216) 6.542 ======================= Grid point 45 (26/50) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -8.386 0.000 -1.916) 8.602 1.268 ( 7.679 0.000 -0.046) 7.680 1.369 ( 0.977 0.000 -3.200) 3.346 1.382 ( 6.583 0.000 -1.775) 6.818 1.448 ( 6.132 0.000 4.407) 7.551 1.476 ( -7.993 0.000 -8.865) 11.937 1.501 ( 6.945 0.000 1.039) 7.022 1.506 ( 3.746 0.000 -3.115) 4.872 1.548 ( 0.090 0.000 -4.238) 4.239 1.608 ( 2.118 0.000 1.515) 2.604 1.643 ( 4.719 0.000 -1.321) 4.900 1.667 ( 4.171 0.000 5.487) 6.893 1.732 ( 0.154 0.000 -7.250) 7.252 1.794 ( 5.352 0.000 -3.499) 6.395 1.822 ( -3.453 0.000 -5.330) 6.351 1.853 ( 2.446 0.000 -4.562) 5.176 1.902 ( -1.708 0.000 -2.031) 2.654 1.917 ( 2.229 0.000 -4.438) 4.966 1.939 ( 4.969 0.000 -1.219) 5.117 1.986 ( -3.522 0.000 -1.250) 3.737 2.049 ( -1.677 0.000 -2.216) 2.779 2.087 ( -2.283 0.000 -2.807) 3.618 2.092 ( -6.538 0.000 1.711) 6.758 2.126 ( 0.612 0.000 -6.129) 6.160 2.143 ( 1.211 0.000 -4.905) 5.053 2.182 ( 1.881 0.000 -7.865) 8.087 2.219 ( -0.406 0.000 0.244) 0.473 2.236 ( 0.356 0.000 2.560) 2.584 2.259 ( -1.511 0.000 -6.130) 6.314 2.299 ( -0.713 0.000 3.695) 3.763 2.364 ( -1.150 0.000 -0.537) 1.269 2.427 ( -3.489 0.000 0.300) 3.502 2.463 ( 0.883 0.000 0.274) 0.925 2.492 ( -2.498 0.000 2.817) 3.765 2.590 ( -0.027 0.000 -0.719) 0.719 2.681 ( -4.453 0.000 1.494) 4.697 2.695 ( -3.899 0.000 2.170) 4.462 2.699 ( -0.138 0.000 -1.330) 1.337 2.739 ( -2.567 0.000 -0.892) 2.718 2.789 ( 0.330 0.000 -1.462) 1.499 2.800 ( 4.901 0.000 -2.712) 5.601 2.817 ( -18.992 0.000 1.430) 19.046 2.835 ( 1.578 0.000 3.684) 4.007 2.893 ( 5.995 0.000 5.969) 8.460 2.996 ( 0.381 0.000 -0.974) 1.046 3.010 ( -7.050 0.000 -1.256) 7.161 3.022 ( 3.544 0.000 1.486) 3.843 3.034 ( 0.205 0.000 -1.747) 1.759 3.114 ( 2.223 0.000 -0.593) 2.301 3.168 ( -1.070 0.000 -0.943) 1.427 3.261 ( -0.018 0.000 1.024) 1.025 3.288 ( -11.567 0.000 1.724) 11.694 3.534 ( 2.658 0.000 4.591) 5.305 3.558 ( 0.665 0.000 6.210) 6.245 3.891 ( 3.078 0.000 -0.258) 3.089 3.984 ( 1.227 0.000 -1.879) 2.244 4.586 ( -0.727 0.000 -0.903) 1.159 4.596 ( -0.165 0.000 -1.942) 1.949 4.688 ( 0.925 0.000 2.501) 2.667 4.744 ( 2.358 0.000 2.628) 3.530 4.771 ( -1.546 0.000 -1.866) 2.423 4.776 ( -1.226 0.000 -1.119) 1.660 4.935 ( 0.601 0.000 0.810) 1.009 4.966 ( -2.113 0.000 0.409) 2.152 5.003 ( 1.281 0.000 -1.384) 1.885 5.040 ( -1.694 0.000 0.345) 1.729 5.040 ( 0.663 0.000 0.354) 0.751 5.073 ( 0.322 0.000 -1.428) 1.463 5.158 ( 2.987 0.000 -4.407) 5.324 5.197 ( 0.523 0.000 -2.863) 2.911 5.211 ( -3.755 0.000 -3.297) 4.997 5.237 ( 0.601 0.000 -3.961) 4.006 5.255 ( -3.981 0.000 -1.189) 4.155 5.284 ( -2.939 0.000 -3.402) 4.496 5.345 ( -0.844 0.000 0.227) 0.874 5.390 ( -1.639 0.000 -0.316) 1.670 5.587 ( 0.978 0.000 1.118) 1.486 5.622 ( 1.992 0.000 -0.427) 2.037 5.750 ( 1.362 0.000 2.042) 2.454 5.850 ( 2.959 0.000 0.412) 2.987 5.974 ( -0.388 0.000 4.128) 4.146 6.059 ( 0.854 0.000 8.726) 8.768 6.070 ( 4.940 0.000 6.560) 8.212 6.086 ( 3.006 0.000 1.654) 3.431 7.517 ( 2.952 0.000 1.490) 3.307 7.535 ( 3.473 0.000 1.595) 3.821 7.773 ( 0.848 0.000 -3.149) 3.261 7.793 ( 0.418 0.000 -2.535) 2.569 7.948 ( -0.365 0.000 -1.861) 1.897 7.960 ( 2.062 0.000 0.167) 2.068 8.118 ( -2.948 0.000 -0.314) 2.965 8.153 ( -3.084 0.000 -0.317) 3.100 8.574 ( 0.858 0.000 0.981) 1.304 8.626 ( 1.585 0.000 2.509) 2.967 8.720 ( -0.506 0.000 4.108) 4.139 8.731 ( 0.419 0.000 2.489) 2.524 8.843 ( -2.449 0.000 -2.052) 3.195 8.874 ( -0.396 0.000 -4.597) 4.614 8.940 ( -3.340 0.000 -2.935) 4.447 8.957 ( -0.073 0.000 -2.722) 2.723 8.976 ( -5.245 0.000 -4.881) 7.165 9.080 ( 1.373 0.000 -1.801) 2.264 9.095 ( -4.281 0.000 -1.365) 4.494 9.181 ( -2.040 0.000 0.694) 2.155 9.244 ( 0.275 0.000 -9.092) 9.096 9.320 ( -0.493 0.000 -1.089) 1.195 9.350 ( -1.408 0.000 -5.834) 6.001 9.440 ( -2.872 0.000 -6.464) 7.073 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -13.489 0.000 -1.950) 13.629 1.049 ( -17.919 0.000 -8.652) 19.898 1.336 ( 1.050 0.000 -6.278) 6.365 1.429 ( 0.365 0.000 1.812) 1.849 1.452 ( -1.815 0.000 -1.992) 2.695 1.457 ( 2.199 0.000 -3.925) 4.499 1.587 ( 5.975 0.000 2.316) 6.409 1.595 ( 5.603 0.000 -0.105) 5.603 1.656 ( 4.985 0.000 1.903) 5.335 1.665 ( -1.924 0.000 -2.750) 3.357 1.753 ( 7.366 0.000 -1.903) 7.608 1.770 ( 1.758 0.000 -6.367) 6.605 1.809 ( 6.674 0.000 -3.314) 7.452 1.845 ( 8.194 0.000 0.233) 8.197 1.847 ( -2.768 0.000 -6.211) 6.800 1.869 ( 6.011 0.000 -0.789) 6.063 1.892 ( -2.029 0.000 -4.006) 4.490 1.893 ( 7.583 0.000 1.882) 7.813 1.925 ( 6.577 0.000 -1.842) 6.830 1.995 ( 3.321 0.000 -2.646) 4.246 2.062 ( 2.920 0.000 -3.438) 4.510 2.063 ( 5.927 0.000 -2.527) 6.443 2.092 ( 2.870 0.000 -2.654) 3.909 2.106 ( 2.217 0.000 -4.342) 4.875 2.143 ( 0.544 0.000 -2.808) 2.860 2.161 ( 1.502 0.000 -4.157) 4.420 2.213 ( 0.827 0.000 -3.135) 3.242 2.216 ( -7.673 0.000 4.547) 8.919 2.250 ( 3.030 0.000 -0.558) 3.081 2.288 ( -6.874 0.000 1.814) 7.110 2.328 ( -2.600 0.000 3.922) 4.705 2.364 ( -2.934 0.000 -0.748) 3.027 2.419 ( -9.635 0.000 -2.798) 10.033 2.455 ( -2.200 0.000 0.550) 2.268 2.468 ( 0.535 0.000 0.677) 0.863 2.597 ( -0.412 0.000 2.004) 2.046 2.601 ( -6.896 0.000 0.320) 6.903 2.624 ( -5.466 0.000 1.607) 5.698 2.681 ( -2.021 0.000 0.867) 2.199 2.694 ( -3.839 0.000 1.407) 4.089 2.787 ( -5.438 0.000 2.493) 5.983 2.834 ( -0.589 0.000 0.354) 0.687 2.835 ( -5.227 0.000 0.746) 5.280 2.849 ( -4.587 0.000 -0.885) 4.671 2.906 ( -4.824 0.000 -0.306) 4.834 3.054 ( 3.518 0.000 -2.151) 4.124 3.089 ( 3.528 0.000 -0.402) 3.551 3.100 ( -1.735 0.000 -2.362) 2.931 3.115 ( 8.452 0.000 3.963) 9.335 3.146 ( -1.253 0.000 -0.796) 1.485 3.188 ( -0.016 0.000 0.940) 0.940 3.309 ( 3.134 0.000 2.424) 3.962 3.580 ( -3.599 0.000 5.828) 6.850 3.586 ( -0.790 0.000 4.197) 4.270 3.909 ( -0.752 0.000 -0.740) 1.055 3.958 ( -1.944 0.000 -1.802) 2.650 4.577 ( 0.624 0.000 -1.240) 1.388 4.588 ( 0.823 0.000 -1.674) 1.865 4.706 ( -0.358 0.000 0.767) 0.846 4.733 ( -0.547 0.000 -1.616) 1.707 4.765 ( -0.016 0.000 0.886) 0.886 4.814 ( 1.777 0.000 3.461) 3.891 4.919 ( -2.178 0.000 -1.105) 2.442 4.947 ( 0.133 0.000 -0.068) 0.149 5.001 ( 0.729 0.000 -1.574) 1.734 5.031 ( -0.283 0.000 0.239) 0.371 5.061 ( 0.648 0.000 0.514) 0.827 5.079 ( 1.110 0.000 -0.353) 1.165 5.107 ( -3.364 0.000 -3.383) 4.771 5.160 ( 2.132 0.000 -3.765) 4.327 5.182 ( 0.045 0.000 -6.007) 6.007 5.196 ( -1.797 0.000 -0.263) 1.816 5.239 ( 2.170 0.000 -3.093) 3.778 5.291 ( 4.761 0.000 -0.260) 4.768 5.336 ( -0.899 0.000 1.060) 1.390 5.357 ( -1.502 0.000 0.264) 1.524 5.602 ( 0.054 0.000 0.513) 0.516 5.666 ( 2.870 0.000 -0.079) 2.871 5.788 ( 0.597 0.000 2.116) 2.198 5.902 ( 2.504 0.000 -0.234) 2.515 5.976 ( -2.065 0.000 2.972) 3.619 6.126 ( 0.702 0.000 5.807) 5.849 6.138 ( 1.366 0.000 1.756) 2.224 6.209 ( 4.558 0.000 5.847) 7.414 7.600 ( 4.620 0.000 2.684) 5.343 7.612 ( 2.969 0.000 2.013) 3.587 7.743 ( -1.889 0.000 -4.289) 4.686 7.748 ( 0.135 0.000 -3.619) 3.622 7.968 ( 2.374 0.000 0.951) 2.558 8.018 ( 1.947 0.000 1.826) 2.669 8.081 ( -3.785 0.000 -2.295) 4.426 8.089 ( 1.027 0.000 -1.460) 1.785 8.611 ( 1.637 0.000 2.546) 3.027 8.667 ( -0.455 0.000 3.448) 3.477 8.749 ( 0.011 0.000 3.696) 3.696 8.766 ( -0.602 0.000 -1.153) 1.300 8.789 ( 0.277 0.000 0.894) 0.936 8.799 ( -3.715 0.000 -5.130) 6.334 8.853 ( -3.468 0.000 -0.588) 3.517 8.871 ( -1.743 0.000 -2.603) 3.133 8.929 ( -0.319 0.000 -2.767) 2.786 9.020 ( -3.029 0.000 -1.842) 3.545 9.064 ( -1.619 0.000 -2.872) 3.297 9.153 ( -1.019 0.000 -11.420) 11.465 9.174 ( 1.222 0.000 0.195) 1.238 9.287 ( -0.613 0.000 -4.493) 4.534 9.303 ( -0.232 0.000 -1.610) 1.626 9.346 ( -2.429 0.000 -4.916) 5.484 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -12.980 0.000 7.389) 14.936 0.759 ( -12.526 0.000 7.587) 14.645 1.322 ( 2.043 0.000 -1.337) 2.442 1.424 ( -7.300 0.000 7.504) 10.469 1.439 ( -3.098 0.000 2.609) 4.050 1.467 ( 4.345 0.000 -2.890) 5.218 1.566 ( -3.035 0.000 -0.382) 3.059 1.617 ( -6.197 0.000 6.545) 9.014 1.681 ( -3.528 0.000 -0.015) 3.528 1.699 ( 5.790 0.000 -5.150) 7.749 1.779 ( -16.285 0.000 8.032) 18.158 1.783 ( 0.637 0.000 -1.442) 1.577 1.796 ( 5.896 0.000 -4.540) 7.441 1.835 ( 1.097 0.000 0.230) 1.121 1.887 ( 3.975 0.000 -3.253) 5.136 1.925 ( 5.526 0.000 -2.114) 5.916 1.978 ( 4.395 0.000 -1.088) 4.528 2.007 ( 2.936 0.000 -2.689) 3.982 2.038 ( 0.437 0.000 3.734) 3.759 2.059 ( 8.204 0.000 -6.159) 10.258 2.063 ( 3.029 0.000 -7.773) 8.342 2.080 ( 6.972 0.000 0.455) 6.986 2.108 ( 0.192 0.000 -1.707) 1.717 2.164 ( 4.271 0.000 -4.844) 6.458 2.172 ( 7.287 0.000 -5.192) 8.948 2.187 ( 3.634 0.000 -2.077) 4.186 2.192 ( 2.399 0.000 -5.622) 6.113 2.227 ( -0.037 0.000 -4.043) 4.043 2.251 ( 5.940 0.000 1.672) 6.171 2.303 ( -2.096 0.000 -3.065) 3.714 2.318 ( 4.883 0.000 0.242) 4.889 2.320 ( 1.237 0.000 2.249) 2.567 2.354 ( 0.562 0.000 3.251) 3.299 2.420 ( -6.070 0.000 1.471) 6.246 2.494 ( -3.994 0.000 2.054) 4.491 2.500 ( 0.875 0.000 1.450) 1.694 2.537 ( -6.688 0.000 5.133) 8.430 2.544 ( -7.293 0.000 2.743) 7.792 2.648 ( -2.211 0.000 3.092) 3.801 2.659 ( -5.466 0.000 -0.443) 5.484 2.717 ( 4.125 0.000 7.695) 8.731 2.736 ( -1.880 0.000 -1.155) 2.207 2.793 ( -3.519 0.000 -0.069) 3.519 2.849 ( 0.509 0.000 3.408) 3.446 2.889 ( 0.145 0.000 -0.998) 1.009 3.037 ( -1.012 0.000 2.623) 2.812 3.119 ( 0.124 0.000 -2.334) 2.337 3.134 ( 2.807 0.000 -1.801) 3.335 3.172 ( 5.924 0.000 -0.093) 5.925 3.184 ( 0.477 0.000 -3.962) 3.990 3.218 ( 1.874 0.000 0.580) 1.962 3.401 ( 3.431 0.000 1.368) 3.694 3.513 ( -7.575 0.000 3.927) 8.533 3.572 ( -2.860 0.000 2.984) 4.133 3.862 ( -3.372 0.000 -0.657) 3.436 3.901 ( -2.786 0.000 -1.620) 3.223 4.591 ( 1.983 0.000 -1.258) 2.348 4.605 ( 2.255 0.000 -0.923) 2.437 4.701 ( -0.657 0.000 0.723) 0.977 4.719 ( -0.377 0.000 -0.279) 0.469 4.774 ( 0.289 0.000 0.872) 0.919 4.850 ( 0.350 0.000 0.595) 0.690 4.880 ( -1.749 0.000 0.545) 1.832 4.940 ( -0.613 0.000 -0.252) 0.663 5.001 ( -0.071 0.000 -1.429) 1.431 5.020 ( -3.204 0.000 -2.482) 4.053 5.033 ( 0.655 0.000 -0.084) 0.660 5.059 ( -1.211 0.000 -0.237) 1.234 5.112 ( 2.786 0.000 0.283) 2.800 5.165 ( 2.772 0.000 -3.596) 4.540 5.192 ( 0.483 0.000 2.306) 2.356 5.209 ( 4.878 0.000 -2.156) 5.334 5.252 ( 1.113 0.000 -1.964) 2.258 5.322 ( -0.869 0.000 0.256) 0.906 5.361 ( 2.062 0.000 0.332) 2.088 5.404 ( 7.432 0.000 -0.159) 7.434 5.602 ( -0.089 0.000 0.110) 0.141 5.712 ( 2.378 0.000 -1.618) 2.876 5.791 ( -1.717 0.000 1.205) 2.098 5.926 ( 0.942 0.000 -2.776) 2.931 5.951 ( -2.574 0.000 1.428) 2.943 6.150 ( -1.290 0.000 0.345) 1.335 6.170 ( 1.911 0.000 -1.714) 2.567 6.293 ( 0.626 0.000 0.409) 0.748 7.639 ( -1.717 0.000 0.070) 1.719 7.670 ( 1.144 0.000 -3.515) 3.696 7.684 ( -1.613 0.000 -3.061) 3.460 7.794 ( 6.691 0.000 1.403) 6.837 7.996 ( -2.214 0.000 -3.096) 3.806 8.013 ( -3.171 0.000 -4.667) 5.642 8.044 ( 4.302 0.000 3.302) 5.423 8.099 ( 0.424 0.000 -1.515) 1.574 8.622 ( -3.370 0.000 -1.776) 3.809 8.679 ( 3.778 0.000 6.111) 7.185 8.695 ( -3.917 0.000 -1.068) 4.060 8.760 ( -0.563 0.000 0.937) 1.093 8.767 ( 0.733 0.000 2.054) 2.181 8.787 ( -0.384 0.000 0.077) 0.391 8.870 ( 1.118 0.000 2.199) 2.467 8.880 ( 1.751 0.000 6.423) 6.657 8.922 ( -0.339 0.000 -1.930) 1.959 8.950 ( -1.427 0.000 -0.051) 1.428 8.999 ( -2.011 0.000 -3.137) 3.726 9.081 ( 1.639 0.000 -6.123) 6.339 9.211 ( 2.074 0.000 0.777) 2.215 9.268 ( 0.443 0.000 -1.384) 1.453 9.287 ( -0.557 0.000 -0.485) 0.739 9.293 ( 0.412 0.000 -1.629) 1.681 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -1.774 0.000 20.198) 20.276 0.784 ( 3.379 0.000 24.431) 24.664 1.269 ( -10.728 0.000 1.475) 10.829 1.319 ( -10.096 0.000 4.537) 11.069 1.394 ( -20.179 0.000 19.867) 28.317 1.412 ( 1.238 0.000 4.106) 4.288 1.525 ( -9.014 0.000 5.041) 10.328 1.565 ( -9.680 0.000 10.989) 14.644 1.573 ( 4.204 0.000 5.291) 6.758 1.751 ( 4.864 0.000 -2.511) 5.474 1.758 ( 3.318 0.000 1.083) 3.490 1.782 ( -0.609 0.000 -8.413) 8.435 1.807 ( 3.555 0.000 -0.566) 3.600 1.869 ( 4.661 0.000 -4.235) 6.298 1.929 ( -2.243 0.000 1.502) 2.699 1.965 ( 3.045 0.000 -2.602) 4.005 2.026 ( 1.845 0.000 -2.158) 2.839 2.038 ( -2.057 0.000 -0.729) 2.183 2.043 ( 3.216 0.000 -4.284) 5.357 2.071 ( -1.652 0.000 -1.238) 2.064 2.109 ( 4.031 0.000 -0.315) 4.043 2.126 ( 3.153 0.000 -1.388) 3.445 2.157 ( 2.274 0.000 0.498) 2.328 2.183 ( 4.402 0.000 -4.579) 6.352 2.196 ( 3.835 0.000 -9.163) 9.933 2.233 ( 1.949 0.000 -1.350) 2.371 2.250 ( 5.458 0.000 -2.618) 6.054 2.280 ( -2.288 0.000 1.306) 2.635 2.308 ( 1.663 0.000 2.574) 3.064 2.315 ( 1.089 0.000 0.686) 1.287 2.330 ( 6.328 0.000 -0.590) 6.355 2.382 ( 0.373 0.000 -0.111) 0.389 2.410 ( 4.689 0.000 -2.688) 5.405 2.436 ( 0.833 0.000 2.665) 2.792 2.443 ( 0.176 0.000 3.031) 