----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:46:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.717355050004891 0.000000000000000 0.000000000000000 b 0.000000000000000 5.328618989999999 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): *1 B 0.66015944556767 0.54561953407398 0.08376429827817 10.811 2 B 0.33984055443233 0.04561953407398 0.41623570172183 10.811 3 B 0.33984055443233 0.45438046592602 0.91623570172183 10.811 4 B 0.66015944556767 0.95438046592602 0.58376429827817 10.811 *5 B 0.84045015862694 0.42977145002459 0.90434141111184 10.811 6 B 0.15954984137306 0.92977145002460 0.59565858888816 10.811 7 B 0.15954984137306 0.57022854997540 0.09565858888816 10.811 8 B 0.84045015862694 0.07022854997540 0.40434141111184 10.811 *9 O 0.14296980792511 0.15456480254268 0.64764756937900 15.999 10 O 0.85703019207488 0.65456480254268 0.85235243062100 15.999 11 O 0.85703019207488 0.84543519745732 0.35235243062100 15.999 12 O 0.14296980792511 0.34543519745732 0.14764756937900 15.999 *13 O 0.89275304432299 0.21091122642407 0.85661394803868 15.999 14 O 0.10724695567701 0.71091122642407 0.64338605196132 15.999 15 O 0.10724695567701 0.78908877357593 0.14338605196132 15.999 16 O 0.89275304432299 0.28908877357593 0.35661394803868 15.999 *17 O 0.59821440685921 0.09635501211756 0.66883555482996 15.999 18 O 0.40178559314079 0.59635501211756 0.83116444517004 15.999 19 O 0.40178559314079 0.90364498788244 0.33116444517004 15.999 20 O 0.59821440685921 0.40364498788244 0.16883555482996 15.999 *21 O 0.64580792379273 0.70062668087373 0.57146495727116 15.999 22 O 0.35419207620727 0.20062668087373 0.92853504272884 15.999 23 O 0.35419207620727 0.29937331912627 0.42853504272884 15.999 24 O 0.64580792379273 0.79937331912627 0.07146495727117 15.999 *25 O 0.75361861831672 0.10506216982526 0.50614443276470 15.999 26 O 0.24638138168328 0.60506216982526 0.99385556723530 15.999 27 O 0.24638138168328 0.89493783017474 0.49385556723530 15.999 28 O 0.75361861831672 0.39493783017474 0.00614443276470 15.999 *29 Sr 0.38146928422440 0.04679096359028 0.13214675292701 87.620 30 Sr 0.61853071577560 0.54679096359028 0.36785324707299 87.620 31 Sr 0.61853071577560 0.95320903640972 0.86785324707299 87.620 32 Sr 0.38146928422440 0.45320903640972 0.63214675292701 87.620 *33 Sr 0.87563315024782 0.08909572488458 0.16114598082430 87.620 34 Sr 0.12436684975218 0.58909572488458 0.33885401917570 87.620 35 Sr 0.12436684975218 0.91090427511542 0.83885401917570 87.620 36 Sr 0.87563315024782 0.41090427511542 0.66114598082430 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.717355050004891 0.000000000000000 0.000000000000000 b 0.000000000000000 5.328618989999999 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): *1 B 0.66015944556767 0.54561953407398 0.08376429827817 10.811 > 1 2 B 0.33984055443233 0.04561953407398 0.41623570172183 10.811 > 2 3 B 0.33984055443233 0.45438046592602 0.91623570172183 10.811 > 3 4 B 0.66015944556767 0.95438046592602 0.58376429827817 10.811 > 4 *5 B 0.84045015862694 0.42977145002459 0.90434141111184 10.811 > 5 6 B 0.15954984137306 0.92977145002460 0.59565858888816 10.811 > 6 7 B 0.15954984137306 0.57022854997540 0.09565858888816 10.811 > 7 8 B 0.84045015862694 0.07022854997540 0.40434141111184 10.811 > 8 *9 O 0.14296980792511 0.15456480254268 0.64764756937900 15.999 > 9 10 O 0.85703019207488 0.65456480254268 0.85235243062100 15.999 > 10 11 O 0.85703019207488 0.84543519745732 0.35235243062100 15.999 > 11 12 O 0.14296980792511 0.34543519745732 0.14764756937900 15.999 > 12 *13 O 0.89275304432299 0.21091122642407 0.85661394803868 15.999 > 13 14 O 0.10724695567701 0.71091122642407 0.64338605196132 15.999 > 14 15 O 0.10724695567701 0.78908877357593 0.14338605196132 15.999 > 15 16 O 0.89275304432299 0.28908877357593 0.35661394803868 15.999 > 16 *17 O 0.59821440685921 0.09635501211756 0.66883555482996 15.999 > 17 18 O 0.40178559314079 0.59635501211756 0.83116444517004 15.999 > 18 19 O 0.40178559314079 0.90364498788244 0.33116444517004 15.999 > 19 20 O 0.59821440685921 0.40364498788244 0.16883555482996 15.999 > 20 *21 O 0.64580792379273 0.70062668087373 0.57146495727116 15.999 > 21 22 O 0.35419207620727 0.20062668087373 0.92853504272884 15.999 > 22 23 O 0.35419207620727 0.29937331912627 0.42853504272884 15.999 > 23 24 O 0.64580792379273 0.79937331912627 0.07146495727117 15.999 > 24 *25 O 0.75361861831672 0.10506216982526 0.50614443276470 15.999 > 25 26 O 0.24638138168328 0.60506216982526 0.99385556723530 15.999 > 26 27 O 0.24638138168328 0.89493783017474 0.49385556723530 15.999 > 27 28 O 0.75361861831672 0.39493783017474 0.00614443276470 15.999 > 28 *29 Sr 0.38146928422440 0.04679096359028 0.13214675292701 87.620 > 29 30 Sr 0.61853071577560 0.54679096359028 0.36785324707299 87.620 > 30 31 Sr 0.61853071577560 0.95320903640972 0.86785324707299 87.620 > 31 32 Sr 0.38146928422440 0.45320903640972 0.63214675292701 87.620 > 32 *33 Sr 0.87563315024782 0.08909572488458 0.16114598082430 87.620 > 33 34 Sr 0.12436684975218 0.58909572488458 0.33885401917570 87.620 > 34 35 Sr 0.12436684975218 0.91090427511542 0.83885401917570 87.620 > 35 36 Sr 0.87563315024782 0.41090427511542 0.66114598082430 87.620 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.434710100009783 0.000000000000000 0.000000000000000 b 0.000000000000000 10.657237979999998 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): *1 B 0.33007972278383 0.27280976703699 0.08376429827817 10.811 > 1 2 B 0.83007972278383 0.27280976703699 0.08376429827817 10.811 > 1 3 B 0.33007972278383 0.77280976703699 0.08376429827817 10.811 > 1 4 B 0.83007972278383 0.77280976703699 0.08376429827817 10.811 > 1 5 B 0.16992027721617 0.02280976703699 0.41623570172183 10.811 > 2 6 B 0.66992027721617 0.02280976703699 0.41623570172183 10.811 > 2 7 B 0.16992027721617 0.52280976703699 0.41623570172183 10.811 > 2 8 B 0.66992027721617 0.52280976703699 0.41623570172183 10.811 > 2 9 B 0.16992027721617 0.22719023296301 0.91623570172183 10.811 > 3 10 B 0.66992027721617 0.22719023296301 0.91623570172183 10.811 > 3 11 B 0.16992027721617 0.72719023296301 0.91623570172183 10.811 > 3 12 B 0.66992027721617 0.72719023296301 0.91623570172183 10.811 > 3 13 B 0.33007972278383 0.47719023296301 0.58376429827817 10.811 > 4 14 B 0.83007972278383 0.47719023296301 0.58376429827817 10.811 > 4 15 B 0.33007972278383 0.97719023296301 0.58376429827817 10.811 > 4 16 B 0.83007972278383 0.97719023296301 0.58376429827817 10.811 > 4 *17 B 0.42022507931347 0.21488572501230 0.90434141111184 10.811 > 5 18 B 0.92022507931347 0.21488572501230 0.90434141111184 10.811 > 5 19 B 0.42022507931347 0.71488572501230 0.90434141111184 10.811 > 5 20 B 0.92022507931347 0.71488572501230 0.90434141111184 10.811 > 5 21 B 0.07977492068653 0.46488572501230 0.59565858888816 10.811 > 6 22 B 0.57977492068653 0.46488572501230 0.59565858888816 10.811 > 6 23 B 0.07977492068653 0.96488572501230 0.59565858888816 10.811 > 6 24 B 0.57977492068653 0.96488572501230 0.59565858888816 10.811 > 6 25 B 0.07977492068653 0.28511427498770 0.09565858888816 10.811 > 7 26 B 0.57977492068653 0.28511427498770 0.09565858888816 10.811 > 7 27 B 0.07977492068653 0.78511427498770 0.09565858888816 10.811 > 7 28 B 0.57977492068653 0.78511427498770 0.09565858888816 10.811 > 7 29 B 0.42022507931347 0.03511427498770 0.40434141111184 10.811 > 8 30 B 0.92022507931347 0.03511427498770 0.40434141111184 10.811 > 8 31 B 0.42022507931347 0.53511427498770 0.40434141111184 10.811 > 8 32 B 0.92022507931347 0.53511427498770 0.40434141111184 10.811 > 8 *33 O 0.07148490396256 0.07728240127134 0.64764756937900 15.999 > 9 34 O 0.57148490396256 0.07728240127134 0.64764756937900 15.999 > 9 35 O 0.07148490396256 0.57728240127134 0.64764756937900 15.999 > 9 36 O 0.57148490396256 0.57728240127134 0.64764756937900 15.999 > 9 37 O 0.42851509603744 0.32728240127134 0.85235243062100 15.999 > 10 38 O 0.92851509603744 0.32728240127134 0.85235243062100 15.999 > 10 39 O 0.42851509603744 0.82728240127134 0.85235243062100 15.999 > 10 40 O 0.92851509603744 0.82728240127134 0.85235243062100 15.999 > 10 41 O 0.42851509603744 0.42271759872866 0.35235243062100 15.999 > 11 42 O 0.92851509603744 0.42271759872866 0.35235243062100 15.999 > 11 43 O 0.42851509603744 0.92271759872866 0.35235243062100 15.999 > 11 44 O 0.92851509603744 0.92271759872866 0.35235243062100 15.999 > 11 45 O 0.07148490396256 0.17271759872866 0.14764756937900 15.999 > 12 46 O 0.57148490396256 0.17271759872866 0.14764756937900 15.999 > 12 47 O 0.07148490396256 0.67271759872866 0.14764756937900 15.999 > 12 48 O 0.57148490396256 0.67271759872866 0.14764756937900 15.999 > 12 *49 O 0.44637652216149 0.10545561321203 0.85661394803868 15.999 > 13 50 O 0.94637652216150 0.10545561321203 0.85661394803868 15.999 > 13 51 O 0.44637652216149 0.60545561321203 0.85661394803868 15.999 > 13 52 O 0.94637652216150 0.60545561321203 0.85661394803868 15.999 > 13 53 O 0.05362347783850 0.35545561321203 0.64338605196132 15.999 > 14 54 O 0.55362347783850 0.35545561321203 0.64338605196132 15.999 > 14 55 O 0.05362347783850 0.85545561321203 0.64338605196132 15.999 > 14 56 O 0.55362347783850 0.85545561321203 0.64338605196132 15.999 > 14 57 O 0.05362347783850 0.39454438678797 0.14338605196132 15.999 > 15 58 O 0.55362347783850 0.39454438678797 0.14338605196132 15.999 > 15 59 O 0.05362347783850 0.89454438678797 0.14338605196132 15.999 > 15 60 O 0.55362347783850 0.89454438678797 0.14338605196132 15.999 > 15 61 O 0.44637652216149 0.14454438678797 0.35661394803868 15.999 > 16 62 O 0.94637652216150 0.14454438678797 0.35661394803868 15.999 > 16 63 O 0.44637652216149 0.64454438678797 0.35661394803868 15.999 > 16 64 O 0.94637652216150 0.64454438678797 0.35661394803868 15.999 > 16 *65 O 0.29910720342960 0.04817750605878 0.66883555482996 15.999 > 17 66 O 0.79910720342960 0.04817750605878 0.66883555482996 15.999 > 17 67 O 0.29910720342960 0.54817750605878 0.66883555482996 15.999 > 17 68 O 0.79910720342960 0.54817750605878 0.66883555482996 15.999 > 17 69 O 0.20089279657040 0.29817750605878 0.83116444517004 15.999 > 18 70 O 0.70089279657040 0.29817750605878 0.83116444517004 15.999 > 18 71 O 0.20089279657040 0.79817750605878 0.83116444517004 15.999 > 18 72 O 0.70089279657040 0.79817750605878 0.83116444517004 15.999 > 18 73 O 0.20089279657040 0.45182249394122 0.33116444517004 15.999 > 19 74 O 0.70089279657040 0.45182249394122 0.33116444517004 15.999 > 19 75 O 0.20089279657040 0.95182249394122 0.33116444517004 15.999 > 19 76 O 0.70089279657040 0.95182249394122 0.33116444517004 15.999 > 19 77 O 0.29910720342960 0.20182249394122 0.16883555482996 15.999 > 20 78 O 0.79910720342960 0.20182249394122 0.16883555482996 15.999 > 20 79 O 0.29910720342960 0.70182249394122 0.16883555482996 15.999 > 20 80 O 0.79910720342960 0.70182249394122 0.16883555482996 15.999 > 20 *81 O 0.32290396189636 0.35031334043686 0.57146495727116 15.999 > 21 82 O 0.82290396189636 0.35031334043686 0.57146495727116 15.999 > 21 83 O 0.32290396189636 0.85031334043686 0.57146495727116 15.999 > 21 84 O 0.82290396189636 0.85031334043686 0.57146495727116 15.999 > 21 85 O 0.17709603810364 0.10031334043686 0.92853504272884 15.999 > 22 86 O 0.67709603810364 0.10031334043686 0.92853504272884 15.999 > 22 87 O 0.17709603810364 0.60031334043686 0.92853504272884 15.999 > 22 88 O 0.67709603810364 0.60031334043686 0.92853504272884 15.999 > 22 89 O 0.17709603810364 0.14968665956314 0.42853504272884 15.999 > 23 90 O 0.67709603810364 0.14968665956314 0.42853504272884 15.999 > 23 91 O 0.17709603810364 0.64968665956314 0.42853504272884 15.999 > 23 92 O 0.67709603810364 0.64968665956314 0.42853504272884 15.999 > 23 93 O 0.32290396189636 0.39968665956314 0.07146495727117 15.999 > 24 94 O 0.82290396189636 0.39968665956314 0.07146495727117 15.999 > 24 95 O 0.32290396189636 0.89968665956314 0.07146495727117 15.999 > 24 96 O 0.82290396189636 0.89968665956314 0.07146495727117 15.999 > 24 *97 O 0.37680930915836 0.05253108491263 0.50614443276470 15.999 > 25 98 O 0.87680930915836 0.05253108491263 0.50614443276470 15.999 > 25 99 O 0.37680930915836 0.55253108491263 0.50614443276470 15.999 > 25 100 O 0.87680930915836 0.55253108491263 0.50614443276470 15.999 > 25 101 O 0.12319069084164 0.30253108491263 0.99385556723530 15.999 > 26 102 O 0.62319069084164 0.30253108491263 0.99385556723530 15.999 > 26 103 O 0.12319069084164 0.80253108491263 0.99385556723530 15.999 > 26 104 O 0.62319069084164 0.80253108491263 0.99385556723530 15.999 > 26 105 O 0.12319069084164 0.44746891508737 0.49385556723530 15.999 > 27 106 O 0.62319069084164 0.44746891508737 0.49385556723530 15.999 > 27 107 O 0.12319069084164 0.94746891508737 0.49385556723530 15.999 > 27 108 O 0.62319069084164 0.94746891508737 0.49385556723530 15.999 > 27 109 O 0.37680930915836 0.19746891508737 0.00614443276470 15.999 > 28 110 O 0.87680930915836 0.19746891508737 0.00614443276470 15.999 > 28 111 O 0.37680930915836 0.69746891508737 0.00614443276470 15.999 > 28 112 O 0.87680930915836 0.69746891508737 0.00614443276470 15.999 > 28 *113 Sr 0.19073464211220 0.02339548179514 0.13214675292701 87.620 > 29 114 Sr 0.69073464211220 0.02339548179514 0.13214675292701 87.620 > 29 115 Sr 0.19073464211220 0.52339548179514 0.13214675292701 87.620 > 29 116 Sr 0.69073464211220 0.52339548179514 0.13214675292701 87.620 > 29 117 Sr 0.30926535788780 0.27339548179514 0.36785324707299 87.620 > 30 118 Sr 0.80926535788780 0.27339548179514 0.36785324707299 87.620 > 30 119 Sr 0.30926535788780 0.77339548179514 0.36785324707299 87.620 > 30 120 Sr 0.80926535788780 0.77339548179514 0.36785324707299 87.620 > 30 121 Sr 0.30926535788780 0.47660451820486 0.86785324707299 87.620 > 31 122 Sr 0.80926535788780 0.47660451820486 0.86785324707299 87.620 > 31 123 Sr 0.30926535788780 0.97660451820486 0.86785324707299 87.620 > 31 124 Sr 0.80926535788780 0.97660451820486 0.86785324707299 87.620 > 31 125 Sr 0.19073464211220 0.22660451820486 0.63214675292701 87.620 > 32 126 Sr 0.69073464211220 0.22660451820486 0.63214675292701 87.620 > 32 127 Sr 0.19073464211220 0.72660451820486 0.63214675292701 87.620 > 32 128 Sr 0.69073464211220 0.72660451820486 0.63214675292701 87.620 > 32 *129 Sr 0.43781657512391 0.04454786244229 0.16114598082430 87.620 > 33 130 Sr 0.93781657512391 0.04454786244229 0.16114598082430 87.620 > 33 131 Sr 0.43781657512391 0.54454786244229 0.16114598082430 87.620 > 33 132 Sr 0.93781657512391 0.54454786244229 0.16114598082430 87.620 > 33 133 Sr 0.06218342487609 0.29454786244229 0.33885401917570 87.620 > 34 134 Sr 0.56218342487609 0.29454786244229 0.33885401917570 87.620 > 34 135 Sr 0.06218342487609 0.79454786244229 0.33885401917570 87.620 > 34 136 Sr 0.56218342487609 0.79454786244229 0.33885401917570 87.620 > 34 137 Sr 0.06218342487609 0.45545213755771 0.83885401917570 87.620 > 35 138 Sr 0.56218342487609 0.45545213755771 0.83885401917570 87.620 > 35 139 Sr 0.06218342487609 0.95545213755771 0.83885401917570 87.620 > 35 140 Sr 0.56218342487609 0.95545213755771 0.83885401917570 87.620 > 35 141 Sr 0.43781657512391 0.20545213755771 0.66114598082430 87.620 > 36 142 Sr 0.93781657512391 0.20545213755771 0.66114598082430 87.620 > 36 143 Sr 0.43781657512391 0.70545213755771 0.66114598082430 87.620 > 36 144 Sr 0.93781657512391 0.70545213755771 0.66114598082430 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7847396 0.0000000 -0.1531143 0.0000000 3.0485855 0.0000000 -0.1531138 0.0000000 2.9260746 -------------------------- Born effective charges -------------------------- 1 B 1.2319466 -0.2509714 -0.9295357 -0.1837592 2.8193920 -0.3201722 -0.9850072 -0.1958785 2.0617343 2 B 1.2319466 0.2509714 -0.9295357 0.1837592 2.8193920 0.3201722 -0.9850072 0.1958785 2.0617343 3 B 1.2319466 -0.2509714 -0.9295357 -0.1837592 2.8193920 -0.3201722 -0.9850072 -0.1958785 2.0617343 4 B 1.2319466 0.2509714 -0.9295357 0.1837592 2.8193920 0.3201722 -0.9850072 0.1958785 2.0617343 5 B 1.1080777 -0.1332870 -0.9523403 -0.2423981 2.6762028 -0.0065346 -0.9779486 -0.1617353 2.2236768 6 B 1.1080777 0.1332870 -0.9523403 0.2423981 2.6762028 0.0065346 -0.9779486 0.1617353 2.2236768 7 B 1.1080777 -0.1332870 -0.9523403 -0.2423981 2.6762028 -0.0065346 -0.9779486 -0.1617353 2.2236768 8 B 1.1080777 0.1332870 -0.9523403 0.2423981 2.6762028 0.0065346 -0.9779486 0.1617353 2.2236768 9 O -1.4844008 0.0592677 0.2470802 0.0626940 -2.3371260 -0.2684283 0.2444281 -0.3194711 -1.5215309 10 O -1.4844008 -0.0592677 0.2470802 -0.0626940 -2.3371260 0.2684283 0.2444281 0.3194711 -1.5215309 11 O -1.4844008 0.0592677 0.2470802 0.0626940 -2.3371260 -0.2684283 0.2444281 -0.3194711 -1.5215309 12 O -1.4844008 -0.0592677 0.2470802 -0.0626940 -2.3371260 0.2684283 0.2444281 0.3194711 -1.5215309 13 O -1.5676334 0.3692777 0.2872873 0.3748905 -2.3319034 -0.2479577 0.2887964 -0.2861626 -1.6040003 14 O -1.5676334 -0.3692777 0.2872873 -0.3748905 -2.3319034 0.2479577 0.2887964 0.2861626 -1.6040003 15 O -1.5676334 0.3692777 0.2872873 0.3748905 -2.3319034 -0.2479577 0.2887964 -0.2861626 -1.6040003 16 O -1.5676334 -0.3692777 0.2872873 -0.3748905 -2.3319034 0.2479577 0.2887964 0.2861626 -1.6040003 17 O -1.5100251 0.2526669 0.3287730 0.2212290 -1.8271891 -0.3239615 0.3549694 -0.3411400 -2.1181339 18 O -1.5100251 -0.2526669 0.3287730 -0.2212290 -1.8271891 0.3239615 0.3549694 0.3411400 -2.1181339 19 O -1.5100251 0.2526669 0.3287730 0.2212290 -1.8271891 -0.3239615 0.3549694 -0.3411400 -2.1181339 20 O -1.5100251 -0.2526669 0.3287730 -0.2212290 -1.8271891 0.3239615 0.3549694 0.3411400 -2.1181339 21 O -1.3642317 -0.1184370 0.0348493 -0.1002789 -2.5634927 -0.0661580 0.0377914 -0.0933517 -1.4929775 22 O -1.3642317 0.1184370 0.0348493 0.1002789 -2.5634927 0.0661580 0.0377914 0.0933517 -1.4929775 23 O -1.3642317 -0.1184370 0.0348493 -0.1002789 -2.5634927 -0.0661580 0.0377914 -0.0933517 -1.4929775 24 O -1.3642317 0.1184370 0.0348493 0.1002789 -2.5634927 0.0661580 0.0377914 0.0933517 -1.4929775 25 O -1.3835607 -0.2970093 0.9424049 -0.3366308 -1.4551976 0.2183864 0.9806299 0.1693264 -2.3427444 26 O -1.3835607 0.2970093 0.9424049 0.3366308 -1.4551976 -0.2183864 0.9806299 -0.1693264 -2.3427444 27 O -1.3835607 -0.2970093 0.9424049 -0.3366308 -1.4551976 0.2183864 0.9806299 0.1693264 -2.3427444 28 O -1.3835607 0.2970093 0.9424049 0.3366308 -1.4551976 -0.2183864 0.9806299 -0.1693264 -2.3427444 29 Sr 2.4882769 0.0394956 -0.0513057 -0.0052066 2.5040104 -0.0547772 -0.0433747 -0.1523607 2.4217243 30 Sr 2.4882769 -0.0394956 -0.0513057 0.0052066 2.5040104 0.0547772 -0.0433747 0.1523607 2.4217243 31 Sr 2.4882769 0.0394956 -0.0513057 -0.0052066 2.5040104 -0.0547772 -0.0433747 -0.1523607 2.4217243 32 Sr 2.4882769 -0.0394956 -0.0513057 0.0052066 2.5040104 0.0547772 -0.0433747 0.1523607 2.4217243 33 Sr 2.4815505 -0.0818295 0.0927870 -0.0542209 2.5153037 -0.0182756 0.0997153 -0.0504420 2.3722516 34 Sr 2.4815505 0.0818295 0.0927870 0.0542209 2.5153037 0.0182756 0.0997153 0.0504420 2.3722516 35 Sr 2.4815505 -0.0818295 0.0927870 -0.0542209 2.5153037 -0.0182756 0.0997153 -0.0504420 2.3722516 36 Sr 2.4815505 0.0818295 0.0927870 0.0542209 2.5153037 0.0182756 0.0997153 0.0504420 2.3722516 ---------------------------------------------------------------------------- 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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: 1.979 Solver_block: 200 / 1120 - Time: 1.774 Solver_block: 300 / 1120 - Time: 1.778 Solver_block: 400 / 1120 - Time: 1.782 Solver_block: 500 / 1120 - Time: 1.779 Solver_block: 600 / 1120 - Time: 1.782 Solver_block: 700 / 1120 - Time: 1.777 Solver_block: 800 / 1120 - Time: 1.787 Solver_block: 900 / 1120 - Time: 1.782 Solver_block: 1000 / 1120 - Time: 1.779 Solver_block: 1100 / 1120 - Time: 1.780 Solver_block: 1120 / 1120 - Time: 0.509 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.797 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:47:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:47:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.717355050004891 0.000000000000000 0.000000000000000 b 0.000000000000000 5.328618989999999 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): 1 B 0.66015944556767 0.54561953407398 0.08376429827817 10.811 2 B 0.33984055443233 0.04561953407398 0.41623570172183 10.811 3 B 0.33984055443233 0.45438046592602 0.91623570172183 10.811 4 B 0.66015944556767 0.95438046592602 0.58376429827817 10.811 5 B 0.84045015862694 0.42977145002459 0.90434141111184 10.811 6 B 0.15954984137306 0.92977145002460 0.59565858888816 10.811 7 B 0.15954984137306 0.57022854997540 0.09565858888816 10.811 8 B 0.84045015862694 0.07022854997540 0.40434141111184 10.811 9 O 0.14296980792511 0.15456480254268 0.64764756937900 15.999 10 O 0.85703019207488 0.65456480254268 0.85235243062100 15.999 11 O 0.85703019207488 0.84543519745732 0.35235243062100 15.999 12 O 0.14296980792511 0.34543519745732 0.14764756937900 15.999 13 O 0.89275304432299 0.21091122642407 0.85661394803868 15.999 14 O 0.10724695567701 0.71091122642407 0.64338605196132 15.999 15 O 0.10724695567701 0.78908877357593 0.14338605196132 15.999 16 O 0.89275304432299 0.28908877357593 0.35661394803868 15.999 17 O 0.59821440685921 0.09635501211756 0.66883555482996 15.999 18 O 0.40178559314079 0.59635501211756 0.83116444517004 15.999 19 O 0.40178559314079 0.90364498788244 0.33116444517004 15.999 20 O 0.59821440685921 0.40364498788244 0.16883555482996 15.999 21 O 0.64580792379273 0.70062668087373 0.57146495727116 15.999 22 O 0.35419207620727 0.20062668087373 0.92853504272884 15.999 23 O 0.35419207620727 0.29937331912627 0.42853504272884 15.999 24 O 0.64580792379273 0.79937331912627 0.07146495727117 15.999 25 O 0.75361861831672 0.10506216982526 0.50614443276470 15.999 26 O 0.24638138168328 0.60506216982526 0.99385556723530 15.999 27 O 0.24638138168328 0.89493783017474 0.49385556723530 15.999 28 O 0.75361861831672 0.39493783017474 0.00614443276470 15.999 29 Sr 0.38146928422440 0.04679096359028 0.13214675292701 87.620 30 Sr 0.61853071577560 0.54679096359028 0.36785324707299 87.620 31 Sr 0.61853071577560 0.95320903640972 0.86785324707299 87.620 32 Sr 0.38146928422440 0.45320903640972 0.63214675292701 87.620 33 Sr 0.87563315024782 0.08909572488458 0.16114598082430 87.620 34 Sr 0.12436684975218 0.58909572488458 0.33885401917570 87.620 35 Sr 0.12436684975218 0.91090427511542 0.83885401917570 87.620 36 Sr 0.87563315024782 0.41090427511542 0.66114598082430 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.434710100009783 0.000000000000000 0.000000000000000 b 0.000000000000000 10.657237979999998 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): 1 B 0.33007972278383 0.27280976703699 0.08376429827817 10.811 > 1 2 B 0.83007972278383 0.27280976703699 0.08376429827817 10.811 > 1 3 B 0.33007972278383 0.77280976703699 0.08376429827817 10.811 > 1 4 B 0.83007972278383 0.77280976703699 0.08376429827817 10.811 > 1 5 B 0.16992027721617 0.02280976703699 0.41623570172183 10.811 > 5 6 B 0.66992027721617 0.02280976703699 0.41623570172183 10.811 > 5 7 B 0.16992027721617 0.52280976703699 0.41623570172183 10.811 > 5 8 B 0.66992027721617 0.52280976703699 0.41623570172183 10.811 > 5 9 B 0.16992027721617 0.22719023296301 0.91623570172183 10.811 > 9 10 B 0.66992027721617 0.22719023296301 0.91623570172183 10.811 > 9 11 B 0.16992027721617 0.72719023296301 0.91623570172183 10.811 > 9 12 B 0.66992027721617 0.72719023296301 0.91623570172183 10.811 > 9 13 B 0.33007972278383 0.47719023296301 0.58376429827817 10.811 > 13 14 B 0.83007972278383 0.47719023296301 0.58376429827817 10.811 > 13 15 B 0.33007972278383 0.97719023296301 0.58376429827817 10.811 > 13 16 B 0.83007972278383 0.97719023296301 0.58376429827817 10.811 > 13 17 B 0.42022507931347 0.21488572501230 0.90434141111184 10.811 > 17 18 B 0.92022507931347 0.21488572501230 0.90434141111184 10.811 > 17 19 B 0.42022507931347 0.71488572501230 0.90434141111184 10.811 > 17 20 B 0.92022507931347 0.71488572501230 0.90434141111184 10.811 > 17 21 B 0.07977492068653 0.46488572501230 0.59565858888816 10.811 > 21 22 B 0.57977492068653 0.46488572501230 0.59565858888816 10.811 > 21 23 B 0.07977492068653 0.96488572501230 0.59565858888816 10.811 > 21 24 B 0.57977492068653 0.96488572501230 0.59565858888816 10.811 > 21 25 B 0.07977492068653 0.28511427498770 0.09565858888816 10.811 > 25 26 B 0.57977492068653 0.28511427498770 0.09565858888816 10.811 > 25 27 B 0.07977492068653 0.78511427498770 0.09565858888816 10.811 > 25 28 B 0.57977492068653 0.78511427498770 0.09565858888816 10.811 > 25 29 B 0.42022507931347 0.03511427498770 0.40434141111184 10.811 > 29 30 B 0.92022507931347 0.03511427498770 0.40434141111184 10.811 > 29 31 B 0.42022507931347 0.53511427498770 0.40434141111184 10.811 > 29 32 B 0.92022507931347 0.53511427498770 0.40434141111184 10.811 > 29 33 O 0.07148490396256 0.07728240127134 0.64764756937900 15.999 > 33 34 O 0.57148490396256 0.07728240127134 0.64764756937900 15.999 > 33 35 O 0.07148490396256 0.57728240127134 0.64764756937900 15.999 > 33 36 O 0.57148490396256 0.57728240127134 0.64764756937900 15.999 > 33 37 O 0.42851509603744 0.32728240127134 0.85235243062100 15.999 > 37 38 O 0.92851509603744 0.32728240127134 0.85235243062100 15.999 > 37 39 O 0.42851509603744 0.82728240127134 0.85235243062100 15.999 > 37 40 O 0.92851509603744 0.82728240127134 0.85235243062100 15.999 > 37 41 O 0.42851509603744 0.42271759872866 0.35235243062100 15.999 > 41 42 O 0.92851509603744 0.42271759872866 0.35235243062100 15.999 > 41 43 O 0.42851509603744 0.92271759872866 0.35235243062100 15.999 > 41 44 O 0.92851509603744 0.92271759872866 0.35235243062100 15.999 > 41 45 O 0.07148490396256 0.17271759872866 0.14764756937900 15.999 > 45 46 O 0.57148490396256 0.17271759872866 0.14764756937900 15.999 > 45 47 O 0.07148490396256 0.67271759872866 0.14764756937900 15.999 > 45 48 O 0.57148490396256 0.67271759872866 0.14764756937900 15.999 > 45 49 O 0.44637652216149 0.10545561321203 0.85661394803868 15.999 > 49 50 O 0.94637652216150 0.10545561321203 0.85661394803868 15.999 > 49 51 O 0.44637652216149 0.60545561321203 0.85661394803868 15.999 > 49 52 O 0.94637652216150 0.60545561321203 0.85661394803868 15.999 > 49 53 O 0.05362347783850 0.35545561321203 0.64338605196132 15.999 > 53 54 O 0.55362347783850 0.35545561321203 0.64338605196132 15.999 > 53 55 O 0.05362347783850 0.85545561321203 0.64338605196132 15.999 > 53 56 O 0.55362347783850 0.85545561321203 0.64338605196132 15.999 > 53 57 O 0.05362347783850 0.39454438678797 0.14338605196132 15.999 > 57 58 O 0.55362347783850 0.39454438678797 0.14338605196132 15.999 > 57 59 O 0.05362347783850 0.89454438678797 0.14338605196132 15.999 > 57 60 O 0.55362347783850 0.89454438678797 0.14338605196132 15.999 > 57 61 O 0.44637652216149 0.14454438678797 0.35661394803868 15.999 > 61 62 O 0.94637652216150 0.14454438678797 0.35661394803868 15.999 > 61 63 O 0.44637652216149 0.64454438678797 0.35661394803868 15.999 > 61 64 O 0.94637652216150 0.64454438678797 0.35661394803868 15.999 > 61 65 O 0.29910720342960 0.04817750605878 0.66883555482996 15.999 > 65 66 O 0.79910720342960 0.04817750605878 0.66883555482996 15.999 > 65 67 O 0.29910720342960 0.54817750605878 0.66883555482996 15.999 > 65 68 O 0.79910720342960 0.54817750605878 0.66883555482996 15.999 > 65 69 O 0.20089279657040 0.29817750605878 0.83116444517004 15.999 > 69 70 O 0.70089279657040 0.29817750605878 0.83116444517004 15.999 > 69 71 O 0.20089279657040 0.79817750605878 0.83116444517004 15.999 > 69 72 O 0.70089279657040 0.79817750605878 0.83116444517004 15.999 > 69 73 O 0.20089279657040 0.45182249394122 0.33116444517004 15.999 > 73 74 O 0.70089279657040 0.45182249394122 0.33116444517004 15.999 > 73 75 O 0.20089279657040 0.95182249394122 0.33116444517004 15.999 > 73 76 O 0.70089279657040 0.95182249394122 0.33116444517004 15.999 > 73 77 O 0.29910720342960 0.20182249394122 0.16883555482996 15.999 > 77 78 O 0.79910720342960 0.20182249394122 0.16883555482996 15.999 > 77 79 O 0.29910720342960 0.70182249394122 0.16883555482996 15.999 > 77 80 O 0.79910720342960 0.70182249394122 0.16883555482996 15.999 > 77 81 O 0.32290396189636 0.35031334043686 0.57146495727116 15.999 > 81 82 O 0.82290396189636 0.35031334043686 0.57146495727116 15.999 > 81 83 O 0.32290396189636 0.85031334043686 0.57146495727116 15.999 > 81 84 O 0.82290396189636 0.85031334043686 0.57146495727116 15.999 > 81 85 O 0.17709603810364 0.10031334043686 0.92853504272884 15.999 > 85 86 O 0.67709603810364 0.10031334043686 0.92853504272884 15.999 > 85 87 O 0.17709603810364 0.60031334043686 0.92853504272884 15.999 > 85 88 O 0.67709603810364 0.60031334043686 0.92853504272884 15.999 > 85 89 O 0.17709603810364 0.14968665956314 0.42853504272884 15.999 > 89 90 O 0.67709603810364 0.14968665956314 0.42853504272884 15.999 > 89 91 O 0.17709603810364 0.64968665956314 0.42853504272884 15.999 > 89 92 O 0.67709603810364 0.64968665956314 0.42853504272884 15.999 > 89 93 O 0.32290396189636 0.39968665956314 0.07146495727117 15.999 > 93 94 O 0.82290396189636 0.39968665956314 0.07146495727117 15.999 > 93 95 O 0.32290396189636 0.89968665956314 0.07146495727117 15.999 > 93 96 O 0.82290396189636 0.89968665956314 0.07146495727117 15.999 > 93 97 O 0.37680930915836 0.05253108491263 0.50614443276470 15.999 > 97 98 O 0.87680930915836 0.05253108491263 0.50614443276470 15.999 > 97 99 O 0.37680930915836 0.55253108491263 0.50614443276470 15.999 > 97 100 O 0.87680930915836 0.55253108491263 0.50614443276470 15.999 > 97 101 O 0.12319069084164 0.30253108491263 0.99385556723530 15.999 > 101 102 O 0.62319069084164 0.30253108491263 0.99385556723530 15.999 > 101 103 O 0.12319069084164 0.80253108491263 0.99385556723530 15.999 > 101 104 O 0.62319069084164 0.80253108491263 0.99385556723530 15.999 > 101 105 O 0.12319069084164 0.44746891508737 0.49385556723530 15.999 > 105 106 O 0.62319069084164 0.44746891508737 0.49385556723530 15.999 > 105 107 O 0.12319069084164 0.94746891508737 0.49385556723530 15.999 > 105 108 O 0.62319069084164 0.94746891508737 0.49385556723530 15.999 > 105 109 O 0.37680930915836 0.19746891508737 0.00614443276470 15.999 > 109 110 O 0.87680930915836 0.19746891508737 0.00614443276470 15.999 > 109 111 O 0.37680930915836 0.69746891508737 0.00614443276470 15.999 > 109 112 O 0.87680930915836 0.69746891508737 0.00614443276470 15.999 > 109 113 Sr 0.19073464211220 0.02339548179514 0.13214675292701 87.620 > 113 114 Sr 0.69073464211220 0.02339548179514 0.13214675292701 87.620 > 113 115 Sr 0.19073464211220 0.52339548179514 0.13214675292701 87.620 > 113 116 Sr 0.69073464211220 0.52339548179514 0.13214675292701 87.620 > 113 117 Sr 0.30926535788780 0.27339548179514 0.36785324707299 87.620 > 117 118 Sr 0.80926535788780 0.27339548179514 0.36785324707299 87.620 > 117 119 Sr 0.30926535788780 0.77339548179514 0.36785324707299 87.620 > 117 120 Sr 0.80926535788780 0.77339548179514 0.36785324707299 87.620 > 117 121 Sr 0.30926535788780 0.47660451820486 0.86785324707299 87.620 > 121 122 Sr 0.80926535788780 0.47660451820486 0.86785324707299 87.620 > 121 123 Sr 0.30926535788780 0.97660451820486 0.86785324707299 87.620 > 121 124 Sr 0.80926535788780 0.97660451820486 0.86785324707299 87.620 > 121 125 Sr 0.19073464211220 0.22660451820486 0.63214675292701 87.620 > 125 126 Sr 0.69073464211220 0.22660451820486 0.63214675292701 87.620 > 125 127 Sr 0.19073464211220 0.72660451820486 0.63214675292701 87.620 > 125 128 Sr 0.69073464211220 0.72660451820486 0.63214675292701 87.620 > 125 129 Sr 0.43781657512391 0.04454786244229 0.16114598082430 87.620 > 129 130 Sr 0.93781657512391 0.04454786244229 0.16114598082430 87.620 > 129 131 Sr 0.43781657512391 0.54454786244229 0.16114598082430 87.620 > 129 132 Sr 0.93781657512391 0.54454786244229 0.16114598082430 87.620 > 129 133 Sr 0.06218342487609 0.29454786244229 0.33885401917570 87.620 > 133 134 Sr 0.56218342487609 0.29454786244229 0.33885401917570 87.620 > 133 135 Sr 0.06218342487609 0.79454786244229 0.33885401917570 87.620 > 133 136 Sr 0.56218342487609 0.79454786244229 0.33885401917570 87.620 > 133 137 Sr 0.06218342487609 0.45545213755771 0.83885401917570 87.620 > 137 138 Sr 0.56218342487609 0.45545213755771 0.83885401917570 87.620 > 137 139 Sr 0.06218342487609 0.95545213755771 0.83885401917570 87.620 > 137 140 Sr 0.56218342487609 0.95545213755771 0.83885401917570 87.620 > 137 141 Sr 0.43781657512391 0.20545213755771 0.66114598082430 87.620 > 141 142 Sr 0.93781657512391 0.20545213755771 0.66114598082430 87.620 > 141 143 Sr 0.43781657512391 0.70545213755771 0.66114598082430 87.620 > 141 144 Sr 0.93781657512391 0.70545213755771 0.66114598082430 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7847396 0.0000000 -0.1531143 0.0000000 3.0485855 0.0000000 -0.1531138 0.0000000 2.9260746 -------------------------- Born effective charges -------------------------- 1 B 1.2319466 -0.2509714 -0.9295357 -0.1837592 2.8193920 -0.3201722 -0.9850072 -0.1958785 2.0617343 2 B 1.2319466 0.2509714 -0.9295357 0.1837592 2.8193920 0.3201722 -0.9850072 0.1958785 2.0617343 3 B 1.2319466 -0.2509714 -0.9295357 -0.1837592 2.8193920 -0.3201722 -0.9850072 -0.1958785 2.0617343 4 B 1.2319466 0.2509714 -0.9295357 0.1837592 2.8193920 0.3201722 -0.9850072 0.1958785 2.0617343 5 B 1.1080777 -0.1332870 -0.9523403 -0.2423981 2.6762028 -0.0065346 -0.9779486 -0.1617353 2.2236768 6 B 1.1080777 0.1332870 -0.9523403 0.2423981 2.6762028 0.0065346 -0.9779486 0.1617353 2.2236768 7 B 1.1080777 -0.1332870 -0.9523403 -0.2423981 2.6762028 -0.0065346 -0.9779486 -0.1617353 2.2236768 8 B 1.1080777 0.1332870 -0.9523403 0.2423981 2.6762028 0.0065346 -0.9779486 0.1617353 2.2236768 9 O -1.4844008 0.0592677 0.2470802 0.0626940 -2.3371260 -0.2684283 0.2444281 -0.3194711 -1.5215309 10 O -1.4844008 -0.0592677 0.2470802 -0.0626940 -2.3371260 0.2684283 0.2444281 0.3194711 -1.5215309 11 O -1.4844008 0.0592677 0.2470802 0.0626940 -2.3371260 -0.2684283 0.2444281 -0.3194711 -1.5215309 12 O -1.4844008 -0.0592677 0.2470802 -0.0626940 -2.3371260 0.2684283 0.2444281 0.3194711 -1.5215309 13 O -1.5676334 0.3692777 0.2872873 0.3748905 -2.3319034 -0.2479577 0.2887964 -0.2861626 -1.6040003 14 O -1.5676334 -0.3692777 0.2872873 -0.3748905 -2.3319034 0.2479577 0.2887964 0.2861626 -1.6040003 15 O -1.5676334 0.3692777 0.2872873 0.3748905 -2.3319034 -0.2479577 0.2887964 -0.2861626 -1.6040003 16 O -1.5676334 -0.3692777 0.2872873 -0.3748905 -2.3319034 0.2479577 0.2887964 0.2861626 -1.6040003 17 O -1.5100251 0.2526669 0.3287730 0.2212290 -1.8271891 -0.3239615 0.3549694 -0.3411400 -2.1181339 18 O -1.5100251 -0.2526669 0.3287730 -0.2212290 -1.8271891 0.3239615 0.3549694 0.3411400 -2.1181339 19 O -1.5100251 0.2526669 0.3287730 0.2212290 -1.8271891 -0.3239615 0.3549694 -0.3411400 -2.1181339 20 O -1.5100251 -0.2526669 0.3287730 -0.2212290 -1.8271891 0.3239615 0.3549694 0.3411400 -2.1181339 21 O -1.3642317 -0.1184370 0.0348493 -0.1002789 -2.5634927 -0.0661580 0.0377914 -0.0933517 -1.4929775 22 O -1.3642317 0.1184370 0.0348493 0.1002789 -2.5634927 0.0661580 0.0377914 0.0933517 -1.4929775 23 O -1.3642317 -0.1184370 0.0348493 -0.1002789 -2.5634927 -0.0661580 0.0377914 -0.0933517 -1.4929775 24 O -1.3642317 0.1184370 0.0348493 0.1002789 -2.5634927 0.0661580 0.0377914 0.0933517 -1.4929775 25 O -1.3835607 -0.2970093 0.9424049 -0.3366308 -1.4551976 0.2183864 0.9806299 0.1693264 -2.3427444 26 O -1.3835607 0.2970093 0.9424049 0.3366308 -1.4551976 -0.2183864 0.9806299 -0.1693264 -2.3427444 27 O -1.3835607 -0.2970093 0.9424049 -0.3366308 -1.4551976 0.2183864 0.9806299 0.1693264 -2.3427444 28 O -1.3835607 0.2970093 0.9424049 0.3366308 -1.4551976 -0.2183864 0.9806299 -0.1693264 -2.3427444 29 Sr 2.4882769 0.0394956 -0.0513057 -0.0052066 2.5040104 -0.0547772 -0.0433747 -0.1523607 2.4217243 30 Sr 2.4882769 -0.0394956 -0.0513057 0.0052066 2.5040104 0.0547772 -0.0433747 0.1523607 2.4217243 31 Sr 2.4882769 0.0394956 -0.0513057 -0.0052066 2.5040104 -0.0547772 -0.0433747 -0.1523607 2.4217243 32 Sr 2.4882769 -0.0394956 -0.0513057 0.0052066 2.5040104 0.0547772 -0.0433747 0.1523607 2.4217243 33 Sr 2.4815505 -0.0818295 0.0927870 -0.0542209 2.5153037 -0.0182756 0.0997153 -0.0504420 2.3722516 34 Sr 2.4815505 0.0818295 0.0927870 0.0542209 2.5153037 0.0182756 0.0997153 0.0504420 2.3722516 35 Sr 2.4815505 -0.0818295 0.0927870 -0.0542209 2.5153037 -0.0182756 0.0997153 -0.0504420 2.3722516 36 Sr 2.4815505 0.0818295 0.0927870 0.0542209 2.5153037 0.0182756 0.0997153 0.0504420 2.3722516 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:48:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:48:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.717355050004891 0.000000000000000 0.000000000000000 b 0.000000000000000 5.328618989999999 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): 1 B 0.66015944556767 0.54561953407398 0.08376429827817 10.811 2 B 0.33984055443233 0.04561953407398 0.41623570172183 10.811 3 B 0.33984055443233 0.45438046592602 0.91623570172183 10.811 4 B 0.66015944556767 0.95438046592602 0.58376429827817 10.811 5 B 0.84045015862694 0.42977145002459 0.90434141111184 10.811 6 B 0.15954984137306 0.92977145002460 0.59565858888816 10.811 7 B 0.15954984137306 0.57022854997540 0.09565858888816 10.811 8 B 0.84045015862694 0.07022854997540 0.40434141111184 10.811 9 O 0.14296980792511 0.15456480254268 0.64764756937900 15.999 10 O 0.85703019207488 0.65456480254268 0.85235243062100 15.999 11 O 0.85703019207488 0.84543519745732 0.35235243062100 15.999 12 O 0.14296980792511 0.34543519745732 0.14764756937900 15.999 13 O 0.89275304432299 0.21091122642407 0.85661394803868 15.999 14 O 0.10724695567701 0.71091122642407 0.64338605196132 15.999 15 O 0.10724695567701 0.78908877357593 0.14338605196132 15.999 16 O 0.89275304432299 0.28908877357593 0.35661394803868 15.999 17 O 0.59821440685921 0.09635501211756 0.66883555482996 15.999 18 O 0.40178559314079 0.59635501211756 0.83116444517004 15.999 19 O 0.40178559314079 0.90364498788244 0.33116444517004 15.999 20 O 0.59821440685921 0.40364498788244 0.16883555482996 15.999 21 O 0.64580792379273 0.70062668087373 0.57146495727116 15.999 22 O 0.35419207620727 0.20062668087373 0.92853504272884 15.999 23 O 0.35419207620727 0.29937331912627 0.42853504272884 15.999 24 O 0.64580792379273 0.79937331912627 0.07146495727117 15.999 25 O 0.75361861831672 0.10506216982526 0.50614443276470 15.999 26 O 0.24638138168328 0.60506216982526 0.99385556723530 15.999 27 O 0.24638138168328 0.89493783017474 0.49385556723530 15.999 28 O 0.75361861831672 0.39493783017474 0.00614443276470 15.999 29 Sr 0.38146928422440 0.04679096359028 0.13214675292701 87.620 30 Sr 0.61853071577560 0.54679096359028 0.36785324707299 87.620 31 Sr 0.61853071577560 0.95320903640972 0.86785324707299 87.620 32 Sr 0.38146928422440 0.45320903640972 0.63214675292701 87.620 33 Sr 0.87563315024782 0.08909572488458 0.16114598082430 87.620 34 Sr 0.12436684975218 0.58909572488458 0.33885401917570 87.620 35 Sr 0.12436684975218 0.91090427511542 0.83885401917570 87.620 36 Sr 0.87563315024782 0.41090427511542 0.66114598082430 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.434710100009783 0.000000000000000 0.000000000000000 b 0.000000000000000 10.657237979999998 0.000000000000000 c -0.616502048692808 0.000000000000000 11.854614365805579 Atomic positions (fractional): 1 B 0.33007972278383 0.27280976703699 0.08376429827817 10.811 > 1 2 B 0.83007972278383 0.27280976703699 0.08376429827817 10.811 > 1 3 B 0.33007972278383 0.77280976703699 0.08376429827817 10.811 > 1 4 B 0.83007972278383 0.77280976703699 0.08376429827817 10.811 > 1 5 B 0.16992027721617 0.02280976703699 0.41623570172183 10.811 > 5 6 B 0.66992027721617 0.02280976703699 0.41623570172183 10.811 > 5 7 B 0.16992027721617 0.52280976703699 0.41623570172183 10.811 > 5 8 B 0.66992027721617 0.52280976703699 0.41623570172183 10.811 > 5 9 B 0.16992027721617 0.22719023296301 0.91623570172183 10.811 > 9 10 B 0.66992027721617 0.22719023296301 0.91623570172183 10.811 > 9 11 B 0.16992027721617 0.72719023296301 0.91623570172183 10.811 > 9 12 B 0.66992027721617 0.72719023296301 0.91623570172183 10.811 > 9 13 B 0.33007972278383 0.47719023296301 0.58376429827817 10.811 > 13 14 B 0.83007972278383 0.47719023296301 0.58376429827817 10.811 > 13 15 B 0.33007972278383 0.97719023296301 0.58376429827817 10.811 > 13 16 B 0.83007972278383 0.97719023296301 0.58376429827817 10.811 > 13 17 B 0.42022507931347 0.21488572501230 0.90434141111184 10.811 > 17 18 B 0.92022507931347 0.21488572501230 0.90434141111184 10.811 > 17 19 B 0.42022507931347 0.71488572501230 0.90434141111184 10.811 > 17 20 B 0.92022507931347 0.71488572501230 0.90434141111184 10.811 > 17 21 B 0.07977492068653 0.46488572501230 0.59565858888816 10.811 > 21 22 B 0.57977492068653 0.46488572501230 0.59565858888816 10.811 > 21 23 B 0.07977492068653 0.96488572501230 0.59565858888816 10.811 > 21 24 B 0.57977492068653 