----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:22:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.270506630006154 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.213976851264485 0.000000000000000 7.886320311591276 Atomic positions (fractional): *1 O 0.61063938974683 0.05637609533569 0.07887337707406 15.999 2 O 0.38936061025317 0.55637609533569 0.92112662292594 15.999 *3 O 0.02172274940710 0.30345362412367 0.42166939600300 15.999 4 O 0.97827725059290 0.80345362412367 0.57833060399700 15.999 *5 O 0.52312520638141 0.84306690306157 0.85313876506685 15.999 6 O 0.47687479361859 0.34306690306157 0.14686123493315 15.999 *7 O 0.53552394252379 0.13955933130254 0.77755407369536 15.999 8 O 0.46447605747621 0.63955933130254 0.22244592630464 15.999 *9 O 0.82248329028039 0.98497824219607 0.83998547994441 15.999 10 O 0.17751670971961 0.48497824219607 0.16001452005559 15.999 *11 O 0.96392158341965 0.19738942774874 0.03548981961640 15.999 12 O 0.03607841658035 0.69738942774874 0.96451018038360 15.999 *13 O 0.91114898120420 0.99731015271433 0.32718685440000 15.999 14 O 0.08885101879580 0.49731015271433 0.67281314560000 15.999 *15 O 0.69007957244911 0.78143557850939 0.39310312799931 15.999 16 O 0.30992042755089 0.28143557850939 0.60689687200069 15.999 *17 O 0.01044780606920 0.70991942236520 0.28387755710813 15.999 18 O 0.98955219393080 0.20991942236520 0.71612244289187 15.999 *19 O 0.83486856848798 0.49462579656680 0.11638370677533 15.999 20 O 0.16513143151202 0.99462579656680 0.88361629322467 15.999 *21 O 0.67995408650035 0.47614397669458 0.42708250319206 15.999 22 O 0.32004591349965 0.97614397669458 0.57291749680794 15.999 *23 O 0.42697821438982 0.65223714442552 0.54103071908464 15.999 24 O 0.57302178561018 0.15223714442552 0.45896928091536 15.999 *25 P 0.99643230142758 0.09806394211161 0.88061084975476 30.974 26 P 0.00356769857242 0.59806394211161 0.11938915024524 30.974 *27 P 0.61414076375065 0.99852987188424 0.89985974326496 30.974 28 P 0.38585923624935 0.49852987188424 0.10014025673504 30.974 *29 P 0.43566543237846 0.12391130339900 0.59378424008748 30.974 30 P 0.56433456762154 0.62391130339900 0.40621575991252 30.974 *31 P 0.09804821651777 0.33317719130056 0.59708230265101 30.974 32 P 0.90195178348223 0.83317719130056 0.40291769734900 30.974 *33 K 0.26690169034420 0.06381589225453 0.21891688581131 39.098 34 K 0.73309830965580 0.56381589225453 0.78108311418869 39.098 *35 Tb 0.23758477707213 0.74940619400595 0.74295377219485 158.925 36 Tb 0.76241522292787 0.24940619400595 0.25704622780515 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.270506630006154 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.213976851264485 0.000000000000000 7.886320311591276 Atomic positions (fractional): *1 O 0.61063938974683 0.05637609533569 0.07887337707406 15.999 > 1 2 O 0.38936061025317 0.55637609533569 0.92112662292594 15.999 > 2 *3 O 0.02172274940710 0.30345362412367 0.42166939600300 15.999 > 3 4 O 0.97827725059290 0.80345362412367 0.57833060399700 15.999 > 4 *5 O 0.52312520638141 0.84306690306157 0.85313876506685 15.999 > 5 6 O 0.47687479361859 0.34306690306157 0.14686123493315 15.999 > 6 *7 O 0.53552394252379 0.13955933130254 0.77755407369536 15.999 > 7 8 O 0.46447605747621 0.63955933130254 0.22244592630464 15.999 > 8 *9 O 0.82248329028039 0.98497824219607 0.83998547994441 15.999 > 9 10 O 0.17751670971961 0.48497824219607 0.16001452005559 15.999 > 10 *11 O 0.96392158341965 0.19738942774874 0.03548981961640 15.999 > 11 12 O 0.03607841658035 0.69738942774874 0.96451018038360 15.999 > 12 *13 O 0.91114898120420 0.99731015271433 0.32718685440000 15.999 > 13 14 O 0.08885101879580 0.49731015271433 0.67281314560000 15.999 > 14 *15 O 0.69007957244911 0.78143557850939 0.39310312799931 15.999 > 15 16 O 0.30992042755089 0.28143557850939 0.60689687200069 15.999 > 16 *17 O 0.01044780606920 0.70991942236520 0.28387755710813 15.999 > 17 18 O 0.98955219393080 0.20991942236520 0.71612244289187 15.999 > 18 *19 O 0.83486856848798 0.49462579656680 0.11638370677533 15.999 > 19 20 O 0.16513143151202 0.99462579656680 0.88361629322467 15.999 > 20 *21 O 0.67995408650035 0.47614397669458 0.42708250319206 15.999 > 21 22 O 0.32004591349965 0.97614397669458 0.57291749680794 15.999 > 22 *23 O 0.42697821438982 0.65223714442552 0.54103071908464 15.999 > 23 24 O 0.57302178561018 0.15223714442552 0.45896928091536 15.999 > 24 *25 P 0.99643230142758 0.09806394211161 0.88061084975476 30.974 > 25 26 P 0.00356769857242 0.59806394211161 0.11938915024524 30.974 > 26 *27 P 0.61414076375065 0.99852987188424 0.89985974326496 30.974 > 27 28 P 0.38585923624935 0.49852987188424 0.10014025673504 30.974 > 28 *29 P 0.43566543237846 0.12391130339900 0.59378424008748 30.974 > 29 30 P 0.56433456762154 0.62391130339900 0.40621575991252 30.974 > 30 *31 P 0.09804821651777 0.33317719130056 0.59708230265101 30.974 > 31 32 P 0.90195178348223 0.83317719130056 0.40291769734900 30.974 > 32 *33 K 0.26690169034420 0.06381589225453 0.21891688581131 39.098 > 33 34 K 0.73309830965580 0.56381589225453 0.78108311418869 39.098 > 34 *35 Tb 0.23758477707213 0.74940619400595 0.74295377219485 158.925 > 35 36 Tb 0.76241522292787 0.24940619400595 0.25704622780515 158.925 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.541013260012308 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.427953702528970 0.000000000000000 15.772640623182552 Atomic positions (fractional): *1 O 0.30531969487341 0.05637609533569 0.03943668853703 15.999 > 1 2 O 0.80531969487341 0.05637609533569 0.03943668853703 15.999 > 1 3 O 0.30531969487341 0.05637609533569 0.53943668853703 15.999 > 1 4 O 0.80531969487341 0.05637609533569 0.53943668853703 15.999 > 1 5 O 0.19468030512659 0.55637609533569 0.46056331146297 15.999 > 2 6 O 0.69468030512659 0.55637609533569 0.46056331146297 15.999 > 2 7 O 0.19468030512659 0.55637609533569 0.96056331146297 15.999 > 2 8 O 0.69468030512659 0.55637609533569 0.96056331146297 15.999 > 2 *9 O 0.01086137470355 0.30345362412367 0.21083469800150 15.999 > 3 10 O 0.51086137470355 0.30345362412367 0.21083469800150 15.999 > 3 11 O 0.01086137470355 0.30345362412367 0.71083469800150 15.999 > 3 12 O 0.51086137470355 0.30345362412367 0.71083469800150 15.999 > 3 13 O 0.48913862529645 0.80345362412367 0.28916530199850 15.999 > 4 14 O 0.98913862529645 0.80345362412367 0.28916530199850 15.999 > 4 15 O 0.48913862529645 0.80345362412367 0.78916530199850 15.999 > 4 16 O 0.98913862529645 0.80345362412367 0.78916530199850 15.999 > 4 *17 O 0.26156260319070 0.84306690306157 0.42656938253343 15.999 > 5 18 O 0.76156260319070 0.84306690306157 0.42656938253343 15.999 > 5 19 O 0.26156260319070 0.84306690306157 0.92656938253343 15.999 > 5 20 O 0.76156260319070 0.84306690306157 0.92656938253343 15.999 > 5 21 O 0.23843739680930 0.34306690306157 0.07343061746657 15.999 > 6 22 O 0.73843739680930 0.34306690306157 0.07343061746657 15.999 > 6 23 O 0.23843739680930 0.34306690306157 0.57343061746657 15.999 > 6 24 O 0.73843739680930 0.34306690306157 0.57343061746657 15.999 > 6 *25 O 0.26776197126189 0.13955933130254 0.38877703684768 15.999 > 7 26 O 0.76776197126189 0.13955933130254 0.38877703684768 15.999 > 7 27 O 0.26776197126189 0.13955933130254 0.88877703684768 15.999 > 7 28 O 0.76776197126189 0.13955933130254 0.88877703684768 15.999 > 7 29 O 0.23223802873811 0.63955933130254 0.11122296315232 15.999 > 8 30 O 0.73223802873811 0.63955933130254 0.11122296315232 15.999 > 8 31 O 0.23223802873811 0.63955933130254 0.61122296315232 15.999 > 8 32 O 0.73223802873811 0.63955933130254 0.61122296315232 15.999 > 8 *33 O 0.41124164514020 0.98497824219607 0.41999273997220 15.999 > 9 34 O 0.91124164514020 0.98497824219607 0.41999273997220 15.999 > 9 35 O 0.41124164514020 0.98497824219607 0.91999273997220 15.999 > 9 36 O 0.91124164514020 0.98497824219607 0.91999273997220 15.999 > 9 37 O 0.08875835485980 0.48497824219607 0.08000726002780 15.999 > 10 38 O 0.58875835485980 0.48497824219607 0.08000726002780 15.999 > 10 39 O 0.08875835485980 0.48497824219607 0.58000726002780 15.999 > 10 40 O 0.58875835485980 0.48497824219607 0.58000726002780 15.999 > 10 *41 O 0.48196079170983 0.19738942774874 0.01774490980820 15.999 > 11 42 O 0.98196079170983 0.19738942774874 0.01774490980820 15.999 > 11 43 O 0.48196079170983 0.19738942774874 0.51774490980820 15.999 > 11 44 O 0.98196079170983 0.19738942774874 0.51774490980820 15.999 > 11 45 O 0.01803920829017 0.69738942774874 0.48225509019180 15.999 > 12 46 O 0.51803920829017 0.69738942774874 0.48225509019180 15.999 > 12 47 O 0.01803920829017 0.69738942774874 0.98225509019180 15.999 > 12 48 O 0.51803920829017 0.69738942774874 0.98225509019180 15.999 > 12 *49 O 0.45557449060210 0.99731015271433 0.16359342720000 15.999 > 13 50 O 0.95557449060210 0.99731015271433 0.16359342720000 15.999 > 13 51 O 0.45557449060210 0.99731015271433 0.66359342720000 15.999 > 13 52 O 0.95557449060210 0.99731015271433 0.66359342720000 15.999 > 13 53 O 0.04442550939790 0.49731015271433 0.33640657280000 15.999 > 14 54 O 0.54442550939790 0.49731015271433 0.33640657280000 15.999 > 14 55 O 0.04442550939790 0.49731015271433 0.83640657280000 15.999 > 14 56 O 0.54442550939790 0.49731015271433 0.83640657280000 15.999 > 14 *57 O 0.34503978622455 0.78143557850939 0.19655156399965 15.999 > 15 58 O 0.84503978622455 0.78143557850939 0.19655156399965 15.999 > 15 59 O 0.34503978622455 0.78143557850939 0.69655156399965 15.999 > 15 60 O 0.84503978622455 0.78143557850939 0.69655156399965 15.999 > 15 61 O 0.15496021377545 0.28143557850939 0.30344843600035 15.999 > 16 62 O 0.65496021377545 0.28143557850939 0.30344843600035 15.999 > 16 63 O 0.15496021377545 0.28143557850939 0.80344843600035 15.999 > 16 64 O 0.65496021377545 0.28143557850939 0.80344843600035 15.999 > 16 *65 O 0.00522390303460 0.70991942236520 0.14193877855406 15.999 > 17 66 O 0.50522390303460 0.70991942236520 0.14193877855406 15.999 > 17 67 O 0.00522390303460 0.70991942236520 0.64193877855406 15.999 > 17 68 O 0.50522390303460 0.70991942236520 0.64193877855406 15.999 > 17 69 O 0.49477609696540 0.20991942236520 0.35806122144594 15.999 > 18 70 O 0.99477609696540 0.20991942236520 0.35806122144594 15.999 > 18 71 O 0.49477609696540 0.20991942236520 0.85806122144594 15.999 > 18 72 O 0.99477609696540 0.20991942236520 0.85806122144594 15.999 > 18 *73 O 0.41743428424399 0.49462579656680 0.05819185338766 15.999 > 19 74 O 0.91743428424399 0.49462579656680 0.05819185338766 15.999 > 19 75 O 0.41743428424399 0.49462579656680 0.55819185338766 15.999 > 19 76 O 0.91743428424399 0.49462579656680 0.55819185338766 15.999 > 19 77 O 0.08256571575601 0.99462579656680 0.44180814661234 15.999 > 20 78 O 0.58256571575601 0.99462579656680 0.44180814661234 15.999 > 20 79 O 0.08256571575601 0.99462579656680 0.94180814661234 15.999 > 20 80 O 0.58256571575601 0.99462579656680 0.94180814661234 15.999 > 20 *81 O 0.33997704325018 0.47614397669458 0.21354125159603 15.999 > 21 82 O 0.83997704325017 0.47614397669458 0.21354125159603 15.999 > 21 83 O 0.33997704325018 0.47614397669458 0.71354125159603 15.999 > 21 84 O 0.83997704325017 0.47614397669458 0.71354125159603 15.999 > 21 85 O 0.16002295674983 0.97614397669458 0.28645874840397 15.999 > 22 86 O 0.66002295674983 0.97614397669458 0.28645874840397 15.999 > 22 87 O 0.16002295674983 0.97614397669458 0.78645874840397 15.999 > 22 88 O 0.66002295674983 0.97614397669458 0.78645874840397 15.999 > 22 *89 O 0.21348910719491 0.65223714442552 0.27051535954232 15.999 > 23 90 O 0.71348910719491 0.65223714442552 0.27051535954232 15.999 > 23 91 O 0.21348910719491 0.65223714442552 0.77051535954232 15.999 > 23 92 O 0.71348910719491 0.65223714442552 0.77051535954232 15.999 > 23 93 O 0.28651089280509 0.15223714442552 0.22948464045768 15.999 > 24 94 O 0.78651089280509 0.15223714442552 0.22948464045768 15.999 > 24 95 O 0.28651089280509 0.15223714442552 0.72948464045768 15.999 > 24 96 O 0.78651089280509 0.15223714442552 0.72948464045768 15.999 > 24 *97 P 0.49821615071379 0.09806394211161 0.44030542487738 30.974 > 25 98 P 0.99821615071379 0.09806394211161 0.44030542487738 30.974 > 25 99 P 0.49821615071379 0.09806394211161 0.94030542487738 30.974 > 25 100 P 0.99821615071379 0.09806394211161 0.94030542487738 30.974 > 25 101 P 0.00178384928621 0.59806394211161 0.05969457512262 30.974 > 26 102 P 0.50178384928621 0.59806394211161 