3.036 2.462 ( -2.172 0.000 1.761) 2.796 2.522 ( -0.149 0.000 2.082) 2.087 2.537 ( 2.997 0.000 0.579) 3.053 2.578 ( -2.754 0.000 1.307) 3.048 2.642 ( -1.320 0.000 2.762) 3.062 2.712 ( -3.263 0.000 0.758) 3.350 2.741 ( -0.814 0.000 0.869) 1.191 2.833 ( -1.070 0.000 4.557) 4.681 2.890 ( -0.117 0.000 2.901) 2.904 2.940 ( 8.770 0.000 2.988) 9.265 3.048 ( -2.145 0.000 0.035) 2.145 3.120 ( 1.165 0.000 -5.241) 5.369 3.159 ( 4.289 0.000 -3.516) 5.546 3.171 ( 2.793 0.000 -1.983) 3.426 3.253 ( 2.388 0.000 1.267) 2.704 3.292 ( 5.930 0.000 1.670) 6.160 3.380 ( -4.355 0.000 -1.235) 4.527 3.387 ( -7.650 0.000 1.873) 7.875 3.587 ( 1.859 0.000 2.717) 3.292 3.794 ( -3.338 0.000 -0.130) 3.340 3.827 ( -3.671 0.000 -2.846) 4.645 4.633 ( 3.323 0.000 -0.452) 3.354 4.654 ( 3.249 0.000 -0.195) 3.255 4.692 ( -0.668 0.000 0.406) 0.782 4.707 ( -0.770 0.000 -0.229) 0.803 4.793 ( 0.864 0.000 0.998) 1.320 4.846 ( -0.221 0.000 -1.232) 1.251 4.865 ( -1.237 0.000 2.253) 2.570 4.926 ( -1.448 0.000 -0.362) 1.492 4.962 ( -0.339 0.000 -0.716) 0.792 4.987 ( -0.027 0.000 -0.690) 0.691 5.028 ( -1.843 0.000 -0.021) 1.843 5.038 ( 0.134 0.000 -0.630) 0.644 5.181 ( 3.523 0.000 0.746) 3.601 5.219 ( 5.045 0.000 -2.197) 5.502 5.245 ( 3.900 0.000 1.317) 4.116 5.258 ( 0.094 0.000 2.537) 2.539 5.262 ( 0.048 0.000 1.114) 1.115 5.342 ( 4.704 0.000 -1.022) 4.814 5.419 ( 2.429 0.000 0.980) 2.619 5.550 ( 8.533 0.000 -0.285) 8.538 5.613 ( 2.155 0.000 -0.452) 2.202 5.706 ( -1.216 0.000 -4.477) 4.640 5.752 ( -3.059 0.000 0.717) 3.142 5.872 ( -3.860 0.000 -6.417) 7.489 5.901 ( -3.378 0.000 -0.390) 3.400 6.084 ( -5.342 0.000 -1.960) 5.690 6.135 ( -1.374 0.000 -10.856) 10.942 6.177 ( -10.519 0.000 -6.402) 12.314 7.539 ( -7.917 0.000 0.937) 7.973 7.594 ( -9.014 0.000 -6.312) 11.004 7.656 ( 1.408 0.000 -3.716) 3.974 7.719 ( -4.670 0.000 -5.192) 6.983 7.972 ( 0.311 0.000 0.267) 0.410 8.014 ( 3.775 0.000 1.253) 3.977 8.138 ( 3.626 0.000 2.836) 4.604 8.157 ( 4.531 0.000 2.767) 5.309 8.576 ( -0.095 0.000 -1.604) 1.607 8.613 ( -3.027 0.000 -1.866) 3.556 8.749 ( -1.030 0.000 -0.471) 1.132 8.759 ( -0.745 0.000 1.227) 1.435 8.858 ( -2.597 0.000 -1.442) 2.971 8.860 ( 2.619 0.000 5.310) 5.921 8.884 ( -0.556 0.000 0.821) 0.992 8.919 ( 11.967 0.000 7.010) 13.869 8.943 ( 0.689 0.000 3.957) 4.017 8.997 ( 4.950 0.000 2.348) 5.479 9.011 ( 2.528 0.000 5.175) 5.760 9.125 ( 4.393 0.000 -0.285) 4.403 9.253 ( 1.421 0.000 1.209) 1.865 9.277 ( 1.276 0.000 1.151) 1.718 9.282 ( -0.346 0.000 1.949) 1.979 9.366 ( 6.931 0.000 2.940) 7.529 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 4.103 -3.940 20.050) 20.841 0.898 ( -3.922 -10.559 9.964) 15.038 1.044 ( -14.060 5.591 21.607) 26.378 1.172 ( -15.758 -8.857 17.334) 25.045 1.382 ( -6.960 10.328 6.697) 14.141 1.490 ( -3.582 2.757 7.126) 8.438 1.570 ( 2.785 7.758 6.460) 10.472 1.636 ( -3.752 11.951 9.167) 15.522 1.653 ( -2.925 2.796 5.398) 6.746 1.716 ( 0.865 -3.988 1.220) 4.260 1.736 ( 2.210 0.091 -6.162) 6.547 1.825 ( 0.687 0.597 0.279) 0.952 1.827 ( -2.264 -2.665 0.968) 3.628 1.894 ( 2.320 -1.515 1.572) 3.186 1.932 ( 3.188 -0.496 -3.888) 5.052 1.960 ( -2.216 -1.896 -2.112) 3.601 1.962 ( 3.146 -3.578 -3.567) 5.952 1.983 ( -2.422 0.804 0.309) 2.571 2.022 ( 1.219 -7.093 3.173) 7.866 2.042 ( 0.650 1.216 -6.187) 6.339 2.099 ( 3.161 -6.224 2.421) 7.389 2.114 ( 1.789 -3.755 -6.483) 7.703 2.170 ( -0.391 1.696 -1.078) 2.047 2.186 ( 1.044 2.773 2.583) 3.931 2.208 ( 3.309 0.439 1.407) 3.622 2.233 ( 0.404 -2.703 -1.960) 3.364 2.274 ( 0.779 -1.772 0.161) 1.942 2.294 ( -1.404 -0.748 0.391) 1.638 2.306 ( 4.402 0.938 -3.691) 5.821 2.322 ( 0.875 -0.899 -1.055) 1.639 2.359 ( -0.172 -1.153 -0.833) 1.433 2.381 ( 1.619 -3.790 -1.766) 4.484 2.471 ( 0.908 1.924 2.876) 3.577 2.493 ( 0.495 -0.042 1.369) 1.457 2.498 ( 0.973 0.778 1.537) 1.979 2.515 ( 2.625 1.393 -0.022) 2.971 2.587 ( 1.172 1.429 1.486) 2.372 2.616 ( 2.093 -1.215 1.026) 2.628 2.656 ( -2.451 2.931 2.039) 4.330 2.675 ( -2.186 3.782 1.780) 4.717 2.689 ( 1.965 2.196 1.164) 3.168 2.727 ( 0.081 -1.208 -0.909) 1.514 2.834 ( -0.750 5.366 3.620) 6.516 2.933 ( 1.658 -2.491 2.930) 4.188 2.987 ( -1.196 1.702 -6.145) 6.488 3.029 ( -0.070 -2.218 -5.760) 6.173 3.095 ( 1.508 3.003 -1.258) 3.588 3.147 ( 0.706 -3.006 0.039) 3.088 3.212 ( 1.782 -2.537 0.127) 3.103 3.224 ( -1.363 -3.431 0.287) 3.703 3.321 ( 4.961 2.182 -0.149) 5.422 3.357 ( 4.735 -1.594 -0.935) 5.083 3.515 ( 1.167 6.313 1.826) 6.674 3.603 ( -0.854 -3.571 1.511) 3.971 3.741 ( -0.669 0.341 -2.841) 2.938 3.749 ( -0.652 -0.437 -1.347) 1.559 4.673 ( -0.382 -0.075 0.427) 0.578 4.677 ( -1.092 -0.253 -0.060) 1.122 4.687 ( 1.424 0.062 -1.035) 1.761 4.697 ( 1.810 -1.076 -0.801) 2.253 4.820 ( 0.746 0.446 1.083) 1.389 4.828 ( 0.081 -0.338 0.493) 0.603 4.886 ( -2.045 1.588 -1.737) 3.118 4.904 ( -1.073 0.255 -2.590) 2.815 4.984 ( 1.334 0.614 0.396) 1.521 5.000 ( 1.239 -0.894 0.158) 1.536 5.033 ( 3.192 2.938 -1.483) 4.585 5.065 ( 2.129 0.254 -0.450) 2.191 5.206 ( 0.164 -0.859 1.764) 1.969 5.223 ( 1.730 -2.771 0.624) 3.326 5.283 ( 1.680 0.479 1.779) 2.493 5.294 ( 1.697 -0.503 2.737) 3.260 5.402 ( 4.589 3.875 -0.309) 6.014 5.427 ( 3.736 0.148 -1.114) 3.901 5.460 ( -2.455 2.226 -0.118) 3.316 5.532 ( -4.433 -4.988 -0.837) 6.726 5.663 ( 0.070 0.263 -0.657) 0.711 5.677 ( 3.297 -1.198 -0.454) 3.537 5.733 ( -2.806 1.364 -2.605) 4.065 5.741 ( -0.167 0.925 -1.503) 1.772 5.860 ( -3.463 3.152 -4.047) 6.190 5.917 ( -4.614 -2.884 -6.671) 8.609 5.971 ( -5.983 0.563 -4.344) 7.415 5.982 ( -6.660 -0.275 -4.955) 8.306 7.430 ( -4.767 0.313 3.012) 5.647 7.435 ( -4.357 -0.267 2.927) 5.256 7.675 ( 2.910 0.410 -3.431) 4.518 7.684 ( 2.404 -0.547 -3.697) 4.444 8.004 ( 0.213 1.122 1.936) 2.248 8.024 ( -0.812 -1.021 1.551) 2.027 8.218 ( 2.063 0.027 0.707) 2.180 8.221 ( 1.432 -0.269 1.022) 1.780 8.580 ( 0.246 0.455 -1.340) 1.436 8.583 ( -0.005 0.164 -1.209) 1.220 8.731 ( -1.932 0.161 1.305) 2.337 8.738 ( -0.410 -0.538 0.817) 1.061 8.843 ( 0.639 0.805 -0.868) 1.345 8.857 ( 0.612 -0.663 -1.232) 1.527 8.962 ( 0.901 0.495 4.015) 4.144 8.976 ( 0.924 -0.993 4.074) 4.294 9.035 ( 2.047 2.076 3.164) 4.302 9.074 ( 2.515 -2.166 4.430) 5.535 9.190 ( 4.814 0.812 -0.512) 4.909 9.202 ( 4.654 -0.481 -0.043) 4.679 9.278 ( -0.409 0.439 1.667) 1.772 9.289 ( -0.227 -0.925 2.417) 2.597 9.386 ( 4.930 4.829 2.912) 7.490 9.481 ( 6.924 -5.343 0.994) 8.803 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -2.597 2.304 17.954) 18.286 0.996 ( 2.870 1.500 12.780) 13.184 1.094 ( -5.265 -4.242 16.651) 17.971 1.142 ( 7.847 -9.361 17.654) 21.468 1.316 ( -5.029 7.304 6.508) 11.000 1.397 ( -6.027 5.163 2.821) 8.423 1.512 ( -6.595 0.695 2.451) 7.070 1.649 ( -0.615 -1.279 0.886) 1.673 1.672 ( -5.107 -1.829 -5.650) 7.833 1.713 ( -1.512 -2.379 -0.589) 2.880 1.748 ( 1.378 -0.158 -2.283) 2.671 1.758 ( 1.756 -0.707 -3.745) 4.196 1.825 ( -7.420 0.246 -3.658) 8.276 1.855 ( -3.397 -0.784 -4.168) 5.434 1.888 ( -1.862 2.555 -2.375) 3.954 1.942 ( 2.259 2.498 -0.762) 3.453 1.965 ( 0.223 3.141 -0.023) 3.149 2.007 ( 2.298 4.209 0.626) 4.837 2.020 ( 1.812 0.340 -5.360) 5.668 2.043 ( 0.656 -3.278 -2.098) 3.947 2.107 ( 3.263 -0.650 -2.378) 4.089 2.133 ( -3.254 0.410 0.813) 3.379 2.157 ( -1.377 2.529 1.366) 3.187 2.206 ( -3.075 -1.184 0.949) 3.429 2.220 ( -1.238 -1.704 1.337) 2.494 2.250 ( 0.264 -3.013 -1.514) 3.383 2.265 ( 0.929 1.097 -2.378) 2.779 2.294 ( 1.039 -0.957 2.461) 2.838 2.342 ( 1.892 2.335 -0.540) 3.053 2.367 ( 0.274 -2.659 1.247) 2.949 2.384 ( 0.460 -3.831 0.561) 3.899 2.404 ( 3.500 -4.835 1.918) 6.270 2.453 ( -2.543 2.473 0.476) 3.579 2.489 ( -2.406 -0.703 0.469) 2.550 2.552 ( 4.342 1.307 5.189) 6.891 2.565 ( 0.172 0.231 0.139) 0.320 2.600 ( -0.968 0.484 2.551) 2.771 2.615 ( 0.661 0.384 1.688) 1.853 2.665 ( 0.711 -0.615 2.003) 2.213 2.676 ( 1.574 -1.804 1.866) 3.035 2.722 ( 1.157 -0.077 0.037) 1.160 2.738 ( 1.117 -0.812 -0.900) 1.648 2.866 ( 2.143 7.015 -1.815) 7.556 2.940 ( 1.546 2.053 -4.198) 4.922 2.970 ( 2.294 -2.564 -4.858) 5.953 3.007 ( 1.069 -2.075 0.033) 2.334 3.104 ( 0.301 4.127 -0.789) 4.212 3.149 ( -0.393 1.509 -0.022) 1.559 3.203 ( -0.097 -0.695 -0.347) 0.783 3.263 ( 2.841 -5.398 0.736) 6.144 3.388 ( 1.158 0.674 -1.384) 1.926 3.401 ( -0.262 -0.772 -2.526) 2.654 3.504 ( -7.352 1.820 0.737) 7.610 3.524 ( -2.442 -0.246 4.121) 4.797 3.767 ( 3.922 1.399 -1.892) 4.573 3.795 ( 6.195 -1.525 -0.858) 6.437 4.648 ( -1.642 -0.284 -0.138) 1.672 4.650 ( -1.720 -0.469 -0.244) 1.799 4.688 ( -0.847 0.520 -0.905) 1.344 4.693 ( -0.692 -0.052 -1.495) 1.648 4.840 ( -0.345 0.404 -0.217) 0.574 4.847 ( 0.153 -0.299 0.453) 0.563 4.872 ( 2.149 0.710 0.501) 2.318 4.888 ( 1.861 -0.744 -0.527) 2.072 5.000 ( 0.240 1.490 -0.570) 1.613 5.019 ( 0.741 -0.340 0.216) 0.843 5.060 ( 0.755 0.973 -1.009) 1.592 5.088 ( 0.931 -0.794 -1.682) 2.080 5.207 ( -1.614 0.935 0.732) 2.004 5.243 ( 0.158 -2.571 -0.932) 2.739 5.299 ( -1.126 0.975 0.423) 1.548 5.312 ( -1.734 0.015 0.656) 1.854 5.398 ( -1.160 2.445 2.640) 3.781 5.409 ( -1.008 1.405 -1.285) 2.154 5.461 ( 0.328 -1.233 -4.193) 4.383 5.500 ( -2.852 -4.909 -0.722) 5.723 5.596 ( -3.002 2.484 -2.222) 4.485 5.630 ( -2.314 -0.410 -1.853) 2.993 5.740 ( 0.532 1.298 -3.529) 3.797 5.765 ( 1.183 -1.127 -2.095) 2.657 5.828 ( 1.578 1.288 2.728) 3.405 5.853 ( 1.229 -1.319 1.429) 2.300 5.907 ( 1.412 1.414 0.775) 2.143 5.930 ( 2.110 -1.024 -0.055) 2.346 7.422 ( 0.351 0.210 2.889) 2.918 7.426 ( 0.246 -0.198 2.696) 2.714 7.712 ( 3.610 0.006 -3.284) 4.881 7.713 ( 3.821 -0.049 -3.111) 4.927 8.006 ( -1.964 0.301 0.628) 2.084 8.011 ( -0.969 -0.171 1.214) 1.563 8.227 ( -1.209 -0.011 0.273) 1.239 8.228 ( -1.101 -0.039 0.475) 1.199 8.571 ( -0.108 0.112 -0.693) 0.711 8.573 ( -0.144 -0.023 -0.785) 0.799 8.718 ( -1.246 0.882 2.043) 2.550 8.735 ( -1.371 -0.920 1.763) 2.416 8.862 ( 2.105 0.802 -1.118) 2.515 8.877 ( 2.407 -0.813 -1.573) 2.988 8.981 ( -0.345 0.605 1.118) 1.318 8.996 ( -0.609 -1.129 0.950) 1.597 9.085 ( 0.219 2.305 2.960) 3.758 9.122 ( -0.097 -1.770 1.988) 2.664 9.232 ( 0.609 0.999 -1.730) 2.089 9.249 ( -0.027 -0.837 -0.848) 1.192 9.275 ( 0.313 0.986 0.357) 1.094 9.302 ( -0.000 -2.202 1.760) 2.819 9.460 ( 1.973 5.060 -1.091) 5.540 9.548 ( 1.598 -4.431 -3.312) 5.758 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 5.506 1.607 7.590) 9.513 1.159 ( 6.847 -0.575 8.705) 11.090 1.222 ( 4.781 6.278 9.580) 12.412 1.310 ( 1.868 4.520 4.173) 6.429 1.350 ( 4.904 -5.882 2.196) 7.967 1.418 ( 2.974 -2.122 4.906) 6.116 1.471 ( -0.611 -2.572 3.916) 4.725 1.523 ( -6.277 -2.128 -2.382) 7.043 1.619 ( -3.114 1.715 -4.420) 5.672 1.643 ( -0.942 -1.098 -6.701) 6.856 1.691 ( -1.190 -2.821 -4.202) 5.199 1.704 ( -3.547 -2.230 -2.197) 4.730 1.744 ( -1.001 2.110 -2.819) 3.660 1.781 ( 1.074 -1.830 -1.171) 2.424 1.859 ( 1.547 6.727 -5.775) 9.000 1.922 ( -4.554 0.838 -2.363) 5.198 1.933 ( -4.277 -0.591 -3.721) 5.700 1.962 ( 0.161 -1.616 -4.585) 4.864 2.003 ( 2.229 1.535 -7.297) 7.783 2.030 ( -1.377 -1.874 0.798) 2.459 2.066 ( -2.153 4.131 -2.841) 5.457 2.112 ( -0.391 -0.769 -2.455) 2.602 2.138 ( -1.625 -2.779 1.367) 3.497 2.166 ( -3.034 -1.050 -1.734) 3.649 2.198 ( -3.118 -0.108 -2.611) 4.068 2.215 ( -1.713 -3.204 -1.625) 3.980 2.268 ( -1.272 3.645 -0.493) 3.892 2.287 ( -2.588 2.379 -5.513) 6.539 2.306 ( -1.932 -0.907 0.695) 2.244 2.328 ( -2.287 -1.734 -4.661) 5.473 2.390 ( -0.094 1.874 0.629) 1.979 2.422 ( 0.068 -0.614 -0.062) 0.620 2.486 ( 4.204 6.018 9.028) 11.635 2.523 ( -2.052 3.952 -0.250) 4.460 2.584 ( 0.544 -2.240 1.476) 2.737 2.624 ( 2.325 1.214 0.731) 2.723 2.630 ( 3.918 -6.654 3.553) 8.500 2.674 ( 1.007 -3.824 -0.827) 4.040 2.718 ( 2.888 0.745 4.518) 5.414 2.730 ( 2.596 -0.301 4.234) 4.975 2.754 ( 2.034 -0.136 0.759) 2.175 2.767 ( 2.183 -1.419 2.087) 3.336 2.873 ( 1.962 1.533 -3.200) 4.055 2.916 ( -0.431 -2.954 -4.784) 5.638 3.009 ( 2.534 1.129 0.010) 2.775 3.019 ( 0.630 -0.440 -0.826) 1.128 3.103 ( -0.379 4.202 -0.014) 4.219 3.142 ( -0.730 3.186 -0.653) 3.333 3.176 ( -7.389 -0.712 -2.303) 7.772 3.200 ( -10.832 -0.253 -1.737) 10.974 3.303 ( -3.928 -0.714 -0.697) 4.052 3.350 ( 2.048 -5.227 2.516) 6.152 3.501 ( -2.409 2.199 3.851) 5.047 3.516 ( 0.177 0.832 4.540) 4.619 3.842 ( 5.110 2.962 -1.190) 6.025 3.900 ( 5.439 -3.101 -1.033) 6.346 4.615 ( -1.515 -0.014 -0.843) 1.734 4.618 ( -1.194 -0.346 -1.044) 1.624 4.672 ( -0.112 0.934 0.790) 1.228 4.686 ( 0.740 -0.587 0.777) 1.223 4.816 ( -1.616 0.324 -1.146) 2.008 4.821 ( -1.961 -0.256 -1.311) 2.372 4.923 ( 1.766 1.052 1.108) 2.335 4.942 ( 2.306 -0.983 1.090) 2.733 4.996 ( 0.196 1.108 -0.290) 1.162 5.031 ( 0.577 -2.099 -0.320) 2.200 5.054 ( -0.313 1.056 -0.722) 1.318 5.080 ( -0.583 -1.463 -0.758) 1.748 5.170 ( -0.527 3.032 -1.951) 