0.96488572501230 0.59565858888816 10.811 > 21 25 B 0.07977492068653 0.28511427498770 0.09565858888816 10.811 > 25 26 B 0.57977492068653 0.28511427498770 0.09565858888816 10.811 > 25 27 B 0.07977492068653 0.78511427498770 0.09565858888816 10.811 > 25 28 B 0.57977492068653 0.78511427498770 0.09565858888816 10.811 > 25 29 B 0.42022507931347 0.03511427498770 0.40434141111184 10.811 > 29 30 B 0.92022507931347 0.03511427498770 0.40434141111184 10.811 > 29 31 B 0.42022507931347 0.53511427498770 0.40434141111184 10.811 > 29 32 B 0.92022507931347 0.53511427498770 0.40434141111184 10.811 > 29 33 O 0.07148490396256 0.07728240127134 0.64764756937900 15.999 > 33 34 O 0.57148490396256 0.07728240127134 0.64764756937900 15.999 > 33 35 O 0.07148490396256 0.57728240127134 0.64764756937900 15.999 > 33 36 O 0.57148490396256 0.57728240127134 0.64764756937900 15.999 > 33 37 O 0.42851509603744 0.32728240127134 0.85235243062100 15.999 > 37 38 O 0.92851509603744 0.32728240127134 0.85235243062100 15.999 > 37 39 O 0.42851509603744 0.82728240127134 0.85235243062100 15.999 > 37 40 O 0.92851509603744 0.82728240127134 0.85235243062100 15.999 > 37 41 O 0.42851509603744 0.42271759872866 0.35235243062100 15.999 > 41 42 O 0.92851509603744 0.42271759872866 0.35235243062100 15.999 > 41 43 O 0.42851509603744 0.92271759872866 0.35235243062100 15.999 > 41 44 O 0.92851509603744 0.92271759872866 0.35235243062100 15.999 > 41 45 O 0.07148490396256 0.17271759872866 0.14764756937900 15.999 > 45 46 O 0.57148490396256 0.17271759872866 0.14764756937900 15.999 > 45 47 O 0.07148490396256 0.67271759872866 0.14764756937900 15.999 > 45 48 O 0.57148490396256 0.67271759872866 0.14764756937900 15.999 > 45 49 O 0.44637652216149 0.10545561321203 0.85661394803868 15.999 > 49 50 O 0.94637652216150 0.10545561321203 0.85661394803868 15.999 > 49 51 O 0.44637652216149 0.60545561321203 0.85661394803868 15.999 > 49 52 O 0.94637652216150 0.60545561321203 0.85661394803868 15.999 > 49 53 O 0.05362347783850 0.35545561321203 0.64338605196132 15.999 > 53 54 O 0.55362347783850 0.35545561321203 0.64338605196132 15.999 > 53 55 O 0.05362347783850 0.85545561321203 0.64338605196132 15.999 > 53 56 O 0.55362347783850 0.85545561321203 0.64338605196132 15.999 > 53 57 O 0.05362347783850 0.39454438678797 0.14338605196132 15.999 > 57 58 O 0.55362347783850 0.39454438678797 0.14338605196132 15.999 > 57 59 O 0.05362347783850 0.89454438678797 0.14338605196132 15.999 > 57 60 O 0.55362347783850 0.89454438678797 0.14338605196132 15.999 > 57 61 O 0.44637652216149 0.14454438678797 0.35661394803868 15.999 > 61 62 O 0.94637652216150 0.14454438678797 0.35661394803868 15.999 > 61 63 O 0.44637652216149 0.64454438678797 0.35661394803868 15.999 > 61 64 O 0.94637652216150 0.64454438678797 0.35661394803868 15.999 > 61 65 O 0.29910720342960 0.04817750605878 0.66883555482996 15.999 > 65 66 O 0.79910720342960 0.04817750605878 0.66883555482996 15.999 > 65 67 O 0.29910720342960 0.54817750605878 0.66883555482996 15.999 > 65 68 O 0.79910720342960 0.54817750605878 0.66883555482996 15.999 > 65 69 O 0.20089279657040 0.29817750605878 0.83116444517004 15.999 > 69 70 O 0.70089279657040 0.29817750605878 0.83116444517004 15.999 > 69 71 O 0.20089279657040 0.79817750605878 0.83116444517004 15.999 > 69 72 O 0.70089279657040 0.79817750605878 0.83116444517004 15.999 > 69 73 O 0.20089279657040 0.45182249394122 0.33116444517004 15.999 > 73 74 O 0.70089279657040 0.45182249394122 0.33116444517004 15.999 > 73 75 O 0.20089279657040 0.95182249394122 0.33116444517004 15.999 > 73 76 O 0.70089279657040 0.95182249394122 0.33116444517004 15.999 > 73 77 O 0.29910720342960 0.20182249394122 0.16883555482996 15.999 > 77 78 O 0.79910720342960 0.20182249394122 0.16883555482996 15.999 > 77 79 O 0.29910720342960 0.70182249394122 0.16883555482996 15.999 > 77 80 O 0.79910720342960 0.70182249394122 0.16883555482996 15.999 > 77 81 O 0.32290396189636 0.35031334043686 0.57146495727116 15.999 > 81 82 O 0.82290396189636 0.35031334043686 0.57146495727116 15.999 > 81 83 O 0.32290396189636 0.85031334043686 0.57146495727116 15.999 > 81 84 O 0.82290396189636 0.85031334043686 0.57146495727116 15.999 > 81 85 O 0.17709603810364 0.10031334043686 0.92853504272884 15.999 > 85 86 O 0.67709603810364 0.10031334043686 0.92853504272884 15.999 > 85 87 O 0.17709603810364 0.60031334043686 0.92853504272884 15.999 > 85 88 O 0.67709603810364 0.60031334043686 0.92853504272884 15.999 > 85 89 O 0.17709603810364 0.14968665956314 0.42853504272884 15.999 > 89 90 O 0.67709603810364 0.14968665956314 0.42853504272884 15.999 > 89 91 O 0.17709603810364 0.64968665956314 0.42853504272884 15.999 > 89 92 O 0.67709603810364 0.64968665956314 0.42853504272884 15.999 > 89 93 O 0.32290396189636 0.39968665956314 0.07146495727117 15.999 > 93 94 O 0.82290396189636 0.39968665956314 0.07146495727117 15.999 > 93 95 O 0.32290396189636 0.89968665956314 0.07146495727117 15.999 > 93 96 O 0.82290396189636 0.89968665956314 0.07146495727117 15.999 > 93 97 O 0.37680930915836 0.05253108491263 0.50614443276470 15.999 > 97 98 O 0.87680930915836 0.05253108491263 0.50614443276470 15.999 > 97 99 O 0.37680930915836 0.55253108491263 0.50614443276470 15.999 > 97 100 O 0.87680930915836 0.55253108491263 0.50614443276470 15.999 > 97 101 O 0.12319069084164 0.30253108491263 0.99385556723530 15.999 > 101 102 O 0.62319069084164 0.30253108491263 0.99385556723530 15.999 > 101 103 O 0.12319069084164 0.80253108491263 0.99385556723530 15.999 > 101 104 O 0.62319069084164 0.80253108491263 0.99385556723530 15.999 > 101 105 O 0.12319069084164 0.44746891508737 0.49385556723530 15.999 > 105 106 O 0.62319069084164 0.44746891508737 0.49385556723530 15.999 > 105 107 O 0.12319069084164 0.94746891508737 0.49385556723530 15.999 > 105 108 O 0.62319069084164 0.94746891508737 0.49385556723530 15.999 > 105 109 O 0.37680930915836 0.19746891508737 0.00614443276470 15.999 > 109 110 O 0.87680930915836 0.19746891508737 0.00614443276470 15.999 > 109 111 O 0.37680930915836 0.69746891508737 0.00614443276470 15.999 > 109 112 O 0.87680930915836 0.69746891508737 0.00614443276470 15.999 > 109 113 Sr 0.19073464211220 0.02339548179514 0.13214675292701 87.620 > 113 114 Sr 0.69073464211220 0.02339548179514 0.13214675292701 87.620 > 113 115 Sr 0.19073464211220 0.52339548179514 0.13214675292701 87.620 > 113 116 Sr 0.69073464211220 0.52339548179514 0.13214675292701 87.620 > 113 117 Sr 0.30926535788780 0.27339548179514 0.36785324707299 87.620 > 117 118 Sr 0.80926535788780 0.27339548179514 0.36785324707299 87.620 > 117 119 Sr 0.30926535788780 0.77339548179514 0.36785324707299 87.620 > 117 120 Sr 0.80926535788780 0.77339548179514 0.36785324707299 87.620 > 117 121 Sr 0.30926535788780 0.47660451820486 0.86785324707299 87.620 > 121 122 Sr 0.80926535788780 0.47660451820486 0.86785324707299 87.620 > 121 123 Sr 0.30926535788780 0.97660451820486 0.86785324707299 87.620 > 121 124 Sr 0.80926535788780 0.97660451820486 0.86785324707299 87.620 > 121 125 Sr 0.19073464211220 0.22660451820486 0.63214675292701 87.620 > 125 126 Sr 0.69073464211220 0.22660451820486 0.63214675292701 87.620 > 125 127 Sr 0.19073464211220 0.72660451820486 0.63214675292701 87.620 > 125 128 Sr 0.69073464211220 0.72660451820486 0.63214675292701 87.620 > 125 129 Sr 0.43781657512391 0.04454786244229 0.16114598082430 87.620 > 129 130 Sr 0.93781657512391 0.04454786244229 0.16114598082430 87.620 > 129 131 Sr 0.43781657512391 0.54454786244229 0.16114598082430 87.620 > 129 132 Sr 0.93781657512391 0.54454786244229 0.16114598082430 87.620 > 129 133 Sr 0.06218342487609 0.29454786244229 0.33885401917570 87.620 > 133 134 Sr 0.56218342487609 0.29454786244229 0.33885401917570 87.620 > 133 135 Sr 0.06218342487609 0.79454786244229 0.33885401917570 87.620 > 133 136 Sr 0.56218342487609 0.79454786244229 0.33885401917570 87.620 > 133 137 Sr 0.06218342487609 0.45545213755771 0.83885401917570 87.620 > 137 138 Sr 0.56218342487609 0.45545213755771 0.83885401917570 87.620 > 137 139 Sr 0.06218342487609 0.95545213755771 0.83885401917570 87.620 > 137 140 Sr 0.56218342487609 0.95545213755771 0.83885401917570 87.620 > 137 141 Sr 0.43781657512391 0.20545213755771 0.66114598082430 87.620 > 141 142 Sr 0.93781657512391 0.20545213755771 0.66114598082430 87.620 > 141 143 Sr 0.43781657512391 0.70545213755771 0.66114598082430 87.620 > 141 144 Sr 0.93781657512391 0.70545213755771 0.66114598082430 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7847396 0.0000000 -0.1531143 0.0000000 3.0485855 0.0000000 -0.1531138 0.0000000 2.9260746 -------------------------- Born effective charges -------------------------- 1 B 1.2319466 -0.2509714 -0.9295357 -0.1837592 2.8193920 -0.3201722 -0.9850072 -0.1958785 2.0617343 2 B 1.2319466 0.2509714 -0.9295357 0.1837592 2.8193920 0.3201722 -0.9850072 0.1958785 2.0617343 3 B 1.2319466 -0.2509714 -0.9295357 -0.1837592 2.8193920 -0.3201722 -0.9850072 -0.1958785 2.0617343 4 B 1.2319466 0.2509714 -0.9295357 0.1837592 2.8193920 0.3201722 -0.9850072 0.1958785 2.0617343 5 B 1.1080777 -0.1332870 -0.9523403 -0.2423981 2.6762028 -0.0065346 -0.9779486 -0.1617353 2.2236768 6 B 1.1080777 0.1332870 -0.9523403 0.2423981 2.6762028 0.0065346 -0.9779486 0.1617353 2.2236768 7 B 1.1080777 -0.1332870 -0.9523403 -0.2423981 2.6762028 -0.0065346 -0.9779486 -0.1617353 2.2236768 8 B 1.1080777 0.1332870 -0.9523403 0.2423981 2.6762028 0.0065346 -0.9779486 0.1617353 2.2236768 9 O -1.4844008 0.0592677 0.2470802 0.0626940 -2.3371260 -0.2684283 0.2444281 -0.3194711 -1.5215309 10 O -1.4844008 -0.0592677 0.2470802 -0.0626940 -2.3371260 0.2684283 0.2444281 0.3194711 -1.5215309 11 O -1.4844008 0.0592677 0.2470802 0.0626940 -2.3371260 -0.2684283 0.2444281 -0.3194711 -1.5215309 12 O -1.4844008 -0.0592677 0.2470802 -0.0626940 -2.3371260 0.2684283 0.2444281 0.3194711 -1.5215309 13 O -1.5676334 0.3692777 0.2872873 0.3748905 -2.3319034 -0.2479577 0.2887964 -0.2861626 -1.6040003 14 O -1.5676334 -0.3692777 0.2872873 -0.3748905 -2.3319034 0.2479577 0.2887964 0.2861626 -1.6040003 15 O -1.5676334 0.3692777 0.2872873 0.3748905 -2.3319034 -0.2479577 0.2887964 -0.2861626 -1.6040003 16 O -1.5676334 -0.3692777 0.2872873 -0.3748905 -2.3319034 0.2479577 0.2887964 0.2861626 -1.6040003 17 O -1.5100251 0.2526669 0.3287730 0.2212290 -1.8271891 -0.3239615 0.3549694 -0.3411400 -2.1181339 18 O -1.5100251 -0.2526669 0.3287730 -0.2212290 -1.8271891 0.3239615 0.3549694 0.3411400 -2.1181339 19 O -1.5100251 0.2526669 0.3287730 0.2212290 -1.8271891 -0.3239615 0.3549694 -0.3411400 -2.1181339 20 O -1.5100251 -0.2526669 0.3287730 -0.2212290 -1.8271891 0.3239615 0.3549694 0.3411400 -2.1181339 21 O -1.3642317 -0.1184370 0.0348493 -0.1002789 -2.5634927 -0.0661580 0.0377914 -0.0933517 -1.4929775 22 O -1.3642317 0.1184370 0.0348493 0.1002789 -2.5634927 0.0661580 0.0377914 0.0933517 -1.4929775 23 O -1.3642317 -0.1184370 0.0348493 -0.1002789 -2.5634927 -0.0661580 0.0377914 -0.0933517 -1.4929775 24 O -1.3642317 0.1184370 0.0348493 0.1002789 -2.5634927 0.0661580 0.0377914 0.0933517 -1.4929775 25 O -1.3835607 -0.2970093 0.9424049 -0.3366308 -1.4551976 0.2183864 0.9806299 0.1693264 -2.3427444 26 O -1.3835607 0.2970093 0.9424049 0.3366308 -1.4551976 -0.2183864 0.9806299 -0.1693264 -2.3427444 27 O -1.3835607 -0.2970093 0.9424049 -0.3366308 -1.4551976 0.2183864 0.9806299 0.1693264 -2.3427444 28 O -1.3835607 0.2970093 0.9424049 0.3366308 -1.4551976 -0.2183864 0.9806299 -0.1693264 -2.3427444 29 Sr 2.4882769 0.0394956 -0.0513057 -0.0052066 2.5040104 -0.0547772 -0.0433747 -0.1523607 2.4217243 30 Sr 2.4882769 -0.0394956 -0.0513057 0.0052066 2.5040104 0.0547772 -0.0433747 0.1523607 2.4217243 31 Sr 2.4882769 0.0394956 -0.0513057 -0.0052066 2.5040104 -0.0547772 -0.0433747 -0.1523607 2.4217243 32 Sr 2.4882769 -0.0394956 -0.0513057 0.0052066 2.5040104 0.0547772 -0.0433747 0.1523607 2.4217243 33 Sr 2.4815505 -0.0818295 0.0927870 -0.0542209 2.5153037 -0.0182756 0.0997153 -0.0504420 2.3722516 34 Sr 2.4815505 0.0818295 0.0927870 0.0542209 2.5153037 0.0182756 0.0997153 0.0504420 2.3722516 35 Sr 2.4815505 -0.0818295 0.0927870 -0.0542209 2.5153037 -0.0182756 0.0997153 -0.0504420 2.3722516 36 Sr 2.4815505 0.0818295 0.0927870 0.0542209 2.5153037 0.0182756 0.0997153 0.0504420 2.3722516 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 12.640 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.045 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.442 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 17.730 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 17.792 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 18.704 ( 0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 0.000) 0.000 18.823 ( 0.000 0.000 0.000) 0.000 18.994 ( 0.000 0.000 0.000) 0.000 20.693 ( 0.000 0.000 0.000) 0.000 20.789 ( 0.000 0.000 0.000) 0.000 20.965 ( 0.000 0.000 0.000) 0.000 21.072 ( 0.000 0.000 0.000) 0.000 21.213 ( 0.000 0.000 0.000) 0.000 21.248 ( 0.000 0.000 0.000) 0.000 21.728 ( 0.000 0.000 0.000) 0.000 21.747 ( 0.000 0.000 0.000) 0.000 23.006 ( 0.000 0.000 0.000) 0.000 23.197 ( 0.000 0.000 0.000) 0.000 23.218 ( 0.000 0.000 0.000) 0.000 23.223 ( 0.000 0.000 0.000) 0.000 29.603 ( 0.000 0.000 0.000) 0.000 29.620 ( 0.000 0.000 0.000) 0.000 29.629 ( 0.000 0.000 0.000) 0.000 29.648 ( 0.000 0.000 0.000) 0.000 33.507 ( 0.000 0.000 0.000) 0.000 33.562 ( 0.000 0.000 0.000) 0.000 33.739 ( 0.000 0.000 0.000) 0.000 35.120 ( 0.000 0.000 0.000) 0.000 36.742 ( 0.000 0.000 0.000) 0.000 36.802 ( 0.000 0.000 0.000) 0.000 36.842 ( 0.000 0.000 0.000) 0.000 37.772 ( 0.000 0.000 0.000) 0.000 39.599 ( 0.000 0.000 0.000) 0.000 39.732 ( 0.000 0.000 0.000) 0.000 39.966 ( 0.000 0.000 0.000) 0.000 40.018 ( 0.000 0.000 0.000) 0.000 40.144 ( 0.000 0.000 0.000) 0.000 40.172 ( 0.000 0.000 0.000) 0.000 40.568 ( 0.000 0.000 0.000) 0.000 40.606 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 28.819 0.000 -20.201) 35.194 0.639 ( 30.040 0.000 -5.486) 30.537 1.131 ( 51.754 0.000 -8.739) 52.486 1.901 ( 7.988 0.000 3.515) 8.727 1.949 ( -1.612 0.000 -8.289) 8.444 1.989 ( 10.605 0.000 -7.229) 12.834 2.368 ( -0.185 0.000 -2.595) 2.601 2.540 ( -0.470 0.000 4.615) 4.639 2.585 ( 16.417 0.000 12.707) 20.760 2.885 ( -9.525 0.000 0.088) 9.526 3.137 ( -10.627 0.000 -0.429) 10.635 3.189 ( -4.474 0.000 7.432) 8.675 3.230 ( -6.264 0.000 -2.900) 6.903 3.367 ( -0.104 0.000 -0.689) 0.697 3.376 ( -4.940 0.000 4.850) 6.923 3.461 ( 0.737 0.000 2.888) 2.980 3.647 ( 2.321 0.000 0.933) 2.501 3.745 ( 4.262 0.000 -0.889) 4.353 3.890 ( 8.744 0.000 -4.741) 9.946 3.945 ( 8.969 0.000 1.937) 9.176 3.970 ( 3.761 0.000 1.423) 4.022 4.461 ( -0.133 0.000 -1.013) 1.022 4.659 ( -7.431 0.000 -1.897) 7.669 4.798 ( -7.220 0.000 7.423) 10.355 4.806 ( -2.524 0.000 1.529) 2.951 4.985 ( 3.526 0.000 2.826) 4.519 5.253 ( -3.837 0.000 0.354) 3.853 5.265 ( -10.192 0.000 1.867) 10.361 5.399 ( -7.252 0.000 -0.179) 7.254 5.433 ( -5.535 0.000 2.232) 5.968 5.612 ( 1.366 0.000 10.044) 10.137 5.695 ( 1.813 0.000 -5.558) 5.846 5.766 ( -0.416 0.000 2.086) 2.127 5.885 ( -10.035 0.000 -2.500) 10.341 5.966 ( 1.470 0.000 -1.827) 2.345 6.110 ( -2.754 0.000 2.764) 3.902 6.151 ( -3.805 0.000 -27.136) 27.402 6.197 ( 0.699 0.000 -0.021) 0.699 6.268 ( -1.808 0.000 1.161) 2.149 6.487 ( 3.675 0.000 -0.026) 3.675 6.564 ( -8.032 0.000 0.918) 8.084 6.648 ( -2.778 0.000 6.505) 7.073 6.877 ( -2.621 0.000 -4.534) 5.237 6.881 ( -2.426 0.000 -2.432) 3.435 6.960 ( 0.738 0.000 3.090) 3.177 6.967 ( -2.132 0.000 1.707) 2.731 7.006 ( -10.322 0.000 1.425) 10.420 7.203 ( -0.395 0.000 -2.443) 2.474 7.410 ( 4.139 0.000 1.802) 4.514 7.549 ( -1.819 0.000 -1.855) 2.598 7.705 ( 1.040 0.000 2.103) 2.346 7.735 ( 12.041 0.000 -10.495) 15.972 7.757 ( -0.709 0.000 -3.260) 3.336 7.905 ( -1.781 0.000 -0.023) 1.781 8.219 ( 12.522 0.000 -3.313) 12.953 8.447 ( -5.457 0.000 2.373) 5.951 8.660 ( 9.332 0.000 -1.886) 9.520 8.816 ( -0.225 0.000 33.773) 33.774 9.147 ( 9.876 0.000 -0.533) 9.891 9.800 ( -2.003 0.000 11.630) 11.801 12.683 ( -0.122 0.000 1.079) 1.086 12.714 ( 0.827 0.000 -0.167) 0.844 12.932 ( -1.590 0.000 0.905) 1.829 13.069 ( 1.678 0.000 -0.071) 1.679 13.202 ( 0.631 0.000 -0.910) 1.107 13.391 ( -1.119 0.000 -0.056) 1.120 13.410 ( -2.719 0.000 2.653) 3.799 13.719 ( -0.269 0.000 0.818) 0.861 17.739 ( 0.785 0.000 0.400) 0.882 17.772 ( 0.797 0.000 -0.472) 0.927 17.877 ( -0.636 0.000 1.784) 1.894 17.961 ( -0.144 0.000 -18.981) 18.982 18.713 ( 0.678 0.000 1.182) 1.363 18.795 ( 1.386 0.000 -0.631) 1.523 18.816 ( -0.574 0.000 -0.959) 1.118 18.998 ( -1.134 0.000 -2.974) 3.183 20.772 ( -0.958 0.000 -2.150) 2.354 20.960 ( -0.412 0.000 0.055) 0.415 21.001 ( -1.137 0.000 4.049) 4.205 21.208 ( -0.382 0.000 -0.265) 0.465 21.332 ( 6.809 0.000 -1.861) 7.058 21.488 ( 1.103 0.000 32.565) 32.584 21.718 ( -0.946 0.000 1.458) 1.739 21.734 ( -1.080 0.000 -1.807) 2.105 23.019 ( 1.157 0.000 -0.956) 1.500 23.187 ( -1.276 0.000 1.577) 2.029 23.204 ( -0.705 0.000 0.255) 0.750 23.236 ( 0.587 0.000 -0.120) 0.599 29.603 ( 0.038 0.000 -0.584) 0.585 29.627 ( -0.183 0.000 0.335) 0.381 29.645 ( -0.212 0.000 -0.146) 0.257 29.664 ( 0.322 0.000 -3.402) 3.418 33.593 ( 2.858 0.000 -2.496) 3.794 33.762 ( 1.908 0.000 2.500) 3.145 34.376 ( 2.643 0.000 -111.513) 111.544 35.009 ( -9.684 0.000 6.233) 11.517 36.738 ( -0.280 0.000 -0.424) 0.508 36.745 ( -4.162 0.000 1.795) 4.532 37.029 ( 2.554 0.000 -36.537) 36.626 37.807 ( 2.070 0.000 5.711) 6.075 39.602 ( 0.226 0.000 0.162) 0.278 39.730 ( -1.567 0.000 -4.817) 5.066 39.982 ( 1.554 0.000 -1.511) 2.168 40.066 ( 3.996 0.000 -1.752) 4.363 40.142 ( -0.219 0.000 -0.097) 0.240 40.163 ( -0.822 0.000 1.156) 1.419 40.546 ( -1.997 0.000 -1.128) 2.294 40.576 ( -2.767 0.000 3.374) 4.364 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 27.363 0.000 -19.190) 33.422 1.283 ( 29.949 0.000 -4.533) 30.290 2.046 ( 9.896 0.000 -10.976) 14.779 2.066 ( 14.146 0.000 5.289) 15.102 2.159 ( 4.844 0.000 5.025) 6.979 2.211 ( 8.416 0.000 -5.398) 9.998 2.302 ( 24.554 0.000 -3.872) 24.857 2.493 ( -20.852 0.000 -1.035) 20.877 2.600 ( 4.520 0.000 -0.137) 4.522 2.807 ( -8.346 0.000 10.109) 13.109 2.855 ( -12.861 0.000 -3.029) 13.213 2.915 ( -3.683 0.000 11.592) 12.162 3.237 ( -7.837 0.000 1.331) 7.949 3.363 ( 0.216 0.000 0.571) 0.610 3.485 ( 13.838 0.000 -1.677) 13.940 3.578 ( 3.673 0.000 7.174) 8.059 3.719 ( 5.237 0.000 -0.316) 5.246 3.853 ( 10.005 0.000 -1.363) 10.098 4.006 ( 0.642 0.000 -1.649) 1.770 4.037 ( 3.868 0.000 -1.721) 4.234 4.171 ( 7.802 0.000 5.400) 9.488 4.347 ( -18.499 0.000 -0.296) 18.502 4.443 ( -0.791 0.000 -1.217) 1.452 4.625 ( -6.715 0.000 -1.076) 6.801 4.696 ( -9.793 0.000 3.419) 10.373 4.982 ( -3.249 0.000 7.520) 8.191 5.168 ( -1.705 0.000 -3.726) 4.098 5.208 ( 1.760 0.000 1.046) 2.048 5.262 ( -7.915 0.000 -1.785) 8.114 5.276 ( -4.275 0.000 -2.402) 4.903 5.587 ( -10.427 0.000 -2.261) 10.670 5.668 ( 3.874 0.000 -2.190) 4.450 5.674 ( -7.818 0.000 1.853) 8.035 5.760 ( 0.290 0.000 3.070) 3.084 5.999 ( -5.760 0.000 6.250) 8.499 6.027 ( 1.478 0.000 -13.174) 13.256 6.090 ( 2.384 0.000 -2.677) 3.584 6.206 ( 0.303 0.000 -0.803) 0.858 6.224 ( -2.220 0.000 -0.508) 2.278 6.373 ( -9.028 0.000 4.509) 10.092 6.569 ( 3.573 0.000 1.255) 3.787 6.648 ( 1.901 0.000 4.235) 4.642 6.799 ( -3.842 0.000 -3.889) 5.467 6.804 ( -4.055 0.000 -5.691) 6.987 6.861 ( -3.517 0.000 1.470) 3.812 6.921 ( -2.107 0.000 1.549) 2.615 6.980 ( 0.692 0.000 3.942) 4.002 7.188 ( -0.559 0.000 -3.361) 3.407 7.509 ( 4.394 0.000 2.533) 5.071 7.518 ( -0.757 0.000 -0.792) 1.095 7.692 ( -2.745 0.000 -1.531) 3.143 7.724 ( 0.461 0.000 1.746) 1.806 7.882 ( -0.383 0.000 -0.126) 0.403 7.977 ( 9.439 0.000 -11.477) 14.860 8.271 ( -6.055 0.000 10.544) 12.159 8.526 ( 9.360 0.000 -8.525) 12.660 8.781 ( 0.867 0.000 10.214) 10.251 8.932 ( 8.258 0.000 -3.161) 8.842 9.351 ( 7.706 0.000 -0.438) 7.719 9.758 ( -2.518 0.000 6.557) 7.024 12.684 ( 0.066 0.000 0.130) 0.146 12.731 ( 0.656 0.000 -0.251) 0.702 12.902 ( -1.056 0.000 0.743) 1.291 13.100 ( 1.008 0.000 0.223) 1.032 13.220 ( 1.080 0.000 -1.228) 1.635 13.353 ( -2.375 0.000 2.522) 3.464 13.361 ( -1.551 0.000 0.703) 1.703 13.715 ( -0.143 0.000 0.722) 0.736 17.761 ( 1.047 0.000 0.627) 1.221 17.793 ( 1.165 0.000 -0.854) 1.444 17.861 ( -0.982 0.000 2.050) 2.273 17.932 ( -1.057 0.000 -6.590) 6.675 18.734 ( 1.045 0.000 1.791) 2.074 18.797 ( -0.968 0.000 -1.568) 1.843 18.834 ( 2.203 0.000 -0.803) 2.345 18.960 ( -2.070 0.000 -0.604) 2.156 20.757 ( -0.192 0.000 -1.742) 1.753 20.950 ( -0.424 0.000 0.139) 0.446 20.980 ( -0.902 0.000 1.537) 1.782 21.200 ( -0.245 0.000 -0.268) 0.363 21.490 ( 7.228 0.000 -3.659) 8.101 21.561 ( 2.884 0.000 14.300) 14.588 21.687 ( -2.339 0.000 2.840) 3.679 21.697 ( -2.036 0.000 -4.079) 4.559 23.053 ( 2.061 0.000 -1.615) 2.619 23.151 ( -2.154 0.000 1.716) 2.754 23.192 ( -0.420 0.000 0.231) 0.479 23.245 ( 0.293 0.000 -0.089) 0.306 29.605 ( 0.240 0.000 -0.987) 1.016 29.621 ( -0.439 0.000 0.751) 0.870 29.641 ( -0.162 0.000 -0.048) 0.169 29.667 ( 0.155 0.000 -1.198) 1.208 33.665 ( 3.564 0.000 -3.346) 4.889 33.818 ( 2.557 0.000 4.033) 4.775 34.293 ( -1.774 0.000 -40.513) 40.552 34.784 ( -9.950 0.000 7.712) 12.589 36.671 ( -2.402 0.000 1.644) 2.911 36.732 ( -0.222 0.000 -0.351) 0.416 37.044 ( 1.196 0.000 -11.687) 11.748 37.842 ( 0.467 0.000 4.961) 4.983 39.608 ( 0.268 0.000 0.203) 0.336 39.693 ( -1.288 0.000 -1.286) 1.820 40.027 ( 2.672 0.000 -2.430) 3.612 40.129 ( -1.088 0.000 -3.366) 3.538 40.147 ( -0.734 0.000 5.732) 5.779 40.162 ( 4.461 0.000 -1.631) 4.750 40.488 ( -3.045 0.000 0.172) 3.050 40.511 ( -2.959 0.000 2.511) 3.881 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 -0.000) 0.000 1.874 ( -0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 -0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 -0.000) 0.000 2.739 ( 0.000 0.000 -0.000) 0.000 2.938 ( 0.000 0.000 -0.000) 0.000 3.080 ( -0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 -0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 -0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.056 ( -0.000 0.000 -0.000) 0.000 4.143 ( -0.000 0.000 -0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 -0.000) 0.000 4.412 ( 0.000 0.000 -0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 -0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 -0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 -0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 -0.000) 0.000 5.732 ( 0.000 0.000 -0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.848 ( -0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 -0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.718 ( -0.000 0.000 -0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 -0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 -0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.580 ( -0.000 0.000 -0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.137 ( -0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 -0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 -0.000) 0.000 9.035 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 -0.000) 0.000 12.891 ( 0.000 0.000 -0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 -0.000) 0.000 13.327 ( 0.000 0.000 -0.000) 0.000 13.340 ( 0.000 0.000 -0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 17.775 ( 0.000 0.000 0.000) 0.000 17.810 ( 0.000 0.000 -0.000) 0.000 17.847 ( 0.000 0.000 0.000) 0.000 17.914 ( 0.000 0.000 -0.000) 0.000 18.753 ( 0.000 0.000 -0.000) 0.000 18.779 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 18.925 ( 0.000 0.000 -0.000) 0.000 20.755 ( 0.000 0.000 0.000) 0.000 20.945 ( 0.000 0.000 -0.000) 0.000 20.971 ( 0.000 0.000 0.000) 0.000 21.198 ( 0.000 0.000 0.000) 0.000 21.610 ( -0.000 0.000 0.000) 0.000 21.622 ( 0.000 0.000 -0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 21.645 ( 0.000 0.000 -0.000) 0.000 23.095 ( -0.000 0.000 0.000) 0.000 23.108 ( 0.000 0.000 -0.000) 0.000 23.187 ( 0.000 0.000 -0.000) 0.000 23.248 ( 0.000 0.000 0.000) 0.000 29.611 ( 0.000 0.000 -0.000) 0.000 29.613 ( -0.000 0.000 0.000) 0.000 29.639 ( 0.000 0.000 0.000) 0.000 29.668 ( 0.000 0.000 -0.000) 0.000 33.708 ( 0.000 0.000 0.000) 0.000 33.855 ( 0.000 0.000 0.000) 0.000 34.243 ( 0.000 0.000 -0.000) 0.000 34.669 ( 0.000 0.000 0.000) 0.000 36.647 ( 0.000 0.000 0.000) 0.000 36.729 ( 0.000 0.000 0.000) 0.000 37.051 ( 0.000 0.000 -0.000) 0.000 37.847 ( 0.000 0.000 0.000) 0.000 39.611 ( 0.000 0.000 0.000) 0.000 39.677 ( 0.000 0.000 0.000) 0.000 40.076 ( 0.000 0.000 -0.000) 0.000 40.095 ( -0.000 0.000 0.000) 0.000 40.143 ( 0.000 0.000 -0.000) 0.000 40.220 ( 0.000 0.000 0.000) 0.000 40.444 ( 0.000 0.000 -0.000) 0.000 40.477 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 24.167 0.000) 24.167 0.744 ( 0.000 34.661 0.000) 34.661 1.350 ( 0.000 58.970 0.000) 58.970 1.955 ( 0.000 8.070 0.000) 8.070 2.074 ( 0.000 19.376 0.000) 19.376 2.145 ( 0.000 -0.770 0.000) 0.770 2.154 ( 0.000 7.456 0.000) 7.456 2.527 ( 0.000 -0.802 0.000) 0.802 2.658 ( 0.000 15.064 0.000) 15.064 2.963 ( 0.000 0.451 0.000) 0.451 3.123 ( 0.000 -6.075 0.000) 6.075 3.254 ( 0.000 -1.572 0.000) 1.572 3.445 ( 0.000 -5.680 0.000) 5.680 3.450 ( 0.000 3.500 0.000) 3.500 3.467 ( 0.000 0.871 0.000) 0.871 3.532 ( 0.000 0.694 0.000) 0.694 3.544 ( 0.000 2.268 0.000) 2.268 3.681 ( 0.000 -3.571 0.000) 3.571 3.772 ( 0.000 7.203 0.000) 7.203 3.907 ( 0.000 7.471 0.000) 7.471 4.011 ( 0.000 5.541 0.000) 5.541 4.518 ( 0.000 -4.388 0.000) 4.388 4.678 ( 0.000 -0.576 0.000) 0.576 4.696 ( 0.000 -3.360 0.000) 3.360 4.853 ( 0.000 -3.546 0.000) 3.546 4.964 ( 0.000 3.640 0.000) 3.640 5.096 ( 0.000 -6.387 0.000) 6.387 5.258 ( 0.000 -1.357 0.000) 1.357 5.363 ( 0.000 -5.165 0.000) 5.165 5.510 ( 0.000 -1.432 0.000) 1.432 5.625 ( 0.000 4.883 0.000) 4.883 5.711 ( 0.000 0.812 0.000) 0.812 5.754 ( 0.000 0.937 0.000) 0.937 5.858 ( 0.000 -4.666 0.000) 4.666 5.918 ( 0.000 -4.989 0.000) 4.989 6.033 ( 0.000 -5.468 0.000) 5.468 6.099 ( 0.000 5.238 0.000) 5.238 6.237 ( 0.000 4.028 0.000) 4.028 6.409 ( 0.000 6.982 0.000) 6.982 6.555 ( 0.000 7.388 0.000) 7.388 6.687 ( 0.000 -2.974 0.000) 2.974 6.699 ( 0.000 3.396 0.000) 3.396 6.913 ( 0.000 1.255 0.000) 1.255 6.942 ( 0.000 3.521 0.000) 3.521 6.994 ( 0.000 1.809 0.000) 1.809 7.160 ( 0.000 -4.469 0.000) 4.469 7.207 ( 0.000 0.082 0.000) 0.082 7.283 ( 0.000 -0.087 0.000) 0.087 7.386 ( 0.000 1.040 0.000) 1.040 7.458 ( 0.000 0.497 0.000) 0.497 7.674 ( 0.000 8.337 0.000) 8.337 7.717 ( 0.000 2.964 0.000) 2.964 7.794 ( 0.000 -1.158 0.000) 1.158 7.955 ( 0.000 -1.602 0.000) 1.602 8.077 ( 0.000 2.816 0.000) 2.816 8.295 ( 0.000 -2.872 0.000) 2.872 8.685 ( 0.000 9.421 0.000) 9.421 9.004 ( 0.000 -0.881 0.000) 0.881 9.358 ( 0.000 2.984 0.000) 2.984 9.643 ( 0.000 -6.470 0.000) 6.470 12.610 ( 0.000 -2.601 0.000) 2.601 12.698 ( 0.000 -0.135 0.000) 0.135 13.017 ( 0.000 3.517 0.000) 3.517 13.036 ( 0.000 -0.770 0.000) 0.770 13.207 ( 0.000 1.056 0.000) 1.056 13.365 ( 0.000 0.063 0.000) 0.063 13.427 ( 0.000 -1.419 0.000) 1.419 13.631 ( 0.000 -7.799 0.000) 7.799 17.742 ( 0.000 1.087 0.000) 1.087 17.755 ( 0.000 -0.721 0.000) 0.721 17.807 ( 0.000 1.213 0.000) 1.213 17.904 ( 0.000 0.056 0.000) 0.056 18.712 ( 0.000 0.762 0.000) 0.762 18.776 ( 0.000 -0.192 0.000) 0.192 18.829 ( 0.000 0.111 0.000) 0.111 18.985 ( 0.000 -0.890 0.000) 0.890 20.694 ( 0.000 0.029 0.000) 0.029 20.794 ( 0.000 -0.723 0.000) 0.723 20.963 ( 0.000 -0.179 0.000) 0.179 21.061 ( 0.000 -1.009 0.000) 1.009 21.215 ( 0.000 0.164 0.000) 0.164 21.246 ( 0.000 -0.234 0.000) 0.234 21.717 ( 0.000 -0.938 0.000) 0.938 21.736 ( 0.000 -0.958 0.000) 0.958 23.014 ( 0.000 0.650 0.000) 0.650 23.119 ( 0.000 -5.393 0.000) 5.393 23.226 ( 0.000 -0.925 0.000) 0.925 23.233 ( 0.000 -0.325 0.000) 0.325 29.596 ( 0.000 -0.656 0.000) 0.656 29.615 ( 0.000 -0.511 0.000) 0.511 29.628 ( 0.000 -1.473 0.000) 1.473 29.634 ( 0.000 -1.310 0.000) 1.310 33.501 ( 0.000 -0.559 0.000) 0.559 33.565 ( 0.000 0.253 0.000) 0.253 33.716 ( 0.000 -2.076 0.000) 2.076 35.264 ( 0.000 -14.490 0.000) 14.490 36.739 ( 0.000 -0.310 0.000) 0.310 36.787 ( 0.000 -1.153 0.000) 1.153 36.829 ( 0.000 -1.226 0.000) 1.226 37.690 ( 0.000 -20.775 0.000) 20.775 39.770 ( 0.000 3.509 0.000) 3.509 39.808 ( 0.000 12.196 0.000) 12.196 40.011 ( 0.000 1.812 0.000) 1.812 40.104 ( 0.000 -1.230 0.000) 1.230 40.168 ( 0.000 15.648 0.000) 15.648 40.256 ( 0.000 8.725 0.000) 8.725 40.923 ( 0.000 28.379 0.000) 28.379 43.792 ( 0.000 -3.182 0.000) 3.182 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 17.494 21.022 -8.086) 28.519 0.960 ( 20.464 22.224 0.402) 30.213 1.650 ( 24.821 31.402 -9.043) 41.036 1.961 ( 2.663 10.132 -7.304) 12.770 2.078 ( 10.341 9.806 -4.450) 14.930 2.178 ( 5.893 20.431 -3.980) 21.633 2.404 ( 0.716 -0.245 3.225) 3.313 2.588 ( 9.260 3.735 8.996) 13.439 2.700 ( 1.901 7.552 3.958) 8.735 2.839 ( -8.265 -2.245 -1.591) 8.711 3.097 ( -10.357 -2.260 3.701) 11.229 3.194 ( 2.866 -1.178 1.240) 3.337 3.242 ( -10.491 1.475 2.552) 10.897 3.364 ( -3.462 3.446 2.504) 5.489 3.481 ( 0.898 4.110 2.283) 4.787 3.506 ( 0.109 3.378 1.981) 3.917 3.631 ( 2.214 0.312 2.755) 3.548 3.775 ( 7.910 -1.162 -1.027) 8.060 3.835 ( 4.513 1.600 -4.113) 6.312 4.023 ( 5.979 4.407 -0.999) 7.495 4.053 ( 4.285 7.461 0.998) 8.661 4.458 ( -2.153 -1.420 -1.412) 2.940 4.600 ( -5.659 -4.960 -4.127) 8.583 4.730 ( -2.958 -2.923 8.334) 9.314 4.839 ( -4.546 1.703 2.421) 5.425 4.954 ( 3.365 -2.586 -0.175) 4.247 5.165 ( -4.518 -5.860 1.305) 7.513 5.229 ( -3.581 -2.516 4.089) 5.989 5.297 ( -3.058 -3.984 -7.776) 9.257 5.515 ( -2.033 -0.933 -0.089) 2.239 5.579 ( 0.137 3.174 6.214) 6.979 5.732 ( 0.952 -2.401 -3.289) 4.182 5.752 ( -2.054 -2.432 -7.790) 8.415 5.820 ( -3.455 1.887 5.681) 6.911 5.951 ( 2.350 -6.573 -8.442) 10.954 6.021 ( -1.446 -5.280 2.031) 5.839 6.066 ( -1.219 6.417 -0.578) 6.557 6.243 ( 0.264 2.450 0.437) 2.503 6.372 ( -3.200 6.180 1.270) 7.074 6.555 ( -3.387 0.204 -0.539) 3.435 6.626 ( -1.491 6.840 -1.368) 7.133 6.668 ( -1.746 3.147 5.086) 6.230 6.881 ( -3.297 0.890 1.725) 3.826 6.902 ( -1.103 1.405 -2.626) 3.176 6.979 ( -1.167 2.499 2.524) 3.739 7.083 ( -7.200 6.005 -0.385) 9.384 7.145 ( -3.451 1.144 -0.429) 3.661 7.246 ( -1.477 4.489 -1.935) 5.106 7.403 ( 2.127 0.027 0.588) 2.207 7.561 ( 2.758 0.805 -3.632) 4.631 7.713 ( -3.462 -1.040 0.849) 3.714 7.737 ( 3.130 1.945 -3.451) 5.049 7.799 ( 8.572 5.905 -6.439) 12.239 7.925 ( -1.467 1.647 1.388) 2.606 8.210 ( 10.079 -1.868 -4.864) 11.346 8.388 ( 3.189 -1.017 4.256) 5.414 8.695 ( 2.822 2.257 -0.596) 3.662 8.911 ( -9.813 3.077 13.094) 16.650 9.227 ( 2.791 6.491 3.238) 7.772 9.670 ( -0.804 -9.247 5.623) 10.852 12.626 ( 0.757 -4.371 0.018) 4.436 12.689 ( -0.644 -0.770 0.506) 1.125 12.964 ( -2.273 1.816 1.806) 3.425 13.107 ( 2.902 1.871 -3.059) 4.613 13.205 ( 0.271 0.562 0.399) 0.741 13.353 ( -3.044 -2.556 2.060) 4.477 13.408 ( -0.275 -0.925 0.161) 0.978 13.664 ( 2.216 -4.470 -0.249) 4.995 17.748 ( 0.818 0.763 0.570) 1.256 17.773 ( 0.882 0.130 -0.567) 1.056 17.870 ( 1.247 -0.842 -0.979) 1.795 17.909 ( 1.421 -1.985 -7.777) 8.151 18.719 ( 0.590 0.662 1.129) 1.436 18.786 ( 0.885 -0.383 -0.820) 1.266 18.825 ( -0.132 0.452 -0.916) 1.030 18.982 ( -0.661 -1.151 -1.396) 1.927 20.761 ( -0.422 -1.120 -1.520) 1.935 20.906 ( 4.960 -8.337 7.138) 12.044 20.958 ( -0.422 -0.205 0.070) 0.474 21.113 ( 3.668 -6.044 2.094) 7.373 21.273 ( 6.046 -2.186 2.387) 6.858 21.337 ( 7.650 -1.404 0.031) 7.778 21.700 ( -1.613 -1.476 0.621) 2.273 21.728 ( -0.794 -0.768 -0.895) 1.421 23.002 ( -0.093 0.002 -0.015) 0.095 23.121 ( 0.016 -4.770 1.481) 4.994 23.213 ( -1.043 -0.197 0.038) 1.062 23.229 ( -0.362 -1.154 -0.039) 1.210 29.595 ( -0.080 -0.740 -0.466) 0.878 29.607 ( -0.310 -1.277 -0.270) 1.341 29.633 ( -0.056 -1.237 0.280) 1.269 29.644 ( 0.720 -1.381 -1.196) 1.964 33.587 ( 2.768 -1.099 -3.037) 4.254 33.661 ( 4.718 -8.711 -15.903) 18.736 33.862 ( 14.273 -11.491 -18.651) 26.147 35.075 ( -14.562 -8.970 3.692) 17.497 36.721 ( -0.674 -0.880 -2.096) 2.371 36.738 ( -3.607 -0.552 1.373) 3.899 36.907 ( 5.248 -3.875 -5.063) 8.257 37.705 ( 0.784 -16.405 1.644) 16.506 39.751 ( -1.128 2.939 -0.861) 3.264 39.805 ( -0.778 15.413 1.886) 15.548 39.999 ( -0.237 0.080 0.286) 0.380 40.158 ( 2.786 3.015 -0.740) 4.171 40.191 ( 3.387 12.132 -2.673) 12.876 40.267 ( 1.550 9.427 0.972) 9.603 40.873 ( -4.608 26.532 1.938) 26.999 42.252 ( -76.575 73.481 -15.074) 107.193 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 22.011 10.851 -17.046) 29.879 1.434 ( 21.746 10.360 2.726) 24.241 1.991 ( 9.778 -1.359 -8.665) 13.135 2.189 ( -11.698 4.037 8.138) 14.811 2.263 ( 3.125 3.094 -3.329) 5.516 2.292 ( 6.926 6.464 -3.564) 10.122 2.486 ( -2.475 8.692 -2.798) 9.460 2.548 ( 25.073 20.758 -7.332) 33.366 2.698 ( -4.860 5.092 3.623) 7.916 2.807 ( -4.960 3.070 7.154) 9.231 2.925 ( -1.577 5.541 3.621) 6.804 3.011 ( -4.965 7.453 8.549) 12.381 3.241 ( -4.221 2.924 -0.131) 5.136 3.457 ( 11.419 -0.911 1.170) 11.515 3.528 ( 2.772 8.587 0.234) 9.027 3.607 ( 5.288 2.868 4.014) 7.232 3.704 ( 5.349 -0.666 0.471) 5.410 3.914 ( 2.791 -5.219 -0.219) 5.922 3.925 ( 6.808 6.491 -2.632) 9.767 4.087 ( 2.400 2.598 -3.007) 4.643 4.185 ( 3.749 0.457 3.713) 5.296 4.350 ( -14.592 0.064 -1.721) 14.693 4.418 ( -2.991 -2.118 -0.995) 3.798 4.623 ( -4.205 -0.108 0.530) 4.239 4.712 ( -9.414 1.987 4.253) 10.520 4.897 ( -6.295 -4.821 5.069) 9.411 5.124 ( -3.232 -5.224 -0.420) 6.157 5.179 ( 3.767 -0.314 -0.540) 3.818 5.259 ( 0.264 1.366 -7.225) 7.358 5.405 ( -5.762 5.479 -0.578) 7.972 5.519 ( -7.400 -5.022 -0.384) 8.951 5.657 ( -7.729 -1.100 5.677) 9.652 5.708 ( 1.178 2.091 -4.276) 4.903 5.793 ( 1.551 2.729 1.790) 3.614 5.942 ( -3.574 -4.093 -2.215) 5.868 6.041 ( 2.893 -1.522 -2.330) 4.014 6.072 ( 2.342 3.201 -1.061) 4.106 6.249 ( 0.650 3.380 0.719) 3.516 6.296 ( -4.154 3.277 1.552) 5.513 6.399 ( -7.488 2.393 0.009) 7.861 6.655 ( 1.375 8.277 1.737) 8.569 6.689 ( 3.449 3.439 3.227) 5.842 6.843 ( -0.373 2.500 -0.692) 2.621 6.863 ( -2.163 2.983 -4.523) 5.834 6.906 ( -4.626 6.596 -0.311) 8.063 6.996 ( -1.310 1.691 1.554) 2.644 7.073 ( -3.745 8.951 -0.222) 9.705 7.165 ( -3.419 1.133 -2.155) 4.197 7.426 ( -0.442 -3.292 -0.550) 3.367 7.606 ( 1.021 1.079 2.125) 2.593 7.694 ( 2.280 5.027 -1.589) 5.744 7.776 ( 1.338 2.678 0.178) 2.999 7.878 ( -1.800 1.417 1.627) 2.810 8.019 ( 9.424 3.383 -9.171) 13.578 8.354 ( -5.386 6.067 7.812) 11.262 8.412 ( 7.613 -8.636 -5.814) 12.898 8.668 ( -3.692 -8.846 9.751) 13.673 8.975 ( 10.747 1.713 -6.747) 12.805 9.330 ( 3.288 -0.841 2.133) 4.009 9.637 ( -2.054 -10.263 4.476) 11.383 12.638 ( 0.487 -4.790 -0.292) 4.823 12.672 ( -0.962 -2.791 0.376) 2.976 12.927 ( -1.211 1.624 1.327) 2.422 13.149 ( 1.344 3.120 -1.091) 3.567 13.205 ( -0.759 -2.220 0.873) 2.503 13.307 ( -0.356 -1.817 0.304) 1.876 13.389 ( -1.517 0.904 0.933) 1.997 13.705 ( 1.394 -1.002 0.022) 1.717 17.773 ( 1.257 0.858 0.562) 1.622 17.794 ( 1.087 0.262 -0.633) 1.284 17.860 ( -1.204 -0.138 2.170) 2.486 17.918 ( -0.109 -1.159 -5.698) 5.816 18.738 ( 0.881 0.407 1.728) 1.982 18.792 ( -0.474 -0.316 -1.530) 1.633 18.841 ( 1.825 0.488 -0.934) 2.108 18.951 ( -1.926 -0.735 -0.343) 2.089 20.752 ( -0.028 -0.450 -1.565) 1.628 20.940 ( -0.191 -3.264 1.799) 3.732 20.949 ( -0.351 -0.662 0.357) 0.830 21.155 ( 0.730 -4.197 0.440) 4.282 21.428 ( 6.781 -4.604 2.537) 8.580 21.510 ( 6.982 -2.620 2.311) 7.807 21.649 ( -3.126 -2.457 -0.117) 3.977 21.697 ( -2.059 -0.828 -0.839) 2.373 23.025 ( 2.054 -1.522 -1.137) 2.797 23.118 ( -0.696 -2.792 1.776) 3.381 23.185 ( -1.323 -0.794 0.477) 1.615 23.221 ( -0.291 -2.073 -0.455) 2.142 29.593 ( -0.036 -1.116 -0.480) 1.216 29.601 ( -0.210 -1.386 -0.186) 1.414 29.631 ( -0.080 -1.023 0.354) 1.086 29.653 ( 0.269 -1.146 -0.699) 1.369 33.655 ( 3.469 -1.720 -3.123) 4.975 33.710 ( 1.646 -7.944 -3.996) 9.044 34.068 ( 6.155 -12.812 -16.953) 22.123 34.768 ( -12.300 -5.905 5.858) 14.849 36.673 ( -2.139 0.178 1.360) 2.541 36.711 ( -0.188 -1.410 -1.170) 1.842 36.996 ( 3.133 -3.364 -4.328) 6.314 37.712 ( -0.295 -12.903 2.446) 13.136 39.733 ( -0.351 3.892 -0.932) 4.017 39.778 ( -1.564 14.851 1.899) 15.054 40.013 ( 1.179 -0.207 0.141) 1.206 40.166 ( -0.605 6.240 -1.996) 6.580 40.316 ( 6.537 12.165 -1.760) 13.922 40.359 ( 7.316 13.935 1.097) 15.777 40.740 ( -7.546 22.276 1.915) 23.597 41.159 ( -29.953 48.973 -4.031) 57.548 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 -1.915 0.000) 1.915 1.788 ( 0.000 2.256 -0.000) 2.256 1.908 ( 0.000 3.470 0.000) 3.470 1.986 ( -0.000 5.521 -0.000) 5.521 2.201 ( 0.000 0.126 -0.000) 0.126 2.417 ( 0.000 7.290 -0.000) 7.290 2.538 ( 0.000 1.804 -0.000) 1.804 2.544 ( -0.000 3.037 0.000) 3.037 2.659 ( 0.000 11.744 0.000) 11.744 2.880 ( 0.000 10.954 0.000) 10.954 2.993 ( -0.000 4.884 0.000) 4.884 3.156 ( 0.000 5.648 0.000) 5.648 3.245 ( -0.000 14.184 0.000) 14.184 3.445 ( 0.000 11.131 -0.000) 11.131 3.568 ( -0.000 14.815 -0.000) 14.815 3.610 ( 0.000 -0.821 0.000) 0.821 3.780 ( 0.000 -3.426 0.000) 3.426 3.929 ( 0.000 -6.334 0.000) 6.334 4.050 ( -0.000 -0.288 -0.000) 0.288 4.114 ( 0.000 -2.383 -0.000) 2.383 4.211 ( 0.000 2.716 0.000) 2.716 4.273 ( 0.000 1.626 -0.000) 1.626 4.368 ( 0.000 -4.815 0.000) 4.815 4.501 ( 0.000 5.240 0.000) 5.240 4.577 ( 0.000 1.547 0.000) 1.547 4.813 ( 0.000 -8.979 0.000) 8.979 5.106 ( 0.000 -1.161 0.000) 1.161 5.203 ( 0.000 2.049 -0.000) 2.049 5.317 ( -0.226 3.211 0.073) 3.220 5.317 ( 0.226 4.573 -0.073) 4.579 5.384 ( -0.000 -2.451 0.000) 2.451 5.565 ( 0.000 -1.677 0.000) 1.677 5.765 ( 0.000 2.787 -0.000) 2.787 5.831 ( -0.000 1.614 -0.000) 1.614 5.835 ( 0.000 -1.688 0.000) 1.688 6.071 ( 0.000 -0.118 -0.000) 0.118 6.168 ( -0.000 0.346 0.000) 0.346 6.184 ( 0.000 -0.820 -0.000) 0.820 6.280 ( 0.000 6.210 0.000) 6.210 6.299 ( 0.000 5.432 -0.000) 5.432 6.676 ( -0.000 6.214 -0.000) 6.214 6.770 ( 0.000 5.184 -0.000) 5.184 6.792 ( 0.000 4.616 0.000) 4.616 6.848 ( -0.000 5.566 0.000) 5.566 6.860 ( 0.000 6.980 0.000) 6.980 6.981 ( -0.000 0.237 0.000) 0.237 7.014 ( 0.000 10.743 0.000) 10.743 7.131 ( 0.000 -4.384 0.000) 4.384 7.416 ( 0.000 -3.986 0.000) 3.986 7.613 ( 0.000 -1.189 0.000) 1.189 7.738 ( -0.000 10.335 0.000) 10.335 7.805 ( 0.000 5.374 -0.000) 5.374 7.837 ( -0.000 -2.420 0.000) 2.420 8.173 ( -0.000 2.890 0.000) 2.890 8.238 ( 0.000 7.518 -0.000) 7.518 8.495 ( 0.000 -10.273 0.000) 10.273 8.637 ( 0.000 -13.057 0.000) 13.057 9.122 ( 0.000 6.407 -0.000) 6.407 9.347 ( -0.000 -8.104 0.000) 8.104 9.617 ( 0.000 -9.929 -0.000) 9.929 12.649 ( 0.000 -3.097 -0.000) 3.097 12.654 ( 0.000 -5.709 0.000) 5.709 12.915 ( 0.000 1.722 -0.000) 1.722 13.163 ( 0.000 3.335 0.000) 3.335 13.191 ( 0.000 -3.727 -0.000) 3.727 13.316 ( 0.000 -1.761 -0.000) 1.761 13.364 ( 0.000 2.707 0.000) 2.707 13.720 ( 0.000 0.153 -0.000) 0.153 17.791 ( 0.000 1.197 0.000) 1.197 17.810 ( 0.000 0.127 -0.000) 0.127 17.842 ( -0.000 -0.414 0.000) 0.414 17.910 ( 0.000 -0.500 -0.000) 0.500 18.753 ( -0.000 0.118 -0.000) 0.118 18.780 ( 0.000 0.089 0.000) 0.089 18.875 ( 0.000 0.473 0.000) 0.473 18.916 ( -0.000 -0.749 0.000) 0.749 20.752 ( 0.000 -0.251 0.000) 0.251 20.936 ( 0.000 -2.139 0.000) 2.139 20.945 ( 0.000 -0.994 -0.000) 0.994 21.162 ( 0.000 -3.342 0.000) 3.342 21.543 ( -0.000 -4.072 0.000) 4.072 21.577 ( 0.000 -3.261 0.000) 3.261 21.630 ( -0.000 -1.062 -0.000) 1.062 21.631 ( 0.000 -1.771 0.000) 1.771 23.063 ( -0.000 -2.348 0.000) 2.348 23.097 ( 0.000 -0.826 -0.000) 0.826 23.170 ( 0.000 -1.518 -0.000) 1.518 23.217 ( 0.000 -2.675 0.000) 2.675 29.592 ( 0.000 -1.535 -0.000) 1.535 29.598 ( -0.000 -1.093 0.000) 1.093 29.631 ( -0.000 -0.926 -0.000) 0.926 29.656 ( -0.000 -1.050 0.000) 1.050 33.702 ( -0.000 -0.657 0.000) 0.657 33.722 ( 0.000 -9.947 -0.000) 9.947 34.121 ( 0.000 -9.853 0.000) 9.853 34.626 ( 0.000 -5.440 -0.000) 5.440 36.651 ( 0.000 0.397 0.000) 0.397 36.709 ( 0.000 -1.491 0.000) 1.491 37.028 ( -0.000 -2.329 -0.000) 2.329 37.708 ( 0.000 -12.329 0.000) 12.329 39.731 ( 0.000 5.168 -0.000) 5.168 39.759 ( -0.000 12.623 0.000) 12.623 40.030 ( 0.000 -0.113 0.000) 0.113 40.155 ( -0.000 5.809 -0.000) 5.809 40.414 ( -0.000 18.126 0.000) 18.126 40.551 ( -0.000 29.382 -0.000) 29.382 40.567 ( 0.000 13.209 0.000) 13.209 40.809 ( 0.000 25.198 -0.000) 25.198 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 23.152 0.000) 23.152 1.423 ( 0.000 29.966 0.000) 29.966 2.128 ( 0.000 5.998 0.000) 5.998 2.147 ( 0.000 9.601 0.000) 9.601 2.190 ( 0.000 4.206 0.000) 4.206 2.261 ( 0.000 15.936 0.000) 15.936 2.513 ( 0.000 2.150 0.000) 2.150 2.765 ( 0.000 -2.747 0.000) 2.747 2.792 ( 0.000 29.475 0.000) 29.475 2.967 ( 0.000 -1.219 0.000) 1.219 2.973 ( 0.000 -2.802 0.000) 2.802 3.196 ( 0.000 -2.964 0.000) 2.964 3.354 ( 0.000 -1.230 0.000) 1.230 3.523 ( 0.000 0.678 0.000) 0.678 3.535 ( 0.000 -1.241 0.000) 1.241 3.572 ( 0.000 5.066 0.000) 5.066 3.651 ( 0.000 11.017 0.000) 11.017 3.652 ( 0.000 2.544 0.000) 2.544 3.917 ( 0.000 8.215 0.000) 8.215 4.050 ( 0.000 2.929 0.000) 2.929 4.232 ( 0.000 16.237 0.000) 16.237 4.400 ( 0.000 -6.062 0.000) 6.062 4.624 ( 0.000 -2.776 0.000) 2.776 4.700 ( 0.000 2.671 0.000) 2.671 4.758 ( 0.000 -5.129 