0.05969457512262 30.974 > 26 103 P 0.00178384928621 0.59806394211161 0.55969457512262 30.974 > 26 104 P 0.50178384928621 0.59806394211161 0.55969457512262 30.974 > 26 *105 P 0.30707038187532 0.99852987188424 0.44992987163248 30.974 > 27 106 P 0.80707038187532 0.99852987188424 0.44992987163248 30.974 > 27 107 P 0.30707038187532 0.99852987188424 0.94992987163248 30.974 > 27 108 P 0.80707038187532 0.99852987188424 0.94992987163248 30.974 > 27 109 P 0.19292961812468 0.49852987188424 0.05007012836752 30.974 > 28 110 P 0.69292961812468 0.49852987188424 0.05007012836752 30.974 > 28 111 P 0.19292961812468 0.49852987188424 0.55007012836752 30.974 > 28 112 P 0.69292961812468 0.49852987188424 0.55007012836752 30.974 > 28 *113 P 0.21783271618923 0.12391130339900 0.29689212004374 30.974 > 29 114 P 0.71783271618923 0.12391130339900 0.29689212004374 30.974 > 29 115 P 0.21783271618923 0.12391130339900 0.79689212004374 30.974 > 29 116 P 0.71783271618923 0.12391130339900 0.79689212004374 30.974 > 29 117 P 0.28216728381077 0.62391130339900 0.20310787995626 30.974 > 30 118 P 0.78216728381077 0.62391130339900 0.20310787995626 30.974 > 30 119 P 0.28216728381077 0.62391130339900 0.70310787995626 30.974 > 30 120 P 0.78216728381077 0.62391130339900 0.70310787995626 30.974 > 30 *121 P 0.04902410825889 0.33317719130056 0.29854115132550 30.974 > 31 122 P 0.54902410825889 0.33317719130056 0.29854115132550 30.974 > 31 123 P 0.04902410825889 0.33317719130056 0.79854115132550 30.974 > 31 124 P 0.54902410825889 0.33317719130056 0.79854115132550 30.974 > 31 125 P 0.45097589174111 0.83317719130056 0.20145884867450 30.974 > 32 126 P 0.95097589174111 0.83317719130056 0.20145884867450 30.974 > 32 127 P 0.45097589174111 0.83317719130056 0.70145884867450 30.974 > 32 128 P 0.95097589174111 0.83317719130056 0.70145884867450 30.974 > 32 *129 K 0.13345084517210 0.06381589225453 0.10945844290565 39.098 > 33 130 K 0.63345084517210 0.06381589225453 0.10945844290565 39.098 > 33 131 K 0.13345084517210 0.06381589225453 0.60945844290565 39.098 > 33 132 K 0.63345084517210 0.06381589225453 0.60945844290565 39.098 > 33 133 K 0.36654915482790 0.56381589225453 0.39054155709435 39.098 > 34 134 K 0.86654915482790 0.56381589225453 0.39054155709435 39.098 > 34 135 K 0.36654915482790 0.56381589225453 0.89054155709435 39.098 > 34 136 K 0.86654915482790 0.56381589225453 0.89054155709435 39.098 > 34 *137 Tb 0.11879238853607 0.74940619400595 0.37147688609743 158.925 > 35 138 Tb 0.61879238853607 0.74940619400595 0.37147688609743 158.925 > 35 139 Tb 0.11879238853607 0.74940619400595 0.87147688609743 158.925 > 35 140 Tb 0.61879238853607 0.74940619400595 0.87147688609743 158.925 > 35 141 Tb 0.38120761146393 0.24940619400595 0.12852311390257 158.925 > 36 142 Tb 0.88120761146393 0.24940619400595 0.12852311390257 158.925 > 36 143 Tb 0.38120761146393 0.24940619400595 0.62852311390257 158.925 > 36 144 Tb 0.88120761146393 0.24940619400595 0.62852311390257 158.925 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7521821 0.0000000 -0.0100040 0.0000000 2.6922694 0.0000000 -0.0100043 0.0000000 2.7549690 -------------------------- Born effective charges -------------------------- 1 O -1.2354307 -0.1757649 -0.0912797 -0.1806095 -1.2924027 -0.5555008 -0.1775133 -0.6545225 -2.1357728 2 O -1.2354307 0.1757649 -0.0912797 0.1806095 -1.2924027 0.5555008 -0.1775133 0.6545225 -2.1357728 3 O -1.6410173 -0.2090948 -0.8034963 -0.0291228 -1.1522497 -0.1162432 -0.7845617 -0.2736509 -2.2004694 4 O -1.6410173 0.2090948 -0.8034963 0.0291228 -1.1522497 0.1162432 -0.7845617 0.2736509 -2.2004694 5 O -1.7194405 -0.5210293 -0.3487943 -0.6217097 -1.7958493 -0.3612153 -0.3213791 -0.1891935 -1.1548266 6 O -1.7194405 0.5210293 -0.3487943 0.6217097 -1.7958493 0.3612153 -0.3213791 0.1891935 -1.1548266 7 O -1.4434271 0.3165884 -0.9786442 0.1664304 -1.2694484 0.5495624 -0.7580392 0.5637900 -2.3906672 8 O -1.4434271 -0.3165884 -0.9786442 -0.1664304 -1.2694484 -0.5495624 -0.7580392 -0.5637900 -2.3906672 9 O -3.0191144 -0.5927105 0.1431478 -0.5020302 -1.1055844 -0.1528905 0.0871032 -0.1084684 -1.0041122 10 O -3.0191144 0.5927105 0.1431478 0.5020302 -1.1055844 0.1528905 0.0871032 0.1084684 -1.0041122 11 O -1.3732933 0.1292514 0.4246774 0.2702783 -1.2937428 -0.4524031 0.5223996 -0.6034906 -2.1557778 12 O -1.3732933 -0.1292514 0.4246774 -0.2702783 -1.2937428 0.4524031 0.5223996 0.6034906 -2.1557778 13 O -1.1580452 0.2152168 -0.0885205 0.1457115 -2.3843265 0.5582308 -0.0310940 0.3668817 -1.2413628 14 O -1.1580452 -0.2152168 -0.0885205 -0.1457115 -2.3843265 -0.5582308 -0.0310940 -0.3668817 -1.2413628 15 O -2.6379384 -1.1632345 0.0054695 -1.0378872 -1.8021986 0.0146394 0.0763147 -0.0095712 -0.8711676 16 O -2.6379384 1.1632345 0.0054695 1.0378872 -1.8021986 -0.0146394 0.0763147 0.0095712 -0.8711676 17 O -1.1950751 0.5774396 0.6443311 0.3046797 -1.9255279 -1.1993087 0.5189918 -1.2349459 -2.3239953 18 O -1.1950751 -0.5774396 0.6443311 -0.3046797 -1.9255279 1.1993087 0.5189918 1.2349459 -2.3239953 19 O -1.7071203 -0.6206305 0.2104379 -0.6231536 -1.7601236 0.2129060 0.1032158 0.2080351 -1.2526128 20 O -1.7071203 0.6206305 0.2104379 0.6231536 -1.7601236 -0.2129060 0.1032158 -0.2080351 -1.2526128 21 O -1.3439761 0.3777092 0.0982531 0.5550687 -1.9247826 -0.2316465 0.0785077 -0.2013177 -1.2557616 22 O -1.3439761 -0.3777092 0.0982531 -0.5550687 -1.9247826 0.2316465 0.0785077 0.2013177 -1.2557616 23 O -1.9123250 0.3006492 0.8641257 0.3330935 -1.1530594 -0.4420347 0.9694650 -0.3901644 -2.0523765 24 O -1.9123250 -0.3006492 0.8641257 -0.3330935 -1.1530594 0.4420347 0.9694650 0.3901644 -2.0523765 25 P 3.6643039 0.3862137 -0.3995119 -0.3228135 3.2802670 -0.2838385 -0.2425273 -0.0388819 3.7087538 26 P 3.6643039 -0.3862137 -0.3995119 0.3228135 3.2802670 0.2838385 -0.2425273 0.0388819 3.7087538 27 P 3.8817686 -0.0225774 0.2946749 0.3999049 2.9955211 0.2347236 0.4017506 -0.2075386 3.5762861 28 P 3.8817686 0.0225774 0.2946749 -0.3999049 2.9955211 -0.2347236 0.4017506 0.2075386 3.5762861 29 P 3.7528536 -0.4293063 -0.0386884 0.0195764 3.2572979 -0.3907624 -0.2693350 -0.1075611 3.6155217 30 P 3.7528536 0.4293063 -0.0386884 -0.0195764 3.2572979 0.3907624 -0.2693350 0.1075611 3.6155217 31 P 3.6478851 0.1755447 0.3532043 -0.3438612 3.8215862 -0.1075386 -0.2228683 -0.2691267 3.6505104 32 P 3.6478851 -0.1755447 0.3532043 0.3438612 3.8215862 0.1075386 -0.2228683 0.2691267 3.6505104 33 K 1.2967892 0.0179795 0.0254273 0.1062555 1.1107856 -0.0296744 -0.0251318 0.0048581 1.2946776 34 K 1.2967892 -0.0179795 0.0254273 -0.1062555 1.1107856 0.0296744 -0.0251318 -0.0048581 1.2946776 35 Tb 4.1426029 -0.1408460 -0.3148134 0.4490434 4.3938383 0.0069230 0.0747013 -0.2187915 4.1931532 36 Tb 4.1426029 0.1408460 -0.3148134 -0.4490434 4.3938383 -0.0069230 0.0747013 0.2187915 4.1931532 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.052 Solver_block: 100 / 2160 - Time: 8.363 Solver_block: 200 / 2160 - Time: 5.174 Solver_block: 300 / 2160 - Time: 7.939 Solver_block: 400 / 2160 - Time: 8.100 Solver_block: 500 / 2160 - Time: 7.990 Solver_block: 600 / 2160 - Time: 8.556 Solver_block: 700 / 2160 - Time: 6.264 Solver_block: 800 / 2160 - Time: 7.995 Solver_block: 900 / 2160 - Time: 7.563 Solver_block: 1000 / 2160 - Time: 8.809 Solver_block: 1100 / 2160 - Time: 8.241 Solver_block: 1200 / 2160 - Time: 8.055 Solver_block: 1300 / 2160 - Time: 9.661 Solver_block: 1400 / 2160 - Time: 8.351 Solver_block: 1500 / 2160 - Time: 8.696 Solver_block: 1600 / 2160 - Time: 8.041 Solver_block: 1700 / 2160 - Time: 8.224 Solver_block: 1800 / 2160 - Time: 8.668 Solver_block: 1900 / 2160 - Time: 8.683 Solver_block: 2000 / 2160 - Time: 5.697 Solver_block: 2100 / 2160 - Time: 8.388 Solver_block: 2160 / 2160 - Time: 4.516 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 176.970 --------------------------------- 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: 11880 Number of blocks in projector: 11880 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:28:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:28:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.270506630006154 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.213976851264485 0.000000000000000 7.886320311591276 Atomic positions (fractional): 1 O 0.61063938974683 0.05637609533569 0.07887337707406 15.999 2 O 0.38936061025317 0.55637609533569 0.92112662292594 15.999 3 O 0.02172274940710 0.30345362412367 0.42166939600300 15.999 4 O 0.97827725059290 0.80345362412367 0.57833060399700 15.999 5 O 0.52312520638141 0.84306690306157 0.85313876506685 15.999 6 O 0.47687479361859 0.34306690306157 0.14686123493315 15.999 7 O 0.53552394252379 0.13955933130254 0.77755407369536 15.999 8 O 0.46447605747621 0.63955933130254 0.22244592630464 15.999 9 O 0.82248329028039 0.98497824219607 0.83998547994441 15.999 10 O 0.17751670971961 0.48497824219607 0.16001452005559 15.999 11 O 0.96392158341965 0.19738942774874 0.03548981961640 15.999 12 O 0.03607841658035 0.69738942774874 0.96451018038360 15.999 13 O 0.91114898120420 0.99731015271433 0.32718685440000 15.999 14 O 0.08885101879580 0.49731015271433 0.67281314560000 15.999 15 O 0.69007957244911 0.78143557850939 0.39310312799931 15.999 16 O 0.30992042755089 0.28143557850939 0.60689687200069 15.999 17 O 0.01044780606920 0.70991942236520 0.28387755710813 15.999 18 O 0.98955219393080 0.20991942236520 0.71612244289187 15.999 19 O 0.83486856848798 0.49462579656680 0.11638370677533 15.999 20 O 0.16513143151202 0.99462579656680 0.88361629322467 15.999 21 O 0.67995408650035 0.47614397669458 0.42708250319206 15.999 22 O 0.32004591349965 0.97614397669458 0.57291749680794 15.999 23 O 0.42697821438982 0.65223714442552 0.54103071908464 15.999 24 O 0.57302178561018 0.15223714442552 0.45896928091536 15.999 25 P 0.99643230142758 0.09806394211161 0.88061084975476 30.974 26 P 0.00356769857242 0.59806394211161 0.11938915024524 30.974 27 P 0.61414076375065 0.99852987188424 0.89985974326496 30.974 28 P 0.38585923624935 0.49852987188424 0.10014025673504 30.974 29 P 0.43566543237846 0.12391130339900 0.59378424008748 30.974 30 P 0.56433456762154 0.62391130339900 0.40621575991252 30.974 31 P 0.09804821651777 0.33317719130056 0.59708230265101 30.974 32 P 0.90195178348223 0.83317719130056 0.40291769734900 30.974 33 K 0.26690169034420 0.06381589225453 0.21891688581131 39.098 34 K 0.73309830965580 0.56381589225453 0.78108311418869 39.098 35 Tb 0.23758477707213 0.74940619400595 0.74295377219485 158.925 36 Tb 0.76241522292787 0.24940619400595 0.25704622780515 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.541013260012308 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.427953702528970 0.000000000000000 15.772640623182552 Atomic positions (fractional): 1 O 0.30531969487341 0.05637609533569 0.03943668853703 15.999 > 1 2 O 0.80531969487341 0.05637609533569 0.03943668853703 15.999 > 1 3 O 0.30531969487341 0.05637609533569 0.53943668853703 15.999 > 1 4 O 0.80531969487341 0.05637609533569 0.53943668853703 15.999 > 1 5 O 0.19468030512659 0.55637609533569 0.46056331146297 15.999 > 5 6 O 0.69468030512659 0.55637609533569 0.46056331146297 15.999 > 5 7 O 0.19468030512659 0.55637609533569 0.96056331146297 15.999 > 5 8 O 0.69468030512659 0.55637609533569 0.96056331146297 15.999 > 5 9 O 0.01086137470355 0.30345362412367 0.21083469800150 15.999 > 9 10 O 0.51086137470355 0.30345362412367 0.21083469800150 15.999 > 9 11 O 0.01086137470355 0.30345362412367 0.71083469800150 15.999 > 9 12 O 0.51086137470355 0.30345362412367 0.71083469800150 15.999 > 9 13 O 0.48913862529645 0.80345362412367 0.28916530199850 15.999 > 13 14 O 0.98913862529645 0.80345362412367 0.28916530199850 15.999 > 13 15 O 0.48913862529645 0.80345362412367 0.78916530199850 15.999 > 13 16 O 0.98913862529645 0.80345362412367 0.78916530199850 15.999 > 13 17 O 0.26156260319070 0.84306690306157 0.42656938253343 15.999 > 17 18 O 0.76156260319070 0.84306690306157 0.42656938253343 15.999 > 17 19 O 0.26156260319070 0.84306690306157 0.92656938253343 15.999 > 17 20 O 0.76156260319070 0.84306690306157 0.92656938253343 15.999 > 17 21 O 0.23843739680930 0.34306690306157 0.07343061746657 15.999 > 21 22 O 0.73843739680930 0.34306690306157 0.07343061746657 15.999 > 21 23 O 0.23843739680930 0.34306690306157 0.57343061746657 15.999 > 21 24 O 0.73843739680930 0.34306690306157 0.57343061746657 15.999 > 21 25 