3.644 5.212 ( -0.797 -1.717 -3.097) 3.630 5.274 ( -0.938 0.623 -2.637) 2.868 5.289 ( -1.079 -0.828 -2.340) 2.707 5.349 ( -5.372 0.506 -0.173) 5.398 5.370 ( -5.046 -1.665 -1.303) 5.471 5.391 ( -2.074 2.269 -1.666) 3.496 5.432 ( -1.547 -1.527 -2.493) 3.308 5.558 ( 0.367 2.247 -0.070) 2.278 5.607 ( 0.594 -1.716 -1.293) 2.229 5.735 ( 1.247 2.053 -0.579) 2.471 5.778 ( 1.978 -2.202 -0.425) 2.990 5.921 ( 3.163 0.867 6.208) 7.021 5.936 ( 3.629 -0.510 5.758) 6.826 5.977 ( 3.038 1.137 4.039) 5.181 6.000 ( 3.730 -1.193 1.927) 4.365 7.464 ( 2.112 0.219 1.653) 2.691 7.467 ( 2.290 -0.163 1.658) 2.832 7.756 ( 3.480 0.313 -2.714) 4.424 7.762 ( 3.595 -0.364 -2.360) 4.316 7.969 ( -1.713 0.796 -0.637) 1.993 7.984 ( -1.909 -0.773 -0.850) 2.228 8.187 ( -3.117 0.504 0.018) 3.157 8.196 ( -2.534 -0.458 0.255) 2.587 8.568 ( 0.393 0.551 -0.077) 0.681 8.580 ( 1.026 -0.616 0.288) 1.231 8.713 ( -1.263 0.500 2.924) 3.224 8.722 ( -1.482 -0.423 2.361) 2.820 8.887 ( 1.278 0.353 -2.147) 2.524 8.892 ( -0.046 -0.141 -1.572) 1.579 8.976 ( -0.193 -0.042 -1.722) 1.733 8.983 ( 0.303 -0.490 -1.999) 2.080 9.078 ( -2.197 1.063 0.031) 2.440 9.095 ( -2.867 -0.769 -1.773) 3.458 9.193 ( -2.971 1.202 -1.419) 3.505 9.211 ( -2.809 -0.699 0.278) 2.908 9.284 ( 1.192 0.688 -3.518) 3.778 9.308 ( 0.133 -2.024 -1.054) 2.286 9.447 ( -0.766 3.706 -4.106) 5.584 9.509 ( -1.656 -2.955 -5.398) 6.372 ======================= Grid point 52 (33/50) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -7.862 2.234 -2.508) 8.549 1.278 ( 4.048 -0.015 -2.814) 4.930 1.345 ( 6.543 -0.171 -0.607) 6.573 1.374 ( -1.442 -2.486 -1.757) 3.368 1.403 ( 2.701 -2.069 -0.595) 3.453 1.435 ( 3.139 -3.366 1.805) 4.944 1.509 ( 7.354 0.413 2.069) 7.651 1.520 ( 8.878 -0.757 0.802) 8.946 1.586 ( -2.607 4.050 -5.852) 7.579 1.608 ( -0.693 3.695 -2.558) 4.547 1.653 ( 3.111 -0.471 -1.891) 3.671 1.685 ( 2.384 -3.651 -3.868) 5.829 1.751 ( 4.213 5.857 0.547) 7.236 1.793 ( -3.202 0.815 -7.577) 8.266 1.823 ( -0.079 -0.649 -1.035) 1.224 1.859 ( 3.387 -4.115 -4.372) 6.894 1.890 ( 4.937 0.370 -0.138) 4.952 1.930 ( 1.156 1.957 -3.134) 3.872 1.956 ( -0.893 1.108 -9.247) 9.356 2.017 ( -2.751 2.288 -2.261) 4.233 2.030 ( 0.623 0.338 0.011) 0.709 2.053 ( -2.737 -2.742 -2.908) 4.844 2.082 ( -0.664 -1.664 -2.588) 3.148 2.118 ( -3.465 0.135 -1.412) 3.744 2.124 ( 0.956 -1.167 -3.458) 3.772 2.174 ( -0.743 -3.776 -2.487) 4.582 2.213 ( -0.931 2.421 -4.131) 4.878 2.250 ( -1.415 -0.675 -4.517) 4.782 2.276 ( 0.543 2.430 1.087) 2.716 2.300 ( -0.028 -0.073 2.334) 2.335 2.369 ( -1.175 1.373 -1.213) 2.177 2.423 ( 0.028 -3.775 -1.024) 3.912 2.471 ( -2.889 3.888 0.744) 4.901 2.508 ( -3.108 0.639 0.815) 3.276 2.582 ( -3.919 -0.168 -0.143) 3.925 2.617 ( -3.065 -4.591 0.674) 5.561 2.714 ( 1.988 1.029 2.322) 3.225 2.725 ( 0.294 0.935 0.553) 1.125 2.740 ( -2.695 0.931 0.562) 2.906 2.773 ( 0.565 -1.358 -0.961) 1.757 2.808 ( -0.073 0.859 -1.399) 1.643 2.826 ( -0.159 -0.600 1.527) 1.648 2.857 ( -15.385 3.389 1.344) 15.811 2.907 ( 5.171 1.653 4.465) 7.029 2.936 ( -9.360 -4.857 0.490) 10.557 2.959 ( 0.149 -3.970 2.862) 4.896 3.034 ( 1.339 0.519 -1.554) 2.116 3.041 ( 1.737 0.039 -1.419) 2.243 3.131 ( 1.426 1.660 -0.805) 2.331 3.157 ( 0.471 -1.070 -1.209) 1.682 3.292 ( 0.275 5.279 1.547) 5.508 3.368 ( -3.480 1.227 1.144) 3.863 3.482 ( -0.960 0.009 5.476) 5.560 3.550 ( -1.687 -3.337 5.002) 6.245 3.913 ( 2.930 2.385 -0.646) 3.833 3.960 ( 1.957 -2.470 -1.419) 3.456 4.588 ( -0.551 0.280 -1.072) 1.237 4.595 ( -0.288 -0.325 -1.403) 1.469 4.697 ( 0.997 1.151 1.905) 2.439 4.725 ( 1.604 -1.816 1.824) 3.033 4.770 ( -1.447 0.285 -1.319) 1.979 4.777 ( -1.212 -0.260 -1.258) 1.766 4.952 ( 0.615 1.189 1.375) 1.919 4.962 ( -1.004 -0.238 1.001) 1.437 5.003 ( 0.647 0.375 -1.530) 1.703 5.023 ( -0.369 -1.522 -0.517) 1.649 5.054 ( 0.476 1.140 0.003) 1.235 5.070 ( 0.368 -0.507 -0.971) 1.156 5.170 ( 1.985 1.169 -4.341) 4.915 5.190 ( 1.239 -0.849 -3.599) 3.900 5.217 ( -3.750 0.659 -3.254) 5.009 5.230 ( -0.855 -0.719 -4.815) 4.943 5.252 ( -3.751 0.161 0.163) 3.758 5.266 ( -2.745 -1.369 -1.871) 3.593 5.368 ( -0.507 2.143 -0.675) 2.303 5.396 ( -1.183 -0.416 -1.276) 1.789 5.583 ( 1.201 1.318 1.651) 2.430 5.622 ( 1.092 -1.701 0.737) 2.151 5.770 ( 1.936 2.666 1.143) 3.488 5.824 ( 2.567 -2.765 0.465) 3.801 5.991 ( -0.067 1.797 4.717) 5.048 6.029 ( 0.597 -2.354 6.403) 6.848 6.081 ( 4.429 0.702 5.562) 7.144 6.089 ( 3.478 -0.079 4.340) 5.562 7.522 ( 3.052 0.483 1.502) 3.435 7.531 ( 3.310 -0.448 1.554) 3.685 7.778 ( 0.741 0.509 -3.011) 3.143 7.788 ( 0.527 -0.534 -2.707) 2.809 7.952 ( 0.314 0.374 -1.328) 1.414 7.958 ( 1.541 -0.248 -0.303) 1.590 8.126 ( -3.029 0.885 -0.369) 3.177 8.144 ( -3.077 -0.939 -0.358) 3.237 8.585 ( 0.907 1.190 1.190) 1.912 8.611 ( 1.266 -1.498 1.905) 2.735 8.722 ( -0.365 0.206 3.691) 3.715 8.727 ( 0.046 -0.335 2.845) 2.865 8.850 ( -2.127 0.792 -2.278) 3.216 8.867 ( -1.255 -0.875 -3.269) 3.609 8.945 ( -2.500 0.512 -3.087) 4.005 8.953 ( -1.916 -0.353 -3.221) 3.764 9.001 ( -2.574 2.451 -4.174) 5.482 9.047 ( -0.559 -2.531 -2.458) 3.572 9.122 ( -2.988 1.862 -1.813) 3.961 9.157 ( -2.797 -2.064 -1.616) 3.833 9.263 ( 0.594 1.662 -5.620) 5.890 9.294 ( 0.220 -1.866 -3.027) 3.562 9.383 ( -2.012 2.550 -5.116) 6.060 9.423 ( -2.611 -1.810 -5.961) 6.755 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -12.819 6.720 1.598) 14.562 1.171 ( -9.335 -3.994 0.673) 10.176 1.280 ( -10.481 6.549 -3.062) 12.733 1.394 ( 3.122 2.814 -5.508) 6.929 1.466 ( 4.973 -4.437 -6.845) 9.554 1.506 ( -4.138 -3.268 -0.171) 5.275 1.566 ( 2.747 0.965 0.071) 2.913 1.591 ( 5.378 -0.543 2.399) 5.914 1.651 ( 5.471 1.580 -3.165) 6.515 1.684 ( 3.615 0.334 -2.237) 4.265 1.692 ( 4.823 -1.319 -0.738) 5.054 1.751 ( 5.817 -0.863 -1.064) 5.976 1.774 ( 5.926 -1.673 -3.399) 7.033 1.819 ( 7.030 0.741 -3.878) 8.063 1.844 ( 4.313 -1.741 -2.553) 5.306 1.855 ( 2.267 -7.683 -7.484) 10.963 1.919 ( -0.393 4.697 -3.955) 6.154 1.934 ( 5.738 4.185 -8.150) 10.811 2.005 ( 6.540 2.829 -2.100) 7.429 2.009 ( 2.675 1.732 -2.957) 4.348 2.025 ( 1.941 -4.202 -3.689) 5.919 2.047 ( 2.471 0.549 -0.727) 2.633 2.075 ( 1.326 -1.313 -1.758) 2.564 2.091 ( 2.122 -0.852 1.523) 2.747 2.131 ( 1.659 2.498 -2.715) 4.045 2.163 ( 1.924 -2.851 -1.279) 3.669 2.197 ( 1.711 -1.538 -0.745) 2.418 2.211 ( 0.245 -1.329 -3.013) 3.302 2.263 ( -7.434 3.407 2.402) 8.523 2.304 ( -5.161 1.677 1.856) 5.735 2.329 ( -0.063 0.336 1.263) 1.309 2.367 ( -8.192 -4.749 0.173) 9.471 2.412 ( -4.873 3.511 0.586) 6.034 2.458 ( -2.268 -0.603 0.727) 2.457 2.479 ( -2.832 1.110 1.201) 3.270 2.535 ( -7.587 -5.681 1.216) 9.556 2.576 ( -5.001 1.232 3.004) 5.962 2.630 ( -8.346 -4.725 2.219) 9.844 2.705 ( -3.748 2.745 0.201) 4.650 2.732 ( -2.099 1.615 0.530) 2.701 2.741 ( -1.685 3.565 -0.415) 3.965 2.791 ( -0.480 -0.985 1.650) 1.980 2.820 ( -0.752 -1.405 0.472) 1.662 2.847 ( -0.374 -3.399 -0.247) 3.428 3.005 ( -2.269 5.134 -1.307) 5.764 3.045 ( 4.086 -1.012 -2.022) 4.670 3.060 ( 3.315 -1.084 0.054) 3.488 3.079 ( 2.822 -1.624 -0.711) 3.332 3.158 ( 3.532 1.971 -0.150) 4.048 3.179 ( 1.855 -0.255 0.007) 1.872 3.259 ( -4.957 10.123 2.679) 11.586 3.347 ( 0.950 2.611 2.212) 3.551 3.512 ( -2.569 -5.412 5.833) 8.362 3.531 ( -2.758 -5.560 4.371) 7.591 3.926 ( -0.872 1.609 -0.852) 2.018 3.950 ( -1.621 -0.945 -1.433) 2.361 4.581 ( 0.786 0.468 -1.131) 1.455 4.588 ( 0.806 -0.164 -1.414) 1.636 4.705 ( -0.513 0.303 -0.263) 0.651 4.719 ( -0.563 -1.154 -1.405) 1.904 4.774 ( 0.478 0.866 1.388) 1.704 4.797 ( 1.508 -1.623 2.538) 3.369 4.935 ( -1.632 1.884 -0.440) 2.531 4.964 ( -0.231 -0.094 0.903) 0.936 4.997 ( 0.426 0.764 -1.636) 1.855 5.022 ( -0.197 -1.107 -0.008) 1.125 5.064 ( 0.330 0.234 -0.204) 0.453 5.070 ( -0.011 -0.519 -1.015) 1.140 5.127 ( -1.148 1.912 -4.226) 4.778 5.163 ( 0.404 -1.285 -4.706) 4.895 5.166 ( 0.835 0.106 -4.058) 4.145 5.183 ( -0.839 -1.323 -1.135) 1.935 5.250 ( 2.378 1.322 -0.850) 2.850 5.275 ( 3.608 -1.412 -0.098) 3.876 5.356 ( -0.562 1.567 -0.030) 1.665 5.368 ( -0.943 0.405 -0.399) 1.101 5.613 ( 0.442 1.584 1.417) 2.171 5.650 ( 1.091 -1.975 1.113) 2.516 5.811 ( 1.623 2.692 0.685) 3.217 5.868 ( 1.983 -3.221 -0.207) 3.788 6.006 ( -1.237 2.844 3.181) 4.443 6.065 ( -0.356 -3.858 3.684) 5.346 6.181 ( 2.722 2.055 4.311) 5.497 6.204 ( 4.021 -0.696 5.414) 6.780 7.603 ( 4.268 0.295 2.547) 4.979 7.609 ( 3.443 -0.288 2.211) 4.102 7.744 ( -1.418 0.096 -4.124) 4.362 7.747 ( -0.422 -0.157 -3.794) 3.821 7.983 ( 2.554 1.613 1.012) 3.186 8.011 ( 2.561 -1.061 1.599) 3.200 8.076 ( -2.839 -0.222 -2.192) 3.594 8.081 ( -1.597 -0.670 -2.067) 2.697 8.618 ( 1.146 0.883 2.599) 2.974 8.643 ( 0.074 -1.919 2.738) 3.344 8.753 ( 0.215 0.442 3.791) 3.823 8.762 ( 0.375 -0.519 3.054) 3.120 8.789 ( -2.454 0.992 -2.942) 3.958 8.808 ( -1.929 -0.704 -3.036) 3.665 8.872 ( -2.179 1.288 -1.177) 2.791 8.878 ( -1.787 0.482 -2.291) 2.945 8.945 ( -1.271 2.459 -3.448) 4.422 9.000 ( -2.577 -2.549 -2.421) 4.359 9.067 ( -1.579 0.490 -3.485) 3.857 9.092 ( -0.826 -2.871 -5.790) 6.515 9.234 ( 0.824 3.156 -4.413) 5.488 9.273 ( 0.577 -1.489 -4.161) 4.457 9.315 ( -1.682 1.102 -2.774) 3.426 9.336 ( -2.420 -1.079 -4.257) 5.014 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -7.971 15.011 9.134) 19.294 0.948 ( -11.743 17.578 3.532) 21.432 1.185 ( -4.552 -17.198 7.580) 19.338 1.265 ( -11.226 -14.812 3.062) 18.836 1.463 ( 3.316 10.120 -0.016) 10.649 1.511 ( 3.568 3.373 -4.525) 6.677 1.634 ( 1.796 1.512 -0.770) 2.471 1.678 ( 2.957 2.239 1.109) 3.871 1.697 ( -0.031 2.847 0.845) 2.970 1.731 ( 1.268 1.589 -3.920) 4.416 1.749 ( 2.558 -0.125 0.862) 2.703 1.784 ( -0.296 -2.587 -3.776) 4.587 1.792 ( -9.538 -0.201 1.881) 9.724 1.813 ( 0.861 -7.230 0.877) 7.334 1.877 ( 0.954 -6.609 0.429) 6.691 1.895 ( -0.838 2.275 1.069) 2.650 1.931 ( -2.217 -0.226 -0.011) 2.229 1.998 ( -0.748 2.289 -1.040) 2.623 2.026 ( 4.317 -3.989 -2.636) 6.442 2.050 ( 2.098 -2.523 -2.549) 4.155 2.072 ( 3.565 2.305 -4.500) 6.187 2.078 ( 6.393 1.235 -4.444) 7.884 2.095 ( 2.499 1.713 0.209) 3.037 2.114 ( 1.444 -2.287 -2.274) 3.533 2.132 ( 7.848 -1.738 -4.699) 9.311 2.174 ( 4.665 -0.025 -5.902) 7.523 2.189 ( -2.032 -4.550 1.816) 5.304 2.206 ( 1.581 -1.982 -2.999) 3.927 2.256 ( 2.529 -0.559 -0.765) 2.701 2.269 ( -0.026 -1.872 1.103) 2.173 2.311 ( 2.665 0.403 -1.713) 3.194 2.329 ( 3.806 -0.647 -0.493) 3.892 2.358 ( -0.758 2.766 2.631) 3.892 2.403 ( -2.943 -1.570 0.396) 3.359 2.486 ( 0.542 1.565 1.647) 2.336 2.501 ( 0.922 -0.104 2.423) 2.595 2.559 ( -1.262 2.315 2.124) 3.386 2.600 ( -0.320 -2.697 4.415) 5.184 2.637 ( -3.944 4.093 0.526) 5.708 2.689 ( -2.085 -0.113 -0.127) 2.092 2.736 ( -1.014 3.114 2.427) 4.076 2.776 ( -3.080 -1.329 0.752) 3.438 2.810 ( 1.154 -0.268 1.457) 1.878 2.844 ( -0.790 0.301 2.557) 2.693 2.930 ( -3.187 8.570 0.914) 9.189 3.066 ( -1.393 -1.603 0.579) 2.201 3.103 ( 3.148 -2.390 -1.388) 4.189 3.118 ( 3.221 -1.460 -1.241) 3.748 3.187 ( -0.450 4.142 -1.853) 4.559 3.206 ( 0.518 2.478 -1.706) 3.053 3.233 ( 1.249 2.187 0.064) 2.519 3.366 ( -2.958 -6.601 2.362) 7.609 3.486 ( -1.164 0.844 3.977) 4.229 3.541 ( -0.968 -3.526 3.594) 5.127 3.874 ( -3.663 1.061 -1.099) 3.969 3.892 ( -3.348 -0.881 -1.406) 3.737 4.598 ( 1.951 0.630 -1.184) 2.367 4.605 ( 2.153 -0.124 -1.003) 2.378 4.698 ( -0.399 0.014 0.569) 0.695 4.708 ( -0.249 -1.003 -0.012) 1.034 4.787 ( 0.195 1.513 0.634) 1.652 4.825 ( 0.434 -2.462 0.161) 2.505 4.910 ( -0.639 3.498 0.152) 3.559 4.964 ( -0.445 0.163 0.499) 0.688 4.989 ( -0.029 -0.398 -1.795) 1.838 5.010 ( -0.745 -1.438 -0.985) 1.896 5.033 ( -1.433 0.643 -1.639) 2.270 5.049 ( -1.368 -1.061 -1.023) 2.011 5.121 ( 1.670 1.727 -0.503) 2.455 5.159 ( 2.283 -1.785 -2.447) 3.793 5.190 ( 2.230 0.001 0.181) 2.238 5.193 ( 3.159 -0.293 -0.515) 3.214 5.287 ( 1.729 2.429 -1.093) 3.176 5.316 ( -0.156 -0.901 -0.296) 0.961 5.376 ( 3.508 1.579 0.052) 3.848 5.398 ( 6.013 -0.725 -0.361) 6.068 5.619 ( -0.455 1.969 0.623) 2.115 5.668 ( -0.027 -3.448 0.257) 3.457 5.830 ( 0.250 3.127 -0.759) 3.227 5.884 ( 0.235 -2.998 -1.628) 3.420 5.999 ( -1.060 3.811 0.227) 3.962 6.075 ( -0.376 -4.787 -0.181) 4.805 6.234 ( 0.756 3.533 -0.507) 3.648 6.280 ( 0.726 -1.651 0.114) 1.807 7.653 ( -0.245 1.139 -1.438) 1.851 7.666 ( 0.933 -0.432 -3.269) 3.426 7.700 ( -1.510 2.158 -1.496) 3.029 7.758 ( 2.749 -3.671 0.692) 4.638 7.994 ( -2.037 -0.229 -3.423) 3.990 7.997 ( -2.961 -0.828 -4.046) 5.082 8.055 ( 3.289 0.992 2.631) 4.328 8.078 ( 1.687 -1.666 1.126) 2.624 8.656 ( -1.484 2.469 -0.797) 2.989 8.680 ( 2.060 -0.349 3.612) 4.173 8.700 ( -2.444 0.928 -0.024) 2.615 8.729 ( -1.043 -2.178 0.835) 2.555 8.780 ( -0.226 1.062 0.926) 1.427 8.795 ( -0.072 -0.247 1.522) 1.544 8.877 ( 0.902 0.894 1.302) 1.819 8.891 ( 1.446 0.119 4.210) 