0.000) 5.129 4.959 ( 0.000 -6.674 0.000) 6.674 5.042 ( 0.000 2.396 0.000) 2.396 5.290 ( 0.000 6.023 0.000) 6.023 5.296 ( 0.000 -0.622 0.000) 0.622 5.449 ( 0.000 -3.299 0.000) 3.299 5.567 ( 0.000 -10.767 0.000) 10.767 5.707 ( 0.000 -1.928 0.000) 1.928 5.711 ( 0.000 2.230 0.000) 2.230 5.823 ( 0.000 -4.191 0.000) 4.191 5.944 ( 0.000 6.415 0.000) 6.415 5.954 ( 0.000 -0.989 0.000) 0.989 6.228 ( 0.000 6.540 0.000) 6.540 6.278 ( 0.000 -0.506 0.000) 0.506 6.505 ( 0.000 -5.665 0.000) 5.665 6.526 ( 0.000 4.562 0.000) 4.562 6.777 ( 0.000 2.477 0.000) 2.477 6.822 ( 0.000 5.753 0.000) 5.753 6.969 ( 0.000 3.974 0.000) 3.974 6.997 ( 0.000 3.166 0.000) 3.166 7.045 ( 0.000 5.164 0.000) 5.164 7.062 ( 0.000 -4.613 0.000) 4.613 7.217 ( 0.000 1.429 0.000) 1.429 7.322 ( 0.000 3.305 0.000) 3.305 7.392 ( 0.000 0.525 0.000) 0.525 7.470 ( 0.000 0.849 0.000) 0.849 7.779 ( 0.000 0.389 0.000) 0.389 7.786 ( 0.000 -1.426 0.000) 1.426 7.801 ( 0.000 4.073 0.000) 4.073 8.004 ( 0.000 7.966 0.000) 7.966 8.144 ( 0.000 3.847 0.000) 3.847 8.323 ( 0.000 5.721 0.000) 5.721 8.832 ( 0.000 2.743 0.000) 2.743 8.975 ( 0.000 -1.951 0.000) 1.951 9.428 ( 0.000 3.241 0.000) 3.241 9.485 ( 0.000 -6.923 0.000) 6.923 12.555 ( 0.000 -2.022 0.000) 2.022 12.704 ( 0.000 0.655 0.000) 0.655 13.013 ( 0.000 -1.614 0.000) 1.614 13.042 ( 0.000 -1.984 0.000) 1.984 13.237 ( 0.000 1.678 0.000) 1.678 13.334 ( 0.000 -4.397 0.000) 4.397 13.417 ( 0.000 0.759 0.000) 0.759 13.478 ( 0.000 -4.220 0.000) 4.220 17.736 ( 0.000 -0.916 0.000) 0.916 17.768 ( 0.000 1.174 0.000) 1.174 17.834 ( 0.000 1.181 0.000) 1.181 17.903 ( 0.000 -0.285 0.000) 0.285 18.736 ( 0.000 1.540 0.000) 1.540 18.779 ( 0.000 0.559 0.000) 0.559 18.831 ( 0.000 0.031 0.000) 0.031 18.958 ( 0.000 -1.595 0.000) 1.595 20.695 ( 0.000 0.141 0.000) 0.141 20.774 ( 0.000 -1.129 0.000) 1.129 20.958 ( 0.000 -0.222 0.000) 0.222 21.033 ( 0.000 -1.552 0.000) 1.552 21.220 ( 0.000 0.232 0.000) 0.232 21.240 ( 0.000 -0.280 0.000) 0.280 21.692 ( 0.000 -1.343 0.000) 1.343 21.710 ( 0.000 -1.503 0.000) 1.503 23.012 ( 0.000 -4.163 0.000) 4.163 23.030 ( 0.000 0.769 0.000) 0.769 23.198 ( 0.000 -1.689 0.000) 1.689 23.213 ( 0.000 -1.383 0.000) 1.383 29.578 ( 0.000 -1.008 0.000) 1.008 29.591 ( 0.000 -1.814 0.000) 1.814 29.599 ( 0.000 -1.014 0.000) 1.014 29.600 ( 0.000 -1.794 0.000) 1.794 33.487 ( 0.000 -0.646 0.000) 0.646 33.572 ( 0.000 0.570 0.000) 0.570 33.659 ( 0.000 -3.212 0.000) 3.212 34.853 ( 0.000 -23.392 0.000) 23.392 36.728 ( 0.000 -0.725 0.000) 0.725 36.765 ( 0.000 -0.801 0.000) 0.801 36.794 ( 0.000 -1.971 0.000) 1.971 37.286 ( 0.000 -16.219 0.000) 16.219 39.868 ( 0.000 5.542 0.000) 5.542 39.982 ( 0.000 5.999 0.000) 5.999 40.062 ( 0.000 2.702 0.000) 2.702 40.122 ( 0.000 2.260 0.000) 2.260 40.511 ( 0.000 14.887 0.000) 14.887 40.600 ( 0.000 21.603 0.000) 21.603 41.601 ( 0.000 34.325 0.000) 34.325 43.692 ( 0.000 -6.490 0.000) 6.490 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 16.255 19.075 4.311) 25.430 1.524 ( 9.224 27.626 -5.672) 29.672 1.958 ( -2.475 8.426 -8.409) 12.159 2.223 ( 5.364 8.805 4.281) 11.163 2.342 ( 5.117 5.663 -5.796) 9.584 2.385 ( 0.829 3.177 2.639) 4.213 2.639 ( 7.601 0.485 5.231) 9.240 2.694 ( 2.945 -1.685 -0.517) 3.432 2.849 ( 6.710 28.201 -8.133) 30.107 2.878 ( -3.158 4.678 3.125) 6.452 3.061 ( -2.595 -1.551 0.553) 3.074 3.162 ( 3.057 0.490 3.168) 4.430 3.275 ( -6.908 1.977 5.671) 9.154 3.431 ( -1.634 1.191 6.783) 7.078 3.555 ( -0.960 1.713 1.024) 2.214 3.593 ( 2.371 4.324 0.085) 4.932 3.721 ( 3.455 9.781 0.379) 10.380 3.734 ( 6.027 1.654 -4.083) 7.465 3.955 ( 4.661 6.905 -1.260) 8.426 4.080 ( 1.822 1.114 -0.156) 2.141 4.259 ( 0.686 10.125 -0.694) 10.172 4.371 ( -2.489 -5.348 -1.476) 6.081 4.571 ( -2.874 2.716 -5.008) 6.381 4.688 ( -2.549 -1.698 7.858) 8.434 4.846 ( 4.120 -2.503 -2.688) 5.520 4.912 ( -2.177 -1.627 -1.498) 3.103 5.030 ( -2.744 -5.999 -0.058) 6.597 5.188 ( -7.038 1.239 3.213) 7.836 5.314 ( 0.204 3.646 -3.985) 5.405 5.433 ( -1.191 -4.054 -0.201) 4.230 5.546 ( -1.892 -6.974 2.332) 7.593 5.702 ( 0.405 -1.506 -4.992) 5.230 5.727 ( -0.658 1.698 2.798) 3.339 5.821 ( 0.324 -4.257 0.046) 4.270 5.920 ( -2.225 2.027 3.677) 4.752 5.973 ( 1.507 1.969 -0.394) 2.511 6.205 ( -1.610 5.880 -0.598) 6.125 6.271 ( -0.323 0.595 0.658) 0.944 6.478 ( -3.698 0.373 1.155) 3.892 6.495 ( -1.402 0.924 -1.262) 2.100 6.737 ( -1.531 2.359 -2.536) 3.787 6.849 ( 0.974 7.183 3.919) 8.240 6.893 ( -3.835 2.719 2.660) 5.402 6.937 ( -1.334 0.569 -1.711) 2.243 7.052 ( 0.541 6.003 -0.530) 6.050 7.133 ( -2.809 0.622 -0.742) 2.971 7.227 ( 2.982 2.633 0.132) 3.980 7.273 ( -2.083 3.618 2.329) 4.781 7.396 ( -0.824 -0.531 -3.324) 3.466 7.579 ( 7.160 0.784 -1.305) 7.320 7.711 ( 0.075 1.231 0.653) 1.395 7.788 ( 1.428 1.668 -6.765) 7.112 7.906 ( 3.935 1.875 4.179) 6.039 8.031 ( 2.347 9.464 -2.984) 10.197 8.195 ( 3.297 1.781 -2.897) 4.737 8.416 ( 7.057 3.105 0.050) 7.710 8.710 ( -9.458 -1.710 2.866) 10.030 8.928 ( -4.413 -0.428 2.655) 5.168 9.355 ( -2.124 4.498 2.258) 5.462 9.491 ( -1.876 -6.456 2.064) 7.033 12.549 ( -0.318 -2.525 -0.444) 2.583 12.682 ( -1.971 0.154 1.470) 2.464 12.969 ( -2.336 -1.547 1.873) 3.370 13.090 ( 2.009 -4.224 0.215) 4.682 13.229 ( -0.764 1.531 -0.266) 1.731 13.333 ( -3.251 1.221 0.790) 3.562 13.360 ( 1.927 -3.296 -0.540) 3.855 13.582 ( 5.399 -2.807 -2.685) 6.651 17.751 ( 1.071 -0.577 -0.657) 1.382 17.785 ( 1.288 0.907 0.175) 1.585 17.855 ( 1.549 -0.182 -1.835) 2.408 17.892 ( -0.768 -0.435 -0.237) 0.914 18.741 ( 0.357 1.390 1.023) 1.763 18.786 ( 0.545 0.388 -0.848) 1.080 18.832 ( 0.286 0.249 -0.826) 0.908 18.955 ( -0.472 -1.507 -0.346) 1.617 20.728 ( 1.217 -1.549 0.370) 2.004 20.792 ( 2.460 -2.690 1.490) 3.938 20.953 ( -0.485 -0.251 0.095) 0.555 21.041 ( 0.718 -2.326 0.040) 2.435 21.261 ( 3.721 0.031 0.197) 3.726 21.313 ( 6.008 -1.072 -0.477) 6.121 21.666 ( -2.227 -1.600 0.265) 2.755 21.702 ( -0.909 -1.596 -0.434) 1.888 23.011 ( -0.575 -0.374 -0.755) 1.020 23.029 ( 0.774 -2.492 2.019) 3.299 23.191 ( -0.620 -1.852 -0.568) 2.034 23.199 ( -1.280 -1.354 0.494) 1.928 29.575 ( -0.316 -1.105 -0.143) 1.158 29.580 ( -0.494 -1.299 -0.077) 1.392 29.600 ( 0.094 -1.700 0.366) 1.741 29.613 ( 0.672 -1.557 -0.554) 1.784 33.505 ( 1.621 -3.667 -9.309) 10.135 33.596 ( 2.102 -0.542 -2.944) 3.657 33.732 ( 5.970 -4.350 0.305) 7.393 34.743 ( -9.338 -20.339 5.276) 22.994 36.705 ( -1.082 -0.693 -1.810) 2.220 36.730 ( -2.736 -0.020 0.839) 2.862 36.842 ( 3.579 -2.941 0.462) 4.656 37.336 ( 3.410 -16.243 0.502) 16.605 39.834 ( -1.156 4.616 -0.442) 4.779 40.008 ( -1.636 1.747 0.712) 2.497 40.081 ( 6.122 10.149 0.445) 11.860 40.257 ( 8.414 5.950 0.154) 10.306 40.518 ( 1.213 14.721 1.219) 14.821 40.568 ( -1.302 19.468 -2.496) 19.671 41.509 ( -8.303 32.291 1.685) 33.384 43.071 ( -47.391 15.918 -5.753) 50.322 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 13.734 16.067 -6.709) 22.176 1.729 ( 7.856 18.620 1.571) 20.270 2.024 ( 6.227 4.455 -7.336) 10.604 2.253 ( -4.360 3.798 0.803) 5.838 2.307 ( -6.328 3.429 1.601) 7.373 2.424 ( 5.937 4.044 3.386) 7.941 2.634 ( -0.384 6.560 -4.312) 7.860 2.726 ( -8.696 1.039 2.443) 9.092 2.948 ( 3.993 7.213 10.130) 13.061 3.051 ( 3.180 5.928 -3.419) 7.546 3.088 ( 8.934 17.665 -2.061) 19.903 3.192 ( 4.637 9.422 5.378) 11.798 3.287 ( 8.305 2.747 -0.527) 8.763 3.487 ( 4.606 2.185 0.621) 5.136 3.587 ( 4.948 -2.260 2.307) 5.909 3.655 ( 3.922 1.437 1.080) 4.314 3.794 ( 3.670 10.805 -0.855) 11.443 3.847 ( 3.500 1.698 -1.313) 4.106 4.057 ( 1.346 -0.005 2.802) 3.109 4.135 ( 4.256 0.546 -3.485) 5.528 4.203 ( -3.430 6.344 -3.773) 8.139 4.315 ( -2.755 -3.661 -0.475) 4.607 4.438 ( -10.003 4.552 -4.538) 11.890 4.613 ( -2.835 -1.190 3.194) 4.433 4.761 ( -7.428 -0.461 1.475) 7.587 4.854 ( -11.010 2.332 6.860) 13.180 5.019 ( 4.522 -5.872 -4.055) 8.449 5.118 ( 2.820 -3.465 -2.800) 5.273 5.294 ( -1.864 0.303 0.442) 1.940 5.399 ( -1.507 -1.453 -1.357) 2.494 5.487 ( -3.324 0.074 1.308) 3.573 5.624 ( -7.631 -1.883 6.813) 10.401 5.728 ( 2.541 -0.671 -6.544) 7.052 5.853 ( 2.012 1.677 -2.409) 3.559 5.883 ( -2.311 -0.215 4.633) 5.182 6.006 ( 1.400 -1.440 -0.635) 2.106 6.179 ( -0.179 5.426 -0.118) 5.430 6.275 ( -0.444 1.913 2.334) 3.050 6.381 ( -3.171 3.336 -0.366) 4.617 6.464 ( -1.771 3.789 -1.544) 4.458 6.759 ( 3.671 1.068 -1.437) 4.084 6.852 ( -0.578 3.807 1.933) 4.308 6.874 ( 0.958 5.351 2.437) 5.957 6.921 ( -0.029 1.184 -0.916) 1.498 7.034 ( -2.222 5.939 -2.251) 6.729 7.061 ( -2.560 1.046 -2.946) 4.040 7.154 ( -3.445 9.374 0.537) 10.001 7.310 ( -1.244 4.210 -1.232) 4.559 7.394 ( 0.874 1.012 -0.083) 1.339 7.615 ( -0.824 0.611 2.837) 3.016 7.780 ( 2.455 1.597 -2.799) 4.051 7.876 ( 5.394 6.588 -0.351) 8.522 7.950 ( 0.811 3.747 4.017) 5.553 8.129 ( 6.850 7.429 -6.929) 12.252 8.253 ( 2.475 -4.200 -3.192) 5.827 8.405 ( -6.826 -2.591 6.000) 9.451 8.563 ( -6.157 1.019 5.268) 8.167 8.957 ( 9.319 -2.467 -6.624) 11.696 9.347 ( -0.634 0.333 0.958) 1.196 9.409 ( -5.209 -8.326 4.124) 10.652 12.548 ( 0.420 -2.945 -0.881) 3.102 12.628 ( -2.947 -1.342 1.694) 3.655 12.936 ( -0.875 -1.324 1.618) 2.266 13.099 ( -1.029 -6.520 2.765) 7.156 13.220 ( 0.337 2.711 -1.235) 2.998 13.298 ( -0.502 0.899 -1.339) 1.689 13.397 ( 1.362 0.049 -0.154) 1.372 13.671 ( 2.934 -2.346 -1.424) 4.017 17.776 ( 1.274 -0.417 -0.822) 1.572 17.815 ( 1.311 1.233 0.915) 2.019 17.853 ( -1.418 -0.487 2.354) 2.791 17.891 ( 0.452 -1.209 -3.997) 4.201 18.753 ( 0.516 1.037 1.452) 1.857 18.790 ( -0.106 0.285 -1.268) 1.304 18.851 ( 1.605 0.384 -1.110) 1.989 18.933 ( -1.529 -1.004 0.119) 1.832 20.741 ( 0.491 -0.556 -1.062) 1.295 20.850 ( 1.727 -4.181 1.844) 4.885 20.941 ( -0.533 -0.370 0.152) 0.667 21.061 ( 0.919 -4.083 0.139) 4.188 21.369 ( 5.759 -1.254 0.889) 5.961 21.459 ( 6.776 -2.366 -0.458) 7.192 21.600 ( -3.863 -2.023 -0.184) 4.364 21.665 ( -2.586 -2.060 -0.254) 3.316 23.009 ( 0.686 -0.224 -0.486) 0.871 23.059 ( 1.467 -2.289 1.513) 3.111 23.162 ( -1.970 -1.222 0.679) 2.415 23.172 ( -1.049 -2.386 -0.845) 2.740 29.566 ( -0.371 -1.236 0.102) 1.295 29.574 ( -0.132 -1.223 -0.433) 1.304 29.602 ( 0.064 -1.589 0.297) 1.618 29.624 ( 0.363 -1.604 -0.335) 1.679 33.526 ( 1.045 -6.234 -5.762) 8.553 33.645 ( 2.398 -1.728 -2.348) 3.775 33.860 ( 4.877 -7.567 -2.729) 9.408 34.533 ( -8.940 -15.017 5.676) 18.376 36.682 ( -1.590 0.779 0.829) 1.955 36.687 ( -0.407 -0.793 -1.186) 1.483 36.919 ( 3.081 -3.986 -0.170) 5.041 37.392 ( 1.428 -15.607 0.642) 15.685 39.840 ( 1.653 5.884 -0.766) 6.160 39.988 ( -0.923 3.396 1.167) 3.707 40.168 ( 1.367 14.690 0.723) 14.771 40.353 ( -1.013 10.592 0.117) 10.640 40.609 ( 9.365 15.505 -1.645) 18.188 40.701 ( 14.220 16.727 -0.276) 21.956 41.275 ( -12.319 27.189 2.070) 29.922 42.036 ( -42.918 30.548 -4.115) 52.840 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 13.029 -0.000) 13.029 1.854 ( 0.000 4.043 -0.000) 4.043 2.013 ( 0.000 6.810 0.000) 6.810 2.179 ( -0.000 12.267 0.000) 12.267 2.287 ( 0.000 7.035 -0.000) 7.035 2.519 ( -0.000 4.024 -0.000) 4.024 2.534 ( 0.000 -2.178 -0.000) 2.178 2.667 ( -0.000 8.812 0.000) 8.812 2.961 ( 0.000 15.427 0.000) 15.427 3.087 ( 0.000 6.168 -0.000) 6.168 3.127 ( -0.000 7.439 0.000) 7.439 3.318 ( 0.000 7.316 0.000) 7.316 3.492 ( -0.000 7.030 0.000) 7.030 3.577 ( -0.000 -0.024 -0.000) 0.024 3.651 ( 0.000 -3.882 0.000) 3.882 3.745 ( 0.000 -4.233 -0.000) 4.233 3.796 ( -0.000 15.032 0.000) 15.032 3.878 ( -0.000 6.873 0.000) 6.873 4.054 ( 0.000 -3.011 0.000) 3.011 4.095 ( -0.000 3.389 -0.000) 3.389 4.265 ( 0.000 -2.954 -0.000) 2.954 4.272 ( -0.000 2.018 0.000) 2.018 4.307 ( -0.000 2.163 0.000) 2.163 4.564 ( 0.000 -2.465 -0.000) 2.465 4.657 ( 0.000 -5.075 -0.000) 5.075 4.676 ( 0.000 10.445 0.000) 10.445 5.082 ( -0.000 -1.024 0.000) 1.024 5.202 ( 0.000 -11.774 -0.000) 11.774 5.240 ( 0.000 0.506 -0.000) 0.506 5.385 ( 0.000 3.526 0.000) 3.526 5.438 ( 0.000 3.692 0.000) 3.692 5.524 ( 0.000 -1.790 0.000) 1.790 5.778 ( 0.000 -3.210 -0.000) 3.210 5.831 ( -0.000 2.598 0.000) 2.598 5.876 ( 0.000 2.461 0.000) 2.461 6.022 ( 0.000 -3.988 -0.000) 3.988 6.200 ( 0.000 2.981 0.000) 2.981 6.230 ( 0.000 5.389 -0.000) 5.389 6.386 ( -0.000 3.276 0.000) 3.276 6.423 ( 0.000 6.235 -0.000) 6.235 6.817 ( 0.000 2.650 0.000) 2.650 6.857 ( -0.000 -1.422 -0.000) 1.422 6.893 ( 0.000 5.658 0.000) 5.658 6.928 ( 0.000 4.318 0.000) 4.318 6.980 ( -0.000 2.647 -0.000) 2.647 7.035 ( 0.000 2.587 0.000) 2.587 7.121 ( 0.000 9.149 0.000) 9.149 7.273 ( 0.000 9.984 0.000) 9.984 7.396 ( 0.000 2.977 0.000) 2.977 7.605 ( 0.000 -0.104 -0.000) 0.104 7.808 ( 0.000 0.230 -0.000) 0.230 7.918 ( -0.000 4.963 0.000) 4.963 7.978 ( 0.000 11.691 -0.000) 11.691 8.221 ( -0.000 -1.427 0.000) 1.427 8.283 ( 0.000 -8.299 -0.000) 8.299 8.385 ( 0.000 5.540 -0.000) 5.540 8.415 ( -0.000 -1.895 0.000) 1.895 9.152 ( 0.000 -9.010 -0.000) 9.010 9.247 ( -0.000 4.966 0.000) 4.966 9.373 ( 0.000 -11.735 -0.000) 11.735 12.565 ( -0.000 -2.344 0.000) 2.344 12.581 ( 0.000 -2.776 -0.000) 2.776 12.929 ( 0.000 -1.035 -0.000) 1.035 13.084 ( 0.000 -6.394 0.000) 6.394 13.227 ( 0.000 2.813 0.000) 2.813 13.293 ( 0.000 -0.078 -0.000) 0.078 13.413 ( 0.000 1.670 0.000) 1.670 13.702 ( 0.000 -2.149 -0.000) 2.149 17.796 ( 0.000 -0.460 -0.000) 0.460 17.832 ( -0.000 -0.595 -0.000) 0.595 17.833 ( -0.000 1.578 0.000) 1.578 17.890 ( 0.000 -1.295 -0.000) 1.295 18.761 ( -0.000 0.715 -0.000) 0.715 18.786 ( 0.000 0.564 0.000) 0.564 18.887 ( 0.000 0.531 -0.000) 0.531 18.897 ( -0.000 -0.989 0.000) 0.989 20.747 ( 0.000 -0.178 0.000) 0.178 20.868 ( 0.000 -3.492 0.000) 3.492 20.934 ( 0.000 -0.466 -0.000) 0.466 21.072 ( 0.000 -4.700 0.000) 4.700 21.477 ( 0.000 -1.988 0.000) 1.988 21.515 ( 0.000 -2.313 0.000) 2.313 21.579 ( 0.000 -2.850 -0.000) 2.850 21.592 ( 0.000 -2.317 0.000) 2.317 23.024 ( -0.000 -1.187 0.000) 1.187 23.080 ( 0.000 -0.747 -0.000) 0.747 23.135 ( 0.000 -1.608 -0.000) 1.608 23.155 ( 0.000 -2.820 -0.000) 2.820 29.561 ( 0.000 -1.263 -0.000) 1.263 29.572 ( 0.000 -1.241 -0.000) 1.241 29.603 ( -0.000 -1.538 0.000) 1.538 29.627 ( 0.000 -1.583 0.000) 1.583 33.534 ( -0.000 -7.089 -0.000) 7.089 33.674 ( -0.000 -2.270 0.000) 2.270 33.913 ( -0.000 -8.753 0.000) 8.753 34.430 ( 0.000 -12.457 -0.000) 12.457 36.665 ( 0.000 1.052 0.000) 1.052 36.682 ( 0.000 -0.858 0.000) 0.858 36.956 ( -0.000 -4.340 -0.000) 4.340 37.405 ( 0.000 -15.082 0.000) 15.082 39.873 ( 0.000 7.670 -0.000) 7.670 39.967 ( -0.000 5.182 0.000) 5.182 40.178 ( 0.000 14.084 0.000) 14.084 40.323 ( -0.000 9.599 -0.000) 9.599 40.814 ( 0.000 19.808 0.000) 19.808 40.915 ( -0.000 18.369 0.000) 18.369 41.209 ( 0.000 29.110 -0.000) 29.110 41.352 ( 0.000 23.653 -0.000) 23.653 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 20.400 0.000) 20.400 1.965 ( 0.000 21.294 0.000) 21.294 2.127 ( 0.000 -2.588 0.000) 2.588 2.285 ( 0.000 4.670 0.000) 4.670 2.360 ( 0.000 10.691 0.000) 10.691 2.418 ( 0.000 1.144 0.000) 1.144 2.588 ( 0.000 2.452 0.000) 2.452 2.653 ( 0.000 -6.061 0.000) 6.061 2.730 ( 0.000 -9.960 0.000) 9.960 2.937 ( 0.000 -0.634 0.000) 0.634 3.020 ( 0.000 -5.547 0.000) 5.547 3.219 ( 0.000 -1.013 0.000) 1.013 3.385 ( 0.000 -4.563 0.000) 4.563 3.481 ( 0.000 -2.738 0.000) 2.738 3.638 ( 0.000 1.994 0.000) 1.994 3.726 ( 0.000 15.933 0.000) 15.933 3.790 ( 0.000 9.553 0.000) 9.553 3.803 ( 0.000 5.135 0.000) 5.135 4.078 ( 0.000 0.467 0.000) 0.467 4.257 ( 0.000 14.256 0.000) 14.256 4.326 ( 0.000 4.374 0.000) 4.374 4.479 ( 0.000 6.046 0.000) 6.046 4.566 ( 0.000 -4.909 0.000) 4.909 4.707 ( 0.000 5.571 0.000) 5.571 4.722 ( 0.000 -3.636 0.000) 3.636 4.835 ( 0.000 -3.012 0.000) 3.012 5.021 ( 0.000 -3.929 0.000) 3.929 5.322 ( 0.000 0.986 0.000) 0.986 5.374 ( 0.000 -1.520 0.000) 1.520 5.429 ( 0.000 1.321 0.000) 1.321 5.501 ( 0.000 5.776 0.000) 5.776 5.675 ( 0.000 -1.432 0.000) 1.432 5.692 ( 0.000 -4.009 0.000) 4.009 5.791 ( 0.000 3.353 0.000) 3.353 6.006 ( 0.000 5.708 0.000) 5.708 6.026 ( 0.000 1.118 0.000) 1.118 6.242 ( 0.000 -1.676 0.000) 1.676 6.351 ( 0.000 4.946 0.000) 4.946 6.447 ( 0.000 0.626 0.000) 0.626 6.595 ( 0.000 1.630 0.000) 1.630 6.750 ( 0.000 -2.848 0.000) 2.848 6.809 ( 0.000 -5.393 0.000) 5.393 7.009 ( 0.000 -0.278 0.000) 0.278 7.012 ( 0.000 0.704 0.000) 0.704 7.142 ( 0.000 8.468 0.000) 8.468 7.168 ( 0.000 4.755 0.000) 4.755 7.286 ( 0.000 3.223 0.000) 3.223 7.343 ( 0.000 0.153 0.000) 0.153 7.475 ( 0.000 5.890 0.000) 5.890 7.512 ( 0.000 3.600 0.000) 3.600 7.688 ( 0.000 -6.014 0.000) 6.014 7.803 ( 0.000 1.543 0.000) 1.543 7.893 ( 0.000 5.113 0.000) 5.113 8.120 ( 0.000 1.837 0.000) 1.837 8.269 ( 0.000 6.923 0.000) 6.923 8.492 ( 0.000 8.516 0.000) 8.516 8.744 ( 0.000 -9.801 0.000) 9.801 8.918 ( 0.000 -3.504 0.000) 3.504 9.426 ( 0.000 1.134 0.000) 1.134 9.481 ( 0.000 1.704 0.000) 1.704 12.549 ( 0.000 1.787 0.000) 1.787 12.720 ( 0.000 0.766 0.000) 0.766 12.949 ( 0.000 -6.069 0.000) 6.069 12.954 ( 0.000 -4.281 0.000) 4.281 13.237 ( 0.000 -2.639 0.000) 2.639 13.266 ( 0.000 0.854 0.000) 0.854 13.441 ( 0.000 0.992 0.000) 0.992 13.453 ( 0.000 0.152 0.000) 0.152 17.725 ( 0.000 -0.022 0.000) 0.022 17.783 ( 0.000 0.073 0.000) 0.073 17.855 ( 0.000 0.838 0.000) 0.838 17.892 ( 0.000 -0.638 0.000) 0.638 18.773 ( 0.000 1.804 0.000) 1.804 18.800 ( 0.000 1.380 0.000) 1.380 18.831 ( 0.000 -0.017 0.000) 0.017 18.920 ( 0.000 -1.999 0.000) 1.999 20.700 ( 0.000 0.360 0.000) 0.360 20.750 ( 0.000 -1.163 0.000) 1.163 20.955 ( 0.000 -0.030 0.000) 0.030 21.001 ( 0.000 -1.491 0.000) 1.491 21.224 ( 0.000 0.212 0.000) 0.212 21.235 ( 0.000 -0.198 0.000) 0.198 21.666 ( 0.000 -1.054 0.000) 1.054 21.678 ( 0.000 -1.379 0.000) 1.379 22.962 ( 0.000 -0.618 0.000) 0.618 23.041 ( 0.000 0.132 0.000) 0.132 23.159 ( 0.000 -1.873 0.000) 1.873 23.181 ( 0.000 -1.575 0.000) 1.575 29.557 ( 0.000 -0.892 0.000) 0.892 29.560 ( 0.000 -1.108 0.000) 1.108 29.566 ( 0.000 -1.357 0.000) 1.357 29.576 ( 0.000 -1.116 0.000) 1.116 33.481 ( 0.000 0.202 0.000) 0.202 33.591 ( 0.000 -3.162 0.000) 3.162 33.600 ( 0.000 2.533 0.000) 2.533 34.358 ( 0.000 -22.665 0.000) 22.665 36.712 ( 0.000 -0.681 0.000) 0.681 36.745 ( 0.000 -1.592 0.000) 1.592 36.769 ( 0.000 0.358 0.000) 0.358 37.024 ( 0.000 -9.315 0.000) 9.315 39.984 ( 0.000 5.205 0.000) 5.205 40.086 ( 0.000 3.806 0.000) 3.806 40.113 ( 0.000 2.179 0.000) 2.179 40.171 ( 0.000 1.975 0.000) 1.975 40.831 ( 0.000 14.633 0.000) 14.633 40.974 ( 0.000 13.408 0.000) 13.408 42.285 ( 0.000 30.220 0.000) 30.220 43.516 ( 0.000 -10.535 0.000) 10.535 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 12.258 18.116 3.004) 22.079 2.035 ( 6.788 20.272 -3.887) 21.729 2.134 ( -0.031 7.777 -3.997) 8.744 2.332 ( 4.771 0.298 -1.122) 4.911 2.357 ( 1.739 3.536 4.800) 6.210 2.446 ( -5.158 0.659 0.776) 5.257 2.648 ( 3.209 -2.358 -3.050) 5.016 2.682 ( 15.167 1.646 6.746) 16.681 2.865 ( -0.921 -0.963 0.765) 1.537 2.974 ( 7.235 -6.737 2.326) 10.156 3.033 ( 2.927 -1.270 -6.637) 7.364 3.237 ( 2.081 -3.626 4.690) 6.283 3.323 ( -1.766 1.283 6.377) 6.740 3.518 ( 0.182 -2.194 -0.838) 2.356 3.563 ( -4.019 8.834 4.360) 10.640 3.757 ( 3.035 2.557 -1.386) 4.204 3.805 ( 0.909 10.833 -5.310) 12.098 3.893 ( 5.845 5.045 0.426) 7.733 4.075 ( 0.006 -1.208 0.082) 1.211 4.268 ( -0.697 20.001 -4.898) 20.604 4.306 ( -0.421 -0.118 -0.978) 1.071 4.413 ( -3.202 4.734 -1.419) 5.889 4.625 ( 0.668 -1.071 1.242) 1.771 4.647 ( -5.003 1.499 1.564) 5.452 4.737 ( 1.621 -7.858 -3.338) 8.690 4.833 ( -0.327 -3.450 -2.993) 4.579 4.931 ( -6.718 -4.415 -0.143) 8.040 5.278 ( -3.075 0.593 -4.098) 5.158 5.326 ( -3.821 3.808 6.622) 8.541 5.443 ( 0.437 -1.261 2.582) 2.906 5.507 ( -0.274 6.330 0.666) 6.371 5.676 ( 0.451 -0.853 -3.822) 3.942 5.706 ( -4.747 -3.119 5.169) 7.679 5.749 ( 2.658 -1.274 0.264) 2.960 5.984 ( -2.176 3.914 0.972) 4.583 6.020 ( -0.914 1.587 -1.574) 2.415 6.247 ( 0.573 0.737 1.854) 2.075 6.354 ( 0.604 5.525 0.142) 5.560 6.449 ( -0.339 0.049 -2.648) 2.670 6.570 ( -1.739 2.706 -0.643) 3.280 6.725 ( -1.154 -2.103 -3.097) 3.917 6.825 ( -0.027 -4.830 4.098) 6.334 6.934 ( -2.101 0.781 4.019) 4.602 7.023 ( -2.103 2.377 2.017) 3.760 7.158 ( -0.148 1.247 -1.706) 2.119 7.171 ( 1.502 5.013 -2.915) 5.990 7.267 ( 0.049 1.721 -0.268) 1.743 7.362 ( -1.048 5.520 -0.040) 5.619 7.469 ( 0.270 6.192 -2.154) 6.561 7.604 ( 7.055 1.965 1.218) 7.424 7.745 ( 4.323 1.032 -0.097) 4.445 7.792 ( 0.359 -1.049 -4.302) 4.442 7.942 ( 3.470 3.020 1.979) 5.008 8.189 ( 5.077 2.116 -1.233) 5.637 8.264 ( 0.056 5.336 -1.290) 5.490 8.525 ( 3.546 5.673 -2.016) 6.987 8.616 ( -10.630 -5.388 3.821) 12.515 8.899 ( -1.472 -2.636 0.170) 3.024 9.365 ( -5.005 0.037 0.683) 5.052 9.476 ( -1.136 1.867 0.906) 2.366 12.538 ( -0.799 1.619 0.246) 1.822 12.696 ( -2.435 1.208 2.361) 3.600 12.899 ( -2.458 -5.073 2.571) 6.195 12.964 ( -0.626 -6.762 3.283) 7.543 13.249 ( 0.997 0.402 -3.191) 3.368 13.312 ( 3.585 -0.855 -1.023) 3.825 13.381 ( -2.057 2.715 -0.807) 3.501 13.535 ( 4.141 -2.132 -3.111) 5.601 17.739 ( 1.176 -0.265 -0.842) 1.471 17.794 ( 0.933 -0.285 0.366) 1.042 17.860 ( 0.312 0.462 -0.075) 0.563 17.882 ( -0.809 -0.471 0.517) 1.070 18.775 ( 0.154 1.723 0.746) 1.884 18.803 ( 0.287 1.274 -0.670) 1.467 18.836 ( 0.544 0.103 -0.716) 0.905 18.920 ( -0.140 -1.826 -0.069) 1.833 20.710 ( 0.855 -0.222 0.415) 0.976 20.755 ( 0.715 -1.331 -0.013) 1.510 20.949 ( -0.556 -0.055 0.097) 0.567 20.998 ( -0.200 -1.763 -0.078) 1.776 21.264 ( 3.456 0.246 0.007) 3.465 21.293 ( 4.826 -0.801 -0.147) 4.894 21.639 ( -2.330 -0.956 0.121) 2.522 21.667 ( -1.266 -1.618 -0.200) 2.064 22.975 ( 1.147 -0.674 0.130) 1.337 23.033 ( -0.480 0.361 0.414) 0.729 23.151 ( -0.730 -1.781 -0.357) 1.957 23.169 ( -1.059 -1.447 0.293) 1.817 29.553 ( -0.348 -0.836 0.113) 0.913 29.556 ( -0.211 -0.923 -0.185) 0.965 29.568 ( 0.159 -1.284 0.281) 1.324 29.582 ( 0.432 -1.347 -0.289) 1.444 33.462 ( -1.023 -0.629 -3.812) 3.996 33.576 ( 0.222 -1.902 -0.255) 1.932 33.673 ( 4.302 -0.416 -0.319) 4.334 34.306 ( -4.479 -20.154 3.254) 20.901 36.694 ( -0.852 -0.222 -0.989) 1.325 36.743 ( -1.827 1.197 0.405) 2.221 36.782 ( 2.428 -2.578 0.864) 3.645 37.060 ( 2.559 -10.343 0.000) 10.654 39.930 ( -1.074 4.313 -0.192) 4.449 40.038 ( -1.474 1.008 0.437) 1.839 40.268 ( 11.525 7.575 -0.020) 13.792 40.374 ( 12.618 4.530 0.164) 13.408 40.820 ( 0.142 13.457 0.548) 13.469 40.922 ( -3.819 13.090 -1.156) 13.684 42.153 ( -11.826 28.402 0.767) 30.775 43.180 ( -28.576 -2.653 -1.903) 28.762 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 7.769 12.420 -0.816) 14.672 2.127 ( -0.585 14.810 -2.186) 14.982 2.181 ( 2.575 12.646 -1.317) 12.972 2.372 ( 2.484 4.272 -2.336) 5.466 2.421 ( 5.548 7.803 5.011) 10.807 2.444 ( 0.721 1.674 4.049) 4.440 2.746 ( 2.444 3.705 -3.256) 5.505 2.769 ( -3.645 1.938 1.011) 4.251 2.993 ( 9.379 -4.053 3.972) 10.962 3.122 ( 9.991 2.857 3.361) 10.922 3.211 ( 9.605 -0.482 -2.846) 10.030 3.333 ( 1.676 4.619 5.481) 7.361 3.361 ( 5.005 -2.586 3.314) 6.537 3.484 ( 2.919 1.253 -6.016) 6.803 3.556 ( 1.690 1.368 5.709) 6.109 3.766 ( -2.611 6.329 -3.211) 7.562 3.890 ( 7.264 0.740 -4.232) 8.439 3.974 ( 1.110 0.283 3.897) 4.062 4.084 ( -0.158 -2.744 -2.479) 3.701 4.157 ( -7.788 6.008 -3.825) 10.554 4.322 ( -0.425 10.404 1.148) 10.476 4.365 ( -1.134 6.828 -5.562) 8.880 4.496 ( -9.155 0.019 -2.892) 9.601 4.560 ( -2.612 -4.124 4.921) 6.932 4.714 ( -6.218 -1.451 -4.155) 7.618 4.809 ( -0.759 -7.496 -1.077) 7.611 4.865 ( 2.650 -6.225 0.602) 6.792 5.212 ( -8.079 4.911 9.178) 13.177 5.237 ( 0.052 0.918 -2.598) 2.756 5.443 ( -0.055 0.697 -0.966) 1.193 5.485 ( -0.890 2.685 1.633) 3.266 5.595 ( -4.693 -0.982 3.981) 6.232 5.700 ( 1.708 -1.184 -4.779) 5.211 5.821 ( 2.478 -2.740 -0.177) 3.698 5.935 ( -1.689 2.610 1.592) 3.493 5.982 ( -2.039 -0.295 -1.369) 2.474 6.267 ( 0.839 2.987 1.884) 3.630 6.386 ( 0.219 6.964 1.200) 7.070 6.410 ( -0.435 0.268 -1.786) 1.858 6.552 ( -0.124 3.841 -2.327) 4.493 6.717 ( 0.974 -3.085 -3.328) 4.641 6.806 ( -1.762 -4.599 3.779) 6.208 6.933 ( 0.889 0.541 3.894) 4.031 6.969 ( -2.127 0.809 1.710) 2.847 7.136 ( -0.555 4.047 -2.883) 5.000 7.173 ( -2.440 4.186 -4.053) 6.317 7.274 ( 0.061 3.477 -0.155) 3.481 7.373 ( 1.983 3.919 0.703) 4.448 7.488 ( 1.627 6.327 -0.772) 6.578 7.623 ( -2.609 0.218 3.063) 4.029 7.816 ( 2.203 2.439 -1.641) 3.674 7.948 ( 8.983 -1.981 -1.392) 9.304 8.000 ( 3.006 4.690 1.615) 5.800 8.255 ( -1.834 2.338 -0.011) 2.972 8.300 ( 5.852 5.693 -4.026) 9.103 8.375 ( -9.430 0.120 2.982) 9.891 8.609 ( 0.480 3.668 1.514) 3.997 8.911 ( 5.031 -2.260 -4.080) 6.860 9.246 ( -5.075 -1.889 0.781) 5.471 9.412 ( -5.032 1.132 2.287) 5.642 12.530 ( 0.351 1.358 -0.282) 1.431 12.626 ( -3.799 1.320 2.494) 4.733 12.870 ( -0.576 -4.717 2.231) 5.250 12.944 ( -1.230 -7.914 3.057) 8.572 13.270 ( 1.123 2.124 -1.765) 2.981 13.331 ( -1.205 1.628 -2.018) 2.859 13.401 ( 2.896 0.713 -0.794) 3.086 13.605 ( 2.453 -3.869 -2.366) 5.156 17.765 ( 1.267 -0.424 -0.977) 1.655 17.816 ( 0.720 -1.194 1.080) 1.764 17.852 ( -0.767 0.473 1.949) 2.148 17.874 ( -0.070 -0.482 -1.973) 2.033 18.780 ( 0.227 1.541 0.861) 1.780 18.806 ( 0.056 1.253 -0.786) 1.481 18.855 ( 1.220 -0.058 -0.973) 1.562 18.910 ( -0.797 -1.203 0.241) 1.463 20.733 ( 1.089 -0.133 -0.473) 1.194 20.784 ( 1.633 -2.168 0.788) 2.826 20.934 ( -0.701 -0.191 0.140) 0.739 20.992 ( -0.339 -2.561 -0.115) 2.586 21.359 ( 4.960 0.043 0.160) 4.962 21.414 ( 5.899 -1.799 -0.211) 6.171 21.570 ( -3.929 -0.807 -0.062) 4.011 21.620 ( -3.062 -2.034 -0.086) 3.678 23.002 ( 0.971 -0.300 0.042) 1.017 23.037 ( 1.060 -0.170 0.522) 1.194 23.129 ( -1.142 -1.541 -0.505) 1.983 23.138 ( -1.711 -1.045 0.353) 2.035 29.546 ( -0.282 -0.606 0.171) 0.690 29.552 ( -0.116 -0.819 -0.248) 0.864 29.571 ( 0.118 -1.263 0.177) 1.281 29.590 ( 0.299 -1.532 -0.181) 1.571 33.441 ( -0.478 -1.973 -2.848) 3.497 33.589 ( 0.692 -3.875 -0.475) 3.965 33.757 ( 3.119 -1.894 -1.074) 3.804 34.205 ( -4.320 -15.238 3.398) 16.199 36.680 ( -0.351 0.199 -0.631) 0.749 36.710 ( -1.055 2.005 0.385) 2.299 36.835 ( 2.103 -3.810 0.493) 4.379 37.106 ( 1.402 -11.528 0.058) 11.614 39.958 ( 3.256 5.070 -0.398) 6.039 40.046 ( 1.254 2.235 0.580) 2.627 40.451 ( 2.868 11.599 0.024) 11.948 40.560 ( 0.772 8.287 0.761) 8.357 40.917 ( 9.564 12.878 -0.560) 16.051 40.998 ( 17.286 10.983 -0.754) 20.494 41.815 ( -18.003 23.554 1.098) 29.666 42.430 ( -37.203 8.700 -1.910) 38.255 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 5.500 -0.000) 5.500 2.097 ( 0.000 17.968 -0.000) 17.968 2.201 ( 0.000 10.772 0.000) 10.772 2.379 ( -0.000 -0.956 0.000) 0.956 2.438 ( 0.000 10.985 -0.000) 10.985 2.572 ( 0.000 8.925 -0.000) 8.925 2.661 ( 0.000 9.408 -0.000) 9.408 2.816 ( 0.000 4.769 0.000) 4.769 3.083 ( 0.000 -4.699 0.000) 4.699 3.267 ( -0.000 4.631 0.000) 4.631 3.274 ( -0.000 13.352 -0.000) 13.352 3.367 ( 0.000 -1.191 0.000) 1.191 3.480 ( -0.000 -6.490 0.000) 6.490 3.556 ( -0.000 -3.368 -0.000) 3.368 3.653 ( -0.000 3.069 0.000) 3.069 3.696 ( 0.000 4.422 -0.000) 4.422 3.951 ( 0.000 -4.001 0.000) 4.001 3.981 ( -0.000 -5.325 0.000) 5.325 4.067 ( -0.000 5.335 -0.000) 5.335 4.068 ( 0.000 0.018 0.000) 0.018 4.261 ( 0.000 -3.609 -0.000) 3.609 4.336 ( 0.000 -0.029 0.000) 0.029 4.376 ( -0.000 11.035 0.000) 11.035 4.566 ( -0.000 5.079 -0.000) 5.079 4.617 ( 0.000 1.437 0.000) 1.437 4.813 ( 0.000 -0.235 -0.000) 0.235 4.914 ( -0.000 -13.144 0.000) 13.144 5.084 ( 0.000 -0.021 -0.000) 0.021 5.244 ( 0.000 2.265 -0.000) 2.265 5.458 ( 0.000 3.566 -0.000) 3.566 5.467 ( -0.000 -2.017 0.000) 2.017 5.536 ( 0.000 3.373 -0.000) 3.373 5.721 ( 0.000 -1.930 0.000) 1.930 5.842 ( 0.000 -1.230 -0.000) 1.230 5.923 ( -0.000 1.857 0.000) 1.857 5.953 ( 0.000 -1.990 -0.000) 1.990 6.280 ( 0.000 3.229 0.000) 3.229 6.353 ( 0.000 3.673 -0.000) 3.673 6.448 ( -0.000 4.736 -0.000) 4.736 6.541 ( 0.000 4.878 0.000) 4.878 6.745 ( 0.000 -6.185 0.000) 6.185 6.773 ( 0.000 -4.557 -0.000) 4.557 6.942 ( -0.000 0.499 -0.000) 0.499 6.963 ( 0.000 0.472 0.000) 0.472 7.107 ( -0.000 4.870 -0.000) 4.870 7.143 ( 0.000 3.347 0.000) 3.347 7.276 ( 0.000 6.762 0.000) 6.762 7.390 ( 0.000 2.869 0.000) 2.869 7.512 ( 0.000 5.708 0.000) 5.708 7.591 ( 0.000 -0.311 -0.000) 0.311 7.851 ( 0.000 3.531 -0.000) 3.531 7.986 ( -0.000 0.821 0.000) 0.821 8.138 ( -0.000 -2.512 -0.000) 2.512 8.182 ( 0.000 6.646 0.000) 6.646 8.255 ( 0.000 4.333 -0.000) 4.333 8.434 ( -0.000 -1.003 0.000) 1.003 8.545 ( 0.000 10.045 -0.000) 10.045 9.022 ( 0.000 -3.825 -0.000) 3.825 9.193 ( 0.000 -4.048 0.000) 4.048 9.318 ( -0.000 1.698 0.000) 1.698 12.556 ( -0.000 0.808 0.000) 0.808 12.560 ( 0.000 1.771 -0.000) 1.771 12.867 ( 0.000 -4.572 -0.000) 4.572 12.930 ( 0.000 -8.091 0.000) 8.091 13.286 ( 0.000 2.907 0.000) 2.907 13.311 ( 0.000 1.479 -0.000) 1.479 13.435 ( 0.000 0.692 0.000) 0.692 13.631 ( 0.000 -4.457 -0.000) 4.457 17.784 ( 0.000 -0.522 -0.000) 0.522 17.814 ( -0.000 -1.110 0.000) 1.110 17.857 ( -0.000 0.559 -0.000) 0.559 17.865 ( 0.000 -0.885 0.000) 0.885 18.784 ( 0.000 1.404 -0.000) 1.404 18.806 ( 0.000 1.384 0.000) 1.384 18.877 ( 0.000 -0.994 -0.000) 0.994 18.892 ( -0.000 -0.117 0.000) 0.117 20.747 ( 0.000 0.166 0.000) 0.166 20.806 ( 0.000 -2.302 0.000) 2.302 20.926 ( 0.000 -0.324 -0.000) 0.324 20.987 ( 0.000 -3.195 0.000) 3.195 21.456 ( -0.000 -0.243 0.000) 0.243 21.484 ( 0.000 -0.697 0.000) 0.697 21.524 ( 0.000 -2.293 -0.000) 2.293 21.544 ( -0.000 -2.151 0.000) 2.151 23.013 ( 0.000 0.017 0.000) 0.017 23.061 ( -0.000 -1.133 -0.000) 1.133 23.110 ( 0.000 -0.726 0.000) 0.726 23.113 ( 0.000 -1.100 -0.000) 1.100 29.543 ( 0.000 -0.507 -0.000) 0.507 29.550 ( 0.000 -0.782 -0.000) 0.782 29.573 ( 0.000 -1.255 0.000) 1.255 29.593 ( 0.000 -1.590 0.000) 1.590 33.435 ( 0.000 -2.538 -0.000) 2.538 33.597 ( -0.000 -5.061 0.000) 5.061 33.792 ( 0.000 -2.498 0.000) 2.498 34.156 ( 0.000 -12.767 -0.000) 12.767 36.676 ( 0.000 0.343 0.000) 0.343 36.699 ( 0.000 2.261 0.000) 2.261 36.860 ( -0.000 -4.412 -0.000) 4.412 37.120 ( 0.000 -11.818 0.000) 11.818 40.021 ( 0.000 5.908 -0.000) 5.908 40.053 ( -0.000 3.622 0.000) 3.622 40.464 ( 0.000 11.579 -0.000) 11.579 40.519 ( -0.000 8.385 -0.000) 8.385 41.200 ( 0.000 16.204 0.000) 16.204 41.272 ( -0.000 14.670 0.000) 14.670 41.680 ( 0.000 15.684 -0.000) 15.684 41.730 ( 0.000 12.434 -0.000) 12.434 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 14.418 0.000) 14.418 2.043 ( 0.000 -6.010 0.000) 6.010 2.287 ( 0.000 9.098 0.000) 9.098 2.363 ( 0.000 3.687 0.000) 3.687 2.392 ( 0.000 -3.285 0.000) 3.285 2.496 ( 0.000 -8.442 0.000) 8.442 2.581 ( 0.000 0.818 0.000) 0.818 2.612 ( 0.000 12.483 0.000) 12.483 2.614 ( 0.000 -1.901 0.000) 1.901 2.869 ( 0.000 -9.932 0.000) 9.932 2.967 ( 0.000 3.869 0.000) 3.869 3.101 ( 0.000 -8.488 0.000) 8.488 3.356 ( 0.000 2.663 0.000) 2.663 3.424 ( 0.000 -3.046 0.000) 3.046 3.686 ( 0.000 2.769 0.000) 2.769 3.746 ( 0.000 -2.614 0.000) 2.614 4.006 ( 0.000 8.393 0.000) 8.393 4.019 ( 0.000 4.772 0.000) 4.772 4.098 ( 0.000 3.823 0.000) 3.823 4.289 ( 0.000 -6.809 0.000) 6.809 4.412 ( 0.000 3.229 0.000) 3.229 4.515 ( 0.000 -2.457 0.000) 2.457 4.522 ( 0.000 2.592 0.000) 2.592 4.599 ( 0.000 -5.158 0.000) 5.158 4.806 ( 0.000 -0.874 0.000) 0.874 4.829 ( 0.000 -2.536 0.000) 2.536 5.135 ( 0.000 14.631 0.000) 14.631 5.313 ( 0.000 -4.722 0.000) 4.722 5.373 ( 0.000 6.173 0.000) 6.173 5.529 ( 0.000 -3.256 0.000) 3.256 5.584 ( 0.000 10.412 0.000) 10.412 5.596 ( 0.000 -2.033 0.000) 2.033 5.636 ( 0.000 -2.149 0.000) 2.149 5.789 ( 0.000 -6.119 0.000) 6.119 6.031 ( 0.000 0.714 0.000) 0.714 6.072 ( 0.000 -2.067 0.000) 2.067 6.332 ( 0.000 9.092 0.000) 9.092 6.424 ( 0.000 0.945 0.000) 0.945 6.497 ( 0.000 3.477 0.000) 3.477 6.581 ( 0.000 -3.274 0.000) 3.274 6.698 ( 0.000 -1.619 0.000) 1.619 6.704 ( 0.000 -2.851 0.000) 2.851 7.020 ( 0.000 0.669 0.000) 0.669 7.022 ( 0.000 0.365 0.000) 0.365 7.252 ( 0.000 2.313 0.000) 2.313 7.262 ( 0.000 3.973 0.000) 3.973 7.299 ( 0.000 -0.575 0.000) 0.575 7.356 ( 0.000 -1.624 0.000) 1.624 7.576 ( 0.000 1.916 0.000) 1.916 7.580 ( 0.000 1.669 0.000) 1.669 7.642 ( 0.000 5.782 0.000) 5.782 7.791 ( 0.000 -4.297 0.000) 4.297 8.017 ( 0.000 6.056 0.000) 6.056 8.111 ( 0.000 -2.581 0.000) 2.581 8.366 ( 0.000 2.849 0.000) 2.849 8.467 ( 0.000 -8.296 0.000) 8.296 8.711 ( 0.000 6.592 0.000) 6.592 8.832 ( 0.000 -4.799 0.000) 4.799 9.472 ( 0.000 2.170 0.000) 2.170 9.497 ( 0.000 -0.146 0.000) 0.146 12.626 ( 0.000 5.179 0.000) 5.179 12.721 ( 0.000 -1.957 0.000) 1.957 12.835 ( 0.000 -2.973 0.000) 2.973 12.859 ( 0.000 -3.851 0.000) 3.851 13.232 ( 0.000 1.374 0.000) 1.374 13.264 ( 0.000 -1.133 0.000) 1.133 13.453 ( 0.000 0.336 0.000) 0.336 13.457 ( 0.000 0.060 0.000) 0.060 17.738 ( 0.000 1.251 0.000) 1.251 17.768 ( 0.000 -1.334 0.000) 1.334 17.869 ( 0.000 0.580 0.000) 0.580 17.880 ( 0.000 -0.510 0.000) 0.510 18.806 ( 0.000 1.322 0.000) 1.322 18.824 ( 0.000 -0.246 0.000) 0.246 18.836 ( 0.000 1.615 0.000) 1.615 18.877 ( 0.000 -2.074 0.000) 2.074 20.711 ( 0.000 0.648 0.000) 0.648 20.727 ( 0.000 -0.950 0.000) 0.950 20.959 ( 0.000 0.421 0.000) 0.421 20.974 ( 0.000 -1.013 0.000) 1.013 21.228 ( 0.000 0.167 0.000) 0.167 21.231 ( 0.000 -0.149 0.000) 0.149 21.652 ( 0.000 -0.266 0.000) 0.266 21.656 ( 0.000 -0.676 0.000) 0.676 22.979 ( 0.000 1.934 0.000) 1.934 23.024 ( 0.000 -1.858 0.000) 1.858 23.136 ( 0.000 -0.081 0.000) 0.081 23.150 ( 0.000 -1.242 0.000) 1.242 29.544 ( 0.000 -0.330 0.000) 0.330 29.545 ( 0.000 -0.452 0.000) 0.452 29.548 ( 0.000 -0.121 0.000) 0.121 29.556 ( 0.000 -0.737 0.000) 0.737 33.496 ( 0.000 1.257 0.000) 1.257 33.533 ( 0.000 -2.292 0.000) 2.292 33.703 ( 0.000 7.983 0.000) 7.983 33.950 ( 0.000 -15.874 0.000) 15.874 36.704 ( 0.000 0.023 0.000) 0.023 36.716 ( 0.000 -1.045 0.000) 1.045 36.800 ( 0.000 2.533 0.000) 2.533 36.878 ( 0.000 -5.107 0.000) 5.107 40.074 ( 0.000 3.277 0.000) 3.277 40.115 ( 0.000 -0.567 0.000) 0.567 40.166 ( 0.000 2.296 0.000) 2.296 40.192 ( 0.000 -0.075 0.000) 0.075 41.076 ( 0.000 8.037 0.000) 8.037 41.140 ( 0.000 2.321 0.000) 2.321 42.840 ( 0.000 22.883 0.000) 22.883 43.243 ( 0.000 -15.958 0.000) 15.958 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 9.216 13.486 2.218) 16.484 2.165 ( 7.920 -5.054 1.949) 9.595 2.329 ( 4.553 6.608 -0.909) 8.076 2.393 ( 1.444 2.624 -2.328) 3.794 2.402 ( 4.635 3.479 -0.065) 5.796 2.545 ( 4.007 -6.785 -0.348) 7.888 2.552 ( 0.485 10.333 2.198) 10.575 2.722 ( 6.293 0.410 5.314) 8.247 2.790 ( 11.479 -4.326 0.752) 12.290 2.865 ( 2.322 -4.884 -2.985) 6.177 3.004 ( 3.773 0.126 -1.732) 4.154 3.079 ( 0.683 -7.063 5.384) 8.907 3.401 ( 4.350 4.541 0.666) 6.324 3.475 ( 2.500 -2.419 -0.576) 3.526 3.678 ( -0.854 4.020 0.713) 4.171 3.753 ( 0.582 -2.933 1.315) 3.267 3.934 ( -4.548 5.640 -2.106) 7.545 4.029 ( -2.601 -3.260 -0.939) 4.275 4.099 ( 1.764 9.914 -0.105) 10.070 4.302 ( 0.324 -7.339 0.892) 7.400 4.425 ( -0.041 4.711 0.499) 4.737 4.494 ( 0.466 4.318 -5.826) 7.267 4.573 ( 1.837 -4.797 -0.548) 5.166 4.586 ( -1.783 -2.337 -1.593) 3.343 4.713 ( -7.141 -1.339 -5.309) 8.999 4.740 ( -5.521 -5.264 2.016) 7.890 5.044 ( -7.282 13.335 2.094) 15.337 5.241 ( -5.810 -5.732 3.184) 8.761 5.380 ( 0.346 6.060 -0.404) 6.083 5.544 ( 0.735 -5.604 -0.286) 5.659 5.558 ( -1.578 7.649 -1.824) 8.020 5.603 ( -1.565 -0.024 1.981) 2.524 5.680 ( 2.812 -0.218 -2.077) 3.502 5.740 ( -2.057 -2.700 0.678) 3.462 6.014 ( -1.740 0.815 0.536) 1.994 6.050 ( -2.052 -1.226 2.451) 3.424 6.323 ( -0.828 6.320 -1.266) 6.499 6.418 ( -1.059 -1.428 -2.489) 3.059 6.496 ( 0.626 5.135 0.857) 5.244 6.587 ( 0.678 -1.935 0.894) 2.237 6.687 ( -0.473 -0.684 -1.613) 1.815 6.720 ( 0.186 -3.731 3.065) 4.832 6.965 ( -2.790 1.993 3.441) 4.858 7.010 ( -2.579 -2.025 2.164) 3.929 7.174 ( -0.787 0.892 -2.054) 2.373 7.199 ( -0.826 -1.319 -2.117) 2.628 7.392 ( 1.444 8.044 -0.420) 8.183 7.462 ( 1.296 2.060 -0.199) 2.442 7.569 ( 0.826 3.457 -2.585) 4.395 7.633 ( 2.955 -1.265 -0.813) 3.316 7.728 ( 7.818 -0.193 -0.665) 7.848 7.767 ( 1.249 -1.948 1.549) 2.784 8.045 ( 2.309 6.047 0.148) 6.474 8.155 ( 3.484 -3.946 -0.144) 5.266 8.357 ( -0.470 2.979 -0.295) 3.030 8.438 ( -2.506 -5.974 0.990) 6.553 8.707 ( 0.144 6.831 -0.899) 6.892 8.823 ( -0.473 -4.437 -0.918) 4.556 9.415 ( -4.530 3.742 0.617) 5.908 9.480 ( -2.330 -1.737 0.303) 2.922 12.615 ( -0.883 5.490 1.275) 5.705 12.723 ( -0.128 -0.894 2.312) 2.482 12.782 ( -3.780 -3.169 3.042) 5.795 12.838 ( -2.157 -5.024 3.917) 6.726 13.267 ( 2.616 1.399 -3.809) 4.828 13.296 ( 2.720 -1.111 -2.754) 4.027 13.436 ( -0.382 2.513 -1.342) 2.874 13.487 ( 1.744 -2.406 -2.246) 3.725 17.747 ( 0.731 0.977 -0.238) 1.243 17.774 ( 0.483 -1.392 0.310) 1.505 17.869 ( -0.110 0.336 0.414) 0.544 17.875 ( -0.472 -0.249 0.567) 0.778 18.808 ( 0.166 1.396 0.206) 1.420 18.827 ( 0.270 -0.110 -0.471) 0.554 18.841 ( 0.423 1.367 -0.331) 1.469 18.880 ( 0.172 -1.968 -0.140) 1.981 20.715 ( 0.533 0.563 0.140) 0.788 20.731 ( 0.491 -0.970 -0.041) 1.088 20.952 ( -0.598 0.427 0.051) 0.737 20.968 ( -0.528 -1.105 -0.025) 1.226 21.270 ( 3.597 0.350 -0.008) 3.614 21.279 ( 4.033 -0.520 -0.024) 4.067 21.629 ( -2.053 0.012 0.028) 2.053 21.639 ( -1.658 -0.971 -0.064) 1.923 22.987 ( 0.745 1.547 0.020) 1.717 23.023 ( -0.005 -1.419 0.059) 1.420 23.129 ( -0.599 -0.104 -0.120) 0.620 23.142 ( -0.779 -1.108 0.101) 1.358 29.542 ( -0.108 -0.242 -0.081) 0.277 29.543 ( -0.124 -0.314 0.020) 0.339 29.551 ( 0.159 -0.209 0.124) 0.291 29.559 ( 0.216 -0.839 -0.057) 0.868 33.473 ( -1.679 1.590 -0.908) 2.484 33.521 ( -0.948 -2.798 0.328) 2.973 33.734 ( 2.354 6.330 -0.528) 6.774 33.944 ( -0.536 -13.933 1.014) 13.980 36.699 ( -0.179 0.783 -0.226) 0.834 36.728 ( 0.671 -1.891 0.395) 2.045 36.795 ( -0.148 3.301 0.167) 3.308 36.892 ( 1.031 -6.098 0.011) 6.185 40.005 ( -1.047 2.783 0.044) 2.974 40.042 ( -1.188 -0.740 0.251) 1.422 40.390 ( 14.544 3.975 -0.112) 15.077 40.428 ( 14.929 0.429 0.024) 14.935 41.041 ( -2.136 7.032 0.081) 7.350 41.089 ( -3.680 2.778 -0.426) 4.631 42.669 ( -15.274 20.809 0.066) 25.813 43.016 ( -19.935 -12.462 -0.568) 23.516 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.951 8.753 1.730) 8.973 2.228 ( -0.753 -4.582 3.222) 5.652 2.441 ( 3.371 8.889 -4.109) 10.357 2.481 ( 0.319 10.010 -0.531) 10.029 2.569 ( 10.054 6.073 0.494) 11.756 2.613 ( 6.558 7.611 3.145) 10.527 2.704 ( 9.554 -5.520 -0.126) 11.035 2.773 ( -1.164 -5.104 7.908) 9.484 2.932 ( 8.582 2.699 -4.045) 9.864 3.084 ( 11.176 -10.590 -2.400) 15.582 3.197 ( 14.066 3.254 0.099) 14.438 3.235 ( 9.899 -1.955 2.082) 10.303 3.474 ( -2.719 4.481 2.986) 6.033 3.534 ( 7.874 1.810 2.379) 8.422 3.654 ( -1.244 5.729 -0.949) 5.939 3.768 ( 0.131 -5.854 -0.009) 5.855 3.825 ( -4.818 -0.473 -2.740) 5.563 3.929 ( -5.497 -5.908 -2.111) 8.341 4.122 ( -0.920 5.941 0.652) 6.047 4.231 ( -7.977 0.697 1.243) 8.103 4.340 ( -7.894 -3.015 0.460) 8.463 4.400 ( -11.996 -4.405 3.252) 13.186 4.537 ( 3.473 4.477 -4.207) 7.057 4.591 ( 2.860 1.696 -7.220) 7.949 4.666 ( 3.486 -1.106 -4.726) 5.976 4.728 ( 2.178 -5.774 -2.017) 6.492 4.878 ( -7.472 11.623 3.453) 14.242 5.102 ( -7.156 -8.553 6.410) 12.863 5.364 ( -2.074 5.065 -1.097) 5.582 5.470 ( -5.660 -2.552 2.137) 6.566 5.542 ( 0.030 3.624 -2.041) 4.159 5.577 ( 0.071 -0.297 -0.090) 0.318 5.708 ( 0.893 2.399 -2.547) 3.611 5.770 ( 2.501 -2.433 -0.538) 3.531 5.968 ( -2.075 1.246 0.913) 2.587 5.991 ( -3.275 -0.120 2.527) 4.138 6.306 ( -0.425 1.938 0.006) 1.984 6.372 ( -2.248 -3.293 -1.684) 4.328 6.539 ( 2.619 6.239 1.525) 6.936 6.606 ( 0.868 0.673 -1.244) 1.659 6.674 ( -0.451 -0.851 -0.679) 1.178 6.707 ( -1.350 -3.822 2.554) 4.791 6.943 ( 0.021 0.531 2.925) 2.973 6.959 ( -1.453 -0.967 2.020) 2.669 7.178 ( -0.279 0.840 -2.171) 2.344 7.191 ( -1.119 -0.441 -2.901) 3.140 7.383 ( 0.029 5.374 -0.318) 5.384 7.442 ( -1.275 0.599 0.378) 1.458 7.584 ( 0.636 2.918 -0.472) 3.023 7.619 ( -1.402 -0.701 0.303) 1.596 7.872 ( 4.593 2.253 -0.140) 5.118 7.908 ( 5.930 -1.544 -0.946) 6.200 8.106 ( 3.352 5.651 1.021) 6.649 8.223 ( 1.643 -4.715 0.804) 5.057 8.365 ( 1.316 1.172 -0.876) 1.968 8.378 ( -2.434 -0.156 0.174) 2.445 8.732 ( 1.886 6.674 -0.744) 6.975 8.845 ( 3.744 -4.100 -2.611) 6.136 9.299 ( -5.684 5.113 0.785) 7.685 9.394 ( -5.332 -3.055 0.987) 6.224 12.604 ( -0.034 5.503 1.034) 5.600 12.683 ( -3.470 3.912 2.880) 5.970 12.745 ( 0.090 -6.951 2.124) 7.269 12.792 ( -2.124 -6.140 2.829) 7.086 13.312 ( 1.768 1.860 -2.189) 3.372 13.341 ( 1.026 -0.721 -2.098) 2.444 13.442 ( 1.079 3.061 -1.698) 3.663 13.519 ( 1.272 -4.148 -2.367) 4.943 17.765 ( 0.928 0.506 -0.357) 1.116 17.786 ( 0.469 -1.404 0.544) 1.577 17.860 ( -0.563 0.336 1.063) 1.249 17.867 ( -0.354 -0.292 -0.255) 0.525 18.813 ( 0.211 1.500 0.201) 1.528 18.833 ( 0.216 0.349 -0.511) 0.655 18.852 ( 0.538 0.532 -0.331) 0.825 18.881 ( -0.048 -1.553 -0.052) 1.555 20.736 ( 1.284 0.473 -0.103) 1.373 20.752 ( 1.310 -1.058 0.190) 1.694 20.935 ( -0.866 0.362 0.071) 0.941 20.952 ( -0.861 -1.303 -0.045) 1.563 21.366 ( 4.893 0.614 0.025) 4.931 21.384 ( 5.241 -1.140 -0.027) 5.364 21.566 ( -3.658 0.375 -0.025) 3.677 21.584 ( -3.366 -1.339 -0.040) 3.623 23.008 ( 0.971 0.826 0.037) 1.275 23.028 ( 0.491 -0.872 0.044) 1.002 23.112 ( -0.850 -0.073 -0.177) 0.871 23.120 ( -1.139 -0.707 0.148) 1.349 29.540 ( -0.073 -0.068 0.044) 0.109 29.541 ( -0.070 -0.214 -0.081) 0.239 29.554 ( 0.115 -0.258 0.077) 0.293 29.563 ( 0.163 -0.988 -0.034) 1.002 33.439 ( -1.224 1.594 -0.693) 2.126 33.500 ( -0.873 -4.016 0.149) 4.112 33.782 ( 