O 0.26776197126189 0.13955933130254 0.38877703684768 15.999 > 25 26 O 0.76776197126189 0.13955933130254 0.38877703684768 15.999 > 25 27 O 0.26776197126189 0.13955933130254 0.88877703684768 15.999 > 25 28 O 0.76776197126189 0.13955933130254 0.88877703684768 15.999 > 25 29 O 0.23223802873811 0.63955933130254 0.11122296315232 15.999 > 29 30 O 0.73223802873811 0.63955933130254 0.11122296315232 15.999 > 29 31 O 0.23223802873811 0.63955933130254 0.61122296315232 15.999 > 29 32 O 0.73223802873811 0.63955933130254 0.61122296315232 15.999 > 29 33 O 0.41124164514020 0.98497824219607 0.41999273997220 15.999 > 33 34 O 0.91124164514020 0.98497824219607 0.41999273997220 15.999 > 33 35 O 0.41124164514020 0.98497824219607 0.91999273997220 15.999 > 33 36 O 0.91124164514020 0.98497824219607 0.91999273997220 15.999 > 33 37 O 0.08875835485980 0.48497824219607 0.08000726002780 15.999 > 37 38 O 0.58875835485980 0.48497824219607 0.08000726002780 15.999 > 37 39 O 0.08875835485980 0.48497824219607 0.58000726002780 15.999 > 37 40 O 0.58875835485980 0.48497824219607 0.58000726002780 15.999 > 37 41 O 0.48196079170983 0.19738942774874 0.01774490980820 15.999 > 41 42 O 0.98196079170983 0.19738942774874 0.01774490980820 15.999 > 41 43 O 0.48196079170983 0.19738942774874 0.51774490980820 15.999 > 41 44 O 0.98196079170983 0.19738942774874 0.51774490980820 15.999 > 41 45 O 0.01803920829017 0.69738942774874 0.48225509019180 15.999 > 45 46 O 0.51803920829017 0.69738942774874 0.48225509019180 15.999 > 45 47 O 0.01803920829017 0.69738942774874 0.98225509019180 15.999 > 45 48 O 0.51803920829017 0.69738942774874 0.98225509019180 15.999 > 45 49 O 0.45557449060210 0.99731015271433 0.16359342720000 15.999 > 49 50 O 0.95557449060210 0.99731015271433 0.16359342720000 15.999 > 49 51 O 0.45557449060210 0.99731015271433 0.66359342720000 15.999 > 49 52 O 0.95557449060210 0.99731015271433 0.66359342720000 15.999 > 49 53 O 0.04442550939790 0.49731015271433 0.33640657280000 15.999 > 53 54 O 0.54442550939790 0.49731015271433 0.33640657280000 15.999 > 53 55 O 0.04442550939790 0.49731015271433 0.83640657280000 15.999 > 53 56 O 0.54442550939790 0.49731015271433 0.83640657280000 15.999 > 53 57 O 0.34503978622455 0.78143557850939 0.19655156399965 15.999 > 57 58 O 0.84503978622455 0.78143557850939 0.19655156399965 15.999 > 57 59 O 0.34503978622455 0.78143557850939 0.69655156399965 15.999 > 57 60 O 0.84503978622455 0.78143557850939 0.69655156399965 15.999 > 57 61 O 0.15496021377545 0.28143557850939 0.30344843600035 15.999 > 61 62 O 0.65496021377545 0.28143557850939 0.30344843600035 15.999 > 61 63 O 0.15496021377545 0.28143557850939 0.80344843600035 15.999 > 61 64 O 0.65496021377545 0.28143557850939 0.80344843600035 15.999 > 61 65 O 0.00522390303460 0.70991942236520 0.14193877855406 15.999 > 65 66 O 0.50522390303460 0.70991942236520 0.14193877855406 15.999 > 65 67 O 0.00522390303460 0.70991942236520 0.64193877855406 15.999 > 65 68 O 0.50522390303460 0.70991942236520 0.64193877855406 15.999 > 65 69 O 0.49477609696540 0.20991942236520 0.35806122144594 15.999 > 69 70 O 0.99477609696540 0.20991942236520 0.35806122144594 15.999 > 69 71 O 0.49477609696540 0.20991942236520 0.85806122144594 15.999 > 69 72 O 0.99477609696540 0.20991942236520 0.85806122144594 15.999 > 69 73 O 0.41743428424399 0.49462579656680 0.05819185338766 15.999 > 73 74 O 0.91743428424399 0.49462579656680 0.05819185338766 15.999 > 73 75 O 0.41743428424399 0.49462579656680 0.55819185338766 15.999 > 73 76 O 0.91743428424399 0.49462579656680 0.55819185338766 15.999 > 73 77 O 0.08256571575601 0.99462579656680 0.44180814661234 15.999 > 77 78 O 0.58256571575601 0.99462579656680 0.44180814661234 15.999 > 77 79 O 0.08256571575601 0.99462579656680 0.94180814661234 15.999 > 77 80 O 0.58256571575601 0.99462579656680 0.94180814661234 15.999 > 77 81 O 0.33997704325018 0.47614397669458 0.21354125159603 15.999 > 81 82 O 0.83997704325017 0.47614397669458 0.21354125159603 15.999 > 81 83 O 0.33997704325018 0.47614397669458 0.71354125159603 15.999 > 81 84 O 0.83997704325017 0.47614397669458 0.71354125159603 15.999 > 81 85 O 0.16002295674983 0.97614397669458 0.28645874840397 15.999 > 85 86 O 0.66002295674983 0.97614397669458 0.28645874840397 15.999 > 85 87 O 0.16002295674983 0.97614397669458 0.78645874840397 15.999 > 85 88 O 0.66002295674983 0.97614397669458 0.78645874840397 15.999 > 85 89 O 0.21348910719491 0.65223714442552 0.27051535954232 15.999 > 89 90 O 0.71348910719491 0.65223714442552 0.27051535954232 15.999 > 89 91 O 0.21348910719491 0.65223714442552 0.77051535954232 15.999 > 89 92 O 0.71348910719491 0.65223714442552 0.77051535954232 15.999 > 89 93 O 0.28651089280509 0.15223714442552 0.22948464045768 15.999 > 93 94 O 0.78651089280509 0.15223714442552 0.22948464045768 15.999 > 93 95 O 0.28651089280509 0.15223714442552 0.72948464045768 15.999 > 93 96 O 0.78651089280509 0.15223714442552 0.72948464045768 15.999 > 93 97 P 0.49821615071379 0.09806394211161 0.44030542487738 30.974 > 97 98 P 0.99821615071379 0.09806394211161 0.44030542487738 30.974 > 97 99 P 0.49821615071379 0.09806394211161 0.94030542487738 30.974 > 97 100 P 0.99821615071379 0.09806394211161 0.94030542487738 30.974 > 97 101 P 0.00178384928621 0.59806394211161 0.05969457512262 30.974 > 101 102 P 0.50178384928621 0.59806394211161 0.05969457512262 30.974 > 101 103 P 0.00178384928621 0.59806394211161 0.55969457512262 30.974 > 101 104 P 0.50178384928621 0.59806394211161 0.55969457512262 30.974 > 101 105 P 0.30707038187532 0.99852987188424 0.44992987163248 30.974 > 105 106 P 0.80707038187532 0.99852987188424 0.44992987163248 30.974 > 105 107 P 0.30707038187532 0.99852987188424 0.94992987163248 30.974 > 105 108 P 0.80707038187532 0.99852987188424 0.94992987163248 30.974 > 105 109 P 0.19292961812468 0.49852987188424 0.05007012836752 30.974 > 109 110 P 0.69292961812468 0.49852987188424 0.05007012836752 30.974 > 109 111 P 0.19292961812468 0.49852987188424 0.55007012836752 30.974 > 109 112 P 0.69292961812468 0.49852987188424 0.55007012836752 30.974 > 109 113 P 0.21783271618923 0.12391130339900 0.29689212004374 30.974 > 113 114 P 0.71783271618923 0.12391130339900 0.29689212004374 30.974 > 113 115 P 0.21783271618923 0.12391130339900 0.79689212004374 30.974 > 113 116 P 0.71783271618923 0.12391130339900 0.79689212004374 30.974 > 113 117 P 0.28216728381077 0.62391130339900 0.20310787995626 30.974 > 117 118 P 0.78216728381077 0.62391130339900 0.20310787995626 30.974 > 117 119 P 0.28216728381077 0.62391130339900 0.70310787995626 30.974 > 117 120 P 0.78216728381077 0.62391130339900 0.70310787995626 30.974 > 117 121 P 0.04902410825889 0.33317719130056 0.29854115132550 30.974 > 121 122 P 0.54902410825889 0.33317719130056 0.29854115132550 30.974 > 121 123 P 0.04902410825889 0.33317719130056 0.79854115132550 30.974 > 121 124 P 0.54902410825889 0.33317719130056 0.79854115132550 30.974 > 121 125 P 0.45097589174111 0.83317719130056 0.20145884867450 30.974 > 125 126 P 0.95097589174111 0.83317719130056 0.20145884867450 30.974 > 125 127 P 0.45097589174111 0.83317719130056 0.70145884867450 30.974 > 125 128 P 0.95097589174111 0.83317719130056 0.70145884867450 30.974 > 125 129 K 0.13345084517210 0.06381589225453 0.10945844290565 39.098 > 129 130 K 0.63345084517210 0.06381589225453 0.10945844290565 39.098 > 129 131 K 0.13345084517210 0.06381589225453 0.60945844290565 39.098 > 129 132 K 0.63345084517210 0.06381589225453 0.60945844290565 39.098 > 129 133 K 0.36654915482790 0.56381589225453 0.39054155709435 39.098 > 133 134 K 0.86654915482790 0.56381589225453 0.39054155709435 39.098 > 133 135 K 0.36654915482790 0.56381589225453 0.89054155709435 39.098 > 133 136 K 0.86654915482790 0.56381589225453 0.89054155709435 39.098 > 133 137 Tb 0.11879238853607 0.74940619400595 0.37147688609743 158.925 > 137 138 Tb 0.61879238853607 0.74940619400595 0.37147688609743 158.925 > 137 139 Tb 0.11879238853607 0.74940619400595 0.87147688609743 158.925 > 137 140 Tb 0.61879238853607 0.74940619400595 0.87147688609743 158.925 > 137 141 Tb 0.38120761146393 0.24940619400595 0.12852311390257 158.925 > 141 142 Tb 0.88120761146393 0.24940619400595 0.12852311390257 158.925 > 141 143 Tb 0.38120761146393 0.24940619400595 0.62852311390257 158.925 > 141 144 Tb 0.88120761146393 0.24940619400595 0.62852311390257 158.925 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7521821 0.0000000 -0.0100040 0.0000000 2.6922694 0.0000000 -0.0100043 0.0000000 2.7549690 -------------------------- Born effective charges -------------------------- 1 O -1.2354307 -0.1757649 -0.0912797 -0.1806095 -1.2924027 -0.5555008 -0.1775133 -0.6545225 -2.1357728 2 O -1.2354307 0.1757649 -0.0912797 0.1806095 -1.2924027 0.5555008 -0.1775133 0.6545225 -2.1357728 3 O -1.6410173 -0.2090948 -0.8034963 -0.0291228 -1.1522497 -0.1162432 -0.7845617 -0.2736509 -2.2004694 4 O -1.6410173 0.2090948 -0.8034963 0.0291228 -1.1522497 0.1162432 -0.7845617 0.2736509 -2.2004694 5 O -1.7194405 -0.5210293 -0.3487943 -0.6217097 -1.7958493 -0.3612153 -0.3213791 -0.1891935 -1.1548266 6 O -1.7194405 0.5210293 -0.3487943 0.6217097 -1.7958493 0.3612153 -0.3213791 0.1891935 -1.1548266 7 O -1.4434271 0.3165884 -0.9786442 0.1664304 -1.2694484 0.5495624 -0.7580392 0.5637900 -2.3906672 8 O -1.4434271 -0.3165884 -0.9786442 -0.1664304 -1.2694484 -0.5495624 -0.7580392 -0.5637900 -2.3906672 9 O -3.0191144 -0.5927105 0.1431478 -0.5020302 -1.1055844 -0.1528905 0.0871032 -0.1084684 -1.0041122 10 O -3.0191144 0.5927105 0.1431478 0.5020302 -1.1055844 0.1528905 0.0871032 0.1084684 -1.0041122 11 O -1.3732933 0.1292514 0.4246774 0.2702783 -1.2937428 -0.4524031 0.5223996 -0.6034906 -2.1557778 12 O -1.3732933 -0.1292514 0.4246774 -0.2702783 -1.2937428 0.4524031 0.5223996 0.6034906 -2.1557778 13 O -1.1580452 0.2152168 -0.0885205 0.1457115 -2.3843265 0.5582308 -0.0310940 0.3668817 -1.2413628 14 O -1.1580452 -0.2152168 -0.0885205 -0.1457115 -2.3843265 -0.5582308 -0.0310940 -0.3668817 -1.2413628 15 O -2.6379384 -1.1632345 0.0054695 -1.0378872 -1.8021986 0.0146394 0.0763147 -0.0095712 -0.8711676 16 O -2.6379384 1.1632345 0.0054695 1.0378872 -1.8021986 -0.0146394 0.0763147 0.0095712 -0.8711676 17 O -1.1950751 0.5774396 0.6443311 0.3046797 -1.9255279 -1.1993087 0.5189918 -1.2349459 -2.3239953 18 O -1.1950751 -0.5774396 0.6443311 -0.3046797 -1.9255279 1.1993087 0.5189918 1.2349459 -2.3239953 19 O -1.7071203 -0.6206305 0.2104379 -0.6231536 -1.7601236 0.2129060 0.1032158 0.2080351 -1.2526128 20 O -1.7071203 0.6206305 0.2104379 0.6231536 -1.7601236 -0.2129060 0.1032158 -0.2080351 -1.2526128 21 O -1.3439761 0.3777092 0.0982531 0.5550687 -1.9247826 -0.2316465 0.0785077 -0.2013177 -1.2557616 22 O -1.3439761 -0.3777092 0.0982531 -0.5550687 -1.9247826 0.2316465 0.0785077 0.2013177 -1.2557616 23 O -1.9123250 0.3006492 0.8641257 0.3330935 -1.1530594 -0.4420347 0.9694650 -0.3901644 -2.0523765 24 O -1.9123250 -0.3006492 0.8641257 -0.3330935 -1.1530594 0.4420347 0.9694650 0.3901644 -2.0523765 25 P 3.6643039 0.3862137 -0.3995119 -0.3228135 3.2802670 -0.2838385 -0.2425273 -0.0388819 3.7087538 26 P 3.6643039 -0.3862137 -0.3995119 0.3228135 3.2802670 0.2838385 -0.2425273 0.0388819 3.7087538 27 P 3.8817686 -0.0225774 0.2946749 0.3999049 2.9955211 0.2347236 0.4017506 -0.2075386 3.5762861 28 P 3.8817686 0.0225774 0.2946749 -0.3999049 2.9955211 -0.2347236 0.4017506 0.2075386 3.5762861 29 P 3.7528536 -0.4293063 -0.0386884 0.0195764 3.2572979 -0.3907624 -0.2693350 -0.1075611 3.6155217 30 P 3.7528536 0.4293063 -0.0386884 -0.0195764 3.2572979 0.3907624 -0.2693350 0.1075611 3.6155217 31 P 3.6478851 0.1755447 0.3532043 -0.3438612 3.8215862 -0.1075386 -0.2228683 -0.2691267 3.6505104 32 P 3.6478851 -0.1755447 0.3532043 0.3438612 3.8215862 0.1075386 -0.2228683 0.2691267 3.6505104 33 K 1.2967892 0.0179795 0.0254273 0.1062555 1.1107856 -0.0296744 -0.0251318 0.0048581 1.2946776 34 K 1.2967892 -0.0179795 0.0254273 -0.1062555 1.1107856 0.0296744 -0.0251318 -0.0048581 1.2946776 35 Tb 4.1426029 -0.1408460 -0.3148134 0.4490434 4.3938383 0.0069230 0.0747013 -0.2187915 4.1931532 36 Tb 4.1426029 0.1408460 -0.3148134 -0.4490434 4.3938383 -0.0069230 0.0747013 0.2187915 4.1931532 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 137, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:30:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:30:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.270506630006154 