4.453 8.929 ( 1.333 1.585 0.303) 2.093 8.953 ( -0.442 -0.206 1.243) 1.335 9.002 ( -1.752 0.840 -4.424) 4.832 9.044 ( 1.307 -3.387 -5.267) 6.397 9.235 ( 1.385 2.111 -0.670) 2.612 9.266 ( 1.459 -0.800 -1.936) 2.552 9.280 ( -1.179 -0.339 -0.271) 1.257 9.286 ( -0.410 -0.559 -0.867) 1.110 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -8.058 9.569 12.208) 17.479 1.000 ( -11.471 -18.207 2.275) 21.639 1.030 ( 1.078 16.894 19.887) 26.116 1.284 ( -5.527 -12.039 14.140) 19.376 1.456 ( -16.713 7.492 13.939) 23.016 1.494 ( -1.483 6.292 4.998) 8.171 1.577 ( -10.119 10.776 4.442) 15.435 1.596 ( -0.313 2.904 6.689) 7.299 1.705 ( 0.058 -2.150 -0.413) 2.190 1.724 ( -3.241 -1.715 3.094) 4.798 1.744 ( 1.659 0.447 -0.708) 1.859 1.768 ( 3.268 -0.962 -0.258) 3.416 1.802 ( -0.067 1.078 -0.129) 1.088 1.817 ( 3.812 -4.787 0.955) 6.194 1.880 ( -1.923 -9.575 5.491) 11.204 1.910 ( 4.150 -2.047 0.802) 4.697 1.963 ( 2.960 -5.579 -0.101) 6.317 2.006 ( 0.947 -3.456 -4.607) 5.836 2.038 ( 0.434 -0.464 -2.065) 2.161 2.053 ( -0.178 -0.206 -3.237) 3.248 2.080 ( 3.400 1.291 -2.562) 4.448 2.123 ( 3.228 0.855 -4.361) 5.492 2.138 ( 1.914 -0.553 -4.070) 4.532 2.153 ( 1.698 -0.358 -2.450) 3.002 2.179 ( 3.397 -0.035 -6.176) 7.048 2.214 ( 4.569 -3.538 -3.676) 6.849 2.235 ( 4.570 3.049 -0.952) 5.575 2.263 ( 0.747 0.528 -0.084) 0.919 2.278 ( 3.667 -1.264 -2.917) 4.853 2.324 ( 3.906 -0.978 -0.163) 4.029 2.349 ( -0.473 -1.745 0.775) 1.967 2.379 ( 2.183 -1.695 -1.003) 2.940 2.413 ( 3.656 0.475 0.700) 3.752 2.420 ( 4.269 -0.722 0.411) 4.349 2.488 ( -0.876 2.828 1.014) 3.129 2.508 ( -0.820 -0.375 -0.454) 1.010 2.559 ( 0.541 2.664 1.284) 3.007 2.587 ( -1.995 4.284 2.345) 5.275 2.638 ( 0.892 0.561 2.529) 2.740 2.656 ( -0.628 3.366 0.753) 3.506 2.725 ( -2.420 1.662 1.299) 3.210 2.740 ( -1.193 -0.298 1.063) 1.625 2.835 ( -2.336 3.130 4.258) 5.778 2.881 ( 1.881 -0.026 4.608) 4.977 2.968 ( 4.209 1.903 2.989) 5.501 3.054 ( -0.812 -3.884 1.130) 4.125 3.114 ( 0.126 1.578 -4.729) 4.986 3.142 ( 1.747 -1.227 -6.132) 6.493 3.177 ( -0.079 -2.131 3.016) 3.694 3.226 ( 4.089 1.718 0.421) 4.455 3.249 ( 0.500 -1.639 -1.204) 2.094 3.311 ( -1.467 -4.263 0.471) 4.533 3.495 ( -0.789 5.758 1.711) 6.058 3.566 ( 1.286 -2.478 2.528) 3.767 3.797 ( -3.407 0.526 -0.990) 3.587 3.814 ( -3.581 -1.196 -2.267) 4.404 4.635 ( 2.789 0.623 -0.573) 2.915 4.649 ( 3.092 -0.673 -0.469) 3.199 4.691 ( -0.766 0.061 0.454) 0.892 4.700 ( -0.885 -0.766 0.134) 1.178 4.801 ( 0.788 1.110 0.669) 1.516 4.829 ( 0.278 -1.741 -0.485) 1.828 4.915 ( 0.794 4.160 -0.641) 4.284 4.952 ( -2.309 1.282 -2.247) 3.467 4.961 ( 0.432 0.592 0.285) 0.787 4.990 ( 0.078 -0.187 -0.089) 0.221 5.009 ( -1.129 -0.602 -1.133) 1.709 5.036 ( 1.373 -1.531 -0.396) 2.094 5.165 ( 3.011 -0.464 0.415) 3.074 5.185 ( 1.375 -2.181 0.567) 2.640 5.243 ( 1.688 0.465 1.542) 2.333 5.253 ( 1.633 -0.412 2.372) 2.909 5.311 ( 3.401 2.594 -1.012) 4.396 5.339 ( 4.522 -0.665 -1.139) 4.711 5.459 ( 3.474 4.010 0.606) 5.340 5.527 ( 7.021 -2.903 -0.214) 7.600 5.620 ( 1.253 0.762 -0.206) 1.481 5.648 ( -1.639 -2.999 -0.945) 3.546 5.802 ( -2.189 2.790 -2.220) 4.184 5.841 ( -3.115 -1.982 -3.392) 5.014 5.956 ( -2.545 4.326 -3.822) 6.308 6.032 ( -2.750 -4.241 -4.229) 6.590 6.164 ( -5.637 1.836 -8.026) 9.979 6.181 ( -8.336 -0.062 -7.256) 11.052 7.553 ( -8.755 1.480 -0.413) 8.889 7.582 ( -9.544 -1.418 -4.338) 10.579 7.664 ( 1.003 0.982 -3.503) 3.773 7.692 ( -1.609 -2.221 -3.558) 4.492 7.981 ( 0.925 0.988 0.533) 1.454 8.001 ( 2.607 -1.169 1.086) 3.057 8.143 ( 3.861 0.521 2.815) 4.807 8.153 ( 4.352 -0.510 2.646) 5.119 8.592 ( -0.976 1.442 -2.462) 3.015 8.611 ( -2.292 -0.499 -2.533) 3.452 8.750 ( -1.200 0.426 0.975) 1.604 8.760 ( -1.194 -0.266 1.281) 1.771 8.838 ( 1.569 -0.515 2.559) 3.046 8.852 ( 3.171 -1.811 2.539) 4.448 8.887 ( 0.830 1.317 3.157) 3.520 8.906 ( 1.484 -0.651 3.545) 3.898 8.977 ( 2.358 1.263 0.978) 2.849 8.993 ( 2.442 -0.694 1.641) 3.023 9.046 ( 6.993 3.970 5.293) 9.627 9.106 ( 5.581 -2.300 1.080) 6.132 9.262 ( 0.789 0.874 1.258) 1.723 9.275 ( -0.041 -0.550 1.218) 1.337 9.290 ( 2.102 1.459 2.413) 3.517 9.333 ( 5.028 -3.036 3.119) 6.650 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -5.999 0.000 7.642) 9.715 1.294 ( -1.673 0.000 4.934) 5.210 1.326 ( 5.508 0.000 14.363) 15.383 1.365 ( -2.248 0.000 9.236) 9.506 1.491 ( -8.968 0.000 3.998) 9.819 1.562 ( -8.658 0.000 6.409) 10.772 1.580 ( -2.425 0.000 0.905) 2.588 1.666 ( 0.558 0.000 -3.843) 3.883 1.682 ( 3.871 0.000 3.711) 5.363 1.688 ( -0.337 0.000 -1.185) 1.232 1.756 ( -6.440 0.000 1.199) 6.551 1.781 ( 2.320 0.000 -7.929) 8.261 1.846 ( -5.216 0.000 1.602) 5.456 1.847 ( 5.470 0.000 -1.338) 5.631 1.900 ( 2.622 0.000 -2.829) 3.857 1.902 ( 0.635 0.000 -3.762) 3.815 1.918 ( 3.282 0.000 -1.052) 3.446 1.946 ( -4.156 0.000 -0.836) 4.239 2.009 ( 0.470 0.000 1.241) 1.327 2.047 ( -2.966 0.000 5.533) 6.278 2.082 ( 3.193 0.000 -6.076) 6.864 2.117 ( 4.641 0.000 -2.348) 5.201 2.148 ( -1.146 0.000 1.068) 1.567 2.154 ( 2.753 0.000 0.259) 2.766 2.204 ( -2.808 0.000 2.027) 3.463 2.258 ( 3.111 0.000 -2.708) 4.124 2.261 ( 2.523 0.000 5.519) 6.068 2.323 ( 1.003 0.000 0.486) 1.115 2.342 ( 1.206 0.000 -1.817) 2.180 2.384 ( -7.020 0.000 1.729) 7.230 2.408 ( 1.010 0.000 -1.546) 1.846 2.421 ( 3.276 0.000 -1.566) 3.631 2.434 ( 4.650 0.000 -0.239) 4.656 2.497 ( -0.697 0.000 -2.567) 2.660 2.556 ( 1.695 0.000 2.890) 3.350 2.562 ( -1.296 0.000 -0.374) 1.349 2.571 ( 3.187 0.000 5.245) 6.137 2.662 ( -0.951 0.000 -1.099) 1.453 2.666 ( 4.278 0.000 1.990) 4.718 2.687 ( -1.990 0.000 -1.100) 2.274 2.690 ( -2.915 0.000 -0.543) 2.965 2.700 ( 3.458 0.000 2.888) 4.505 2.797 ( -0.990 0.000 -0.169) 1.004 2.838 ( 0.015 0.000 -2.494) 2.494 2.928 ( -1.397 0.000 -3.344) 3.624 2.974 ( 0.731 0.000 -5.086) 5.139 3.073 ( -0.472 0.000 7.182) 7.197 3.170 ( -1.669 0.000 -1.681) 2.369 3.255 ( -0.548 0.000 0.589) 0.804 3.267 ( 0.847 0.000 -0.640) 1.062 3.298 ( 1.480 0.000 -0.113) 1.484 3.324 ( 2.728 0.000 -3.228) 4.226 3.512 ( 5.755 0.000 4.641) 7.393 3.603 ( -6.431 0.000 -4.279) 7.725 3.714 ( 3.356 0.000 1.100) 3.532 3.738 ( -2.193 0.000 -0.988) 2.405 4.671 ( 0.206 0.000 -0.057) 0.214 4.673 ( 1.711 0.000 0.009) 1.711 4.678 ( -0.972 0.000 -0.528) 1.106 4.686 ( -0.787 0.000 -1.115) 1.365 4.836 ( 0.626 0.000 1.070) 1.240 4.839 ( 0.838 0.000 0.561) 1.009 4.857 ( -1.266 0.000 -0.869) 1.536 4.868 ( -0.670 0.000 -1.304) 1.466 4.971 ( 0.691 0.000 0.471) 0.836 4.991 ( 1.044 0.000 -1.224) 1.609 5.044 ( 0.066 0.000 2.443) 2.444 5.067 ( 0.519 0.000 0.328) 0.614 5.247 ( -0.288 0.000 0.366) 0.466 5.249 ( 2.150 0.000 -0.782) 2.288 5.325 ( -0.688 0.000 2.435) 2.530 5.348 ( 0.383 0.000 1.364) 1.417 5.359 ( 4.370 0.000 0.007) 4.370 5.394 ( 0.803 0.000 -1.894) 2.057 5.455 ( -3.633 0.000 3.030) 4.730 5.528 ( 0.927 0.000 -3.626) 3.743 5.648 ( -4.027 0.000 -2.179) 4.579 5.649 ( 3.203 0.000 -1.561) 3.563 5.692 ( 5.924 0.000 -0.211) 5.928 5.692 ( -4.981 0.000 -0.752) 5.037 5.835 ( -1.275 0.000 1.503) 1.971 5.876 ( 1.078 0.000 0.485) 1.182 5.879 ( -3.315 0.000 -2.937) 4.429 5.921 ( -4.034 0.000 -3.045) 5.054 7.490 ( -2.548 0.000 2.866) 3.835 7.495 ( -2.773 0.000 2.480) 3.721 7.606 ( 2.820 0.000 -2.651) 3.871 7.614 ( 1.678 0.000 -3.237) 3.646 8.032 ( 1.065 0.000 1.586) 1.911 8.049 ( -1.429 0.000 -0.020) 1.429 8.228 ( 1.074 0.000 0.548) 1.205 8.235 ( 0.297 0.000 -0.008) 0.297 8.564 ( 0.221 0.000 -0.064) 0.230 8.568 ( -0.029 0.000 -0.411) 0.412 8.758 ( -2.212 0.000 1.249) 2.541 8.760 ( 1.100 0.000 0.974) 1.470 8.818 ( 0.944 0.000 -0.806) 1.241 8.828 ( 0.316 0.000 -1.739) 1.768 9.009 ( -0.016 0.000 1.540) 1.540 9.022 ( 0.279 0.000 0.206) 0.347 9.100 ( 0.262 0.000 4.342) 4.349 9.156 ( 2.870 0.000 -1.704) 3.338 9.167 ( -0.977 0.000 2.122) 2.336 9.198 ( 3.309 0.000 -1.122) 3.494 9.310 ( -1.123 0.000 2.148) 2.424 9.345 ( 2.372 0.000 -0.914) 2.542 9.402 ( -0.737 0.000 5.285) 5.336 9.491 ( 3.436 0.000 -3.430) 4.855 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.074 0.000 10.988) 10.988 1.319 ( -4.620 0.000 9.283) 10.369 1.348 ( -2.331 0.000 -0.797) 2.464 1.406 ( -2.245 0.000 9.722) 9.978 1.451 ( -0.040 0.000 0.848) 0.849 1.469 ( -8.607 0.000 9.505) 12.823 1.540 ( -2.886 0.000 3.018) 4.175 1.615 ( -3.598 0.000 -0.694) 3.664 1.627 ( -5.688 0.000 -1.134) 5.800 1.679 ( -1.421 0.000 1.385) 1.985 1.733 ( -5.880 0.000 -1.134) 5.989 1.756 ( 0.270 0.000 2.287) 2.303 1.764 ( 2.888 0.000 -10.824) 11.202 1.795 ( -5.923 0.000 3.605) 6.934 1.859 ( -11.692 0.000 4.205) 12.425 1.872 ( -2.186 0.000 -1.605) 2.712 1.900 ( -0.734 0.000 -4.833) 4.888 1.950 ( 3.867 0.000 0.961) 3.984 1.980 ( -1.244 0.000 1.050) 1.628 2.060 ( -2.382 0.000 -2.574) 3.507 2.061 ( 0.020 0.000 -6.597) 6.597 2.135 ( -2.149 0.000 -1.520) 2.632 2.149 ( 2.500 0.000 1.002) 2.693 2.172 ( 0.105 0.000 -2.355) 2.358 2.195 ( -0.032 0.000 -1.818) 1.818 2.244 ( -2.131 0.000 -3.307) 3.934 2.252 ( -5.176 0.000 2.938) 5.952 2.301 ( -3.983 0.000 -6.449) 7.580 2.338 ( -0.861 0.000 1.377) 1.624 2.351 ( -1.290 0.000 -1.607) 2.061 2.395 ( 1.538 0.000 5.874) 6.072 2.445 ( -1.061 0.000 0.525) 1.184 2.485 ( 3.498 0.000 -8.707) 9.383 2.488 ( 2.918 0.000 6.604) 7.220 2.560 ( 1.432 0.000 -1.612) 2.156 2.578 ( -3.281 0.000 -5.405) 6.323 2.596 ( 1.246 0.000 -0.151) 1.255 2.643 ( 3.565 0.000 -0.118) 3.567 2.667 ( 1.660 0.000 -2.159) 2.723 2.706 ( 2.556 0.000 0.787) 2.675 2.738 ( 2.458 0.000 -0.167) 2.464 2.756 ( 2.676 0.000 0.389) 2.704 2.847 ( 3.714 0.000 -4.074) 5.513 2.854 ( 2.713 0.000 2.677) 3.812 2.948 ( 3.506 0.000 1.895) 3.986 2.950 ( 0.597 0.000 -3.289) 3.343 3.096 ( -3.453 0.000 -1.097) 3.623 3.102 ( -1.483 0.000 4.457) 4.697 3.222 ( -2.316 0.000 0.272) 2.332 3.293 ( 1.491 0.000 -5.505) 5.703 3.353 ( 1.371 0.000 -0.984) 1.687 3.389 ( 6.901 0.000 0.033) 6.902 3.438 ( -6.656 0.000 -1.726) 6.876 3.619 ( -0.575 0.000 3.886) 3.929 3.716 ( 2.896 0.000 -0.996) 3.063 3.807 ( 5.981 0.000 -0.187) 5.984 4.637 ( -2.478 0.000 -1.227) 2.766 4.646 ( -2.034 0.000 -0.275) 2.052 4.682 ( -0.383 0.000 0.604) 0.715 4.682 ( 0.673 0.000 0.735) 0.996 4.828 ( -0.885 0.000 -0.030) 0.886 4.838 ( -1.271 0.000 -1.409) 1.897 4.888 ( 2.710 0.000 1.419) 3.059 4.892 ( 3.412 0.000 0.526) 3.452 4.992 ( 1.212 0.000 0.181) 1.225 4.996 ( 1.393 0.000 -3.052) 3.355 5.057 ( 0.121 0.000 0.608) 0.620 5.064 ( -0.482 0.000 -0.847) 0.974 5.197 ( -4.257 0.000 -2.240) 4.810 5.233 ( -2.708 0.000 -1.782) 3.242 5.296 ( -5.461 0.000 0.116) 5.463 5.303 ( -1.972 0.000 -0.934) 2.182 5.360 ( -0.708 0.000 -1.933) 2.059 5.371 ( -0.229 0.000 -2.942) 2.951 5.478 ( -0.608 0.000 4.849) 4.887 5.518 ( -5.848 0.000 -3.159) 6.647 5.566 ( 0.135 0.000 0.015) 0.136 5.582 ( -4.109 0.000 -0.040) 4.109 5.687 ( 2.499 0.000 0.646) 2.581 5.756 ( 2.215 0.000 -0.203) 2.224 5.886 ( 4.283 0.000 2.030) 4.740 5.911 ( 4.847 0.000 4.998) 6.963 5.925 ( 5.009 0.000 -1.039) 5.115 5.969 ( 5.286 0.000 5.009) 7.282 7.484 ( -0.848 0.000 3.390) 3.494 7.485 ( -0.694 0.000 3.004) 3.083 7.644 ( 4.082 0.000 -3.150) 5.156 7.658 ( 4.763 0.000 -2.310) 5.294 8.003 ( -3.010 0.000 -0.461) 3.045 8.033 ( -2.240 0.000 0.493) 2.294 8.223 ( -0.873 0.000 -1.052) 1.367 8.224 ( -1.598 0.000 -0.564) 1.694 8.559 ( -0.341 0.000 -0.462) 0.574 8.569 ( 0.759 0.000 0.311) 0.820 8.756 ( 0.256 0.000 2.236) 2.251 8.779 ( -1.376 0.000 1.752) 2.227 8.822 ( 0.550 0.000 -1.840) 1.921 8.838 ( 3.411 0.000 -2.310) 4.119 8.990 ( -2.725 0.000 0.270) 2.738 9.002 ( -1.956 0.000 -1.054) 2.222 9.106 ( -1.902 0.000 -0.382) 1.940 9.134 ( -3.036 0.000 -0.432) 3.066 9.160 ( 0.421 0.000 -4.610) 4.630 9.218 ( 0.536 0.000 -3.026) 3.073 9.285 ( -2.783 0.000 1.280) 3.063 9.352 ( 0.134 0.000 -3.286) 3.289 9.395 ( -3.130 0.000 2.152) 3.798 9.479 ( -0.269 0.000 -6.323) 6.329 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -2.237 0.000 -3.048) 3.780 1.274 ( -1.490 0.000 -4.963) 5.181 1.384 ( -4.571 0.000 5.379) 7.060 1.400 ( -2.348 0.000 3.471) 4.191 1.442 ( 0.839 0.000 8.387) 8.429 1.463 ( -1.568 0.000 2.806) 3.214 1.478 ( -1.637 0.000 2.269) 2.798 1.503 ( -0.823 0.000 -0.309) 0.879 1.565 ( -10.746 0.000 -3.819) 11.404 1.617 ( 2.367 0.000 4.928) 5.467 1.654 ( -2.505 0.000 2.071) 3.250 1.695 ( -4.047 0.000 -3.171) 5.141 1.724 ( -2.508 0.000 0.650) 2.591 1.759 ( -4.652 0.000 5.948) 7.551 1.762 ( -0.298 0.000 -3.671) 3.683 1.807 ( -3.294 0.000 -2.544) 4.162 1.898 ( 1.984 0.000 3.452) 3.981 1.914 ( -3.185 0.000 -2.107) 3.818 1.971 ( -4.804 0.000 -2.626) 5.475 2.009 ( -0.355 0.000 -4.248) 4.263 2.019 ( 1.488 0.000 3.034) 3.379 2.062 ( -2.596 0.000 -3.682) 4.505 2.101 ( -5.887 0.000 -5.880) 8.320 2.134 ( -3.795 0.000 -0.435) 3.820 2.142 ( -2.909 0.000 -1.442) 3.247 2.176 ( -0.665 0.000 -1.450) 1.595 2.201 ( -1.968 