1.812 4.189 -0.536) 4.596 33.933 ( -0.497 -10.353 0.993) 10.412 36.698 ( 0.045 1.523 -0.104) 1.527 36.737 ( 0.181 -1.380 0.225) 1.410 36.800 ( 0.466 2.685 0.210) 2.733 36.911 ( 0.613 -7.308 0.020) 7.334 40.042 ( 3.668 2.802 -0.052) 4.616 40.071 ( 2.931 0.000 0.243) 2.941 40.633 ( 3.494 5.491 -0.023) 6.508 40.671 ( 2.710 1.939 0.445) 3.362 41.113 ( 11.910 5.591 -0.245) 13.159 41.143 ( 15.590 2.806 -0.581) 15.852 42.229 ( -23.767 15.705 0.197) 28.488 42.454 ( -29.933 -5.452 -0.605) 30.432 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 6.482 -0.000) 6.482 2.214 ( 0.000 -5.578 -0.000) 5.578 2.465 ( 0.000 12.956 -0.000) 12.956 2.504 ( 0.000 12.507 -0.000) 12.507 2.588 ( -0.000 1.839 0.000) 1.839 2.759 ( -0.000 -7.747 0.000) 7.747 2.778 ( 0.000 7.048 -0.000) 7.048 2.818 ( 0.000 -0.302 0.000) 0.302 3.112 ( 0.000 11.224 -0.000) 11.224 3.277 ( 0.000 -1.695 -0.000) 1.695 3.315 ( -0.000 -4.576 0.000) 4.576 3.331 ( 0.000 -4.658 0.000) 4.658 3.529 ( 0.000 4.310 0.000) 4.310 3.586 ( -0.000 12.421 0.000) 12.421 3.707 ( 0.000 1.674 0.000) 1.674 3.734 ( -0.000 -1.353 0.000) 1.353 3.767 ( 0.000 -14.298 -0.000) 14.298 3.810 ( 0.000 -8.052 -0.000) 8.052 4.114 ( -0.000 2.339 -0.000) 2.339 4.118 ( 0.000 1.634 0.000) 1.634 4.176 ( 0.000 -0.877 -0.000) 0.877 4.248 ( 0.000 -6.121 0.000) 6.121 4.589 ( 0.000 5.306 0.000) 5.306 4.664 ( 0.000 0.457 -0.000) 0.457 4.739 ( 0.000 -2.708 -0.000) 2.708 4.751 ( -0.000 -1.852 0.000) 1.852 4.769 ( -0.000 11.588 -0.000) 11.588 4.993 ( 0.000 -8.059 -0.000) 8.059 5.326 ( 0.000 3.797 -0.000) 3.797 5.407 ( 0.000 -3.673 -0.000) 3.673 5.549 ( 0.000 3.725 -0.000) 3.725 5.574 ( -0.000 0.220 0.000) 0.220 5.718 ( 0.000 2.632 -0.000) 2.632 5.801 ( 0.000 -3.133 0.000) 3.133 5.943 ( -0.000 0.568 0.000) 0.568 5.949 ( 0.000 0.499 -0.000) 0.499 6.303 ( -0.000 0.283 -0.000) 0.283 6.343 ( 0.000 -2.846 0.000) 2.846 6.576 ( -0.000 5.278 -0.000) 5.278 6.617 ( 0.000 1.736 0.000) 1.736 6.668 ( 0.000 -1.013 0.000) 1.013 6.689 ( 0.000 -2.955 -0.000) 2.955 6.942 ( -0.000 0.084 -0.000) 0.084 6.956 ( 0.000 -0.895 0.000) 0.895 7.155 ( -0.000 1.027 -0.000) 1.027 7.168 ( 0.000 -0.090 -0.000) 0.090 7.394 ( 0.000 3.915 -0.000) 3.915 7.431 ( 0.000 0.415 0.000) 0.415 7.594 ( -0.000 2.231 0.000) 2.231 7.606 ( 0.000 0.901 -0.000) 0.901 7.920 ( -0.000 2.511 -0.000) 2.511 7.960 ( 0.000 -1.870 0.000) 1.870 8.161 ( 0.000 3.168 -0.000) 3.168 8.226 ( 0.000 -1.968 0.000) 1.968 8.344 ( 0.000 3.277 -0.000) 3.277 8.393 ( -0.000 -1.864 0.000) 1.864 8.759 ( 0.000 9.530 0.000) 9.530 8.923 ( 0.000 -6.188 -0.000) 6.188 9.223 ( 0.000 4.810 0.000) 4.810 9.310 ( 0.000 -2.577 0.000) 2.577 12.617 ( 0.000 4.800 -0.000) 4.800 12.630 ( 0.000 4.576 0.000) 4.576 12.755 ( 0.000 -5.671 0.000) 5.671 12.763 ( -0.000 -7.440 0.000) 7.440 13.337 ( 0.000 1.487 0.000) 1.487 13.340 ( 0.000 0.964 -0.000) 0.964 13.458 ( 0.000 2.090 0.000) 2.090 13.532 ( 0.000 -4.617 -0.000) 4.617 17.779 ( 0.000 0.098 0.000) 0.098 17.790 ( 0.000 -0.989 0.000) 0.989 17.856 ( -0.000 -0.012 -0.000) 0.012 17.859 ( 0.000 -0.165 0.000) 0.165 18.816 ( 0.000 1.539 -0.000) 1.539 18.835 ( 0.000 0.615 0.000) 0.615 18.859 ( 0.000 -0.146 0.000) 0.146 18.879 ( -0.000 -1.107 0.000) 1.107 20.754 ( 0.000 0.546 0.000) 0.546 20.771 ( 0.000 -1.143 0.000) 1.143 20.924 ( 0.000 0.247 0.000) 0.247 20.940 ( 0.000 -1.412 0.000) 1.412 21.461 ( -0.000 0.681 0.000) 0.681 21.480 ( 0.000 -0.415 0.000) 0.415 21.489 ( 0.000 -0.488 -0.000) 0.488 21.506 ( 0.000 -1.436 0.000) 1.436 23.020 ( 0.000 0.610 0.000) 0.610 23.037 ( -0.000 -1.038 -0.000) 1.038 23.102 ( -0.000 -0.133 0.000) 0.133 23.102 ( 0.000 -0.170 -0.000) 0.170 29.539 ( 0.000 0.033 -0.000) 0.033 29.540 ( 0.000 -0.195 0.000) 0.195 29.555 ( 0.000 -0.273 0.000) 0.273 29.565 ( 0.000 -1.054 0.000) 1.054 33.424 ( 0.000 1.462 -0.000) 1.462 33.490 ( 0.000 -4.559 0.000) 4.559 33.802 ( 0.000 3.316 -0.000) 3.316 33.928 ( 0.000 -8.694 0.000) 8.694 36.699 ( 0.000 1.808 0.000) 1.808 36.739 ( 0.000 -0.550 0.000) 0.550 36.807 ( 0.000 1.661 0.000) 1.661 36.918 ( 0.000 -7.665 0.000) 7.665 40.106 ( 0.000 2.116 -0.000) 2.116 40.110 ( -0.000 1.514 0.000) 1.514 40.633 ( 0.000 4.359 0.000) 4.359 40.644 ( -0.000 3.073 0.000) 3.073 41.454 ( 0.000 7.384 0.000) 7.384 41.483 ( -0.000 4.773 0.000) 4.773 41.880 ( 0.000 4.282 0.000) 4.282 41.887 ( -0.000 3.290 -0.000) 3.290 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 9.237 0.000 25.937) 27.532 0.574 ( -7.051 0.000 26.614) 27.532 1.174 ( -25.699 0.000 51.778) 57.805 1.591 ( -7.069 0.000 -20.364) 21.556 1.597 ( 4.466 0.000 -16.351) 16.950 2.152 ( -8.445 0.000 6.842) 10.869 2.365 ( 12.145 0.000 3.298) 12.585 2.429 ( -2.332 0.000 4.341) 4.928 2.588 ( 3.160 0.000 3.408) 4.647 2.966 ( 0.571 0.000 -0.445) 0.724 3.149 ( 0.527 0.000 -4.859) 4.887 3.263 ( 7.714 0.000 -4.172) 8.769 3.316 ( 5.809 0.000 -5.158) 7.768 3.404 ( 2.635 0.000 0.843) 2.767 3.439 ( -7.762 0.000 -5.047) 9.259 3.517 ( -2.755 0.000 -2.735) 3.882 3.569 ( 15.889 0.000 -3.557) 16.283 3.581 ( -1.131 0.000 0.847) 1.412 3.693 ( -8.753 0.000 -5.271) 10.217 3.843 ( -1.251 0.000 -5.385) 5.528 3.915 ( -0.929 0.000 8.820) 8.869 4.520 ( -1.795 0.000 4.767) 5.094 4.664 ( -0.058 0.000 -8.304) 8.304 4.688 ( 6.714 0.000 -6.531) 9.367 4.802 ( -0.219 0.000 -0.024) 0.220 4.891 ( 2.512 0.000 2.687) 3.678 5.090 ( 1.634 0.000 -8.959) 9.106 5.127 ( -1.319 0.000 -8.690) 8.789 5.444 ( 4.775 0.000 2.253) 5.280 5.534 ( 4.011 0.000 -0.814) 4.093 5.612 ( -2.876 0.000 5.242) 5.979 5.767 ( -9.108 0.000 7.315) 11.682 5.828 ( -4.429 0.000 3.857) 5.873 5.949 ( -1.377 0.000 -5.993) 6.150 6.013 ( 1.276 0.000 4.189) 4.379 6.120 ( 2.810 0.000 0.081) 2.812 6.198 ( 0.030 0.000 0.930) 0.931 6.201 ( -0.460 0.000 3.841) 3.868 6.426 ( -0.704 0.000 -1.028) 1.246 6.559 ( 3.472 0.000 -7.159) 7.957 6.751 ( 0.230 0.000 3.025) 3.033 6.816 ( 3.724 0.000 -2.441) 4.453 6.891 ( 1.913 0.000 -0.640) 2.018 6.928 ( 0.392 0.000 -0.758) 0.853 7.010 ( 2.714 0.000 2.087) 3.424 7.086 ( -22.904 0.000 -1.209) 22.936 7.177 ( -6.659 0.000 -1.832) 6.907 7.186 ( 7.877 0.000 -2.759) 8.346 7.426 ( 2.259 0.000 4.811) 5.315 7.601 ( -1.617 0.000 -0.936) 1.868 7.641 ( -19.421 0.000 11.321) 22.479 7.747 ( -0.317 0.000 6.417) 6.425 7.861 ( 2.541 0.000 3.105) 4.012 7.913 ( -0.284 0.000 -0.604) 0.667 8.065 ( -10.198 0.000 2.698) 10.549 8.329 ( 24.556 0.000 -13.580) 28.061 8.581 ( 2.752 0.000 5.985) 6.587 8.832 ( 40.546 0.000 2.794) 40.642 9.032 ( -1.413 0.000 1.983) 2.435 9.392 ( -3.878 0.000 -11.509) 12.145 12.704 ( -2.468 0.000 6.425) 6.883 12.785 ( -0.807 0.000 5.948) 6.002 12.946 ( 1.643 0.000 -1.138) 1.998 13.014 ( -0.192 0.000 -3.209) 3.215 13.249 ( -3.398 0.000 4.119) 5.339 13.370 ( -0.074 0.000 1.138) 1.141 13.382 ( 2.744 0.000 -4.726) 5.465 13.651 ( 1.340 0.000 -6.389) 6.528 17.734 ( 0.382 0.000 0.363) 0.527 17.757 ( -0.404 0.000 -0.535) 0.670 17.915 ( 2.226 0.000 2.875) 3.636 18.057 ( -16.943 0.000 -2.401) 17.112 18.705 ( 0.893 0.000 0.377) 0.970 18.761 ( -0.587 0.000 -1.558) 1.665 18.868 ( -0.735 0.000 3.830) 3.900 19.043 ( -4.012 0.000 -2.867) 4.931 20.798 ( -3.335 0.000 0.810) 3.432 20.846 ( 25.342 0.000 -0.992) 25.362 20.978 ( -0.124 0.000 1.224) 1.230 21.055 ( 1.373 0.000 -1.663) 2.157 21.220 ( 1.704 0.000 0.560) 1.794 21.244 ( -1.340 0.000 -0.370) 1.390 21.733 ( 1.301 0.000 0.441) 1.374 21.747 ( -1.531 0.000 -0.045) 1.532 23.039 ( -1.107 0.000 2.918) 3.121 23.191 ( 1.253 0.000 -2.726) 3.000 23.208 ( 1.366 0.000 0.111) 1.370 23.217 ( -0.976 0.000 -0.245) 1.006 29.606 ( -0.522 0.000 0.367) 0.638 29.638 ( 0.254 0.000 0.735) 0.778 29.638 ( 0.503 0.000 -0.828) 0.969 29.670 ( -2.054 0.000 -0.452) 2.104 33.582 ( -2.559 0.000 1.905) 3.190 33.706 ( 3.213 0.000 -2.804) 4.264 35.127 ( 7.299 0.000 0.660) 7.329 35.149 ( -55.617 0.000 -0.100) 55.617 36.751 ( -2.219 0.000 0.827) 2.368 36.793 ( 1.980 0.000 -0.744) 2.115 37.665 ( -53.755 0.000 2.097) 53.796 37.757 ( 8.123 0.000 -1.358) 8.236 39.656 ( -0.069 0.000 5.247) 5.248 39.901 ( -4.360 0.000 1.303) 4.551 39.937 ( -1.012 0.000 -3.166) 3.324 40.039 ( -3.143 0.000 1.788) 3.616 40.056 ( -0.690 0.000 -7.813) 7.844 40.129 ( 2.529 0.000 -1.633) 3.010 40.720 ( 3.507 0.000 8.373) 9.078 41.021 ( -21.267 0.000 -4.209) 21.680 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -1.137 0.000 34.291) 34.310 0.766 ( 19.158 0.000 15.666) 24.747 1.413 ( 35.658 0.000 22.051) 41.926 1.557 ( 5.980 0.000 -20.661) 21.509 1.769 ( 12.547 0.000 -10.981) 16.674 2.026 ( -1.743 0.000 4.134) 4.487 2.395 ( -1.218 0.000 4.117) 4.293 2.646 ( 2.266 0.000 4.351) 4.905 2.771 ( 19.085 0.000 0.180) 19.085 2.887 ( -8.416 0.000 0.510) 8.432 3.124 ( -15.124 0.000 -1.133) 15.167 3.148 ( -9.769 0.000 1.345) 9.861 3.244 ( 8.218 0.000 -3.538) 8.947 3.388 ( -2.860 0.000 -0.217) 2.868 3.471 ( -2.548 0.000 4.031) 4.769 3.502 ( 0.823 0.000 -3.609) 3.701 3.619 ( 5.767 0.000 -6.594) 8.761 3.712 ( 10.790 0.000 -5.482) 12.103 3.793 ( 0.570 0.000 5.055) 5.087 3.929 ( 1.732 0.000 1.405) 2.230 3.938 ( 14.131 0.000 -5.303) 15.093 4.485 ( -1.682 0.000 2.374) 2.910 4.535 ( -7.052 0.000 -9.915) 12.167 4.795 ( -0.198 0.000 -0.922) 0.943 4.829 ( 3.584 0.000 -11.267) 11.823 4.967 ( -1.598 0.000 5.509) 5.736 5.068 ( -3.935 0.000 -10.089) 10.829 5.185 ( 2.937 0.000 -8.702) 9.184 5.424 ( -10.436 0.000 3.407) 10.979 5.507 ( -13.216 0.000 4.517) 13.967 5.532 ( 2.117 0.000 -4.210) 4.712 5.560 ( -2.489 0.000 -6.112) 6.599 5.703 ( -4.277 0.000 0.930) 4.377 5.862 ( -4.057 0.000 0.124) 4.059 6.055 ( -0.265 0.000 3.118) 3.129 6.164 ( -2.090 0.000 10.922) 11.120 6.171 ( -0.453 0.000 -2.068) 2.117 6.192 ( 0.106 0.000 3.714) 3.715 6.466 ( 0.248 0.000 -0.101) 0.267 6.546 ( -12.793 0.000 12.842) 18.126 6.580 ( -1.181 0.000 -2.707) 2.953 6.683 ( -5.485 0.000 -1.751) 5.757 6.827 ( -3.646 0.000 -1.629) 3.994 6.867 ( -3.496 0.000 1.827) 3.945 6.982 ( 4.417 0.000 -1.775) 4.761 7.047 ( -0.140 0.000 6.327) 6.329 7.099 ( -3.126 0.000 -4.422) 5.415 7.137 ( -17.712 0.000 9.978) 20.329 7.437 ( 8.643 0.000 -3.914) 9.488 7.522 ( 6.457 0.000 -1.050) 6.541 7.578 ( -0.811 0.000 1.391) 1.610 7.759 ( 0.163 0.000 2.843) 2.847 7.783 ( -5.464 0.000 2.598) 6.050 7.886 ( -2.509 0.000 0.025) 2.509 8.159 ( 12.707 0.000 -2.525) 12.956 8.506 ( 8.685 0.000 -10.961) 13.985 8.590 ( -3.287 0.000 9.713) 10.254 9.142 ( 9.868 0.000 0.023) 9.868 9.202 ( -8.812 0.000 1.637) 8.963 9.690 ( 13.710 0.000 -16.837) 21.713 12.719 ( 1.887 0.000 2.521) 3.149 12.789 ( 0.460 0.000 5.748) 5.766 12.944 ( -1.286 0.000 -0.035) 1.286 13.040 ( 2.300 0.000 -2.737) 3.575 13.219 ( 0.541 0.000 1.573) 1.664 13.370 ( -0.143 0.000 0.745) 0.758 13.406 ( -0.245 0.000 -2.767) 2.778 13.662 ( 0.211 0.000 -5.882) 5.885 17.756 ( 0.392 0.000 -0.896) 0.978 17.758 ( 1.742 0.000 0.734) 1.890 17.790 ( -3.175 0.000 2.314) 3.929 17.944 ( -0.210 0.000 4.511) 4.516 18.734 ( 1.599 0.000 0.905) 1.837 18.763 ( 0.968 0.000 -2.149) 2.357 18.844 ( -1.809 0.000 3.486) 3.927 18.975 ( -1.732 0.000 -0.628) 1.843 20.733 ( -1.571 0.000 -1.668) 2.291 20.977 ( -0.123 0.000 1.537) 1.542 20.992 ( -1.333 0.000 -2.925) 3.214 21.141 ( 0.461 0.000 -5.013) 5.035 21.298 ( 5.153 0.000 -1.373) 5.333 21.607 ( 16.022 0.000 -10.795) 19.319 21.702 ( -2.457 0.000 -1.243) 2.754 21.752 ( 0.366 0.000 1.572) 1.614 23.031 ( 0.110 0.000 1.999) 2.002 23.194 ( -0.941 0.000 -0.824) 1.251 23.215 ( 1.084 0.000 -2.059) 2.327 23.220 ( -0.481 0.000 0.866) 0.991 29.595 ( -0.480 0.000 -0.043) 0.481 29.614 ( -1.519 0.000 0.674) 1.662 29.641 ( 0.009 0.000 0.944) 0.944 29.651 ( 0.483 0.000 -0.362) 0.603 33.556 ( 0.065 0.000 -0.815) 0.817 33.560 ( -19.783 0.000 17.194) 26.211 34.007 ( -3.016 0.000 19.509) 19.741 35.137 ( -5.987 0.000 6.332) 8.714 36.662 ( -2.254 0.000 -1.379) 2.642 36.771 ( -3.093 0.000 0.573) 3.146 37.102 ( -2.964 0.000 16.978) 17.235 37.918 ( 4.166 0.000 5.009) 6.515 39.666 ( 0.231 0.000 5.500) 5.505 39.775 ( -4.131 0.000 5.750) 7.080 39.921 ( -0.074 0.000 -4.201) 4.202 40.030 ( -0.629 0.000 -7.640) 7.666 40.070 ( 3.669 0.000 0.935) 3.787 40.191 ( 2.936 0.000 0.604) 2.998 40.639 ( -9.388 0.000 4.623) 10.465 40.724 ( -4.329 0.000 8.849) 9.851 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 20.301 0.000 5.807) 21.115 1.293 ( 26.941 0.000 5.339) 27.465 1.770 ( 14.274 0.000 -13.186) 19.433 2.042 ( 15.831 0.000 -11.482) 19.556 2.073 ( 4.870 0.000 -8.596) 9.879 2.197 ( 10.221 0.000 4.167) 11.038 2.431 ( 20.620 0.000 13.203) 24.485 2.528 ( -20.672 0.000 4.144) 21.084 2.668 ( -5.642 0.000 1.478) 5.832 2.770 ( -10.060 0.000 -3.227) 10.565 2.894 ( -7.336 0.000 -5.868) 9.394 3.121 ( -0.886 0.000 14.004) 14.032 3.290 ( -6.115 0.000 3.820) 7.210 3.384 ( -1.122 0.000 0.163) 1.134 3.547 ( 12.063 0.000 4.844) 12.999 3.643 ( 13.004 0.000 -6.814) 14.681 3.693 ( 2.190 0.000 0.065) 2.191 3.867 ( 11.632 0.000 3.200) 12.065 3.947 ( 7.373 0.000 -2.426) 7.762 3.981 ( 3.015 0.000 -1.710) 3.466 4.195 ( 6.117 0.000 -4.022) 7.321 4.339 ( -11.741 0.000 -4.158) 12.456 4.467 ( 1.537 0.000 2.985) 3.357 4.684 ( -19.907 0.000 12.044) 23.267 4.736 ( -10.731 0.000 0.101) 10.732 4.890 ( 3.873 0.000 -13.010) 13.574 4.926 ( -3.157 0.000 -14.528) 14.867 5.144 ( -10.840 0.000 -8.270) 13.634 5.241 ( -1.125 0.000 1.902) 2.210 5.284 ( -5.922 0.000 -1.049) 6.014 5.449 ( -5.387 0.000 -2.793) 6.068 5.574 ( 2.558 0.000 -7.154) 7.597 5.710 ( 3.709 0.000 -4.913) 6.156 5.792 ( -4.555 0.000 4.225) 6.212 5.997 ( -3.277 0.000 7.552) 8.232 6.119 ( -2.509 0.000 2.607) 3.618 6.165 ( -0.775 0.000 8.237) 8.273 6.185 ( -0.218 0.000 -0.054) 0.224 6.304 ( -5.587 0.000 6.424) 8.514 6.508 ( -6.677 0.000 6.076) 9.027 6.590 ( 0.293 0.000 -7.803) 7.809 6.591 ( 4.248 0.000 0.574) 4.287 6.735 ( -3.694 0.000 -2.103) 4.251 6.785 ( -3.699 0.000 2.190) 4.299 6.894 ( -5.756 0.000 3.144) 6.558 7.007 ( -3.225 0.000 -2.034) 3.813 7.027 ( -2.121 0.000 8.125) 8.397 7.101 ( 4.992 0.000 -3.875) 6.320 7.558 ( -1.541 0.000 4.122) 4.400 7.570 ( 3.433 0.000 2.669) 4.348 7.681 ( 1.175 0.000 -2.942) 3.168 7.722 ( 5.926 0.000 -7.351) 9.442 7.757 ( -0.337 0.000 0.451) 0.563 7.840 ( -1.352 0.000 -2.552) 2.888 8.426 ( 6.420 0.000 0.749) 6.463 8.523 ( 0.775 0.000 10.711) 10.739 8.715 ( 10.296 0.000 -11.556) 15.477 9.011 ( -8.485 0.000 3.748) 9.276 9.362 ( 8.933 0.000 0.845) 8.973 9.749 ( -2.296 0.000 -5.378) 5.848 12.748 ( 0.661 0.000 4.255) 4.306 12.812 ( 0.809 0.000 6.482) 6.532 12.913 ( -1.444 0.000 0.039) 1.444 13.079 ( 1.272 0.000 -2.308) 2.635 13.240 ( 0.925 0.000 2.315) 2.493 13.362 ( -0.589 0.000 0.453) 0.743 13.370 ( -2.549 0.000 -0.893) 2.701 13.652 ( -0.329 0.000 -6.404) 6.413 17.763 ( 0.027 0.000 -0.108) 0.111 17.769 ( 0.851 0.000 -1.284) 1.540 17.833 ( 3.686 0.000 -1.717) 4.066 17.920 ( -2.118 0.000 3.484) 4.077 18.772 ( 1.623 0.000 1.170) 2.000 18.797 ( 2.365 0.000 -2.512) 3.451 18.803 ( -2.126 0.000 2.692) 3.431 18.940 ( -1.625 0.000 -1.221) 2.033 20.732 ( 1.229 0.000 -0.459) 1.313 20.953 ( -1.708 0.000 -3.301) 3.716 20.975 ( -0.258 0.000 2.140) 2.155 21.143 ( 0.311 0.000 -4.317) 4.329 21.425 ( 6.280 0.000 -2.448) 6.740 21.626 ( -4.013 0.000 -1.926) 4.452 21.749 ( -1.018 0.000 2.826) 3.003 21.754 ( 1.838 0.000 1.375) 2.295 23.048 ( 1.266 0.000 1.102) 1.678 23.174 ( -0.767 0.000 -1.440) 1.631 23.196 ( -1.708 0.000 2.187) 2.775 23.233 ( 0.769 0.000 -1.372) 1.573 29.588 ( -0.103 0.000 -0.485) 0.496 29.603 ( 0.112 0.000 -1.509) 1.513 29.640 ( -0.220 0.000 1.051) 1.074 29.661 ( 0.533 0.000 -0.256) 0.591 33.473 ( 4.297 0.000 -7.458) 8.607 33.580 ( 2.315 0.000 -4.065) 4.678 34.201 ( 13.144 0.000 9.561) 16.253 34.933 ( -12.241 0.000 6.530) 13.874 36.656 ( 0.984 0.000 -3.238) 3.384 36.699 ( -3.105 0.000 0.932) 3.242 37.158 ( 4.384 0.000 14.481) 15.130 37.918 ( -3.824 0.000 1.909) 4.274 39.671 ( -0.440 0.000 5.384) 5.402 39.729 ( -0.995 0.000 4.478) 4.587 39.925 ( 1.005 0.000 -6.165) 6.246 40.015 ( 0.002 0.000 -6.798) 6.798 40.172 ( 5.323 0.000 1.777) 5.612 40.250 ( 2.169 0.000 3.438) 4.065 40.505 ( -4.782 0.000 0.892) 4.865 40.585 ( -7.799 0.000 3.440) 8.524 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 23.829 0.000 -7.976) 25.128 1.888 ( 21.223 0.000 -0.073) 21.223 1.921 ( -20.224 0.000 2.804) 20.417 2.022 ( -14.788 0.000 6.010) 15.963 2.074 ( 12.504 0.000 -10.157) 16.109 2.200 ( 2.068 0.000 -13.566) 13.723 2.270 ( -16.035 0.000 -9.390) 18.582 2.430 ( 13.714 0.000 -7.036) 15.414 2.683 ( -9.419 0.000 3.526) 10.057 2.789 ( 2.431 0.000 1.818) 3.036 3.015 ( -9.695 0.000 12.526) 15.839 3.125 ( 11.096 0.000 6.273) 12.746 3.189 ( 8.476 0.000 8.015) 11.666 3.364 ( 0.148 0.000 0.135) 0.200 3.651 ( -12.828 0.000 16.910) 21.225 3.667 ( 0.679 0.000 3.323) 3.392 3.826 ( -10.067 0.000 5.565) 11.503 3.954 ( -6.185 0.000 -7.745) 9.911 4.018 ( 11.994 0.000 -5.302) 13.113 4.023 ( -5.467 0.000 -2.927) 6.201 4.121 ( -5.524 0.000 -9.182) 10.716 4.311 ( -0.368 0.000 7.326) 7.335 4.390 ( 4.341 0.000 -1.156) 4.492 4.491 ( 1.287 0.000 -3.186) 3.436 4.544 ( 0.061 0.000 7.170) 7.170 4.854 ( -10.973 0.000 -8.589) 13.935 5.000 ( 7.293 0.000 -9.868) 12.270 5.016 ( 11.035 0.000 -14.280) 18.047 5.226 ( -1.830 0.000 -1.621) 2.445 5.250 ( 2.164 0.000 0.457) 2.211 5.370 ( -1.053 0.000 -0.787) 1.315 5.639 ( 2.602 0.000 -9.586) 9.932 5.668 ( -4.959 0.000 5.343) 7.290 5.774 ( 2.286 0.000 -0.684) 2.386 5.954 ( -1.882 0.000 7.915) 8.135 6.141 ( 2.857 0.000 -2.641) 3.891 6.160 ( 1.883 0.000 5.275) 5.600 6.200 ( 2.511 0.000 1.562) 2.957 6.256 ( -0.725 0.000 5.391) 5.440 6.382 ( -5.114 0.000 8.377) 9.814 6.593 ( -0.772 0.000 -4.819) 4.880 6.605 ( -2.563 0.000 -0.936) 2.728 6.739 ( -0.254 0.000 -1.609) 1.629 6.747 ( 4.723 0.000 0.167) 4.726 6.849 ( 0.818 0.000 2.118) 2.271 6.939 ( -2.363 0.000 -3.396) 4.137 6.988 ( -1.990 0.000 6.921) 7.202 7.204 ( 4.190 0.000 0.281) 4.199 7.521 ( -1.830 0.000 2.410) 3.026 7.571 ( -2.873 0.000 0.622) 2.940 7.695 ( 2.026 0.000 3.540) 4.079 7.746 ( -0.892 0.000 -0.027) 0.892 7.820 ( -0.194 0.000 -4.801) 4.805 7.891 ( 8.039 0.000 -11.924) 14.381 8.347 ( -7.244 0.000 10.135) 12.457 8.702 ( 7.361 0.000 5.288) 9.063 8.779 ( -7.200 0.000 -2.590) 7.652 8.941 ( 4.494 0.000 -8.094) 9.258 9.485 ( 1.484 0.000 3.736) 4.020 9.648 ( -5.902 0.000 -5.282) 7.920 12.762 ( 0.127 0.000 5.641) 5.642 12.832 ( 0.229 0.000 7.566) 7.570 12.887 ( -0.809 0.000 -0.511) 0.957 13.085 ( -0.483 0.000 -2.716) 2.759 13.265 ( 1.137 0.000 2.730) 2.957 13.314 ( -2.103 0.000 -0.889) 2.283 13.349 ( -0.611 0.000 1.383) 1.512 13.638 ( -0.290 0.000 -6.907) 6.913 17.760 ( -0.397 0.000 -0.811) 0.903 17.787 ( 0.912 0.000 -1.518) 1.771 17.871 ( -2.435 0.000 1.641) 2.936 17.918 ( 4.331 0.000 -0.016) 4.331 18.754 ( -2.077 0.000 0.853) 2.245 18.814 ( 1.574 0.000 2.415) 2.883 18.848 ( 1.746 0.000 -2.061) 2.701 18.907 ( -0.558 0.000 -1.561) 1.658 20.767 ( 1.719 0.000 1.302) 2.157 20.914 ( -1.466 0.000 -4.615) 4.842 20.972 ( -0.224 0.000 2.498) 2.508 21.143 ( 0.030 0.000 -4.460) 4.460 21.519 ( -5.660 0.000 -2.599) 6.228 21.547 ( 5.057 0.000 -2.595) 5.684 21.704 ( -3.830 0.000 4.254) 5.724 21.772 ( 0.110 0.000 3.617) 3.619 23.085 ( 2.025 0.000 0.387) 2.061 23.156 ( -2.217 0.000 2.962) 3.700 23.160 ( -0.340 0.000 -2.175) 2.201 23.244 ( 0.352 0.000 -0.658) 0.746 29.592 ( 0.524 0.000 -0.779) 0.939 29.607 ( 0.388 0.000 -1.855) 1.895 29.634 ( -0.392 0.000 1.124) 1.190 29.672 ( 0.479 0.000 -0.212) 0.524 33.562 ( 3.938 0.000 -11.074) 11.753 33.641 ( 3.599 0.000 -5.856) 6.873 34.547 ( 17.617 0.000 13.035) 21.915 34.684 ( -9.650 0.000 1.109) 9.714 36.648 ( -1.630 0.000 0.104) 1.633 36.679 ( 1.365 0.000 -2.213) 2.600 37.304 ( 7.665 0.000 18.084) 19.641 37.807 ( -5.310 0.000 -4.256) 6.805 39.664 ( -0.504 0.000 4.699) 4.726 39.730 ( 0.444 0.000 4.722) 4.742 39.948 ( 1.803 0.000 -7.771) 7.978 40.010 ( 0.082 0.000 -6.030) 6.030 40.268 ( -1.988 0.000 6.063) 6.380 40.278 ( 2.569 0.000 4.976) 5.600 40.430 ( -0.768 0.000 -1.487) 1.673 40.464 ( -1.917 0.000 -1.595) 2.494 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -27.157 0.000 4.018) 27.453 1.462 ( -26.245 0.000 11.401) 28.614 1.810 ( 0.932 0.000 -16.373) 16.399 1.977 ( 6.386 0.000 -8.485) 10.620 2.106 ( -7.436 0.000 -12.972) 14.953 2.252 ( 0.224 0.000 -2.699) 2.708 2.518 ( 25.512 0.000 -0.139) 25.512 2.660 ( 5.390 0.000 -2.276) 5.851 2.677 ( -2.827 0.000 4.261) 5.114 2.749 ( -11.112 0.000 5.692) 12.485 2.756 ( -34.383 0.000 31.693) 46.761 2.839 ( 10.081 0.000 -4.191) 10.917 3.263 ( -0.112 0.000 4.282) 4.283 3.376 ( -1.217 0.000 1.567) 1.984 3.495 ( -4.898 0.000 0.100) 4.899 3.520 ( -13.518 0.000 -4.203) 14.156 3.711 ( -3.661 0.000 -0.223) 3.668 3.753 ( -4.333 0.000 -7.254) 8.449 4.014 ( 0.430 0.000 -0.841) 0.944 4.032 ( -5.668 0.000 -4.957) 7.530 4.068 ( -7.904 0.000 0.300) 7.910 4.354 ( 16.188 0.000 -2.387) 16.363 4.519 ( -0.475 0.000 5.071) 5.094 4.573 ( 5.231 0.000 -5.131) 7.327 4.702 ( 8.458 0.000 6.611) 10.735 4.762 ( 3.974 0.000 -8.320) 9.220 5.149 ( 2.718 0.000 -10.822) 11.158 5.174 ( 1.359 0.000 -2.687) 3.011 5.189 ( 3.169 0.000 -1.321) 3.434 5.322 ( 4.131 0.000 3.029) 5.122 5.515 ( 13.893 0.000 -6.630) 15.394 5.601 ( -3.880 0.000 -5.535) 6.759 5.680 ( 6.841 0.000 -0.740) 6.881 5.827 ( 1.843 0.000 1.199) 2.199 5.948 ( 1.075 0.000 6.094) 6.189 6.150 ( -0.808 0.000 -2.152) 2.299 6.227 ( -0.152 0.000 4.978) 4.980 6.273 ( -2.610 0.000 6.022) 6.563 6.319 ( 9.297 0.000 4.920) 10.518 6.376 ( 8.453 0.000 5.937) 10.330 6.551 ( -2.118 0.000 -4.300) 4.794 6.555 ( -1.757 0.000 0.508) 1.829 6.767 ( 3.044 0.000 -3.538) 4.667 6.856 ( 4.079 0.000 -1.327) 4.290 6.909 ( 3.472 0.000 1.096) 3.641 6.918 ( 1.865 0.000 1.024) 2.127 6.969 ( 0.140 0.000 4.518) 4.520 7.254 ( -0.297 0.000 3.145) 3.159 7.496 ( -3.741 0.000 1.843) 4.171 7.516 ( 1.946 0.000 -1.719) 2.596 7.720 ( -1.205 0.000 0.461) 1.290 7.738 ( 1.423 0.000 2.308) 2.711 7.817 ( 0.469 0.000 -6.114) 6.132 8.035 ( 5.748 0.000 -9.745) 11.314 8.190 ( -7.189 0.000 8.598) 11.208 8.556 ( -12.414 0.000 -8.161) 14.856 8.787 ( -1.093 0.000 13.152) 13.197 8.967 ( -3.469 0.000 -2.298) 4.161 9.414 ( -8.612 0.000 6.202) 10.613 9.520 ( -3.958 0.000 -11.918) 12.558 12.765 ( -0.567 0.000 6.458) 6.483 12.834 ( -0.952 0.000 8.078) 8.134 12.880 ( 0.385 0.000 -1.506) 1.554 13.061 ( -1.050 0.000 -3.821) 3.963 13.289 ( 0.126 0.000 -2.490) 2.493 13.289 ( 0.475 0.000 4.192) 4.219 13.347 ( 0.442 0.000 1.005) 1.098 13.627 ( 0.123 0.000 -7.148) 7.149 17.746 ( -0.667 0.000 -0.486) 0.826 17.799 ( -0.272 0.000 -0.424) 0.504 17.833 ( -0.414 0.000 -0.703) 0.816 18.025 ( 5.575 0.000 1.234) 5.710 18.716 ( -1.380 0.000 0.215) 1.396 18.831 ( -1.967 0.000 -0.974) 2.195 18.847 ( 1.155 0.000 2.834) 3.060 18.948 ( 3.501 0.000 -2.057) 4.060 20.803 ( 1.369 0.000 2.689) 3.018 20.869 ( -2.644 0.000 -7.626) 8.071 20.973 ( 0.043 0.000 2.326) 2.326 21.128 ( -1.125 0.000 -5.241) 5.360 21.381 ( -6.525 0.000 -1.831) 6.777 21.580 ( -8.171 0.000 4.854) 9.504 21.636 ( 3.360 0.000 -1.839) 3.830 21.775 ( -0.176 0.000 2.597) 2.603 23.110 ( -2.195 0.000 3.468) 4.104 23.132 ( 2.068 0.000 -0.078) 2.070 23.157 ( 0.355 0.000 -2.768) 2.791 23.246 ( -0.182 0.000 -0.149) 0.235 29.607 ( 0.872 0.000 -0.595) 1.056 29.615 ( 0.563 0.000 -1.607) 1.702 29.627 ( -0.390 0.000 1.066) 1.135 29.681 ( 0.353 0.000 -0.269) 0.444 33.614 ( 2.125 0.000 -8.407) 8.671 33.693 ( 0.594 0.000 -1.451) 1.568 34.602 ( 4.367 0.000 -9.538) 10.490 34.981 ( 20.489 0.000 14.201) 24.929 36.637 ( 1.047 0.000 -1.334) 1.696 36.709 ( 1.532 0.000 -0.447) 1.596 37.560 ( 14.737 0.000 25.603) 29.541 37.705 ( -3.211 0.000 -8.423) 9.014 39.661 ( -0.356 0.000 4.852) 4.865 39.762 ( 2.326 0.000 4.345) 4.929 39.984 ( 1.930 0.000 -6.931) 7.195 40.000 ( -0.121 0.000 -6.343) 6.344 40.194 ( -3.935 0.000 2.062) 4.443 40.245 ( -4.213 0.000 4.519) 6.178 40.496 ( 3.746 0.000 0.617) 3.797 40.528 ( 8.599 0.000 4.381) 9.650 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -26.728 0.000 10.111) 28.577 0.927 ( -23.803 0.000 18.695) 30.267 1.625 ( -5.569 0.000 -16.650) 17.556 1.856 ( -13.120 0.000 -13.475) 18.807 1.885 ( -39.169 0.000 41.456) 57.033 2.197 ( -2.389 0.000 1.518) 2.831 2.352 ( 12.664 0.000 -5.900) 13.971 2.425 ( -10.925 0.000 2.794) 11.277 2.575 ( -5.602 0.000 8.475) 10.160 2.877 ( 9.377 0.000 -2.629) 9.739 3.076 ( 18.825 0.000 -2.211) 18.954 3.127 ( 12.060 0.000 -6.314) 13.613 3.190 ( -2.830 0.000 -2.658) 3.883 3.232 ( -4.215 0.000 -0.079) 4.216 3.383 ( -0.527 0.000 -4.441) 4.472 3.482 ( 3.029 0.000 2.096) 3.684 3.641 ( -2.959 0.000 1.243) 3.210 3.655 ( -6.396 0.000 -8.189) 10.390 3.891 ( -3.517 0.000 -4.279) 5.539 3.906 ( -8.513 0.000 -2.922) 9.001 3.962 ( -4.203 0.000 5.417) 6.856 4.534 ( 0.255 0.000 5.271) 5.277 4.576 ( 4.199 0.000 -6.027) 7.346 4.670 ( 3.893 0.000 -9.144) 9.939 4.794 ( 1.173 0.000 3.503) 3.694 4.873 ( 2.119 0.000 -0.911) 2.306 5.150 ( -1.403 0.000 -12.377) 12.456 5.159 ( -1.051 0.000 -4.835) 4.947 5.292 ( 6.460 0.000 -1.184) 6.568 5.428 ( 5.112 0.000 1.472) 5.319 5.574 ( 2.646 0.000 2.704) 3.784 5.763 ( 8.362 0.000 -0.393) 8.371 5.853 ( 0.506 0.000 3.936) 3.968 5.896 ( 8.423 0.000 -4.234) 9.427 5.990 ( 1.487 0.000 3.973) 4.242 6.112 ( -2.231 0.000 0.693) 2.336 6.210 ( -2.268 0.000 4.228) 4.797 6.210 ( -1.156 0.000 2.007) 2.316 6.475 ( -1.565 0.000 -0.249) 1.585 6.514 ( 0.252 0.000 -5.851) 5.857 6.611 ( 10.486 0.000 4.887) 11.569 6.634 ( 12.301 0.000 3.898) 12.904 6.842 ( 3.128 0.000 -3.094) 4.400 6.906 ( 1.923 0.000 -1.075) 2.203 6.951 ( 1.826 0.000 -0.322) 1.854 7.047 ( 5.590 0.000 1.628) 5.822 7.082 ( 13.766 0.000 8.516) 16.187 7.218 ( -2.117 0.000 1.275) 2.472 7.427 ( -2.482 0.000 3.608) 4.379 7.580 ( 3.146 0.000 -2.008) 3.733 7.720 ( 1.980 0.000 3.888) 4.363 7.771 ( 1.826 0.000 1.322) 2.254 7.835 ( 2.684 0.000 -7.454) 7.922 7.954 ( -10.025 0.000 5.914) 11.639 8.201 ( -19.413 0.000 -12.626) 23.158 8.207 ( 3.400 0.000 -3.727) 5.045 8.661 ( -11.495 0.000 21.247) 24.158 8.794 ( -10.600 0.000 4.867) 11.664 9.177 ( -11.156 0.000 2.827) 11.508 9.459 ( -1.140 0.000 -16.653) 16.692 12.750 ( -1.616 0.000 6.772) 6.963 12.811 ( -1.861 0.000 7.170) 7.407 12.903 ( 1.893 0.000 -2.128) 2.848 13.036 ( -0.988 0.000 -3.815) 3.941 13.291 ( -0.907 0.000 5.998) 6.066 13.318 ( 2.879 0.000 -4.643) 5.463 13.364 ( 0.743 0.000 -0.273) 0.792 13.631 ( 1.015 0.000 -7.074) 7.146 17.734 ( -0.362 0.000 -0.021) 0.363 17.775 ( -1.200 0.000 -0.140) 1.208 17.860 ( 2.318 0.000 -0.225) 2.329 18.151 ( 4.871 0.000 -1.330) 5.049 18.698 ( -0.246 0.000 0.054) 0.251 18.789 ( -1.693 0.000 -1.079) 2.007 18.868 ( 0.372 0.000 3.400) 3.421 19.030 ( 4.019 0.000 -2.203) 4.584 20.750 ( -7.378 0.000 -8.243) 11.063 20.828 ( 0.251 0.000 3.236) 3.245 20.978 ( 0.088 0.000 1.786) 1.789 21.082 ( -2.142 0.000 -3.746) 4.315 21.261 ( -3.934 0.000 0.324) 3.947 21.377 ( -9.727 0.000 2.466) 10.035 21.695 ( 2.230 0.000 -0.722) 2.344 21.769 ( -0.649 0.000 1.191) 1.356 23.068 ( -1.872 0.000 3.466) 3.940 23.169 ( 1.015 0.000 -2.973) 3.141 23.174 ( 1.735 0.000 -0.055) 1.736 23.236 ( -0.719 0.000 -0.011) 0.719 29.616 ( -0.316 0.000 0.536) 0.622 29.627 ( 0.628 0.000 -1.222) 1.374 29.628 ( 0.541 0.000 0.367) 0.654 29.686 ( 0.070 0.000 -0.642) 0.646 33.650 ( 2.211 0.000 -5.305) 5.747 33.652 ( -3.626 0.000 2.885) 4.634 34.846 ( 16.467 0.000 -10.077) 19.306 35.390 ( 13.123 0.000 1.222) 13.180 36.701 ( 4.919 0.000 -2.125) 5.358 36.743 ( 1.455 0.000 1.190) 1.880 37.663 ( 0.879 0.000 -8.400) 8.446 37.984 ( 17.159 0.000 15.023) 22.806 39.658 ( -0.463 0.000 5.042) 5.064 39.849 ( 5.085 0.000 2.162) 5.525 39.968 ( -1.350 0.000 -3.536) 3.785 40.038 ( 2.795 0.000 -7.553) 8.054 40.128 ( -2.073 0.000 -2.000) 2.880 40.153 ( -4.720 0.000 2.904) 5.542 40.602 ( 5.582 0.000 3.991) 6.862 40.841 ( 21.253 0.000 13.828) 25.356 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 9.168 17.772 18.274) 27.090 1.122 ( -7.748 24.545 24.449) 35.500 1.581 ( -8.374 32.273 10.149) 34.852 1.691 ( -10.992 14.951 -5.918) 19.478 1.912 ( 0.430 25.074 -11.248) 27.485 2.207 ( -9.262 7.393 9.286) 15.055 2.333 ( 7.025 1.641 4.517) 8.512 2.564 ( 3.948 -1.361 2.824) 5.041 2.665 ( 3.644 12.231 -0.728) 12.783 2.979 ( -2.035 0.023 0.241) 2.050 3.091 ( 2.478 -3.998 -3.631) 5.942 3.268 ( 3.624 -4.171 -4.652) 7.223 3.307 ( 0.469 -0.661 -4.564) 4.635 3.362 ( 1.430 -0.244 -5.340) 5.534 3.441 ( 6.823 2.629 0.140) 7.313 3.533 ( 4.802 -0.338 -0.180) 4.817 3.565 ( 0.196 3.499 1.819) 3.949 3.614 ( -1.600 1.434 -6.599) 6.940 3.736 ( -0.689 5.210 -4.153) 6.698 3.926 ( -1.514 6.161 -5.546) 8.427 3.997 ( -3.088 7.104 6.364) 10.025 4.489 ( -1.822 -2.396 0.337) 3.029 4.553 ( -1.618 -7.891 -7.579) 11.060 4.667 ( 4.728 -1.414 -5.268) 7.218 4.842 ( 4.169 -0.323 -1.949) 4.613 4.885 ( -0.685 2.753 2.875) 4.039 5.073 ( 1.473 -1.686 -7.003) 7.352 5.124 ( -3.794 -0.861 -5.329) 6.598 5.407 ( 1.426 -3.369 1.152) 3.835 5.523 ( 1.278 -3.902 -1.630) 4.418 5.556 ( -0.235 -0.987 2.907) 3.079 5.761 ( -4.839 -0.080 1.568) 5.087 5.837 ( -6.925 -1.392 3.933) 8.084 5.859 ( 3.265 -3.420 0.182) 4.732 6.057 ( 2.855 -0.986 2.913) 4.197 6.093 ( 0.988 -3.749 4.201) 5.717 6.146 ( -1.488 -1.637 2.677) 3.472 6.238 ( -0.206 3.410 0.487) 3.450 6.513 ( -1.825 6.642 -1.854) 7.133 6.560 ( 1.769 1.062 1.748) 2.705 6.638 ( 3.922 0.703 2.463) 4.684 6.769 ( -3.702 -2.741 2.882) 5.434 6.908 ( -2.521 2.080 0.281) 3.281 6.926 ( 5.733 0.691 -0.986) 5.859 6.972 ( -1.818 4.325 1.081) 4.815 7.125 ( 2.055 -1.648 -2.709) 3.779 7.211 ( -3.061 2.210 0.522) 3.811 7.279 ( 6.001 2.273 -1.508) 6.592 7.420 ( 0.614 -0.339 3.519) 3.588 7.599 ( -4.073 -0.052 0.327) 4.086 7.632 ( -10.183 0.157 6.052) 11.847 7.833 ( 1.742 1.457 4.769) 5.282 7.873 ( -2.877 5.572 6.101) 8.749 7.904 ( 1.018 -0.370 -1.856) 2.149 8.099 ( -9.741 2.767 2.760) 10.496 8.295 ( 3.283 0.441 -0.018) 3.312 8.719 ( -0.001 5.094 1.367) 5.275 8.963 ( 15.845 2.327 -6.719) 17.367 9.157 ( 12.036 10.615 -8.484) 18.153 9.412 ( -1.707 0.593 -11.909) 12.046 12.678 ( -1.322 -2.553 6.318) 6.942 12.741 ( -1.227 -2.637 4.947) 5.739 12.976 ( 2.669 1.839 -2.382) 4.022 13.061 ( -1.386 1.685 -3.505) 4.129 13.219 ( -2.209 -1.383 3.445) 4.320 13.368 ( 3.244 0.520 -1.791) 3.742 13.389 ( -0.026 -0.048 -0.593) 0.596 13.577 ( -0.438 -5.740 -4.805) 7.499 17.739 ( 0.403 0.446 0.232) 0.644 17.759 ( -0.462 0.164 -0.443) 0.661 17.890 ( -1.576 -2.323 3.568) 4.539 17.967 ( -6.237 -3.645 2.720) 7.719 18.714 ( 0.813 0.775 0.418) 1.198 18.766 ( -0.606 0.453 -1.207) 1.425 18.867 ( -0.798 -0.291 3.404) 3.508 19.000 ( -1.600 -2.436 -0.514) 2.960 20.756 ( 7.140 -3.065 2.946) 8.309 20.800 ( 1.398 -1.480 0.282) 2.055 20.975 ( -0.066 -0.277 1.126) 1.162 21.044 ( 0.354 -0.883 -1.457) 1.740 21.219 ( 0.439 0.039 0.406) 0.600 21.242 ( -0.954 -0.231 -0.378) 1.052 21.722 ( 1.157 -0.977 0.409) 1.569 21.735 ( -1.320 -1.002 -0.086) 1.659 23.001 ( -0.436 -1.390 0.877) 1.700 23.111 ( 1.490 -5.002 -1.635) 5.469 23.221 ( -0.464 -0.462 -0.277) 0.711 23.225 ( 0.523 -0.097 -0.537) 0.756 29.599 ( -0.426 -0.738 0.246) 0.887 29.618 ( 0.304 -1.310 -0.048) 1.345 29.630 ( 0.453 -1.032 0.057) 1.129 29.643 ( -1.342 -1.819 0.406) 2.297 33.578 ( -2.380 -0.376 1.679) 2.937 33.684 ( 1.951 -1.995 -2.289) 3.609 34.245 ( -30.500 -33.881 40.375) 60.896 35.148 ( 4.975 -14.686 -10.065) 18.486 36.732 ( -2.531 -1.149 0.581) 2.840 36.778 ( 1.745 -1.222 -0.855) 2.296 37.062 ( -6.984 -14.259 16.295) 22.751 37.602 ( 2.308 -19.731 -7.753) 21.324 39.772 ( -0.552 6.174 1.541) 6.387 39.841 ( 1.166 5.537 1.306) 5.807 40.008 ( 0.908 2.539 -0.244) 2.708 40.071 ( -0.507 0.296 -2.484) 2.552 40.171 ( -2.685 14.008 0.611) 14.276 40.243 ( 1.111 9.979 -1.475) 10.148 41.099 ( 1.928 32.781 16.036) 36.544 42.596 ( -14.698 58.778 -66.159) 89.710 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.618 26.019 22.931) 34.719 1.192 ( 14.269 19.872 15.259) 28.833 1.590 ( 4.207 6.060 -11.064) 13.298 1.749 ( 22.161 30.196 5.474) 37.854 1.993 ( 6.865 16.955 -10.225) 20.956 2.118 ( 1.577 12.750 3.658) 13.357 2.468 ( 1.606 2.540 3.445) 4.571 2.698 ( 7.442 3.435 0.677) 8.224 2.788 ( -10.908 -6.713 2.879) 13.127 2.853 ( 11.000 5.810 -0.149) 12.441 3.118 ( -12.256 -0.842 -0.745) 12.308 3.192 ( -5.173 4.368 -1.549) 6.945 3.215 ( 6.765 -1.703 -2.410) 7.381 3.447 ( -2.981 2.199 5.006) 6.227 3.507 ( 0.179 1.436 -4.578) 4.801 3.546 ( 1.905 5.511 1.483) 6.016 3.616 ( 8.358 0.457 -8.596) 11.999 3.660 ( 3.827 -1.140 -1.274) 4.191 3.861 ( 2.237 5.115 7.206) 9.116 3.979 ( 9.270 3.335 -4.351) 10.769 3.997 ( 3.935 6.497 -5.579) 9.424 4.453 ( -2.253 -2.867 -2.478) 4.408 4.470 ( -3.845 -5.074 -4.290) 7.676 4.742 ( 2.511 -3.302 -7.857) 8.885 4.870 ( -1.237 3.122 -2.344) 4.095 4.930 ( -0.581 -3.092 5.790) 6.590 5.053 ( -2.246 -0.977 -8.195) 8.553 5.130 ( 1.596 -4.203 -5.063) 6.771 5.328 ( -9.009 -7.813 3.124) 12.327 5.450 ( -3.689 -0.998 -1.235) 4.017 5.545 ( -3.018 -1.438 -7.430) 8.147 5.633 ( -4.591 5.064 -0.726) 6.874 5.712 ( -3.578 0.218 1.874) 4.045 5.876 ( -1.505 1.815 1.263) 2.675 6.079 ( -1.737 1.053 6.199) 6.523 6.091 ( -1.731 -6.432 3.249) 7.411 6.139 ( -0.127 -0.862 6.192) 6.253 6.238 ( 1.606 3.224 0.302) 3.615 6.486 ( -3.058 3.020 2.411) 4.928 6.566 ( -0.233 3.890 2.465) 4.611 6.614 ( -4.027 1.501 1.258) 4.478 6.714 ( -1.705 3.773 -1.232) 4.319 6.856 ( -2.639 2.067 -1.886) 3.846 6.903 ( -3.056 0.399 2.852) 4.199 7.016 ( 2.143 2.300 -1.567) 3.512 7.102 ( -4.570 2.499 -0.158) 5.211 7.135 ( -4.740 2.988 1.670) 5.847 7.261 ( -11.762 8.879 5.413) 15.700 7.453 ( 1.979 -0.772 2.758) 3.481 7.502 ( 7.434 0.952 -2.629) 7.943 7.590 ( 2.746 1.404 -2.527) 3.986 7.741 ( -5.646 -1.420 1.897) 6.123 7.826 ( -0.086 6.746 2.157) 7.083 7.944 ( 0.466 3.163 1.599) 3.575 8.155 ( 8.666 -0.320 -1.455) 8.794 8.412 ( 8.843 -3.257 -2.574) 9.768 8.711 ( -2.716 5.503 2.836) 6.760 9.037 ( -0.235 -5.301 0.743) 5.358 9.295 ( -2.588 4.570 0.274) 5.259 9.572 ( 9.876 -8.577 -12.657) 18.201 12.682 ( 0.649 -4.290 4.105) 5.973 12.727 ( -0.429 -2.504 2.907) 3.861 12.999 ( -1.150 2.663 0.052) 2.901 13.047 ( 1.789 0.601 -1.532) 2.431 13.216 ( 1.300 -0.057 -0.220) 1.320 13.371 ( -1.669 -0.450 1.509) 2.294 13.403 ( -0.073 0.200 -0.672) 0.705 13.595 ( 2.346 -5.563 -5.780) 8.358 17.751 ( 0.205 -0.542 -0.411) 0.710 17.767 ( 1.957 0.729 0.155) 2.094 17.797 ( -1.866 0.855 1.100) 2.329 17.945 ( -0.452 -0.097 3.796) 3.824 18.740 ( 1.452 0.568 0.794) 1.749 18.766 ( 0.873 0.371 -1.557) 1.823 18.842 ( -1.741 -0.221 3.015) 3.489 18.966 ( -1.255 -0.740 -0.666) 1.602 20.728 ( -1.351 -0.382 -1.463) 2.028 20.944 ( 0.909 -5.098 -1.891) 5.513 20.974 ( -0.194 -0.326 1.393) 1.444 21.092 ( 2.203 -4.122 -3.191) 5.659 21.289 ( 4.927 -0.843 -0.747) 5.054 21.387 ( 13.308 -9.327 1.638) 16.333 21.690 ( -2.692 -1.037 -0.871) 3.014 21.739 ( 0.126 -1.245 1.244) 1.765 23.001 ( 0.376 -1.171 0.528) 1.338 23.141 ( 1.203 -4.716 -0.542) 4.897 23.201 ( -1.147 -0.345 -0.815) 1.449 23.227 ( -0.418 -0.630 -0.087) 0.761 29.587 ( -0.515 -0.728 -0.084) 0.895 29.606 ( -1.233 -0.715 0.392) 1.478 29.632 ( 0.343 -1.078 0.156) 1.142 29.638 ( 0.311 -1.096 0.064) 1.141 33.519 ( -9.937 -1.967 10.111) 14.313 33.563 ( -2.455 -0.046 1.728) 3.003 33.935 ( 3.771 -4.966 12.778) 14.219 35.100 ( -7.925 -9.459 -0.948) 12.376 36.663 ( -1.967 0.160 -1.307) 2.367 36.759 ( -2.762 -0.967 0.395) 2.953 37.025 ( 1.582 -4.829 11.691) 12.748 37.692 ( 4.123 -19.568 -2.662) 20.174 39.759 ( -0.680 3.495 1.963) 4.065 39.869 ( 0.715 10.612 2.517) 10.930 39.988 ( -1.072 0.836 -1.277) 1.865 40.087 ( -0.785 10.505 -3.265) 11.029 40.176 ( 4.676 7.761 -0.052) 9.061 40.283 ( 3.082 9.328 0.354) 9.831 41.045 ( -8.406 31.283 13.934) 35.263 41.717 ( -40.599 64.620 -25.993) 80.620 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 12.385 19.079 10.341) 24.987 1.521 ( 16.869 14.284 4.514) 22.560 1.791 ( 13.345 4.098 -8.851) 16.529 2.106 ( 3.629 4.886 -9.770) 11.511 2.160 ( 8.098 8.567 -6.138) 13.291 2.307 ( -0.696 6.820 0.132) 6.857 2.477 ( -13.362 -0.000 2.543) 13.602 2.583 ( 23.307 12.822 8.047) 27.791 2.753 ( -10.192 4.802 -1.083) 11.319 2.853 ( -0.014 5.482 -2.715) 6.117 2.986 ( -4.498 9.659 -1.041) 10.706 3.148 ( -1.597 4.032 10.537) 11.394 3.301 ( -0.914 1.755 4.369) 4.796 3.499 ( 5.185 2.620 1.185) 5.929 3.578 ( 4.097 6.998 4.029) 9.055 3.639 ( 12.694 -0.633 -6.221) 14.150 3.678 ( 1.883 -0.766 -0.273) 2.051 3.828 ( 8.088 -2.446 -3.603) 9.185 3.961 ( 8.223 3.415 5.082) 10.252 4.013 ( 1.266 1.806 -4.285) 4.820 4.177 ( 1.258 -2.837 -4.726) 5.654 4.336 ( -6.699 0.892 -3.256) 7.501 4.445 ( -0.097 -2.267 4.708) 5.226 4.701 ( -15.157 1.093 9.374) 17.855 4.765 ( -10.614 2.786 0.861) 11.007 4.809 ( 4.841 -2.976 -11.227) 12.583 4.988 ( -3.261 -0.686 -11.730) 12.194 5.054 ( -10.008 -2.971 -7.118) 12.635 5.181 ( 1.552 -4.071 1.218) 4.524 5.393 ( -5.373 6.467 -4.792) 9.678 5.438 ( -2.441 -1.705 -2.096) 3.642 5.614 ( 1.899 3.550 -6.392) 7.554 5.692 ( 2.396 -1.126 -2.271) 3.487 5.802 ( -6.228 0.262 4.136) 7.481 6.019 ( -3.328 1.980 7.227) 8.199 6.067 ( 1.120 -2.879 2.371) 3.894 6.175 ( 2.113 2.059 4.870) 5.694 6.268 ( -0.219 4.343 1.583) 4.628 6.367 ( -5.988 4.519 5.065) 9.051 6.484 ( -6.786 -2.161 6.465) 9.618 6.633 ( 3.217 3.753 -5.245) 7.207 6.679 ( -0.042 7.191 -1.642) 7.376 6.805 ( -1.044 4.991 -2.995) 5.914 6.845 ( -2.566 2.836 2.228) 4.426 6.935 ( -6.942 3.906 3.864) 8.853 7.012 ( -3.469 0.748 -0.197) 3.554 7.090 ( 1.091 1.868 0.780) 2.299 7.131 ( -2.009 8.803 0.266) 9.034 7.443 ( -1.818 -4.632 2.230) 5.453 7.634 ( 0.713 -1.937 -4.264) 4.737 7.684 ( 4.576 2.957 1.304) 5.602 7.724 ( 4.149 4.283 -1.189) 6.080 7.858 ( 4.197 6.474 -3.916) 8.652 7.914 ( -2.914 5.830 1.347) 6.656 8.351 ( 7.896 -6.217 -0.033) 10.050 8.555 ( -0.883 2.386 9.552) 9.885 8.701 ( 5.381 -2.673 -8.095) 10.081 8.927 ( -6.036 -6.047 2.230) 8.830 9.360 ( 5.559 -0.369 0.538) 5.598 9.627 ( -1.669 -9.949 -4.054) 10.872 12.694 ( 0.148 -6.517 4.410) 7.871 12.723 ( -0.398 -3.006 2.918) 4.208 12.969 ( -1.511 2.391 2.543) 3.803 13.095 ( 2.277 1.451 -3.523) 4.439 13.243 ( 0.737 -0.250 1.457) 1.652 13.315 ( -2.810 -2.928 0.659) 4.111 13.396 ( -0.511 1.129 0.869) 1.514 13.636 ( 1.716 -1.509 -6.209) 6.617 17.762 ( 0.769 -0.260 -0.969) 1.264 17.785 ( 0.051 1.408 -0.777) 1.609 17.833 ( 3.531 0.012 -1.265) 3.751 17.920 ( -2.067 -0.129 3.285) 3.883 18.774 ( 1.451 0.268 0.842) 1.699 18.794 ( 0.405 -0.145 1.070) 1.153 18.809 ( -0.050 0.386 -0.536) 0.663 18.936 ( -1.556 -0.351 -1.049) 1.909 20.729 ( 1.222 -0.223 -0.434) 1.316 20.926 ( -1.355 -2.514 -2.651) 3.897 20.970 ( -0.310 -0.472 1.902) 1.984 21.113 ( 0.597 -2.843 -3.650) 4.665 21.412 ( 5.994 -1.268 -1.732) 6.367 21.601 ( 1.624 -5.511 0.951) 5.824 21.624 ( 0.814 -5.282 0.394) 5.359 21.728 ( -1.461 -1.972 2.183) 3.284 23.022 ( 1.574 -1.434 0.807) 2.277 23.158 ( 0.061 -3.147 1.352) 3.426 23.171 ( -1.442 -0.746 -1.363) 2.120 23.212 ( -0.580 -1.750 -0.434) 1.894 29.580 ( -0.100 -0.715 -0.491) 0.873 29.589 ( -0.335 -1.024 -0.578) 1.222 29.636 ( -0.084 -0.680 0.504) 0.850 29.647 ( 0.514 -1.248 -0.235) 1.370 33.453 ( 2.479 -1.414 -3.325) 4.382 33.579 ( 2.177 -0.136 -4.009) 4.564 34.124 ( 10.666 -6.717 9.071) 15.530 34.864 ( -12.711 -8.268 2.823) 15.424 36.653 ( 0.712 -0.157 -2.470) 2.576 36.695 ( -2.726 -0.326 0.682) 2.829 37.107 ( 4.087 -4.347 11.197) 12.688 37.718 ( -1.445 -16.530 -2.109) 16.727 39.753 ( -0.019 2.878 2.777) 3.999 39.857 ( -2.189 13.788 4.662) 14.719 39.985 ( 0.968 1.302 -2.710) 3.159 40.068 ( -0.045 10.068 -5.490) 11.468 40.319 ( 7.974 10.768 0.798) 13.423 40.393 ( 7.161 12.785 1.925) 14.780 40.816 ( -12.319 26.777 4.597) 29.831 41.052 ( -21.292 38.104 -4.760) 43.908 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 18.771 7.588 -3.172) 20.493 1.860 ( -4.923 0.003 -2.384) 5.470 1.944 ( -6.027 1.839 7.086) 9.482 2.041 ( 2.622 1.250 -0.418) 2.935 2.109 ( 5.903 6.874 -2.273) 9.342 2.302 ( 4.122 9.109 -14.949) 17.984 2.425 ( -5.517 8.147 -5.659) 11.350 2.516 ( 3.081 7.648 -6.802) 10.689 2.729 ( -9.465 4.978 5.776) 12.154 2.894 ( 2.583 7.803 0.651) 8.245 3.046 ( -8.781 3.904 9.135) 13.259 3.248 ( -1.963 9.013 7.876) 12.129 3.280 ( 18.843 9.477 4.413) 21.549 3.506 ( -4.281 10.494 -0.997) 11.377 3.646 ( -0.645 -1.005 1.894) 2.239 3.692 ( -2.772 1.603 6.230) 7.005 3.812 ( -12.428 -0.927 6.963) 14.276 3.917 ( 3.520 -4.986 -3.219) 6.900 3.988 ( 2.041 0.942 -7.008) 7.360 4.003 ( -6.249 -0.873 -1.515) 6.489 4.176 ( 0.876 4.027 -4.869) 6.379 4.326 ( 9.907 0.758 7.741) 12.595 4.399 ( -3.465 -1.744 1.200) 4.061 4.453 ( -5.434 2.270 -3.316) 6.759 4.601 ( -0.465 2.486 3.044) 3.957 4.790 ( -6.913 -5.877 -3.487) 9.720 4.958 ( 4.380 -1.776 -10.886) 11.868 5.049 ( 10.138 2.929 -13.901) 17.452 5.210 ( 0.980 -1.689 -1.898) 2.723 5.313 ( -0.492 3.576 -3.012) 4.701 5.411 ( -0.213 3.694 1.929) 4.173 5.642 ( -3.986 -1.318 -0.585) 4.239 5.676 ( 0.776 2.005 -3.361) 3.989 5.770 ( 3.546 -0.759 -1.456) 3.908 5.966 ( -2.573 0.773 7.942) 8.384 6.140 ( 3.764 0.432 -1.346) 4.020 6.184 ( -0.781 2.054 6.862) 7.206 6.279 ( 1.762 5.423 0.327) 5.712 6.302 ( -1.429 2.150 5.891) 6.432 6.349 ( -3.991 -1.162 5.784) 7.122 6.655 ( -1.568 5.751 -3.323) 6.825 6.668 ( -1.000 6.270 -1.999) 6.657 6.805 ( -1.319 4.082 -2.948) 5.205 6.841 ( 3.197 6.977 -1.864) 7.898 6.886 ( 2.562 1.771 2.492) 3.988 6.970 ( 1.255 5.563 0.055) 5.704 7.058 ( -2.359 7.107 3.852) 8.422 7.160 ( 1.999 -2.687 1.100) 3.525 