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.213976851264485 0.000000000000000 7.886320311591276 Atomic positions (fractional): 1 O 0.61063938974683 0.05637609533569 0.07887337707406 15.999 2 O 0.38936061025317 0.55637609533569 0.92112662292594 15.999 3 O 0.02172274940710 0.30345362412367 0.42166939600300 15.999 4 O 0.97827725059290 0.80345362412367 0.57833060399700 15.999 5 O 0.52312520638141 0.84306690306157 0.85313876506685 15.999 6 O 0.47687479361859 0.34306690306157 0.14686123493315 15.999 7 O 0.53552394252379 0.13955933130254 0.77755407369536 15.999 8 O 0.46447605747621 0.63955933130254 0.22244592630464 15.999 9 O 0.82248329028039 0.98497824219607 0.83998547994441 15.999 10 O 0.17751670971961 0.48497824219607 0.16001452005559 15.999 11 O 0.96392158341965 0.19738942774874 0.03548981961640 15.999 12 O 0.03607841658035 0.69738942774874 0.96451018038360 15.999 13 O 0.91114898120420 0.99731015271433 0.32718685440000 15.999 14 O 0.08885101879580 0.49731015271433 0.67281314560000 15.999 15 O 0.69007957244911 0.78143557850939 0.39310312799931 15.999 16 O 0.30992042755089 0.28143557850939 0.60689687200069 15.999 17 O 0.01044780606920 0.70991942236520 0.28387755710813 15.999 18 O 0.98955219393080 0.20991942236520 0.71612244289187 15.999 19 O 0.83486856848798 0.49462579656680 0.11638370677533 15.999 20 O 0.16513143151202 0.99462579656680 0.88361629322467 15.999 21 O 0.67995408650035 0.47614397669458 0.42708250319206 15.999 22 O 0.32004591349965 0.97614397669458 0.57291749680794 15.999 23 O 0.42697821438982 0.65223714442552 0.54103071908464 15.999 24 O 0.57302178561018 0.15223714442552 0.45896928091536 15.999 25 P 0.99643230142758 0.09806394211161 0.88061084975476 30.974 26 P 0.00356769857242 0.59806394211161 0.11938915024524 30.974 27 P 0.61414076375065 0.99852987188424 0.89985974326496 30.974 28 P 0.38585923624935 0.49852987188424 0.10014025673504 30.974 29 P 0.43566543237846 0.12391130339900 0.59378424008748 30.974 30 P 0.56433456762154 0.62391130339900 0.40621575991252 30.974 31 P 0.09804821651777 0.33317719130056 0.59708230265101 30.974 32 P 0.90195178348223 0.83317719130056 0.40291769734900 30.974 33 K 0.26690169034420 0.06381589225453 0.21891688581131 39.098 34 K 0.73309830965580 0.56381589225453 0.78108311418869 39.098 35 Tb 0.23758477707213 0.74940619400595 0.74295377219485 158.925 36 Tb 0.76241522292787 0.24940619400595 0.25704622780515 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.541013260012308 0.000000000000000 0.000000000000000 b 0.000000000000000 8.317195560000000 0.000000000000000 c -0.427953702528970 0.000000000000000 15.772640623182552 Atomic positions (fractional): 1 O 0.30531969487341 0.05637609533569 0.03943668853703 15.999 > 1 2 O 0.80531969487341 0.05637609533569 0.03943668853703 15.999 > 1 3 O 0.30531969487341 0.05637609533569 0.53943668853703 15.999 > 1 4 O 0.80531969487341 0.05637609533569 0.53943668853703 15.999 > 1 5 O 0.19468030512659 0.55637609533569 0.46056331146297 15.999 > 5 6 O 0.69468030512659 0.55637609533569 0.46056331146297 15.999 > 5 7 O 0.19468030512659 0.55637609533569 0.96056331146297 15.999 > 5 8 O 0.69468030512659 0.55637609533569 0.96056331146297 15.999 > 5 9 O 0.01086137470355 0.30345362412367 0.21083469800150 15.999 > 9 10 O 0.51086137470355 0.30345362412367 0.21083469800150 15.999 > 9 11 O 0.01086137470355 0.30345362412367 0.71083469800150 15.999 > 9 12 O 0.51086137470355 0.30345362412367 0.71083469800150 15.999 > 9 13 O 0.48913862529645 0.80345362412367 0.28916530199850 15.999 > 13 14 O 0.98913862529645 0.80345362412367 0.28916530199850 15.999 > 13 15 O 0.48913862529645 0.80345362412367 0.78916530199850 15.999 > 13 16 O 0.98913862529645 0.80345362412367 0.78916530199850 15.999 > 13 17 O 0.26156260319070 0.84306690306157 0.42656938253343 15.999 > 17 18 O 0.76156260319070 0.84306690306157 0.42656938253343 15.999 > 17 19 O 0.26156260319070 0.84306690306157 0.92656938253343 15.999 > 17 20 O 0.76156260319070 0.84306690306157 0.92656938253343 15.999 > 17 21 O 0.23843739680930 0.34306690306157 0.07343061746657 15.999 > 21 22 O 0.73843739680930 0.34306690306157 0.07343061746657 15.999 > 21 23 O 0.23843739680930 0.34306690306157 0.57343061746657 15.999 > 21 24 O 0.73843739680930 0.34306690306157 0.57343061746657 15.999 > 21 25 O 0.26776197126189 0.13955933130254 0.38877703684768 15.999 > 25 26 O 0.76776197126189 0.13955933130254 0.38877703684768 15.999 > 25 27 O 0.26776197126189 0.13955933130254 0.88877703684768 15.999 > 25 28 O 0.76776197126189 0.13955933130254 0.88877703684768 15.999 > 25 29 O 0.23223802873811 0.63955933130254 0.11122296315232 15.999 > 29 30 O 0.73223802873811 0.63955933130254 0.11122296315232 15.999 > 29 31 O 0.23223802873811 0.63955933130254 0.61122296315232 15.999 > 29 32 O 0.73223802873811 0.63955933130254 0.61122296315232 15.999 > 29 33 O 0.41124164514020 0.98497824219607 0.41999273997220 15.999 > 33 34 O 0.91124164514020 0.98497824219607 0.41999273997220 15.999 > 33 35 O 0.41124164514020 0.98497824219607 0.91999273997220 15.999 > 33 36 O 0.91124164514020 0.98497824219607 0.91999273997220 15.999 > 33 37 O 0.08875835485980 0.48497824219607 0.08000726002780 15.999 > 37 38 O 0.58875835485980 0.48497824219607 0.08000726002780 15.999 > 37 39 O 0.08875835485980 0.48497824219607 0.58000726002780 15.999 > 37 40 O 0.58875835485980 0.48497824219607 0.58000726002780 15.999 > 37 41 O 0.48196079170983 0.19738942774874 0.01774490980820 15.999 > 41 42 O 0.98196079170983 0.19738942774874 0.01774490980820 15.999 > 41 43 O 0.48196079170983 0.19738942774874 0.51774490980820 15.999 > 41 44 O 0.98196079170983 0.19738942774874 0.51774490980820 15.999 > 41 45 O 0.01803920829017 0.69738942774874 0.48225509019180 15.999 > 45 46 O 0.51803920829017 0.69738942774874 0.48225509019180 15.999 > 45 47 O 0.01803920829017 0.69738942774874 0.98225509019180 15.999 > 45 48 O 0.51803920829017 0.69738942774874 0.98225509019180 15.999 > 45 49 O 0.45557449060210 0.99731015271433 0.16359342720000 15.999 > 49 50 O 0.95557449060210 0.99731015271433 0.16359342720000 15.999 > 49 51 O 0.45557449060210 0.99731015271433 0.66359342720000 15.999 > 49 52 O 0.95557449060210 0.99731015271433 0.66359342720000 15.999 > 49 53 O 0.04442550939790 0.49731015271433 0.33640657280000 15.999 > 53 54 O 0.54442550939790 0.49731015271433 0.33640657280000 15.999 > 53 55 O 0.04442550939790 0.49731015271433 0.83640657280000 15.999 > 53 56 O 0.54442550939790 0.49731015271433 0.83640657280000 15.999 > 53 57 O 0.34503978622455 0.78143557850939 0.19655156399965 15.999 > 57 58 O 0.84503978622455 0.78143557850939 0.19655156399965 15.999 > 57 59 O 0.34503978622455 0.78143557850939 0.69655156399965 15.999 > 57 60 O 0.84503978622455 0.78143557850939 0.69655156399965 15.999 > 57 61 O 0.15496021377545 0.28143557850939 0.30344843600035 15.999 > 61 62 O 0.65496021377545 0.28143557850939 0.30344843600035 15.999 > 61 63 O 0.15496021377545 0.28143557850939 0.80344843600035 15.999 > 61 64 O 0.65496021377545 0.28143557850939 0.80344843600035 15.999 > 61 65 O 0.00522390303460 0.70991942236520 0.14193877855406 15.999 > 65 66 O 0.50522390303460 0.70991942236520 0.14193877855406 15.999 > 65 67 O 0.00522390303460 0.70991942236520 0.64193877855406 15.999 > 65 68 O 0.50522390303460 0.70991942236520 0.64193877855406 15.999 > 65 69 O 0.49477609696540 0.20991942236520 0.35806122144594 15.999 > 69 70 O 0.99477609696540 0.20991942236520 0.35806122144594 15.999 > 69 71 O 0.49477609696540 0.20991942236520 0.85806122144594 15.999 > 69 72 O 0.99477609696540 0.20991942236520 0.85806122144594 15.999 > 69 73 O 0.41743428424399 0.49462579656680 0.05819185338766 15.999 > 73 74 O 0.91743428424399 0.49462579656680 0.05819185338766 15.999 > 73 75 O 0.41743428424399 0.49462579656680 0.55819185338766 15.999 > 73 76 O 0.91743428424399 0.49462579656680 0.55819185338766 15.999 > 73 77 O 0.08256571575601 0.99462579656680 0.44180814661234 15.999 > 77 78 O 0.58256571575601 0.99462579656680 0.44180814661234 15.999 > 77 79 O 0.08256571575601 0.99462579656680 0.94180814661234 15.999 > 77 80 O 0.58256571575601 0.99462579656680 0.94180814661234 15.999 > 77 81 O 0.33997704325018 0.47614397669458 0.21354125159603 15.999 > 81 82 O 0.83997704325017 0.47614397669458 0.21354125159603 15.999 > 81 83 O 0.33997704325018 0.47614397669458 0.71354125159603 15.999 > 81 84 O 0.83997704325017 0.47614397669458 0.71354125159603 15.999 > 81 85 O 0.16002295674983 0.97614397669458 0.28645874840397 15.999 > 85 86 O 0.66002295674983 0.97614397669458 0.28645874840397 15.999 > 85 87 O 0.16002295674983 0.97614397669458 0.78645874840397 15.999 > 85 88 O 0.66002295674983 0.97614397669458 0.78645874840397 15.999 > 85 89 O 0.21348910719491 0.65223714442552 0.27051535954232 15.999 > 89 90 O 0.71348910719491 0.65223714442552 0.27051535954232 15.999 > 89 91 O 0.21348910719491 0.65223714442552 0.77051535954232 15.999 > 89 92 O 0.71348910719491 0.65223714442552 0.77051535954232 15.999 > 89 93 O 0.28651089280509 0.15223714442552 0.22948464045768 15.999 > 93 94 O 0.78651089280509 0.15223714442552 0.22948464045768 15.999 > 93 95 O 0.28651089280509 0.15223714442552 0.72948464045768 15.999 > 93 96 O 0.78651089280509 0.15223714442552 0.72948464045768 15.999 > 93 97 P 0.49821615071379 0.09806394211161 0.44030542487738 30.974 > 97 98 P 0.99821615071379 0.09806394211161 0.44030542487738 30.974 > 97 99 P 0.49821615071379 0.09806394211161 0.94030542487738 30.974 > 97 100 P 0.99821615071379 0.09806394211161 0.94030542487738 30.974 > 97 101 P 0.00178384928621 0.59806394211161 0.05969457512262 30.974 > 101 102 P 0.50178384928621 0.59806394211161 0.05969457512262 30.974 > 101 103 P 0.00178384928621 0.59806394211161 0.55969457512262 30.974 > 101 104 P 0.50178384928621 0.59806394211161 0.55969457512262 30.974 > 101 105 P 0.30707038187532 0.99852987188424 0.44992987163248 30.974 > 105 106 P 0.80707038187532 0.99852987188424 0.44992987163248 30.974 > 105 107 P 0.30707038187532 0.99852987188424 0.94992987163248 30.974 > 105 108 P 0.80707038187532 0.99852987188424 0.94992987163248 30.974 > 105 109 P 0.19292961812468 0.49852987188424 0.05007012836752 30.974 > 109 110 P 0.69292961812468 0.49852987188424 0.05007012836752 30.974 > 109 111 P 0.19292961812468 0.49852987188424 0.55007012836752 30.974 > 109 112 P 0.69292961812468 0.49852987188424 0.55007012836752 30.974 > 109 113 P 0.21783271618923 0.12391130339900 0.29689212004374 30.974 > 113 114 P 0.71783271618923 0.12391130339900 0.29689212004374 30.974 > 113 115 P 0.21783271618923 0.12391130339900 0.79689212004374 30.974 > 113 116 P 0.71783271618923 0.12391130339900 0.79689212004374 30.974 > 113 117 P 0.28216728381077 0.62391130339900 0.20310787995626 30.974 > 117 118 P 0.78216728381077 0.62391130339900 0.20310787995626 30.974 > 117 119 P 0.28216728381077 0.62391130339900 0.70310787995626 30.974 > 117 120 P 0.78216728381077 0.62391130339900 0.70310787995626 30.974 > 117 121 P 0.04902410825889 0.33317719130056 0.29854115132550 30.974 > 121 122 P 0.54902410825889 0.33317719130056 0.29854115132550 30.974 > 121 123 P 0.04902410825889 0.33317719130056 0.79854115132550 30.974 > 121 124 P 0.54902410825889 0.33317719130056 0.79854115132550 30.974 > 121 125 P 0.45097589174111 0.83317719130056 0.20145884867450 30.974 > 125 126 P 0.95097589174111 0.83317719130056 0.20145884867450 30.974 > 125 127 P 0.45097589174111 0.83317719130056 0.70145884867450 30.974 > 125 128 P 0.95097589174111 0.83317719130056 0.70145884867450 30.974 > 125 129 K 0.13345084517210 0.06381589225453 0.10945844290565 39.098 > 129 130 K 0.63345084517210 0.06381589225453 0.10945844290565 39.098 > 129 131 K 0.13345084517210 0.06381589225453 0.60945844290565 39.098 > 129 132 K 0.63345084517210 0.06381589225453 0.60945844290565 39.098 > 129 133 K 0.36654915482790 0.56381589225453 0.39054155709435 39.098 > 133 134 K 0.86654915482790 0.56381589225453 0.39054155709435 39.098 > 133 135 K 0.36654915482790 0.56381589225453 0.89054155709435 39.098 > 133 136 K 0.86654915482790 0.56381589225453 0.89054155709435 39.098 > 133 137 Tb 0.11879238853607 0.74940619400595 0.37147688609743 158.925 > 137 138 Tb 0.61879238853607 0.74940619400595 0.37147688609743 158.925 > 137 139 Tb 0.11879238853607 0.74940619400595 0.87147688609743 158.925 > 137 140 Tb 0.61879238853607 0.74940619400595 0.87147688609743 158.925 > 137 141 Tb 0.38120761146393 