0.000 -6.072) 6.383 2.259 ( 0.579 0.000 3.202) 3.253 2.286 ( -4.154 0.000 -0.704) 4.213 2.344 ( -0.378 0.000 1.829) 1.868 2.368 ( -1.658 0.000 -0.493) 1.730 2.447 ( 0.580 0.000 0.297) 0.652 2.484 ( -2.687 0.000 -1.117) 2.910 2.528 ( 5.348 0.000 -9.564) 10.958 2.557 ( -2.142 0.000 0.847) 2.303 2.593 ( 7.002 0.000 -4.426) 8.284 2.666 ( 1.301 0.000 -2.538) 2.852 2.689 ( 6.194 0.000 2.556) 6.701 2.725 ( 3.336 0.000 -0.196) 3.342 2.754 ( -0.005 0.000 -1.147) 1.147 2.779 ( -1.998 0.000 1.114) 2.287 2.790 ( 6.116 0.000 -2.970) 6.799 2.873 ( 2.248 0.000 1.374) 2.635 2.896 ( 2.678 0.000 -2.020) 3.355 2.955 ( 1.386 0.000 -1.585) 2.105 3.004 ( 2.037 0.000 -2.725) 3.403 3.064 ( -0.430 0.000 1.015) 1.102 3.105 ( -0.661 0.000 1.441) 1.585 3.165 ( -14.607 0.000 -0.354) 14.611 3.184 ( -1.458 0.000 0.715) 1.624 3.254 ( -0.376 0.000 -4.588) 4.603 3.477 ( -2.741 0.000 -0.626) 2.811 3.506 ( 5.830 0.000 3.318) 6.708 3.574 ( 0.046 0.000 2.929) 2.930 3.817 ( 5.276 0.000 1.366) 5.450 3.902 ( 4.728 0.000 -1.800) 5.059 4.589 ( -1.516 0.000 -1.320) 2.010 4.604 ( -2.123 0.000 -0.530) 2.189 4.695 ( 0.896 0.000 1.622) 1.853 4.721 ( 2.479 0.000 1.335) 2.816 4.791 ( -2.277 0.000 -1.151) 2.551 4.804 ( -1.892 0.000 0.284) 1.913 4.938 ( 0.959 0.000 1.888) 2.117 4.955 ( 2.657 0.000 -0.013) 2.657 5.003 ( 2.046 0.000 -3.117) 3.729 5.004 ( -0.259 0.000 -1.079) 1.110 5.047 ( -0.742 0.000 -0.095) 0.749 5.065 ( 1.338 0.000 -2.196) 2.572 5.099 ( -3.655 0.000 -1.145) 3.830 5.166 ( -1.886 0.000 -2.330) 2.998 5.205 ( -3.222 0.000 -1.742) 3.663 5.243 ( -2.829 0.000 -2.569) 3.821 5.329 ( -2.973 0.000 -0.956) 3.123 5.341 ( -2.096 0.000 -2.591) 3.332 5.364 ( -5.437 0.000 -0.416) 5.453 5.424 ( -3.881 0.000 0.082) 3.881 5.588 ( 1.522 0.000 0.244) 1.541 5.592 ( 1.029 0.000 2.782) 2.966 5.753 ( 2.348 0.000 3.700) 4.382 5.804 ( 2.743 0.000 0.615) 2.811 6.004 ( 5.740 0.000 0.237) 5.745 6.019 ( 2.010 0.000 4.959) 5.351 6.032 ( 6.056 0.000 2.838) 6.688 6.113 ( 4.455 0.000 7.249) 8.509 7.508 ( 0.786 0.000 2.991) 3.093 7.514 ( 1.405 0.000 2.905) 3.227 7.701 ( 3.710 0.000 -2.133) 4.280 7.734 ( 4.175 0.000 -0.538) 4.210 7.951 ( -1.536 0.000 -0.407) 1.589 7.962 ( -4.005 0.000 -1.775) 4.381 8.167 ( -3.402 0.000 -1.574) 3.748 8.190 ( -1.863 0.000 -1.506) 2.395 8.564 ( 1.158 0.000 0.425) 1.233 8.611 ( 2.992 0.000 1.997) 3.598 8.760 ( -1.246 0.000 1.075) 1.646 8.781 ( -0.773 0.000 3.834) 3.911 8.819 ( 1.528 0.000 -2.952) 3.324 8.875 ( -0.758 0.000 -0.199) 0.784 8.931 ( -1.088 0.000 -2.716) 2.926 8.946 ( -2.186 0.000 -2.433) 3.271 9.012 ( -5.023 0.000 -4.619) 6.824 9.073 ( -3.060 0.000 -1.280) 3.317 9.106 ( -1.396 0.000 -6.852) 6.992 9.173 ( -2.208 0.000 -4.667) 5.163 9.239 ( -3.020 0.000 0.736) 3.109 9.307 ( -1.384 0.000 -4.822) 5.017 9.336 ( -3.032 0.000 -1.032) 3.203 9.406 ( -1.874 0.000 -6.280) 6.553 ======================= Grid point 66 (40/50) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -4.209 0.000 -5.220) 6.705 1.193 ( 2.807 0.000 -9.081) 9.505 1.220 ( -3.873 0.000 -8.396) 9.246 1.237 ( -14.072 0.000 -5.300) 15.037 1.424 ( 1.359 0.000 5.112) 5.289 1.506 ( 2.596 0.000 1.978) 3.264 1.520 ( 2.778 0.000 2.199) 3.543 1.609 ( -2.940 0.000 -0.568) 2.994 1.612 ( 4.792 0.000 5.370) 7.197 1.628 ( 0.792 0.000 4.333) 4.405 1.660 ( -0.248 0.000 3.521) 3.530 1.686 ( 8.035 0.000 6.252) 10.181 1.707 ( -2.333 0.000 -3.055) 3.844 1.714 ( 1.598 0.000 -3.151) 3.533 1.768 ( 4.331 0.000 -1.772) 4.679 1.828 ( 1.789 0.000 7.273) 7.490 1.848 ( -0.085 0.000 -2.961) 2.962 1.861 ( -2.887 0.000 -4.205) 5.101 1.864 ( -6.393 0.000 -2.057) 6.716 1.979 ( -0.926 0.000 -5.692) 5.767 1.983 ( 0.320 0.000 -3.517) 3.531 1.993 ( -1.591 0.000 -2.194) 2.710 2.076 ( -1.332 0.000 -1.112) 1.735 2.093 ( -0.274 0.000 -1.568) 1.592 2.098 ( 1.068 0.000 1.284) 1.670 2.107 ( -5.942 0.000 0.165) 5.944 2.148 ( 0.727 0.000 -2.398) 2.506 2.240 ( 0.375 0.000 1.241) 1.297 2.263 ( -1.278 0.000 -0.362) 1.328 2.326 ( 0.513 0.000 -2.268) 2.325 2.392 ( -0.075 0.000 2.654) 2.655 2.414 ( -2.133 0.000 -1.171) 2.434 2.456 ( -0.034 0.000 -1.159) 1.160 2.498 ( -3.621 0.000 -1.542) 3.936 2.588 ( 4.123 0.000 -0.344) 4.138 2.672 ( 3.540 0.000 -3.030) 4.659 2.673 ( -6.825 0.000 1.359) 6.959 2.687 ( -3.120 0.000 -2.156) 3.793 2.723 ( 6.806 0.000 -3.103) 7.480 2.731 ( -3.001 0.000 -0.570) 3.054 2.803 ( 3.879 0.000 1.765) 4.262 2.869 ( 3.554 0.000 -0.867) 3.658 2.886 ( -15.881 0.000 4.719) 16.567 2.889 ( 2.080 0.000 -6.572) 6.893 2.961 ( -1.541 0.000 -1.851) 2.409 2.986 ( -1.336 0.000 -4.289) 4.492 3.020 ( 5.607 0.000 4.600) 7.252 3.069 ( 1.733 0.000 2.819) 3.309 3.085 ( -0.726 0.000 -1.138) 1.350 3.187 ( -0.422 0.000 0.950) 1.040 3.251 ( 3.051 0.000 -1.880) 3.583 3.320 ( -10.457 0.000 1.361) 10.545 3.617 ( 2.859 0.000 3.392) 4.436 3.645 ( 1.993 0.000 2.276) 3.025 3.894 ( 2.125 0.000 0.698) 2.237 3.941 ( 1.246 0.000 -2.265) 2.585 4.564 ( -0.213 0.000 -1.118) 1.138 4.569 ( -1.033 0.000 -0.719) 1.258 4.713 ( -0.238 0.000 0.085) 0.252 4.727 ( -1.016 0.000 -1.479) 1.794 4.791 ( -0.033 0.000 2.418) 2.419 4.809 ( 2.803 0.000 2.344) 3.654 4.951 ( -0.433 0.000 0.584) 0.727 4.953 ( -2.693 0.000 -1.390) 3.031 4.979 ( 0.184 0.000 -0.529) 0.560 5.022 ( 2.396 0.000 -2.899) 3.761 5.041 ( -0.122 0.000 0.267) 0.293 5.052 ( -0.194 0.000 -3.214) 3.220 5.065 ( -0.530 0.000 0.437) 0.687 5.134 ( -0.898 0.000 -3.420) 3.536 5.169 ( 0.554 0.000 -1.651) 1.741 5.179 ( -2.353 0.000 -0.577) 2.423 5.246 ( -1.275 0.000 -0.964) 1.599 5.262 ( -3.544 0.000 0.664) 3.606 5.354 ( 0.148 0.000 0.490) 0.512 5.380 ( -1.172 0.000 -0.712) 1.371 5.617 ( -0.309 0.000 1.865) 1.891 5.621 ( 1.888 0.000 -0.055) 1.889 5.811 ( 0.800 0.000 3.661) 3.748 5.854 ( 2.363 0.000 -0.277) 2.379 6.057 ( -1.480 0.000 4.178) 4.432 6.085 ( 4.080 0.000 -1.552) 4.365 6.168 ( 5.662 0.000 3.144) 6.476 6.203 ( -0.314 0.000 5.437) 5.446 7.562 ( 2.794 0.000 2.979) 4.084 7.577 ( 2.919 0.000 2.605) 3.913 7.714 ( -0.431 0.000 -2.546) 2.583 7.741 ( -2.756 0.000 -2.547) 3.753 7.936 ( 2.335 0.000 1.255) 2.651 7.972 ( 3.589 0.000 1.200) 3.784 8.091 ( -2.961 0.000 -2.640) 3.967 8.125 ( -3.733 0.000 -2.489) 4.487 8.609 ( 2.415 0.000 2.535) 3.501 8.699 ( 3.287 0.000 4.476) 5.553 8.759 ( 0.176 0.000 -0.098) 0.202 8.775 ( -1.027 0.000 -0.727) 1.258 8.798 ( -3.291 0.000 -3.340) 4.689 8.824 ( -0.955 0.000 1.569) 1.837 8.889 ( -3.729 0.000 -2.826) 4.679 8.907 ( -0.449 0.000 -1.951) 2.002 8.913 ( -2.325 0.000 1.171) 2.603 9.019 ( -1.321 0.000 -8.077) 8.185 9.037 ( 0.685 0.000 -2.430) 2.525 9.079 ( -3.364 0.000 -4.752) 5.822 9.186 ( -2.585 0.000 0.133) 2.589 9.240 ( -1.376 0.000 -4.964) 5.151 9.293 ( -0.642 0.000 -1.118) 1.289 9.333 ( -1.670 0.000 -3.795) 4.147 ======================= Grid point 67 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -9.155 0.000 4.745) 10.312 1.029 ( -8.190 0.000 5.899) 10.093 1.214 ( 5.581 0.000 -4.049) 6.894 1.243 ( 10.654 0.000 -6.361) 12.409 1.494 ( 0.783 0.000 2.569) 2.685 1.547 ( 2.627 0.000 -4.167) 4.926 1.576 ( -1.028 0.000 0.191) 1.046 1.611 ( 3.977 0.000 0.949) 4.088 1.648 ( 2.503 0.000 -1.835) 3.104 1.649 ( 1.409 0.000 -1.399) 1.986 1.659 ( -5.476 0.000 -0.760) 5.528 1.735 ( 3.186 0.000 -3.423) 4.676 1.739 ( 8.909 0.000 -0.390) 8.917 1.781 ( 1.745 0.000 -2.837) 3.331 1.787 ( 0.277 0.000 0.828) 0.873 1.811 ( -0.141 0.000 -1.783) 1.789 1.875 ( 1.395 0.000 -8.145) 8.263 1.876 ( 6.543 0.000 -2.200) 6.903 1.937 ( 5.205 0.000 2.829) 5.924 1.941 ( 2.303 0.000 -1.852) 2.955 1.968 ( -0.753 0.000 -2.931) 3.026 1.974 ( 2.318 0.000 -4.716) 5.255 2.021 ( 1.390 0.000 2.129) 2.543 2.088 ( 2.053 0.000 -2.553) 3.276 2.098 ( 3.163 0.000 -0.497) 3.202 2.120 ( 4.461 0.000 -0.998) 4.571 2.210 ( -2.596 0.000 -3.951) 4.727 2.213 ( 2.425 0.000 3.568) 4.314 2.281 ( 1.002 0.000 2.128) 2.351 2.290 ( -2.205 0.000 -3.815) 4.407 2.382 ( -0.198 0.000 2.017) 2.027 2.383 ( -2.618 0.000 2.369) 3.531 2.415 ( -6.724 0.000 3.164) 7.432 2.481 ( 2.499 0.000 0.481) 2.545 2.512 ( -11.077 0.000 5.706) 12.461 2.616 ( -4.522 0.000 0.919) 4.615 2.642 ( 1.050 0.000 2.336) 2.562 2.709 ( 0.275 0.000 1.511) 1.536 2.709 ( -1.044 0.000 0.669) 1.240 2.730 ( -4.968 0.000 7.122) 8.684 2.754 ( 2.505 0.000 -5.557) 6.095 2.837 ( -6.064 0.000 -1.474) 6.241 2.852 ( -6.788 0.000 2.126) 7.113 2.881 ( 0.580 0.000 5.137) 5.170 2.922 ( -2.809 0.000 1.405) 3.141 2.989 ( 10.474 0.000 -4.550) 11.420 3.058 ( -0.577 0.000 -1.052) 1.200 3.081 ( 1.726 0.000 -0.329) 1.757 3.138 ( -3.640 0.000 -2.178) 4.242 3.177 ( 3.550 0.000 2.027) 4.088 3.206 ( -3.762 0.000 1.890) 4.210 3.334 ( 6.571 0.000 0.104) 6.572 3.648 ( -1.731 0.000 1.778) 2.482 3.648 ( -3.191 0.000 0.761) 3.280 3.906 ( -1.207 0.000 0.853) 1.478 3.921 ( -1.522 0.000 -1.837) 2.385 4.558 ( 0.351 0.000 -0.489) 0.602 4.565 ( 1.068 0.000 -0.483) 1.172 4.710 ( 0.266 0.000 0.320) 0.416 4.714 ( 0.308 0.000 -0.351) 0.467 4.807 ( -1.215 0.000 2.232) 2.541 4.840 ( -0.274 0.000 -1.686) 1.708 4.928 ( -0.408 0.000 2.703) 2.733 4.942 ( -0.013 0.000 -0.161) 0.162 4.979 ( 0.380 0.000 -0.246) 0.453 5.008 ( -0.160 0.000 -3.955) 3.958 5.035 ( -0.528 0.000 0.110) 0.539 5.068 ( 1.616 0.000 -0.053) 1.617 5.082 ( -0.032 0.000 -3.618) 3.618 5.085 ( 1.685 0.000 1.284) 2.118 5.151 ( -0.485 0.000 0.651) 0.811 5.180 ( 1.310 0.000 -0.724) 1.497 5.228 ( -0.284 0.000 0.888) 0.932 5.278 ( 3.814 0.000 -0.867) 3.911 5.360 ( -0.741 0.000 -0.085) 0.746 5.361 ( 0.123 0.000 1.211) 1.217 5.614 ( -0.897 0.000 0.591) 1.074 5.652 ( 1.938 0.000 -1.381) 2.379 5.832 ( -0.912 0.000 1.917) 2.123 5.876 ( 0.954 0.000 -2.471) 2.649 6.037 ( -3.526 0.000 3.021) 4.643 6.127 ( 2.032 0.000 -2.507) 3.227 6.191 ( -3.275 0.000 0.905) 3.398 6.263 ( 2.903 0.000 -0.389) 2.929 7.622 ( -0.498 0.000 -2.053) 2.113 7.625 ( 0.415 0.000 -1.271) 1.337 7.684 ( 0.379 0.000 -0.276) 0.469 7.703 ( 3.615 0.000 0.366) 3.633 7.999 ( -0.332 0.000 0.319) 0.460 8.008 ( -3.144 0.000 -5.350) 6.205 8.039 ( -0.698 0.000 0.230) 0.735 8.067 ( 3.880 0.000 2.868) 4.825 8.671 ( -4.461 0.000 -3.351) 5.579 8.685 ( 2.964 0.000 4.760) 5.607 8.748 ( -1.762 0.000 0.777) 1.926 8.776 ( -0.032 0.000 -1.173) 1.173 8.791 ( 1.856 0.000 4.544) 4.909 8.794 ( -2.949 0.000 -1.784) 3.447 8.874 ( 2.159 0.000 2.886) 3.604 8.881 ( 0.785 0.000 -1.726) 1.897 8.913 ( 0.292 0.000 2.828) 2.843 8.976 ( 2.106 0.000 -4.558) 5.021 9.003 ( -2.858 0.000 -0.405) 2.886 9.015 ( -1.431 0.000 -0.167) 1.441 9.182 ( 1.645 0.000 1.060) 1.957 9.208 ( 1.668 0.000 -2.651) 3.132 9.290 ( 0.294 0.000 0.648) 0.712 9.291 ( -0.806 0.000 -1.092) 1.357 ======================= Grid point 68 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -3.603 0.000 14.569) 15.008 1.013 ( 0.273 0.000 17.315) 17.317 1.339 ( 8.126 0.000 3.221) 8.741 1.460 ( 3.887 0.000 2.031) 4.386 1.466 ( -0.157 0.000 -1.366) 1.375 1.481 ( -3.738 0.000 1.667) 4.093 1.592 ( 4.547 0.000 -3.192) 5.555 1.601 ( 5.495 0.000 -4.318) 6.988 1.613 ( -0.717 0.000 -4.163) 4.225 1.683 ( -0.895 0.000 -6.946) 7.004 1.715 ( 3.291 0.000 0.207) 3.297 1.757 ( 1.433 0.000 -4.046) 4.292 1.791 ( 2.138 0.000 3.330) 3.957 1.795 ( 5.260 0.000 -4.014) 6.617 1.824 ( 2.385 0.000 -7.515) 7.884 1.883 ( 6.848 0.000 -5.508) 8.788 1.885 ( 7.923 0.000 -3.553) 8.683 1.954 ( 3.962 0.000 -5.187) 6.527 1.955 ( 3.340 0.000 -1.236) 3.562 1.991 ( 3.973 0.000 -6.739) 7.823 2.011 ( 4.979 0.000 1.069) 5.092 2.055 ( 2.195 0.000 3.083) 3.784 2.079 ( 0.186 0.000 0.595) 0.623 2.119 ( -2.092 0.000 -4.862) 5.293 2.125 ( 1.689 0.000 0.907) 1.917 2.155 ( 2.834 0.000 -1.927) 3.427 2.158 ( -0.134 0.000 0.100) 0.167 2.249 ( -3.774 0.000 9.040) 9.796 2.293 ( -1.128 0.000 4.852) 4.981 2.298 ( 4.633 0.000 0.750) 4.694 2.311 ( 1.881 0.000 0.946) 2.105 2.394 ( 1.265 0.000 4.203) 4.389 2.400 ( -0.698 0.000 -0.077) 0.702 2.471 ( -0.378 0.000 1.968) 2.004 2.534 ( 2.147 0.000 1.941) 2.894 2.538 ( -5.381 0.000 2.274) 5.842 2.629 ( -5.899 0.000 2.087) 6.257 2.629 ( -7.957 0.000 5.212) 9.512 2.676 ( -7.370 0.000 4.925) 8.864 2.704 ( -2.771 0.000 1.945) 3.385 2.728 ( -0.109 0.000 0.919) 0.926 2.780 ( 0.798 0.000 -0.270) 0.842 2.868 ( 3.900 0.000 4.672) 6.086 2.892 ( 0.224 0.000 1.189) 1.210 2.916 ( -1.572 0.000 4.239) 4.521 3.038 ( -1.845 0.000 -7.572) 7.794 3.081 ( 1.029 0.000 -0.414) 1.109 3.108 ( 2.180 0.000 -0.417) 2.220 3.154 ( -2.019 0.000 3.465) 4.010 3.170 ( 8.401 0.000 0.450) 8.414 3.218 ( 1.490 0.000 -1.222) 1.927 3.439 ( 1.414 0.000 2.474) 2.850 3.548 ( -7.411 0.000 -0.451) 7.425 3.603 ( -1.935 0.000 0.078) 1.937 3.859 ( -3.569 0.000 -2.465) 4.338 3.869 ( -3.742 0.000 1.283) 3.956 4.577 ( 1.982 0.000 -0.089) 1.984 4.597 ( 2.550 0.000 0.055) 2.551 4.715 ( -0.459 0.000 -0.423) 0.624 4.719 ( -0.702 0.000 1.015) 1.234 4.789 ( -0.234 0.000 