7.421 ( -0.002 -4.298 1.500) 4.552 7.619 ( -1.487 -1.124 -0.496) 1.929 7.745 ( 0.436 0.870 -3.649) 3.777 7.769 ( 1.500 6.802 1.343) 7.094 7.834 ( -3.909 5.019 0.670) 6.397 8.015 ( 8.866 7.829 -8.901) 14.802 8.363 ( -6.688 0.744 7.649) 10.188 8.588 ( 3.834 -9.384 5.286) 11.432 8.657 ( -7.662 -9.366 1.722) 12.223 8.987 ( 8.151 2.313 -10.333) 13.362 9.418 ( -2.362 -5.378 4.464) 7.377 9.556 ( -2.926 -8.123 -4.026) 9.526 12.705 ( 0.465 -6.988 4.138) 8.134 12.715 ( -0.587 -4.343 4.059) 5.973 12.940 ( -1.333 2.156 2.665) 3.677 13.126 ( 0.827 2.670 -3.389) 4.393 13.225 ( -2.077 -3.155 2.812) 4.709 13.299 ( 1.178 -1.581 -1.274) 2.348 13.382 ( -0.947 2.547 2.155) 3.468 13.652 ( 0.349 0.725 -6.192) 6.244 17.771 ( -0.200 0.771 -1.135) 1.386 17.787 ( 0.546 0.154 -1.395) 1.506 17.870 ( -2.252 -0.131 1.779) 2.873 17.916 ( 3.838 -0.281 0.108) 3.850 18.755 ( -1.888 0.184 0.903) 2.100 18.814 ( 1.444 0.050 2.336) 2.747 18.852 ( 1.969 0.328 -2.091) 2.891 18.902 ( -0.865 -0.398 -1.284) 1.598 20.763 ( 1.592 -0.329 1.195) 2.018 20.891 ( -1.574 -2.082 -3.894) 4.688 20.966 ( -0.234 -0.570 2.192) 2.277 21.115 ( -0.081 -2.584 -3.820) 4.613 21.501 ( -4.949 -1.409 -1.431) 5.341 21.533 ( 4.271 -1.276 -2.128) 4.940 21.673 ( -4.168 -2.816 3.011) 5.863 21.709 ( 2.546 -5.097 2.988) 6.433 23.065 ( 1.894 -1.652 0.666) 2.600 23.131 ( -2.362 -1.701 1.826) 3.436 23.145 ( -0.599 -1.450 -1.331) 2.057 23.215 ( 0.664 -2.545 -0.551) 2.687 29.582 ( 0.308 -0.907 -0.595) 1.128 29.589 ( 0.335 -1.272 -0.970) 1.635 29.631 ( -0.316 -0.598 0.502) 0.842 29.657 ( 0.393 -1.302 -0.189) 1.373 33.525 ( 3.741 -2.913 -7.560) 8.924 33.636 ( 3.388 -0.518 -5.734) 6.681 34.378 ( 10.281 -13.389 13.451) 21.585 34.623 ( -7.327 -6.957 -0.729) 10.130 36.650 ( -1.351 0.233 -0.063) 1.373 36.675 ( 1.305 -0.392 -1.727) 2.200 37.207 ( 3.475 -7.493 13.633) 15.940 37.657 ( -2.816 -12.799 -5.024) 14.035 39.765 ( 0.788 4.612 3.306) 5.729 39.809 ( -2.197 10.537 4.009) 11.486 39.994 ( -0.183 2.037 -3.082) 3.699 40.085 ( 2.185 9.034 -5.381) 10.739 40.492 ( 4.457 16.881 5.567) 18.326 40.556 ( -6.528 25.247 0.426) 26.081 40.573 ( 1.132 16.003 1.044) 16.077 40.773 ( 1.732 23.602 -3.464) 23.917 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -23.229 6.964 3.118) 24.450 1.557 ( -15.333 10.347 10.630) 21.335 1.939 ( 15.687 5.031 -9.536) 19.035 2.070 ( -6.952 3.522 -3.949) 8.737 2.225 ( -9.924 14.067 -12.138) 21.064 2.343 ( 2.850 6.890 -1.783) 7.666 2.499 ( 18.063 0.113 0.585) 18.072 2.635 ( 3.581 -0.290 0.891) 3.702 2.734 ( 6.874 3.526 -5.444) 9.451 2.762 ( -13.420 4.547 7.143) 15.868 2.901 ( -6.586 7.562 1.223) 10.102 3.005 ( -19.648 17.096 21.666) 33.878 3.303 ( -0.470 4.492 4.522) 6.391 3.407 ( -8.968 -1.023 -2.904) 9.482 3.512 ( -4.962 4.619 -2.654) 7.280 3.606 ( -6.888 5.878 3.051) 9.556 3.670 ( -5.353 -2.979 -2.174) 6.500 3.808 ( -4.176 4.466 -8.160) 10.197 3.946 ( -2.076 -2.423 -0.672) 3.261 4.073 ( -0.545 2.196 -4.060) 4.648 4.150 ( -4.778 5.684 -0.050) 7.426 4.371 ( 12.103 2.371 -3.472) 12.812 4.463 ( 1.846 -4.077 3.638) 5.768 4.567 ( 1.248 -1.146 -4.101) 4.437 4.681 ( 9.987 -1.534 3.842) 10.810 4.768 ( 3.959 0.742 -3.007) 5.027 5.027 ( 2.955 -5.492 -6.838) 9.255 5.184 ( 0.679 0.593 1.274) 1.561 5.276 ( 3.916 3.716 -7.054) 8.882 5.402 ( 6.436 1.932 -3.359) 7.512 5.456 ( 5.656 -2.944 -0.563) 6.402 5.588 ( 1.153 -1.704 -4.483) 4.932 5.699 ( 2.566 2.335 -3.294) 4.784 5.844 ( 2.740 1.389 1.197) 3.297 5.936 ( 0.050 -1.833 6.204) 6.469 6.151 ( -2.804 -2.322 2.051) 4.179 6.205 ( 0.352 -0.756 3.479) 3.577 6.226 ( -0.749 0.169 2.996) 3.093 6.347 ( 3.077 2.549 5.988) 7.199 6.463 ( 10.568 4.053 4.439) 12.158 6.611 ( -2.822 5.683 -3.214) 7.113 6.623 ( -1.464 7.720 -0.893) 7.908 6.788 ( 0.272 0.940 -2.816) 2.981 6.889 ( 2.219 4.104 -1.635) 4.944 6.970 ( 4.942 5.292 1.325) 7.360 7.010 ( -2.063 4.445 3.529) 6.039 7.102 ( 6.260 12.320 1.791) 13.935 7.201 ( 2.821 -3.703 1.264) 4.824 7.445 ( 1.325 -2.179 1.102) 2.778 7.575 ( -1.367 0.803 -0.736) 1.747 7.725 ( -0.906 2.847 -1.966) 3.577 7.765 ( -2.352 3.039 0.678) 3.902 7.802 ( 1.527 0.857 -3.505) 3.918 8.162 ( -1.609 6.688 -3.719) 7.820 8.213 ( -0.201 3.930 3.033) 4.968 8.466 ( -8.786 -6.697 -5.316) 12.260 8.638 ( -1.282 -10.572 10.559) 14.997 9.079 ( -2.019 7.063 -0.623) 7.372 9.296 ( -5.965 -9.001 0.798) 10.828 9.491 ( -3.339 -4.011 -5.271) 7.417 12.708 ( -0.438 -5.329 4.959) 7.293 12.727 ( 1.129 -5.376 4.072) 6.837 12.920 ( -0.696 1.571 1.169) 2.078 13.119 ( -0.985 3.021 -3.619) 4.816 13.205 ( 0.333 -3.786 0.779) 3.880 13.327 ( 0.781 -1.315 0.907) 1.778 13.367 ( -0.199 2.970 1.115) 3.179 13.639 ( -0.804 0.875 -5.793) 5.913 17.756 ( -0.836 0.818 -0.692) 1.359 17.798 ( -0.126 -0.134 -0.593) 0.621 17.832 ( -0.477 -0.049 -0.396) 0.622 18.003 ( 3.894 -1.853 1.483) 4.560 18.721 ( -1.214 0.535 0.251) 1.351 18.831 ( -1.400 -0.042 0.471) 1.478 18.851 ( 0.521 0.334 1.382) 1.515 18.939 ( 3.126 -0.883 -1.821) 3.723 20.792 ( 0.550 -1.115 1.935) 2.300 20.842 ( -2.625 -2.156 -5.573) 6.526 20.967 ( 0.093 -0.553 1.984) 2.061 21.097 ( -1.213 -2.552 -3.745) 4.691 21.371 ( -6.057 -0.682 -0.651) 6.130 21.546 ( -7.851 -2.957 3.110) 8.948 21.622 ( 3.518 -1.272 -1.461) 4.016 21.746 ( 0.823 -2.540 2.083) 3.386 23.072 ( -2.350 -2.711 2.995) 4.673 23.090 ( -0.373 -2.912 -1.070) 3.124 23.158 ( 1.862 -0.455 -1.459) 2.409 23.227 ( 0.403 -1.700 -0.020) 1.747 29.590 ( 0.490 -1.387 -0.519) 1.560 29.600 ( 0.775 -1.053 -0.579) 1.430 29.624 ( -0.364 -0.615 0.288) 0.771 29.663 ( 0.127 -1.515 -0.110) 1.524 33.584 ( 2.451 -2.519 -6.299) 7.213 33.685 ( 0.594 -0.936 -1.838) 2.146 34.469 ( 2.543 -13.031 1.112) 13.323 34.717 ( 11.024 -18.797 7.971) 23.204 36.643 ( 1.061 0.515 -1.272) 1.734 36.704 ( 1.517 -0.446 -0.414) 1.635 37.258 ( -0.890 -15.880 15.213) 22.009 37.621 ( 0.310 -11.451 -5.710) 12.800 39.779 ( -0.893 6.155 2.928) 6.874 39.793 ( 1.302 8.687 3.169) 9.338 39.978 ( -0.720 1.166 -3.064) 3.357 40.132 ( 2.232 7.970 -4.016) 9.200 40.341 ( -8.551 12.520 -0.438) 15.168 40.392 ( -7.436 13.022 3.167) 15.326 40.752 ( 9.826 23.588 3.132) 25.744 41.174 ( 31.089 45.318 -3.224) 55.052 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -20.611 13.473 9.080) 26.245 1.282 ( -10.524 25.150 17.653) 32.479 1.877 ( -6.727 12.408 -4.437) 14.795 1.913 ( -16.092 5.699 -10.413) 19.997 2.162 ( -16.537 26.425 10.214) 32.804 2.319 ( -9.068 9.893 7.576) 15.410 2.356 ( 7.615 2.069 -0.503) 7.907 2.460 ( -10.274 5.486 3.747) 12.235 2.714 ( -4.529 9.719 5.226) 11.928 2.864 ( 8.586 -1.045 -1.741) 8.822 3.024 ( 14.939 -2.849 -1.857) 15.321 3.082 ( 12.456 -3.059 -9.692) 16.077 3.206 ( -4.555 -2.327 -0.379) 5.129 3.293 ( -0.161 6.999 2.015) 7.285 3.434 ( -1.333 4.104 -4.280) 6.078 3.507 ( -2.603 1.084 -2.787) 3.964 3.579 ( -2.880 0.408 1.948) 3.501 3.712 ( -4.432 4.210 -5.303) 8.092 3.844 ( -5.654 -1.294 -3.161) 6.606 3.985 ( -4.434 4.449 -4.134) 7.519 4.090 ( -3.860 9.656 4.058) 11.163 4.502 ( 1.133 -2.956 2.779) 4.212 4.538 ( 3.838 -4.121 -8.550) 10.238 4.605 ( 2.276 -3.230 -5.875) 7.080 4.791 ( 1.636 -0.138 1.877) 2.493 4.887 ( 2.290 1.012 0.183) 2.510 5.060 ( 1.578 -3.421 -7.194) 8.121 5.215 ( -0.527 -0.444 -1.296) 1.468 5.314 ( 2.829 2.401 -4.364) 5.728 5.460 ( 2.441 -0.268 -2.463) 3.478 5.533 ( 2.636 -2.322 2.960) 4.594 5.729 ( 7.389 -3.590 -1.883) 8.428 5.791 ( 3.085 -1.793 -1.318) 3.804 5.893 ( 2.371 -1.998 4.340) 5.334 5.995 ( 3.104 -2.344 -0.552) 3.929 6.079 ( -2.436 -1.929 6.732) 7.415 6.188 ( -2.034 -0.319 3.108) 3.728 6.231 ( 0.253 1.777 0.161) 1.802 6.468 ( 6.562 -0.335 5.937) 8.856 6.564 ( 0.098 4.226 -3.877) 5.736 6.574 ( -2.616 6.613 0.198) 7.115 6.710 ( 8.868 0.520 5.076) 10.232 6.822 ( 3.068 -0.165 -1.137) 3.276 6.947 ( 2.056 4.802 1.131) 5.345 6.967 ( -1.458 3.448 0.634) 3.797 7.094 ( 5.438 4.574 0.068) 7.106 7.143 ( 0.407 -1.297 -0.477) 1.440 7.271 ( -0.017 2.071 1.183) 2.385 7.441 ( -1.242 1.932 3.627) 4.293 7.622 ( 3.170 1.948 -1.787) 4.127 7.727 ( 0.769 -0.243 1.666) 1.851 7.736 ( 0.581 0.163 2.333) 2.410 7.851 ( 4.083 0.318 -4.390) 6.004 7.995 ( -7.590 5.092 6.188) 11.038 8.244 ( -3.275 4.256 -7.501) 9.225 8.341 ( -2.848 4.996 -2.389) 6.227 8.612 ( 3.255 -0.246 4.519) 5.575 8.869 ( -13.456 2.978 8.951) 16.433 9.197 ( -5.020 3.083 -0.765) 5.940 9.438 ( -0.206 -2.268 -12.517) 12.723 12.701 ( -1.010 -4.140 6.375) 7.668 12.752 ( 0.140 -3.501 5.347) 6.393 12.925 ( 1.586 1.096 -1.802) 2.639 13.089 ( -1.079 2.520 -4.996) 5.699 13.236 ( 1.669 -3.417 0.939) 3.917 13.322 ( -0.429 0.157 2.904) 2.939 13.382 ( 0.964 0.614 -2.129) 2.416 13.608 ( -1.414 -1.383 -5.137) 5.505 17.740 ( -0.445 0.570 -0.148) 0.738 17.776 ( -1.110 0.120 -0.149) 1.126 17.857 ( 2.091 -0.282 -0.368) 2.141 18.062 ( 0.098 -6.112 1.958) 6.418 18.706 ( -0.170 0.768 0.102) 0.793 18.792 ( -1.637 0.365 -0.700) 1.818 18.868 ( 0.359 -0.151 2.969) 2.995 18.998 ( 2.051 -2.288 -1.156) 3.283 20.725 ( -4.931 -1.542 -3.991) 6.529 20.820 ( -0.105 -0.925 2.078) 2.277 20.973 ( 0.180 -0.435 1.497) 1.569 21.061 ( -1.388 -1.558 -2.272) 3.084 21.261 ( -3.743 0.042 0.371) 3.762 21.358 ( -8.684 -1.666 1.347) 8.944 21.684 ( 2.336 -0.994 -0.572) 2.603 21.753 ( -0.299 -1.436 0.971) 1.759 23.024 ( -1.914 -2.280 2.537) 3.911 23.090 ( 0.562 -4.596 -1.923) 5.013 23.199 ( 1.686 0.070 -0.907) 1.916 23.230 ( -0.144 -0.916 0.025) 0.928 29.600 ( 0.328 -1.263 -0.035) 1.306 29.615 ( 0.199 -1.063 0.550) 1.213 29.619 ( 0.300 -0.886 -0.686) 1.160 29.661 ( -0.357 -1.886 -0.013) 1.920 33.623 ( 1.029 -1.763 -2.272) 3.054 33.652 ( -1.940 -0.703 0.272) 2.081 34.563 ( -0.447 -27.006 16.472) 31.636 34.954 ( 10.963 -24.142 -4.237) 26.851 36.700 ( 4.168 -0.098 -1.910) 4.586 36.737 ( 1.251 -0.544 0.714) 1.540 37.200 ( -5.744 -22.144 15.040) 27.378 37.621 ( -0.903 -18.029 -5.505) 18.873 39.774 ( 0.051 6.198 1.909) 6.485 39.822 ( 0.823 7.914 2.308) 8.284 39.972 ( 0.929 0.449 -2.159) 2.393 40.138 ( -2.875 3.686 -1.844) 5.025 40.216 ( -1.759 10.551 -1.126) 10.755 40.265 ( -4.172 11.568 0.814) 12.324 40.961 ( 8.391 30.041 9.515) 32.610 42.076 ( 49.867 59.963 -26.107) 82.242 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 7.082 19.394 13.222) 24.517 1.583 ( -8.870 21.030 12.875) 26.205 1.856 ( -5.218 11.300 -12.683) 17.771 2.190 ( -2.160 4.386 -0.194) 4.893 2.244 ( 3.253 16.447 3.715) 17.172 2.399 ( -1.770 3.307 7.657) 8.527 2.540 ( 6.563 0.780 -1.405) 6.757 2.714 ( -2.041 19.542 -4.270) 20.107 2.839 ( -7.928 6.050 7.434) 12.439 2.922 ( -2.666 -1.655 -4.381) 5.389 3.016 ( 4.941 -0.435 2.324) 5.478 3.166 ( 7.468 -5.952 -6.958) 11.816 3.266 ( -2.226 -2.798 -5.671) 6.704 3.294 ( 8.338 -2.496 -6.437) 10.826 3.547 ( 3.420 4.851 -0.970) 6.014 3.637 ( -1.804 4.059 0.940) 4.540 3.664 ( -2.354 9.444 1.764) 9.891 3.706 ( -1.410 9.179 4.154) 10.173 3.905 ( 1.645 9.944 -3.041) 10.528 4.052 ( 0.942 5.917 -1.635) 6.210 4.231 ( -2.687 15.080 0.052) 15.317 4.397 ( -1.864 -5.771 -3.750) 7.130 4.444 ( -1.009 -1.542 -5.862) 6.145 4.649 ( 2.812 -0.522 -2.099) 3.548 4.836 ( 0.278 1.453 2.537) 2.937 4.964 ( 1.508 2.695 -4.929) 5.817 5.002 ( -0.210 -4.483 1.411) 4.705 5.107 ( -1.868 -0.351 -6.322) 6.602 5.349 ( -2.889 -0.494 -0.365) 2.953 5.437 ( 2.681 -3.248 -2.066) 4.691 5.505 ( -1.101 -4.596 -1.144) 4.862 5.726 ( -1.035 -4.183 1.333) 4.511 5.768 ( -2.944 -0.431 1.518) 3.340 5.845 ( 6.035 -5.879 -3.910) 9.289 5.980 ( -2.401 1.505 5.743) 6.404 6.011 ( 2.605 -1.432 4.782) 5.631 6.246 ( -1.228 6.095 0.858) 6.277 6.294 ( 0.309 1.468 0.382) 1.548 6.545 ( 0.461 -3.323 3.629) 4.942 6.605 ( -1.046 2.171 3.569) 4.306 6.707 ( -0.678 2.900 -1.943) 3.556 6.798 ( 1.561 3.144 -2.157) 4.120 6.990 ( 1.950 6.516 1.770) 7.028 7.008 ( 0.660 7.060 1.151) 7.184 7.062 ( 4.550 -1.163 0.596) 4.734 7.081 ( -4.913 3.326 0.285) 5.940 7.236 ( -1.537 0.729 2.388) 2.932 7.306 ( 2.750 1.413 -0.393) 3.117 7.404 ( 0.378 -1.064 1.740) 2.074 7.602 ( -3.033 0.002 1.560) 3.411 7.663 ( -4.450 2.017 0.097) 4.887 7.816 ( 4.621 0.720 0.959) 4.774 7.884 ( -3.579 -2.122 3.086) 5.180 8.048 ( -1.156 6.442 2.702) 7.081 8.173 ( -6.992 5.457 5.745) 10.567 8.379 ( -0.374 7.514 3.948) 8.496 8.770 ( 2.233 -1.065 -4.155) 4.836 8.961 ( 6.380 -1.800 -4.349) 7.929 9.307 ( 3.656 4.053 -7.570) 9.332 9.410 ( 0.261 0.588 -5.307) 5.346 12.609 ( -0.904 -3.153 4.842) 5.849 12.699 ( -0.143 -1.519 1.144) 1.907 12.984 ( 3.263 -1.812 -3.781) 5.313 13.030 ( 0.148 -4.200 -2.428) 4.853 13.223 ( -1.850 1.378 0.330) 2.331 13.332 ( 2.190 -3.623 -1.808) 4.603 13.416 ( 1.901 2.628 2.356) 4.008 13.499 ( -4.844 -1.054 0.363) 4.971 17.742 ( -0.497 -0.340 0.424) 0.736 17.766 ( -0.035 0.549 -0.457) 0.715 17.855 ( -2.130 -0.771 2.134) 3.112 17.924 ( 0.342 -1.420 0.839) 1.685 18.738 ( 0.688 1.561 0.485) 1.774 18.781 ( -0.606 1.054 -0.532) 1.327 18.857 ( -0.722 -0.605 2.634) 2.797 18.955 ( -0.323 -1.980 -0.642) 2.106 20.718 ( 2.720 -0.884 1.769) 3.363 20.771 ( -1.005 -1.363 -0.409) 1.743 20.968 ( 0.021 -0.379 0.869) 0.948 21.021 ( 0.012 -1.317 -1.098) 1.715 21.221 ( 0.055 0.184 0.208) 0.283 21.237 ( -0.407 -0.219 -0.305) 0.554 21.696 ( 0.772 -1.411 0.322) 1.640 21.708 ( -0.875 -1.512 -0.137) 1.752 22.982 ( -0.193 -1.206 -0.930) 1.535 23.031 ( 1.267 -1.733 -1.076) 2.402 23.198 ( -0.507 -1.569 0.012) 1.649 23.208 ( 0.491 -1.319 -0.392) 1.461 29.577 ( -0.315 -1.201 0.025) 1.242 29.588 ( 0.506 -1.527 -0.328) 1.642 29.600 ( 0.206 -1.678 0.334) 1.723 29.607 ( -0.690 -1.588 0.263) 1.751 33.567 ( -2.060 -0.642 1.412) 2.578 33.632 ( -0.394 -2.732 -0.854) 2.889 33.828 ( -10.178 -10.974 24.145) 28.408 34.728 ( 6.667 -23.179 -11.857) 26.876 36.715 ( -1.912 -0.577 0.022) 1.998 36.755 ( 1.215 -0.755 -0.920) 1.701 36.893 ( -0.145 -5.180 7.525) 9.137 37.226 ( 0.712 -14.745 -5.504) 15.755 39.886 ( -0.628 5.605 1.609) 5.865 39.970 ( 0.573 5.737 -1.240) 5.897 40.064 ( 1.166 2.782 0.331) 3.035 40.106 ( -0.659 2.604 -1.249) 2.962 40.512 ( 0.749 15.913 0.246) 15.932 40.570 ( -1.270 20.180 -2.186) 20.338 41.826 ( 1.035 33.670 20.400) 39.381 43.227 ( -3.978 11.843 -37.110) 39.156 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.223 17.853 15.671) 23.973 1.555 ( 15.970 21.320 7.946) 27.797 1.767 ( -1.037 11.499 -7.962) 14.025 2.166 ( 4.157 8.334 -5.386) 10.759 2.355 ( 1.144 15.477 2.764) 15.764 2.495 ( 4.099 3.004 5.709) 7.643 2.603 ( -8.303 -2.625 -1.722) 8.877 2.659 ( 5.550 14.929 -4.594) 16.576 2.803 ( 11.363 7.255 -0.138) 13.482 2.933 ( -0.650 2.497 1.120) 2.813 3.059 ( -0.615 -4.605 -0.534) 4.676 3.213 ( 4.092 4.292 0.348) 5.940 3.273 ( 0.491 1.381 -3.170) 3.492 3.448 ( 6.349 -3.192 -7.458) 10.301 3.512 ( -2.640 1.754 -3.728) 4.894 3.630 ( -0.971 2.997 3.499) 4.708 3.716 ( 4.412 7.650 4.806) 10.054 3.756 ( 4.383 10.081 1.882) 11.153 3.960 ( 2.810 2.966 2.081) 4.585 4.034 ( -0.128 2.580 -5.303) 5.899 4.236 ( -0.611 12.253 -2.360) 12.493 4.386 ( 2.271 -0.088 0.253) 2.286 4.413 ( -1.266 0.579 -5.973) 6.133 4.691 ( 1.734 -1.880 -4.864) 5.495 4.858 ( -2.214 -3.444 3.696) 5.516 4.903 ( -2.281 -2.876 1.509) 3.969 5.011 ( -1.644 -4.655 -0.076) 4.937 5.080 ( -0.685 2.574 -8.853) 9.245 5.231 ( -6.599 1.643 -3.465) 7.632 5.396 ( -3.108 -4.181 -0.242) 5.215 5.520 ( 1.131 -0.505 -6.356) 6.475 5.686 ( -2.252 -1.456 1.747) 3.201 5.728 ( -1.225 2.123 -1.559) 2.905 5.904 ( -3.695 -5.990 4.359) 8.278 5.961 ( 2.973 2.110 -0.735) 3.719 6.055 ( 0.241 -2.158 7.128) 7.451 6.224 ( -0.494 6.045 -0.607) 6.095 6.291 ( 0.520 2.117 1.859) 2.865 6.513 ( -3.449 -4.053 2.925) 6.073 6.577 ( -2.965 1.947 5.174) 6.273 6.667 ( -1.996 1.175 -1.420) 2.717 6.842 ( 1.630 4.475 -3.395) 5.849 6.938 ( -2.158 6.030 3.083) 7.108 6.950 ( -4.180 5.578 -1.143) 7.063 7.071 ( -0.518 3.259 1.305) 3.549 7.139 ( -3.954 1.249 2.347) 4.765 7.210 ( 4.629 4.714 -0.916) 6.670 7.360 ( -6.511 1.025 2.708) 7.125 7.397 ( 1.516 -2.043 4.059) 4.790 7.583 ( 5.430 4.068 0.677) 6.818 7.629 ( 2.996 2.277 -3.636) 5.233 7.746 ( -3.567 1.553 1.765) 4.272 7.952 ( 3.778 0.034 -2.817) 4.713 8.041 ( 0.302 9.656 5.080) 10.915 8.175 ( 3.500 2.737 0.437) 4.465 8.416 ( 5.498 3.762 0.810) 6.711 8.738 ( -6.012 -3.461 -1.509) 7.100 8.971 ( -3.281 -1.383 2.763) 4.507 9.340 ( -2.477 -1.590 -5.560) 6.291 9.440 ( 3.545 -1.585 -4.521) 5.959 12.589 ( -1.108 -3.297 3.623) 5.022 12.698 ( -0.336 -0.698 -0.158) 0.790 13.005 ( -0.411 -2.061 -0.164) 2.108 13.058 ( 2.155 -0.438 -1.160) 2.487 13.207 ( 0.588 -1.163 -2.478) 2.800 13.355 ( -2.755 -0.704 2.103) 3.537 13.394 ( -1.095 -1.733 2.231) 3.030 13.503 ( 4.516 -1.596 -3.287) 5.809 17.737 ( 0.346 -0.632 -0.026) 0.721 17.783 ( 1.665 0.672 -0.559) 1.880 17.821 ( -0.576 1.191 -0.087) 1.326 17.935 ( -0.284 -0.850 2.461) 2.619 18.759 ( 1.137 1.296 0.706) 1.863 18.780 ( 0.567 0.931 -0.648) 1.268 18.836 ( -1.334 -0.300 2.070) 2.481 18.945 ( -0.600 -1.336 -0.703) 1.625 20.718 ( -0.769 -0.499 -0.874) 1.267 20.824 ( 3.142 -4.665 0.655) 5.663 20.965 ( -0.332 -0.452 1.043) 1.184 21.027 ( 0.644 -2.205 -1.295) 2.637 21.271 ( 4.199 -0.559 0.423) 4.257 21.306 ( 6.317 -1.250 0.096) 6.440 21.663 ( -2.747 -1.368 -0.408) 3.096 21.705 ( -0.490 -1.862 0.628) 2.026 22.986 ( 0.584 -0.682 -0.998) 1.343 23.057 ( 1.270 -2.607 -0.013) 2.900 23.178 ( -1.270 -1.583 -0.531) 2.097 23.204 ( -0.813 -1.431 0.048) 1.646 29.568 ( -0.416 -1.057 -0.228) 1.159 29.585 ( -0.973 -1.239 0.298) 1.603 29.602 ( 0.709 -1.525 -0.397) 1.728 29.608 ( 0.191 -1.639 0.438) 1.707 33.487 ( -6.145 -1.174 6.810) 9.247 33.561 ( -0.774 -0.118 -0.303) 0.840 33.825 ( 4.650 -5.377 7.995) 10.698 34.744 ( -4.058 -21.944 -5.205) 22.915 36.668 ( -1.563 0.352 -0.827) 1.803 36.741 ( -2.136 -0.514 0.042) 2.198 36.926 ( 2.526 -4.705 6.313) 8.269 37.294 ( 4.511 -16.304 -4.262) 17.445 39.841 ( -1.427 4.441 1.003) 4.772 40.013 ( -1.480 1.645 -0.411) 2.250 40.081 ( 6.789 9.634 -0.462) 11.794 40.247 ( 8.293 6.390 -0.938) 10.511 40.515 ( -1.570 19.432 -1.694) 19.569 40.544 ( 2.164 14.865 1.051) 15.058 41.727 ( -11.874 31.382 18.320) 38.229 42.673 ( -36.877 27.002 -27.324) 53.251 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.245 21.560 8.979) 23.936 1.777 ( 6.257 12.534 -1.597) 14.099 1.961 ( 12.216 11.193 4.859) 17.266 2.231 ( -3.889 5.338 -2.988) 7.249 2.297 ( -0.788 6.214 -1.625) 6.471 2.466 ( -2.074 8.515 -5.489) 10.341 2.571 ( 0.903 6.120 2.406) 6.638 2.783 ( -8.172 0.159 -0.007) 8.174 2.863 ( 12.659 8.624 -6.729) 16.730 3.032 ( 1.653 9.983 -1.383) 10.213 3.192 ( 7.958 9.328 7.171) 14.204 3.287 ( 1.174 5.296 2.372) 5.920 3.303 ( 6.375 -0.250 1.894) 6.655 3.541 ( 5.883 0.260 1.293) 6.029 3.594 ( 9.056 -1.321 -7.738) 11.984 3.626 ( 0.565 -0.993 2.677) 2.911 3.775 ( -0.573 8.798 0.075) 8.817 3.840 ( 5.903 4.622 1.340) 7.616 4.016 ( -2.088 -1.946 -6.873) 7.442 4.082 ( 5.308 -0.438 1.562) 5.550 4.172 ( -1.623 10.525 -0.152) 10.650 4.347 ( -3.902 -2.269 -1.008) 4.625 4.410 ( -3.623 1.501 5.044) 6.389 4.704 ( -8.621 -1.295 5.062) 10.081 4.777 ( 6.163 -1.482 -10.727) 12.460 4.810 ( -6.021 -2.588 3.179) 7.284 4.897 ( -10.362 -1.265 -3.269) 10.939 5.071 ( -0.503 0.399 -6.155) 6.189 5.147 ( 1.249 4.156 -5.834) 7.271 5.361 ( -0.110 -4.741 -1.762) 5.059 5.517 ( -0.879 4.519 -5.063) 6.843 5.655 ( -0.584 -0.406 -0.033) 0.712 5.715 ( 1.097 3.010 -5.177) 6.088 5.770 ( -7.736 -3.036 4.748) 9.571 6.031 ( 2.063 -1.150 3.176) 3.958 6.045 ( -0.939 -0.903 6.680) 6.806 6.248 ( 2.962 4.952 -0.152) 5.773 6.312 ( -0.417 0.518 4.807) 4.853 6.414 ( -5.302 -0.899 2.750) 6.040 6.473 ( -5.160 2.451 3.133) 6.516 6.678 ( 3.472 0.243 -4.005) 5.306 6.834 ( -1.550 4.406 -2.755) 5.423 6.883 ( -1.822 4.163 -2.570) 5.221 6.936 ( 0.074 6.219 1.407) 6.376 7.005 ( -3.140 2.377 0.435) 3.962 7.084 ( -2.373 4.966 4.294) 6.981 7.200 ( -2.756 8.855 3.173) 9.801 7.287 ( 1.027 4.313 -0.295) 4.444 7.423 ( -0.507 2.351 1.653) 2.919 7.629 ( -1.121 1.156 -4.914) 5.171 7.721 ( 3.228 2.546 1.454) 4.361 7.865 ( 11.448 6.319 -0.319) 13.080 7.969 ( 0.346 3.408 -3.597) 4.967 8.078 ( 0.324 9.176 3.529) 9.837 8.236 ( 3.403 -2.578 0.527) 4.302 8.536 ( -10.408 -7.615 4.722) 13.733 8.609 ( 7.555 -0.883 -1.552) 7.763 8.865 ( -3.822 -0.107 -0.539) 3.861 9.319 ( 1.147 -4.865 -2.737) 5.699 9.445 ( -2.803 -4.639 -0.884) 5.492 12.578 ( -0.225 -3.623 3.034) 4.731 12.673 ( -1.941 -1.564 1.258) 2.792 12.988 ( -1.244 -0.621 3.375) 3.650 13.108 ( 2.366 -1.804 -3.210) 4.377 13.216 ( -0.560 -1.510 0.699) 1.756 13.272 ( -2.500 -0.355 -0.198) 2.532 13.411 ( 0.904 0.045 2.383) 2.549 13.592 ( 3.726 -2.671 -5.511) 7.169 17.754 ( 1.033 -0.389 -0.746) 1.333 17.814 ( 0.001 1.056 -2.098) 2.349 17.836 ( 2.857 0.348 0.117) 2.880 17.911 ( -1.982 -0.661 2.846) 3.531 18.785 ( 0.705 0.772 0.580) 1.195 18.795 ( 0.097 0.364 2.159) 2.192 18.818 ( 0.714 0.460 -1.400) 1.637 18.925 ( -1.187 -0.753 -0.810) 1.623 20.725 ( 1.247 -0.171 -0.345) 1.305 20.857 ( 0.169 -3.657 -1.046) 3.808 20.957 ( -0.475 -0.695 1.350) 1.591 21.040 ( 0.619 -3.504 -1.928) 4.047 21.380 ( 5.472 -1.371 -0.125) 5.642 21.467 ( 7.418 -4.046 1.109) 8.522 21.587 ( -4.243 -1.315 -0.664) 4.492 21.677 ( -2.317 -2.711 1.009) 3.706 23.004 ( 1.229 -0.396 0.054) 1.293 23.090 ( 1.638 -2.769 0.882) 3.335 23.144 ( -1.777 -1.724 -1.325) 2.808 23.175 ( -1.759 -1.634 0.325) 2.423 29.562 ( -0.075 -0.941 -0.447) 1.044 29.567 ( -0.631 -1.032 0.000) 1.209 29.611 ( -0.033 -1.580 0.469) 1.648 29.616 ( 0.565 -1.592 -0.373) 1.730 33.429 ( 0.202 -0.830 0.774) 1.153 33.572 ( 1.669 -0.486 -3.708) 4.095 33.958 ( 6.208 -8.342 7.705) 12.942 34.583 ( -9.202 -17.234 -1.304) 19.581 36.654 ( 0.203 0.293 -1.301) 1.349 36.692 ( -1.997 0.232 0.199) 2.020 36.998 ( 2.986 -5.683 6.476) 9.119 37.357 ( 1.360 -16.139 -3.885) 16.656 39.845 ( 1.535 5.444 1.133) 5.769 39.997 ( -0.638 2.852 -0.526) 2.969 40.183 ( 1.935 13.514 0.417) 13.658 40.320 ( -1.901 12.634 -2.454) 13.009 40.606 ( 11.315 15.961 1.458) 19.619 40.716 ( 14.692 16.185 1.071) 21.885 41.403 ( -17.977 27.353 9.940) 34.208 41.841 ( -34.771 31.565 -12.774) 48.668 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 8.343 15.727 2.949) 18.046 1.946 ( 6.022 7.366 -0.255) 9.518 2.014 ( -10.103 5.808 5.896) 13.061 2.117 ( 0.873 7.346 -2.412) 7.781 2.310 ( 0.909 10.184 -1.215) 10.297 2.492 ( 4.604 8.551 -9.144) 13.339 2.576 ( -0.631 5.360 2.245) 5.846 2.656 ( -2.431 6.055 1.329) 6.659 2.909 ( -8.271 11.057 -0.962) 13.842 3.044 ( 3.369 6.062 -3.612) 7.820 3.159 ( -8.772 5.624 5.314) 11.697 3.427 ( 5.131 6.239 7.849) 11.263 3.486 ( 4.629 6.447 -1.168) 8.023 3.574 ( -4.289 -1.173 0.794) 4.517 3.648 ( 1.513 -4.234 -0.601) 4.536 3.725 ( -3.969 1.785 -1.663) 4.658 3.827 ( 3.089 1.547 -3.860) 5.180 3.869 ( 0.273 6.126 1.476) 6.308 3.937 ( -4.319 -3.368 -6.719) 8.669 4.101 ( 2.707 5.780 -1.732) 6.613 4.277 ( 0.649 4.261 3.912) 5.821 4.328 ( 4.769 -0.336 4.043) 6.261 4.356 ( 6.590 0.777 7.339) 9.894 4.580 ( -8.680 5.824 -6.692) 12.411 4.608 ( -5.283 -2.292 1.513) 5.954 4.690 ( -1.932 0.061 1.764) 2.617 4.934 ( 2.034 -0.893 -9.936) 10.181 5.076 ( 5.801 -3.142 -11.491) 13.250 5.198 ( 2.253 2.677 0.268) 3.509 5.343 ( -2.034 -1.119 -1.628) 2.836 5.499 ( -0.266 4.211 0.188) 4.223 5.586 ( -5.016 -3.577 1.173) 6.272 5.721 ( 3.575 -0.150 -2.134) 4.166 5.756 ( 2.417 1.729 -5.375) 6.142 5.977 ( -3.976 -0.141 8.129) 9.050 6.109 ( 2.041 -5.300 4.778) 7.422 6.222 ( -3.957 3.130 3.584) 6.188 6.303 ( -1.954 3.232 4.582) 5.938 6.389 ( 2.971 3.919 0.234) 4.924 6.418 ( 0.679 4.255 -0.089) 4.310 6.773 ( 3.290 0.114 -4.534) 5.603 6.793 ( -0.732 4.924 -3.449) 6.056 6.865 ( -1.815 1.221 -1.763) 2.810 6.876 ( -1.068 1.353 -2.804) 3.292 7.036 ( 4.205 8.692 3.144) 10.155 7.069 ( 1.075 5.787 1.033) 5.976 7.187 ( 0.483 6.014 5.698) 8.299 7.293 ( -1.445 9.736 1.366) 9.937 7.402 ( 0.138 3.887 1.000) 4.016 7.596 ( -1.408 -0.180 -3.511) 3.787 7.772 ( 1.175 2.398 0.401) 2.700 7.915 ( -1.895 5.115 -1.120) 5.569 8.004 ( -3.986 10.400 2.199) 11.353 8.175 ( 10.595 5.738 -5.517) 13.252 8.310 ( -1.671 -5.511 3.510) 6.744 8.356 ( -1.405 -8.818 1.259) 9.018 8.557 ( -8.730 0.566 8.170) 11.969 8.984 ( 10.916 -2.551 -11.003) 15.707 9.326 ( -6.865 -2.420 2.967) 7.861 9.355 ( 0.732 -9.787 -0.992) 9.864 12.588 ( 0.869 -3.429 2.596) 4.387 12.631 ( -1.663 -3.102 2.582) 4.365 12.959 ( -1.772 -0.729 3.145) 3.683 13.118 ( -1.859 -5.376 1.494) 5.882 13.194 ( 0.247 2.182 -1.635) 2.738 13.274 ( 1.699 -0.333 -1.646) 2.389 13.423 ( -0.160 1.118 1.553) 1.920 13.644 ( 1.573 -1.773 -5.279) 5.787 17.774 ( 0.858 -0.192 -0.942) 1.288 17.803 ( -0.688 1.026 -1.795) 2.179 17.865 ( -2.299 -0.434 1.896) 3.011 17.904 ( 3.032 -0.814 0.516) 3.181 18.764 ( -1.409 0.794 0.904) 1.853 18.817 ( 0.996 0.250 2.099) 2.337 18.858 ( 2.360 0.139 -2.124) 3.178 18.894 ( -1.398 -0.320 -0.741) 1.614 20.756 ( 1.235 -0.323 0.907) 1.566 20.839 ( -1.482 -2.566 -2.343) 3.778 20.950 ( -0.248 -0.864 1.481) 1.732 21.045 ( 0.053 -3.676 -2.218) 4.294 21.473 ( -3.190 -1.102 -0.046) 3.375 21.502 ( 2.779 -1.468 -1.030) 3.307 21.597 ( -0.417 -3.999 1.360) 4.245 21.610 ( 0.646 -3.763 1.070) 3.966 23.032 ( 0.686 -1.161 0.912) 1.628 23.098 ( -2.045 -1.464 0.721) 2.616 23.112 ( -0.095 -1.359 -0.976) 1.676 23.156 ( 0.890 -2.625 -0.246) 2.783 29.559 ( -0.108 -1.085 -0.202) 1.108 29.565 ( 0.370 -1.022 -0.507) 1.199 29.608 ( -0.255 -1.508 0.385) 1.577 29.625 ( 0.286 -1.665 -0.249) 1.707 33.466 ( 2.740 -2.394 -2.241) 4.273 33.616 ( 2.547 -1.497 -5.110) 5.903 34.085 ( 3.873 -13.164 11.566) 17.947 34.403 ( -5.871 -13.122 -2.865) 14.658 36.660 ( -0.762 0.883 -0.359) 1.220 36.668 ( 0.942 -0.140 -0.860) 1.283 37.046 ( 0.132 -7.489 7.419) 10.543 37.356 ( -0.506 -14.544 -4.626) 15.270 39.890 ( 1.461 6.952 1.548) 7.270 39.963 ( -1.863 4.570 -0.667) 4.980 40.189 ( -1.018 13.986 1.163) 14.071 40.289 ( 0.847 10.418 -2.726) 10.802 40.895 ( 8.762 20.307 6.556) 23.068 40.963 ( -8.733 19.972 4.615) 22.281 41.159 ( -8.831 27.461 -4.343) 29.171 41.289 ( 10.954 22.935 -5.803) 26.070 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -18.360 13.052 3.221) 22.756 1.854 ( -0.203 15.881 8.521) 18.024 2.075 ( 8.529 8.420 -4.712) 12.878 2.144 ( -3.363 5.022 -0.910) 6.112 2.389 ( 7.468 1.035 0.150) 7.541 2.439 ( -10.476 4.573 5.645) 12.749 2.642 ( 3.002 2.153 -1.877) 4.144 2.662 ( 4.045 9.898 -7.187) 12.883 2.800 ( 0.475 4.102 -1.648) 4.447 2.932 ( -7.389 9.176 -3.279) 12.229 3.068 ( -3.904 6.492 0.218) 7.578 3.280 ( -14.467 2.448 0.599) 14.685 3.320 ( -12.222 0.336 2.871) 12.559 3.521 ( -10.110 1.410 3.253) 10.714 3.566 ( 2.006 4.384 2.913) 5.633 3.668 ( -4.252 6.008 0.018) 7.360 3.771 ( -3.245 10.896 0.162) 11.370 3.857 ( -0.721 1.645 -1.856) 2.582 3.986 ( 1.002 5.780 -1.529) 6.063 4.096 ( -0.097 1.191 -3.298) 3.507 4.334 ( -4.268 11.588 2.075) 12.522 4.372 ( 2.668 -3.854 3.101) 5.620 4.467 ( 5.635 4.829 -6.052) 9.576 4.539 ( 0.307 -1.297 -2.211) 2.581 4.664 ( 11.245 0.686 -1.584) 11.377 4.788 ( 7.097 1.147 2.728) 7.690 4.925 ( 1.121 -3.972 -7.781) 8.808 5.175 ( -1.722 -10.360 0.027) 10.502 5.221 ( 3.485 -3.553 -2.489) 5.564 5.348 ( 3.116 3.656 -5.807) 7.536 5.526 ( 3.157 2.454 0.583) 4.041 5.540 ( 0.909 -2.669 -1.543) 3.214 5.758 ( 0.354 2.140 -6.721) 7.063 5.847 ( 5.378 -1.801 0.665) 5.710 5.901 ( -3.549 -0.241 7.448) 8.254 6.074 ( -3.753 -2.538 4.491) 6.379 6.211 ( 1.220 0.995 -0.709) 1.726 6.284 ( -0.502 4.496 4.178) 6.157 6.422 ( 2.809 3.496 3.234) 5.529 6.523 ( 5.375 2.626 3.626) 6.995 6.745 ( -1.753 4.851 -2.704) 5.824 6.795 ( -2.008 2.399 -2.078) 3.756 6.827 ( 0.858 5.411 -1.224) 5.613 6.913 ( 2.455 -2.022 -1.402) 3.476 7.098 ( 1.036 6.742 0.964) 6.889 7.127 ( 1.965 2.539 3.129) 4.483 7.193 ( -0.569 9.256 3.829) 10.033 7.317 ( 2.080 5.007 -0.295) 5.430 7.432 ( 3.417 1.949 2.225) 4.519 7.565 ( -0.824 -0.355 -2.210) 2.385 7.789 ( 1.213 1.000 -2.082) 2.609 7.864 ( -2.552 4.574 -1.549) 5.462 7.885 ( -6.291 7.333 -0.217) 9.665 8.228 ( -2.570 3.345 1.364) 4.433 8.318 ( -0.133 -0.777 -1.646) 1.825 8.406 ( -2.095 -0.427 5.420) 5.827 8.446 ( 5.997 -0.663 -0.455) 6.051 9.094 ( -8.390 -7.739 4.110) 12.131 9.220 ( 5.528 4.257 -7.722) 10.407 9.366 ( -0.386 -6.529 0.053) 6.541 12.605 ( -0.005 -3.567 3.195) 4.789 12.635 ( 2.138 -3.391 1.991) 4.476 12.924 ( -1.478 -1.558 1.002) 2.369 13.071 ( -2.001 -6.142 0.683) 6.495 13.208 ( 0.942 2.668 -2.352) 3.679 13.320 ( 2.226 0.877 0.245) 2.405 13.403 ( -1.761 0.682 0.833) 2.064 13.646 ( -0.924 -0.607 -3.656) 3.819 17.773 ( -0.939 0.608 -0.794) 1.371 17.796 ( -0.037 0.128 -1.110) 1.118 17.828 ( -0.581 -0.383 0.160) 0.714 17.958 ( 1.484 -2.335 1.711) 3.253 18.740 ( -0.847 1.314 0.312) 1.595 18.829 ( -0.499 -0.053 1.706) 1.778 18.860 ( -0.570 0.487 0.070) 0.753 18.915 ( 2.342 -1.232 -1.536) 3.060 20.760 ( -1.706 -1.599 -0.049) 2.339 20.800 ( -1.056 -1.672 -1.349) 2.394 20.952 ( 0.279 -0.755 1.234) 1.474 21.038 ( -0.451 -2.842 -1.763) 3.375 21.360 ( -5.244 -0.274 0.142) 5.253 21.475 ( -7.016 -3.330 0.855) 7.813 21.591 ( 3.791 -1.474 -0.695) 4.127 21.684 ( 2.386 -3.086 1.019) 4.032 23.021 ( -1.060 -1.867 0.094) 2.149 23.045 ( -2.524 -1.067 0.792) 2.852 23.140 ( 2.235 -1.084 -1.114) 2.723 23.184 ( 1.142 -2.233 0.228) 2.518 29.561 ( 0.343 -1.251 -0.277) 1.326 29.576 ( 0.621 -1.216 -0.235) 1.386 29.601 ( -0.389 -1.449 0.205) 1.514 29.627 ( -0.081 -1.786 -0.067) 1.789 33.526 ( 2.852 -2.736 -2.426) 4.638 33.650 ( 0.391 -2.388 -2.142) 3.231 34.126 ( -1.262 -16.183 15.205) 22.241 34.374 ( 3.799 -14.654 -7.510) 16.899 36.660 ( 0.965 1.151 -1.088) 1.855 36.693 ( 1.388 -0.503 -0.154) 1.485 37.012 ( -3.722 -8.598 7.320) 11.890 37.334 ( -1.306 -14.057 -4.564) 14.837 39.869 ( -2.015 4.895 1.500) 5.502 39.964 ( 1.027 4.189 -0.770) 4.381 40.159 ( -2.101 14.515 0.024) 14.666 40.325 ( 1.077 10.375 -1.838) 10.592 40.641 ( -12.699 15.315 1.115) 19.927 40.723 ( -12.417 16.751 0.839) 20.868 41.324 ( 16.289 28.543 6.805) 33.561 41.976 ( 40.206 28.394 -9.527) 50.135 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -14.607 18.402 6.787) 24.455 1.777 ( -7.979 20.966 16.270) 27.712 2.044 ( -8.550 6.667 -7.608) 13.246 2.110 ( -3.278 10.053 -1.006) 10.622 2.341 ( 9.145 0.857 -2.437) 9.503 2.473 ( -9.221 4.175 -0.598) 10.139 2.516 ( -7.666 4.377 4.648) 9.976 2.747 ( 1.027 3.765 1.470) 4.171 2.845 ( 5.588 3.203 -0.202) 6.444 2.959 ( -0.349 8.126 -1.598) 8.289 3.020 ( 4.334 -1.884 -10.462) 11.480 3.057 ( 1.075 12.186 -1.170) 12.289 3.115 ( -6.722 -6.195 0.763) 9.173 3.348 ( -4.655 -1.690 0.378) 4.966 3.549 ( -3.334 3.249 -3.983) 6.127 3.635 ( 1.213 14.394 8.470) 16.745 3.715 ( -2.406 11.650 1.716) 12.019 3.792 ( -4.664 2.287 -0.342) 5.206 3.944 ( -3.462 12.394 -2.536) 13.116 4.045 ( -1.915 1.889 -4.480) 5.226 4.306 ( -1.695 8.876 0.822) 9.073 4.411 ( 0.746 -3.634 3.590) 5.162 4.488 ( -1.862 1.044 -11.366) 11.565 4.579 ( 3.722 -0.292 -3.290) 4.977 4.823 ( 2.920 4.537 -2.331) 5.877 4.896 ( 2.583 -0.383 2.571) 3.664 4.989 ( 3.155 -4.047 -5.225) 7.323 5.148 ( -0.240 -6.568 0.428) 6.586 5.317 ( 5.073 -6.431 -2.347) 8.520 5.379 ( 0.909 3.288 -4.038) 5.286 5.527 ( -0.555 -2.961 1.150) 3.225 5.674 ( 6.816 -1.290 -2.387) 7.336 5.758 ( 1.018 -3.443 -5.817) 6.835 5.838 ( -3.272 -2.071 5.991) 7.133 5.947 ( 3.153 -0.517 1.930) 3.733 6.018 ( -1.862 -0.801 5.434) 5.800 6.248 ( 2.054 1.700 0.667) 2.748 6.275 ( -0.486 3.930 1.509) 4.237 6.502 ( 3.222 1.965 3.262) 4.988 6.594 ( 0.855 0.520 5.468) 5.559 6.739 ( -1.117 5.059 -3.163) 6.070 6.764 ( 1.473 2.203 -0.174) 2.655 6.873 ( 3.888 5.963 0.452) 7.132 6.975 ( 3.546 -2.974 0.424) 4.647 7.068 ( -2.918 6.146 1.112) 6.894 7.160 ( -0.962 4.719 1.911) 5.181 7.209 ( 1.657 6.282 -1.040) 6.579 7.287 ( -0.815 0.763 2.503) 2.741 7.455 ( -3.955 -0.824 1.780) 4.414 7.609 ( 4.173 -1.414 -0.978) 4.514 7.747 ( -5.471 1.102 4.372) 7.089 7.795 ( -2.482 4.630 -2.371) 5.764 7.862 ( 3.580 0.607 -2.250) 4.271 8.137 ( -5.798 6.592 4.392) 9.816 8.337 ( -1.606 1.131 4.819) 5.204 8.363 ( -0.549 3.862 -0.463) 3.928 8.635 ( 10.736 -0.401 -4.873) 11.797 8.886 ( -6.267 0.104 2.047) 6.593 9.308 ( -0.317 6.042 -2.149) 6.420 9.369 ( 3.079 -3.520 -6.797) 8.251 12.612 ( 0.088 -3.763 4.722) 6.038 12.688 ( 1.632 -2.522 1.999) 3.608 12.919 ( 1.739 -2.107 -2.441) 3.664 13.041 ( -0.710 -6.400 -3.235) 7.206 13.231 ( 1.194 2.565 -0.586) 2.889 13.337 ( -1.911 0.559 1.237) 2.344 13.380 ( 1.084 0.435 0.724) 1.374 13.595 ( -3.515 -0.208 -1.465) 3.814 17.753 ( -0.702 0.464 -0.232) 0.873 17.779 ( -0.928 0.117 -0.430) 1.029 17.848 ( 1.664 -0.507 -0.528) 1.818 17.957 ( -1.905 -3.715 2.503) 4.868 18.730 ( -0.040 1.585 0.208) 1.599 18.804 ( -1.355 0.759 0.021) 1.553 18.861 ( 0.015 -0.383 2.185) 2.219 18.952 ( 0.956 -2.094 -0.951) 2.491 20.703 ( -1.909 -0.509 -1.036) 2.231 20.792 ( -0.435 -1.591 0.990) 1.923 20.962 ( 0.394 -0.521 0.953) 1.156 21.026 ( -0.381 -1.722 -1.200) 2.133 21.263 ( -3.543 0.122 0.287) 3.557 21.320 ( -6.572 -1.653 0.149) 6.778 21.659 ( 2.486 -1.286 -0.286) 2.813 21.715 ( 0.466 -2.087 0.510) 2.198 23.000 ( -1.497 -1.244 -0.060) 1.947 23.011 ( 0.340 -1.423 -0.749) 1.643 23.184 ( 1.696 -1.245 -0.765) 2.239 23.200 ( 0.319 -1.767 0.272) 1.816 29.571 ( 0.560 -1.352 -0.229) 1.481 29.588 ( 0.328 -1.406 0.369) 1.490 29.593 ( -0.188 -1.480 -0.231) 1.510 29.621 ( -0.487 -1.845 0.128) 1.912 33.582 ( 2.333 -2.100 -1.407) 3.440 33.624 ( -1.976 -1.849 0.601) 2.772 34.049 ( -8.902 -18.269 23.591) 31.137 34.530 ( 10.881 -19.027 -14.265) 26.152 36.701 ( 2.637 0.219 -1.359) 2.975 36.725 ( 1.340 -0.470 0.174) 1.431 36.928 ( -3.959 -7.579 7.233) 11.199 37.276 ( -3.341 -14.395 -4.760) 15.525 39.854 ( 0.807 4.045 1.161) 4.285 39.993 ( 2.235 2.279 -0.473) 3.227 40.067 ( -6.060 10.578 -0.623) 12.207 40.245 ( -7.799 6.059 -0.751) 9.905 40.500 ( -0.648 15.584 -0.378) 15.602 40.590 ( -1.555 17.627 -0.529) 17.703 41.655 ( 12.024 33.165 14.682) 38.211 42.849 ( 37.134 19.049 -24.042) 48.164 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 3.987 17.858 9.289) 20.521 1.942 ( -4.988 11.449 -4.861) 13.401 2.111 ( -2.381 12.584 3.872) 13.379 2.280 ( -4.794 5.313 -0.621) 7.183 2.407 ( 1.819 2.124 6.873) 7.420 2.443 ( 5.632 2.305 0.028) 6.085 2.551 ( 3.081 -0.917 -2.752) 4.232 2.753 ( -4.835 -6.187 2.080) 8.123 2.787 ( 2.204 -4.344 5.605) 7.426 2.892 ( 2.039 -2.895 -1.391) 3.804 3.011 ( 4.260 -4.255 -13.342) 14.637 3.034 ( -6.601 -6.865 0.017) 9.523 3.183 ( 8.604 -1.147 -13.758) 16.267 3.390 ( 1.709 -0.113 -8.764) 8.930 3.675 ( 1.916 3.830 4.252) 6.035 3.769 ( -4.690 11.759 0.903) 12.692 3.822 ( 0.282 6.917 3.654) 7.827 3.872 ( -2.056 4.701 2.576) 5.741 4.084 ( 1.534 3.308 0.125) 3.649 4.322 ( -0.545 0.861 0.010) 1.019 4.343 ( -2.755 14.438 0.554) 14.709 4.428 ( -3.898 6.392 -2.770) 7.982 4.475 ( 1.668 2.430 -1.635) 3.370 4.641 ( 1.055 1.128 3.076) 3.442 4.830 ( -4.013 -7.590 1.936) 8.801 4.910 ( -1.103 4.215 5.721) 7.191 5.002 ( 0.736 -1.698 -1.879) 2.637 5.175 ( 1.196 5.619 -9.924) 11.467 5.367 ( 4.254 0.637 -0.854) 4.386 5.393 ( -2.109 0.777 -0.890) 2.418 5.516 ( -0.031 5.874 -3.789) 6.990 5.630 ( 1.605 -3.984 -3.245) 5.383 5.720 ( 3.360 -2.636 -1.757) 4.618 5.741 ( -2.077 -2.186 1.514) 3.374 6.037 ( 0.601 3.300 2.339) 4.090 6.066 ( -0.048 4.011 2.714) 4.843 6.287 ( 0.986 -1.311 2.679) 3.142 6.355 ( -0.528 4.039 -1.253) 4.261 6.484 ( -2.974 -1.795 4.293) 5.522 6.618 ( 0.337 -1.103 0.520) 1.265 6.722 ( -1.724 -0.563 0.680) 1.937 6.825 ( 2.348 -0.602 -0.559) 2.488 7.023 ( 6.750 -0.086 3.993) 7.843 7.095 ( 2.064 0.394 4.306) 4.791 7.166 ( -3.553 6.900 1.085) 7.837 7.175 ( -3.150 5.319 0.509) 6.203 7.287 ( -1.255 3.087 0.647) 3.394 7.351 ( 0.696 0.996 0.137) 1.223 7.414 ( -0.393 4.617 -1.456) 4.857 7.574 ( 0.176 -2.534 -4.285) 4.981 7.691 ( -3.306 0.165 5.973) 6.829 7.835 ( -2.579 -1.732 2.124) 3.764 7.887 ( 1.278 5.466 0.563) 5.642 8.106 ( 0.139 0.461 -2.092) 2.147 8.308 ( -2.385 5.474 4.082) 7.233 8.574 ( -1.238 9.936 5.551) 11.449 8.649 ( 3.047 -9.647 -6.047) 11.786 8.913 ( 1.871 -2.269 -2.019) 3.567 9.370 ( -0.134 2.844 -3.484) 4.499 9.441 ( 1.226 1.439 -3.517) 3.993 12.576 ( -0.071 0.340 2.473) 2.497 12.678 ( 1.128 -0.345 -2.262) 2.551 12.893 ( 1.515 -5.970 -4.024) 7.357 12.919 ( 4.273 -6.051 -3.818) 8.334 13.253 ( -4.140 1.565 2.135) 4.914 13.303 ( 0.576 0.596 1.808) 1.989 13.461 ( 1.558 1.483 2.430) 3.245 13.494 ( -4.762 -0.077 2.027) 5.176 17.735 ( -0.787 -0.092 0.839) 1.154 17.774 ( 0.279 0.022 -0.795) 0.843 17.850 ( -0.539 0.175 0.194) 0.599 17.896 ( 0.996 -1.259 -0.252) 1.624 18.775 ( 0.479 1.854 0.507) 1.981 18.808 ( -0.488 1.415 -0.120) 1.501 18.846 ( -0.616 -0.436 1.718) 1.876 18.914 ( -0.014 -1.953 -0.665) 2.063 20.709 ( 0.918 -0.048 0.804) 1.221 20.745 ( -0.598 -1.105 -0.495) 1.350 20.961 ( 0.057 -0.210 0.537) 0.579 20.993 ( -0.043 -1.245 -0.650) 1.405 21.225 ( -0.001 0.175 0.106) 0.204 21.233 ( -0.111 -0.127 -0.169) 0.239 21.669 ( 0.408 -1.125 0.203) 1.214 21.677 ( -0.461 -1.353 -0.116) 1.434 22.963 ( -0.053 0.049 0.388) 0.395 23.025 ( 0.517 0.263 -1.485) 1.594 23.160 ( -0.343 -1.887 0.152) 1.924 23.176 ( 0.327 -1.616 -0.416) 1.701 29.554 ( -0.198 -0.914 -0.090) 0.939 29.559 ( 0.293 -1.116 -0.209) 1.173 29.569 ( 0.228 -1.252 0.299) 1.307 29.577 ( -0.380 -1.309 0.001) 1.363 33.548 ( -2.300 -1.191 2.510) 3.606 33.583 ( 0.021 -1.856 -0.421) 1.903 33.690 ( -2.800 -2.763 10.881) 11.570 34.259 ( 3.990 -20.497 -9.154) 22.800 36.707 ( -1.123 -0.093 0.284) 1.162 36.750 ( 0.764 0.314 -0.839) 1.178 36.806 ( 0.512 -3.211 3.892) 5.072 36.989 ( 0.035 -8.422 -3.174) 9.000 40.000 ( -0.269 5.067 1.471) 5.283 40.077 ( 0.101 4.461 -1.163) 4.612 40.114 ( 1.305 1.722 0.456) 2.208 40.158 ( -0.961 2.027 -1.044) 2.474 40.844 ( 0.365 14.876 1.291) 14.936 40.944 ( -0.589 14.290 -2.560) 14.529 42.445 ( 0.145 25.355 14.473) 29.195 43.305 ( -0.906 -2.295 -18.329) 18.495 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 9.777 14.552 11.194) 20.801 1.954 ( 7.752 14.659 -4.434) 17.165 2.071 ( 0.116 15.960 0.679) 15.975 2.292 ( 5.500 4.718 -2.337) 7.614 2.466 ( -1.508 0.677 4.218) 4.530 2.516 ( 2.373 -0.801 4.278) 4.957 2.643 ( 2.726 3.368 2.582) 5.043 2.781 ( 9.536 2.998 -5.596) 11.456 2.830 ( 1.826 -1.879 0.500) 2.667 2.906 ( -1.485 -5.868 -0.233) 6.058 3.001 ( 7.724 -2.749 -5.231) 9.725 3.144 ( 8.522 -7.613 -4.928) 12.445 3.374 ( 8.609 -3.187 -10.795) 14.171 3.383 ( -1.195 -0.615 -4.007) 4.227 3.617 ( -4.957 5.266 1.015) 7.303 3.751 ( -0.642 8.670 3.064) 9.218 3.855 ( 1.331 4.223 5.291) 6.900 3.904 ( 6.222 6.689 1.209) 9.215 4.069 ( -2.347 1.406 -2.089) 3.442 4.232 ( -6.330 17.958 0.377) 19.045 4.315 ( -1.061 1.000 0.667) 1.604 4.390 ( -0.599 3.602 1.722) 4.037 4.555 ( 5.051 1.443 -6.785) 8.581 4.635 ( -4.570 -2.057 4.147) 6.505 4.725 ( -2.048 -9.174 0.769) 9.431 4.857 ( -4.738 3.445 2.750) 6.471 4.933 ( -5.592 -3.483 0.703) 6.625 5.145 ( -1.879 2.309 -5.998) 6.696 5.352 ( -1.847 2.320 -2.029) 3.593 5.405 ( -1.536 8.718 -5.754) 10.558 5.527 ( 2.439 1.303 -4.154) 4.990 5.639 ( -0.408 -1.780 1.396) 2.299 5.713 ( -1.041 -2.883 -2.373) 3.876 5.776 ( 0.780 -3.822 0.730) 3.969 6.020 ( -2.579 1.188 1.747) 3.334 6.055 ( -0.882 2.539 4.950) 5.633 6.307 ( 1.075 -0.103 0.990) 1.465 6.351 ( 0.602 5.128 -1.559) 5.394 6.429 ( -2.518 -2.346 3.020) 4.579 6.599 ( -2.687 0.306 2.636) 3.776 6.689 ( -0.917 1.037 0.577) 1.500 6.868 ( 1.192 -0.970 -0.759) 1.714 7.002 ( -4.984 1.685 0.662) 5.302 7.083 ( -4.240 3.306 1.166) 5.502 7.148 ( -0.766 1.475 2.741) 3.206 7.179 ( 2.934 2.659 3.666) 5.396 7.293 ( 0.124 2.959 2.656) 3.978 7.363 ( 0.070 2.680 0.168) 2.686 7.440 ( 4.138 4.969 -0.251) 6.471 7.619 ( 2.440 -0.378 -3.292) 4.116 7.685 ( 4.853 2.254 0.809) 5.411 7.789 ( -0.588 2.022 1.631) 2.664 7.955 ( 4.170 2.096 -0.832) 4.741 8.172 ( 4.440 1.054 -0.233) 4.570 8.268 ( -0.939 5.822 1.444) 6.072 8.549 ( -1.005 6.034 4.141) 7.387 8.611 ( -5.411 -5.581 -3.865) 8.681 8.922 ( -1.541 -3.561 1.632) 4.209 9.321 ( -3.552 1.483 -4.142) 5.655 9.450 ( -0.449 0.487 -3.012) 3.084 12.567 ( -0.756 1.285 2.070) 2.551 12.700 ( 0.387 1.049 -2.094) 2.374 12.916 ( 1.121 -5.984 -1.895) 6.376 12.997 ( 2.127 -5.415 -0.750) 5.866 13.196 ( -0.679 0.949 -0.646) 1.334 13.322 ( 0.683 -1.836 1.968) 2.777 13.397 ( -3.481 1.661 1.697) 4.213 13.493 ( 1.374 -0.445 0.451) 1.514 17.731 ( 0.482 0.216 0.304) 0.609 17.790 ( 1.306 -0.099 -0.688) 1.480 17.843 ( -0.039 0.922 -0.754) 1.191 17.911 ( -0.020 -1.302 1.192) 1.765 18.790 ( 0.805 1.526 0.730) 1.873 18.804 ( 0.181 1.357 -0.244) 1.391 18.832 ( -0.765 -0.128 1.173) 1.407 18.912 ( -0.143 -1.730 -0.627) 1.846 20.711 ( -0.160 -0.082 -0.278) 0.331 20.760 ( 1.587 -1.920 0.345) 2.515 20.957 ( -0.481 -0.293 0.618) 0.836 20.989 ( -0.268 -1.474 -0.736) 1.669 21.267 ( 3.599 0.081 0.202) 3.605 21.289 ( 4.763 -0.610 -0.163) 4.805 21.639 ( -2.537 -0.900 -0.124) 2.694 21.667 ( -1.105 -1.683 0.224) 2.025 22.974 ( 1.044 0.010 -0.054) 1.045 23.034 ( 0.461 -0.249 -0.534) 0.748 23.143 ( -1.180 -1.597 -0.250) 2.001 23.171 ( -0.771 -1.663 -0.108) 1.836 29.548 ( -0.233 -0.754 -0.251) 0.828 29.560 ( -0.446 -1.040 0.219) 1.153 29.574 ( 0.388 -1.236 -0.141) 1.303 29.576 ( 0.225 -1.318 0.119) 1.342 33.473 ( -3.956 0.042 4.264) 5.816 33.559 ( -0.654 -0.171 -0.979) 1.190 33.728 ( 3.362 -3.206 5.272) 7.026 34.283 ( -1.120 -20.689 -5.483) 21.432 36.680 ( -1.006 0.820 -0.039) 1.299 36.744 ( -1.459 0.919 -0.397) 1.769 36.832 ( 1.928 -4.167 3.395) 5.711 37.027 ( 2.878 -9.694 -2.888) 10.516 39.934 ( -1.333 4.291 0.547) 4.526 40.044 ( -1.350 1.062 0.010) 1.718 40.262 ( 11.482 7.461 -0.378) 13.698 40.366 ( 12.816 4.522 -0.742) 13.610 40.842 ( 0.449 13.377 1.491) 13.467 40.887 ( -3.432 14.251 -1.847) 14.775 42.304 ( -14.128 23.644 13.034) 30.472 42.976 ( -25.492 4.843 -15.820) 30.390 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.962 14.581 6.558) 16.471 2.058 ( 3.035 13.306 -1.795) 13.766 2.252 ( 6.145 15.029 5.125) 17.026 2.373 ( -2.025 8.547 2.301) 9.080 2.433 ( 6.194 6.289 -1.515) 8.957 2.597 ( -0.176 3.726 -0.684) 3.792 2.638 ( 0.996 -0.026 1.357) 1.684 2.811 ( -2.579 2.052 2.987) 4.448 2.928 ( 9.421 -0.853 -10.152) 13.876 3.161 ( 13.486 -3.780 1.892) 14.133 3.214 ( 9.559 6.419 -2.398) 11.761 3.309 ( 6.368 -2.013 -2.063) 6.990 3.371 ( 3.400 -3.593 -0.893) 5.026 3.512 ( 0.611 -0.594 3.156) 3.269 3.565 ( 5.626 0.822 -7.579) 9.475 3.699 ( -4.044 5.534 1.041) 6.933 3.877 ( -0.566 0.312 1.925) 2.030 4.005 ( 1.382 3.571 -0.250) 3.837 4.067 ( -1.876 7.571 -2.459) 8.178 4.073 ( -5.485 2.772 0.332) 6.155 4.272 ( -1.211 0.557 1.743) 2.194 4.405 ( 2.333 5.546 2.073) 6.363 4.466 ( -5.860 2.444 0.246) 6.354 4.622 ( -2.022 -7.723 -2.698) 8.427 4.676 ( -7.117 1.102 3.612) 8.057 4.783 ( 2.168 -2.384 -2.037) 3.812 4.833 ( -3.295 -5.451 0.942) 6.439 5.143 ( 2.683 2.296 -3.274) 4.815 5.280 ( -8.101 6.770 -3.932) 11.266 5.329 ( -0.176 4.538 -6.007) 7.530 5.561 ( -1.095 -0.816 -2.622) 2.956 5.630 ( -4.728 -4.890 -1.467) 6.958 5.650 ( 1.699 -2.639 0.800) 3.240 5.785 ( 0.404 0.884 0.462) 1.076 5.982 ( -0.300 -1.437 1.918) 2.415 6.025 ( -2.610 0.175 5.428) 6.025 6.326 ( -0.256 1.079 2.415) 2.658 6.379 ( 0.297 2.478 -2.466) 3.508 6.401 ( 2.167 2.993 0.148) 3.698 6.524 ( -3.421 3.026 1.957) 4.969 6.689 ( 0.691 0.960 0.798) 1.427 6.867 ( -1.318 -1.259 1.044) 2.100 6.921 ( -2.756 0.579 -3.110) 4.195 6.981 ( -4.102 0.560 -2.622) 4.900 7.154 ( 1.150 5.268 4.465) 7.001 7.183 ( -1.067 4.695 4.624) 6.676 7.292 ( -0.071 3.732 1.548) 4.041 7.413 ( 2.026 3.027 2.493) 4.413 7.495 ( 1.903 5.870 0.966) 6.246 7.639 ( -0.956 -0.503 -2.834) 3.033 7.793 ( 3.455 3.739 1.696) 5.366 7.909 ( 9.537 -1.887 -2.375) 10.008 8.029 ( 2.724 4.092 0.726) 4.969 8.241 ( 3.526 4.981 -1.471) 6.278 8.270 ( -1.393 2.963 1.381) 3.554 8.407 ( -9.224 -2.849 0.124) 9.655 8.635 ( 5.792 3.499 0.396) 6.778 8.861 ( -2.832 -0.890 0.505) 3.011 9.230 ( -3.638 -1.264 -1.948) 4.316 9.406 ( -3.463 -1.120 -2.667) 4.512 12.558 ( -0.163 1.761 2.312) 2.910 12.671 ( -2.698 1.616 0.633) 3.208 12.932 ( -0.140 -4.968 2.579) 5.599 13.005 ( -0.937 -6.730 1.547) 6.969 13.217 ( 2.190 1.188 -2.493) 3.525 13.291 ( -2.218 1.345 -0.678) 2.681 13.401 ( 2.056 -0.538 1.148) 2.415 13.529 ( 2.266 -3.199 -3.658) 5.361 17.751 ( 1.110 0.213 -0.128) 1.137 17.823 ( 1.329 -0.334 -1.293) 1.884 17.844 ( 0.427 0.434 -0.197) 0.640 17.894 ( -1.548 -0.885 1.895) 2.602 18.805 ( -0.564 1.045 1.003) 1.554 18.809 ( 0.783 0.980 1.281) 1.793 18.828 ( 0.874 0.470 -1.302) 1.637 18.904 ( -0.564 -1.233 -0.707) 1.529 20.725 ( 1.308 0.211 -0.204) 1.341 20.792 ( 1.091 -2.406 -0.128) 2.645 20.944 ( -0.707 -0.523 0.720) 1.136 20.981 ( -0.368 -2.162 -0.884) 2.365 21.364 ( 4.982 -0.226 0.206) 4.992 21.412 ( 6.084 -1.762 0.027) 6.335 21.566 ( -4.040 -0.547 -0.200) 4.082 21.623 ( -2.994 -2.279 0.316) 3.776 23.001 ( 1.288 0.121 -0.021) 1.293 23.052 ( 1.310 -1.024 0.536) 1.747 23.112 ( -1.559 -1.126 -0.845) 2.101 23.144 ( -1.663 -1.374 0.091) 2.159 29.545 ( -0.011 -0.612 -0.314) 0.688 29.549 ( -0.458 -0.640 0.100) 0.794 29.578 ( 0.028 -1.416 0.376) 1.465 29.584 ( 0.427 -1.386 -0.334) 1.488 33.423 ( -0.888 0.464 2.103) 2.329 33.556 ( 0.489 -1.219 -2.512) 2.834 33.809 ( 3.270 -5.105 5.041) 7.885 34.214 ( -4.222 -16.814 -2.859) 17.570 36.668 ( -0.090 1.150 -0.253) 1.181 36.711 ( -1.279 1.611 -0.335) 2.084 36.882 ( 1.871 -5.232 3.438) 6.535 37.074 ( 1.434 -11.008 -2.936) 11.482 39.959 ( 3.072 5.123 0.464) 5.991 40.054 ( 1.337 2.242 0.037) 2.610 40.443 ( 3.034 10.911 -0.624) 11.342 40.548 ( 0.078 8.577 -1.624) 8.730 40.926 ( 11.665 13.484 1.793) 17.919 41.010 ( 17.768 11.098 0.964) 20.972 41.909 ( -21.973 20.645 7.811) 31.145 42.295 ( -33.461 12.470 -9.972) 37.075 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.742 10.143 6.586) 12.401 2.144 ( 3.821 11.998 1.407) 12.670 2.212 ( -4.858 12.336 0.831) 13.284 2.338 ( -0.952 11.783 0.044) 11.822 2.504 ( -3.242 8.684 -3.907) 10.059 2.573 ( -2.650 -1.218 7.665) 8.201 2.705 ( 5.543 7.541 -3.504) 9.993 2.772 ( -0.993 4.274 2.792) 5.201 3.071 ( -0.351 1.709 -3.211) 3.654 3.185 ( -3.101 9.195 -4.361) 10.639 3.267 ( -9.326 5.848 0.224) 11.010 3.406 ( 5.140 -5.595 -0.296) 7.603 3.482 ( -5.167 -6.268 0.281) 8.128 3.549 ( 3.379 1.149 2.926) 4.615 3.694 ( 0.443 5.435 -0.391) 5.467 3.715 ( 3.226 0.270 2.395) 4.027 3.840 ( -6.743 -5.992 -6.822) 11.310 3.897 ( 6.958 0.296 -5.130) 8.650 3.974 ( 1.487 2.773 -3.481) 4.692 4.161 ( 7.135 0.879 -0.750) 7.228 4.286 ( 1.718 -0.848 0.907) 2.120 4.363 ( -7.237 -1.733 7.342) 10.454 4.470 ( 3.344 6.407 5.504) 9.084 4.547 ( -3.220 2.290 -2.838) 4.865 4.640 ( 7.858 3.578 2.481) 8.984 4.774 ( -2.383 0.485 -0.613) 2.508 4.875 ( 4.828 -6.807 -3.838) 9.186 5.023 ( -11.697 2.911 -5.266) 13.154 5.221 ( 0.964 -1.475 0.675) 1.887 5.356 ( 2.750 3.893 -6.346) 7.937 5.492 ( -1.839 -4.431 -1.256) 4.959 5.572 ( -1.837 1.164 -0.983) 2.387 5.707 ( 3.495 -0.448 -0.001) 3.524 5.794 ( 0.326 0.803 -3.548) 3.652 5.959 ( -3.582 -0.408 5.311) 6.419 6.013 ( 2.346 -2.625 3.472) 4.945 6.297 ( -1.929 2.432 1.471) 3.435 6.386 ( 0.798 1.865 1.624) 2.598 6.456 ( -1.388 3.975 0.627) 4.256 6.499 ( 3.798 4.321 -3.006) 6.491 6.718 ( 1.867 -1.779 0.548) 2.637 6.820 ( -2.251 -2.492 1.700) 3.764 6.888 ( -3.351 1.343 -4.856) 6.051 6.901 ( 0.445 0.580 -2.984) 3.072 7.185 ( 0.950 4.546 5.105) 6.901 7.219 ( 3.740 4.487 4.644) 7.462 7.292 ( -0.164 6.088 1.879) 6.373 7.417 ( -1.399 2.843 1.404) 3.466 7.532 ( 0.938 5.926 1.558) 6.198 7.602 ( -2.049 0.332 -0.153) 2.082 7.831 ( -0.700 3.101 0.257) 3.189 7.976 ( -1.174 0.003 -1.621) 2.001 8.146 ( 4.923 -2.084 0.923) 5.425 8.185 ( -4.849 5.478 0.421) 7.328 8.268 ( -1.544 3.023 0.770) 3.480 8.373 ( 6.510 2.865 -4.026) 8.172 8.619 ( -6.539 5.548 5.645) 10.266 8.937 ( 7.851 -0.943 -7.160) 10.667 9.196 ( 0.330 -4.366 0.993) 4.489 9.305 ( -4.175 -0.665 -1.699) 4.557 12.568 ( 0.939 1.502 2.150) 2.785 12.608 ( -2.790 1.098 2.215) 3.728 12.905 ( -2.419 -4.306 3.513) 6.061 12.973 ( -2.179 -8.027 3.067) 8.864 13.251 ( 0.546 2.915 -2.555) 3.914 13.287 ( 2.566 1.295 -2.201) 3.620 13.431 ( 0.311 -0.083 0.190) 0.374 13.579 ( 2.436 -4.092 -4.511) 6.559 17.773 ( 0.830 0.133 -0.199) 0.864 17.821 ( -0.698 0.686 -1.911) 2.147 17.846 ( -1.771 -1.313 1.978) 2.962 17.886 ( 1.510 -0.891 0.560) 1.840 18.789 ( -0.813 1.466 0.712) 1.822 18.826 ( 0.536 0.645 1.470) 1.692 18.856 ( 1.667 -0.255 -1.560) 2.297 18.887 ( -0.905 -0.466 -0.697) 1.233 20.752 ( 0.758 -0.007 0.540) 0.931 20.794 ( -0.941 -1.714 -1.032) 2.211 20.933 ( -0.217 -0.678 0.720) 1.013 20.977 ( 0.212 -2.675 -0.909) 2.833 21.459 ( -1.318 -0.163 0.333) 1.369 21.480 ( 1.202 -0.494 -0.387) 1.356 21.529 ( 0.871 -2.551 0.476) 2.737 21.545 ( -0.640 -2.528 0.007) 2.608 23.020 ( -0.038 -0.044 0.756) 0.758 23.068 ( -0.739 -1.336 0.089) 1.530 23.094 ( 0.389 -0.444 -0.603) 0.844 23.115 ( 0.101 -1.310 -0.191) 1.328 29.542 ( -0.170 -0.475 -0.047) 0.507 29.547 ( 0.236 -0.632 -0.253) 0.721 29.577 ( -0.167 -1.342 0.310) 1.387 29.591 ( 0.175 -1.558 -0.244) 1.586 33.433 ( 1.429 -0.650 0.876) 1.797 33.572 ( 1.100 -2.817 -3.034) 4.284 33.868 ( 1.296 -7.059 6.599) 9.750 34.123 ( -3.187 -12.665 -3.224) 13.452 36.673 ( 0.523 0.854 -0.088) 1.005 36.692 ( -0.384 2.142 -0.629) 2.265 36.904 ( -0.504 -6.006 3.728) 7.086 37.085 ( 0.136 -11.079 -3.166) 11.524 40.027 ( 1.428 5.649 0.616) 5.859 40.053 ( -1.596 3.989 -0.137) 4.299 40.460 ( -0.179 10.875 -0.214) 10.878 40.496 ( -0.094 8.744 -1.755) 8.919 41.281 ( 6.508 15.730 7.022) 18.415 41.337 ( -6.338 14.850 5.839) 17.169 41.616 ( -15.587 15.759 -5.679) 22.881 41.666 ( 16.673 12.888 -5.895) 21.882 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -11.592 12.601 5.438) 17.964 2.155 ( 3.386 12.563 -0.037) 13.012 2.261 ( 3.411 8.648 2.220) 9.558 2.295 ( -4.442 8.247 0.276) 9.372 2.443 ( -0.031 4.685 0.868) 4.765 2.477 ( -6.652 0.982 5.428) 8.642 2.723 ( -3.205 4.364 -0.218) 5.419 2.771 ( -1.730 -0.252 -2.557) 3.097 2.899 ( -9.221 4.242 -3.210) 10.645 3.073 ( -5.684 3.452 -7.275) 9.856 3.132 ( -4.011 2.722 1.811) 5.175 3.301 ( -16.727 -1.030 -1.294) 16.808 3.309 ( -7.864 -2.940 -1.576) 8.542 3.432 ( -3.975 -2.337 -4.100) 6.171 3.616 ( -0.375 3.063 5.348) 6.175 3.805 ( 2.981 -2.133 -5.788) 6.851 3.886 ( 2.057 8.812 4.048) 9.913 3.965 ( -0.168 5.652 -0.884) 5.723 4.084 ( -1.636 -0.310 -1.735) 2.405 4.208 ( 6.249 -0.996 0.823) 6.382 4.368 ( 4.785 5.534 6.083) 9.514 4.449 ( -2.535 -0.798 -3.447) 4.352 4.485 ( 11.357 -3.616 -2.804) 12.244 4.584 ( 0.863 9.150 9.354) 13.113 4.734 ( 2.856 1.063 -7.367) 7.973 4.797 ( -0.410 -0.738 -0.266) 0.885 4.863 ( 2.598 -2.249 3.772) 5.102 4.979 ( 6.024 0.568 -8.330) 10.296 5.213 ( -0.086 0.940 -1.919) 2.138 5.417 ( 2.769 1.805 -5.758) 6.639 5.481 ( -0.266 -1.951 1.458) 2.450 5.552 ( 0.625 0.725 -2.447) 2.628 5.772 ( -1.981 -0.131 -3.743) 4.237 5.793 ( 2.649 -2.561 2.327) 4.358 5.912 ( 0.168 1.056 3.263) 3.434 6.059 ( 0.938 -0.168 3.519) 3.646 6.261 ( -1.287 3.079 0.737) 3.418 6.388 ( -1.199 5.597 1.114) 5.831 6.458 ( 2.799 -0.653 1.609) 3.293 6.577 ( 2.496 1.964 0.295) 3.189 6.751 ( 0.779 -3.505 -0.318) 3.605 6.781 ( -1.510 -1.237 1.509) 2.467 6.845 ( 0.615 0.880 -2.644) 2.854 6.938 ( 2.726 0.429 -1.250) 3.029 7.221 ( 1.226 4.206 4.605) 6.356 7.255 ( -1.010 7.319 1.444) 7.528 7.323 ( 1.724 1.828 4.488) 5.144 7.375 ( -2.427 2.792 -0.097) 3.701 7.526 ( -1.559 4.857 1.863) 5.431 7.573 ( 0.646 2.266 -0.814) 2.493 7.802 ( -0.750 1.082 -2.006) 2.399 7.936 ( -2.453 1.669 -2.117) 3.645 8.004 ( -9.124 3.788 1.559) 10.002 8.257 ( 2.865 -2.448 -0.292) 3.780 8.311 ( 4.488 3.011 -2.083) 5.792 8.388 ( -4.306 1.181 3.046) 5.405 8.585 ( 3.272 8.084 -0.230) 8.724 8.984 ( -4.617 -3.130 1.485) 5.772 9.210 ( 3.899 -2.103 -1.887) 4.815 9.334 ( 4.889 1.626 -3.494) 6.225 12.569 ( -1.040 0.197 2.540) 2.752 12.605 ( 2.285 0.734 0.712) 2.504 12.854 ( -2.123 -4.941 0.969) 5.465 12.925 ( -2.215 -7.418 1.869) 7.964 13.265 ( 1.092 2.741 -2.269) 3.722 13.351 ( 3.031 1.503 -0.333) 3.399 13.413 ( -1.916 0.831 0.137) 2.093 13.608 ( 0.225 -2.991 -2.220) 3.732 17.776 ( -0.691 -0.116 0.040) 0.702 17.803 ( -1.118 -0.070 -1.111) 1.577 17.819 ( 0.159 0.015 0.002) 0.160 17.911 ( 0.337 -2.056 1.305) 2.458 18.775 ( -0.493 1.926 0.350) 2.019 18.833 ( -0.141 0.494 1.334) 1.429 18.865 ( -0.766 -0.178 0.102) 0.793 18.891 ( 1.406 -1.022 -1.490) 2.289 20.737 ( -2.054 -0.521 -0.282) 2.137 20.771 ( -0.639 -1.188 -0.049) 1.350 20.939 ( 0.583 -0.460 0.551) 0.925 20.985 ( 0.486 -2.151 -0.716) 2.318 21.359 ( -4.847 0.154 0.182) 4.853 21.418 ( -6.021 -2.139 0.048) 6.389 21.568 ( 3.835 -0.641 -0.207) 3.894 21.626 ( 3.141 -2.386 0.321) 3.957 23.001 ( -1.277 -0.116 0.027) 1.282 23.037 ( -1.578 -0.011 0.471) 1.647 23.118 ( 1.806 -0.911 -0.981) 2.248 23.141 ( 1.326 -1.746 0.254) 2.207 29.542 ( 0.173 -0.551 -0.169) 0.602 29.554 ( 0.363 -0.832 -0.064) 0.910 29.571 ( -0.315 -1.242 0.169) 1.292 29.591 ( -0.130 -1.628 -0.109) 1.637 33.479 ( 2.514 -1.611 0.695) 3.066 33.588 ( 0.438 -3.461 -1.373) 3.749 33.871 ( -2.029 -7.883 9.082) 12.197 34.092 ( 1.123 -12.085 -6.650) 13.839 36.687 ( 0.614 0.572 -0.084) 0.843 36.697 ( 1.099 1.960 -0.598) 2.325 36.869 ( -2.748 -5.448 3.404) 6.987 37.073 ( -1.095 -10.648 -2.807) 11.066 39.971 ( -3.367 4.546 0.538) 5.683 40.037 ( -1.233 2.814 -0.030) 3.072 40.442 ( -2.817 11.537 -0.666) 11.895 40.531 ( -0.643 8.433 -1.378) 8.569 40.941 ( -13.824 12.611 1.797) 18.798 41.026 ( -15.169 11.288 0.664) 18.920 41.866 ( 21.196 22.500 6.071) 31.502 42.360 ( 35.517 9.595 -8.162) 37.685 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -11.255 18.081 5.232) 21.931 2.135 ( -9.742 8.064 0.859) 12.676 2.173 ( -4.156 10.523 4.654) 12.234 2.311 ( 1.361 8.565 0.222) 8.675 2.378 ( 2.139 3.236 0.840) 3.969 2.477 ( -3.894 -2.429 3.650) 5.864 2.548 ( -5.520 0.829 -2.764) 6.229 2.722 ( -1.475 -3.725 2.042) 4.497 2.852 ( 1.923 -2.073 -2.185) 3.573 2.963 ( -8.168 -6.780 1.915) 10.787 2.988 ( -4.426 -1.867 -8.628) 9.875 3.060 ( -0.766 3.580 -10.991) 11.585 3.192 ( -4.388 -2.580 0.616) 5.128 3.373 ( -0.359 2.287 -8.818) 9.117 3.631 ( 0.855 5.047 4.961) 7.128 3.808 ( -1.182 5.205 -0.414) 5.354 3.898 ( 0.167 2.086 4.849) 5.281 3.920 ( -5.414 9.693 2.593) 11.401 4.047 ( 0.336 1.005 -3.071) 3.249 4.328 ( 3.547 3.069 -1.128) 4.824 4.360 ( -2.535 2.026 -4.955) 5.923 4.455 ( 0.166 12.002 9.500) 15.308 4.554 ( -3.924 4.109 -6.502) 8.635 4.604 ( 1.245 4.130 5.179) 6.740 4.818 ( 4.825 -8.007 1.735) 9.508 4.894 ( 6.011 -2.660 -1.531) 6.749 4.931 ( 1.667 -0.608 1.799) 2.527 5.106 ( 5.647 8.363 -9.617) 13.940 5.261 ( 4.893 1.040 -3.336) 6.012 5.434 ( -1.148 -0.828 0.875) 1.664 5.494 ( 1.976 4.658 -2.211) 5.522 5.586 ( 2.525 -6.016 -5.549) 8.565 5.709 ( -2.504 -0.738 -0.758) 2.718 5.789 ( -2.131 -2.338 3.384) 4.633 5.988 ( 4.179 2.963 1.989) 5.495 6.061 ( -0.470 2.930 1.915) 3.532 6.258 ( 0.930 1.092 1.651) 2.187 6.370 ( -0.677 4.152 0.575) 4.246 6.518 ( 0.820 -0.370 3.327) 3.446 6.600 ( 0.478 -1.173 1.156) 1.715 6.750 ( -0.818 -1.844 0.163) 2.024 6.783 ( 1.455 -0.532 0.049) 1.550 6.895 ( 4.060 0.042 1.239) 4.245 7.010 ( 3.891 1.594 0.391) 4.223 7.206 ( -2.470 5.676 2.478) 6.668 7.248 ( 0.229 4.392 3.555) 5.656 7.303 ( -2.524 0.244 2.705) 3.708 7.358 ( 0.315 5.704 -0.591) 5.743 7.467 ( -3.846 4.308 -1.844) 6.062 7.604 ( -0.152 0.739 -1.274) 1.481 7.759 ( -4.641 -0.194 1.876) 5.009 7.849 ( -0.237 -2.130 0.518) 2.205 7.905 ( -2.221 5.860 -0.503) 6.287 8.194 ( -6.243 -1.447 -0.965) 6.480 8.344 ( -1.162 1.869 5.754) 6.161 8.476 ( 9.369 0.383 -7.713) 12.142 8.620 ( -0.666 3.727 5.726) 6.864 8.895 ( -1.324 0.105 -0.635) 1.472 9.318 ( 4.772 -0.118 -2.502) 5.389 9.413 ( 2.351 2.955 -4.222) 5.664 12.566 ( 0.359 -0.264 2.661) 2.698 12.656 ( 1.778 -0.349 -0.784) 1.974 12.838 ( 1.458 -5.248 -2.358) 5.935 12.895 ( -0.426 -6.940 -1.980) 7.229 13.287 ( 0.908 2.413 -0.209) 2.587 13.344 ( -3.908 0.690 1.464) 4.230 13.417 ( 2.330 2.398 1.656) 3.731 13.578 ( -2.825 -1.598 0.402) 3.271 17.755 ( -1.061 -0.144 0.498) 1.181 17.780 ( -0.700 -0.199 -0.868) 1.133 17.840 ( 1.338 -0.076 -0.752) 1.537 17.901 ( -1.181 -1.915 1.122) 2.514 18.769 ( -0.013 2.038 0.325) 2.064 18.822 ( -0.766 1.019 0.383) 1.331 18.854 ( -0.407 -0.297 1.322) 1.415 18.911 ( 0.516 -1.831 -0.971) 2.136 20.701 ( -0.693 0.262 -0.224) 0.775 20.759 ( -0.541 -1.460 0.290) 1.584 20.953 ( 0.574 -0.251 0.497) 0.800 20.992 ( 0.217 -1.502 -0.616) 1.637 21.266 ( -3.483 0.193 0.156) 3.492 21.293 ( -4.932 -0.937 -0.122) 5.021 21.636 ( 2.398 -0.802 -0.091) 2.530 21.672 ( 1.132 -1.868 0.191) 2.193 22.975 ( -1.032 -0.082 0.353) 1.094 23.019 ( -0.036 0.629 -0.911) 1.108 23.153 ( 1.180 -1.628 -0.341) 2.039 23.163 ( 0.711 -1.656 -0.026) 1.802 29.548 ( 0.400 -0.763 -0.218) 0.889 29.561 ( 0.242 -1.095 0.186) 1.137 29.564 ( -0.265 -1.134 -0.029) 1.165 29.585 ( -0.367 -1.551 0.005) 1.594 33.538 ( 2.761 -1.953 0.687) 3.451 33.581 ( -0.988 -2.225 0.676) 2.527 33.796 ( -5.779 -6.612 11.869) 14.764 34.158 ( 5.366 -15.998 -10.190) 19.712 36.704 ( 0.945 0.014 0.002) 0.945 36.731 ( 1.673 1.335 -0.718) 2.258 36.812 ( -2.244 -4.145 3.475) 5.856 37.029 ( -2.481 -9.460 -2.686) 10.142 39.940 ( 1.003 3.936 0.600) 4.106 40.032 ( 1.592 1.332 -0.046) 2.076 40.262 ( -11.434 7.827 -0.408) 13.863 40.362 ( -11.943 4.576 -0.683) 12.808 40.821 ( 0.534 14.183 0.729) 14.212 40.923 ( 1.490 12.991 -1.146) 13.126 42.271 ( 13.900 25.320 11.412) 31.057 43.039 ( 25.460 1.523 -14.193) 29.188 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.750 12.029 5.427) 13.312 2.043 ( -0.157 -1.265 -0.434) 1.347 2.310 ( -1.135 5.195 4.009) 6.659 2.358 ( -1.844 0.254 0.244) 1.877 2.453 ( -1.471 2.863 3.722) 4.921 2.522 ( 0.407 3.350 -0.504) 3.413 2.559 ( 4.493 2.758 -0.983) 5.362 2.595 ( 3.583 -4.386 3.297) 6.553 2.702 ( -0.970 -1.862 3.713) 4.265 2.834 ( 0.161 -9.264 -3.726) 9.986 2.864 ( 1.376 -0.903 -10.204) 10.336 2.923 ( -0.203 -4.642 -8.652) 9.820 3.235 ( 2.720 4.671 -9.416) 10.857 3.329 ( 0.476 -4.016 -8.854) 9.734 3.744 ( -0.760 3.477 4.960) 6.105 3.813 ( -1.262 -2.718 4.767) 5.631 3.990 ( 0.233 7.722 -1.544) 7.878 4.034 ( -2.318 3.882 0.097) 4.523 4.140 ( 1.248 4.223 2.906) 5.275 4.286 ( 1.469 -5.914 -1.797) 6.353 4.386 ( 1.032 2.595 -2.566) 3.793 4.465 ( -1.162 -1.906 -3.856) 4.456 4.557 ( -2.820 0.342 5.459) 6.154 4.626 ( -3.762 -5.225 2.805) 7.023 4.804 ( -1.316 4.939 2.885) 5.870 4.906 ( -0.589 -4.255 3.665) 5.646 5.131 ( 2.256 8.546 -1.380) 8.946 5.207 ( 0.552 -0.847 -6.381) 6.461 5.391 ( 2.010 2.855 0.055) 3.492 5.470 ( -0.458 -2.718 -4.264) 5.078 5.565 ( -1.886 9.767 0.185) 9.950 5.650 ( 1.355 0.795 2.641) 3.073 5.693 ( -2.092 -0.658 3.326) 3.984 5.758 ( 1.845 0.639 -2.319) 3.031 6.064 ( -0.315 -0.693 1.876) 2.025 6.092 ( 2.298 -2.199 1.218) 3.406 6.333 ( -2.121 6.623 0.802) 7.000 6.427 ( -0.351 1.267 -0.630) 1.458 6.460 ( -1.834 0.550 -1.737) 2.585 6.553 ( 2.192 -4.955 -2.410) 5.930 6.729 ( -0.449 1.835 4.069) 4.486 6.784 ( 1.297 -2.836 3.736) 4.866 7.049 ( 4.813 1.824 4.130) 6.600 7.082 ( 2.425 -1.186 4.314) 5.089 7.257 ( -6.051 4.100 -1.151) 7.399 7.267 ( -1.454 2.360 0.304) 2.788 7.315 ( 4.202 -1.308 1.341) 4.600 7.343 ( -3.898 -2.312 -1.261) 4.704 7.529 ( -1.724 4.394 -2.307) 5.254 7.553 ( -1.026 1.360 -2.903) 3.366 7.691 ( -0.381 1.616 3.569) 3.936 7.784 ( 1.597 -4.624 -0.564) 4.924 8.012 ( -0.149 5.592 0.026) 5.594 8.090 ( -0.101 -1.948 -1.925) 2.741 8.377 ( -0.303 1.971 1.024) 2.241 8.456 ( 1.281 -6.913 -1.514) 7.192 8.755 ( -1.142 6.989 4.437) 8.357 8.860 ( -0.555 -3.304 1.911) 3.857 9.424 ( 0.879 2.142 -3.650) 4.322 9.453 ( 0.202 -0.445 -3.750) 3.782 12.623 ( 0.916 3.766 -0.032) 3.876 12.682 ( 1.570 -0.180 -2.824) 3.236 12.778 ( 2.029 -3.711 -3.538) 5.514 12.801 ( 3.610 -4.526 -4.319) 7.223 13.291 ( -3.505 1.796 4.029) 5.634 13.314 ( -1.844 -0.152 3.328) 3.807 13.480 ( -0.068 0.475 2.089) 2.143 13.488 ( -2.498 -0.401 2.050) 3.256 17.743 ( -0.272 0.848 0.456) 1.001 17.764 ( 0.196 -0.913 -0.357) 1.000 17.858 ( 0.246 0.536 -0.699) 0.915 17.873 ( 0.720 -0.901 -0.755) 1.379 18.811 ( 0.110 1.456 0.510) 1.547 18.831 ( -0.334 -0.183 0.163) 0.414 18.843 ( -0.354 1.015 0.751) 1.312 18.875 ( -0.056 -1.772 -0.283) 1.796 20.713 ( 0.244 0.388 0.240) 0.518 20.725 ( -0.166 -0.748 -0.198) 0.791 20.961 ( 0.035 0.224 0.175) 0.287 20.971 ( -0.014 -0.791 -0.217) 0.820 21.228 ( -0.008 0.127 0.028) 0.130 21.231 ( -0.022 -0.098 -0.056) 0.115 21.653 ( 0.118 -0.332 0.078) 0.361 21.656 ( -0.143 -0.623 -0.035) 0.640 22.985 ( -0.064 1.777 0.593) 1.874 23.020 ( 0.110 -1.103 -0.480) 1.208 23.133 ( -0.104 -0.391 -0.175) 0.441 23.145 ( 0.134 -1.256 -0.502) 1.359 29.543 ( -0.180 -0.194 -0.050) 0.270 29.544 ( 0.141 -0.338 -0.070) 0.373 29.550 ( 0.152 -0.405 0.115) 0.447 29.555 ( -0.104 -0.730 -0.093) 0.743 33.531 ( -1.144 -0.119 2.376) 2.640 33.547 ( 0.498 -1.493 1.191) 1.974 33.716 ( -0.784 5.131 1.713) 5.466 33.905 ( 1.297 -13.119 -4.112) 13.809 36.713 ( -0.361 0.751 1.027) 1.323 36.740 ( 0.372 -1.674 1.767) 2.462 36.788 ( 0.192 1.917 -0.853) 2.107 36.856 ( 0.055 -4.621 -1.910) 5.000 40.087 ( 0.327 3.117 1.172) 3.346 40.126 ( 0.872 -0.523 0.945) 1.389 40.152 ( -0.275 2.469 -1.238) 2.776 40.180 ( -0.844 -0.108 -1.065) 1.363 41.087 ( 0.055 7.534 0.952) 7.594 41.133 ( -0.230 3.465 -0.690) 3.540 42.887 ( -0.108 17.267 4.398) 17.818 43.172 ( -0.198 -10.110 -6.210) 11.867 ======================= Grid point 88 (46/70) ======================= q-point: ( 0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 10.434 10.563 5.871) 15.966 2.162 ( 10.401 3.353 -1.657) 11.053 2.319 ( 1.097 6.988 -0.834) 7.123 2.376 ( 4.289 1.548 1.975) 4.969 2.477 ( 1.581 2.764 5.259) 6.148 2.553 ( 3.050 3.024 2.451) 4.945 2.625 ( 2.299 -2.094 3.967) 5.041 2.755 ( 8.272 -7.783 -3.555) 11.901 2.810 ( 0.266 -0.670 -1.293) 1.480 2.830 ( 9.724 -0.637 -0.002) 9.744 2.910 ( 6.347 -0.190 -4.148) 7.585 3.005 ( 7.813 -6.650 -10.257) 14.507 3.323 ( 4.228 0.421 -6.012) 7.362 3.357 ( 4.284 -1.779 -8.934) 10.066 3.714 ( -1.950 5.176 1.715) 5.791 3.810 ( 0.408 -2.780 2.615) 3.839 3.942 ( -3.814 5.304 2.008) 6.834 4.026 ( -1.015 -2.185 0.148) 2.414 4.133 ( -0.756 9.361 3.000) 9.859 4.328 ( 2.500 -4.446 -2.494) 5.678 4.395 ( -0.969 2.864 -1.992) 3.621 4.409 ( -4.416 -0.454 0.744) 4.502 4.533 ( -2.354 -3.664 -1.320) 4.550 4.556 ( -0.624 -3.778 0.529) 3.865 4.695 ( -6.670 5.100 4.052) 9.323 4.811 ( -7.555 -5.763 4.085) 10.343 5.090 ( -5.275 11.775 0.470) 12.911 5.196 ( -1.236 1.926 -3.816) 4.450 5.406 ( -0.630 -0.900 -0.051) 1.100 5.462 ( -0.464 1.631 -6.035) 6.269 5.514 ( -1.520 1.914 -1.529) 2.883 5.636 ( -3.950 -5.204 1.279) 6.657 5.699 ( 0.324 2.500 1.658) 3.017 5.737 ( -1.228 -1.396 -0.260) 1.878 6.053 ( -1.061 2.769 0.846) 3.083 6.098 ( -1.912 -0.131 2.253) 2.958 6.303 ( 0.038 2.293 0.157) 2.299 6.383 ( -2.348 -3.372 -0.053) 4.109 6.478 ( 2.262 6.415 -2.300) 7.180 6.584 ( 0.839 -2.915 -0.977) 3.187 6.724 ( -0.579 3.336 4.313) 5.483 6.813 ( 0.530 -4.134 3.427) 5.395 7.031 ( -5.556 1.456 0.720) 5.788 7.073 ( -5.184 -2.285 1.795) 5.943 7.167 ( 1.268 1.030 3.113) 3.516 7.194 ( 0.345 -1.107 2.521) 2.775 7.393 ( 1.385 6.513 0.572) 6.683 7.450 ( 1.564 2.381 -0.665) 2.925 7.529 ( 4.157 2.834 -1.048) 5.139 7.581 ( 3.975 -2.871 -3.191) 5.850 7.726 ( 4.575 2.626 0.106) 5.276 7.793 ( 0.628 -2.325 1.005) 2.610 8.041 ( 2.709 5.006 -0.316) 5.701 8.133 ( 3.843 -3.704 -1.656) 5.589 8.362 ( -1.101 3.310 0.573) 3.535 8.446 ( -2.072 -5.604 -0.581) 6.003 8.729 ( -1.218 6.807 3.077) 7.569 8.841 ( -1.300 -4.225 2.341) 5.002 9.381 ( -3.872 3.368 -3.306) 6.105 9.437 ( -1.778 -1.749 -3.730) 4.487 12.637 ( 0.415 4.991 0.383) 5.022 12.732 ( 2.652 -0.398 -1.878) 3.274 12.796 ( -0.202 -2.520 -2.032) 3.243 12.870 ( 2.013 -5.951 -2.043) 6.606 13.235 ( -1.212 2.363 1.747) 3.179 13.283 ( -0.661 -2.085 2.089) 3.025 13.437 ( -2.194 1.926 1.382) 3.230 13.473 ( -0.662 -1.452 1.286) 2.049 17.747 ( 0.618 1.255 0.312) 1.433 17.776 ( 0.920 -1.222 -0.207) 1.543 17.862 ( 0.140 0.975 -0.761) 1.244 17.885 ( 0.156 -1.199 -0.005) 1.210 18.816 ( 0.322 0.896 0.554) 1.102 18.827 ( -0.035 -0.164 0.153) 0.227 18.838 ( -0.102 1.615 0.289) 1.644 18.875 ( 0.033 -1.826 -0.306) 1.851 20.716 ( 0.278 0.485 -0.047) 0.561 20.731 ( 0.740 -0.976 0.053) 1.226 20.955 ( -0.578 0.163 0.191) 0.630 20.965 ( -0.551 -0.814 -0.246) 1.013 21.271 ( 3.634 0.283 0.054) 3.645 21.278 ( 4.027 -0.420 -0.055) 4.049 21.629 ( -2.109 0.002 -0.010) 2.109 21.639 ( -1.621 -0.961 0.062) 1.886 22.992 ( 0.664 1.483 0.405) 1.675 23.023 ( 0.259 -1.102 -0.165) 1.144 23.123 ( -0.743 -0.087 -0.333) 0.818 23.138 ( -0.645 -1.336 -0.356) 1.526 29.539 ( -0.104 -0.061 -0.112) 0.165 29.544 ( -0.129 -0.477 0.030) 0.495 29.554 ( 0.153 -0.464 0.146) 0.510 29.556 ( 0.224 -0.592 -0.168) 0.655 33.492 ( -2.337 1.730 2.364) 3.748 33.536 ( -1.154 -2.082 0.750) 2.496 33.734 ( 1.910 4.593 0.939) 5.062 33.923 ( 0.569 -13.368 -2.984) 13.709 36.706 ( -0.282 1.732 0.839) 1.945 36.754 ( 0.204 -2.753 1.794) 3.292 36.786 ( 0.279 2.673 -0.963) 2.855 36.872 ( 1.188 -5.569 -1.766) 5.962 40.010 ( -1.161 2.835 0.345) 3.083 40.048 ( -1.166 -0.770 0.211) 1.413 40.383 ( 14.385 3.900 -0.422) 14.910 40.419 ( 14.944 0.435 -0.627) 14.963 41.056 ( -1.942 6.346 1.165) 6.738 41.082 ( -3.352 4.075 -0.297) 5.285 42.711 ( -16.027 15.431 3.947) 22.595 42.945 ( -19.171 -6.846 -5.609) 21.116 ======================= Grid point 89 (47/70) ======================= q-point: ( 0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.761 11.877 8.141) 14.419 2.316 ( 2.999 9.445 1.509) 10.024 2.420 ( -0.383 -2.766 3.233) 4.272 2.474 ( 5.402 0.062 0.234) 5.408 2.544 ( 6.734 4.435 -1.071) 8.134 2.608 ( 3.480 -0.490 -2.043) 4.065 2.744 ( 1.992 9.285 0.965) 9.545 2.834 ( 1.407 1.488 -1.495) 2.536 2.871 ( 10.205 -1.954 -4.209) 11.210 3.071 ( 14.263 -10.880 3.139) 18.212 3.192 ( 13.499 0.641 -0.507) 13.524 3.246 ( 14.185 -2.961 -1.854) 14.609 3.402 ( 4.302 4.031 -6.134) 8.508 3.469 ( 5.687 -2.683 -5.742) 8.515 3.685 ( -0.829 8.033 0.006) 8.075 3.769 ( -5.456 2.597 -1.290) 6.179 3.828 ( -9.424 -2.752 2.989) 10.262 3.948 ( -3.033 -8.240 3.426) 9.425 4.131 ( -2.538 6.212 0.600) 6.737 4.262 ( -6.251 -3.499 -1.337) 7.287 4.324 ( -8.909 11.434 1.380) 14.561 4.399 ( 3.499 -1.410 -3.399) 5.078 4.432 ( 1.621 -2.286 -6.704) 7.266 4.521 ( -5.871 -5.820 5.905) 10.159 4.669 ( -0.041 -2.833 4.748) 5.528 4.697 ( 2.150 -4.937 -1.584) 5.614 4.947 ( -7.116 14.653 2.504) 16.481 5.151 ( -2.622 -2.615 -0.399) 3.724 5.357 ( -5.799 0.368 -0.545) 5.836 5.424 ( -1.757 2.046 -6.846) 7.358 5.468 ( -4.395 -4.655 -2.375) 6.828 5.526 ( 0.052 -3.725 -5.467) 6.616 5.691 ( 0.513 5.322 1.081) 5.455 5.774 ( 2.022 -1.911 1.155) 3.012 6.016 ( -2.188 2.875 1.366) 3.863 6.040 ( -3.236 0.441 2.866) 4.345 6.315 ( 0.367 -0.476 1.009) 1.175 6.346 ( -0.809 -2.539 -0.309) 2.682 6.533 ( 2.805 5.467 -1.842) 6.415 6.587 ( -0.428 1.066 -0.167) 1.160 6.715 ( -0.436 2.483 3.858) 4.608 6.801 ( -1.859 -4.484 3.879) 6.213 6.939 ( -2.864 1.325 -3.078) 4.408 6.971 ( -3.499 -1.374 -2.320) 4.418 7.203 ( 1.120 1.313 5.282) 5.557 7.226 ( 0.367 -0.644 6.060) 6.106 7.388 ( 0.461 4.714 0.634) 4.779 7.448 ( -0.072 -0.301 -0.168) 0.352 7.594 ( 1.405 3.173 1.082) 3.635 7.629 ( 0.257 -0.468 0.129) 0.549 7.849 ( 4.104 1.437 -1.123) 4.492 7.871 ( 5.132 -1.241 -2.425) 5.810 8.126 ( 4.591 4.894 0.538) 6.732 8.221 ( 3.250 -3.863 -1.095) 5.165 8.344 ( 0.053 2.595 -0.750) 2.702 8.382 ( -3.266 -1.182 0.160) 3.477 8.740 ( 2.438 5.386 1.383) 6.072 8.826 ( 0.528 -2.678 1.387) 3.062 9.273 ( -5.154 4.320 -2.744) 7.263 9.362 ( -4.592 -3.407 -3.539) 6.724 12.644 ( 0.119 6.103 1.918) 6.398 12.740 ( -2.727 4.798 1.248) 5.658 12.793 ( 0.891 -7.574 1.416) 7.757 12.863 ( -2.419 -6.582 2.521) 7.452 13.254 ( 2.521 2.135 -2.178) 3.957 13.294 ( 0.990 -1.269 -1.328) 2.087 13.412 ( 0.253 1.775 -0.505) 1.863 13.464 ( 0.169 -2.961 -1.640) 3.389 17.766 ( 0.972 1.285 0.434) 1.669 17.799 ( 1.093 -1.654 0.337) 2.011 17.858 ( -0.483 0.838 -0.564) 1.120 17.876 ( -0.824 -0.867 0.398) 1.260 18.823 ( 0.049 0.645 0.692) 0.948 18.829 ( 0.305 0.234 0.171) 0.421 18.841 ( 0.440 1.330 -0.494) 1.485 18.874 ( -0.058 -1.590 -0.508) 1.670 20.734 ( 1.296 0.703 -0.070) 1.476 20.755 ( 1.229 -1.292 0.007) 1.783 20.938 ( -0.888 0.052 0.189) 0.910 20.948 ( -0.863 -0.964 -0.277) 1.323 21.367 ( 4.931 0.509 0.091) 4.958 21.384 ( 5.304 -1.030 -0.011) 5.403 21.565 ( -3.691 0.448 -0.025) 3.718 21.585 ( -3.373 -1.407 0.074) 3.655 23.012 ( 1.036 0.878 0.318) 1.394 23.033 ( 0.684 -0.995 0.331) 1.252 23.102 ( -0.985 0.254 -0.586) 1.174 23.118 ( -1.156 -1.076 -0.299) 1.608 29.538 ( 0.017 -0.027 -0.123) 0.127 29.541 ( -0.152 -0.205 0.015) 0.255 29.557 ( 0.069 -0.474 0.145) 0.501 29.561 ( 0.197 -0.783 -0.153) 0.822 33.452 ( -1.333 2.318 1.969) 3.321 33.512 ( -0.983 -2.956 0.455) 3.148 33.779 ( 1.831 2.700 0.602) 3.317 33.921 ( -0.413 -10.724 -2.144) 10.944 36.704 ( 0.010 2.307 0.680) 2.405 36.748 ( -0.476 0.124 0.301) 0.577 36.803 ( 0.890 -0.223 0.465) 1.029 36.891 ( 0.644 -6.719 -1.796) 6.985 40.046 ( 3.596 2.970 0.335) 4.676 40.078 ( 2.954 -0.113 0.274) 2.969 40.618 ( 3.467 5.455 -1.070) 6.552 40.658 ( 2.441 1.739 -1.338) 3.283 41.132 ( 13.121 5.781 1.865) 14.459 41.160 ( 16.016 3.075 1.534) 16.381 42.252 ( -25.262 12.006 2.132) 28.051 42.398 ( -29.057 -1.665 -4.196) 29.405 ======================= Grid point 90 (48/70) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -1.748 8.217 9.797) 12.906 2.329 ( -2.156 -1.369 8.334) 8.716 2.438 ( 2.115 6.908 -2.053) 7.511 2.461 ( -1.905 6.432 0.116) 6.709 2.622 ( -1.047 3.422 -3.841) 5.250 2.665 ( -2.188 1.548 -2.092) 3.400 2.744 ( 1.430 2.492 -5.551) 6.250 2.833 ( -1.188 -1.036 1.124) 1.936 3.134 ( 6.957 6.554 2.764) 9.949 3.308 ( -5.183 -5.792 3.237) 8.419 3.322 ( -4.421 -0.843 -0.515) 4.530 3.340 ( -3.876 1.638 0.311) 4.220 3.438 ( -3.141 8.711 -3.846) 10.027 3.613 ( 9.302 3.513 -1.698) 10.087 3.657 ( -2.440 -7.505 -4.339) 9.005 3.718 ( 8.979 -3.779 -7.216) 12.124 3.756 ( -4.415 0.827 2.951) 5.374 3.806 ( 1.935 -4.729 2.090) 5.520 4.078 ( 0.613 5.308 -2.144) 5.757 4.183 ( -1.203 -3.759 -3.397) 5.207 4.206 ( -1.983 0.419 7.091) 7.375 4.290 ( -6.525 -4.309 7.909) 11.122 4.519 ( 3.901 2.683 -5.082) 6.946 4.581 ( 7.637 -2.603 -6.341) 10.262 4.720 ( 2.486 -0.854 0.074) 2.630 4.762 ( 3.560 -3.965 -1.925) 5.666 4.848 ( -0.540 12.028 7.418) 14.142 5.030 ( -8.293 -4.708 3.332) 10.102 5.262 ( 0.004 5.042 -4.696) 6.890 5.368 ( -0.861 -4.395 -4.514) 6.359 5.463 ( 1.804 2.901 -5.354) 6.351 5.541 ( 1.103 -3.863 -5.445) 6.767 5.722 ( 2.044 3.475 1.335) 4.247 5.797 ( -0.141 -1.658 -0.496) 1.736 5.976 ( -2.730 1.252 2.944) 4.205 5.990 ( 0.230 -0.231 3.047) 3.064 6.313 ( -0.299 0.323 1.205) 1.283 6.350 ( 0.970 -2.929 0.268) 3.097 6.566 ( -1.658 4.085 -0.520) 4.439 6.582 ( 1.618 2.442 -1.566) 3.321 6.718 ( 0.139 1.312 3.979) 4.192 6.761 ( -1.735 -2.578 3.801) 4.909 6.899 ( -1.556 -0.133 -3.654) 3.974 6.901 ( -1.300 -0.243 -3.761) 3.987 7.230 ( 1.232 1.061 5.981) 6.198 7.249 ( 1.835 -0.554 6.361) 6.644 7.406 ( 0.179 3.824 0.786) 3.908 7.445 ( -0.757 -0.071 0.436) 0.877 7.618 ( 0.677 2.206 1.587) 2.801 7.623 ( -0.825 1.262 1.502) 2.128 7.887 ( -0.154 2.018 -2.420) 3.155 7.931 ( 1.049 -2.665 -2.746) 3.968 8.176 ( -0.909 3.387 1.497) 3.813 8.234 ( -1.755 -1.079 0.498) 2.119 8.336 ( -0.131 2.590 -0.662) 2.676 8.375 ( 1.920 -1.237 -1.526) 2.747 8.776 ( -0.226 7.884 1.861) 8.104 8.902 ( 4.356 -3.743 -1.949) 6.065 9.194 ( -0.962 3.361 -1.811) 3.937 9.271 ( -1.432 -2.930 -3.418) 4.724 12.645 ( -0.306 5.612 2.681) 6.227 12.672 ( -2.933 4.531 2.615) 5.998 12.794 ( -2.926 -5.766 3.110) 7.175 12.801 ( -1.327 -7.909 3.108) 8.601 13.305 ( 0.726 1.817 -2.489) 3.166 13.314 ( 2.529 0.846 -2.246) 3.487 13.435 ( 1.295 1.052 -1.576) 2.295 13.490 ( 2.414 -3.967 -3.392) 5.751 17.783 ( 0.325 0.922 0.673) 1.187 17.810 ( -0.539 -1.503 1.022) 1.896 17.842 ( -0.684 0.930 -0.493) 1.255 17.865 ( 0.099 -1.121 -0.027) 1.126 18.820 ( -0.242 1.407 0.425) 1.490 18.839 ( 0.477 0.007 0.425) 0.639 18.851 ( 0.412 0.318 -0.655) 0.837 18.871 ( -0.108 -1.022 -0.708) 1.247 20.756 ( 0.252 0.352 0.172) 0.466 20.768 ( -0.310 -0.836 -0.273) 0.933 20.926 ( -0.101 0.006 0.161) 0.190 20.937 ( 0.089 -1.169 -0.263) 1.201 21.465 ( -0.405 0.678 0.334) 0.857 21.481 ( 0.272 0.386 -0.086) 0.479 21.488 ( 0.162 -1.278 0.153) 1.297 21.503 ( 0.011 -1.492 -0.230) 1.509 23.027 ( -0.074 0.609 0.638) 0.885 23.044 ( -0.042 -0.999 0.448) 1.096 23.091 ( 0.242 0.107 -0.716) 0.763 23.098 ( -0.156 -0.506 -0.510) 0.735 29.538 ( -0.067 0.037 -0.047) 0.090 29.539 ( 0.097 -0.107 -0.074) 0.163 29.557 ( -0.069 -0.425 0.125) 0.448 29.563 ( 0.040 -0.964 -0.127) 0.973 33.444 ( 0.317 1.692 1.751) 2.455 33.501 ( 0.006 -3.543 0.456) 3.573 33.807 ( 0.516 1.141 0.777) 1.473 33.904 ( -0.817 -7.922 -2.190) 8.260 36.706 ( 0.044 2.253 0.690) 2.357 36.741 ( -0.131 1.141 -0.131) 1.155 36.812 ( -0.267 -1.135 0.835) 1.434 36.896 ( 0.114 -7.063 -1.872) 7.308 40.110 ( 0.700 2.146 0.381) 2.289 40.115 ( -0.876 1.579 0.309) 1.832 40.619 ( 0.158 4.111 -0.975) 4.228 40.627 ( -0.283 3.263 -1.300) 3.524 41.522 ( 2.016 6.796 5.908) 9.228 41.547 ( -1.743 4.634 5.524) 7.418 41.823 ( -9.586 4.744 -5.084) 11.843 41.834 ( 10.075 3.589 -4.852) 11.744 ======================= Grid point 91 (49/70) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -4.121 7.756 7.541) 11.577 2.275 ( -3.649 -3.991 7.510) 9.254 2.431 ( -0.486 9.923 -4.213) 10.791 2.462 ( -1.048 9.105 -2.259) 9.439 2.548 ( -4.985 2.305 -5.294) 7.628 2.591 ( -3.040 6.208 2.980) 7.527 2.678 ( -7.933 -5.454 -1.563) 9.753 2.736 ( -7.500 -3.531 6.295) 10.409 2.961 ( -12.085 2.653 -1.291) 12.440 3.075 ( -9.180 -8.206 -4.759) 13.201 3.195 ( -12.272 3.466 -0.870) 12.782 3.208 ( -9.913 3.357 0.800) 10.496 3.346 ( -4.072 1.689 -6.645) 7.974 3.406 ( -8.636 -2.285 -4.396) 9.956 3.713 ( 2.248 6.285 2.625) 7.173 3.827 ( 7.096 5.024 -1.033) 8.756 3.913 ( -3.249 -9.963 8.242) 13.332 3.952 ( 7.564 -4.736 -1.340) 9.024 4.108 ( 1.812 3.586 -1.039) 4.150 4.194 ( 8.724 1.255 -1.307) 8.910 4.292 ( 2.305 -3.051 -3.869) 5.440 4.361 ( 10.951 -3.322 0.176) 11.445 4.545 ( 2.949 2.238 -1.344) 3.938 4.620 ( -3.012 -5.869 -4.367) 7.912 4.780 ( -2.077 5.915 5.567) 8.384 4.836 ( 5.772 2.375 0.086) 6.242 4.906 ( -0.869 2.625 9.061) 9.473 4.979 ( 8.323 -2.821 -1.294) 8.883 5.304 ( 4.093 6.246 -5.891) 9.512 5.398 ( 3.252 -2.314 -4.347) 5.902 5.504 ( 2.385 2.901 -3.907) 5.419 5.556 ( 1.004 -1.093 -4.066) 4.328 5.751 ( -0.394 0.670 1.161) 1.397 5.785 ( -0.576 -0.819 0.322) 1.051 5.951 ( 0.830 3.053 1.564) 3.529 6.027 ( 2.148 -3.175 3.787) 5.389 6.313 ( 0.350 2.498 0.828) 2.655 6.391 ( 2.839 -4.595 -0.193) 5.405 6.514 ( -2.645 5.665 -0.783) 6.301 6.589 ( -0.986 -1.147 -1.047) 1.840 6.726 ( 0.368 0.388 3.550) 3.590 6.745 ( -0.210 -1.466 3.768) 4.048 6.876 ( 0.815 1.761 -2.296) 3.006 6.916 ( 2.059 -1.864 -1.864) 3.345 7.266 ( 0.065 1.279 5.749) 5.890 7.297 ( 0.716 -1.759 6.045) 6.336 7.393 ( -0.451 4.153 0.131) 4.179 7.427 ( 0.387 0.902 -1.587) 1.866 7.603 ( -0.886 2.862 0.720) 3.081 7.626 ( 0.289 1.052 0.751) 1.325 7.842 ( -3.942 2.572 -2.415) 5.290 7.907 ( -4.140 -3.314 -1.154) 5.428 8.096 ( -4.457 5.240 0.302) 6.886 8.200 ( -1.774 -4.014 -0.991) 4.499 8.357 ( 1.409 1.747 -0.948) 2.436 8.387 ( -0.263 -0.996 0.374) 1.096 8.762 ( -0.429 8.118 1.593) 8.284 8.903 ( -2.806 -5.248 1.945) 6.261 9.249 ( 5.418 4.556 -3.038) 7.703 9.331 ( 5.419 -2.340 -3.952) 7.103 12.615 ( -1.551 4.136 1.820) 4.777 12.661 ( 0.758 4.179 1.130) 4.395 12.732 ( -2.328 -6.090 1.071) 6.607 12.778 ( -1.196 -6.392 1.814) 6.752 13.319 ( 0.908 2.339 -1.625) 2.989 13.356 ( 1.225 -1.006 -0.899) 1.822 13.456 ( 0.789 3.148 -0.581) 3.297 13.532 ( 1.189 -3.904 -1.282) 4.278 17.776 ( -0.911 0.219 0.553) 1.088 17.788 ( -1.175 -0.831 0.476) 1.515 17.838 ( 0.293 1.379 -0.716) 1.581 17.871 ( 0.154 -1.789 0.267) 1.815 18.815 ( -0.269 1.833 0.354) 1.886 18.847 ( 0.076 -0.590 0.732) 0.943 18.852 ( -0.251 0.361 -0.319) 0.543 18.873 ( 0.297 -0.918 -0.885) 1.310 20.737 ( -1.566 0.367 -0.094) 1.611 20.750 ( -1.027 -0.829 0.031) 1.320 20.936 ( 0.849 0.233 0.119) 0.888 20.950 ( 0.888 -1.170 -0.207) 1.484 21.367 ( -4.889 0.581 0.085) 4.924 21.384 ( -5.286 -1.153 -0.005) 5.410 21.566 ( 3.634 0.446 -0.026) 3.661 21.586 ( 3.409 -1.444 0.075) 3.702 23.012 ( -1.013 0.969 0.372) 1.451 23.032 ( -0.817 -0.692 0.302) 1.113 23.106 ( 1.133 -0.132 -0.659) 1.318 23.114 ( 1.098 -0.838 -0.250) 1.404 29.538 ( 0.055 0.099 -0.100) 0.151 29.542 ( 0.130 -0.300 -0.011) 0.327 29.554 ( -0.189 -0.311 0.080) 0.373 29.562 ( -0.120 -1.023 -0.085) 1.034 33.468 ( 1.656 0.783 1.719) 2.513 33.513 ( 0.919 -3.336 0.849) 3.563 33.800 ( -1.311 0.766 1.444) 2.096 33.886 ( -0.386 -7.268 -3.131) 7.924 36.707 ( 0.047 1.661 0.759) 1.827 36.743 ( 0.237 0.203 0.317) 0.445 36.795 ( -1.121 0.476 0.252) 1.244 36.891 ( -0.455 -6.884 -1.677) 7.100 40.047 ( -3.761 2.558 0.341) 4.561 40.071 ( -3.033 0.288 0.267) 3.058 40.619 ( -3.239 5.103 -1.074) 6.139 40.648 ( -2.553 2.307 -1.243) 3.659 41.139 ( -14.199 5.871 1.855) 15.476 41.174 ( -14.978 2.721 1.445) 15.291 42.242 ( 25.228 13.389 1.638) 28.608 42.419 ( 29.793 -3.263 -3.695) 30.198 ======================= Grid point 92 (50/70) ======================= q-point: (-0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -9.059 12.529 4.159) 16.011 2.155 ( -8.004 -3.037 2.018) 8.795 2.373 ( -4.430 2.778 4.278) 6.756 2.412 ( -2.588 0.339 -1.808) 3.175 2.468 ( -2.183 5.857 1.683) 6.473 2.499 ( -0.937 5.666 1.273) 5.882 2.580 ( -0.960 -0.640 1.129) 1.614 2.617 ( -5.123 -2.038 -2.091) 5.897 2.792 ( -5.318 -3.188 -0.240) 6.205 2.882 ( -7.819 -8.305 -4.015) 12.093 2.912 ( -8.110 2.907 -3.138) 9.169 3.005 ( -5.731 -4.957 -2.349) 7.933 3.247 ( -2.383 5.408 -8.796) 10.597 3.345 ( -0.960 -3.639 -9.949) 10.637 3.743 ( 0.207 5.252 4.609) 6.990 3.844 ( -2.160 -3.967 6.681) 8.065 3.949 ( 3.875 6.866 -1.786) 8.084 4.050 ( 2.841 -1.608 0.340) 3.282 4.132 ( -2.122 7.248 2.627) 7.996 4.259 ( 1.463 -7.083 -4.669) 8.609 4.352 ( 2.828 4.771 -3.308) 6.458 4.518 ( -3.087 -7.350 -3.250) 8.609 4.579 ( 3.142 1.533 1.855) 3.958 4.678 ( 2.073 -5.898 0.063) 6.253 4.733 ( 2.909 6.820 7.126) 10.284 4.871 ( 0.539 -5.110 5.832) 7.773 5.016 ( 7.454 9.346 -0.719) 11.976 5.150 ( 5.965 -3.920 -3.190) 7.818 5.361 ( 0.987 5.908 -2.477) 6.481 5.470 ( 2.136 -4.341 -5.318) 7.189 5.550 ( 2.745 8.904 -0.999) 9.371 5.601 ( 3.242 3.456 -1.251) 4.901 5.725 ( -1.284 1.464 0.700) 2.069 5.754 ( -2.269 -0.828 2.770) 3.676 6.013 ( 3.974 0.142 0.341) 3.991 6.064 ( 0.653 -3.014 3.075) 4.356 6.336 ( 1.399 5.929 0.172) 6.095 6.447 ( -0.481 0.297 -0.335) 0.657 6.477 ( 1.481 -0.969 -1.220) 2.149 6.543 ( -2.512 -2.996 -1.540) 4.202 6.734 ( -0.276 0.458 3.527) 3.567 6.757 ( 0.833 -1.446 3.865) 4.210 6.931 ( 4.458 2.564 0.681) 5.188 6.988 ( 4.650 -2.594 0.051) 5.325 7.241 ( -0.917 1.041 3.994) 4.228 7.273 ( -1.855 -1.947 4.255) 5.033 7.402 ( -1.090 6.379 0.363) 6.481 7.446 ( -0.905 2.200 -2.116) 3.184 7.578 ( -2.103 4.264 -2.086) 5.192 7.619 ( -2.686 0.178 -2.697) 3.810 7.736 ( -3.508 -1.442 -0.273) 3.802 7.767 ( -4.760 -4.544 2.413) 7.009 8.038 ( -1.729 6.064 -0.236) 6.310 8.136 ( -3.328 -3.474 -1.773) 5.127 8.374 ( 0.319 0.850 1.136) 1.454 8.411 ( 2.387 -3.202 -1.400) 4.232 8.763 ( -0.133 6.761 3.885) 7.799 8.866 ( -0.621 -3.091 2.301) 3.904 9.362 ( 4.693 3.590 -3.452) 6.843 9.426 ( 3.130 -1.688 -4.082) 5.414 12.604 ( 0.398 3.719 0.530) 3.778 12.675 ( -0.096 1.308 -1.412) 1.927 12.721 ( 2.054 -4.666 -1.683) 5.368 12.767 ( 0.388 -5.069 -1.710) 5.363 13.331 ( -0.153 1.745 1.150) 2.095 13.353 ( -1.695 -0.240 1.726) 2.431 13.471 ( 0.578 2.789 1.258) 3.114 13.530 ( -1.284 -2.775 1.073) 3.240 17.756 ( -0.881 0.328 0.519) 1.074 17.768 ( -0.574 -0.747 -0.190) 0.961 17.848 ( 0.665 0.754 -0.881) 1.337 17.869 ( -0.238 -1.222 -0.132) 1.252 18.811 ( -0.147 1.824 0.432) 1.880 18.840 ( -0.505 -0.670 0.210) 0.865 18.849 ( -0.210 0.934 0.631) 1.146 18.876 ( 0.059 -1.501 -0.566) 1.605 20.712 ( -0.456 0.759 -0.037) 0.886 20.732 ( -0.505 -1.121 0.042) 1.230 20.953 ( 0.630 0.287 0.141) 0.706 20.966 ( 0.526 -0.950 -0.197) 1.103 21.271 ( -3.620 0.292 0.049) 3.633 21.279 ( -4.042 -0.488 -0.050) 4.072 21.628 ( 2.057 0.103 -0.004) 2.060 21.641 ( 1.622 -1.088 0.057) 1.954 22.993 ( -0.703 1.472 0.545) 1.720 23.020 ( -0.198 -0.736 -0.283) 0.813 23.127 ( 0.664 -0.499 -0.245) 0.866 23.135 ( 0.784 -1.009 -0.464) 1.360 29.540 ( 0.175 -0.037 -0.126) 0.218 29.545 ( 0.069 -0.476 0.042) 0.483 29.550 ( -0.167 -0.176 0.036) 0.245 29.559 ( -0.205 -0.950 -0.055) 0.974 33.512 ( 2.077 -0.177 1.701) 2.690 33.534 ( 0.594 -2.021 1.545) 2.612 33.757 ( -2.559 2.434 2.051) 4.085 33.885 ( 0.727 -9.792 -4.228) 10.690 36.711 ( 0.249 0.880 0.879) 1.269 36.744 ( -0.493 -2.282 1.818) 2.959 36.780 ( 0.127 3.220 -1.151) 3.422 36.873 ( -0.995 -5.781 -1.643) 6.092 40.009 ( 1.018 2.531 0.354) 2.751 40.042 ( 1.167 -0.504 0.195) 1.286 40.386 ( -14.290 3.839 -0.423) 14.803 40.419 ( -14.366 0.647 -0.612) 14.393 41.051 ( 2.006 7.120 0.898) 7.452 41.096 ( 2.568 3.146 -0.040) 4.062 42.706 ( 15.852 16.518 3.529) 23.165 42.964 ( 19.212 -8.219 -5.189) 21.531 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.168 0.000 -4.010) 9.100 1.036 ( 8.168 0.000 4.010) 9.100 1.186 ( 6.132 0.000 -3.429) 7.026 1.186 ( -6.132 0.000 3.429) 7.026 2.110 ( 18.040 0.000 -27.468) 32.863 2.110 ( -18.040 0.000 27.468) 32.863 2.386 ( 7.830 0.000 -7.974) 11.176 2.386 ( -7.830 0.000 7.974) 11.176 2.761 ( 5.264 0.000 -15.386) 16.262 2.761 ( -5.264 0.000 15.386) 16.262 3.109 ( 10.002 0.000 -4.341) 10.903 3.109 ( -10.002 0.000 4.341) 10.903 3.342 ( -5.071 0.000 -3.162) 5.976 3.342 ( 5.071 0.000 3.162) 5.976 3.450 ( -8.804 0.000 -2.765) 9.228 3.450 ( 8.804 0.000 2.765) 9.228 3.530 ( -12.512 0.000 -3.953) 13.122 3.530 ( 12.512 0.000 3.953) 13.122 3.701 ( -0.908 0.000 -6.176) 6.243 3.701 ( 0.908 0.000 6.176) 6.243 4.285 ( -0.802 0.000 -21.442) 21.457 4.285 ( 0.802 0.000 21.442) 21.457 4.615 ( 4.197 0.000 -3.699) 5.594 4.615 ( -4.197 0.000 3.699) 5.594 4.897 ( 2.966 0.000 -8.045) 8.574 4.897 ( -2.966 0.000 8.045) 8.574 4.983 ( -2.123 0.000 -5.499) 5.895 4.983 ( 2.123 0.000 5.499) 5.895 5.505 ( -1.059 0.000 -2.225) 2.464 5.505 ( 1.059 0.000 2.225) 2.464 5.751 ( -3.948 0.000 -6.887) 7.938 5.751 ( 3.948 0.000 6.887) 7.938 5.885 ( 3.600 0.000 -1.213) 3.799 5.885 ( -3.600 0.000 1.213) 3.799 6.091 ( 0.326 0.000 -2.856) 2.875 6.091 ( -0.326 0.000 2.856) 2.875 6.243 ( 2.484 0.000 -1.651) 2.983 6.243 ( -2.484 0.000 1.651) 2.983 6.431 ( 3.546 0.000 -3.497) 4.980 6.431 ( -3.546 0.000 3.497) 4.980 6.779 ( -3.650 0.000 0.603) 3.700 6.779 ( 3.650 0.000 -0.603) 3.700 6.911 ( -2.359 0.000 -1.399) 2.743 6.911 ( 2.359 0.000 1.399) 2.743 7.058 ( -9.952 0.000 -1.745) 10.104 7.058 ( 9.952 0.000 1.745) 10.104 7.153 ( -5.305 0.000 0.027) 5.305 7.153 ( 5.305 0.000 -0.027) 5.305 7.532 ( -1.040 0.000 -4.736) 4.848 7.532 ( 1.040 0.000 4.736) 4.848 7.845 ( 6.812 0.000 -6.703) 9.557 7.845 ( -6.812 0.000 6.703) 9.557 7.866 ( 2.295 0.000 -2.213) 3.188 7.866 ( -2.295 0.000 2.213) 3.188 8.120 ( -16.937 0.000 3.931) 17.388 8.120 ( 16.937 0.000 -3.931) 17.388 8.782 ( 11.857 0.000 -8.666) 14.687 8.782 ( -11.857 0.000 8.666) 14.687 9.133 ( 0.324 0.000 -9.358) 9.363 9.133 ( -0.324 0.000 9.358) 9.363 12.874 ( 3.852 0.000 -7.295) 8.249 12.874 ( -3.852 0.000 7.295) 8.249 12.905 ( 0.205 0.000 -5.497) 5.501 12.905 ( -0.205 0.000 5.497) 5.501 13.304 ( 2.678 0.000 -1.969) 3.324 13.304 ( -2.678 0.000 1.969) 3.324 13.482 ( 1.653 0.000 -8.494) 8.653 13.482 ( -1.653 0.000 8.494) 8.653 17.744 ( -0.571 0.000 -0.595) 0.825 17.744 ( 0.571 0.000 0.595) 0.825 17.989 ( -6.316 0.000 -3.736) 7.338 17.989 ( 6.316 0.000 3.736) 7.338 18.726 ( -0.970 0.000 -1.518) 1.801 18.726 ( 0.970 0.000 1.518) 1.801 18.961 ( -0.170 0.000 -4.525) 4.528 18.961 ( 0.170 0.000 4.525) 4.528 20.820 ( -9.168 0.000 1.254) 9.253 20.820 ( 9.168 0.000 -1.254) 9.253 21.014 ( 0.450 0.000 -2.007) 2.057 21.014 ( -0.450 0.000 2.007) 2.057 21.233 ( -2.108 0.000 -0.634) 2.201 21.233 ( 2.108 0.000 0.634) 2.201 21.742 ( -1.987 0.000 -0.377) 2.023 21.742 ( 1.987 0.000 0.377) 2.023 23.116 ( 1.565 0.000 -3.996) 4.292 23.116 ( -1.565 0.000 3.996) 4.292 23.211 ( -1.282 0.000 -0.241) 1.304 23.211 ( 1.282 0.000 0.241) 1.304 29.619 ( 0.715 0.000 -0.842) 1.104 29.619 ( -0.715 0.000 0.842) 1.104 29.655 ( -0.728 0.000 -0.846) 1.116 29.655 ( 0.728 0.000 0.846) 1.116 33.638 ( 4.047 0.000 -3.249) 5.190 33.638 ( -4.047 0.000 3.249) 5.190 35.142 ( -20.283 0.000 -0.589) 20.292 35.142 ( 20.283 0.000 0.589) 20.292 36.773 ( 2.954 0.000 -1.104) 3.154 36.773 ( -2.954 0.000 1.104) 3.154 37.716 ( -21.017 0.000 2.417) 21.155 37.716 ( 21.017 0.000 -2.417) 21.155 39.805 ( -0.139 0.000 -8.165) 8.166 39.805 ( 0.139 0.000 8.165) 8.166 39.944 ( -0.854 0.000 -2.944) 3.066 39.944 ( 0.854 0.000 2.944) 3.066 40.085 ( 3.747 0.000 -2.356) 4.426 40.085 ( -3.747 0.000 2.356) 4.426 40.895 ( -8.388 0.000 -7.540) 11.279 40.895 ( 8.388 0.000 7.540) 11.279 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 15.390 0.000 -13.827) 20.689 1.197 ( 6.715 0.000 16.441) 17.759 1.332 ( 11.684 0.000 -11.083) 16.104 1.380 ( 11.808 0.000 22.723) 25.608 2.031 ( 9.975 0.000 20.059) 22.402 2.161 ( -12.705 0.000 8.273) 15.161 2.495 ( 4.151 0.000 2.749) 4.979 2.579 ( 21.443 0.000 -15.918) 26.706 2.712 ( -1.315 0.000 5.597) 5.749 2.919 ( 7.273 0.000 -19.083) 20.422 2.984 ( -0.862 0.000 -0.477) 0.985 3.081 ( -20.254 0.000 -2.597) 20.420 3.207 ( -1.116 0.000 0.329) 1.163 3.298 ( -2.605 0.000 -6.593) 7.089 3.385 ( 10.109 0.000 -8.051) 12.923 3.499 ( 5.615 0.000 5.319) 7.734 3.503 ( -2.718 0.000 0.460) 2.756 3.713 ( 3.661 0.000 -5.604) 6.694 3.774 ( 5.298 0.000 5.846) 7.890 3.825 ( 10.351 0.000 1.014) 10.401 4.230 ( -1.966 0.000 -16.799) 16.914 4.290 ( -2.786 0.000 21.509) 21.689 4.532 ( -3.040 0.000 2.191) 3.748 4.650 ( -0.327 0.000 -5.919) 5.928 4.860 ( -1.569 0.000 5.970) 6.173 4.946 ( -2.618 0.000 -0.864) 2.757 4.960 ( 2.620 0.000 -10.496) 10.818 5.063 ( 3.925 0.000 4.255) 5.789 5.378 ( -9.880 0.000 -7.171) 12.208 5.476 ( -2.602 0.000 -2.642) 3.708 5.602 ( -6.763 0.000 1.054) 6.845 5.655 ( -15.241 0.000 12.086) 19.451 5.752 ( -5.531 0.000 4.300) 7.006 5.872 ( -2.457 0.000 0.572) 2.523 6.096 ( 0.060 0.000 1.281) 1.283 6.099 ( -0.179 0.000 -4.721) 4.724 6.246 ( 2.017 0.000 0.371) 2.051 6.311 ( 2.030 0.000 0.599) 2.116 6.423 ( 3.144 0.000 0.038) 3.144 6.487 ( 0.262 0.000 -2.830) 2.842 6.668 ( -6.081 0.000 -1.074) 6.176 6.697 ( -12.999 0.000 -0.369) 13.004 6.805 ( -3.557 0.000 0.174) 3.561 6.892 ( -3.437 0.000 0.841) 3.539 6.938 ( 0.841 0.000 -0.061) 0.844 7.061 ( -3.776 0.000 -0.459) 3.804 7.128 ( -6.141 0.000 1.384) 6.295 7.266 ( 2.744 0.000 -2.137) 3.478 7.473 ( -8.985 0.000 9.795) 13.291 7.532 ( 1.513 0.000 -5.005) 5.229 7.602 ( 0.726 0.000 7.260) 7.296 7.786 ( -1.286 0.000 0.015) 1.286 7.814 ( -6.668 0.000 -0.928) 6.732 7.964 ( -1.902 0.000 5.133) 5.474 8.114 ( 15.578 0.000 -0.843) 15.601 8.253 ( 5.695 0.000 -10.131) 11.622 8.797 ( 2.859 0.000 6.656) 7.244 9.084 ( -0.621 0.000 -12.981) 12.996 9.186 ( 5.734 0.000 6.665) 8.792 9.326 ( 22.154 0.000 -14.077) 26.248 12.822 ( -1.112 0.000 5.762) 5.868 12.898 ( -0.119 0.000 -5.217) 5.218 12.914 ( 0.655 0.000 6.218) 6.252 12.950 ( 3.212 0.000 -5.653) 6.502 13.257 ( -1.097 0.000 1.640) 1.973 13.340 ( 0.716 0.000 -2.087) 2.207 13.461 ( -1.061 0.000 7.598) 7.671 13.496 ( 0.239 0.000 -9.028) 9.031 17.740 ( 0.164 0.000 -0.566) 0.589 17.768 ( 1.649 0.000 0.444) 1.708 17.847 ( -5.125 0.000 1.536) 5.350 18.057 ( -0.902 0.000 5.763) 5.833 18.718 ( 0.479 0.000 -1.778) 1.841 18.759 ( 1.820 0.000 1.461) 2.334 18.938 ( -1.296 0.000 -2.831) 3.114 18.940 ( -2.577 0.000 5.098) 5.712 20.703 ( -0.253 0.000 -0.815) 0.853 20.909 ( -0.376 0.000 -4.328) 4.344 21.021 ( 0.540 0.000 2.490) 2.548 21.038 ( 1.009 0.000 -4.030) 4.154 21.274 ( 4.263 0.000 -0.864) 4.349 21.445 ( 14.680 0.000 -4.554) 15.370 21.689 ( -2.995 0.000 -0.116) 2.997 21.776 ( 1.129 0.000 0.514) 1.241 23.094 ( -0.791 0.000 3.677) 3.761 23.149 ( 1.785 0.000 -3.759) 4.161 23.180 ( -1.529 0.000 -0.605) 1.644 23.232 ( 0.520 0.000 0.361) 0.633 29.604 ( -0.796 0.000 0.827) 1.148 29.623 ( -1.038 0.000 -0.052) 1.039 29.639 ( 0.124 0.000 -0.613) 0.625 29.665 ( 0.083 0.000 1.180) 1.183 33.568 ( -2.608 0.000 2.190) 3.406 33.696 ( -0.817 0.000 -0.405) 0.912 34.531 ( -25.627 0.000 21.158) 33.233 35.282 ( -5.027 0.000 7.230) 8.805 36.664 ( -4.599 0.000 1.189) 4.750 36.768 ( -2.223 0.000 -0.810) 2.366 37.436 ( -4.135 0.000 13.449) 14.070 38.018 ( 2.438 0.000 4.007) 4.690 39.796 ( 0.051 0.000 -7.313) 7.314 39.820 ( 0.211 0.000 8.541) 8.543 39.900 ( -1.881 0.000 -3.798) 4.239 39.902 ( -3.773 0.000 5.903) 7.006 40.094 ( 3.668 0.000 1.309) 3.894 40.187 ( 4.927 0.000 -0.870) 5.003 40.671 ( -9.194 0.000 -1.484) 9.313 40.889 ( -9.994 0.000 5.347) 11.335 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.659 0.000 33.411) 33.517 1.467 ( 15.271 0.000 6.079) 16.436 1.553 ( 22.563 0.000 -2.493) 22.700 1.774 ( 20.505 0.000 -11.010) 23.274 1.909 ( -8.535 0.000 -3.629) 9.275 2.233 ( -2.511 0.000 0.570) 2.575 2.591 ( -22.554 0.000 -4.975) 23.096 2.644 ( -18.046 0.000 5.954) 19.003 2.691 ( 2.838 0.000 0.118) 2.840 2.786 ( 21.058 0.000 7.250) 22.271 2.801 ( 1.851 0.000 -1.949) 2.688 3.270 ( 2.737 0.000 -8.125) 8.574 3.329 ( 8.414 0.000 -1.651) 8.574 3.360 ( 2.634 0.000 1.668) 3.117 3.457 ( 7.348 0.000 -5.226) 9.017 3.613 ( 20.771 0.000 -4.900) 21.341 3.674 ( 5.595 0.000 0.772) 5.648 3.768 ( 4.148 0.000 -8.487) 9.446 3.963 ( 2.095 0.000 0.434) 2.140 3.963 ( 9.687 0.000 3.072) 10.163 4.167 ( -1.352 0.000 -9.644) 9.738 4.216 ( -7.126 0.000 8.589) 11.160 4.499 ( 0.906 0.000 1.023) 1.367 4.644 ( 1.589 0.000 -8.207) 8.359 4.698 ( -14.232 0.000 -1.412) 14.302 4.877 ( -3.174 0.000 10.166) 10.650 4.920 ( -6.391 0.000 -11.159) 12.860 5.020 ( -15.709 0.000 12.999) 20.390 5.209 ( -3.155 0.000 -2.968) 4.331 5.319 ( -9.502 0.000 6.708) 11.631 5.437 ( 0.012 0.000 -5.427) 5.427 5.502 ( -2.755 0.000 4.369) 5.165 5.673 ( -0.341 0.000 -0.152) 0.373 5.828 ( -2.113 0.000 0.196) 2.122 6.083 ( -0.446 0.000 -4.746) 4.767 6.090 ( -0.802 0.000 2.938) 3.046 6.249 ( -3.108 0.000 3.125) 4.408 6.306 ( -3.075 0.000 2.732) 4.114 6.423 ( -5.182 0.000 4.541) 6.890 6.425 ( -2.846 0.000 -6.629) 7.214 6.562 ( 3.407 0.000 -4.309) 5.493 6.579 ( -1.143 0.000 -0.300) 1.182 6.718 ( -3.337 0.000 0.748) 3.420 6.808 ( -3.731 0.000 1.685) 4.094 6.940 ( -2.673 0.000 -2.521) 3.674 6.944 ( -6.306 0.000 0.208) 6.309 7.041 ( 3.519 0.000 -2.619) 4.387 7.241 ( -4.230 0.000 7.816) 8.887 7.514 ( 6.693 0.000 -4.489) 8.059 7.574 ( 2.441 0.000 -3.841) 4.551 7.644 ( 1.187 0.000 5.071) 5.208 7.741 ( -0.903 0.000 1.652) 1.883 7.765 ( -1.276 0.000 0.317) 1.315 7.855 ( -6.478 0.000 5.499) 8.497 8.429 ( 9.963 0.000 -13.745) 16.976 8.453 ( 14.135 0.000 2.406) 14.339 8.790 ( -3.652 0.000 12.876) 13.384 8.986 ( -6.741 0.000 -5.432) 8.658 9.382 ( 10.060 0.000 1.885) 10.235 9.593 ( 4.453 0.000 -9.081) 10.114 12.830 ( 0.888 0.000 3.314) 3.431 12.883 ( -0.815 0.000 -3.527) 3.620 12.950 ( 1.772 0.000 6.123) 6.374 12.994 ( 1.260 0.000 -6.011) 6.141 13.265 ( 1.355 0.000 0.260) 1.379 13.334 ( -0.968 0.000 -1.828) 2.069 13.453 ( -0.465 0.000 7.904) 7.918 13.477 ( -0.681 0.000 -8.974) 9.000 17.747 ( 0.544 0.000 -0.619) 0.824 17.778 ( -1.368 0.000 1.276) 1.871 17.825 ( 3.010 0.000 0.164) 3.014 17.996 ( -4.275 0.000 3.190) 5.334 18.743 ( 1.999 0.000 -2.239) 3.001 18.801 ( 1.646 0.000 1.637) 2.321 18.879 ( -3.019 0.000 3.966) 4.984 18.903 ( -1.622 0.000 -2.290) 2.806 20.752 ( 3.183 0.000 2.870) 4.286 20.872 ( -2.039 0.000 -3.798) 4.311 21.036 ( 0.453 0.000 3.563) 3.592 21.046 ( 0.358 0.000 -4.380) 4.395 21.386 ( 5.801 0.000 -1.310) 5.947 21.612 ( -4.173 0.000 0.394) 4.192 21.690 ( 7.559 0.000 -5.243) 9.199 21.792 ( 0.217 0.000 0.896) 0.922 23.093 ( 0.308 0.000 2.915) 2.932 23.144 ( -1.554 0.000 -1.161) 1.940 23.184 ( 1.688 0.000 -3.187) 3.607 23.233 ( -0.553 0.000 1.180) 1.304 29.589 ( -0.553 0.000 0.679) 0.875 29.596 ( -1.034 0.000 0.393) 1.106 29.648 ( 0.529 0.000 -0.902) 1.046 29.664 ( -0.232 0.000 1.123) 1.146 33.527 ( -1.375 0.000 0.036) 1.375 33.576 ( -6.661 0.000 9.186) 11.346 34.397 ( 7.635 0.000 9.415) 12.122 35.047 ( -15.460 0.000 3.386) 15.826 36.623 ( 0.290 0.000 -0.194) 0.349 36.709 ( -2.829 0.000 0.010) 2.829 37.473 ( 4.603 0.000 13.606) 14.363 37.887 ( -11.013 0.000 -6.418) 12.746 39.789 ( 0.061 0.000 -6.612) 6.612 39.815 ( -1.733 0.000 7.902) 8.089 39.858 ( -0.615 0.000 7.038) 7.065 39.870 ( -0.400 0.000 -6.204) 6.217 40.206 ( 6.393 0.000 0.886) 6.454 40.289 ( 4.667 0.000 0.161) 4.669 40.511 ( -5.980 0.000 -0.385) 5.993 40.612 ( -12.827 0.000 -1.640) 12.931 ======================= Grid point 121 (54/70) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -4.951 0.000 -21.341) 21.907 1.565 ( 4.951 0.000 21.341) 21.907 1.973 ( -16.512 0.000 4.216) 17.042 1.973 ( 16.512 0.000 -4.216) 17.042 2.079 ( -19.548 0.000 -7.688) 21.005 2.079 ( 19.548 0.000 7.688) 21.005 2.235 ( 17.939 0.000 -9.941) 20.509 2.235 ( -17.939 0.000 9.941) 20.509 2.764 ( 4.215 0.000 -3.606) 5.548 2.764 ( -4.215 0.000 3.606) 5.548 3.248 ( -11.388 0.000 2.066) 11.574 3.248 ( 11.388 0.000 -2.066) 11.574 3.322 ( -0.452 0.000 -4.144) 4.168 3.322 ( 0.452 0.000 4.144) 4.168 3.729 ( 1.352 0.000 -1.103) 1.744 3.729 ( -1.352 0.000 1.103) 1.744 3.823 ( -18.400 0.000 0.220) 18.401 3.823 ( 18.400 0.000 -0.220) 18.401 4.001 ( 1.878 0.000 -0.748) 2.021 4.001 ( -1.878 0.000 0.748) 2.021 4.252 ( 3.801 0.000 -12.983) 13.528 4.252 ( -3.801 0.000 12.983) 13.528 4.459 ( -14.418 0.000 -1.074) 14.458 4.459 ( 14.418 0.000 1.074) 14.458 4.707 ( -11.174 0.000 -0.190) 11.175 4.707 ( 11.174 0.000 0.190) 11.175 4.777 ( 5.137 0.000 -7.963) 9.476 4.777 ( -5.137 0.000 7.963) 9.476 5.219 ( -3.091 0.000 1.029) 3.258 5.219 ( 3.091 0.000 -1.029) 3.258 5.464 ( 2.095 0.000 -6.995) 7.302 5.464 ( -2.095 0.000 6.995) 7.302 5.745 ( 5.448 0.000 -2.119) 5.846 5.745 ( -5.448 0.000 2.119) 5.846 6.075 ( 0.537 0.000 -3.860) 3.897 6.075 ( -0.537 0.000 3.860) 3.897 6.224 ( -2.285 0.000 0.212) 2.295 6.224 ( 2.285 0.000 -0.212) 2.295 6.388 ( -0.308 0.000 -6.064) 6.071 6.388 ( 0.308 0.000 6.064) 6.071 6.592 ( -1.168 0.000 -1.344) 1.781 6.592 ( 1.168 0.000 1.344) 1.781 6.725 ( 3.878 0.000 -1.404) 4.124 6.725 ( -3.878 0.000 1.404) 4.124 6.888 ( -0.693 0.000 -1.549) 1.697 6.888 ( 0.693 0.000 1.549) 1.697 7.140 ( 5.353 0.000 -6.201) 8.192 7.140 ( -5.353 0.000 6.201) 8.192 7.608 ( 0.066 0.000 -0.952) 0.954 7.608 ( -0.066 0.000 0.952) 0.954 7.695 ( 5.104 0.000 -2.159) 5.542 7.695 ( -5.104 0.000 2.159) 5.542 7.759 ( -1.990 0.000 -2.043) 2.852 7.759 ( 1.990 0.000 2.043) 2.852 8.598 ( 5.075 0.000 -12.952) 13.910 8.598 ( -5.075 0.000 12.952) 13.910 8.805 ( -7.898 0.000 -4.460) 9.070 8.805 ( 7.898 0.000 4.460) 9.070 9.563 ( -5.540 0.000 -3.305) 6.451 9.563 ( 5.540 0.000 3.305) 6.451 12.857 ( -1.167 0.000 -2.765) 3.001 12.857 ( 1.167 0.000 2.765) 3.001 12.989 ( -0.917 0.000 -6.303) 6.370 12.989 ( 0.917 0.000 6.303) 6.370 13.301 ( -1.737 0.000 -0.486) 1.804 13.301 ( 1.737 0.000 0.486) 1.804 13.458 ( -0.102 0.000 -8.660) 8.660 13.458 ( 0.102 0.000 8.660) 8.660 17.760 ( 0.673 0.000 -0.841) 1.077 17.760 ( -0.673 0.000 0.841) 1.077 17.904 ( -4.190 0.000 1.258) 4.375 17.904 ( 4.190 0.000 -1.258) 4.375 18.793 ( 2.570 0.000 -2.667) 3.704 18.793 ( -2.570 0.000 2.667) 3.704 18.865 ( -1.442 0.000 -2.289) 2.705 18.865 ( 1.442 0.000 2.289) 2.705 20.819 ( -2.555 0.000 -3.713) 4.507 20.819 ( 2.555 0.000 3.713) 4.507 21.045 ( 0.033 0.000 -4.286) 4.287 21.045 ( -0.033 0.000 4.286) 4.287 21.508 ( -5.422 0.000 0.986) 5.511 21.508 ( 5.422 0.000 -0.986) 5.511 21.780 ( 1.899 0.000 -2.324) 3.001 21.780 ( -1.899 0.000 2.324) 3.001 23.112 ( -1.179 0.000 -2.013) 2.333 23.112 ( 1.179 0.000 2.013) 2.333 23.214 ( 1.307 0.000 -2.242) 2.595 23.214 ( -1.307 0.000 2.242) 2.595 29.584 ( -0.089 0.000 -0.230) 0.246 29.584 ( 0.089 0.000 0.230) 0.246 29.658 ( 0.434 0.000 -1.014) 1.103 29.658 ( -0.434 0.000 1.014) 1.103 33.512 ( 0.612 0.000 -4.337) 4.380 33.512 ( -0.612 0.000 4.337) 4.380 34.688 ( -16.491 0.000 -1.785) 16.587 34.688 ( 16.491 0.000 1.785) 16.587 36.653 ( -2.198 0.000 0.544) 2.264 36.653 ( 2.198 0.000 -0.544) 2.264 37.641 ( -9.443 0.000 -12.099) 15.348 37.641 ( 9.443 0.000 12.099) 15.348 39.791 ( 0.988 0.000 -6.936) 7.006 39.791 ( -0.988 0.000 6.936) 7.006 39.861 ( 0.123 0.000 -7.282) 7.283 39.861 ( -0.123 0.000 7.282) 7.283 40.368 ( -6.531 0.000 2.156) 6.878 40.368 ( 6.531 0.000 -2.156) 6.878 40.400 ( 2.422 0.000 -3.298) 4.092 40.400 ( -2.422 0.000 3.298) 4.092 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -8.396 10.549 -21.110) 25.048 1.212 ( 8.396 10.549 21.110) 25.048 1.552 ( 2.907 28.592 -17.472) 33.634 1.552 ( -2.907 28.592 17.472) 33.634 2.210 ( 12.027 9.168 -17.600) 23.205 2.210 ( -12.027 9.168 17.600) 23.205 2.490 ( 11.539 8.261 -13.724) 19.742 2.490 ( -11.539 8.261 13.724) 19.742 2.769 ( 7.326 1.984 -15.304) 17.083 2.769 ( -7.326 1.984 15.304) 17.083 3.100 ( 8.503 -2.595 -4.513) 9.971 3.100 ( -8.503 -2.595 4.513) 9.971 3.313 ( -1.022 -0.833 -0.661) 1.475 3.313 ( 1.022 -0.833 0.661) 1.475 3.456 ( -6.506 1.911 -1.313) 6.907 3.456 ( 6.506 1.911 1.313) 6.907 3.571 ( -3.685 3.846 -3.700) 6.486 3.571 ( 3.685 3.846 3.700) 6.486 3.756 ( -0.738 4.734 -7.622) 9.003 3.756 ( 0.738 4.734 7.622) 9.003 4.265 ( 0.643 -1.189 -15.818) 15.876 4.265 ( -0.643 -1.189 15.818) 15.876 4.572 ( 2.873 -2.867 -4.608) 6.141 4.572 ( -2.873 -2.867 4.608) 6.141 4.894 ( 1.214 -0.724 -6.699) 6.846 4.894 ( -1.214 -0.724 6.699) 6.846 5.003 ( -2.913 1.962 -5.367) 6.414 5.003 ( 2.913 1.962 5.367) 6.414 5.456 ( -0.355 -4.619 -3.050) 5.546 5.456 ( 0.355 -4.619 3.050) 5.546 5.698 ( -2.215 -2.720 -6.593) 7.468 5.698 ( 2.215 -2.720 6.593) 7.468 5.867 ( -4.663 -2.905 0.034) 5.494 5.867 ( 4.663 -2.905 -0.034) 5.494 6.124 ( -2.912 0.260 -2.927) 4.137 6.124 ( 2.912 0.260 2.927) 4.137 6.204 ( 1.175 -0.984 -4.909) 5.143 6.204 ( -1.175 -0.984 4.909) 5.143 6.504 ( 3.435 6.568 -2.477) 7.815 6.504 ( -3.435 6.568 2.477) 7.815 6.746 ( -4.209 -1.838 -4.056) 6.128 6.746 ( 4.209 -1.838 4.056) 6.128 6.916 ( -4.042 2.156 -0.273) 4.589 6.916 ( 4.042 2.156 0.273) 4.589 7.050 ( 1.843 0.422 -4.257) 4.658 7.050 ( -1.843 0.422 4.257) 4.658 7.238 ( -2.852 4.053 -0.798) 5.020 7.238 ( 2.852 4.053 0.798) 5.020 7.514 ( -1.916 -1.266 -4.828) 5.347 7.514 ( 1.916 -1.266 4.828) 5.347 7.788 ( 5.408 -3.234 -5.786) 8.554 7.788 ( -5.408 -3.234 5.786) 8.554 7.935 ( -2.865 4.740 -2.064) 5.911 7.935 ( 2.865 4.740 2.064) 5.911 8.227 ( 3.328 7.627 -5.932) 10.219 8.227 ( -3.328 7.627 5.932) 10.219 8.787 ( 11.866 0.009 -6.770) 13.661 8.787 ( -11.866 0.009 6.770) 13.661 9.190 ( 1.023 4.733 -7.670) 9.071 9.190 ( -1.023 4.733 7.670) 9.071 12.823 ( 0.000 -4.465 -1.994) 4.890 12.823 ( -0.000 -4.465 1.994) 4.890 12.936 ( -1.179 1.972 -2.664) 3.517 12.936 ( 1.179 1.972 2.664) 3.517 13.303 ( 1.504 -0.973 -3.361) 3.809 13.303 ( -1.504 -0.973 3.361) 3.809 13.454 ( -0.777 -0.912 -5.818) 5.940 13.454 ( 0.777 -0.912 5.818) 5.940 17.748 ( -0.561 0.276 -0.510) 0.807 17.748 ( 0.561 0.276 0.510) 0.807 17.958 ( -4.641 -2.467 -2.375) 5.767 17.958 ( 4.641 -2.467 2.375) 5.767 18.734 ( -0.925 0.799 -1.454) 1.900 18.734 ( 0.925 0.799 1.454) 1.900 18.949 ( -0.067 -1.117 -3.726) 3.890 18.949 ( 0.067 -1.117 3.726) 3.890 20.794 ( -6.523 -2.085 -0.360) 6.858 20.794 ( 6.523 -2.085 0.360) 6.858 21.008 ( 0.188 -0.546 -1.822) 1.911 21.008 ( -0.188 -0.546 1.822) 1.911 21.231 ( -1.349 -0.179 -0.609) 1.491 21.231 ( 1.349 -0.179 0.609) 1.491 21.731 ( -1.822 -1.031 -0.343) 2.122 21.731 ( 1.822 -1.031 0.343) 2.122 23.053 ( 1.585 -4.032 -3.325) 5.461 23.053 ( -1.585 -4.032 3.325) 5.461 23.218 ( -0.920 -0.170 0.037) 0.936 23.218 ( 0.920 -0.170 -0.037) 0.936 29.608 ( 0.383 -1.040 -0.577) 1.250 29.608 ( -0.383 -1.040 0.577) 1.250 29.640 ( -0.718 -1.327 -0.518) 1.595 29.640 ( 0.718 -1.327 0.518) 1.595 33.627 ( 3.362 -1.033 -2.758) 4.470 33.627 ( -3.362 -1.033 2.758) 4.470 34.849 ( 12.180 -23.368 -18.571) 32.238 34.849 ( -12.180 -23.368 18.571) 32.238 36.754 ( 2.430 -1.375 -1.172) 3.028 36.754 ( -2.430 -1.375 1.172) 3.028 37.381 ( 3.684 -19.850 -12.560) 23.777 37.381 ( -3.684 -19.850 12.560) 23.777 39.826 ( 0.549 3.712 -2.543) 4.533 39.826 ( -0.549 3.712 2.543) 4.533 40.021 ( -3.201 2.826 -1.627) 4.570 40.021 ( 3.201 2.826 1.627) 4.570 40.201 ( 1.795 12.137 -1.935) 12.421 40.201 ( -1.795 12.137 1.935) 12.421 41.595 ( -6.967 47.893 -32.266) 58.167 41.595 ( 6.967 47.893 32.266) 58.167 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 11.025 8.774 -16.053) 21.360 1.481 ( 7.485 20.525 10.430) 24.209 1.523 ( 4.547 16.647 19.165) 25.789 1.754 ( 11.991 25.207 -5.648) 28.479 2.058 ( -3.548 4.777 13.132) 14.417 2.294 ( -2.841 12.919 9.620) 16.356 2.531 ( 13.469 3.796 -2.447) 14.206 2.677 ( -0.518 2.066 2.003) 2.924 2.739 ( 8.390 6.526 -7.168) 12.820 2.876 ( -9.943 -6.169 5.876) 13.094 2.990 ( 14.345 4.159 -17.539) 23.037 3.062 ( -17.104 -2.110 -3.772) 17.641 3.222 ( 2.908 2.291 -0.689) 3.766 3.371 ( 4.801 -1.263 -2.397) 5.513 3.418 ( 3.410 3.678 -5.147) 7.187 3.498 ( 2.602 9.107 -5.485) 10.945 3.575 ( 1.074 6.295 3.176) 7.132 3.693 ( 3.242 -0.699 0.917) 3.441 3.804 ( 5.211 2.704 -4.373) 7.321 3.875 ( 8.945 2.555 3.364) 9.893 4.233 ( -2.417 -0.535 6.503) 6.958 4.257 ( -1.796 -0.501 0.626) 1.967 4.510 ( -2.412 -1.710 2.931) 4.163 4.605 ( 0.191 -3.150 -6.312) 7.057 4.875 ( -1.378 0.377 5.423) 5.608 4.924 ( -2.030 -0.682 -5.772) 6.157 4.957 ( 1.726 -0.970 -4.826) 5.217 5.095 ( 2.921 2.584 5.460) 6.710 5.352 ( -7.098 -3.277 -3.336) 8.500 5.434 ( -2.950 -4.665 -0.295) 5.528 5.579 ( -7.437 -0.707 1.640) 7.648 5.615 ( -11.018 -2.215 7.077) 13.281 5.743 ( -3.131 -0.994 0.483) 3.321 5.902 ( -1.842 1.676 1.227) 2.777 6.067 ( -1.380 -2.041 -4.247) 4.910 6.160 ( -1.334 1.084 0.992) 1.985 6.211 ( 1.864 -2.886 2.322) 4.146 6.247 ( 2.506 -1.440 -2.971) 4.145 6.476 ( 0.523 4.811 2.028) 5.247 6.573 ( 2.071 7.426 -3.014) 8.278 6.621 ( -4.829 -0.487 -2.985) 5.698 6.731 ( -6.648 1.514 2.539) 7.275 6.823 ( -3.656 1.667 -0.846) 4.106 6.958 ( -5.011 2.078 1.164) 5.548 6.981 ( 2.404 4.940 -0.862) 5.561 7.091 ( -4.138 2.925 -0.205) 5.072 7.147 ( 1.941 0.286 -0.692) 2.081 7.306 ( -1.261 3.474 -1.830) 4.124 7.516 ( 0.429 -1.472 -2.013) 2.531 7.542 ( -3.620 3.489 5.188) 7.224 7.622 ( -3.655 2.419 8.229) 9.324 7.779 ( -6.794 -0.192 1.627) 6.989 7.823 ( -2.381 2.140 -2.285) 3.933 8.026 ( 2.044 5.505 4.560) 7.434 8.142 ( 10.345 2.090 0.555) 10.569 8.302 ( 1.748 4.928 -4.498) 6.897 8.756 ( 2.696 -4.241 -1.830) 5.348 9.092 ( -5.071 1.079 5.362) 7.459 9.170 ( 12.514 -2.625 -13.358) 18.491 9.330 ( 11.319 1.368 -4.274) 12.176 12.780 ( -2.487 -4.182 3.864) 6.213 12.794 ( -1.629 -5.548 1.070) 5.880 12.940 ( 2.173 0.654 -3.800) 4.426 13.015 ( 3.083 3.362 -1.028) 4.676 13.227 ( -1.841 -2.405 1.212) 3.263 13.358 ( -0.105 1.065 -0.672) 1.264 13.449 ( 1.376 -3.768 -7.007) 8.074 13.478 ( 0.661 2.067 5.917) 6.302 17.742 ( 0.132 0.224 -0.342) 0.430 17.771 ( 1.474 0.161 0.313) 1.516 17.841 ( -4.047 -0.396 1.568) 4.358 18.028 ( 0.075 -2.439 3.652) 4.392 18.725 ( 0.368 0.709 -1.599) 1.788 18.767 ( 1.770 0.710 1.368) 2.347 18.919 ( -1.993 -1.178 1.213) 2.614 18.943 ( -1.316 -0.415 0.670) 1.534 20.702 ( -0.299 -0.085 -0.772) 0.833 20.881 ( 0.545 -2.589 -3.379) 4.292 21.010 ( 0.369 -0.967 1.109) 1.517 21.024 ( 0.813 -1.100 -1.940) 2.374 21.273 ( 4.127 -0.128 -0.703) 4.188 21.385 ( 11.505 -4.260 -1.076) 12.315 21.679 ( -2.970 -0.856 -0.127) 3.093 21.759 ( 0.722 -1.578 0.426) 1.787 23.038 ( -0.092 -3.494 2.617) 4.367 23.093 ( 2.336 -3.924 -3.416) 5.703 23.189 ( -1.692 -0.037 -0.132) 1.698 23.229 ( 0.014 -0.695 0.153) 0.712 29.592 ( -0.769 -1.013 0.488) 1.362 29.613 ( -0.916 -0.923 0.115) 1.305 29.626 ( 0.244 -1.162 -0.478) 1.280 29.650 ( 0.199 -1.256 0.775) 1.489 33.561 ( -2.521 -0.589 1.837) 3.174 33.673 ( -1.107 -2.001 0.683) 2.387 34.381 ( -17.682 -11.856 22.591) 31.041 35.036 ( -0.904 -21.615 -5.398) 22.297 36.665 ( -3.798 0.151 1.139) 3.968 36.754 ( -1.908 -1.055 -0.702) 2.291 37.273 ( 0.086 -11.904 8.809) 14.809 37.603 ( 6.604 -25.569 -4.800) 26.840 39.809 ( -0.195 1.381 0.919) 1.670 39.864 ( 1.879 7.605 -1.949) 8.073 39.949 ( -2.388 2.134 -1.350) 3.475 40.086 ( -0.350 9.478 2.584) 9.830 40.186 ( 3.421 9.772 1.134) 10.415 40.280 ( 4.868 10.235 -0.552) 11.347 41.226 ( -19.206 43.921 -13.124) 49.701 41.506 ( -17.779 42.029 21.511) 50.451 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 14.613 5.555 -3.345) 15.987 1.608 ( 2.442 13.106 25.172) 28.484 1.675 ( 11.263 14.146 2.636) 18.274 1.941 ( -3.185 5.848 -5.093) 8.384 2.031 ( 12.695 16.590 -1.213) 20.926 2.313 ( -7.599 5.215 0.677) 9.242 2.555 ( -17.042 -0.997 3.381) 17.403 2.633 ( -9.469 -0.373 -4.995) 10.712 2.729 ( 2.717 3.300 -0.974) 4.384 2.846 ( 12.718 6.875 2.156) 14.617 2.956 ( 7.513 11.108 -2.099) 13.574 3.335 ( 7.352 2.211 2.219) 7.992 3.336 ( 10.809 0.372 -2.385) 11.075 3.447 ( -1.242 9.983 -7.341) 12.454 3.451 ( 5.603 -0.171 -1.493) 5.800 3.618 ( 10.267 -1.482 -0.722) 10.399 3.707 ( 3.486 3.194 1.163) 4.868 3.795 ( 13.546 5.603 -5.972) 15.829 3.926 ( 5.195 -1.662 -4.382) 6.997 3.990 ( -0.879 -0.693 4.280) 4.424 4.171 ( -3.346 2.139 -0.612) 4.018 4.228 ( 0.715 1.436 2.745) 3.179 4.500 ( 2.454 -0.142 0.937) 2.631 4.593 ( -1.102 -2.367 -8.124) 8.534 4.750 ( -10.262 3.191 -2.515) 11.037 4.850 ( -4.949 -2.602 3.165) 6.425 4.891 ( -7.996 -2.799 -6.207) 10.502 5.040 ( -13.673 1.545 14.759) 20.178 5.219 ( -2.822 -0.249 -0.054) 2.833 5.308 ( -5.600 -0.289 1.464) 5.796 5.458 ( 1.539 -0.274 2.764) 3.175 5.509 ( -1.506 2.572 -2.755) 4.059 5.683 ( -1.500 0.596 -0.047) 1.615 5.843 ( -3.578 1.097 0.442) 3.768 6.058 ( 0.685 -1.683 -3.011) 3.517 6.118 ( -1.808 0.373 2.240) 2.903 6.228 ( 0.515 0.443 1.120) 1.310 6.308 ( 2.412 0.223 -1.222) 2.713 6.439 ( -4.529 1.690 0.616) 4.873 6.531 ( -9.036 4.888 -2.323) 10.533 6.577 ( 1.566 2.702 -0.873) 3.243 6.634 ( 2.804 6.593 -1.188) 7.263 6.760 ( -1.527 2.629 -0.413) 3.068 6.855 ( -3.963 3.930 0.676) 5.622 6.993 ( -4.012 4.118 -0.861) 5.814 7.034 ( -0.413 5.693 1.464) 5.893 7.118 ( -6.763 7.610 0.861) 10.217 7.185 ( -1.363 -2.148 3.856) 4.620 7.475 ( 1.456 -1.958 -1.848) 3.061 7.540 ( -1.241 -3.608 1.901) 4.263 7.697 ( 6.624 5.908 -2.515) 9.225 7.740 ( 1.238 1.395 2.352) 3.001 7.800 ( -0.639 3.611 -0.927) 3.783 8.000 ( -5.300 9.713 6.714) 12.942 8.351 ( 10.113 -5.754 -2.239) 11.849 8.466 ( 10.710 0.509 -8.296) 13.556 8.754 ( -2.950 -5.308 3.442) 6.980 8.957 ( -7.881 -0.858 3.795) 8.789 9.349 ( 7.703 -3.488 -1.702) 8.626 9.516 ( 3.677 -6.136 -5.649) 9.115 12.758 ( -0.126 -6.000 0.747) 6.047 12.769 ( -0.754 -6.438 0.829) 6.535 12.987 ( 2.424 1.561 -3.592) 4.606 13.048 ( 0.045 3.065 1.955) 3.636 13.230 ( 1.588 -2.605 -1.472) 3.388 13.323 ( -2.331 -1.179 -0.116) 2.614 13.475 ( 1.281 -0.521 -5.606) 5.774 13.492 ( 0.016 2.947 5.267) 6.036 17.751 ( 0.584 0.265 -0.198) 0.671 17.780 ( -0.945 0.131 0.642) 1.150 17.829 ( 2.705 0.399 0.127) 2.737 17.986 ( -3.550 -0.920 2.556) 4.471 18.748 ( 1.838 0.447 -2.083) 2.814 18.808 ( 1.643 0.608 1.598) 2.372 18.869 ( -2.575 -0.795 2.904) 3.962 18.906 ( -1.803 0.046 -1.383) 2.273 20.745 ( 3.007 -0.599 2.270) 3.814 20.858 ( -1.694 -1.331 -3.286) 3.930 21.021 ( 0.456 -1.349 1.284) 1.917 21.032 ( 0.221 -1.218 -1.967) 2.324 21.380 ( 5.588 -0.452 -1.129) 5.718 21.601 ( -2.461 -1.669 0.276) 2.986 21.610 ( 6.338 -5.596 -2.276) 8.756 21.761 ( -0.659 -2.765 0.628) 2.911 23.054 ( 1.320 -2.512 1.967) 3.453 23.138 ( 0.734 -2.667 -2.402) 3.664 23.150 ( -0.615 -1.040 -0.921) 1.520 23.218 ( -1.040 -1.391 0.777) 1.903 29.578 ( -0.480 -0.912 0.371) 1.096 29.588 ( -0.991 -0.703 0.379) 1.273 29.637 ( 0.539 -1.064 -0.635) 1.351 29.652 ( -0.151 -1.126 0.780) 1.378 33.521 ( -1.323 -0.516 -0.178) 1.431 33.569 ( -5.841 -0.747 8.426) 10.280 34.316 ( 7.063 -7.239 9.284) 13.729 34.870 ( -12.213 -15.867 -2.959) 20.241 36.628 ( 0.098 0.461 -0.054) 0.475 36.702 ( -2.534 -0.540 0.046) 2.591 37.348 ( 4.973 -10.201 8.972) 14.466 37.617 ( -3.697 -19.106 -6.742) 20.595 39.819 ( 0.954 1.054 1.455) 2.034 39.879 ( -0.699 6.344 -3.927) 7.494 39.930 ( 1.122 6.497 -0.825) 6.644 40.035 ( -3.337 12.970 3.923) 13.955 40.332 ( 8.869 11.332 0.449) 14.397 40.421 ( 8.492 12.249 0.263) 14.907 40.841 ( -15.107 30.435 -3.663) 34.175 41.055 ( -21.598 32.378 5.847) 39.357 ======================= Grid point 129 (58/70) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -1.833 8.612 -17.604) 19.683 1.656 ( 1.833 8.612 17.604) 19.683 1.997 ( -8.683 1.979 -1.207) 8.988 1.997 ( 8.683 1.979 1.207) 8.988 2.108 ( -8.653 5.420 -3.185) 10.695 2.108 ( 8.653 5.420 3.185) 10.695 2.383 ( -5.414 10.808 -1.410) 12.171 2.383 ( 5.414 10.808 1.410) 12.171 2.849 ( 3.681 6.840 -4.809) 9.136 2.849 ( -3.681 6.840 4.809) 9.136 3.283 ( 8.916 3.360 -7.098) 11.882 3.283 ( -8.916 3.360 7.098) 11.882 3.430 ( -0.687 8.731 -6.319) 10.799 3.430 ( 0.687 8.731 6.319) 10.799 3.693 ( 1.693 -3.078 -3.470) 4.938 3.693 ( -1.693 -3.078 3.470) 4.938 3.802 ( -12.048 -1.538 -3.059) 12.525 3.802 ( 12.048 -1.538 3.059) 12.525 3.990 ( -2.951 -1.010 -4.567) 5.530 3.990 ( 2.951 -1.010 4.567) 5.530 4.315 ( -0.386 5.521 -9.280) 10.805 4.315 ( 0.386 5.521 9.280) 10.805 4.462 ( -12.330 0.376 -1.706) 12.453 4.462 ( 12.330 0.376 1.706) 12.453 4.676 ( -0.255 -2.651 -5.559) 6.164 4.676 ( 0.255 -2.651 5.559) 6.164 4.800 ( 2.596 2.095 -3.563) 4.882 4.800 ( -2.596 2.095 3.563) 4.882 5.233 ( -0.719 1.247 -3.129) 3.444 5.233 ( 0.719 1.247 3.129) 3.444 5.496 ( 0.201 2.532 -5.983) 6.500 5.496 ( -0.201 2.532 5.983) 6.500 5.735 ( 2.567 -1.283 -1.572) 3.272 5.735 ( -2.567 -1.283 1.572) 3.272 6.086 ( 1.591 1.028 -3.773) 4.222 6.086 ( -1.591 1.028 3.773) 4.222 6.275 ( -0.148 4.493 -0.384) 4.512 6.275 ( 0.148 4.493 0.384) 4.512 6.409 ( -2.650 0.614 -3.223) 4.217 6.409 ( 2.650 0.614 3.223) 4.217 6.636 ( -0.094 4.110 -1.959) 4.554 6.636 ( 0.094 4.110 1.959) 4.554 6.782 ( 1.997 3.731 -1.738) 4.575 6.782 ( -1.997 3.731 1.738) 4.575 6.945 ( 1.082 5.011 -2.576) 5.737 6.945 ( -1.082 5.011 2.576) 5.737 7.141 ( 2.985 2.448 -2.954) 4.861 7.141 ( -2.985 2.448 2.954) 4.861 7.511 ( 0.803 -4.575 -6.770) 8.210 7.511 ( -0.803 -4.575 6.770) 8.210 7.770 ( -0.748 3.385 -3.285) 4.776 7.770 ( 0.748 3.385 3.285) 4.776 7.863 ( 4.260 9.016 -3.400) 10.535 7.863 ( -4.260 9.016 3.400) 10.535 8.544 ( -0.276 -5.764 -7.621) 9.560 8.544 ( 0.276 -5.764 7.621) 9.560 8.776 ( 0.542 -1.912 -7.792) 8.042 8.776 ( -0.542 -1.912 7.792) 8.042 9.492 ( -3.441 -6.133 -2.326) 7.407 9.492 ( 3.441 -6.133 2.326) 7.407 12.761 ( 0.154 -6.699 -0.372) 6.711 12.761 ( -0.154 -6.699 0.372) 6.711 13.030 ( 1.209 2.300 -5.197) 5.810 13.030 ( -1.209 2.300 5.197) 5.810 13.272 ( 1.124 -2.237 -1.224) 2.786 13.272 ( -1.124 -2.237 1.224) 2.786 13.490 ( 0.668 1.985 -7.820) 8.096 13.490 ( -0.668 1.985 7.820) 8.096 17.764 ( 0.074 0.371 -0.492) 0.620 17.764 ( -0.074 0.371 0.492) 0.620 17.904 ( -1.188 -0.072 -0.037) 1.191 17.904 ( 1.188 -0.072 0.037) 1.191 18.795 ( 2.463 0.183 -2.649) 3.621 18.795 ( -2.463 0.183 2.649) 3.621 18.865 ( -1.532 0.015 -2.111) 2.608 18.865 ( 1.532 0.015 2.111) 2.608 20.809 ( -2.442 -0.846 -3.231) 4.137 20.809 ( 2.442 -0.846 3.231) 4.137 21.030 ( 0.082 -1.371 -3.760) 4.003 21.030 ( -0.082 -1.371 3.760) 4.003 21.499 ( -4.907 -0.773 0.667) 5.012 21.499 ( 4.907 -0.773 -0.667) 5.012 21.724 ( 3.152 -4.710 -1.297) 5.814 21.724 ( -3.152 -4.710 1.297) 5.814 23.095 ( -1.696 -1.442 -2.014) 3.002 23.095 ( 1.696 -1.442 2.014) 3.002 23.187 ( 1.248 -2.222 -2.016) 3.249 23.187 ( -1.248 -2.222 2.016) 3.249 29.575 ( -0.113 -0.757 -0.085) 0.770 29.575 ( 0.113 -0.757 0.085) 0.770 29.646 ( 0.391 -1.058 -0.741) 1.350 29.646 ( -0.391 -1.058 0.741) 1.350 33.509 ( 0.694 -0.340 -4.597) 4.661 33.509 ( -0.694 -0.340 4.597) 4.661 34.569 ( -13.106 -10.624 -4.831) 17.549 34.569 ( 13.106 -10.624 4.831) 17.549 36.653 ( -1.409 -0.004 0.198) 1.423 36.653 ( 1.409 -0.004 -0.198) 1.423 37.486 ( -5.160 -12.358 -11.156) 17.430 37.486 ( 5.160 -12.358 11.156) 17.430 39.848 ( -1.396 2.473 -2.969) 4.108 39.848 ( 1.396 2.473 2.969) 4.108 39.972 ( 1.670 11.539 -3.755) 12.249 39.972 ( -1.670 11.539 3.755) 12.249 40.553 ( -11.188 18.536 -0.744) 21.663 40.553 ( 11.188 18.536 0.744) 21.663 40.666 ( -7.588 20.696 -4.815) 22.563 40.666 ( 7.588 20.696 4.815) 22.563 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -8.381 14.377 -14.359) 21.980 1.478 ( 8.381 14.377 14.359) 21.980 2.019 ( 5.856 15.861 -15.797) 23.139 2.019 ( -5.856 15.861 15.797) 23.139 2.385 ( 6.659 5.269 -8.704) 12.160 2.385 ( -6.659 5.269 8.704) 12.160 2.605 ( -2.983 1.431 -8.037) 8.692 2.605 ( 2.983 1.431 8.037) 8.692 2.889 ( 1.182 3.047 -4.120) 5.259 2.889 ( -1.182 3.047 4.120) 5.259 3.045 ( 6.738 0.725 -4.673) 8.232 3.045 ( -6.738 0.725 4.673) 8.232 3.236 ( -8.886 -6.077 -0.913) 10.804 3.236 ( 8.886 -6.077 0.913) 10.804 3.565 ( -7.557 7.930 -2.663) 11.273 3.565 ( 7.557 7.930 2.663) 11.273 3.761 ( 2.039 10.588 -6.577) 12.630 3.761 ( -2.039 10.588 6.577) 12.630 3.901 ( 0.862 12.540 -10.247) 16.217 3.901 ( -0.862 12.540 10.247) 16.217 4.266 ( 1.953 2.257 -3.439) 4.554 4.266 ( -1.953 2.257 3.439) 4.554 4.540 ( 2.983 0.352 -8.270) 8.799 4.540 ( -2.983 0.352 8.270) 8.799 4.883 ( 0.514 0.324 -5.306) 5.341 4.883 ( -0.514 0.324 5.306) 5.341 5.030 ( -4.011 -0.530 -3.140) 5.122 5.030 ( 4.011 -0.530 3.140) 5.122 5.359 ( 4.975 -2.830 -2.574) 6.276 5.359 ( -4.975 -2.830 2.574) 6.276 5.625 ( 2.139 -5.640 -8.414) 10.352 5.625 ( -2.139 -5.640 8.414) 10.352 5.795 ( -5.156 -2.891 0.433) 5.927 5.795 ( 5.156 -2.891 -0.433) 5.927 6.065 ( -1.732 -1.948 -1.488) 3.002 6.065 ( 1.732 -1.948 1.488) 3.002 6.269 ( 1.262 3.995 -2.094) 4.684 6.269 ( -1.262 3.995 2.094) 4.684 6.611 ( -2.411 1.459 -1.478) 3.182 6.611 ( 2.411 1.459 1.478) 3.182 6.742 ( -2.151 1.629 -2.700) 3.818 6.742 ( 2.151 1.629 2.700) 3.818 7.023 ( -4.565 7.888 -0.904) 9.158 7.023 ( 4.565 7.888 0.904) 9.158 7.070 ( -5.901 1.711 -0.423) 6.158 7.070 ( 5.901 1.711 0.423) 6.158 7.288 ( -3.827 1.258 -0.575) 4.069 7.288 ( 3.827 1.258 0.575) 4.069 7.486 ( -2.470 -1.641 -5.861) 6.569 7.486 ( 2.470 -1.641 5.861) 6.569 7.761 ( 3.293 0.999 -4.187) 5.419 7.761 ( -3.293 0.999 4.187) 5.419 8.005 ( -2.794 1.496 -4.691) 5.661 8.005 ( 2.794 1.496 4.691) 5.661 8.377 ( 9.422 6.068 -7.296) 13.373 8.377 ( -9.422 6.068 7.296) 13.373 8.773 ( 6.265 -0.993 -6.765) 9.274 8.773 ( -6.265 -0.993 6.765) 9.274 9.293 ( 3.519 4.425 -4.540) 7.251 9.293 ( -3.519 4.425 4.540) 7.251 12.715 ( 0.168 -5.099 -2.631) 5.740 12.715 ( -0.168 -5.099 2.631) 5.740 12.938 ( -0.840 -2.489 -2.025) 3.317 12.938 ( 0.840 -2.489 2.025) 3.317 13.274 ( 1.446 -0.239 -3.044) 3.379 13.274 ( -1.446 -0.239 3.044) 3.379 13.476 ( -3.037 1.978 -2.424) 4.360 13.476 ( 3.037 1.978 2.424) 4.360 17.753 ( -0.122 0.152 -0.574) 0.606 17.753 ( 0.122 0.152 0.574) 0.606 17.908 ( -1.026 -2.114 -1.794) 2.956 17.908 ( 1.026 -2.114 1.794) 2.956 18.759 ( -0.837 1.497 -1.281) 2.141 18.759 ( 0.837 1.497 1.281) 2.141 18.920 ( 0.197 -1.575 -2.687) 3.121 18.920 ( -0.197 -1.575 2.687) 3.121 20.753 ( -3.353 -1.588 -1.193) 3.897 20.753 ( 3.353 -1.588 1.193) 3.897 20.993 ( -0.046 -0.811 -1.389) 1.609 20.993 ( 0.046 -0.811 1.389) 1.609 21.228 ( -0.549 -0.028 -0.394) 0.677 21.228 ( 0.549 -0.028 0.394) 0.677 21.703 ( -1.370 -1.503 -0.298) 2.055 21.703 ( 1.370 -1.503 0.298) 2.055 22.994 ( 1.120 -1.457 -1.763) 2.546 22.994 ( -1.120 -1.457 1.763) 2.546 23.200 ( -0.202 -1.367 0.027) 1.382 23.200 ( 0.202 -1.367 -0.027) 1.382 29.581 ( -0.119 -1.414 -0.199) 1.433 29.581 ( 0.119 -1.414 0.199) 1.433 29.607 ( -0.604 -1.686 -0.236) 1.806 29.607 ( 0.604 -1.686 0.236) 1.806 33.600 ( 2.205 -1.429 -1.670) 3.113 33.600 ( -2.205 -1.429 1.670) 3.113 34.359 ( 11.926 -21.284 -22.650) 33.291 34.359 ( -11.926 -21.284 22.650) 33.291 36.731 ( 1.492 -0.730 -1.100) 1.992 36.731 ( -1.492 -0.730 1.100) 1.992 37.071 ( -0.090 -10.649 -8.441) 13.589 37.071 ( 0.090 -10.649 8.441) 13.589 39.930 ( -2.444 5.531 -1.795) 6.308 39.930 ( 2.444 5.531 1.795) 6.308 40.079 ( -5.108 2.920 -0.728) 5.929 40.079 ( 5.108 2.920 0.728) 5.929 40.529 ( -1.231 17.840 -1.456) 17.942 40.529 ( 1.231 17.840 1.456) 17.942 42.421 ( -3.035 29.278 -35.126) 45.828 42.421 ( 3.035 29.278 35.126) 45.828 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 8.154 14.672 -10.230) 19.657 1.796 ( 14.922 14.468 12.635) 24.324 1.943 ( -1.008 14.459 15.602) 21.295 2.076 ( -0.806 9.881 -6.628) 11.926 2.280 ( 0.176 13.423 -3.395) 13.847 2.552 ( 6.307 4.263 -3.173) 8.247 2.601 ( -3.024 -0.912 -0.833) 3.266 2.724 ( 4.406 5.067 7.308) 9.924 2.769 ( -0.864 0.059 2.583) 2.724 2.886 ( -4.845 0.635 -3.878) 6.238 3.006 ( 0.023 0.394 -5.946) 5.959 3.089 ( 7.102 2.984 -4.947) 9.155 3.219 ( 5.924 -2.961 -4.528) 8.023 3.383 ( 6.166 -0.450 -0.072) 6.183 3.443 ( -1.179 7.326 1.041) 7.492 3.717 ( 1.723 4.698 4.633) 6.819 3.807 ( 1.386 14.366 1.900) 14.557 3.837 ( 2.299 -0.019 -8.369) 8.679 3.894 ( 2.183 9.909 8.834) 13.453 3.936 ( 8.066 14.266 -8.537) 18.479 4.237 ( -2.164 5.239 6.249) 8.437 4.311 ( 1.435 4.044 1.004) 4.407 4.479 ( -2.542 -0.827 4.748) 5.449 4.572 ( 0.966 0.780 -9.284) 9.367 4.852 ( -3.468 -2.334 3.271) 5.308 4.911 ( 0.045 -0.748 -5.924) 5.972 4.955 ( 0.182 -0.414 0.032) 0.453 5.115 ( 1.114 -2.023 2.769) 3.606 5.203 ( -8.843 -6.353 4.611) 11.825 5.398 ( -0.698 1.110 -4.295) 4.491 5.495 ( -7.415 -5.449 8.181) 12.313 5.636 ( -2.438 0.812 -4.250) 4.967 5.711 ( -0.791 -1.953 -0.229) 2.120 5.921 ( 5.046 -3.054 -2.271) 6.320 5.971 ( -5.033 -0.932 0.503) 5.143 6.113 ( 1.042 -2.852 -2.411) 3.878 6.225 ( -2.421 2.889 2.193) 4.361 6.301 ( 2.036 3.697 -0.987) 4.335 6.552 ( -2.385 1.379 0.070) 2.756 6.641 ( -1.639 1.051 0.822) 2.113 6.704 ( -0.283 1.916 1.736) 2.601 6.773 ( -0.408 2.877 -1.675) 3.354 6.904 ( -4.976 5.424 -2.387) 7.738 6.977 ( -2.875 2.550 0.161) 3.846 7.080 ( -0.017 3.861 0.222) 3.867 7.182 ( -1.709 5.821 0.798) 6.119 7.204 ( 4.618 6.213 -0.596) 7.764 7.341 ( -1.718 -0.524 -2.508) 3.085 7.474 ( 3.060 -2.050 1.183) 3.868 7.566 ( 1.028 0.003 0.884) 1.356 7.715 ( -1.295 5.151 5.857) 7.907 7.787 ( -6.456 0.493 2.411) 6.909 7.863 ( 3.284 1.525 -4.296) 5.618 8.176 ( 2.848 2.616 5.055) 6.365 8.191 ( -0.170 7.326 2.635) 7.787 8.451 ( -1.378 8.317 1.894) 8.641 8.639 ( -2.357 -6.014 -6.423) 9.109 9.015 ( 7.324 -6.466 -4.200) 10.635 9.201 ( -3.123 4.112 0.488) 5.187 9.363 ( 2.855 1.268 -2.976) 4.315 12.663 ( -2.463 -4.908 1.786) 5.775 12.706 ( -1.867 -3.711 0.627) 4.202 12.926 ( 2.388 -2.343 -3.952) 5.178 13.035 ( 4.312 -2.647 -2.766) 5.766 13.194 ( -2.811 0.476 2.156) 3.574 13.367 ( 3.428 -1.065 -1.263) 3.806 13.397 ( -3.307 0.497 -0.852) 3.451 13.529 ( 1.335 2.024 4.099) 4.762 17.746 ( 0.049 0.138 0.481) 0.503 17.773 ( 1.162 0.050 -0.083) 1.166 17.835 ( -2.126 -0.150 0.894) 2.311 17.971 ( 1.246 -2.721 0.783) 3.094 18.748 ( 0.148 1.484 -1.297) 1.976 18.787 ( 1.530 1.202 1.207) 2.290 18.893 ( -1.665 -1.203 1.522) 2.557 18.923 ( -0.495 -1.326 -0.396) 1.470 20.701 ( -0.308 -0.012 -0.610) 0.683 20.816 ( 1.511 -3.124 -1.077) 3.634 20.987 ( -0.158 -1.126 -0.422) 1.212 21.000 ( 0.213 -1.163 0.292) 1.218 21.270 ( 3.824 -0.120 -0.319) 3.839 21.316 ( 7.002 -2.089 0.515) 7.325 21.657 ( -2.860 -1.156 -0.128) 3.087 21.717 ( -0.203 -2.248 0.301) 2.277 22.985 ( 0.398 -1.356 0.886) 1.668 23.030 ( 2.185 -1.811 -1.946) 3.441 23.174 ( -1.767 -1.277 0.137) 2.185 23.204 ( -0.420 -1.577 -0.073) 1.634 29.567 ( -0.603 -1.249 0.125) 1.393 29.589 ( -0.798 -1.258 0.077) 1.492 29.596 ( 0.511 -1.612 -0.254) 1.710 29.618 ( 0.301 -1.744 0.386) 1.812 33.547 ( -2.224 -0.641 1.064) 2.547 33.621 ( -1.626 -2.766 2.000) 3.781 34.124 ( -7.527 -11.868 18.213) 23.005 34.523 ( 3.126 -24.470 -15.385) 29.073 36.673 ( -2.528 0.607 1.022) 2.793 36.734 ( -1.476 -0.727 -0.565) 1.740 37.041 ( 2.045 -9.480 0.960) 9.745 37.199 ( 5.443 -13.844 -1.391) 14.940 39.863 ( -1.187 3.650 0.608) 3.886 39.996 ( -1.888 2.342 -0.783) 3.109 40.066 ( 6.617 10.196 -0.604) 12.170 40.235 ( 7.611 6.440 0.030) 9.970 40.499 ( -0.150 17.527 -0.208) 17.529 40.566 ( 2.904 15.781 1.221) 16.092 42.082 ( -22.117 33.615 -23.224) 46.460 42.251 ( -20.970 27.400 26.938) 43.774 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 12.265 11.536 -1.590) 16.912 1.902 ( -0.341 14.176 17.093) 22.209 2.012 ( 0.583 13.384 -9.824) 16.612 2.105 ( 5.154 11.371 2.325) 12.699 2.350 ( -2.917 8.347 -1.755) 9.015 2.403 ( -7.528 8.002 8.089) 13.643 2.596 ( -3.642 3.496 -0.247) 5.055 2.672 ( 2.039 4.293 -5.502) 7.270 2.806 ( 2.982 3.700 -2.909) 5.571 3.012 ( 8.895 6.472 -1.406) 11.090 3.162 ( 7.363 6.750 -10.145) 14.237 3.302 ( 14.770 -3.397 -1.697) 15.250 3.337 ( 6.882 -1.634 -1.236) 7.181 3.485 ( 2.507 4.038 7.485) 8.866 3.558 ( 9.876 -2.448 -0.405) 10.183 3.715 ( -2.655 5.446 -0.172) 6.061 3.762 ( -1.746 9.371 1.170) 9.604 3.855 ( 0.758 -1.630 -2.881) 3.396 3.982 ( -0.797 2.162 6.318) 6.725 4.062 ( 0.978 10.925 -3.967) 11.664 4.253 ( 4.115 5.589 7.093) 9.924 4.308 ( 1.825 8.046 -0.052) 8.251 4.472 ( 2.437 -1.561 -1.970) 3.501 4.588 ( 0.376 0.286 -7.640) 7.654 4.735 ( -7.582 -5.470 0.391) 9.358 4.827 ( -6.727 -2.467 -2.472) 7.580 4.864 ( -9.002 5.416 -4.299) 11.352 5.024 ( -9.455 -5.148 10.651) 15.144 5.168 ( 5.029 -1.980 3.856) 6.639 5.337 ( -3.329 1.502 -3.702) 5.200 5.430 ( 1.557 -0.510 3.412) 3.785 5.585 ( -1.645 2.579 -3.840) 4.910 5.694 ( -0.782 0.415 0.216) 0.912 5.839 ( -7.071 -1.702 1.813) 7.495 6.016 ( 4.384 -0.857 -3.027) 5.396 6.172 ( 5.076 -3.723 -3.151) 7.039 6.178 ( -1.606 3.622 1.971) 4.426 6.349 ( 2.053 2.672 -1.715) 3.781 6.472 ( -4.448 0.300 0.158) 4.461 6.562 ( -8.506 -0.185 2.091) 8.762 6.671 ( 0.887 4.103 3.087) 5.211 6.778 ( -0.390 3.544 -0.847) 3.665 6.827 ( -1.549 3.673 -1.937) 4.432 6.912 ( -3.116 2.049 -1.525) 4.029 7.067 ( -0.586 5.321 3.113) 6.193 7.160 ( -4.504 4.727 1.313) 6.660 7.245 ( 1.182 11.860 0.003) 11.918 7.304 ( -0.127 3.683 1.044) 3.830 7.453 ( -1.788 0.558 1.586) 2.454 7.525 ( -2.220 2.397 -2.077) 3.872 7.777 ( 4.017 2.586 1.329) 4.959 7.830 ( 6.839 4.796 -1.535) 8.493 7.911 ( 2.208 6.365 -1.362) 6.874 8.180 ( 0.302 4.968 5.133) 7.149 8.261 ( 0.150 0.451 2.066) 2.120 8.481 ( 3.062 0.333 -6.548) 7.236 8.575 ( -0.232 -8.390 -3.869) 9.242 8.963 ( -8.788 -0.168 8.895) 12.505 9.248 ( 5.125 -4.590 -4.061) 7.989 9.398 ( 0.013 -4.577 -2.662) 5.295 12.633 ( -0.394 -4.403 1.105) 4.557 12.669 ( -1.428 -3.318 -1.045) 3.760 12.991 ( 3.546 -1.680 -4.469) 5.947 13.086 ( 0.032 -0.472 1.857) 1.917 13.177 ( 1.426 -1.466 -1.775) 2.708 13.304 ( -4.042 -0.055 1.539) 4.325 13.449 ( 3.355 -1.772 -2.924) 4.790 13.539 ( -0.828 1.022 4.782) 4.960 17.756 ( 0.705 0.264 0.763) 1.072 17.784 ( -0.259 0.328 -0.441) 0.608 17.837 ( 2.127 0.194 -0.289) 2.155 17.959 ( -2.159 -1.586 1.365) 3.007 18.763 ( 1.398 1.108 -1.744) 2.495 18.824 ( 1.529 0.819 1.504) 2.296 18.853 ( -2.091 -0.621 2.253) 3.136 18.901 ( -1.382 -0.599 -1.182) 1.915 20.732 ( 2.534 -0.527 1.153) 2.834 20.821 ( -0.653 -2.026 -1.941) 2.881 20.986 ( 0.201 -1.787 -0.676) 1.921 21.000 ( -0.213 -1.675 0.434) 1.743 21.370 ( 5.153 -0.471 -0.629) 5.213 21.484 ( 7.489 -4.695 0.211) 8.842 21.581 ( -4.130 -1.032 0.152) 4.259 21.693 ( -2.185 -3.440 0.265) 4.084 23.012 ( 1.923 -1.334 0.594) 2.415 23.079 ( 2.344 -2.123 -1.654) 3.569 23.127 ( -2.309 -1.280 -0.073) 2.641 23.182 ( -1.579 -1.871 0.337) 2.471 29.557 ( -0.271 -1.007 0.028) 1.043 29.570 ( -0.821 -0.980 0.239) 1.301 29.608 ( 0.545 -1.563 -0.385) 1.700 29.621 ( -0.043 -1.690 0.464) 1.753 33.510 ( -1.225 -0.490 -0.720) 1.503 33.545 ( -4.128 -1.520 6.651) 7.975 34.129 ( 5.104 -9.852 8.296) 13.854 34.469 ( -5.843 -20.353 -9.404) 23.170 36.643 ( -0.226 1.040 0.278) 1.100 36.693 ( -1.939 -0.207 -0.082) 1.951 37.123 ( 4.568 -10.276 1.685) 11.371 37.262 ( 0.312 -14.205 -1.973) 14.345 39.875 ( 1.939 4.164 1.146) 4.734 39.972 ( -0.891 3.997 -1.424) 4.335 40.174 ( 3.008 13.409 -1.116) 13.787 40.296 ( -2.126 12.064 0.516) 12.261 40.643 ( 13.861 16.780 1.271) 21.802 40.727 ( 13.186 15.460 0.062) 20.319 41.535 ( -24.833 31.320 -10.948) 41.442 41.702 ( -28.869 26.774 13.101) 41.496 ======================= Grid point 137 (62/70) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 2.768 12.478 -7.542) 14.840 1.887 ( -2.768 12.478 7.542) 14.840 2.098 ( 0.371 7.187 -4.540) 8.509 2.098 ( -0.371 7.187 4.540) 8.509 2.274 ( -4.364 10.338 1.132) 11.278 2.274 ( 4.364 10.338 -1.132) 11.278 2.628 ( -2.122 11.704 -2.699) 12.197 2.628 ( 2.122 11.704 2.699) 12.197 2.974 ( 6.109 3.955 -3.791) 8.206 2.974 ( -6.109 3.955 3.791) 8.206 3.355 ( 7.163 2.220 -10.788) 13.139 3.355 ( -7.163 2.220 10.788) 13.139 3.566 ( -7.208 0.481 -4.808) 8.677 3.566 ( 7.208 0.481 4.808) 8.677 3.672 ( 8.135 3.173 -6.879) 11.116 3.672 ( -8.135 3.173 6.879) 11.116 3.771 ( -4.487 -0.410 -5.325) 6.976 3.771 ( 4.487 -0.410 5.325) 6.976 3.985 ( 2.387 1.093 -5.779) 6.348 3.985 ( -2.387 1.093 5.779) 6.348 4.430 ( -8.738 3.076 -5.586) 10.817 4.430 ( 8.738 3.076 5.586) 10.817 4.472 ( -6.322 0.871 -4.314) 7.703 4.472 ( 6.322 0.871 4.314) 7.703 4.648 ( -0.985 2.051 -8.008) 8.325 4.648 ( 0.985 2.051 8.008) 8.325 4.844 ( 2.528 1.482 -4.738) 5.571 4.844 ( -2.528 1.482 4.738) 5.571 5.265 ( -3.079 1.479 -5.018) 6.070 5.265 ( 3.079 1.479 5.018) 6.070 5.524 ( -3.945 -1.031 -3.774) 5.556 5.524 ( 3.945 -1.031 3.774) 5.556 5.712 ( 2.831 0.408 -1.084) 3.058 5.712 ( -2.831 0.408 1.084) 3.058 6.109 ( 4.141 -0.151 -3.735) 5.579 6.109 ( -4.141 -0.151 3.735) 5.579 6.341 ( 7.740 -0.442 -3.510) 8.510 6.341 ( -7.740 -0.442 3.510) 8.510 6.402 ( -0.194 1.717 -1.791) 2.489 6.402 ( 0.194 1.717 1.791) 2.489 6.721 ( -2.838 3.457 -1.538) 4.730 6.721 ( 2.838 3.457 1.538) 4.730 6.847 ( -2.480 1.823 0.162) 3.082 6.847 ( 2.480 1.823 -0.162) 3.082 7.074 ( -1.701 8.417 -0.593) 8.607 7.074 ( 1.701 8.417 0.593) 8.607 7.292 ( -1.133 8.408 -2.530) 8.853 7.292 ( 1.133 8.408 2.530) 8.853 7.468 ( -0.947 1.460 -5.838) 6.092 7.468 ( 0.947 1.460 5.838) 6.092 7.850 ( -1.435 4.065 -4.739) 6.407 7.850 ( 1.435 4.065 4.739) 6.407 8.066 ( 3.381 9.514 -2.969) 10.525 8.066 ( -3.381 9.514 2.970) 10.525 8.369 ( -6.992 -9.155 -0.779) 11.546 8.369 ( 6.992 -9.155 0.779) 11.546 8.750 ( 7.664 -0.464 -10.002) 12.610 8.750 ( -7.664 -0.464 10.002) 12.610 9.350 ( -3.977 -6.457 -0.162) 7.585 9.350 ( 3.977 -6.457 0.162) 7.585 12.642 ( -0.717 -3.844 -1.609) 4.228 12.642 ( 0.717 -3.844 1.609) 4.228 13.056 ( 2.112 -0.514 -5.237) 5.670 13.056 ( -2.112 -0.514 5.237) 5.670 13.228 ( 2.575 -1.360 -2.625) 3.920 13.228 ( -2.575 -1.360 2.625) 3.921 13.508 ( 1.604 -0.507 -6.351) 6.570 13.508 ( -1.604 -0.507 6.351) 6.570 17.773 ( -0.634 0.471 -0.826) 1.143 17.773 ( 0.634 0.471 0.826) 1.143 17.898 ( -0.875 -0.509 0.166) 1.026 17.898 ( 0.875 -0.509 -0.166) 1.026 18.802 ( 2.072 0.475 -2.392) 3.200 18.802 ( -2.072 0.475 2.392) 3.200 18.866 ( -1.411 -0.018 -1.810) 2.294 18.866 ( 1.411 -0.018 1.810) 2.294 20.788 ( -2.028 -1.056 -2.130) 3.125 20.788 ( 2.028 -1.056 2.130) 3.125 20.993 ( 0.225 -2.021 -2.446) 3.181 20.993 ( -0.225 -2.021 2.446) 3.181 21.481 ( -4.510 -0.840 0.232) 4.593 21.481 ( 4.510 -0.840 -0.232) 4.593 21.619 ( -4.651 -4.700 0.038) 6.612 21.619 ( 4.651 -4.700 -0.038) 6.612 23.064 ( -1.568 -1.323 -1.843) 2.758 23.064 ( 1.568 -1.323 1.843) 2.758 23.139 ( 0.108 -2.094 -1.185) 2.409 23.139 ( -0.108 -2.094 1.185) 2.409 29.557 ( 0.303 -0.868 -0.141) 0.930 29.557 ( -0.303 -0.868 0.141) 0.930 29.617 ( 0.345 -1.613 -0.458) 1.711 29.617 ( -0.345 -1.613 0.458) 1.711 33.499 ( 0.628 -0.573 -4.720) 4.796 33.499 ( -0.628 -0.573 4.720) 4.796 34.295 ( -7.736 -14.326 -7.509) 17.929 34.295 ( 7.736 -14.326 7.509) 17.929 36.657 ( -1.199 0.492 0.024) 1.296 36.657 ( 1.199 0.492 -0.024) 1.296 37.218 ( -1.065 -12.152 -7.919) 14.544 37.218 ( 1.065 -12.152 7.919) 14.544 39.932 ( -2.270 5.259 -2.060) 6.087 39.932 ( 2.270 5.259 2.060) 6.087 40.230 ( 0.294 12.363 -2.355) 12.589 40.230 ( -0.294 12.363 2.355) 12.589 41.029 ( -20.190 23.668 -4.678) 31.459 41.029 ( 20.190 23.668 4.678) 31.459 41.130 ( -12.000 21.585 -3.540) 24.948 41.130 ( 12.000 21.585 3.540) 24.948 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -6.084 13.771 -9.060) 17.571 1.780 ( 6.084 13.771 9.060) 17.571 2.272 ( 1.715 8.983 -4.866) 10.359 2.272 ( -1.715 8.983 4.866) 10.359 2.452 ( 1.540 2.219 -5.405) 6.042 2.452 ( -1.540 2.219 5.405) 6.042 2.596 ( 1.738 -1.792 -11.102) 11.379 2.596 ( -1.738 -1.792 11.102) 11.379 2.841 ( 7.820 -3.784 -8.771) 12.345 2.841 ( -7.820 -3.784 8.771) 12.345 2.961 ( -3.251 -8.731 -2.554) 9.661 2.961 ( 3.251 -8.731 2.554) 9.661 3.170 ( 3.984 -1.512 -10.048) 10.914 3.170 ( -3.984 -1.512 10.048) 10.914 3.764 ( -6.067 8.358 -2.432) 10.611 3.764 ( 6.067 8.358 2.432) 10.611 3.868 ( -1.629 4.380 -2.183) 5.157 3.868 ( 1.629 4.380 2.183) 5.157 4.157 ( -0.141 5.139 -7.614) 9.187 4.157 ( 0.141 5.139 7.614) 9.187 4.379 ( 0.009 3.702 -2.798) 4.641 4.379 ( -0.009 3.702 2.798) 4.641 4.637 ( 4.092 9.113 -8.413) 13.060 4.637 ( -4.092 9.113 8.413) 13.060 4.891 ( 2.722 -1.756 -6.196) 6.992 4.891 ( -2.722 -1.756 6.196) 6.992 5.024 ( 1.277 4.698 -4.286) 6.487 5.024 ( -1.277 4.698 4.286) 6.487 5.372 ( -5.399 2.281 -1.620) 6.081 5.372 ( 5.399 2.281 1.620) 6.081 5.500 ( 2.837 -2.766 -5.392) 6.692 5.500 ( -2.837 -2.766 5.392) 6.692 5.746 ( -2.661 -1.869 -1.032) 3.412 5.746 ( 2.661 -1.869 1.032) 3.412 6.083 ( -0.151 2.655 -1.315) 2.966 6.083 ( 0.151 2.655 1.315) 2.966 6.323 ( -1.694 1.224 -1.006) 2.319 6.323 ( 1.694 1.224 1.006) 2.319 6.582 ( 1.586 -3.165 -3.617) 5.062 6.582 ( -1.586 -3.165 3.617) 5.062 6.779 ( 1.778 1.436 -3.279) 3.997 6.779 ( -1.778 1.436 3.279) 3.997 7.127 ( -6.533 3.561 -3.750) 8.332 7.127 ( 6.533 3.561 3.750) 8.332 7.169 ( -3.158 3.533 -1.672) 5.025 7.169 ( 3.158 3.533 1.672) 5.025 7.328 ( 1.033 2.962 -2.320) 3.902 7.328 ( -1.033 2.962 2.320) 3.902 7.449 ( -2.322 -0.815 -4.804) 5.398 7.449 ( 2.322 -0.815 4.804) 5.398 7.800 ( -0.339 0.912 -3.718) 3.843 7.800 ( 0.339 0.912 3.718) 3.843 8.008 ( -0.331 -0.045 -6.699) 6.707 8.008 ( 0.331 -0.045 6.699) 6.707 8.443 ( 5.055 -0.138 -8.462) 9.858 8.443 ( -5.055 -0.138 8.462) 9.858 8.787 ( 2.625 2.920 -9.084) 9.896 8.787 ( -2.625 2.920 9.084) 9.896 9.361 ( 1.258 2.087 -2.740) 3.667 9.361 ( -1.258 2.087 2.740) 3.667 12.638 ( 0.088 -1.926 -2.497) 3.154 12.638 ( -0.088 -1.926 2.497) 3.154 12.846 ( 0.106 -5.502 -0.739) 5.553 12.846 ( -0.106 -5.502 0.739) 5.553 13.304 ( 2.723 2.393 -1.735) 4.019 13.304 ( -2.723 2.393 1.735) 4.019 13.507 ( -2.918 0.772 -1.056) 3.198 13.507 ( 2.918 0.772 1.056) 3.198 17.754 ( 0.418 0.021 -0.945) 1.034 17.754 ( -0.418 0.021 0.945) 1.034 17.873 ( 0.184 -1.245 -1.392) 1.877 17.873 ( -0.184 -1.245 1.392) 1.877 18.793 ( -0.605 1.703 -1.011) 2.070 18.793 ( 0.605 1.703 1.011) 2.070 18.888 ( 0.335 -1.396 -1.819) 2.317 18.888 ( -0.335 -1.396 1.819) 2.317 20.729 ( -1.486 -0.746 -0.867) 1.875 20.729 ( 1.486 -0.746 0.867) 1.875 20.976 ( -0.095 -0.695 -0.839) 1.094 20.976 ( 0.095 -0.695 0.839) 1.094 21.229 ( -0.220 0.038 -0.186) 0.291 21.229 ( 0.220 0.038 0.186) 0.291 21.673 ( -0.819 -1.262 -0.206) 1.519 21.673 ( 0.819 -1.262 0.206) 1.519 22.987 ( 0.405 0.515 -1.776) 1.893 22.987 ( -0.405 0.515 1.776) 1.893 23.166 ( 0.327 -1.773 -0.386) 1.844 23.166 ( -0.327 -1.773 0.386) 1.844 29.555 ( -0.233 -0.972 -0.058) 1.001 29.555 ( 0.233 -0.972 0.058) 1.001 29.574 ( -0.396 -1.378 -0.201) 1.447 29.574 ( 0.396 -1.378 0.201) 1.447 33.573 ( 0.770 -1.016 -0.531) 1.381 33.573 ( -0.770 -1.016 0.531) 1.381 33.993 ( 5.946 -13.662 -15.134) 21.238 33.993 ( -5.946 -13.662 15.134) 21.238 36.726 ( 0.724 0.287 -1.185) 1.418 36.726 ( -0.724 0.287 1.185) 1.418 36.902 ( -0.825 -6.084 -4.646) 7.700 36.902 ( 0.825 -6.084 4.646) 7.700 40.040 ( -5.597 4.742 -1.285) 7.448 40.040 ( 5.597 4.742 1.285) 7.448 40.133 ( -6.756 1.950 -0.697) 7.067 40.133 ( 6.756 1.950 0.697) 7.067 40.886 ( -0.623 15.060 -2.568) 15.290 40.886 ( 0.623 15.060 2.568) 15.290 42.849 ( -0.693 13.173 -22.376) 25.975 42.849 ( 0.693 13.173 22.376) 25.975 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 7.308 15.701 -6.473) 18.489 2.059 ( 16.618 10.486 7.268) 20.951 2.181 ( -3.144 8.957 6.991) 11.789 2.277 ( -1.565 10.088 2.384) 10.483 2.487 ( 4.286 4.822 -6.968) 9.496 2.530 ( 1.133 -1.022 -2.632) 3.042 2.610 ( 0.819 -0.067 -6.178) 6.232 2.702 ( 3.449 -2.768 4.903) 6.603 2.815 ( -3.363 -2.263 -3.384) 5.281 2.829 ( 11.241 0.381 0.340) 11.252 3.006 ( 2.914 -4.179 2.241) 5.565 3.073 ( 10.411 -4.973 -7.206) 13.603 3.154 ( 3.364 -0.501 0.029) 3.402 3.311 ( 5.665 -4.660 -2.865) 7.875 3.650 ( -4.133 6.721 2.296) 8.217 3.821 ( -2.032 1.691 -0.002) 2.644 3.909 ( 1.597 9.172 0.226) 9.313 3.931 ( 7.493 6.533 2.254) 10.194 4.083 ( -1.493 0.153 0.127) 1.506 4.155 ( -3.205 6.898 0.991) 7.671 4.359 ( -1.045 1.042 0.742) 1.652 4.469 ( 4.027 2.049 0.048) 4.519 4.551 ( -3.602 12.024 10.556) 16.401 4.699 ( 0.612 4.326 -8.040) 9.150 4.787 ( -7.588 2.210 7.108) 10.629 4.843 ( -6.779 -5.523 -0.648) 8.768 4.912 ( -1.342 0.749 -1.513) 2.157 5.116 ( 2.283 2.554 -2.137) 4.037 5.209 ( -7.457 5.929 -2.857) 9.946 5.412 ( -4.561 -1.022 4.392) 6.414 5.446 ( 0.958 2.828 -0.718) 3.071 5.564 ( 2.046 -5.252 -5.630) 7.966 5.703 ( -0.555 0.796 0.676) 1.182 5.817 ( 2.448 -3.914 1.060) 4.737 6.029 ( -3.366 1.942 -1.109) 4.041 6.104 ( 0.747 2.099 -1.242) 2.551 6.274 ( -1.453 1.889 -0.394) 2.416 6.365 ( 1.632 2.525 0.713) 3.090 6.520 ( -3.866 -3.960 3.608) 6.607 6.617 ( 0.403 -2.389 -0.767) 2.541 6.742 ( -1.533 2.490 3.036) 4.215 6.809 ( 0.958 0.716 -3.755) 3.941 6.972 ( -5.315 2.120 -3.662) 6.793 7.039 ( -6.131 0.750 -2.808) 6.785 7.217 ( 1.194 7.343 1.849) 7.666 7.283 ( 2.000 2.831 4.507) 5.685 7.321 ( -1.371 1.019 -2.372) 2.923 7.359 ( 4.423 5.273 0.189) 6.884 7.450 ( 4.711 1.586 0.226) 4.976 7.561 ( 3.356 -0.521 0.303) 3.410 7.752 ( -2.821 -2.028 3.223) 4.740 7.816 ( 2.354 2.519 1.413) 3.725 7.935 ( 1.329 5.163 -1.166) 5.457 8.172 ( 6.766 -2.265 0.425) 7.148 8.331 ( -4.493 4.151 4.738) 7.738 8.487 ( -1.054 -4.528 -6.752) 8.198 8.658 ( -5.197 7.632 3.786) 9.979 8.915 ( 4.813 -2.437 -2.712) 6.037 9.273 ( -5.066 2.692 1.135) 5.848 9.381 ( -0.704 0.414 -2.202) 2.349 12.602 ( -1.225 -0.750 0.463) 1.509 12.656 ( 0.006 -0.698 -1.133) 1.330 12.843 ( 2.243 -5.192 -3.154) 6.475 12.924 ( 4.382 -6.660 -4.326) 9.070 13.241 ( -2.903 3.134 3.491) 5.517 13.356 ( 1.791 -0.023 0.570) 1.879 13.427 ( -3.986 1.870 0.747) 4.465 13.546 ( 0.393 -0.434 3.066) 3.121 17.750 ( 0.172 0.290 1.169) 1.217 17.772 ( 1.170 -0.117 -0.681) 1.358 17.835 ( -0.975 0.148 -0.052) 0.987 17.918 ( 1.399 -2.312 -0.457) 2.741 18.785 ( 0.011 1.903 -0.966) 2.134 18.813 ( 1.012 1.142 0.992) 1.820 18.871 ( -1.075 -0.891 1.536) 2.076 18.893 ( -0.060 -1.450 -0.826) 1.670 20.703 ( -0.126 0.293 -0.359) 0.480 20.763 ( 1.219 -1.936 -0.045) 2.288 20.967 ( -0.557 -0.732 -0.443) 1.021 20.977 ( -0.227 -0.971 0.422) 1.083 21.269 ( 3.598 0.049 -0.054) 3.598 21.289 ( 4.901 -0.774 0.190) 4.965 21.636 ( -2.565 -0.760 -0.087) 2.677 21.672 ( -1.012 -1.919 0.168) 2.176 22.980 ( 0.301 0.653 0.386) 0.816 23.013 ( 1.581 -0.066 -0.899) 1.820 23.144 ( -1.543 -1.445 0.306) 2.137 23.167 ( -0.511 -1.868 -0.251) 1.952 29.545 ( -0.357 -0.727 0.021) 0.810 29.563 ( -0.389 -1.168 0.050) 1.232 29.567 ( 0.373 -1.053 -0.263) 1.147 29.582 ( 0.268 -1.553 0.269) 1.599 33.538 ( -1.792 -0.209 0.120) 1.808 33.568 ( -2.003 -2.128 2.193) 3.654 33.908 ( -1.972 -8.439 11.194) 14.157 34.085 ( 3.051 -16.843 -12.407) 21.140 36.692 ( -1.423 1.231 0.949) 2.108 36.730 ( -1.076 0.545 -0.655) 1.373 36.882 ( 1.500 -6.026 -0.945) 6.281 36.977 ( 3.141 -8.185 0.374) 8.774 39.945 ( -1.312 3.892 0.246) 4.114 40.038 ( -1.419 1.399 -0.493) 2.053 40.257 ( 11.408 7.735 -0.010) 13.783 40.355 ( 12.108 4.563 -0.104) 12.940 40.848 ( -1.495 14.718 -1.629) 14.883 40.884 ( 0.104 13.439 2.175) 13.614 42.595 ( -19.275 16.507 -17.663) 30.919 42.663 ( -19.279 13.036 18.805) 29.921 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 9.476 14.603 0.283) 17.411 2.161 ( 0.565 10.439 7.547) 12.894 2.250 ( 0.243 12.184 -6.792) 13.951 2.366 ( 3.281 9.133 -2.491) 10.019 2.422 ( -2.580 4.376 1.501) 5.297 2.599 ( -2.436 6.609 4.281) 8.243 2.677 ( 9.513 1.433 -4.364) 10.564 2.718 ( 5.053 0.683 -0.975) 5.192 2.906 ( 2.716 5.191 0.656) 5.895 3.043 ( 10.934 -1.880 -5.398) 12.338 3.219 ( 8.360 -2.299 -2.094) 8.920 3.265 ( 7.242 -0.569 -2.866) 7.809 3.317 ( 15.143 3.112 -2.466) 15.655 3.412 ( 5.948 -7.544 -1.575) 9.735 3.588 ( -0.566 2.384 4.853) 5.436 3.777 ( -2.436 0.092 1.540) 2.884 3.853 ( -7.146 5.168 -0.191) 8.821 4.015 ( -5.723 5.750 -1.986) 8.352 4.065 ( 0.356 7.445 1.524) 7.607 4.133 ( -0.628 1.133 6.339) 6.470 4.342 ( 1.680 -2.456 2.346) 3.789 4.414 ( -6.172 -8.359 0.594) 10.408 4.551 ( -1.855 7.252 7.041) 10.277 4.601 ( -5.023 7.473 -5.438) 10.519 4.634 ( -1.087 -0.387 1.879) 2.205 4.809 ( 0.201 -0.896 -0.718) 1.166 4.879 ( -1.760 -5.378 2.210) 6.075 5.037 ( -8.517 11.094 -10.958) 17.768 5.164 ( 3.255 0.505 2.692) 4.254 5.333 ( -2.632 -0.688 2.727) 3.852 5.460 ( 0.583 1.949 -1.369) 2.452 5.548 ( -2.746 -5.637 -3.313) 7.091 5.712 ( 0.835 1.319 2.491) 2.940 5.811 ( -3.190 -0.853 0.548) 3.347 5.990 ( 1.154 -1.800 -1.955) 2.897 6.104 ( -1.307 -1.357 0.313) 1.910 6.281 ( 2.403 4.371 -2.053) 5.393 6.403 ( 1.607 3.147 0.368) 3.553 6.433 ( -3.780 -2.818 3.330) 5.772 6.569 ( -4.454 1.130 1.150) 4.737 6.736 ( 0.850 2.214 2.896) 3.743 6.814 ( 0.137 1.189 -3.793) 3.978 6.879 ( -3.522 1.342 -4.281) 5.704 6.917 ( -4.515 -1.473 0.333) 4.761 7.237 ( 0.519 8.426 2.476) 8.798 7.289 ( -1.474 5.885 1.109) 6.167 7.329 ( 2.468 0.926 3.434) 4.329 7.409 ( -0.250 1.924 -3.457) 3.964 7.522 ( 1.454 6.078 1.666) 6.468 7.583 ( 1.126 2.173 -1.243) 2.745 7.812 ( 5.848 -0.042 -2.586) 6.394 7.882 ( 2.385 1.333 2.257) 3.544 8.032 ( 7.220 4.702 -0.582) 8.635 8.236 ( -0.353 1.676 0.913) 1.941 8.296 ( -1.751 -0.750 0.484) 1.966 8.405 ( -4.565 -1.495 0.251) 4.810 8.613 ( 2.627 7.273 -2.082) 8.008 8.935 ( -4.435 -1.560 5.002) 6.865 9.195 ( -0.453 -0.789 -0.715) 1.157 9.332 ( -3.343 -1.875 -3.073) 4.913 12.594 ( 0.438 0.695 0.504) 0.964 12.644 ( -0.855 1.124 -2.420) 2.802 12.912 ( 3.970 -5.573 -3.649) 7.755 12.997 ( 2.094 -6.601 -3.072) 7.575 13.202 ( -0.515 2.697 2.207) 3.523 13.320 ( -4.376 0.979 2.300) 5.040 13.415 ( 2.324 -1.074 -0.269) 2.574 13.530 ( -2.072 -1.702 3.855) 4.696 17.764 ( 0.901 0.576 1.259) 1.652 17.793 ( 0.371 0.417 -1.044) 1.184 17.836 ( 1.352 -0.156 -0.790) 1.574 17.921 ( -1.114 -2.013 0.455) 2.346 18.793 ( 0.820 1.598 -1.241) 2.183 18.837 ( 1.063 0.335 0.977) 1.482 18.846 ( -1.371 -0.002 2.026) 2.446 18.884 ( -0.703 -0.971 -1.084) 1.616 20.727 ( 1.985 0.061 0.411) 2.028 20.781 ( 0.386 -1.673 -0.725) 1.864 20.954 ( -0.416 -1.157 -0.579) 1.359 20.968 ( -0.684 -1.390 0.554) 1.646 21.364 ( 4.865 -0.055 -0.184) 4.869 21.416 ( 6.207 -2.159 0.232) 6.576 21.565 ( -3.948 -0.428 0.055) 3.971 21.629 ( -3.072 -2.580 0.091) 4.013 23.002 ( 1.646 0.268 0.004) 1.667 23.051 ( 1.851 -0.796 -0.585) 2.098 23.103 ( -2.047 -0.879 0.215) 2.238 23.144 ( -1.539 -1.721 -0.035) 2.309 29.541 ( -0.077 -0.513 -0.062) 0.523 29.551 ( -0.515 -0.709 0.120) 0.884 29.577 ( 0.443 -1.305 -0.319) 1.415 29.586 ( 0.024 -1.565 0.342) 1.602 33.503 ( -1.228 -0.111 -1.427) 1.886 33.513 ( -2.491 -1.213 4.544) 5.322 33.935 ( 2.852 -8.082 6.343) 10.663 34.088 ( -1.529 -15.309 -8.478) 17.567 36.673 ( -0.324 1.866 0.687) 2.015 36.700 ( -1.308 1.075 -0.540) 1.777 36.938 ( 3.146 -7.385 -0.673) 8.056 37.018 ( 0.454 -9.465 0.222) 9.478 39.971 ( 3.156 4.604 0.468) 5.602 40.046 ( 1.338 2.811 -0.644) 3.179 40.434 ( 3.004 10.873 -0.066) 11.281 40.520 ( 0.107 8.708 -0.513) 8.724 40.967 ( 16.067 13.237 0.621) 20.826 41.017 ( 15.085 11.515 0.397) 18.982 42.056 ( -27.404 18.184 -10.534) 34.534 42.132 ( -29.305 14.625 11.416) 34.684 ======================= Grid point 145 (66/70) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -3.140 12.915 -0.972) 13.326 2.156 ( 3.140 12.915 0.972) 13.326 2.262 ( 1.020 8.544 -8.958) 12.421 2.262 ( -1.020 8.544 8.958) 12.421 2.513 ( 4.739 10.619 -5.879) 13.030 2.513 ( -4.739 10.619 5.879) 13.030 2.785 ( 1.512 0.753 -4.603) 4.904 2.785 ( -1.512 0.753 4.603) 4.904 3.057 ( -5.345 6.838 -3.476) 9.349 3.057 ( 5.345 6.838 3.476) 9.349 3.351 ( 1.781 -1.432 -4.522) 5.067 3.351 ( -1.781 -1.432 4.522) 5.067 3.541 ( 13.173 -1.369 -6.200) 14.624 3.541 ( -13.173 -1.369 6.200) 14.624 3.692 ( -1.571 -1.713 -5.532) 6.000 3.692 ( 1.571 -1.713 5.532) 6.000 3.797 ( -4.394 0.569 -1.522) 4.685 3.797 ( 4.394 0.569 1.522) 4.685 4.032 ( 3.883 3.560 -7.097) 8.838 4.032 ( -3.883 3.560 7.097) 8.838 4.412 ( -3.951 -2.638 -7.456) 8.841 4.412 ( 3.951 -2.638 7.456) 8.841 4.490 ( -1.782 -0.260 -2.814) 3.341 4.490 ( 1.782 -0.260 2.814) 3.341 4.783 ( -9.200 5.874 -4.519) 11.813 4.783 ( 9.200 5.874 4.519) 11.813 4.848 ( -2.422 1.831 -7.559) 8.146 4.848 ( 2.422 1.831 7.559) 8.146 5.266 ( -3.054 -1.537 -2.287) 4.113 5.266 ( 3.054 -1.537 2.287) 4.113 5.481 ( -1.407 -2.023 -2.578) 3.566 5.481 ( 1.407 -2.023 2.578) 3.566 5.744 ( -2.055 1.479 -2.075) 3.274 5.744 ( 2.055 1.479 2.075) 3.274 6.048 ( 1.506 -3.314 -0.884) 3.746 6.048 ( -1.506 -3.314 0.884) 3.746 6.349 ( 3.350 0.819 -3.561) 4.958 6.349 ( -3.350 0.819 3.561) 4.958 6.471 ( -4.042 4.467 0.595) 6.054 6.471 ( 4.042 4.467 -0.595) 6.054 6.781 ( -2.444 1.946 -4.732) 5.670 6.781 ( 2.444 1.946 4.732) 5.670 6.850 ( 1.763 -0.726 -1.715) 2.564 6.850 ( -1.763 -0.726 1.715) 2.564 7.257 ( -0.589 7.110 -1.112) 7.220 7.257 ( 0.589 7.110 1.112) 7.220 7.380 ( -1.497 2.016 -5.046) 5.636 7.380 ( 1.497 2.016 5.046) 5.636 7.570 ( -2.031 5.407 -1.994) 6.110 7.570 ( 2.031 5.407 1.994) 6.110 7.902 ( 0.855 -0.255 -4.883) 4.963 7.902 ( -0.855 -0.255 4.883) 4.963 8.177 ( -5.553 0.960 -1.514) 5.835 8.177 ( 5.553 0.960 1.514) 5.835 8.299 ( 3.167 3.257 -2.308) 5.096 8.299 ( -3.167 3.257 2.308) 5.096 8.766 ( 5.202 2.459 -7.634) 9.559 8.766 ( -5.202 2.459 7.634) 9.559 9.246 ( -3.196 -3.479 -3.241) 5.729 9.246 ( 3.196 -3.479 3.241) 5.729 12.617 ( -1.298 1.467 -1.519) 2.479 12.617 ( 1.298 1.467 1.519) 2.479 12.987 ( 1.299 -5.776 -2.660) 6.490 12.987 ( -1.299 -5.776 2.660) 6.490 13.235 ( 1.451 1.724 -1.469) 2.690 13.235 ( -1.451 1.724 1.469) 2.690 13.475 ( 1.507 -2.356 -4.140) 4.996 13.475 ( -1.507 -2.356 4.140) 4.996 17.785 ( -0.726 0.747 -1.312) 1.675 17.785 ( 0.726 0.747 1.312) 1.675 17.881 ( 0.360 -1.156 -0.728) 1.413 17.881 ( -0.360 -1.156 0.728) 1.413 18.816 ( 1.337 0.824 -1.714) 2.325 18.816 ( -1.337 0.824 1.714) 2.325 18.863 ( -0.880 -0.270 -1.462) 1.727 18.863 ( 0.880 -0.270 1.462) 1.727 20.770 ( -1.328 -0.654 -1.060) 1.821 20.770 ( 1.328 -0.654 1.060) 1.821 20.954 ( 0.261 -1.601 -1.132) 1.978 20.954 ( -0.261 -1.601 1.132) 1.978 21.469 ( -4.469 -0.206 -0.001) 4.473 21.469 ( 4.469 -0.206 0.001) 4.473 21.540 ( -4.903 -2.831 -0.185) 5.664 21.540 ( 4.903 -2.831 0.185) 5.664 23.045 ( -0.910 -0.410 -1.374) 1.698 23.045 ( 0.910 -0.410 1.374) 1.698 23.104 ( -1.048 -1.251 -0.595) 1.737 23.104 ( 1.048 -1.251 0.595) 1.737 29.543 ( 0.246 -0.477 -0.122) 0.550 29.543 ( -0.246 -0.477 0.122) 0.550 29.584 ( 0.232 -1.465 -0.367) 1.528 29.584 ( -0.232 -1.465 0.367) 1.528 33.488 ( 0.287 -0.346 -3.987) 4.012 33.488 ( -0.287 -0.346 3.987) 4.012 34.018 ( -3.361 -11.410 -6.592) 13.600 34.018 ( 3.361 -11.410 6.592) 13.600 36.678 ( -0.616 1.636 -0.532) 1.827 36.678 ( 0.616 1.636 0.532) 1.827 36.998 ( 0.080 -8.912 -4.687) 10.070 36.998 ( -0.080 -8.912 4.687) 10.070 40.043 ( -2.150 4.878 -0.740) 5.382 40.043 ( 2.150 4.878 0.740) 5.382 40.465 ( -1.425 9.624 -0.672) 9.752 40.465 ( 1.425 9.624 0.672) 9.752 41.446 ( -20.150 15.327 -5.475) 25.902 41.446 ( 20.150 15.327 5.475) 25.902 41.512 ( -13.753 14.414 -0.300) 19.925 41.512 ( 13.753 14.414 0.300) 19.925 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -2.401 6.351 -3.537) 7.655 2.005 ( 2.401 6.351 3.537) 7.655 2.416 ( 4.000 5.501 -5.992) 9.065 2.416 ( -4.000 5.501 5.992) 9.065 2.500 ( 2.499 1.184 -6.834) 7.372 2.500 ( -2.499 1.184 6.834) 7.372 2.540 ( 0.118 -1.918 -6.972) 7.232 2.540 ( -0.118 -1.918 6.972) 7.232 2.724 ( -4.014 -7.104 -3.680) 8.951 2.724 ( 4.014 -7.104 3.680) 8.951 2.840 ( -0.844 -1.830 -2.785) 3.437 2.840 ( 0.844 -1.830 2.785) 3.437 3.145 ( 0.683 -0.486 -4.833) 4.905 3.145 ( -0.683 -0.486 4.833) 4.905 3.846 ( -0.664 1.459 -3.080) 3.472 3.846 ( 0.664 1.459 3.080) 3.472 3.993 ( -1.277 4.201 -2.921) 5.274 3.993 ( 1.277 4.201 2.921) 5.274 4.208 ( -0.036 1.200 -3.786) 3.972 4.208 ( 0.036 1.200 3.786) 3.972 4.391 ( -1.359 0.184 -2.416) 2.778 4.391 ( 1.359 0.184 2.416) 2.778 4.661 ( -0.827 -4.216 -1.476) 4.543 4.661 ( 0.827 -4.216 1.476) 4.543 4.906 ( 0.902 2.822 -4.665) 5.526 4.906 ( -0.902 2.822 4.665) 5.526 5.109 ( -0.929 -0.761 -2.044) 2.371 5.109 ( 0.929 -0.761 2.044) 2.371 5.399 ( -1.440 1.884 -1.682) 2.908 5.399 ( 1.440 1.884 1.682) 2.908 5.617 ( 2.901 7.622 -4.053) 9.107 5.617 ( -2.901 7.622 4.053) 9.107 5.739 ( -1.203 2.231 -0.714) 2.633 5.739 ( 1.203 2.231 0.714) 2.633 6.095 ( 0.565 -2.339 -0.610) 2.482 6.095 ( -0.565 -2.339 0.610) 2.482 6.371 ( 0.439 4.664 -2.437) 5.280 6.371 ( -0.439 4.664 2.437) 5.280 6.492 ( 3.346 -5.516 -2.949) 7.094 6.492 ( -3.346 -5.516 2.949) 7.094 6.805 ( 0.684 0.989 -1.919) 2.265 6.805 ( -0.684 0.989 1.919) 2.265 7.160 ( -2.852 -0.992 -1.558) 3.398 7.160 ( 2.852 -0.992 1.558) 3.398 7.219 ( -0.381 3.024 -1.339) 3.329 7.219 ( 0.381 3.024 1.339) 3.329 7.329 ( -4.255 -2.008 0.031) 4.705 7.329 ( 4.255 -2.008 -0.031) 4.705 7.508 ( -0.033 4.026 -0.666) 4.080 7.508 ( 0.033 4.026 0.666) 4.080 7.758 ( 1.147 -3.324 -2.170) 4.132 7.758 ( -1.147 -3.324 2.170) 4.132 8.038 ( -0.073 1.904 -2.391) 3.057 8.038 ( 0.073 1.904 2.391) 3.057 8.411 ( 1.088 -1.597 -2.149) 2.890 8.411 ( -1.088 -1.597 2.149) 2.890 8.857 ( 0.332 2.448 -3.221) 4.059 8.857 ( -0.332 2.448 3.221) 4.059 9.384 ( -0.445 0.377 -1.117) 1.260 9.384 ( 0.445 0.377 1.117) 1.260 12.636 ( -0.311 1.316 -1.284) 1.865 12.636 ( 0.311 1.316 1.284) 1.865 12.739 ( -0.396 -4.031 -0.346) 4.065 12.739 ( 0.396 -4.031 0.346) 4.065 13.348 ( 1.017 1.383 -0.641) 1.833 13.348 ( -1.017 1.383 0.641) 1.833 13.511 ( -1.248 -0.124 -0.290) 1.288 13.511 ( 1.248 -0.124 0.290) 1.288 17.755 ( 0.215 0.033 -0.530) 0.573 17.755 ( -0.215 0.033 0.530) 0.573 17.855 ( 0.039 -0.454 -0.496) 0.673 17.855 ( -0.039 -0.454 0.496) 0.673 18.825 ( -0.213 1.187 -0.649) 1.369 18.825 ( 0.213 1.187 0.649) 1.369 18.863 ( 0.248 -0.978 -0.887) 1.344 18.863 ( -0.248 -0.978 0.887) 1.344 20.720 ( -0.427 -0.208 -0.295) 0.559 20.720 ( 0.427 -0.208 0.295) 0.559 20.966 ( -0.043 -0.271 -0.276) 0.390 20.966 ( 0.043 -0.271 0.276) 0.390 21.229 ( -0.062 0.020 -0.053) 0.084 21.229 ( 0.062 0.020 0.053) 0.084 21.655 ( -0.270 -0.485 -0.072) 0.559 21.655 ( 0.270 -0.485 0.072) 0.559 23.003 ( 0.139 0.695 -0.993) 1.220 23.003 ( -0.139 0.695 0.993) 1.220 23.134 ( 0.144 -1.047 -0.348) 1.113 23.134 ( -0.144 -1.047 0.348) 1.113 29.543 ( -0.163 -0.196 0.033) 0.257 29.543 ( 0.163 -0.196 -0.033) 0.257 29.552 ( -0.172 -0.650 -0.108) 0.681 29.552 ( 0.172 -0.650 0.108) 0.681 33.561 ( -0.153 -0.128 -0.441) 0.484 33.561 ( 0.153 -0.128 0.441) 0.484 33.796 ( 1.672 -5.006 -5.450) 7.587 33.796 ( -1.672 -5.006 5.450) 7.587 36.743 ( 0.108 1.267 -1.410) 1.898 36.743 ( -0.108 1.267 1.410) 1.898 36.806 ( -0.459 -3.096 -2.435) 3.966 36.806 ( 0.459 -3.096 2.435) 3.966 40.119 ( -7.049 2.683 -0.918) 7.598 40.119 ( 7.049 2.683 0.918) 7.598 40.152 ( -7.347 -0.193 -0.754) 7.388 40.152 ( 7.347 -0.193 0.754) 7.388 41.112 ( -0.187 5.829 -1.224) 5.959 41.112 ( 0.187 5.829 1.224) 5.959 43.017 ( -0.056 3.680 -7.496) 8.350 43.017 ( 0.056 3.680 7.496) 8.350 ======================= Grid point 151 (68/70) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 8.483 10.140 -2.986) 13.553 2.190 ( 12.897 0.087 0.896) 12.929 2.347 ( -0.663 8.744 3.730) 9.529 2.454 ( -1.169 1.781 3.674) 4.247 2.521 ( 3.245 2.676 -4.763) 6.354 2.551 ( 3.505 0.319 -7.425) 8.217 2.593 ( 2.161 1.376 -3.161) 4.069 2.665 ( 6.456 -0.581 0.907) 6.546 2.732 ( 7.884 -2.670 -4.304) 9.370 2.828 ( 3.183 -10.814 5.235) 12.429 2.890 ( 9.641 3.173 2.533) 10.461 2.961 ( 10.044 -4.341 -0.982) 10.986 3.175 ( 4.073 1.454 -2.277) 4.888 3.219 ( 5.478 -3.383 -1.914) 6.717 3.766 ( -4.060 6.169 2.501) 7.797 3.881 ( -0.570 -0.814 2.965) 3.127 3.957 ( 0.071 1.527 -1.472) 2.122 4.029 ( -1.760 -3.054 1.092) 3.690 4.171 ( 1.073 8.809 -0.224) 8.877 4.217 ( -1.012 2.152 -3.620) 4.331 4.344 ( -3.514 0.181 -1.842) 3.972 4.457 ( 3.514 -3.761 2.399) 5.678 4.572 ( -8.874 -3.905 2.816) 10.096 4.633 ( -3.811 -5.266 4.031) 7.649 4.816 ( -3.794 4.685 4.217) 7.357 4.892 ( -3.633 -2.182 1.553) 4.514 5.026 ( -2.692 7.379 -2.524) 8.250 5.157 ( 0.249 -3.193 -2.482) 4.052 5.344 ( -3.794 7.068 -2.631) 8.442 5.398 ( -2.146 -0.359 0.728) 2.294 5.513 ( -3.952 4.866 1.819) 6.527 5.604 ( -5.286 3.098 -2.974) 6.811 5.726 ( 0.026 1.457 1.535) 2.117 5.771 ( 1.305 -1.043 1.201) 2.057 6.039 ( -2.338 1.650 -1.490) 3.226 6.116 ( -0.438 -2.650 -1.208) 2.945 6.323 ( -0.893 3.236 1.314) 3.605 6.418 ( -2.997 -5.045 2.624) 6.428 6.444 ( 2.885 5.177 -0.176) 5.929 6.554 ( 2.344 -4.170 -1.550) 5.029 6.792 ( -0.859 2.120 1.005) 2.499 6.817 ( 0.518 -0.079 -2.775) 2.824 6.995 ( -6.411 0.440 -3.232) 7.193 7.019 ( -7.641 -1.919 -3.917) 8.798 7.276 ( 2.408 0.945 3.497) 4.350 7.300 ( 3.373 -0.886 3.713) 5.094 7.396 ( 2.126 3.773 0.377) 4.347 7.424 ( 0.665 1.884 -2.144) 2.930 7.533 ( 3.799 2.869 1.580) 5.016 7.550 ( 4.977 -0.212 1.599) 5.232 7.729 ( 1.380 1.229 0.306) 1.873 7.805 ( 2.439 -3.906 -0.376) 4.620 8.041 ( 1.495 4.212 -0.046) 4.470 8.106 ( 4.349 -2.869 0.005) 5.210 8.376 ( -1.786 1.308 0.819) 2.360 8.415 ( -0.689 -2.501 -1.773) 3.142 8.803 ( -2.697 5.784 1.832) 6.639 8.884 ( 0.566 -1.941 0.773) 2.165 9.326 ( -4.128 2.575 -0.713) 4.918 9.372 ( -2.234 -1.466 -0.720) 2.768 12.628 ( 0.550 2.959 -1.124) 3.213 12.678 ( 2.545 1.772 -1.845) 3.608 12.734 ( 0.950 -3.900 -2.715) 4.846 12.790 ( 3.258 -5.728 -3.628) 7.523 13.304 ( -2.695 2.682 3.256) 5.006 13.346 ( -1.329 -1.198 2.406) 2.998 13.471 ( -2.227 2.305 1.215) 3.428 13.518 ( -0.839 -1.999 2.036) 2.975 17.759 ( 0.580 0.468 0.610) 0.963 17.767 ( 1.008 -0.342 -0.462) 1.161 17.845 ( -0.132 0.955 -0.570) 1.120 17.875 ( 0.790 -1.829 -0.653) 2.096 18.822 ( 0.022 1.491 -0.499) 1.572 18.832 ( 0.337 0.587 0.757) 1.016 18.856 ( -0.413 -0.457 1.126) 1.283 18.865 ( 0.032 -1.195 -0.633) 1.352 20.713 ( 0.246 0.686 -0.129) 0.740 20.732 ( 0.709 -1.132 0.030) 1.336 20.958 ( -0.643 -0.136 -0.169) 0.679 20.962 ( -0.514 -0.500 0.143) 0.731 21.272 ( 3.655 0.214 0.004) 3.661 21.278 ( 4.039 -0.379 0.029) 4.057 21.628 ( -2.105 0.095 -0.022) 2.107 21.641 ( -1.593 -1.080 0.059) 1.926 23.002 ( 0.282 1.146 0.209) 1.199 23.016 ( 0.809 -0.067 -0.267) 0.854 23.121 ( -0.956 -0.472 0.202) 1.085 23.131 ( -0.511 -1.343 -0.201) 1.450 29.538 ( -0.155 0.039 0.044) 0.165 29.545 ( -0.097 -0.539 0.014) 0.548 29.552 ( 0.194 -0.323 -0.177) 0.416 29.557 ( 0.187 -0.807 0.113) 0.836 33.538 ( -1.618 0.074 -0.715) 1.771 33.541 ( -1.867 -0.399 1.416) 2.377 33.789 ( 0.542 -2.432 4.135) 4.827 33.834 ( 1.903 -7.110 -4.742) 8.756 36.725 ( -0.531 2.011 0.333) 2.107 36.762 ( -0.578 2.451 -0.318) 2.538 36.783 ( 0.888 -3.460 -0.564) 3.616 36.842 ( 1.347 -4.976 0.201) 5.159 40.015 ( -1.146 2.584 -0.034) 2.827 40.048 ( -1.133 -0.534 -0.267) 1.281 40.378 ( 14.142 3.765 0.111) 14.635 40.411 ( 14.393 0.654 -0.009) 14.408 41.071 ( -2.264 6.001 -0.793) 6.463 41.083 ( -1.808 4.901 1.130) 5.345 42.812 ( -17.448 5.107 -6.192) 19.206 42.829 ( -17.609 3.395 6.696) 19.142 ======================= Grid point 152 (69/70) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 8.081 11.434 -1.113) 14.045 2.370 ( 2.879 8.400 1.760) 9.052 2.430 ( 0.975 1.997 -0.683) 2.324 2.460 ( 4.654 0.479 -5.264) 7.043 2.534 ( 1.009 4.929 -0.714) 5.082 2.615 ( 1.874 -5.205 -3.925) 6.783 2.651 ( 3.075 2.716 -1.196) 4.273 2.773 ( 1.484 -1.383 4.393) 4.839 2.929 ( 11.989 1.794 5.262) 13.216 3.030 ( 18.116 -2.474 -6.745) 19.489 3.189 ( 11.600 1.287 -0.534) 11.683 3.231 ( 13.175 -1.068 -0.112) 13.219 3.310 ( 6.158 -0.822 -4.176) 7.486 3.358 ( 9.989 -2.785 0.540) 10.384 3.692 ( -2.086 8.983 2.166) 9.473 3.803 ( -7.657 3.348 3.031) 8.890 3.873 ( -11.391 -2.984 1.917) 11.930 4.019 ( 0.662 -10.687 2.215) 10.934 4.133 ( -5.500 3.124 -3.953) 7.459 4.193 ( -5.031 2.687 -1.417) 5.877 4.267 ( 0.707 -0.173 -2.162) 2.282 4.353 ( -4.284 0.451 -0.304) 4.319 4.475 ( -3.097 -0.214 4.921) 5.819 4.588 ( -0.607 -5.539 -0.392) 5.586 4.751 ( -3.115 0.225 6.158) 6.904 4.796 ( -5.251 -3.694 4.825) 8.031 4.970 ( -1.897 13.549 -0.726) 13.700 5.148 ( -0.478 -3.380 -4.872) 5.949 5.236 ( -4.864 6.531 -4.048) 9.094 5.325 ( -4.674 -0.946 -0.326) 4.780 5.447 ( -4.026 -2.096 0.838) 4.615 5.468 ( -2.913 -1.855 1.506) 3.767 5.736 ( 0.864 2.069 2.479) 3.343 5.790 ( 0.012 -1.758 -0.148) 1.764 6.005 ( -0.405 3.624 -2.020) 4.169 6.080 ( -2.532 -2.231 -0.385) 3.396 6.327 ( 0.720 1.001 -0.132) 1.240 6.367 ( -1.727 -2.951 1.747) 3.840 6.507 ( 2.911 5.462 -0.337) 6.198 6.582 ( 0.210 -1.053 -0.162) 1.086 6.774 ( -0.173 1.980 0.639) 2.088 6.818 ( 0.001 -1.355 -2.673) 2.997 6.883 ( -4.530 -0.105 -2.011) 4.957 6.894 ( -3.344 -0.536 -1.685) 3.783 7.346 ( 1.536 1.656 6.295) 6.688 7.353 ( -0.699 1.856 3.869) 4.348 7.378 ( 0.466 2.116 -2.991) 3.694 7.408 ( 0.912 -1.001 -3.524) 3.775 7.615 ( 2.171 2.401 -0.286) 3.249 7.622 ( 1.845 1.491 0.759) 2.490 7.817 ( 4.291 1.299 -0.982) 4.590 7.867 ( 1.814 -2.683 2.012) 3.812 8.119 ( 5.891 3.972 -1.264) 7.217 8.195 ( 3.215 -3.221 -0.694) 4.604 8.340 ( -1.522 2.914 0.457) 3.319 8.387 ( -1.663 -1.443 0.265) 2.218 8.773 ( 0.575 7.177 0.956) 7.263 8.889 ( -0.464 -3.724 3.192) 4.927 9.222 ( -4.426 3.246 -1.073) 5.593 9.292 ( -4.728 -2.646 -1.432) 5.604 12.654 ( 1.842 4.751 -1.120) 5.217 12.714 ( 0.438 5.277 -3.005) 6.089 12.778 ( 3.358 -6.698 -2.457) 7.885 12.849 ( 1.853 -7.204 -3.531) 8.234 13.262 ( -1.024 2.815 2.741) 4.060 13.312 ( -1.760 -1.782 2.510) 3.546 13.427 ( -1.649 2.084 1.641) 3.123 13.481 ( -2.657 -2.771 2.702) 4.694 17.780 ( 1.196 0.838 0.620) 1.586 17.795 ( 1.355 -0.424 -0.586) 1.536 17.843 ( -0.044 1.082 -0.838) 1.369 17.878 ( -0.570 -2.058 -0.217) 2.146 18.825 ( 0.310 1.356 -0.524) 1.486 18.839 ( 0.103 -0.071 0.766) 0.776 18.849 ( -0.221 0.217 1.107) 1.149 18.862 ( -0.239 -1.025 -0.637) 1.230 20.734 ( 1.500 0.642 0.082) 1.634 20.752 ( 1.024 -1.107 -0.169) 1.518 20.940 ( -0.841 -0.212 -0.199) 0.890 20.945 ( -0.920 -0.696 0.173) 1.166 21.368 ( 4.923 0.477 -0.032) 4.946 21.384 ( 5.352 -1.046 0.033) 5.454 21.565 ( -3.668 0.512 0.024) 3.703 21.586 ( -3.414 -1.504 0.040) 3.731 23.017 ( 1.093 1.011 0.019) 1.489 23.037 ( 1.078 -0.772 -0.074) 1.328 23.095 ( -1.283 0.226 0.117) 1.308 23.112 ( -1.185 -1.271 -0.113) 1.741 29.537 ( -0.002 0.118 0.003) 0.118 29.541 ( -0.173 -0.278 0.032) 0.329 29.557 ( 0.218 -0.520 -0.174) 0.590 29.560 ( 0.078 -0.818 0.133) 0.833 33.501 ( -1.444 0.055 0.562) 1.551 33.504 ( -1.402 -0.028 0.124) 1.407 33.817 ( 1.403 -2.567 2.825) 4.067 33.855 ( 0.450 -6.590 -3.424) 7.440 36.720 ( 0.046 2.592 0.285) 2.608 36.741 ( -0.877 2.360 -0.333) 2.539 36.817 ( 1.738 -3.685 -0.531) 4.108 36.859 ( 0.149 -5.843 0.228) 5.849 40.051 ( 3.687 2.741 0.058) 4.594 40.079 ( 3.061 0.160 -0.251) 3.075 40.604 ( 3.221 5.084 0.019) 6.018 40.636 ( 2.319 2.130 -0.349) 3.168 41.165 ( 15.649 5.320 0.206) 16.530 41.181 ( 15.163 3.786 0.519) 15.637 42.304 ( -27.556 6.091 -4.027) 28.507 42.324 ( -28.131 4.024 4.443) 28.763 ======================= Grid point 153 (70/70) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -1.037 9.029 -3.884) 9.883 2.390 ( 1.037 9.029 3.884) 9.883 2.448 ( -1.484 7.042 -7.810) 10.620 2.448 ( 1.484 7.042 7.810) 10.620 2.601 ( 2.131 -2.706 -3.633) 5.006 2.601 ( -2.131 -2.706 3.633) 5.006 2.735 ( 3.945 -2.751 -7.452) 8.869 2.735 ( -3.945 -2.751 7.452) 8.869 3.226 ( -7.777 7.938 -5.681) 12.481 3.226 ( 7.777 7.938 5.681) 12.481 3.379 ( -1.648 2.711 -3.485) 4.712 3.379 ( 1.648 2.711 3.485) 4.712 3.496 ( -2.904 -2.417 -8.139) 8.973 3.496 ( 2.904 -2.417 8.139) 8.973 3.590 ( -9.295 -6.465 -2.108) 11.517 3.590 ( 9.295 -6.465 2.108) 11.517 3.814 ( -12.376 1.655 0.291) 12.489 3.814 ( 12.376 1.655 -0.291) 12.489 4.097 ( 0.765 0.770 -3.471) 3.637 4.097 ( -0.765 0.770 3.471) 3.637 4.375 ( 3.122 1.319 -7.515) 8.244 4.375 ( -3.122 1.319 7.515) 8.244 4.456 ( 8.371 -3.640 -5.816) 10.824 4.456 ( -8.371 -3.640 5.816) 10.824 4.732 ( 0.460 -3.267 -0.630) 3.359 4.732 ( -0.460 -3.267 0.630) 3.359 5.019 ( -6.570 6.972 -6.755) 11.722 5.019 ( 6.570 6.972 6.755) 11.722 5.237 ( -1.044 -0.974 -4.946) 5.148 5.237 ( 1.044 -0.974 4.946) 5.148 5.426 ( 0.284 -2.658 -2.571) 3.709 5.426 ( -0.284 -2.658 2.571) 3.709 5.768 ( -1.526 0.943 -2.166) 2.813 5.768 ( 1.526 0.943 2.166) 2.813 6.024 ( -1.534 0.114 0.086) 1.540 6.024 ( 1.534 0.114 -0.086) 1.540 6.343 ( 0.571 -0.744 -1.093) 1.440 6.343 ( -0.571 -0.744 1.093) 1.440 6.563 ( -1.888 3.009 0.286) 3.564 6.563 ( 1.888 3.009 -0.286) 3.564 6.801 ( -1.274 0.399 -2.736) 3.045 6.801 ( 1.274 0.399 2.736) 3.044 6.837 ( 1.167 -0.519 -1.522) 1.987 6.837 ( -1.167 -0.519 1.522) 1.987 7.336 ( 0.056 1.247 -0.875) 1.524 7.336 ( -0.056 1.247 0.875) 1.524 7.421 ( -0.737 1.331 -1.600) 2.208 7.421 ( 0.737 1.331 1.600) 2.208 7.642 ( -0.196 1.710 -0.429) 1.774 7.642 ( 0.196 1.710 0.429) 1.774 7.870 ( 1.282 -1.323 -1.735) 2.530 7.870 ( -1.282 -1.323 1.735) 2.530 8.220 ( 0.015 2.083 -1.972) 2.868 8.220 ( -0.015 2.083 1.972) 2.868 8.340 ( 2.226 0.251 -1.364) 2.623 8.340 ( -2.226 0.251 1.364) 2.623 8.840 ( 1.620 3.092 -3.412) 4.882 8.840 ( -1.620 3.092 3.412) 4.882 9.197 ( -1.102 -1.342 -2.378) 2.945 9.197 ( 1.102 -1.342 2.378) 2.945 12.695 ( -1.404 5.640 -0.933) 5.886 12.695 ( 1.404 5.640 0.933) 5.886 12.843 ( -1.950 -7.318 0.160) 7.575 12.843 ( 1.950 -7.318 -0.160) 7.575 13.274 ( -0.867 1.434 0.049) 1.677 13.274 ( 0.867 1.434 -0.049) 1.677 13.428 ( 0.444 -1.628 -1.423) 2.208 13.428 ( -0.444 -1.628 1.423) 2.208 17.804 ( -0.483 0.873 -1.064) 1.459 17.804 ( 0.483 0.873 1.064) 1.459 17.854 ( -0.044 -1.110 -0.854) 1.401 17.854 ( 0.044 -1.110 0.854) 1.401 18.833 ( 0.459 0.753 -0.775) 1.174 18.833 ( -0.459 0.753 0.775) 1.174 18.854 ( -0.358 -0.496 -0.783) 0.994 18.854 ( 0.358 -0.496 0.783) 0.994 20.761 ( -0.466 -0.185 -0.302) 0.585 20.761 ( 0.466 -0.185 0.302) 0.585 20.931 ( 0.105 -0.581 -0.297) 0.661 20.931 ( -0.105 -0.581 0.297) 0.661 21.474 ( -4.502 0.640 -0.072) 4.547 21.474 ( 4.502 0.640 0.072) 4.547 21.496 ( -4.662 -1.518 -0.113) 4.904 21.496 ( 4.662 -1.518 0.113) 4.904 23.043 ( -0.336 0.052 -0.592) 0.683 23.043 ( 0.336 0.052 0.592) 0.683 23.086 ( -0.572 -0.475 -0.308) 0.805 23.086 ( 0.572 -0.475 0.308) 0.805 29.538 ( -0.061 0.006 -0.008) 0.062 29.538 ( 0.061 0.006 0.008) 0.062 29.560 ( 0.071 -0.721 -0.177) 0.746 29.560 ( -0.071 -0.721 0.177) 0.746 33.486 ( 0.040 0.103 -1.814) 1.817 33.486 ( -0.040 0.103 1.814) 1.817 33.846 ( -0.821 -4.498 -2.805) 5.364 33.846 ( 0.821 -4.498 2.805) 5.364 36.726 ( -0.140 2.747 -1.080) 2.955 36.726 ( 0.140 2.747 1.080) 2.955 36.849 ( 0.126 -5.178 -2.322) 5.676 36.849 ( -0.126 -5.178 2.322) 5.676 40.117 ( -0.868 1.912 -0.172) 2.107 40.117 ( 0.868 1.912 0.172) 2.107 40.608 ( -0.793 3.649 -0.132) 3.736 40.608 ( 0.793 3.649 0.132) 3.736 41.656 ( -6.274 4.925 -2.320) 8.307 41.656 ( 6.274 4.925 2.320) 8.307 41.716 ( -3.293 4.979 0.080) 5.970 41.716 ( 3.293 4.979 -0.080) 5.970 =================== 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 3/23328 10.0 819.168 738.912 867.815 0.000 -235.249 0.000 3/23328 20.0 180.617 199.572 157.492 0.000 -43.010 0.000 3/23328 30.0 66.730 76.300 53.969 0.000 -13.926 0.000 3/23328 40.0 34.349 38.679 26.602 0.000 -6.799 0.000 3/23328 50.0 21.344 23.645 16.163 0.000 -4.111 0.000 3/23328 60.0 14.911 16.311 11.161 0.000 -2.826 0.000 3/23328 70.0 11.263 12.205 8.377 0.000 -2.114 0.000 3/23328 80.0 8.982 9.665 6.658 0.000 -1.676 0.000 3/23328 90.0 7.449 7.972 5.511 0.000 -1.386 0.000 3/23328 100.0 6.359 6.776 4.699 0.000 -1.181 0.000 3/23328 110.0 5.548 5.892 4.097 0.000 -1.029 0.000 3/23328 120.0 4.924 5.215 3.635 0.000 -0.913 0.000 3/23328 130.0 4.429 4.681 3.269 0.000 -0.822 0.000 3/23328 140.0 4.027 4.248 2.972 0.000 -0.747 0.000 3/23328 150.0 3.694 3.891 2.727 0.000 -0.686 0.000 3/23328 160.0 3.414 3.592 2.520 0.000 -0.634 0.000 3/23328 170.0 3.175 3.337 2.344 0.000 -0.590 0.000 3/23328 180.0 2.969 3.117 2.192 0.000 -0.552 0.000 3/23328 190.0 2.788 2.926 2.059 0.000 -0.519 0.000 3/23328 200.0 2.630 2.758 1.942 0.000 -0.489 0.000 3/23328 210.0 2.489 2.609 1.839 0.000 -0.463 0.000 3/23328 220.0 2.363 2.476 1.746 0.000 -0.440 0.000 3/23328 230.0 2.250 2.357 1.663 0.000 -0.419 0.000 3/23328 240.0 2.148 2.249 1.588 0.000 -0.400 0.000 3/23328 250.0 2.055 2.152 1.520 0.000 -0.383 0.000 3/23328 260.0 1.970 2.063 1.457 0.000 -0.367 0.000 3/23328 270.0 1.893 1.982 1.400 0.000 -0.352 0.000 3/23328 280.0 1.821 1.907 1.348 0.000 -0.339 0.000 3/23328 290.0 1.756 1.838 1.300 0.000 -0.327 0.000 3/23328 300.0 1.695 1.775 1.255 0.000 -0.315 0.000 3/23328 310.0 1.638 1.716 1.213 0.000 -0.305 0.000 3/23328 320.0 1.586 1.662 1.174 0.000 -0.295 0.000 3/23328 330.0 1.537 1.611 1.138 0.000 -0.285 0.000 3/23328 340.0 1.491 1.564 1.105 0.000 -0.277 0.000 3/23328 350.0 1.448 1.519 1.073 0.000 -0.269 0.000 3/23328 360.0 1.407 1.478 1.043 0.000 -0.261 0.000 3/23328 370.0 1.369 1.439 1.015 0.000 -0.254 0.000 3/23328 380.0 1.334 1.402 0.989 0.000 -0.247 0.000 3/23328 390.0 1.300 1.367 0.964 0.000 -0.240 0.000 3/23328 400.0 1.268 1.335 0.940 0.000 -0.234 0.000 3/23328 410.0 1.237 1.304 0.918 0.000 -0.228 0.000 3/23328 420.0 1.209 1.274 0.897 0.000 -0.223 0.000 3/23328 430.0 1.181 1.246 0.876 0.000 -0.217 0.000 3/23328 440.0 1.155 1.220 0.857 0.000 -0.212 0.000 3/23328 450.0 1.131 1.195 0.839 0.000 -0.208 0.000 3/23328 460.0 1.107 1.171 0.821 0.000 -0.203 0.000 3/23328 470.0 1.084 1.148 0.805 0.000 -0.199 0.000 3/23328 480.0 1.063 1.126 0.789 0.000 -0.194 0.000 3/23328 490.0 1.042 1.105 0.773 0.000 -0.190 0.000 3/23328 500.0 1.022 1.085 0.759 0.000 -0.186 0.000 3/23328 510.0 1.003 1.066 0.745 0.000 -0.183 0.000 3/23328 520.0 0.985 1.047 0.731 0.000 -0.179 0.000 3/23328 530.0 0.968 1.029 0.718 0.000 -0.176 0.000 3/23328 540.0 0.951 1.012 0.705 0.000 -0.172 0.000 3/23328 550.0 0.935 0.996 0.693 0.000 -0.169 0.000 3/23328 560.0 0.919 0.980 0.682 0.000 -0.166 0.000 3/23328 570.0 0.904 0.965 0.670 0.000 -0.163 0.000 3/23328 580.0 0.889 0.950 0.660 0.000 -0.160 0.000 3/23328 590.0 0.875 0.936 0.649 0.000 -0.158 0.000 3/23328 600.0 0.862 0.922 0.639 0.000 -0.155 0.000 3/23328 610.0 0.848 0.909 0.629 0.000 -0.152 0.000 3/23328 620.0 0.836 0.896 0.620 0.000 -0.150 0.000 3/23328 630.0 0.823 0.883 0.610 0.000 -0.147 0.000 3/23328 640.0 0.811 0.871 0.601 0.000 -0.145 0.000 3/23328 650.0 0.800 0.859 0.593 0.000 -0.143 0.000 3/23328 660.0 0.789 0.848 0.584 0.000 -0.141 0.000 3/23328 670.0 0.778 0.837 0.576 0.000 -0.139 0.000 3/23328 680.0 0.767 0.826 0.568 0.000 -0.136 0.000 3/23328 690.0 0.757 0.816 0.561 0.000 -0.134 0.000 3/23328 700.0 0.747 0.805 0.553 0.000 -0.133 0.000 3/23328 710.0 0.737 0.796 0.546 0.000 -0.131 0.000 3/23328 720.0 0.728 0.786 0.539 0.000 -0.129 0.000 3/23328 730.0 0.719 0.777 0.532 0.000 -0.127 0.000 3/23328 740.0 0.710 0.767 0.525 0.000 -0.125 0.000 3/23328 750.0 0.701 0.759 0.519 0.000 -0.124 0.000 3/23328 760.0 0.692 0.750 0.512 0.000 -0.122 0.000 3/23328 770.0 0.684 0.741 0.506 0.000 -0.120 0.000 3/23328 780.0 0.676 0.733 0.500 0.000 -0.119 0.000 3/23328 790.0 0.668 0.725 0.494 0.000 -0.117 0.000 3/23328 800.0 0.660 0.717 0.488 0.000 -0.116 0.000 3/23328 810.0 0.653 0.709 0.483 0.000 -0.114 0.000 3/23328 820.0 0.646 0.702 0.477 0.000 -0.113 0.000 3/23328 830.0 0.638 0.695 0.472 0.000 -0.112 0.000 3/23328 840.0 0.631 0.687 0.467 0.000 -0.110 0.000 3/23328 850.0 0.624 0.680 0.462 0.000 -0.109 0.000 3/23328 860.0 0.618 0.673 0.457 0.000 -0.108 0.000 3/23328 870.0 0.611 0.667 0.452 0.000 -0.106 0.000 3/23328 880.0 0.605 0.660 0.447 0.000 -0.105 0.000 3/23328 890.0 0.599 0.654 0.442 0.000 -0.104 0.000 3/23328 900.0 0.592 0.647 0.438 0.000 -0.103 0.000 3/23328 910.0 0.586 0.641 0.433 0.000 -0.102 0.000 3/23328 920.0 0.581 0.635 0.429 0.000 -0.101 0.000 3/23328 930.0 0.575 0.629 0.424 0.000 -0.099 0.000 3/23328 940.0 0.569 0.623 0.420 0.000 -0.098 0.000 3/23328 950.0 0.564 0.617 0.416 0.000 -0.097 0.000 3/23328 960.0 0.558 0.612 0.412 0.000 -0.096 0.000 3/23328 970.0 0.553 0.606 0.408 0.000 -0.095 0.000 3/23328 980.0 0.548 0.601 0.404 0.000 -0.094 0.000 3/23328 990.0 0.542 0.596 0.400 0.000 -0.093 0.000 3/23328 1000.0 0.537 0.590 0.396 0.000 -0.092 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:03:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|