0.24940619400595 0.12852311390257 158.925 > 141 142 Tb 0.88120761146393 0.24940619400595 0.12852311390257 158.925 > 141 143 Tb 0.38120761146393 0.24940619400595 0.62852311390257 158.925 > 141 144 Tb 0.88120761146393 0.24940619400595 0.62852311390257 158.925 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7521821 0.0000000 -0.0100040 0.0000000 2.6922694 0.0000000 -0.0100043 0.0000000 2.7549690 -------------------------- Born effective charges -------------------------- 1 O -1.2354307 -0.1757649 -0.0912797 -0.1806095 -1.2924027 -0.5555008 -0.1775133 -0.6545225 -2.1357728 2 O -1.2354307 0.1757649 -0.0912797 0.1806095 -1.2924027 0.5555008 -0.1775133 0.6545225 -2.1357728 3 O -1.6410173 -0.2090948 -0.8034963 -0.0291228 -1.1522497 -0.1162432 -0.7845617 -0.2736509 -2.2004694 4 O -1.6410173 0.2090948 -0.8034963 0.0291228 -1.1522497 0.1162432 -0.7845617 0.2736509 -2.2004694 5 O -1.7194405 -0.5210293 -0.3487943 -0.6217097 -1.7958493 -0.3612153 -0.3213791 -0.1891935 -1.1548266 6 O -1.7194405 0.5210293 -0.3487943 0.6217097 -1.7958493 0.3612153 -0.3213791 0.1891935 -1.1548266 7 O -1.4434271 0.3165884 -0.9786442 0.1664304 -1.2694484 0.5495624 -0.7580392 0.5637900 -2.3906672 8 O -1.4434271 -0.3165884 -0.9786442 -0.1664304 -1.2694484 -0.5495624 -0.7580392 -0.5637900 -2.3906672 9 O -3.0191144 -0.5927105 0.1431478 -0.5020302 -1.1055844 -0.1528905 0.0871032 -0.1084684 -1.0041122 10 O -3.0191144 0.5927105 0.1431478 0.5020302 -1.1055844 0.1528905 0.0871032 0.1084684 -1.0041122 11 O -1.3732933 0.1292514 0.4246774 0.2702783 -1.2937428 -0.4524031 0.5223996 -0.6034906 -2.1557778 12 O -1.3732933 -0.1292514 0.4246774 -0.2702783 -1.2937428 0.4524031 0.5223996 0.6034906 -2.1557778 13 O -1.1580452 0.2152168 -0.0885205 0.1457115 -2.3843265 0.5582308 -0.0310940 0.3668817 -1.2413628 14 O -1.1580452 -0.2152168 -0.0885205 -0.1457115 -2.3843265 -0.5582308 -0.0310940 -0.3668817 -1.2413628 15 O -2.6379384 -1.1632345 0.0054695 -1.0378872 -1.8021986 0.0146394 0.0763147 -0.0095712 -0.8711676 16 O -2.6379384 1.1632345 0.0054695 1.0378872 -1.8021986 -0.0146394 0.0763147 0.0095712 -0.8711676 17 O -1.1950751 0.5774396 0.6443311 0.3046797 -1.9255279 -1.1993087 0.5189918 -1.2349459 -2.3239953 18 O -1.1950751 -0.5774396 0.6443311 -0.3046797 -1.9255279 1.1993087 0.5189918 1.2349459 -2.3239953 19 O -1.7071203 -0.6206305 0.2104379 -0.6231536 -1.7601236 0.2129060 0.1032158 0.2080351 -1.2526128 20 O -1.7071203 0.6206305 0.2104379 0.6231536 -1.7601236 -0.2129060 0.1032158 -0.2080351 -1.2526128 21 O -1.3439761 0.3777092 0.0982531 0.5550687 -1.9247826 -0.2316465 0.0785077 -0.2013177 -1.2557616 22 O -1.3439761 -0.3777092 0.0982531 -0.5550687 -1.9247826 0.2316465 0.0785077 0.2013177 -1.2557616 23 O -1.9123250 0.3006492 0.8641257 0.3330935 -1.1530594 -0.4420347 0.9694650 -0.3901644 -2.0523765 24 O -1.9123250 -0.3006492 0.8641257 -0.3330935 -1.1530594 0.4420347 0.9694650 0.3901644 -2.0523765 25 P 3.6643039 0.3862137 -0.3995119 -0.3228135 3.2802670 -0.2838385 -0.2425273 -0.0388819 3.7087538 26 P 3.6643039 -0.3862137 -0.3995119 0.3228135 3.2802670 0.2838385 -0.2425273 0.0388819 3.7087538 27 P 3.8817686 -0.0225774 0.2946749 0.3999049 2.9955211 0.2347236 0.4017506 -0.2075386 3.5762861 28 P 3.8817686 0.0225774 0.2946749 -0.3999049 2.9955211 -0.2347236 0.4017506 0.2075386 3.5762861 29 P 3.7528536 -0.4293063 -0.0386884 0.0195764 3.2572979 -0.3907624 -0.2693350 -0.1075611 3.6155217 30 P 3.7528536 0.4293063 -0.0386884 -0.0195764 3.2572979 0.3907624 -0.2693350 0.1075611 3.6155217 31 P 3.6478851 0.1755447 0.3532043 -0.3438612 3.8215862 -0.1075386 -0.2228683 -0.2691267 3.6505104 32 P 3.6478851 -0.1755447 0.3532043 0.3438612 3.8215862 0.1075386 -0.2228683 0.2691267 3.6505104 33 K 1.2967892 0.0179795 0.0254273 0.1062555 1.1107856 -0.0296744 -0.0251318 0.0048581 1.2946776 34 K 1.2967892 -0.0179795 0.0254273 -0.1062555 1.1107856 0.0296744 -0.0251318 -0.0048581 1.2946776 35 Tb 4.1426029 -0.1408460 -0.3148134 0.4490434 4.3938383 0.0069230 0.0747013 -0.2187915 4.1931532 36 Tb 4.1426029 0.1408460 -0.3148134 -0.4490434 4.3938383 -0.0069230 0.0747013 0.2187915 4.1931532 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: -0.00000000 (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 ... [ 7 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.482 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 11.413 ( 0.000 0.000 0.000) 0.000 11.549 ( 0.000 0.000 0.000) 0.000 11.613 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.286 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.497 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 14.113 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 15.162 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.347 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 15.617 ( 0.000 0.000 0.000) 0.000 15.834 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 0.000) 0.000 17.025 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 19.428 ( 0.000 0.000 0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 21.116 ( 0.000 0.000 0.000) 0.000 21.231 ( 0.000 0.000 0.000) 0.000 21.656 ( 0.000 0.000 0.000) 0.000 22.928 ( 0.000 0.000 0.000) 0.000 23.129 ( 0.000 0.000 0.000) 0.000 26.401 ( 0.000 0.000 0.000) 0.000 26.409 ( 0.000 0.000 0.000) 0.000 29.323 ( 0.000 0.000 0.000) 0.000 29.526 ( 0.000 0.000 0.000) 0.000 30.156 ( 0.000 0.000 0.000) 0.000 30.622 ( 0.000 0.000 0.000) 0.000 31.098 ( 0.000 0.000 0.000) 0.000 31.247 ( 0.000 0.000 0.000) 0.000 31.456 ( 0.000 0.000 0.000) 0.000 31.489 ( 0.000 0.000 0.000) 0.000 32.517 ( 0.000 0.000 0.000) 0.000 32.593 ( 0.000 0.000 0.000) 0.000 32.678 ( 0.000 0.000 0.000) 0.000 32.690 ( 0.000 0.000 0.000) 0.000 33.935 ( 0.000 0.000 0.000) 0.000 34.219 ( 0.000 0.000 0.000) 0.000 35.193 ( 0.000 0.000 0.000) 0.000 35.437 ( 0.000 0.000 0.000) 0.000 35.767 ( 0.000 0.000 0.000) 0.000 35.841 ( 0.000 0.000 0.000) 0.000 36.210 ( 0.000 0.000 0.000) 0.000 36.295 ( 0.000 0.000 0.000) 0.000 36.472 ( 0.000 0.000 0.000) 0.000 38.643 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 30.691 0.000 -7.468) 31.587 0.749 ( 35.373 0.000 11.810) 37.292 0.995 ( 48.375 0.000 -7.180) 48.905 1.839 ( -4.109 0.000 0.121) 4.111 1.896 ( -0.691 0.000 0.509) 0.859 2.090 ( 0.795 0.000 -2.044) 2.193 2.339 ( 0.504 0.000 -5.537) 5.560 2.500 ( -3.559 0.000 0.878) 3.665 2.637 ( -10.153 0.000 4.026) 10.923 2.740 ( 5.811 0.000 2.056) 6.163 3.028 ( 2.020 0.000 1.613) 2.585 3.117 ( -7.123 0.000 -2.723) 7.626 3.257 ( 2.899 0.000 0.532) 2.948 3.459 ( 8.299 0.000 -3.262) 8.917 3.764 ( -5.550 0.000 3.621) 6.627 3.793 ( 2.467 0.000 2.871) 3.785 3.930 ( -7.469 0.000 -1.331) 7.587 4.164 ( 3.527 0.000 -1.349) 3.776 4.247 ( -2.689 0.000 3.480) 4.398 4.364 ( -1.175 0.000 -5.085) 5.219 4.492 ( -0.893 0.000 -4.982) 5.062 4.757 ( 6.989 0.000 2.901) 7.567 4.783 ( 0.201 0.000 -0.249) 0.320 4.908 ( 0.553 0.000 -0.885) 1.044 4.962 ( -3.740 0.000 -14.289) 14.771 5.091 ( 1.485 0.000 7.638) 7.781 5.185 ( -0.438 0.000 2.180) 2.223 5.334 ( -1.700 0.000 4.479) 4.791 5.548 ( -6.183 0.000 11.941) 13.447 5.768 ( -4.952 0.000 -8.649) 9.967 5.952 ( -2.040 0.000 -3.034) 3.656 6.051 ( 3.833 0.000 0.923) 3.943 6.135 ( -3.593 0.000 -6.535) 7.457 6.314 ( -5.931 0.000 9.827) 11.478 6.743 ( 4.363 0.000 1.723) 4.691 6.869 ( 6.059 0.000 -4.689) 7.661 7.231 ( 0.810 0.000 -1.517) 1.720 7.341 ( 7.225 0.000 -0.301) 7.231 7.682 ( -2.962 0.000 -3.897) 4.895 7.900 ( -12.872 0.000 1.180) 12.926 8.164 ( 2.050 0.000 3.890) 4.397 8.425 ( 9.143 0.000 -2.967) 9.612 8.933 ( -2.501 0.000 1.963) 3.179 9.153 ( 0.446 0.000 3.247) 3.278 9.480 ( -4.169 0.000 -3.192) 5.251 9.564 ( -0.576 0.000 -3.042) 3.096 9.771 ( -1.902 0.000 2.471) 3.119 9.782 ( 7.533 0.000 -1.789) 7.743 10.145 ( -1.041 0.000 2.335) 2.556 10.233 ( 2.130 0.000 -1.517) 2.615 10.503 ( 1.947 0.000 -2.332) 3.038 10.775 ( -2.139 0.000 4.963) 5.404 11.361 ( -13.066 0.000 0.644) 13.082 11.378 ( -8.317 0.000 0.349) 8.324 11.534 ( -4.037 0.000 -1.644) 4.359 11.694 ( -0.721 0.000 2.032) 2.156 12.299 ( 13.242 0.000 -1.244) 13.300 12.478 ( 6.632 0.000 -2.128) 6.965 13.017 ( -2.846 0.000 -0.310) 2.863 13.153 ( 3.657 0.000 1.518) 3.960 13.523 ( 2.643 0.000 0.213) 2.652 13.862 ( -0.424 0.000 -2.068) 2.111 14.034 ( -2.006 0.000 -2.087) 2.895 14.195 ( -2.715 0.000 1.889) 3.307 14.465 ( -1.278 0.000 -1.005) 1.626 14.616 ( -2.835 0.000 -5.315) 6.024 15.148 ( -3.770 0.000 15.725) 16.171 15.331 ( 4.487 0.000 -0.170) 4.490 15.414 ( 0.999 0.000 -5.027) 5.125 15.596 ( -1.231 0.000 -1.138) 1.676 15.819 ( -6.955 0.000 -1.252) 7.067 15.874 ( 1.694 0.000 -5.750) 5.995 16.096 ( 7.127 0.000 -1.203) 7.228 16.260 ( 6.323 0.000 4.095) 7.533 17.000 ( -2.506 0.000 -0.356) 2.532 17.142 ( -2.834 0.000 0.804) 2.946 19.149 ( 3.363 0.000 -0.502) 3.400 19.459 ( 0.586 0.000 2.286) 2.360 20.945 ( -2.291 0.000 1.344) 2.656 21.074 ( -3.019 0.000 -0.348) 3.039 21.343 ( 9.007 0.000 -0.479) 9.020 21.768 ( 3.015 0.000 -0.800) 3.120 22.900 ( -2.730 0.000 -0.691) 2.816 23.135 ( -5.920 0.000 -2.287) 6.346 26.498 ( 9.627 0.000 -0.522) 9.641 27.969 ( 0.583 0.000 31.525) 31.530 29.139 ( -21.322 0.000 -9.464) 23.328 29.304 ( -13.948 0.000 -12.917) 19.010 30.414 ( 18.982 0.000 2.857) 19.196 30.736 ( 9.716 0.000 -0.952) 9.763 31.196 ( 4.777 0.000 -4.653) 6.668 31.290 ( 4.163 0.000 -1.003) 4.282 31.458 ( 0.173 0.000 -0.207) 0.269 32.127 ( -9.850 0.000 8.338) 12.905 32.397 ( -12.637 0.000 9.409) 15.755 32.449 ( -8.455 0.000 -1.917) 8.669 32.844 ( 12.404 0.000 1.750) 12.527 32.950 ( 14.059 0.000 -0.811) 14.083 33.896 ( -4.015 0.000 0.313) 4.027 34.173 ( -4.659 0.000 -0.127) 4.661 35.219 ( 2.518 0.000 -1.069) 2.736 35.439 ( 0.057 0.000 1.040) 1.041 35.840 ( -0.034 0.000 -0.346) 0.348 36.129 ( 0.133 0.000 -26.893) 26.894 36.236 ( -1.217 0.000 1.805) 2.177 36.312 ( 1.547 0.000 -14.667) 14.749 37.410 ( 4.533 0.000 15.279) 15.937 38.596 ( -6.969 0.000 1.097) 7.055 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 18.619 0.000 -10.901) 21.576 1.353 ( 23.345 0.000 10.310) 25.520 1.767 ( 12.829 0.000 0.467) 12.838 1.811 ( 13.641 0.000 -7.217) 15.432 1.912 ( 4.039 0.000 1.202) 4.214 2.177 ( 11.050 0.000 9.298) 14.441 2.287 ( -7.254 0.000 -1.717) 7.455 2.430 ( -7.235 0.000 4.839) 8.704 2.599 ( 8.498 0.000 -1.642) 8.655 2.801 ( -1.227 0.000 -3.149) 3.380 2.954 ( 1.880 0.000 -0.619) 1.979 3.104 ( 0.501 0.000 -3.246) 3.284 3.212 ( -4.184 0.000 -2.948) 5.118 3.538 ( -0.574 0.000 5.227) 5.258 3.697 ( -4.929 0.000 -5.443) 7.343 3.759 ( 1.309 0.000 -1.966) 2.362 3.954 ( 4.924 0.000 3.928) 6.298 4.164 ( -1.230 0.000 2.825) 3.081 4.249 ( -2.581 0.000 -0.534) 2.636 4.382 ( 3.743 0.000 -3.496) 5.122 4.507 ( 1.757 0.000 -3.565) 3.974 4.692 ( -5.966 0.000 1.950) 6.277 4.812 ( -2.191 0.000 -1.996) 2.964 4.935 ( 0.496 0.000 -3.510) 3.545 4.948 ( 3.231 0.000 -1.543) 3.580 5.090 ( -3.314 0.000 1.961) 3.850 5.145 ( -1.888 0.000 6.095) 6.380 5.312 ( -1.937 0.000 1.748) 2.609 5.439 ( -3.323 0.000 -0.369) 3.343 5.631 ( -7.421 0.000 -0.319) 7.428 5.892 ( -2.405 0.000 -0.318) 2.426 6.076 ( -3.166 0.000 5.839) 6.642 6.120 ( -0.134 0.000 -2.727) 2.731 6.230 ( 0.732 0.000 1.387) 1.568 6.855 ( 5.181 0.000 4.205) 6.673 6.963 ( 3.825 0.000 -2.815) 4.749 7.235 ( -0.361 0.000 -3.925) 3.942 7.486 ( 4.686 0.000 -1.621) 4.958 7.592 ( -5.769 0.000 -3.503) 6.749 7.661 ( -8.451 0.000 3.178) 9.029 8.232 ( 4.334 0.000 0.599) 4.375 8.595 ( 7.910 0.000 -3.217) 8.540 8.884 ( -2.272 0.000 2.610) 3.460 9.160 ( 0.066 0.000 4.541) 4.541 9.420 ( -1.733 0.000 -2.923) 3.398 9.560 ( 0.217 0.000 -2.025) 2.036 9.714 ( -2.410 0.000 3.473) 4.228 9.954 ( 7.246 0.000 -4.750) 8.664 10.059 ( -4.330 0.000 1.431) 4.560 10.324 ( 5.324 0.000 -2.809) 6.019 10.536 ( 0.731 0.000 -3.239) 3.321 10.725 ( -3.203 0.000 5.686) 6.527 11.051 ( -14.132 0.000 3.651) 14.596 11.205 ( -9.955 0.000 -1.900) 10.135 11.510 ( 0.700 0.000 -0.868) 1.115 11.667 ( -1.659 0.000 1.537) 2.262 12.544 ( 10.401 0.000 -1.429) 10.499 12.621 ( 7.182 0.000 0.141) 7.183 12.971 ( -1.615 0.000 -0.318) 1.646 13.208 ( 1.578 0.000 0.465) 1.645 13.608 ( 6.079 0.000 0.498) 6.099 13.852 ( -0.326 0.000 -1.584) 1.617 13.957 ( -5.074 0.000 0.611) 5.111 14.128 ( -4.605 0.000 -0.265) 4.613 14.416 ( -3.913 0.000 -1.098) 4.065 14.595 ( 1.675 0.000 -3.385) 3.777 15.055 ( -4.798 0.000 11.188) 12.173 15.304 ( -4.038 0.000 -3.969) 5.662 15.550 ( 6.456 0.000 -5.070) 8.209 15.586 ( 1.054 0.000 -1.334) 1.700 15.723 ( -1.574 0.000 -0.338) 