0.031) 0.236 4.823 ( 0.712 0.000 -1.586) 1.739 4.933 ( -1.958 0.000 3.433) 3.952 4.951 ( -0.511 0.000 1.244) 1.345 4.974 ( -1.271 0.000 -0.880) 1.546 4.979 ( -0.143 0.000 -1.566) 1.573 5.032 ( -0.088 0.000 0.580) 0.587 5.055 ( -0.807 0.000 -0.290) 0.858 5.109 ( 3.562 0.000 -2.060) 4.115 5.129 ( 2.431 0.000 1.504) 2.859 5.193 ( 4.691 0.000 0.040) 4.692 5.209 ( 2.201 0.000 0.704) 2.311 5.279 ( 2.678 0.000 3.224) 4.191 5.320 ( 0.522 0.000 -0.089) 0.529 5.364 ( 2.327 0.000 -0.034) 2.327 5.414 ( 5.595 0.000 0.866) 5.662 5.599 ( -0.742 0.000 -0.475) 0.881 5.658 ( 0.467 0.000 -3.467) 3.499 5.809 ( -2.391 0.000 0.326) 2.413 5.844 ( -1.419 0.000 -4.953) 5.153 5.980 ( -4.497 0.000 1.596) 4.772 6.105 ( -4.841 0.000 -3.978) 6.266 6.110 ( -1.498 0.000 -3.892) 4.171 6.237 ( -3.981 0.000 -5.052) 6.433 7.578 ( -0.430 0.000 -4.013) 4.036 7.584 ( -1.024 0.000 -4.209) 4.331 7.674 ( -3.520 0.000 0.602) 3.571 7.761 ( -2.492 0.000 -3.162) 4.026 7.937 ( 2.633 0.000 -0.031) 2.634 7.954 ( 0.258 0.000 -0.953) 0.987 8.117 ( 3.943 0.000 3.407) 5.211 8.143 ( 1.821 0.000 3.044) 3.548 8.584 ( -2.615 0.000 -1.600) 3.066 8.660 ( -4.781 0.000 -2.644) 5.463 8.764 ( 0.817 0.000 0.551) 0.985 8.770 ( -0.509 0.000 0.836) 0.979 8.831 ( 6.875 0.000 5.967) 9.103 8.855 ( 1.433 0.000 0.382) 1.483 8.899 ( -0.249 0.000 0.026) 0.250 8.903 ( -2.160 0.000 -0.408) 2.199 8.949 ( 2.300 0.000 0.658) 2.393 8.958 ( 2.547 0.000 6.164) 6.669 9.042 ( 4.501 0.000 1.153) 4.646 9.059 ( 2.049 0.000 7.310) 7.592 9.236 ( 2.402 0.000 2.048) 3.157 9.249 ( 2.809 0.000 -0.477) 2.849 9.303 ( 2.841 0.000 1.786) 3.356 9.312 ( 0.571 0.000 3.045) 3.098 ======================= Grid point 69 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 2.510 0.000 18.152) 18.325 1.204 ( 3.975 0.000 15.457) 15.960 1.290 ( -9.306 0.000 2.492) 9.634 1.398 ( -6.587 0.000 3.774) 7.591 1.516 ( 4.899 0.000 5.837) 7.620 1.558 ( 2.654 0.000 -5.451) 6.063 1.629 ( 1.771 0.000 0.159) 1.778 1.633 ( 4.912 0.000 -5.766) 7.575 1.658 ( -2.093 0.000 -0.082) 2.095 1.726 ( -3.405 0.000 2.784) 4.398 1.756 ( 5.089 0.000 -5.928) 7.813 1.767 ( 8.622 0.000 -1.211) 8.707 1.791 ( -3.576 0.000 8.392) 9.123 1.834 ( 5.463 0.000 -6.492) 8.485 1.858 ( 2.030 0.000 -2.824) 3.478 1.908 ( -2.211 0.000 -2.451) 3.301 1.976 ( -3.633 0.000 -0.799) 3.720 1.981 ( 3.448 0.000 -3.812) 5.140 1.999 ( 7.301 0.000 -7.478) 10.451 2.007 ( 7.820 0.000 -2.087) 8.094 2.028 ( 0.189 0.000 -1.435) 1.448 2.035 ( -2.561 0.000 3.671) 4.476 2.121 ( 0.595 0.000 1.838) 1.932 2.128 ( 2.237 0.000 0.858) 2.396 2.178 ( 5.042 0.000 1.888) 5.384 2.212 ( 3.726 0.000 -1.984) 4.222 2.218 ( 4.530 0.000 0.655) 4.577 2.287 ( -0.643 0.000 3.010) 3.078 2.322 ( 2.929 0.000 -3.456) 4.530 2.349 ( 2.606 0.000 2.098) 3.346 2.363 ( -0.235 0.000 -1.585) 1.602 2.402 ( 2.755 0.000 1.857) 3.322 2.464 ( -0.823 0.000 4.517) 4.591 2.486 ( -0.861 0.000 1.821) 2.014 2.524 ( -5.421 0.000 4.934) 7.330 2.533 ( 3.962 0.000 1.402) 4.203 2.547 ( -2.595 0.000 8.367) 8.760 2.579 ( 0.229 0.000 2.587) 2.598 2.636 ( -0.701 0.000 3.937) 3.999 2.672 ( -1.772 0.000 -0.569) 1.861 2.726 ( -2.165 0.000 0.929) 2.356 2.771 ( -2.440 0.000 1.054) 2.658 2.861 ( -3.243 0.000 -1.975) 3.797 2.884 ( -0.767 0.000 -6.591) 6.635 2.972 ( 2.474 0.000 0.517) 2.527 2.976 ( 0.584 0.000 -3.279) 3.331 3.058 ( -3.063 0.000 2.119) 3.724 3.150 ( 2.693 0.000 -0.690) 2.780 3.190 ( 3.086 0.000 3.967) 5.026 3.248 ( 3.485 0.000 -1.789) 3.917 3.329 ( 4.171 0.000 1.716) 4.511 3.376 ( -6.945 0.000 0.812) 6.992 3.413 ( -4.036 0.000 0.982) 4.154 3.635 ( 2.731 0.000 1.767) 3.253 3.754 ( -4.979 0.000 -4.028) 6.405 3.799 ( -4.218 0.000 0.505) 4.248 4.624 ( 3.098 0.000 -0.060) 3.099 4.648 ( 2.623 0.000 -0.338) 2.644 4.697 ( -0.447 0.000 -0.750) 0.873 4.698 ( -1.141 0.000 -0.333) 1.189 4.812 ( 1.321 0.000 1.061) 1.694 4.832 ( 0.490 0.000 -0.345) 0.600 4.906 ( -2.979 0.000 1.076) 3.168 4.908 ( -2.913 0.000 -1.077) 3.105 4.962 ( 0.232 0.000 -0.892) 0.922 4.978 ( 0.250 0.000 1.674) 1.692 5.034 ( -1.085 0.000 1.092) 1.539 5.045 ( 0.753 0.000 1.294) 1.497 5.184 ( 5.163 0.000 -1.121) 5.283 5.204 ( 3.830 0.000 1.359) 4.064 5.272 ( 3.614 0.000 1.745) 4.013 5.294 ( 4.154 0.000 1.275) 4.345 5.317 ( 0.205 0.000 2.553) 2.561 5.330 ( 2.095 0.000 0.539) 2.163 5.455 ( 3.509 0.000 2.685) 4.419 5.545 ( 7.338 0.000 -0.972) 7.402 5.591 ( 1.831 0.000 -1.702) 2.500 5.612 ( -1.682 0.000 -4.025) 4.362 5.752 ( -3.968 0.000 -5.250) 6.581 5.760 ( -2.920 0.000 -0.121) 2.922 5.902 ( -4.776 0.000 0.646) 4.819 5.961 ( -6.140 0.000 -5.949) 8.549 6.009 ( -5.713 0.000 -4.903) 7.528 6.070 ( -8.068 0.000 -4.991) 9.487 7.533 ( -2.258 0.000 -1.675) 2.811 7.542 ( -1.910 0.000 -1.590) 2.485 7.605 ( -2.175 0.000 -0.164) 2.182 7.647 ( -3.884 0.000 -1.812) 4.286 7.987 ( 2.364 0.000 0.983) 2.560 8.032 ( 3.704 0.000 0.536) 3.742 8.189 ( 1.463 0.000 2.276) 2.705 8.202 ( 2.768 0.000 1.687) 3.242 8.557 ( 0.200 0.000 -0.332) 0.388 8.583 ( -1.741 0.000 -1.124) 2.072 8.759 ( -1.596 0.000 1.307) 2.062 8.785 ( 0.152 0.000 1.278) 1.287 8.829 ( -2.876 0.000 -1.412) 3.204 8.834 ( 0.419 0.000 -2.711) 2.743 8.965 ( 2.880 0.000 2.885) 4.077 8.979 ( 4.169 0.000 1.403) 4.399 9.043 ( 1.233 0.000 6.581) 6.696 9.063 ( 6.670 0.000 2.910) 7.277 9.131 ( 4.062 0.000 0.513) 4.095 9.139 ( 0.834 0.000 5.495) 5.558 9.289 ( 1.241 0.000 2.663) 2.938 9.294 ( 2.743 0.000 0.354) 2.766 9.356 ( 0.648 0.000 5.410) 5.449 9.408 ( 6.037 0.000 0.882) 6.101 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -1.288 -1.250 11.803) 11.939 1.181 ( 2.831 -5.950 11.638) 13.374 1.423 ( -5.199 4.739 12.695) 14.514 1.467 ( -4.821 6.007 4.411) 8.876 1.493 ( -10.017 -1.824 10.510) 14.633 1.569 ( -4.853 -3.458 0.578) 5.987 1.574 ( -1.665 5.392 -1.863) 5.943 1.657 ( 0.682 -2.533 -3.510) 4.382 1.671 ( 0.638 0.755 0.537) 1.125 1.685 ( 3.448 0.037 -0.726) 3.524 1.781 ( -4.149 2.102 0.450) 4.673 1.796 ( -0.348 0.239 -0.631) 0.759 1.829 ( 0.593 1.131 -5.080) 5.238 1.840 ( 2.481 -2.245 -2.685) 4.290 1.892 ( 2.751 -0.475 -6.985) 7.522 1.898 ( -0.825 -1.193 -1.863) 2.362 1.917 ( -2.413 0.934 -2.643) 3.699 1.961 ( -4.228 -2.521 3.524) 6.054 1.977 ( 0.919 0.568 -2.307) 2.547 2.032 ( 2.137 -3.977 -0.292) 4.525 2.082 ( 2.032 4.352 3.889) 6.180 2.126 ( 5.255 0.464 -4.784) 7.121 2.168 ( 2.231 1.502 0.602) 2.756 2.191 ( -0.143 0.281 -0.967) 1.017 2.209 ( -1.271 0.963 2.757) 3.185 2.256 ( 4.336 -1.592 -1.874) 4.985 2.277 ( -0.501 1.362 3.353) 3.653 2.306 ( 0.673 1.757 0.097) 1.884 2.314 ( -0.145 0.818 3.966) 4.052 2.345 ( -2.729 -3.416 3.844) 5.822 2.371 ( 4.007 -3.126 -0.927) 5.166 2.408 ( 2.541 -6.262 7.712) 10.254 2.484 ( -0.257 2.759 0.265) 2.784 2.488 ( 1.250 2.863 -0.436) 3.154 2.541 ( 1.506 0.055 1.953) 2.466 2.556 ( 1.928 -0.684 0.956) 2.258 2.589 ( 0.266 0.455 -1.702) 1.782 2.618 ( 1.742 -2.547 -1.621) 3.486 2.684 ( -2.043 1.099 1.016) 2.533 2.699 ( -0.089 0.833 -0.243) 0.872 2.705 ( -1.073 0.351 -0.311) 1.171 2.713 ( -1.736 0.334 0.559) 1.854 2.767 ( 0.418 0.287 -7.408) 7.426 2.817 ( 0.597 -4.339 -9.694) 10.637 2.959 ( -0.716 5.769 5.130) 7.753 3.028 ( 0.142 -0.056 0.908) 0.921 3.096 ( -0.597 3.512 1.969) 4.070 3.153 ( 0.467 -1.957 -1.104) 2.295 3.229 ( -2.014 -1.747 1.160) 2.907 3.239 ( -0.259 -2.240 0.549) 2.321 3.299 ( 3.469 0.400 -1.303) 3.727 3.312 ( 3.695 -0.986 -2.681) 4.670 3.560 ( 2.415 3.982 2.602) 5.334 3.606 ( -3.690 -0.637 -1.510) 4.038 3.708 ( 1.830 -0.108 -0.050) 1.834 3.723 ( -1.515 -1.406 -1.189) 2.385 4.672 ( 0.079 0.094 -0.048) 0.132 4.674 ( 1.260 -0.025 -0.166) 1.271 4.676 ( -0.715 0.032 -0.255) 0.760 4.682 ( -0.256 -0.399 -0.684) 0.832 4.838 ( 0.703 0.138 0.852) 1.113 4.839 ( 0.812 0.017 0.586) 1.001 4.858 ( -1.256 0.251 -1.004) 1.627 4.865 ( -0.919 -0.370 -1.489) 1.789 4.992 ( -0.052 1.574 0.513) 1.656 5.006 ( 1.625 1.442 -0.766) 2.303 5.027 ( 0.205 -0.844 1.637) 1.853 5.055 ( 1.189 -1.769 -0.859) 2.298 5.237 ( 0.576 0.129 1.558) 1.666 5.250 ( 0.349 -0.750 1.158) 1.423 5.327 ( -0.286 0.620 1.901) 2.020 5.343 ( 0.423 -0.776 1.423) 1.675 5.375 ( 3.812 1.340 -1.311) 4.248 5.391 ( 1.890 -0.397 -1.974) 2.762 5.469 ( -3.056 1.435 1.229) 3.593 5.503 ( -0.896 -2.260 -1.954) 3.119 5.647 ( -0.871 0.809 -0.598) 1.331 5.665 ( 0.995 -0.441 -1.573) 1.913 5.683 ( -0.364 0.889 -0.806) 1.254 5.700 ( 0.759 -0.281 -1.862) 2.030 5.837 ( -0.891 0.325 0.902) 1.309 5.850 ( -0.522 -1.248 -0.237) 1.373 5.904 ( -2.431 1.244 -2.000) 3.385 5.919 ( -3.577 -0.408 -2.658) 4.475 7.491 ( -2.605 0.140 2.776) 3.809 7.494 ( -2.716 -0.143 2.584) 3.752 7.608 ( 2.540 0.157 -2.806) 3.789 7.611 ( 1.970 -0.225 -3.098) 3.678 8.037 ( 0.481 0.478 1.181) 1.362 8.045 ( -0.767 -0.404 0.375) 0.945 8.229 ( 0.861 0.169 0.438) 0.981 8.233 ( 0.470 -0.205 0.154) 0.535 8.566 ( 0.150 0.198 -0.205) 0.322 8.568 ( 0.036 -0.012 -0.374) 0.376 8.758 ( -1.460 0.012 1.199) 1.890 8.759 ( 0.183 -0.068 1.072) 1.090 8.821 ( 0.851 0.278 -1.036) 1.369 8.826 ( 0.509 -0.203 -1.503) 1.600 9.012 ( 0.042 0.253 1.366) 1.390 9.018 ( 0.174 -0.398 0.762) 0.877 9.113 ( 0.539 1.356 3.374) 3.676 9.139 ( 1.083 -1.463 1.380) 2.284 9.178 ( 1.320 0.790 -0.355) 1.579 9.191 ( 2.634 -0.697 -1.004) 2.904 9.318 ( -0.847 0.860 2.109) 2.430 9.335 ( 0.506 -0.927 1.149) 1.561 9.424 ( 1.285 2.275 1.831) 3.191 9.468 ( 2.968 -2.371 -1.957) 4.273 ======================= Grid point 71 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.661 1.485 4.939) 5.199 1.263 ( 1.478 -4.966 0.623) 5.219 1.393 ( -9.027 2.982 12.412) 15.635 1.429 ( -5.004 1.720 9.742) 11.086 1.449 ( -6.020 0.918 1.673) 6.316 1.479 ( -1.003 1.412 9.062) 9.226 1.575 ( 0.152 -0.897 3.315) 3.437 1.602 ( -3.373 -2.792 -2.169) 4.886 1.624 ( -6.453 3.605 4.028) 8.417 1.682 ( -5.576 -0.947 2.405) 6.145 1.730 ( -4.189 0.221 0.507) 4.226 1.753 ( -2.151 1.447 0.996) 2.777 1.787 ( -5.691 -0.122 1.325) 5.845 1.807 ( -3.291 -2.023 -0.512) 3.897 1.816 ( 0.277 1.495 -9.124) 9.250 1.851 ( -3.755 -0.255 -0.477) 3.794 1.873 ( 0.570 -3.071 -5.906) 6.681 1.911 ( 3.113 -3.579 -3.204) 5.724 2.002 ( -1.412 2.283 1.916) 3.298 2.057 ( -0.943 -2.760 -0.624) 2.982 2.079 ( -2.389 2.684 -1.607) 3.936 2.125 ( -2.344 -1.058 -1.871) 3.180 2.160 ( 0.239 1.444 -4.128) 4.380 2.192 ( -0.541 -0.203 -2.947) 3.003 2.209 ( -0.015 1.892 -1.076) 2.176 2.229 ( -3.184 -1.107 0.390) 3.393 2.259 ( -1.746 -0.085 0.139) 1.753 2.294 ( -2.575 1.606 -1.382) 3.335 2.314 ( 0.121 0.221 -1.879) 1.895 2.383 ( -2.511 -2.538 -0.221) 3.577 2.423 ( -0.688 1.986 0.153) 2.107 2.436 ( -0.875 0.464 1.393) 1.709 2.493 ( 4.835 2.764 -0.314) 5.578 2.524 ( 2.107 1.381 -1.669) 3.022 2.543 ( -0.595 -1.072 -3.981) 4.166 2.564 ( 1.660 -0.050 -1.380) 2.159 2.610 ( 0.852 0.196 -1.004) 1.331 2.624 ( 1.886 -1.566 -2.427) 3.450 2.668 ( 1.436 0.354 -0.526) 1.570 2.708 ( 2.581 0.365 0.930) 2.768 2.720 ( 1.878 -2.175 0.504) 2.918 2.730 ( 4.295 -3.922 4.410) 7.299 2.789 ( 3.041 -0.439 -0.619) 3.134 2.809 ( 2.799 -2.374 -3.798) 5.281 3.001 ( 0.474 3.541 3.262) 4.838 3.030 ( 0.397 2.103 -1.048) 2.383 3.090 ( -0.328 3.729 0.195) 3.749 3.156 ( -0.759 2.768 0.615) 2.936 3.196 ( -1.684 -2.578 -0.124) 3.082 3.245 ( 1.390 -4.996 -3.001) 5.992 3.335 ( -0.293 -0.822 -3.674) 3.776 3.343 ( 2.156 -1.170 -1.730) 3.002 3.527 ( -1.673 5.416 0.799) 5.724 3.598 ( -1.505 -2.634 2.714) 4.070 3.738 ( 4.265 2.361 -0.547) 4.905 3.784 ( 5.519 -2.386 -0.251) 6.018 4.638 ( -2.351 0.154 -0.859) 2.508 4.642 ( -2.103 -0.350 -0.363) 2.162 4.683 ( 0.034 0.093 0.428) 0.439 4.684 ( 0.209 0.037 0.455) 0.502 4.832 ( -0.907 0.351 -0.344) 1.032 4.837 ( -1.067 -0.195 -1.014) 1.485 4.889 ( 3.182 0.258 1.104) 3.377 4.894 ( 3.472 -0.053 0.836) 3.571 4.988 ( -0.090 0.968 -0.635) 1.161 5.019 ( 0.436 -0.678 -1.244) 1.483 5.031 ( 0.068 0.058 -0.652) 0.658 5.057 ( 0.367 -1.244 -2.069) 2.441 5.212 ( -3.463 1.312 -0.516) 3.739 5.230 ( -2.924 -0.529 -0.834) 3.087 5.291 ( -3.904 0.113 -0.475) 3.935 5.301 ( -3.393 -0.617 -1.560) 3.784 5.367 ( -0.381 0.806 -2.404) 2.564 5.376 ( -0.182 0.104 -3.030) 3.038 5.471 ( -2.153 0.053 2.844) 3.568 5.493 ( -3.302 -2.149 0.026) 3.940 5.573 ( -2.737 1.685 0.414) 3.241 5.598 ( -2.085 -0.446 -0.515) 2.193 5.704 ( 1.960 2.133 0.289) 2.911 5.742 ( 1.949 -1.686 -0.122) 2.580 5.885 ( 4.727 0.333 1.768) 5.057 5.899 ( 5.364 -1.076 1.750) 5.744 5.943 ( 4.562 1.468 2.906) 5.605 5.963 ( 4.972 -0.750 4.409) 6.688 7.485 ( -0.790 0.049 3.298) 3.392 7.485 ( -0.712 -0.011 3.114) 3.195 7.647 ( 4.249 0.312 -2.959) 5.188 7.654 ( 4.591 -0.396 -2.537) 5.260 8.010 ( -2.832 0.796 -0.244) 2.952 8.025 ( -2.448 -0.787 0.233) 2.581 8.223 ( -1.047 0.037 -0.930) 1.401 8.224 ( -1.407 0.004 -0.689) 1.567 8.562 ( -0.118 0.267 -0.266) 0.395 8.567 ( 0.418 -0.231 0.104) 0.488 8.764 ( 0.055 0.771 