1.610 15.882 ( -0.494 0.000 -1.131) 1.235 16.255 ( 8.079 0.000 2.531) 8.466 16.378 ( 5.251 0.000 0.967) 5.339 16.932 ( -4.079 0.000 -0.063) 4.080 17.073 ( -3.844 0.000 1.107) 4.000 19.231 ( 4.580 0.000 -0.701) 4.633 19.468 ( 0.098 0.000 1.265) 1.269 20.897 ( -2.233 0.000 1.311) 2.589 21.022 ( -2.253 0.000 -0.590) 2.329 21.550 ( 11.471 0.000 -0.896) 11.506 21.838 ( 3.507 0.000 -0.444) 3.535 22.827 ( -4.296 0.000 -1.737) 4.633 22.985 ( -8.460 0.000 0.923) 8.510 26.756 ( 15.674 0.000 -0.685) 15.689 28.008 ( 1.811 0.000 13.873) 13.991 28.655 ( -24.846 0.000 -0.498) 24.851 29.037 ( -12.154 0.000 -9.557) 15.461 30.778 ( 16.695 0.000 0.753) 16.712 30.928 ( 8.653 0.000 -0.840) 8.694 31.333 ( 9.150 0.000 -3.138) 9.673 31.380 ( 3.199 0.000 -0.663) 3.267 31.477 ( 3.042 0.000 -0.187) 3.047 31.926 ( -9.815 0.000 2.806) 10.208 32.161 ( -11.428 0.000 3.286) 11.891 32.261 ( -10.726 0.000 0.751) 10.753 33.091 ( 12.250 0.000 0.381) 12.256 33.223 ( 13.498 0.000 -0.148) 13.498 33.787 ( -6.789 0.000 0.328) 6.797 34.043 ( -8.289 0.000 -0.105) 8.289 35.283 ( 3.760 0.000 -1.952) 4.237 35.438 ( -0.291 0.000 1.946) 1.967 35.839 ( -0.053 0.000 -0.444) 0.447 36.106 ( -1.359 0.000 -8.914) 9.017 36.222 ( -0.284 0.000 4.660) 4.669 36.331 ( 0.980 0.000 -10.259) 10.306 37.548 ( 8.536 0.000 6.820) 10.926 38.412 ( -11.155 0.000 0.007) 11.155 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 17.163 0.000 -9.021) 19.390 1.598 ( 3.632 0.000 4.238) 5.581 1.785 ( -12.130 0.000 4.810) 13.048 1.847 ( -0.454 0.000 1.211) 1.293 2.047 ( -5.361 0.000 1.316) 5.520 2.170 ( 4.107 0.000 -0.746) 4.174 2.341 ( 10.884 0.000 -0.340) 10.889 2.536 ( -1.532 0.000 0.251) 1.553 2.670 ( 12.324 0.000 6.368) 13.872 2.945 ( -3.076 0.000 4.334) 5.315 3.000 ( -5.028 0.000 -7.777) 9.261 3.042 ( 7.148 0.000 -2.741) 7.655 3.232 ( 8.518 0.000 -4.127) 9.466 3.517 ( -9.916 0.000 -3.438) 10.495 3.643 ( 10.599 0.000 4.342) 11.454 3.849 ( 3.756 0.000 -1.400) 4.008 3.970 ( -3.851 0.000 0.325) 3.865 4.151 ( -5.867 0.000 1.994) 6.197 4.175 ( 2.647 0.000 -0.604) 2.715 4.320 ( -8.680 0.000 -0.728) 8.711 4.551 ( 3.637 0.000 -1.813) 4.064 4.641 ( 0.239 0.000 0.762) 0.799 4.775 ( -4.087 0.000 2.399) 4.739 4.843 ( -3.716 0.000 -4.446) 5.794 5.026 ( 1.963 0.000 2.490) 3.171 5.066 ( 0.558 0.000 -2.285) 2.352 5.131 ( 1.099 0.000 2.456) 2.691 5.265 ( -2.022 0.000 1.726) 2.659 5.394 ( -2.118 0.000 -0.603) 2.202 5.527 ( -2.387 0.000 0.111) 2.390 5.899 ( 2.600 0.000 0.418) 2.634 6.030 ( -1.025 0.000 3.079) 3.245 6.082 ( -2.708 0.000 -1.808) 3.256 6.263 ( 0.735 0.000 -0.182) 0.758 6.928 ( 2.392 0.000 1.279) 2.712 7.009 ( 0.264 0.000 1.370) 1.396 7.232 ( 0.805 0.000 -4.541) 4.612 7.437 ( -3.898 0.000 0.578) 3.940 7.486 ( -3.740 0.000 -1.101) 3.898 7.657 ( 2.282 0.000 1.273) 2.613 8.309 ( 2.619 0.000 -0.490) 2.665 8.703 ( 2.593 0.000 -1.943) 3.240 8.859 ( -0.204 0.000 1.612) 1.624 9.164 ( 0.126 0.000 2.234) 2.237 9.399 ( -0.432 0.000 -1.219) 1.293 9.567 ( 0.323 0.000 -0.816) 0.878 9.697 ( 0.369 0.000 2.217) 2.247 9.894 ( -5.084 0.000 -0.720) 5.135 10.180 ( 9.125 0.000 -1.710) 9.284 10.397 ( 0.661 0.000 -4.334) 4.384 10.499 ( -3.326 0.000 -1.051) 3.488 10.648 ( -3.759 0.000 4.394) 5.783 10.899 ( -1.296 0.000 4.149) 4.347 11.033 ( -6.253 0.000 -2.394) 6.696 11.531 ( 0.986 0.000 -0.440) 1.080 11.641 ( -0.879 0.000 0.656) 1.097 12.675 ( 3.127 0.000 -0.239) 3.136 12.730 ( 2.978 0.000 -0.232) 2.987 12.961 ( 0.370 0.000 -0.002) 0.370 13.222 ( 0.210 0.000 0.079) 0.224 13.741 ( 6.288 0.000 0.168) 6.291 13.851 ( -0.504 0.000 0.259) 0.566 13.865 ( -3.106 0.000 0.741) 3.193 14.024 ( -4.624 0.000 -1.795) 4.961 14.339 ( -2.689 0.000 -0.488) 2.733 14.638 ( 1.405 0.000 -1.075) 1.769 15.043 ( 3.766 0.000 8.969) 9.728 15.177 ( -7.755 0.000 -6.999) 10.446 15.591 ( -0.147 0.000 -0.627) 0.644 15.621 ( 1.496 0.000 -0.342) 1.535 15.773 ( 4.703 0.000 -5.150) 6.974 15.852 ( -2.869 0.000 4.785) 5.579 16.382 ( 3.963 0.000 0.184) 3.968 16.460 ( 2.529 0.000 0.251) 2.541 16.860 ( -2.482 0.000 0.208) 2.491 17.010 ( -2.094 0.000 0.426) 2.136 19.307 ( 2.547 0.000 -0.429) 2.583 19.462 ( -0.546 0.000 0.579) 0.796 20.867 ( -0.788 0.000 0.515) 0.941 20.988 ( -0.993 0.000 -0.247) 1.023 21.757 ( 8.338 0.000 -0.980) 8.396 21.874 ( -0.589 0.000 0.508) 0.777 22.749 ( -2.808 0.000 -1.620) 3.242 22.850 ( -4.111 0.000 1.385) 4.338 27.047 ( 10.980 0.000 -0.340) 10.985 28.027 ( -1.362 0.000 3.615) 3.863 28.264 ( -11.337 0.000 1.303) 11.412 28.852 ( -5.276 0.000 -3.787) 6.495 31.029 ( 7.581 0.000 -0.446) 7.594 31.051 ( 3.593 0.000 0.397) 3.615 31.387 ( -0.945 0.000 -0.442) 1.043 31.516 ( 7.243 0.000 -4.399) 8.474 31.571 ( 4.173 0.000 3.164) 5.237 31.790 ( -2.926 0.000 0.187) 2.932 31.969 ( -7.134 0.000 1.759) 7.347 32.057 ( -8.095 0.000 0.283) 8.100 33.303 ( 8.050 0.000 0.022) 8.050 33.451 ( 7.748 0.000 -0.298) 7.754 33.658 ( -4.652 0.000 0.376) 4.667 33.871 ( -7.676 0.000 -0.021) 7.676 35.349 ( 2.521 0.000 -1.809) 3.103 35.427 ( -0.860 0.000 1.819) 2.012 35.838 ( -0.030 0.000 -0.205) 0.208 36.078 ( -0.876 0.000 -1.885) 2.079 36.224 ( 0.092 0.000 1.555) 1.558 36.340 ( 0.300 0.000 -3.638) 3.651 37.722 ( 7.231 0.000 2.634) 7.696 38.201 ( -8.355 0.000 -0.571) 8.374 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 21.068 0.000) 21.068 0.633 ( 0.000 30.119 0.000) 30.119 1.049 ( 0.000 47.216 0.000) 47.216 1.842 ( 0.000 -0.924 0.000) 0.924 2.052 ( 0.000 -5.349 0.000) 5.349 2.184 ( 0.000 10.086 0.000) 10.086 2.212 ( 0.000 -12.522 0.000) 12.522 2.622 ( 0.000 4.974 0.000) 4.974 2.634 ( 0.000 -5.203 0.000) 5.203 2.849 ( 0.000 -4.857 0.000) 4.857 2.935 ( 0.000 -0.069 0.000) 0.069 3.072 ( 0.000 1.247 0.000) 1.247 3.299 ( 0.000 2.381 0.000) 2.381 3.304 ( 0.000 0.124 0.000) 0.124 3.858 ( 0.000 1.484 0.000) 1.484 3.864 ( 0.000 3.855 0.000) 3.855 4.054 ( 0.000 -0.177 0.000) 0.177 4.121 ( 0.000 -3.873 0.000) 3.873 4.351 ( 0.000 3.024 0.000) 3.024 4.402 ( 0.000 4.146 0.000) 4.146 4.559 ( 0.000 1.678 0.000) 1.678 4.584 ( 0.000 3.781 0.000) 3.781 4.844 ( 0.000 0.316 0.000) 0.316 4.913 ( 0.000 1.351 0.000) 1.351 4.963 ( 0.000 0.886 0.000) 0.886 5.104 ( 0.000 7.027 0.000) 7.027 5.369 ( 0.000 -2.555 0.000) 2.555 5.400 ( 0.000 3.545 0.000) 3.545 5.683 ( 0.000 0.830 0.000) 0.830 5.835 ( 0.000 -3.482 0.000) 3.482 5.947 ( 0.000 0.730 0.000) 0.730 6.086 ( 0.000 2.998 0.000) 2.998 6.131 ( 0.000 2.437 0.000) 2.437 6.337 ( 0.000 -5.927 0.000) 5.927 6.769 ( 0.000 3.610 0.000) 3.610 6.782 ( 0.000 1.972 0.000) 1.972 7.294 ( 0.000 4.449 0.000) 4.449 7.540 ( 0.000 1.088 0.000) 1.088 7.743 ( 0.000 0.521 0.000) 0.521 7.998 ( 0.000 -3.706 0.000) 3.706 8.128 ( 0.000 -3.382 0.000) 3.382 8.274 ( 0.000 -1.692 0.000) 1.692 8.936 ( 0.000 -1.982 0.000) 1.982 9.180 ( 0.000 -0.388 0.000) 0.388 9.518 ( 0.000 -3.258 0.000) 3.258 9.583 ( 0.000 -2.517 0.000) 2.517 9.680 ( 0.000 -0.793 0.000) 0.793 9.732 ( 0.000 -4.816 0.000) 4.816 10.065 ( 0.000 -4.934 0.000) 4.934 10.226 ( 0.000 -1.905 0.000) 1.905 10.500 ( 0.000 1.163 0.000) 1.163 10.681 ( 0.000 -4.209 0.000) 4.209 11.402 ( 0.000 -0.960 0.000) 0.960 11.516 ( 0.000 -3.109 0.000) 3.109 11.607 ( 0.000 -0.412 0.000) 0.412 11.669 ( 0.000 -1.453 0.000) 1.453 12.147 ( 0.000 1.455 0.000) 1.455 12.283 ( 0.000 -0.321 0.000) 0.321 13.035 ( 0.000 0.855 0.000) 0.855 13.072 ( 0.000 -0.406 0.000) 0.406 13.521 ( 0.000 1.269 0.000) 1.269 13.574 ( 0.000 0.967 0.000) 0.967 14.038 ( 0.000 -0.395 0.000) 0.395 14.102 ( 0.000 -1.071 0.000) 1.071 14.498 ( 0.000 1.837 0.000) 1.837 14.589 ( 0.000 0.625 0.000) 0.625 15.149 ( 0.000 -0.695 0.000) 0.695 15.243 ( 0.000 -1.107 0.000) 1.107 15.389 ( 0.000 3.465 0.000) 3.465 15.555 ( 0.000 -0.687 0.000) 0.687 15.632 ( 0.000 1.594 0.000) 1.594 15.863 ( 0.000 1.627 0.000) 1.627 15.971 ( 0.000 -2.982 0.000) 2.982 15.988 ( 0.000 -0.825 0.000) 0.825 17.066 ( 0.000 0.988 0.000) 0.988 17.136 ( 0.000 0.123 0.000) 0.123 19.161 ( 0.000 1.822 0.000) 1.822 19.406 ( 0.000 -2.100 0.000) 2.100 20.990 ( 0.000 1.214 0.000) 1.214 21.111 ( 0.000 -0.562 0.000) 0.562 21.406 ( 0.000 2.046 0.000) 2.046 21.638 ( 0.000 -1.731 0.000) 1.731 23.076 ( 0.000 1.183 0.000) 1.183 23.135 ( 0.000 0.499 0.000) 0.499 26.407 ( 0.000 -0.175 0.000) 0.175 26.408 ( 0.000 -0.172 0.000) 0.172 29.380 ( 0.000 5.537 0.000) 5.537 30.183 ( 0.000 2.658 0.000) 2.658 30.186 ( 0.000 -6.569 0.000) 6.569 30.587 ( 0.000 -3.586 0.000) 3.586 31.120 ( 0.000 2.031 0.000) 2.031 31.294 ( 0.000 -1.751 0.000) 1.751 31.508 ( 0.000 1.841 0.000) 1.841 31.776 ( 0.000 -1.136 0.000) 1.136 32.522 ( 0.000 0.558 0.000) 0.558 32.597 ( 0.000 -0.261 0.000) 0.261 32.675 ( 0.000 -0.222 0.000) 0.222 32.685 ( 0.000 -1.245 0.000) 1.245 33.956 ( 0.000 2.104 0.000) 2.104 34.234 ( 0.000 -1.546 0.000) 1.546 35.239 ( 0.000 4.259 0.000) 4.259 35.530 ( 0.000 4.476 0.000) 4.476 35.734 ( 0.000 -3.287 0.000) 3.287 35.934 ( 0.000 5.110 0.000) 5.110 36.155 ( 0.000 -5.244 0.000) 5.244 36.448 ( 0.000 -2.484 0.000) 2.484 38.173 ( 0.000 2.266 0.000) 2.266 38.600 ( 0.000 -4.128 0.000) 4.128 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 28.215 5.425 16.060) 32.916 0.966 ( 22.831 21.338 -1.290) 31.277 1.326 ( 26.773 29.258 -9.539) 40.790 1.784 ( -5.064 -2.549 0.766) 5.721 1.938 ( -3.347 0.503 -1.127) 3.567 2.173 ( -0.689 0.172 -2.703) 2.794 2.257 ( 2.527 -3.387 1.136) 4.376 2.578 ( -3.121 6.189 -1.805) 7.163 2.622 ( -4.126 -1.074 0.891) 4.356 2.745 ( 2.280 -0.411 1.742) 2.899 2.996 ( 0.333 0.108 -2.177) 2.205 3.131 ( -0.031 0.328 4.015) 4.028 3.294 ( 0.146 2.504 -2.810) 3.767 3.437 ( 8.166 0.105 -2.814) 8.638 3.682 ( -1.947 -3.399 3.673) 5.370 3.865 ( -8.790 2.491 0.522) 9.151 3.989 ( -2.106 3.250 1.134) 4.035 4.188 ( 5.736 0.767 0.334) 5.797 4.288 ( -4.691 3.179 0.513) 5.690 4.398 ( -0.476 5.754 -2.537) 6.306 4.533 ( 0.147 2.678 -2.882) 3.937 4.742 ( 6.555 -2.356 1.043) 7.043 4.769 ( -2.680 1.610 -0.996) 3.282 4.918 ( -1.892 -0.886 -2.200) 3.034 4.984 ( 1.889 1.650 -1.979) 3.195 5.124 ( 0.902 4.319 2.334) 4.992 5.262 ( -5.928 3.658 4.896) 8.515 5.400 ( -1.528 3.598 -0.131) 3.911 5.543 ( -9.335 -0.109 7.447) 11.942 5.785 ( -4.710 0.667 -9.943) 11.022 5.979 ( 0.668 2.345 -1.755) 3.004 6.053 ( -0.377 1.002 0.845) 1.364 6.156 ( -0.647 1.084 -2.993) 3.248 6.259 ( -4.749 -3.576 7.186) 9.327 6.778 ( 3.124 3.061 1.832) 4.742 6.901 ( 7.164 2.003 -4.054) 8.472 7.302 ( -4.537 4.118 -0.933) 6.198 7.389 ( 1.203 4.096 -0.503) 4.298 7.699 ( -2.576 1.539 -3.793) 4.836 7.884 ( -10.990 -1.655 1.770) 11.254 8.139 ( 2.790 -2.288 3.799) 5.239 8.392 ( 8.042 -3.580 -2.040) 9.036 8.937 ( -1.383 -0.133 1.527) 2.065 9.149 ( -1.051 -0.183 2.857) 3.050 9.473 ( -3.831 -1.356 -2.308) 4.673 9.530 ( -0.949 -3.235 -2.517) 4.207 9.684 ( -1.217 -6.332 2.467) 6.904 9.785 ( 5.265 -0.733 -3.565) 6.400 10.097 ( 1.033 -4.045 1.427) 4.412 10.221 ( 0.817 -1.524 -0.618) 1.837 10.517 ( 1.947 1.081 -1.596) 2.740 10.716 ( -0.107 -4.972 3.036) 5.827 11.344 ( -12.682 -1.536 0.453) 12.783 11.362 ( -8.370 -1.528 0.223) 8.511 11.535 ( -3.532 0.198 -1.177) 3.728 11.690 ( -0.200 -1.049 2.244) 2.485 12.304 ( 13.014 0.597 -1.083) 13.072 12.436 ( 9.752 -2.926 -1.182) 10.250 13.021 ( -2.275 0.277 -0.379) 2.323 13.113 ( 3.600 -2.879 1.128) 4.746 13.539 ( 3.104 1.648 0.361) 3.533 13.780 ( 7.194 -5.986 -0.764) 9.390 14.011 ( -2.019 -1.756 -1.840) 3.247 14.104 ( -0.551 -4.410 3.621) 5.733 14.480 ( -1.836 1.185 -2.981) 3.696 14.583 ( -1.961 -1.488 -4.947) 5.525 15.137 ( -2.024 -0.197 10.872) 11.060 15.322 ( 1.969 -1.434 1.342) 2.781 15.439 ( 3.375 2.437 -4.945) 6.464 15.607 ( -1.964 1.147 -2.079) 3.081 15.717 ( 7.253 -10.547 -2.198) 12.987 15.834 ( -2.802 -0.381 -4.802) 5.573 15.987 ( 11.025 -1.946 2.157) 11.402 16.157 ( 9.112 -3.901 5.502) 11.337 17.028 ( -3.126 1.692 0.503) 3.590 17.128 ( -1.771 -0.650 0.799) 2.049 19.180 ( 2.480 2.363 0.119) 3.428 19.431 ( 1.630 -2.283 1.907) 3.392 20.951 ( -2.910 0.891 -0.015) 3.043 21.070 ( -3.294 -0.660 -0.446) 3.388 21.419 ( 5.617 5.069 -1.045) 7.638 21.744 ( 5.827 -2.173 -0.547) 6.243 22.954 ( -6.042 3.793 -0.620) 7.161 23.122 ( -4.642 -0.852 -0.984) 4.822 26.501 ( 10.165 0.385 -0.413) 10.181 27.125 ( 40.041 -36.088 9.591) 54.750 29.193 ( -18.024 4.192 -2.258) 18.642 29.518 ( -31.851 5.295 -4.212) 32.561 30.545 ( 14.146 5.418 2.411) 15.339 30.709 ( 10.197 -2.487 -0.246) 10.498 31.186 ( 5.518 0.439 -1.709) 5.793 31.319 ( 3.348 0.451 -0.900) 3.496 31.474 ( -0.524 2.134 -1.650) 2.748 31.946 ( 4.266 -11.524 6.397) 13.853 32.333 ( -9.631 -1.599 0.135) 9.764 32.404 ( -12.502 -0.953 0.380) 12.544 32.845 ( 13.212 0.189 1.049) 13.255 32.946 ( 13.825 -0.923 -1.197) 13.907 33.915 ( -4.095 1.934 0.210) 4.533 34.175 ( -5.457 -0.893 0.099) 5.530 35.263 ( 2.378 4.252 -1.152) 5.007 35.485 ( -1.850 3.963 2.099) 4.851 35.828 ( 3.752 -2.551 -5.458) 7.098 35.987 ( 4.897 0.073 -7.697) 9.123 36.172 ( 1.592 -4.361 3.858) 6.037 36.463 ( 0.775 0.810 -3.374) 3.555 37.794 ( -19.722 19.445 2.028) 27.770 38.541 ( -6.768 -5.027 0.574) 8.450 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 15.251 -1.218 4.175) 15.859 1.360 ( 15.653 11.454 3.103) 19.643 1.669 ( 0.698 -5.652 0.347) 5.705 1.883 ( 13.259 6.539 -1.919) 14.908 1.976 ( 10.148 4.931 -6.035) 12.795 2.258 ( 2.468 2.226 6.173) 7.011 2.283 ( 7.066 -4.670 0.144) 8.471 2.469 ( -7.388 8.517 0.253) 11.277 2.631 ( 8.119 3.284 -0.921) 8.807 2.812 ( 3.062 1.077 -2.321) 3.990 2.984 ( -0.164 5.679 1.236) 5.814 3.114 ( 0.641 -1.499 2.116) 2.671 3.252 ( -4.059 7.653 -6.472) 10.814 3.545 ( 4.590 -1.067 1.511) 4.949 3.683 ( -6.202 -1.075 -4.556) 7.770 3.803 ( 6.210 -1.327 2.127) 6.697 3.961 ( -0.287 4.822 1.123) 4.960 4.179 ( -4.856 1.136 2.894) 5.766 4.259 ( -1.594 1.899 0.466) 2.523 4.414 ( 1.554 3.716 -4.374) 5.946 4.535 ( 0.440 -0.147 -0.978) 1.083 4.718 ( -2.471 2.706 1.008) 3.801 4.788 ( -1.645 -0.495 -1.712) 2.425 4.912 ( 2.162 -2.451 -2.120) 3.896 4.969 ( -3.372 0.916 0.493) 3.529 5.112 ( -2.408 3.680 2.712) 5.167 5.215 ( 0.116 3.290 3.644) 4.910 5.308 ( -7.317 -0.942 2.699) 7.856 5.434 ( -0.980 1.234 -5.200) 5.434 5.660 ( -6.568 2.555 -0.158) 7.049 5.932 ( -2.855 2.947 -0.027) 4.103 6.062 ( -0.556 -0.444 1.401) 1.571 6.141 ( -2.183 1.847 0.996) 3.028 6.222 ( 2.306 -0.583 2.006) 3.111 6.876 ( 5.532 2.249 1.616) 6.187 6.998 ( 3.087 2.839 -1.881) 4.597 7.230 ( -1.909 -0.463 -3.060) 3.636 7.450 ( 0.023 -2.957 -1.086) 3.150 7.621 ( -7.136 2.061 -2.150) 7.732 7.692 ( -3.632 2.771 2.662) 5.288 8.222 ( 4.858 -0.948 0.719) 5.002 8.543 ( 7.075 -5.407 -1.840) 9.093 8.894 ( -2.488 1.371 1.896) 3.415 9.146 ( 0.184 -1.252 3.280) 3.516 9.419 ( -1.610 -0.405 -1.577) 2.289 9.520 ( -0.155 -4.226 -2.252) 4.791 9.655 ( -0.996 -4.751 2.648) 5.530 9.896 ( 3.264 -5.611 -4.038) 7.645 10.063 ( -0.898 0.673 0.231) 1.146 10.293 ( 4.883 -2.817 -2.494) 6.164 10.555 ( 1.022 1.298 -1.823) 2.460 10.689 ( -2.224 -3.248 4.639) 6.084 11.038 ( -14.359 -0.903 2.743) 14.646 11.181 ( -10.291 -2.366 -1.770) 10.707 11.517 ( 0.786 0.823 -0.519) 1.251 11.667 ( -1.557 -0.223 1.625) 2.261 12.550 ( 10.718 0.639 -1.355) 10.822 12.613 ( 7.971 -0.648 0.153) 7.999 12.980 ( -1.475 0.781 -0.144) 1.676 13.170 ( 1.944 -3.408 0.426) 3.947 13.631 ( 5.970 2.097 0.469) 6.345 13.832 ( 0.403 -1.723 -1.354) 2.228 13.940 ( -4.793 -1.484 0.280) 5.025 14.097 ( -1.405 -2.838 1.628) 3.561 14.418 ( -4.307 0.143 -2.129) 4.807 14.556 ( 1.147 -3.095 -4.108) 5.270 15.059 ( -4.847 0.695 8.591) 9.889 15.288 ( -4.464 -1.614 -3.146) 5.695 15.569 ( 6.058 1.334 -2.729) 6.777 15.587 ( 1.269 0.543 -2.916) 3.226 15.697 ( -1.897 -2.516 0.169) 3.156 15.852 ( 0.803 -2.364 -0.126) 2.500 16.222 ( 10.476 -2.193 2.668) 11.030 16.321 ( 7.233 -4.016 0.835) 8.315 16.954 ( -4.253 1.765 0.461) 4.628 17.068 ( -3.869 -0.516 1.141) 4.067 19.251 ( 4.214 1.855 -0.288) 4.613 19.456 ( 0.698 -1.240 1.376) 1.979 20.898 ( -2.245 0.293 0.726) 2.378 21.012 ( -2.507 -1.037 -0.661) 2.792 21.589 ( 10.348 3.513 -1.082) 10.981 21.841 ( 4.035 -0.107 -0.520) 4.069 22.849 ( -4.896 2.047 -1.508) 5.517 22.986 ( -7.987 0.062 0.871) 8.035 26.771 ( 16.296 1.634 -0.561) 16.387 27.663 ( 17.004 -25.199 7.885) 31.405 28.723 ( -26.152 4.631 -0.290) 26.560 29.052 ( -17.112 0.172 -5.496) 17.974 30.817 ( 12.793 2.500 1.316) 13.101 30.905 ( 8.601 -1.969 -0.685) 8.850 31.318 ( 7.229 -0.077 -0.692) 7.262 31.413 ( 5.296 0.952 -1.851) 5.691 31.491 ( 2.995 2.021 -1.050) 3.763 31.894 ( -6.557 -3.881 3.385) 8.338 32.148 ( -10.323 -1.476 3.053) 10.866 32.187 ( -9.492 -3.661 -1.723) 10.318 33.098 ( 12.225 0.467 0.197) 12.236 33.214 ( 13.270 -1.030 -0.305) 13.313 33.803 ( -6.974 1.616 0.312) 7.165 34.035 ( -8.487 -1.003 -0.008) 8.546 35.323 ( 3.487 3.903 -2.049) 5.620 35.465 ( -0.642 2.755 2.112) 3.530 35.864 ( 1.066 1.532 -2.211) 2.893 36.058 ( 2.408 -2.330 -6.460) 7.277 36.214 ( 2.218 -1.076 6.264) 6.731 36.445 ( -2.424 6.566 -7.048) 9.933 37.623 ( 0.284 7.070 4.261) 8.259 38.355 ( -11.379 -5.463 -0.116) 12.623 ======================= Grid point 10 (8/88) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 5.073 -8.053 0.605) 9.536 1.584 ( 7.169 -1.813 -0.459) 7.409 1.678 ( 3.044 1.724 0.076) 3.499 1.880 ( -10.158 5.232 3.097) 11.839 2.141 ( -1.401 0.709 1.856) 2.431 2.194 ( -0.808 2.805 -0.257) 2.930 2.400 ( 10.858 4.429 -4.441) 12.540 2.631 ( 5.670 8.241 0.875) 10.041 2.789 ( 9.370 9.112 2.682) 13.343 2.919 ( 1.625 0.853 8.727) 8.918 3.003 ( 4.780 -0.523 -1.566) 5.057 3.075 ( -8.425 4.811 -7.478) 12.249 3.244 ( 8.727 2.725 -3.999) 9.979 3.484 ( -9.463 -1.401 0.173) 9.568 3.742 ( 8.831 0.131 -0.924) 8.881 3.878 ( 2.821 5.932 -0.535) 6.590 3.979 ( -1.837 2.539 0.191) 3.140 4.119 ( 2.810 -2.386 -0.213) 3.693 4.175 ( -5.729 0.540 1.942) 6.073 4.306 ( -10.776 -1.290 -0.380) 10.859 4.578 ( 2.847 1.854 -0.630) 3.456 4.703 ( 1.278 4.071 0.043) 4.267 4.751 ( -2.861 0.326 1.160) 3.104 4.873 ( -3.691 1.973 -2.250) 4.752 4.958 ( 0.749 -3.251 -1.458) 3.641 5.086 ( 1.136 -1.757 2.364) 3.157 5.168 ( -4.163 -0.076 0.433) 4.186 5.254 ( 0.764 3.142 2.124) 3.869 5.430 ( -0.142 3.250 -2.162) 3.906 5.564 ( -2.519 2.768 0.550) 3.783 5.937 ( 3.116 2.869 0.143) 4.239 6.042 ( -1.701 -0.117 0.520) 1.782 6.082 ( -2.837 2.351 0.731) 3.756 6.272 ( 1.366 0.423 0.314) 1.464 6.958 ( 2.533 2.851 -0.047) 3.815 7.037 ( 0.510 2.430 1.908) 3.132 7.218 ( 1.144 -1.336 -4.543) 4.872 7.372 ( -4.837 -5.114 1.203) 7.141 7.496 ( -3.551 1.315 -0.719) 3.854 7.706 ( 1.420 3.155 1.057) 3.618 8.303 ( 2.585 -0.533 -0.341) 2.661 8.645 ( 2.801 -6.338 -1.055) 7.009 8.858 ( -0.972 0.969 1.215) 1.833 9.154 ( 0.306 -0.985 1.209) 1.589 9.399 ( -0.501 -0.398 -0.306) 0.710 9.522 ( 0.280 -4.282 -0.808) 4.367 9.668 ( 2.078 -2.536 1.707) 3.697 9.831 ( -5.548 -5.816 -1.308) 8.144 10.175 ( 8.667 -0.333 -1.303) 8.771 10.350 ( -0.413 -4.032 -3.371) 5.272 10.519 ( -3.551 1.579 0.171) 3.890 10.647 ( -1.863 -0.070 2.534) 3.146 10.873 ( -1.770 -2.123 3.639) 4.569 11.004 ( -6.465 -2.857 -2.211) 7.406 11.538 ( 0.851 0.781 -0.285) 1.190 11.644 ( -0.733 0.096 0.624) 0.968 12.689 ( 3.342 1.276 -0.342) 3.593 12.729 ( 3.122 -0.028 -0.139) 3.125 12.971 ( 0.319 0.902 0.067) 0.959 13.193 ( 0.550 -2.806 0.097) 2.861 13.746 ( 4.570 0.006 -0.118) 4.571 13.830 ( -2.319 -2.184 -0.188) 3.191 13.872 ( 0.595 1.605 1.283) 2.139 14.033 ( -3.884 0.855 -1.196) 4.153 14.335 ( -2.939 -0.406 -0.661) 3.040 14.608 ( 2.410 -3.315 -1.299) 4.299 15.027 ( 2.259 -1.116 6.622) 7.085 15.156 ( -7.570 -1.804 -5.081) 9.294 15.605 ( 0.487 0.908 0.118) 1.037 15.622 ( 0.455 0.443 -0.720) 0.960 15.746 ( 5.013 -2.279 -4.239) 6.949 15.833 ( -2.764 -1.700 4.062) 5.199 16.372 ( 4.274 -0.677 0.629) 4.372 16.435 ( 3.639 -2.103 -0.280) 4.212 16.880 ( -2.596 1.714 0.348) 3.130 17.001 ( -2.260 -0.759 0.502) 2.436 19.322 ( 2.381 1.410 -0.280) 2.781 19.459 ( -0.257 -0.385 0.581) 0.743 20.869 ( -0.746 0.222 0.393) 0.872 20.975 ( -1.057 -1.264 -0.285) 1.673 21.778 ( 7.631 1.977 -0.876) 7.931 21.883 ( -0.327 0.698 0.271) 0.817 22.768 ( -2.608 1.819 -1.356) 3.457 22.856 ( -4.075 0.533 1.181) 4.276 27.072 ( 11.271 2.574 -0.266) 11.564 27.876 ( 4.728 -13.159 3.032) 14.308 28.301 ( -13.405 3.286 0.497) 13.810 28.803 ( -7.206 -4.702 -2.844) 9.062 31.008 ( 5.154 -1.882 0.060) 5.487 31.028 ( 3.983 -1.906 0.067) 4.416 31.393 ( 0.494 0.960 0.118) 1.087 31.519 ( 4.452 -0.467 -2.640) 5.197 31.601 ( 6.161 2.758 0.896) 6.810 31.793 ( -2.265 -0.461 0.766) 2.435 31.967 ( -6.771 -0.155 1.599) 6.959 32.009 ( -7.365 -3.268 -0.546) 8.076 33.306 ( 7.808 0.350 -0.070) 7.817 33.441 ( 8.103 -1.122 -0.237) 8.184 33.668 ( -5.269 1.124 0.324) 5.397 33.864 ( -7.401 -0.846 0.011) 7.450 35.382 ( 2.091 3.198 -1.700) 4.182 35.454 ( -0.639 2.629 1.657) 3.173 35.878 ( 0.435 2.886 -0.780) 3.021 36.083 ( 0.574 -1.595 -2.058) 2.666 36.259 ( 1.693 4.365 5.405) 7.151 36.384 ( -2.451 4.748 -5.717) 7.825 37.711 ( 5.673 -0.693 2.291) 6.158 38.139 ( -8.563 -5.850 -0.615) 10.389 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 23.680 0.000) 23.680 1.191 ( 0.000 25.265 0.000) 25.265 1.627 ( 0.000 -1.315 0.000) 1.315 1.850 ( 0.000 2.050 0.000) 2.050 1.922 ( 0.000 -12.682 0.000) 12.682 1.988 ( 0.000 2.131 0.000) 2.131 2.392 ( 0.000 9.996 0.000) 9.996 2.542 ( 0.000 0.459 0.000) 0.459 2.721 ( 0.000 2.452 0.000) 2.452 2.749 ( 0.000 -5.251 0.000) 5.251 2.953 ( 0.000 4.143 0.000) 4.143 3.089 ( 0.000 0.527 0.000) 0.527 3.321 ( 0.000 3.202 0.000) 3.202 3.453 ( 0.000 10.887 0.000) 10.887 3.766 ( 0.000 -8.846 0.000) 8.846 3.879 ( 0.000 -4.297 0.000) 4.297 4.073 ( 0.000 1.372 0.000) 1.372 4.097 ( 0.000 0.469 0.000) 0.469 4.416 ( 0.000 4.786 0.000) 4.786 4.473 ( 0.000 -0.665 0.000) 0.665 4.602 ( 0.000 -2.513 0.000) 2.513 4.611 ( 0.000 4.236 0.000) 4.236 4.855 ( 0.000 0.667 0.000) 0.667 4.887 ( 0.000 -0.552 0.000) 0.552 5.084 ( 0.000 7.495 0.000) 7.495 5.233 ( 0.000 2.786 0.000) 2.786 5.353 ( 0.000 3.753 0.000) 3.753 5.504 ( 0.000 5.648 0.000) 5.648 5.694 ( 0.000 0.192 0.000) 0.192 5.733 ( 0.000 -6.308 0.000) 6.308 5.988 ( 0.000 3.376 0.000) 3.376 6.142 ( 0.000 1.140 0.000) 1.140 6.183 ( 0.000 2.364 0.000) 2.364 6.220 ( 0.000 -4.306 0.000) 4.306 6.823 ( 0.000 1.798 0.000) 1.798 6.828 ( 0.000 1.959 0.000) 1.959 7.416 ( 0.000 7.170 0.000) 7.170 7.568 ( 0.000 1.191 0.000) 1.191 7.755 ( 0.000 0.719 0.000) 0.719 7.899 ( 0.000 -5.720 0.000) 5.720 8.056 ( 0.000 -2.658 0.000) 2.658 8.196 ( 0.000 -6.195 0.000) 6.195 8.927 ( 0.000 2.211 0.000) 2.211 9.154 ( 0.000 -3.103 0.000) 3.103 9.410 ( 0.000 -5.453 0.000) 5.453 9.483 ( 0.000 -6.329 0.000) 6.329 9.682 ( 0.000 -0.256 0.000) 0.256 9.691 ( 0.000 1.129 0.000) 1.129 9.978 ( 0.000 -2.251 0.000) 2.251 10.140 ( 0.000 -6.441 0.000) 6.441 10.525 ( 0.000 1.257 0.000) 1.257 10.600 ( 0.000 -3.229 0.000) 3.229 11.384 ( 0.000 -0.577 0.000) 0.577 11.443 ( 0.000 -3.533 0.000) 3.533 11.602 ( 0.000 0.022 0.000) 0.022 11.637 ( 0.000 -1.568 0.000) 1.568 12.186 ( 0.000 2.294 0.000) 2.294 12.268 ( 0.000 -1.285 0.000) 1.285 13.051 ( 0.000 0.601 0.000) 0.601 13.064 ( 0.000 -0.348 0.000) 0.348 13.553 ( 0.000 1.732 0.000) 1.732 13.590 ( 0.000 0.339 0.000) 0.339 14.035 ( 0.000 0.154 0.000) 0.154 14.075 ( 0.000 -1.505 0.000) 1.505 14.543 ( 0.000 2.410 0.000) 2.410 14.598 ( 0.000 0.044 0.000) 0.044 15.151 ( 0.000 0.942 0.000) 0.942 15.215 ( 0.000 -1.608 0.000) 1.608 15.457 ( 0.000 2.913 0.000) 2.913 15.535 ( 0.000 -1.334 0.000) 1.334 15.685 ( 0.000 3.786 0.000) 3.786 15.885 ( 0.000 -4.106 0.000) 4.106 15.905 ( 0.000 1.052 0.000) 1.052 15.967 ( 0.000 -1.236 0.000) 1.236 17.092 ( 0.000 1.455 0.000) 1.455 17.134 ( 0.000 -0.353 0.000) 0.353 19.211 ( 0.000 3.059 0.000) 3.059 19.349 ( 0.000 -3.338 0.000) 3.338 21.022 ( 0.000 1.881 0.000) 1.881 21.092 ( 0.000 -1.277 0.000) 1.277 21.460 ( 0.000 3.218 0.000) 3.218 21.591 ( 0.000 -2.842 0.000) 2.842 23.106 ( 0.000 1.586 0.000) 1.586 23.142 ( 0.000 0.052 0.000) 0.052 26.404 ( 0.000 -0.168 0.000) 0.168 26.404 ( 0.000 -0.173 0.000) 0.173 29.538 ( 0.000 9.943 0.000) 9.943 30.003 ( 0.000 -11.141 0.000) 11.141 30.259 ( 0.000 4.816 0.000) 4.816 30.490 ( 0.000 -5.744 0.000) 5.744 31.170 ( 0.000 2.676 0.000) 2.676 31.257 ( 0.000 -1.834 0.000) 1.834 31.563 ( 0.000 3.633 0.000) 3.633 31.731 ( 0.000 -3.407 0.000) 3.407 32.539 ( 0.000 1.052 0.000) 1.052 32.586 ( 0.000 -0.924 0.000) 0.924 32.663 ( 0.000 -0.677 0.000) 0.677 32.669 ( 0.000 -0.440 0.000) 0.440 34.017 ( 0.000 3.879 0.000) 3.879 34.185 ( 0.000 -3.412 0.000) 3.412 35.355 ( 0.000 6.941 0.000) 6.941 35.639 ( 0.000 -5.973 0.000) 5.973 35.656 ( 0.000 7.857 0.000) 7.857 36.014 ( 0.000 -8.456 0.000) 8.456 36.070 ( 0.000 7.956 0.000) 7.956 36.368 ( 0.000 -5.506 0.000) 5.506 38.242 ( 0.000 4.643 0.000) 4.643 38.489 ( 0.000 -6.502 0.000) 6.502 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 12.921 13.832 9.714) 21.275 1.365 ( 12.842 16.309 -0.745) 20.772 1.628 ( -0.336 -3.701 -5.874) 6.951 1.861 ( 2.938 1.624 -3.587) 4.913 1.956 ( 3.601 2.295 3.826) 5.733 1.994 ( 5.073 -3.978 4.779) 8.025 2.359 ( -3.797 8.277 -0.616) 9.127 2.532 ( -1.974 -2.375 -1.982) 3.669 2.696 ( 0.253 -0.523 