2.415) 2.536 8.776 ( -0.850 -0.448 2.228) 2.427 8.824 ( 1.083 0.308 -2.249) 2.516 8.833 ( 2.572 -0.551 -2.448) 3.594 8.992 ( -2.555 0.239 -0.051) 2.567 8.998 ( -2.175 -0.344 -0.687) 2.307 9.112 ( -2.036 0.642 -0.900) 2.317 9.125 ( -2.395 -0.771 -1.251) 2.810 9.178 ( 0.208 1.575 -3.418) 3.770 9.205 ( 0.458 -1.339 -2.974) 3.294 9.297 ( -2.637 1.347 0.993) 3.123 9.327 ( -1.755 -1.976 -0.143) 2.647 9.423 ( -1.274 2.317 -1.914) 3.264 9.461 ( -0.426 -1.873 -5.100) 5.450 ======================= Grid point 72 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.142 0.529 -6.251) 6.275 1.264 ( -0.677 -5.069 -1.422) 5.308 1.386 ( 0.809 2.879 9.482) 9.942 1.410 ( -1.483 -1.539 5.423) 5.829 1.430 ( -7.630 2.451 1.062) 8.084 1.468 ( -2.439 2.670 1.764) 4.023 1.486 ( -2.770 -0.390 3.869) 4.774 1.531 ( -5.390 -3.119 -0.393) 6.240 1.573 ( -5.248 2.011 4.285) 7.067 1.616 ( -1.167 -1.960 5.088) 5.576 1.659 ( -4.401 1.053 -1.295) 4.707 1.694 ( -1.758 4.348 -3.150) 5.649 1.708 ( -1.675 -0.325 -1.674) 2.390 1.769 ( -1.413 2.026 2.909) 3.817 1.797 ( -1.334 -2.887 -8.560) 9.131 1.829 ( 0.394 -4.536 3.219) 5.576 1.868 ( 1.670 4.148 0.373) 4.487 1.903 ( -2.412 -0.938 0.469) 2.630 1.931 ( -5.937 1.129 -0.778) 6.093 2.007 ( 1.638 -2.343 -1.572) 3.262 2.030 ( -2.951 -1.021 -1.735) 3.572 2.070 ( -3.146 -2.898 -2.286) 4.850 2.091 ( -2.966 2.007 -3.692) 5.143 2.109 ( -5.013 0.498 -2.941) 5.833 2.157 ( -3.494 0.345 -2.360) 4.230 2.178 ( -0.775 -0.470 -4.248) 4.344 2.218 ( -3.535 1.466 -0.231) 3.834 2.255 ( -2.662 -1.886 -1.463) 3.575 2.290 ( -0.051 3.243 1.852) 3.735 2.341 ( -1.018 -1.383 1.704) 2.419 2.381 ( -1.911 1.198 -0.642) 2.345 2.415 ( -0.592 -2.732 -0.809) 2.910 2.507 ( -0.836 2.366 -1.502) 2.924 2.530 ( 2.204 0.125 -6.164) 6.547 2.576 ( 3.925 1.201 -4.312) 5.954 2.592 ( 3.879 -0.651 -4.375) 5.883 2.642 ( 1.943 -1.240 0.087) 2.307 2.654 ( 5.126 -2.744 -3.042) 6.562 2.722 ( 3.232 0.368 -1.219) 3.474 2.744 ( 1.143 -1.327 -0.597) 1.850 2.787 ( -0.789 0.963 -1.196) 1.727 2.799 ( 3.008 0.115 -0.496) 3.050 2.850 ( 5.020 0.479 4.269) 6.607 2.882 ( 3.823 -2.279 3.397) 5.599 2.996 ( -0.565 2.918 -1.521) 3.339 3.028 ( 0.069 0.540 -0.143) 0.562 3.100 ( -1.480 3.307 -1.805) 4.048 3.114 ( -3.445 1.483 -0.109) 3.752 3.149 ( -5.906 -1.334 -0.721) 6.097 3.172 ( -4.592 -2.709 -0.754) 5.384 3.279 ( 0.303 4.546 -1.482) 4.791 3.389 ( 2.323 -6.762 1.258) 7.260 3.553 ( -0.737 2.761 1.186) 3.094 3.583 ( 1.107 -0.252 2.033) 2.329 3.834 ( 5.114 2.015 0.479) 5.517 3.878 ( 4.856 -2.512 -1.105) 5.577 4.593 ( -1.604 0.422 -1.049) 1.962 4.601 ( -1.847 -0.370 -0.659) 1.996 4.698 ( 0.987 0.470 1.397) 1.774 4.711 ( 1.770 -0.915 1.243) 2.348 4.793 ( -2.296 0.367 -0.962) 2.516 4.801 ( -2.085 -0.345 -0.341) 2.140 4.950 ( 1.823 1.088 1.472) 2.583 4.960 ( 2.473 0.296 0.642) 2.572 4.989 ( 0.966 -0.503 -0.827) 1.367 5.004 ( -0.656 -1.780 -1.527) 2.436 5.029 ( 0.749 0.541 -1.916) 2.127 5.047 ( 0.481 -1.063 -1.918) 2.245 5.139 ( -3.018 2.206 -1.448) 4.009 5.161 ( -2.456 -0.609 -1.838) 3.128 5.212 ( -2.831 0.863 -2.156) 3.662 5.232 ( -2.736 -1.168 -2.607) 3.955 5.333 ( -3.199 0.348 -1.129) 3.410 5.339 ( -3.295 -0.263 -2.078) 3.904 5.377 ( -3.753 1.572 -0.070) 4.070 5.409 ( -3.407 -1.699 -0.454) 3.834 5.588 ( 1.149 1.429 2.389) 3.011 5.612 ( 1.434 -0.180 1.466) 2.059 5.756 ( 2.057 1.020 2.572) 3.448 5.786 ( 2.371 -1.826 1.031) 3.165 5.999 ( 5.001 0.421 1.564) 5.257 6.015 ( 4.981 -1.094 1.136) 5.225 6.058 ( 4.094 2.573 5.937) 7.657 6.098 ( 4.280 -1.731 6.828) 8.242 7.510 ( 0.934 0.207 2.955) 3.106 7.513 ( 1.240 -0.143 2.915) 3.171 7.709 ( 3.834 0.828 -1.775) 4.305 7.725 ( 4.065 -0.921 -0.979) 4.281 7.955 ( -2.118 0.332 -0.702) 2.256 7.960 ( -3.359 -0.250 -1.391) 3.644 8.172 ( -3.059 0.564 -1.630) 3.512 8.184 ( -2.281 -0.657 -1.593) 2.859 8.575 ( 1.503 1.115 0.763) 2.021 8.597 ( 2.392 -1.299 1.507) 3.111 8.765 ( -1.253 0.558 1.569) 2.084 8.776 ( -1.115 -0.600 2.828) 3.099 8.837 ( 1.710 1.710 -1.859) 3.050 8.865 ( 0.567 -1.205 -0.552) 1.441 8.933 ( -1.752 0.282 -2.531) 3.092 8.941 ( -2.165 -0.510 -2.383) 3.260 9.021 ( -4.777 1.035 -4.607) 6.717 9.047 ( -3.833 -1.807 -3.886) 5.750 9.135 ( -1.482 2.087 -4.487) 5.165 9.164 ( -1.910 -1.088 -4.270) 4.803 9.247 ( -2.854 1.137 -0.340) 3.091 9.278 ( -2.388 -2.148 -2.075) 3.824 9.364 ( -2.116 2.020 -3.818) 4.810 9.394 ( -1.883 -1.298 -5.554) 6.007 ======================= Grid point 73 (47/50) ======================= q-point: (-0.57 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 3.134 4.053 -5.527) 7.537 1.228 ( -7.604 4.079 0.366) 8.637 1.276 ( 0.757 -0.545 -3.398) 3.523 1.328 ( -7.622 1.966 -2.712) 8.325 1.418 ( -2.794 3.321 1.313) 4.534 1.453 ( 2.953 4.452 -5.632) 7.763 1.557 ( 0.703 0.135 4.992) 5.043 1.568 ( 6.177 -4.993 2.851) 8.438 1.598 ( 0.754 -1.469 3.019) 3.441 1.606 ( 3.848 0.272 1.007) 3.987 1.633 ( -1.600 -4.077 2.873) 5.237 1.669 ( 1.954 -1.150 3.271) 3.980 1.678 ( 0.219 -3.541 3.417) 4.926 1.717 ( 0.210 -4.288 -7.874) 8.969 1.745 ( -2.607 -2.164 -1.684) 3.784 1.793 ( -0.880 -4.172 -2.418) 4.902 1.823 ( -3.732 5.875 -4.252) 8.156 1.872 ( -2.893 1.260 -5.276) 6.148 1.896 ( 0.344 1.423 -0.546) 1.563 1.945 ( -3.179 -3.665 -4.648) 6.718 1.993 ( 1.304 1.872 -1.769) 2.887 2.013 ( -1.349 0.308 -1.060) 1.743 2.054 ( 0.045 0.700 0.410) 0.813 2.092 ( 0.218 -1.723 -1.533) 2.316 2.120 ( 2.705 0.937 4.802) 5.590 2.142 ( -3.111 2.135 0.459) 3.801 2.161 ( 0.812 1.905 -3.397) 3.978 2.209 ( -0.572 -2.708 0.781) 2.876 2.289 ( -1.283 2.581 -0.591) 2.942 2.330 ( -0.938 -0.903 -1.019) 1.653 2.372 ( -0.516 0.018 1.706) 1.783 2.403 ( 0.153 -2.550 -0.824) 2.684 2.471 ( -1.821 2.257 -0.799) 3.008 2.498 ( -2.410 -0.482 -1.741) 3.012 2.591 ( 0.414 0.743 0.761) 1.142 2.627 ( -1.264 -3.191 0.446) 3.461 2.681 ( 5.108 1.244 -4.470) 6.901 2.704 ( -1.745 0.139 -2.638) 3.166 2.733 ( -0.663 0.717 -0.643) 1.169 2.761 ( 4.044 -2.081 -0.891) 4.634 2.770 ( 1.363 3.340 -0.633) 3.662 2.840 ( 0.542 -3.359 -0.331) 3.419 2.900 ( -4.786 1.674 -1.922) 5.422 2.914 ( -6.126 1.889 -0.355) 6.421 2.947 ( -2.734 -1.885 -1.426) 3.614 2.964 ( -2.531 -1.057 -0.821) 2.863 3.038 ( 1.233 -0.219 3.529) 3.744 3.044 ( 0.804 -0.843 1.290) 1.738 3.118 ( 0.713 2.496 0.219) 2.605 3.160 ( 0.291 -2.237 0.339) 2.281 3.314 ( 2.857 6.853 0.521) 7.443 3.384 ( -3.461 2.380 0.382) 4.218 3.567 ( 1.237 -1.872 2.863) 3.638 3.616 ( -0.350 -4.168 1.379) 4.404 3.907 ( 2.340 1.374 0.160) 2.718 3.931 ( 1.821 -1.112 -1.303) 2.500 4.567 ( -0.416 0.365 -0.809) 0.980 4.571 ( -0.694 0.023 -0.800) 1.060 4.709 ( -0.638 -0.118 -0.468) 0.800 4.716 ( -1.066 -0.858 -1.306) 1.891 4.789 ( 0.544 -0.022 2.221) 2.287 4.797 ( 1.904 -0.929 2.271) 3.106 4.964 ( -1.890 0.839 -0.568) 2.145 4.974 ( -0.286 0.093 -1.334) 1.368 4.979 ( 0.199 2.062 1.075) 2.334 5.014 ( 2.043 -0.991 -1.167) 2.553 5.034 ( 1.146 -0.126 -1.044) 1.555 5.046 ( 0.380 -1.514 -0.661) 1.695 5.078 ( -1.746 2.063 -3.231) 4.212 5.115 ( -1.535 -1.924 -3.469) 4.253 5.169 ( -0.574 0.209 -1.250) 1.392 5.176 ( -1.480 -0.440 -0.931) 1.803 5.256 ( -1.912 0.751 0.057) 2.055 5.263 ( -2.917 -0.050 0.587) 2.976 5.362 ( 0.085 0.876 -0.063) 0.882 5.377 ( -0.537 -0.556 -0.795) 1.109 5.625 ( 0.803 1.652 2.088) 2.781 5.643 ( 0.857 0.537 0.891) 1.348 5.804 ( 1.082 0.088 2.210) 2.463 5.831 ( 1.775 -2.244 0.083) 2.863 6.066 ( 0.179 1.011 2.748) 2.934 6.083 ( 2.444 -0.596 0.042) 2.516 6.175 ( 4.125 0.933 3.925) 5.770 6.194 ( 1.260 -0.965 4.827) 5.082 7.566 ( 2.812 0.388 2.883) 4.046 7.573 ( 2.872 -0.399 2.693) 3.957 7.720 ( -0.961 0.672 -2.545) 2.802 7.734 ( -2.119 -0.740 -2.534) 3.385 7.945 ( 2.559 0.953 1.059) 2.929 7.963 ( 3.204 -0.961 1.044) 3.504 8.098 ( -3.183 0.807 -2.601) 4.189 8.115 ( -3.545 -0.971 -2.530) 4.462 8.625 ( 2.228 1.744 2.837) 4.006 8.665 ( 2.244 -2.703 3.367) 4.866 8.765 ( 0.196 0.736 0.447) 0.883 8.778 ( 0.140 -0.536 0.377) 0.670 8.814 ( -2.793 1.466 -1.932) 3.699 8.827 ( -1.894 0.032 -0.121) 1.899 8.897 ( -3.159 0.649 -1.806) 3.697 8.908 ( -2.246 -0.566 0.253) 2.330 8.917 ( -0.307 1.728 -2.980) 3.458 8.967 ( -0.067 -3.558 -5.318) 6.399 9.066 ( -1.934 1.283 -4.196) 4.796 9.078 ( -3.132 -0.267 -4.584) 5.558 9.196 ( -1.642 1.180 -1.192) 2.347 9.223 ( -1.116 -1.599 -3.390) 3.911 9.308 ( -1.106 1.256 -2.333) 2.871 9.327 ( -1.527 -0.750 -3.389) 3.792 ======================= Grid point 74 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -7.108 9.360 3.881) 12.377 1.165 ( -6.598 11.072 4.327) 13.596 1.286 ( 9.227 3.596 -1.592) 10.030 1.317 ( 4.168 4.512 -4.153) 7.414 1.368 ( -2.897 -4.610 1.264) 5.590 1.487 ( 4.606 0.000 -3.967) 6.079 1.519 ( -6.724 -13.963 2.993) 15.784 1.609 ( 1.463 2.389 -0.150) 2.805 1.631 ( 2.756 -1.001 -0.842) 3.051 1.673 ( -1.587 1.887 -3.238) 4.070 1.690 ( 3.715 -9.171 -4.190) 10.745 1.710 ( 4.751 0.802 0.439) 4.838 1.723 ( 3.933 -1.462 -2.532) 4.901 1.765 ( 5.282 -1.872 -4.971) 7.491 1.778 ( 4.108 -0.254 2.210) 4.672 1.800 ( 1.702 1.031 -2.637) 3.303 1.813 ( 6.039 0.694 -1.641) 6.296 1.853 ( 5.904 -2.973 -2.524) 7.076 1.864 ( 2.859 -1.986 -4.946) 6.048 1.884 ( 4.297 -4.061 -5.813) 8.292 1.983 ( -0.613 2.634 -0.638) 2.778 2.018 ( 1.828 1.038 -1.298) 2.470 2.069 ( -0.448 -0.377 0.644) 0.871 2.088 ( 0.416 -0.840 -1.399) 1.684 2.102 ( -0.917 5.486 1.294) 5.710 2.160 ( 1.102 -0.255 -1.135) 1.602 2.223 ( -0.705 1.191 -1.172) 1.814 2.233 ( 1.701 0.889 1.453) 2.407 2.271 ( 0.228 -1.010 -0.233) 1.061 2.277 ( 1.067 -0.856 -0.212) 1.384 2.377 ( -0.603 1.242 1.850) 2.308 2.399 ( -0.887 -0.359 0.255) 0.990 2.434 ( -4.623 2.169 2.981) 5.913 2.466 ( -0.269 -1.356 0.727) 1.562 2.541 ( -8.893 2.521 5.073) 10.544 2.587 ( -5.136 -2.541 3.348) 6.637 2.636 ( -1.710 0.347 1.185) 2.109 2.682 ( -2.906 -4.429 1.460) 5.495 2.717 ( -4.426 0.411 0.840) 4.524 2.739 ( -5.615 -1.831 0.863) 5.969 2.771 ( 1.682 2.591 -0.353) 3.109 2.789 ( -2.236 4.939 3.778) 6.608 2.832 ( 0.484 -3.299 0.794) 3.428 2.868 ( -1.002 -3.115 2.608) 4.184 2.976 ( 1.855 2.335 -1.165) 3.202 2.990 ( 8.025 -0.185 -3.234) 8.654 3.062 ( 0.219 0.616 -0.372) 0.752 3.077 ( 1.562 -0.615 -0.290) 1.704 3.148 ( -0.282 0.682 -1.581) 1.745 3.162 ( 1.674 -0.994 -0.630) 2.047 3.305 ( -4.542 9.136 1.528) 10.316 3.378 ( 2.680 2.672 0.952) 3.902 3.587 ( -3.481 -4.517 1.067) 5.802 3.601 ( -0.455 -4.665 2.746) 5.433 3.916 ( -1.481 0.726 -0.053) 1.650 3.922 ( -1.552 -0.003 -1.165) 1.941 4.564 ( 0.533 0.486 -0.485) 0.869 4.567 ( 0.883 0.101 -0.487) 1.013 4.700 ( 0.318 -0.509 0.191) 0.630 4.704 ( 0.430 -0.826 -0.131) 0.940 4.809 ( -0.821 0.402 1.280) 1.573 4.825 ( -0.303 -1.280 -0.504) 1.408 4.938 ( -0.849 1.458 1.373) 2.175 4.965 ( 0.424 -1.099 -0.670) 1.355 4.986 ( -0.313 2.913 0.820) 3.042 5.017 ( -0.191 1.374 -3.116) 3.411 5.026 ( -1.100 -1.370 0.083) 1.759 5.053 ( 0.037 -1.780 -0.808) 1.955 5.069 ( 1.422 -0.279 -1.516) 2.098 5.077 ( 2.123 -0.920 -0.685) 2.413 5.156 ( 0.239 0.709 0.368) 0.834 5.172 ( 1.071 -0.893 -0.243) 1.416 5.251 ( 1.060 1.821 0.486) 2.162 5.273 ( 2.864 -0.687 -0.287) 2.960 5.363 ( -0.401 0.237 0.153) 0.491 5.364 ( -0.223 0.132 0.277) 0.379 5.638 ( -0.685 2.178 0.785) 2.415 5.659 ( 0.700 0.146 -0.471) 0.856 5.824 ( -0.114 -0.135 0.536) 0.564 5.848 ( 0.781 -2.427 -1.771) 3.104 6.058 ( -2.765 2.078 2.068) 4.030 6.099 ( -0.868 -2.412 -0.149) 2.568 6.219 ( -0.152 2.273 -0.354) 2.306 6.252 ( 2.128 -1.303 -0.552) 2.556 7.623 ( -0.279 0.112 -1.893) 1.917 7.625 ( 0.172 -0.057 -1.505) 1.515 7.688 ( 1.203 0.488 -0.098) 1.302 7.698 ( 2.860 -0.543 0.233) 2.921 7.999 ( -1.780 0.083 -1.620) 2.408 8.003 ( -3.119 -0.405 -4.321) 5.345 8.043 ( 0.965 0.553 1.452) 1.829 8.057 ( 3.187 -0.928 2.800) 4.343 8.686 ( -2.279 1.226 -1.077) 2.803 8.692 ( 1.614 0.561 3.473) 3.871 8.735 ( -0.801 -0.529 0.754) 1.221 8.750 ( -1.478 -1.826 -2.197) 3.217 8.807 ( -0.508 1.492 2.351) 2.831 8.817 ( -0.612 0.763 1.024) 1.416 8.869 ( 1.487 -0.131 1.448) 2.080 8.876 ( 0.758 -0.570 -1.104) 1.456 8.920 ( 1.124 1.173 1.228) 2.037 8.953 ( 2.032 -2.166 -2.320) 3.769 9.007 ( -2.456 0.378 -0.321) 2.506 9.013 ( -1.794 -0.263 -0.198) 1.824 9.191 ( 1.745 0.794 -0.314) 1.943 9.203 ( 1.750 -0.523 -2.038) 2.737 9.291 ( -0.186 0.070 0.139) 0.242 9.291 ( -0.538 -0.007 -0.459) 0.707 ======================= Grid point 75 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.401 7.415 9.501) 13.646 1.179 ( -2.051 -0.063 7.945) 8.206 1.269 ( -5.550 0.658 10.259) 11.683 1.406 ( 5.935 3.675 1.706) 7.186 1.490 ( 4.184 -3.799 5.250) 7.713 1.513 ( 6.332 -0.052 3.350) 7.164 1.575 ( 8.296 -0.529 -4.256) 9.339 1.606 ( -0.092 -0.049 -6.821) 6.821 1.633 ( 2.641 1.246 -6.213) 6.865 1.660 ( 2.598 -0.608 -4.293) 5.055 1.692 ( 1.414 -2.031 -1.884) 3.110 1.737 ( 1.488 -5.299 -2.831) 6.189 1.770 ( 3.799 2.468 -4.181) 6.164 1.815 ( 4.979 -1.148 -7.871) 9.384 1.837 ( 5.410 2.522 -4.290) 7.351 1.872 ( 6.873 -0.200 -5.559) 8.842 1.891 ( 1.228 -1.152 1.124) 2.024 1.929 ( 5.656 -1.772 -0.560) 5.954 1.954 ( 5.618 0.120 0.365) 5.631 1.991 ( 5.700 0.829 -3.842) 6.924 2.039 ( 0.961 0.054 -0.384) 1.036 2.047 ( -0.509 -0.959 -1.485) 1.840 2.054 ( 4.653 -1.746 -1.473) 5.184 2.074 ( -0.175 0.570 1.223) 1.361 2.120 ( 2.177 0.139 0.032) 2.181 2.130 ( -0.947 -0.122 -1.291) 1.606 2.225 ( 4.659 1.080 -0.622) 4.823 2.232 ( -1.279 -0.122 3.046) 3.306 2.284 ( -6.965 1.069 8.638) 11.147 2.314 ( 1.520 1.768 0.204) 2.341 2.354 ( -0.583 0.584 4.674) 4.746 2.365 ( -3.940 -4.028 4.724) 7.352 2.391 ( -0.379 0.156 0.943) 1.028 2.415 ( -5.274 -4.420 3.361) 7.659 2.517 ( -1.403 1.025 1.482) 2.284 2.537 ( 0.721 -0.539 1.748) 1.966 2.604 ( -3.110 1.473 1.836) 3.901 2.638 ( -2.255 -0.651 0.145) 2.352 2.680 ( -1.720 -0.067 2.840) 3.321 2.709 ( -1.401 -1.620 2.393) 3.211 2.761 ( -0.033 1.098 0.993) 1.480 2.781 ( -2.505 0.251 0.347) 2.542 2.876 ( 3.121 2.265 3.969) 5.533 2.914 ( 0.777 -1.108 1.961) 2.383 2.972 ( -2.140 7.755 2.482) 8.419 3.052 ( -1.437 0.592 -5.070) 5.303 3.069 ( 1.134 -0.659 -0.495) 1.402 3.113 ( 2.738 -5.283 2.546) 6.472 3.136 ( 2.618 2.278 -1.555) 3.803 3.181 ( 1.846 -1.575 -1.148) 2.685 3.253 ( -1.999 7.669 1.254) 8.024 3.395 ( -2.772 -6.293 0.621) 6.904 3.546 ( -1.412 1.755 1.822) 2.897 3.591 ( -1.499 -2.106 1.197) 2.848 3.856 ( -3.972 0.197 -1.323) 4.191 3.866 ( -4.108 -0.543 -0.273) 4.153 4.583 ( 1.912 0.695 -0.153) 2.040 4.594 ( 2.256 -0.412 -0.070) 2.295 4.712 ( -0.351 -0.199 0.088) 0.413 4.714 ( -0.205 -0.425 0.747) 0.884 4.792 ( 0.012 0.558 -0.316) 0.641 4.810 ( 0.572 -1.226 -1.087) 1.735 4.938 ( -1.250 1.110 2.451) 2.967 4.960 ( -0.876 -0.958 -0.477) 1.383 4.983 ( -0.880 2.259 1.152) 2.684 4.992 ( -0.614 1.195 -1.383) 1.928 5.013 ( -0.450 -1.586 -0.022) 1.649 5.030 ( -0.911 -2.386 -0.530) 2.608 5.117 ( 3.350 1.023 0.255) 3.512 5.133 ( 3.576 -0.410 0.594) 3.648 5.193 ( 3.387 0.442 0.438) 3.444 5.205 ( 3.054 -0.566 0.396) 3.131 5.298 ( 1.579 1.493 1.797) 2.819 5.316 ( 0.559 -0.564 0.432) 0.904 5.377 ( 3.572 1.325 -0.020) 3.810 5.401 ( 5.124 -1.260 0.420) 5.293 5.620 ( -1.093 2.081 -0.629) 2.433 5.652 ( -0.683 -1.071 -1.946) 2.324 5.808 ( -1.270 0.338 -1.439) 1.949 5.827 ( -0.968 -1.553 -3.612) 4.049 6.002 ( -4.325 2.207 0.262) 4.862 6.049 ( -3.759 -3.084 -1.898) 5.219 6.172 ( -3.165 3.445 -5.044) 6.880 6.220 ( -3.673 -1.954 -5.180) 6.644 7.580 ( -0.577 0.174 -4.059) 4.104 7.583 ( -0.875 -0.160 -4.147) 4.241 7.692 ( -3.326 1.993 -0.043) 3.877 7.735 ( -2.847 -2.518 -1.870) 4.236 7.943 ( 2.209 0.535 -0.211) 2.283 7.951 ( 0.976 -0.341 -0.702) 1.250 8.121 ( 3.409 0.554 3.337) 4.802 8.134 ( 2.329 -0.813 3.163) 4.012 8.603 ( -3.052 1.974 -2.282) 4.292 8.640 ( -4.031 -1.946 -2.784) 5.271 8.770 ( 1.044 0.693 1.271) 1.785 8.779 ( 0.416 0.100 1.246) 1.317 8.828 ( 2.937 0.683 3.530) 4.642 8.853 ( 1.690 -1.125 2.410) 3.151 8.898 ( -1.233 0.230 -0.164) 1.265 8.903 ( 0.280 -0.116 0.069) 0.311 8.947 ( 3.678 0.515 1.902) 4.173 8.961 ( 2.841 -0.480 1.860) 3.430 9.046 ( 3.447 0.458 4.142) 5.408 9.055 ( 2.314 -0.438 6.763) 7.161 9.238 ( 2.840 0.516 0.722) 2.976 9.249 ( 3.275 -0.407 0.187) 3.305 9.302 ( 1.470 0.130 2.366) 2.789 9.308 ( 0.801 -0.411 2.917) 3.053 ======================= Grid point 76 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.921 -1.027 16.040) 16.099 1.120 ( -6.186 -9.470 9.018) 14.467 1.381 ( 0.985 11.607 13.370) 17.733 1.510 ( -1.775 0.434 5.308) 5.613 1.557 ( 2.970 2.508 3.131) 4.991 1.566 ( 2.128 1.230 -4.315) 4.966 1.599 ( -1.677 -0.023 -0.761) 1.842 1.644 ( 1.323 0.998 -0.364) 1.697 1.647 ( 4.121 -1.812 -5.844) 7.377 1.673 ( -2.600 -1.979 2.997) 4.434 1.755 ( 4.605 0.062 -4.949) 6.760 1.777 ( 6.755 -0.184 -0.306) 6.765 1.817 ( 3.539 0.221 -6.005) 6.973 1.845 ( 3.564 -1.337 -2.702) 4.668 1.880 ( 0.878 1.082 -0.038) 1.394 1.888 ( 4.336 2.381 -7.023) 8.590 1.959 ( -1.719 -1.481 -6.883) 7.247 1.961 ( 4.635 -2.300 -8.030) 9.553 1.985 ( 2.199 0.574 -0.821) 2.416 2.014 ( -2.689 1.408 8.522) 9.046 2.030 ( -1.431 -1.118 1.577) 2.405 2.043 ( 3.824 0.429 1.155) 4.017 2.104 ( 2.975 0.410 1.329) 3.284 2.123 ( 4.505 -0.974 2.962) 5.479 2.186 ( 3.110 -0.729 1.672) 3.606 2.198 ( 2.051 -3.585 2.699) 4.934 2.247 ( 1.338 2.535 3.501) 4.525 2.287 ( 0.944 1.072 1.119) 1.814 2.301 ( -0.113 -0.619 2.398) 2.479 2.315 ( 0.432 -0.413 -0.464) 0.757 2.335 ( -1.054 -4.329 5.040) 6.727 2.381 ( -1.184 -3.247 1.569) 3.796 2.435 ( 4.279 1.804 1.752) 4.963 2.456 ( 5.187 -2.037 1.522) 5.776 2.502 ( -0.731 1.392 0.913) 1.818 2.529 ( -2.482 -0.389 2.085) 3.265 2.583 ( 0.238 0.828 1.562) 1.784 2.614 ( -1.242 -0.938 0.349) 1.595 2.679 ( 0.075 1.445 0.999) 1.758 2.687 ( -1.915 1.843 2.124) 3.402 2.746 ( -2.050 1.935 0.931) 2.969 2.762 ( -2.049 -0.440 1.014) 2.328 2.868 ( -2.739 1.372 -8.079) 8.640 2.901 ( -0.973 -1.691 -6.062) 6.368 2.955 ( -1.714 4.445 2.722) 5.486 3.011 ( -0.126 0.577 1.351) 1.474 3.091 ( 0.448 1.873 1.053) 2.195 3.140 ( 0.011 -2.352 3.262) 4.022 3.199 ( 4.111 -0.175 -1.206) 4.288 3.228 ( 2.805 -1.760 -1.448) 3.615 3.259 ( 0.318 0.037 3.625) 3.639 3.322 ( -4.249 -4.236 0.767) 6.048 3.524 ( -0.928 6.605 1.011) 6.746 3.610 ( 1.536 -3.087 1.366) 3.709 3.761 ( -4.476 0.920 -2.565) 5.241 3.785 ( -4.128 -1.461 -0.320) 4.391 4.628 ( 2.889 0.533 0.022) 2.938 4.641 ( 2.691 -0.729 -0.245) 2.799 4.694 ( -0.795 -0.082 -0.359) 0.877 4.696 ( -1.013 -0.241 -0.533) 1.170 4.817 ( 1.285 0.518 0.901) 1.653 4.827 ( 0.846 -0.554 0.182) 1.028 4.911 ( -2.859 0.394 -0.422) 2.917 4.913 ( -2.867 0.271 -1.425) 3.213 4.981 ( 0.594 2.072 0.070) 2.157 4.986 ( 0.166 0.882 1.069) 1.396 5.011 ( -0.361 -1.499 1.696) 2.292 5.032 ( 1.264 -2.244 0.029) 2.575 5.184 ( 3.201 0.929 1.567) 3.683 5.206 ( 3.102 -0.908 1.470) 3.550 5.277 ( 4.962 1.037 1.035) 5.174 5.294 ( 5.138 -0.451 0.373) 5.171 5.316 ( -0.224 0.299 2.399) 2.428 5.327 ( 1.426 -0.545 0.925) 1.784 5.477 ( 4.016 2.228 0.896) 4.679 5.520 ( 5.834 -2.371 -0.985) 6.374 5.602 ( 1.159 0.842 -1.530) 2.096 5.611 ( -0.740 -0.146 -2.027) 2.163 5.755 ( -2.880 0.453 -4.185) 5.101 5.761 ( -2.768 -0.085 -1.999) 3.415 5.908 ( -5.240 0.929 -0.931) 5.403 5.936 ( -5.751 -1.980 -3.803) 7.173 6.035 ( -6.541 2.000 -5.531) 8.796 6.063 ( -7.558 -0.981 -5.306) 9.286 7.535 ( -2.168 0.233 -1.653) 2.736 7.539 ( -2.005 -0.241 -1.606) 2.580 7.615 ( -2.576 1.040 -0.519) 2.826 7.636 ( -3.427 -1.142 -1.331) 3.850 7.998 ( 2.634 1.151 0.902) 3.013 8.020 ( 3.293 -1.199 0.686) 3.571 8.192 ( 1.875 0.348 2.148) 2.872 8.199 ( 2.513 -0.347 1.846) 3.137 8.564 ( -0.191 0.713 -0.602) 0.953 8.577 ( -1.131 -0.645 -0.997) 1.640 8.772 ( -2.081 1.274 1.449) 2.838 8.787 ( -1.066 -0.105 1.634) 1.954 8.822 ( -1.120 -0.366 -2.039) 2.355 8.828 ( 0.406 -0.689 -2.372) 2.503 8.967 ( 3.132 0.261 2.631) 4.098 8.974 ( 3.639 -0.495 1.942) 4.155 9.050 ( 2.423 0.635 5.590) 6.125 9.060 ( 5.045 -0.418 3.791) 6.325 9.133 ( 3.305 0.242 1.535) 3.652 9.138 ( 1.868 -0.228 3.915) 4.344 9.293 ( 1.897 0.636 1.726) 2.643 9.301 ( 1.843 0.131 1.263) 2.238 9.362 ( 2.029 0.872 4.541) 5.049 9.389 ( 4.901 -1.861 2.091) 5.644 =================== 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 3/15876 10.0 326.825 231.954 266.834 0.000 -20.911 0.000 3/15876 20.0 73.615 48.499 61.669 0.000 -1.203 0.000 3/15876 30.0 34.029 21.544 28.303 0.000 -1.010 0.000 3/15876 40.0 21.130 13.096 17.496 0.000 -0.783 0.000 3/15876 50.0 15.024 9.195 12.394 0.000 -0.604 0.000 3/15876 60.0 11.558 7.014 9.507 0.000 -0.478 0.000 3/15876 70.0 9.362 5.646 7.687 0.000 -0.388 0.000 3/15876 80.0 7.862 4.719 6.449 0.000 -0.323 0.000 3/15876 90.0 6.779 4.053 5.559 0.000 -0.274 0.000 3/15876 100.0 5.962 3.554 4.890 0.000 -0.236 0.000 3/15876 110.0 5.325 3.166 4.369 0.000 -0.206 0.000 3/15876 120.0 4.814 2.856 3.952 0.000 -0.182 0.000 3/15876 130.0 4.396 2.603 3.611 0.000 -0.162 0.000 3/15876 140.0 4.046 2.392 3.326 0.000 -0.146 0.000 3/15876 150.0 3.750 2.214 3.084 0.000 -0.133 0.000 3/15876 160.0 3.495 2.061 2.877 0.000 -0.121 0.000 3/15876 170.0 3.273 1.929 2.696 0.000 -0.112 0.000 3/15876 180.0 3.079 1.813 2.538 0.000 -0.103 0.000 3/15876 190.0 2.907 1.710 2.397 0.000 -0.096 0.000 3/15876 200.0 2.754 1.619 2.272 0.000 -0.090 0.000 3/15876 210.0 2.616 1.537 2.159 0.000 -0.084 0.000 3/15876 220.0 2.492 1.463 2.058 0.000 -0.079 0.000 3/15876 230.0 2.379 1.396 1.966 0.000 -0.075 0.000 3/15876 240.0 2.277 1.336 1.881 0.000 -0.071 0.000 3/15876 250.0 2.183 1.280 1.804 0.000 -0.068 0.000 3/15876 260.0 2.096 1.229 1.733 0.000 -0.064 0.000 3/15876 270.0 2.016 1.182 1.668 0.000 -0.061 0.000 3/15876 280.0 1.942 1.138 1.607 0.000 -0.059 0.000 3/15876 290.0 1.874 1.097 1.551 0.000 -0.056 0.000 3/15876 300.0 1.810 1.060 1.498 0.000 -0.054 0.000 3/15876 310.0 1.750 1.025 1.449 0.000 -0.052 0.000 3/15876 320.0 1.695 0.992 1.403 0.000 -0.050 0.000 3/15876 330.0 1.642 0.961 1.360 0.000 -0.048 0.000 3/15876 340.0 1.593 0.932 1.320 0.000 -0.047 0.000 3/15876 350.0 1.547 0.905 1.282 0.000 -0.045 0.000 3/15876 360.0 1.503 0.879 1.246 0.000 -0.044 0.000 3/15876 370.0 1.462 0.855 1.212 0.000 -0.042 0.000 3/15876 380.0 1.423 0.832 1.180 0.000 -0.041 0.000 3/15876 390.0 1.386 0.811 1.149 0.000 -0.040 0.000 3/15876 400.0 1.351 0.790 1.120 0.000 -0.039 0.000 3/15876 410.0 1.318 0.771 1.093 0.000 -0.038 0.000 3/15876 420.0 1.286 0.752 1.067 0.000 -0.037 0.000 3/15876 430.0 1.256 0.734 1.042 0.000 -0.036 0.000 3/15876 440.0 1.227 0.717 1.018 0.000 -0.035 0.000 3/15876 450.0 1.200 0.701 0.995 0.000 -0.034 0.000 3/15876 460.0 1.174 0.686 0.973 0.000 -0.033 0.000 3/15876 470.0 1.149 0.671 0.953 0.000 -0.032 0.000 3/15876 480.0 1.124 0.657 0.933 0.000 -0.032 0.000 3/15876 490.0 1.101 0.643 0.914 0.000 -0.031 0.000 3/15876 500.0 1.079 0.630 0.895 0.000 -0.030 0.000 3/15876 510.0 1.058 0.618 0.878 0.000 -0.030 0.000 3/15876 520.0 1.037 0.606 0.861 0.000 -0.029 0.000 3/15876 530.0 1.018 0.594 0.844 0.000 -0.029 0.000 3/15876 540.0 0.999 0.583 0.829 0.000 -0.028 0.000 3/15876 550.0 0.981 0.573 0.814 0.000 -0.027 0.000 3/15876 560.0 0.963 0.562 0.799 0.000 -0.027 0.000 3/15876 570.0 0.946 0.552 0.785 0.000 -0.026 0.000 3/15876 580.0 0.930 0.543 0.771 0.000 -0.026 0.000 3/15876 590.0 0.914 0.534 0.758 0.000 -0.025 0.000 3/15876 600.0 0.899 0.525 0.746 0.000 -0.025 0.000 3/15876 610.0 0.884 0.516 0.733 0.000 -0.025 0.000 3/15876 620.0 0.869 0.508 0.722 0.000 -0.024 0.000 3/15876 630.0 0.856 0.500 0.710 0.000 -0.024 0.000 3/15876 640.0 0.842 0.492 0.699 0.000 -0.023 0.000 3/15876 650.0 0.829 0.484 0.688 0.000 -0.023 0.000 3/15876 660.0 0.817 0.477 0.678 0.000 -0.023 0.000 3/15876 670.0 0.804 0.470 0.668 0.000 -0.022 0.000 3/15876 680.0 0.793 0.463 0.658 0.000 -0.022 0.000 3/15876 690.0 0.781 0.456 0.648 0.000 -0.022 0.000 3/15876 700.0 0.770 0.449 0.639 0.000 -0.021 0.000 3/15876 710.0 0.759 0.443 0.630 0.000 -0.021 0.000 3/15876 720.0 0.748 0.437 0.621 0.000 -0.021 0.000 3/15876 730.0 0.738 0.431 0.613 0.000 -0.020 0.000 3/15876 740.0 0.728 0.425 0.604 0.000 -0.020 0.000 3/15876 750.0 0.718 0.419 0.596 0.000 -0.020 0.000 3/15876 760.0 0.709 0.414 0.589 0.000 -0.020 0.000 3/15876 770.0 0.700 0.408 0.581 0.000 -0.019 0.000 3/15876 780.0 0.691 0.403 0.573 0.000 -0.019 0.000 3/15876 790.0 0.682 0.398 0.566 0.000 -0.019 0.000 3/15876 800.0 0.673 0.393 0.559 0.000 -0.019 0.000 3/15876 810.0 0.665 0.388 0.552 0.000 -0.018 0.000 3/15876 820.0 0.657 0.383 0.546 0.000 -0.018 0.000 3/15876 830.0 0.649 0.379 0.539 0.000 -0.018 0.000 3/15876 840.0 0.641 0.374 0.533 0.000 -0.018 0.000 3/15876 850.0 0.634 0.370 0.526 0.000 -0.017 0.000 3/15876 860.0 0.626 0.366 0.520 0.000 -0.017 0.000 3/15876 870.0 0.619 0.361 0.514 0.000 -0.017 0.000 3/15876 880.0 0.612 0.357 0.508 0.000 -0.017 0.000 3/15876 890.0 0.605 0.353 0.503 0.000 -0.017 0.000 3/15876 900.0 0.599 0.349 0.497 0.000 -0.016 0.000 3/15876 910.0 0.592 0.345 0.492 0.000 -0.016 0.000 3/15876 920.0 0.586 0.342 0.486 0.000 -0.016 0.000 3/15876 930.0 0.579 0.338 0.481 0.000 -0.016 0.000 3/15876 940.0 0.573 0.334 0.476 0.000 -0.016 0.000 3/15876 950.0 0.567 0.331 0.471 0.000 -0.016 0.000 3/15876 960.0 0.561 0.327 0.466 0.000 -0.015 0.000 3/15876 970.0 0.555 0.324 0.461 0.000 -0.015 0.000 3/15876 980.0 0.550 0.321 0.456 0.000 -0.015 0.000 3/15876 990.0 0.544 0.317 0.452 0.000 -0.015 0.000 3/15876 1000.0 0.539 0.314 0.447 0.000 -0.015 0.000 3/15876 Thermal conductivity related properties were written into "kappa-m737.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:30:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|