0.132) 0.596 2.765 ( 3.717 3.081 -2.259) 5.330 3.052 ( 6.046 3.598 -2.327) 7.411 3.139 ( 1.043 0.789 2.218) 2.574 3.354 ( 4.490 5.804 -2.679) 7.812 3.510 ( 4.992 6.754 -0.906) 8.447 3.638 ( -5.498 -2.798 2.328) 6.594 3.884 ( -3.548 -1.830 -1.512) 4.269 4.010 ( -5.413 0.658 2.806) 6.133 4.169 ( 6.509 -1.310 1.814) 6.883 4.377 ( -1.527 3.865 -1.610) 4.456 4.490 ( -1.038 -0.507 1.320) 1.754 4.570 ( -0.893 2.323 -0.973) 2.673 4.695 ( 4.599 -2.397 -0.945) 5.271 4.805 ( -2.742 2.184 2.384) 4.240 4.938 ( 2.918 0.276 -0.516) 2.976 5.008 ( -5.672 3.954 -4.492) 8.245 5.223 ( -2.136 2.260 1.914) 3.652 5.315 ( -3.312 3.391 3.278) 5.763 5.458 ( -6.553 1.505 5.574) 8.733 5.565 ( -5.263 3.850 -3.337) 7.325 5.766 ( -0.743 -2.511 -7.888) 8.311 6.019 ( 2.690 1.328 -0.085) 3.002 6.084 ( -6.004 0.911 1.516) 6.259 6.175 ( 0.901 1.212 0.632) 1.637 6.216 ( -1.001 -0.561 2.781) 3.008 6.846 ( 3.281 3.403 0.598) 4.765 6.926 ( 7.296 0.194 -3.609) 8.142 7.378 ( -6.341 3.737 -0.701) 7.394 7.455 ( -5.522 1.660 -0.316) 5.774 7.740 ( -0.830 2.595 -2.280) 3.553 7.843 ( -6.411 -2.015 2.164) 7.060 8.090 ( 4.295 -1.813 2.816) 5.447 8.270 ( 5.882 -8.254 -0.440) 10.145 8.951 ( 1.402 2.634 0.580) 3.040 9.141 ( -1.378 -1.436 2.258) 3.010 9.386 ( -1.050 -5.979 -1.345) 6.218 9.440 ( -3.482 -5.647 0.322) 6.642 9.619 ( -2.146 0.802 -0.056) 2.291 9.747 ( 1.903 -3.116 -3.792) 5.264 10.034 ( 4.090 -1.137 0.310) 4.257 10.158 ( 1.770 -4.621 -0.464) 4.970 10.537 ( 1.457 0.930 -0.243) 1.746 10.619 ( 0.785 -3.985 1.466) 4.318 11.312 ( -11.632 -1.385 -0.048) 11.714 11.325 ( -8.607 -1.885 -0.209) 8.814 11.549 ( -2.115 1.273 -0.130) 2.472 11.646 ( 0.849 -2.929 1.810) 3.547 12.325 ( 11.933 1.444 -0.758) 12.044 12.390 ( 10.327 -1.722 -0.298) 10.474 13.028 ( -1.655 0.555 -0.168) 1.754 13.069 ( 0.734 -1.551 0.553) 1.802 13.585 ( 3.859 2.683 0.620) 4.741 13.693 ( 7.274 -2.960 0.497) 7.869 13.989 ( -3.583 -0.149 -0.707) 3.655 14.044 ( -2.680 -2.280 1.895) 3.996 14.509 ( -3.004 1.713 -4.223) 5.458 14.565 ( -3.109 -0.750 -4.541) 5.554 15.157 ( -0.747 2.099 6.025) 6.424 15.277 ( 1.730 -2.861 1.534) 3.678 15.491 ( 3.177 2.281 -2.110) 4.444 15.575 ( 4.461 -3.573 -0.949) 5.794 15.658 ( -1.276 3.322 -1.596) 3.900 15.814 ( -3.178 -2.255 -3.105) 4.982 15.991 ( 8.302 1.328 2.367) 8.734 16.084 ( 8.008 -3.302 4.075) 9.573 17.062 ( -2.831 1.674 0.834) 3.393 17.115 ( -2.154 -0.803 0.793) 2.432 19.236 ( 2.473 3.191 0.520) 4.070 19.374 ( 2.146 -3.282 1.339) 4.144 20.979 ( -3.490 1.722 -0.580) 3.935 21.048 ( -3.509 -1.436 -0.564) 3.833 21.517 ( 6.119 4.737 -1.106) 7.817 21.687 ( 7.259 -3.462 -0.549) 8.061 23.024 ( -6.192 3.107 -0.439) 6.942 23.105 ( -4.565 -0.975 -0.118) 4.669 26.520 ( 12.012 1.641 -0.143) 12.124 26.711 ( 25.430 -10.734 2.388) 27.706 29.305 ( -20.556 6.600 -1.570) 21.647 29.531 ( -29.153 -2.605 -1.771) 29.323 30.584 ( 16.388 0.115 1.372) 16.446 30.649 ( 12.413 -3.175 0.693) 12.831 31.217 ( 4.621 2.165 -0.334) 5.114 31.298 ( 4.106 -1.749 -0.008) 4.463 31.544 ( -0.721 4.550 -1.528) 4.854 31.774 ( 2.298 -6.713 2.112) 7.403 32.334 ( -11.338 0.928 -0.637) 11.393 32.383 ( -12.298 -1.142 0.456) 12.359 32.855 ( 13.297 0.912 0.374) 13.333 32.918 ( 13.709 -1.747 -0.932) 13.852 33.972 ( -4.431 3.681 0.197) 5.764 34.132 ( -5.125 -3.191 0.123) 6.039 35.377 ( 2.139 6.764 -1.382) 7.227 35.565 ( -2.728 2.245 2.160) 4.141 35.771 ( 6.213 -0.839 -5.691) 8.467 36.000 ( -0.456 -5.023 -2.650) 5.698 36.130 ( 4.997 4.752 4.133) 8.039 36.409 ( 3.793 -5.221 1.091) 6.544 38.066 ( -14.676 9.988 -0.025) 17.752 38.411 ( -7.811 -7.627 0.106) 10.918 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 6.308 0.393 7.897) 10.115 1.455 ( -2.367 -6.675 2.207) 7.418 1.722 ( 9.301 10.514 -0.290) 14.040 1.980 ( 4.491 -1.666 0.023) 4.790 2.063 ( 7.052 4.876 -0.834) 8.614 2.209 ( 11.703 5.200 -3.043) 13.163 2.316 ( 3.035 -0.232 0.658) 3.114 2.502 ( 1.723 -4.348 1.128) 4.811 2.740 ( 4.988 5.948 0.831) 7.807 2.883 ( 6.749 3.253 -2.450) 7.882 3.112 ( 0.899 4.459 -1.888) 4.925 3.150 ( 1.899 4.043 2.414) 5.077 3.383 ( -4.304 3.652 -2.423) 6.143 3.556 ( -1.029 1.505 -0.016) 1.823 3.684 ( 7.282 4.444 -4.654) 9.718 3.807 ( 1.190 4.691 3.341) 5.881 3.995 ( 2.100 -3.009 0.211) 3.675 4.177 ( -4.898 -1.494 2.700) 5.789 4.359 ( -5.157 5.368 0.485) 7.460 4.456 ( -2.867 -2.690 0.252) 3.940 4.532 ( 0.884 4.340 -0.315) 4.440 4.750 ( -0.656 -2.693 -0.831) 2.893 4.779 ( 0.331 1.733 0.382) 1.805 4.913 ( -0.947 1.881 -4.074) 4.587 4.976 ( -1.515 -0.580 0.170) 1.631 5.139 ( -5.823 -3.307 -2.343) 7.094 5.243 ( -3.293 3.422 5.682) 7.406 5.329 ( -4.151 2.404 1.858) 5.144 5.500 ( -2.027 4.715 -6.162) 8.020 5.695 ( -5.338 -0.525 0.505) 5.388 5.980 ( -2.481 2.794 1.354) 3.974 6.079 ( 1.386 0.834 -0.975) 1.888 6.182 ( -1.493 2.098 2.923) 3.895 6.217 ( 2.691 0.174 2.115) 3.427 6.942 ( 5.817 3.967 -1.826) 7.274 7.046 ( 4.176 0.984 -3.382) 5.463 7.229 ( -5.843 1.029 -0.970) 6.012 7.376 ( -4.755 -4.372 -0.207) 6.463 7.668 ( -7.515 2.867 1.096) 8.118 7.744 ( -1.370 1.520 2.230) 3.027 8.205 ( 6.243 -0.189 0.464) 6.263 8.391 ( 5.999 -8.679 -0.357) 10.556 8.949 ( -1.723 4.148 1.147) 4.636 9.120 ( -0.430 -1.416 2.087) 2.558 9.378 ( -1.434 -4.346 1.172) 4.724 9.395 ( 0.855 -6.418 -2.234) 6.849 9.598 ( -0.111 0.072 -0.286) 0.315 9.760 ( -0.736 -6.860 -2.875) 7.475 10.090 ( 2.449 2.012 -1.405) 3.467 10.222 ( 4.086 -4.020 -1.792) 6.006 10.572 ( 1.308 0.403 0.548) 1.474 10.620 ( -0.279 -3.010 2.950) 4.224 11.030 ( -13.999 0.413 0.818) 14.029 11.120 ( -11.253 -3.375 -1.339) 11.824 11.547 ( 0.994 2.144 0.241) 2.375 11.648 ( -0.608 -1.822 1.492) 2.432 12.566 ( 11.092 0.871 -1.081) 11.179 12.599 ( 9.589 -0.733 -0.037) 9.617 13.000 ( -0.978 1.227 0.146) 1.576 13.094 ( 1.481 -3.696 0.347) 3.996 13.681 ( 4.866 2.663 0.295) 5.555 13.790 ( 1.703 -2.505 -0.832) 3.142 13.921 ( -2.742 0.338 0.343) 2.784 14.029 ( 1.924 -3.624 2.953) 5.055 14.425 ( -5.050 0.821 -4.022) 6.508 14.499 ( -2.276 -2.431 -4.637) 5.709 15.093 ( -4.960 2.737 4.940) 7.516 15.238 ( -5.003 -3.283 -0.665) 6.021 15.578 ( 2.955 0.273 0.122) 2.970 15.615 ( 3.014 -0.121 -1.407) 3.329 15.660 ( -0.065 1.182 -0.992) 1.545 15.801 ( 0.707 -2.952 -0.590) 3.092 16.198 ( 11.036 -0.170 2.280) 11.270 16.251 ( 8.471 -2.762 0.994) 8.965 16.991 ( -4.140 1.836 0.924) 4.622 17.052 ( -4.002 -1.076 1.156) 4.302 19.300 ( 3.626 2.890 0.319) 4.647 19.418 ( 1.894 -2.487 1.260) 3.370 20.914 ( -2.644 1.308 -0.077) 2.951 20.983 ( -2.821 -1.703 -0.689) 3.366 21.673 ( 8.861 4.505 -1.126) 10.004 21.820 ( 5.725 -2.121 -0.755) 6.152 22.901 ( -5.846 2.864 -0.856) 6.566 22.981 ( -7.186 -0.757 0.549) 7.247 26.829 ( 18.177 4.464 -0.174) 18.718 27.223 ( 23.698 -17.314 2.897) 29.492 28.822 ( -26.077 5.321 -0.894) 26.629 29.020 ( -22.125 -3.280 -2.323) 22.488 30.842 ( 10.024 0.108 0.781) 10.055 30.867 ( 8.803 -1.469 0.095) 8.925 31.336 ( 6.667 1.532 0.256) 6.845 31.402 ( 5.759 -1.393 -0.233) 5.930 31.558 ( 2.643 4.227 -1.856) 5.320 31.780 ( -1.617 -6.453 2.344) 7.054 32.130 ( -9.511 0.237 -0.068) 9.515 32.156 ( -10.614 -0.651 -0.588) 10.650 33.111 ( 12.385 1.003 -0.118) 12.426 33.182 ( 12.995 -2.021 -0.420) 13.158 33.852 ( -7.447 3.218 0.290) 8.118 33.996 ( -8.376 -2.901 0.118) 8.865 35.427 ( 2.648 5.938 -2.089) 6.829 35.532 ( -1.050 2.912 1.797) 3.579 35.866 ( 3.621 -0.674 -4.636) 5.921 35.999 ( 0.353 -4.642 -1.524) 4.898 36.249 ( 6.545 5.443 4.425) 9.594 36.489 ( 3.201 -2.133 -0.662) 3.903 37.802 ( -9.775 10.121 1.032) 14.109 38.207 ( -12.063 -8.968 -0.259) 15.034 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 1.595 -5.766 3.345) 6.854 1.400 ( -2.292 -9.645 -0.224) 9.916 1.879 ( 4.154 5.823 -1.203) 7.253 2.001 ( 1.790 6.848 3.405) 7.854 2.106 ( -2.075 1.382 2.443) 3.490 2.315 ( 0.549 8.066 -2.122) 8.358 2.443 ( 5.191 -0.293 -3.142) 6.075 2.678 ( 10.054 -5.273 -0.029) 11.352 2.898 ( 10.119 5.380 -0.056) 11.460 3.003 ( 5.095 3.555 4.011) 7.395 3.109 ( -1.400 6.360 -0.568) 6.538 3.174 ( -7.165 6.922 -5.585) 11.421 3.301 ( 5.569 -1.307 5.607) 8.010 3.464 ( -7.266 -1.011 -3.299) 8.044 3.801 ( 2.834 8.674 -0.056) 9.125 3.936 ( 7.436 1.087 -2.759) 8.005 4.020 ( 0.656 -0.050 0.303) 0.724 4.093 ( -1.572 -1.644 2.797) 3.605 4.227 ( -5.118 5.233 1.170) 7.413 4.304 ( -9.444 2.258 -1.278) 9.794 4.596 ( 2.982 -0.482 1.632) 3.433 4.685 ( -4.660 -4.826 -1.295) 6.833 4.830 ( 4.477 3.292 -1.928) 5.882 4.907 ( -1.284 0.776 2.573) 2.978 4.937 ( 0.356 1.430 -4.085) 4.342 5.015 ( -6.612 -1.651 -0.279) 6.821 5.205 ( -0.628 3.314 1.127) 3.556 5.311 ( 0.773 1.223 1.961) 2.437 5.488 ( 0.741 2.088 -3.254) 3.937 5.602 ( -3.291 -0.112 1.757) 3.732 5.986 ( 2.431 2.831 -0.665) 3.790 6.057 ( -2.961 1.111 1.106) 3.350 6.166 ( -0.277 4.929 1.148) 5.069 6.270 ( 1.663 -0.622 0.863) 1.974 7.032 ( 2.383 4.242 -2.241) 5.357 7.089 ( 0.924 2.388 1.146) 2.805 7.180 ( 1.155 -2.181 -3.875) 4.594 7.268 ( -5.335 -5.041 1.956) 7.596 7.548 ( -3.616 4.045 0.650) 5.464 7.731 ( -0.352 -1.405 1.187) 1.872 8.300 ( 2.754 0.729 -0.238) 2.859 8.482 ( 2.630 -8.369 -0.142) 8.774 8.912 ( -1.369 4.205 0.828) 4.499 9.119 ( -0.036 -2.976 0.497) 3.018 9.368 ( 0.197 -2.578 0.587) 2.651 9.418 ( 0.841 -5.153 -0.670) 5.264 9.620 ( 2.588 -1.435 0.110) 2.962 9.704 ( -4.267 -5.649 -1.267) 7.192 10.173 ( 5.785 0.344 -1.289) 5.936 10.263 ( -0.916 -4.111 -1.805) 4.582 10.556 ( -1.911 2.027 1.630) 3.228 10.638 ( 0.964 -1.159 1.130) 1.884 10.839 ( -3.987 -0.602 1.733) 4.389 10.930 ( -6.769 -4.010 -1.695) 8.048 11.566 ( 0.654 1.931 0.038) 2.039 11.637 ( -0.378 -0.908 0.505) 1.106 12.717 ( 3.818 1.278 -0.575) 4.067 12.731 ( 3.427 0.267 0.052) 3.437 12.996 ( 0.385 1.686 0.151) 1.736 13.120 ( 0.936 -4.162 0.101) 4.267 13.736 ( 1.369 -0.522 -0.333) 1.503 13.778 ( -2.180 -2.543 -0.353) 3.368 13.939 ( 3.966 4.546 1.538) 6.226 14.049 ( -1.253 0.289 0.192) 1.300 14.331 ( -3.282 0.500 -1.422) 3.611 14.501 ( 1.789 -6.765 -2.075) 7.298 15.024 ( -1.239 1.062 3.003) 3.418 15.114 ( -5.853 -2.338 -1.370) 6.450 15.613 ( 1.461 0.328 0.210) 1.512 15.641 ( -0.607 0.399 -0.382) 0.821 15.708 ( 3.969 -0.483 -2.161) 4.545 15.790 ( -1.993 -2.543 1.881) 3.739 16.364 ( 4.688 -0.092 0.925) 4.780 16.394 ( 4.844 -1.717 -0.489) 5.163 16.918 ( -2.591 1.947 0.489) 3.278 16.981 ( -2.452 -1.195 0.570) 2.787 19.360 ( 1.941 2.235 0.016) 2.960 19.442 ( 0.476 -1.375 0.507) 1.541 20.880 ( -0.845 0.962 0.112) 1.285 20.943 ( -1.142 -1.813 -0.295) 2.163 21.827 ( 5.799 2.591 -0.651) 6.385 21.891 ( 1.049 -0.168 -0.137) 1.071 22.812 ( -2.616 2.268 -0.726) 3.537 22.863 ( -3.752 -0.034 0.667) 3.811 27.157 ( 11.993 6.121 -0.027) 13.465 27.581 ( 10.936 -14.672 1.543) 18.364 28.391 ( -14.402 5.682 -0.183) 15.484 28.678 ( -10.890 -7.410 -1.483) 13.255 30.973 ( 3.162 -1.178 0.133) 3.376 30.990 ( 3.546 -1.660 0.002) 3.915 31.425 ( 1.825 2.059 0.482) 2.793 31.499 ( 3.358 -1.347 -0.755) 3.696 31.651 ( 5.510 1.927 -0.649) 5.873 31.750 ( -0.746 -3.311 1.357) 3.656 31.969 ( -5.870 0.471 0.734) 5.934 31.979 ( -6.479 -0.025 -1.237) 6.596 33.320 ( 7.631 1.142 -0.190) 7.719 33.405 ( 8.200 -2.384 -0.204) 8.542 33.707 ( -5.965 2.707 0.245) 6.555 33.831 ( -6.901 -2.506 0.086) 7.343 35.467 ( 1.323 4.851 -1.421) 5.225 35.518 ( -0.478 3.154 1.226) 3.417 35.911 ( 1.143 0.251 -1.793) 2.141 36.006 ( 0.281 -4.995 -0.424) 5.021 36.383 ( 6.498 7.155 4.403) 10.621 36.493 ( -2.912 4.156 -3.243) 6.022 37.720 ( 0.482 2.279 1.201) 2.621 37.986 ( -8.459 -8.790 -0.589) 12.214 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 -22.392 0.000) 22.392 1.297 ( 0.000 22.392 0.000) 22.392 1.631 ( 0.000 -18.078 0.000) 18.078 1.631 ( 0.000 18.078 0.000) 18.078 1.934 ( 0.000 -6.091 0.000) 6.091 1.934 ( 0.000 6.091 0.000) 6.091 2.566 ( 0.000 -6.018 0.000) 6.018 2.566 ( 0.000 6.018 0.000) 6.018 2.708 ( 0.000 -2.748 0.000) 2.748 2.708 ( 0.000 2.748 0.000) 2.748 3.058 ( 0.000 -4.130 0.000) 4.130 3.058 ( 0.000 4.130 0.000) 4.130 3.490 ( 0.000 -11.530 0.000) 11.530 3.490 ( 0.000 11.530 0.000) 11.530 3.727 ( 0.000 -9.353 0.000) 9.353 3.727 ( 0.000 9.353 0.000) 9.353 4.090 ( 0.000 -0.527 0.000) 0.527 4.090 ( 0.000 0.527 0.000) 0.527 4.469 ( 0.000 -1.166 0.000) 1.166 4.469 ( 0.000 1.166 0.000) 1.166 4.601 ( 0.000 -4.077 0.000) 4.077 4.601 ( 0.000 4.077 0.000) 4.077 4.879 ( 0.000 -1.046 0.000) 1.046 4.879 ( 0.000 1.046 0.000) 1.046 5.209 ( 0.000 -4.164 0.000) 4.164 5.209 ( 0.000 4.164 0.000) 4.164 5.495 ( 0.000 -7.421 0.000) 7.421 5.495 ( 0.000 7.421 0.000) 7.421 5.678 ( 0.000 -1.598 0.000) 1.598 5.678 ( 0.000 1.598 0.000) 1.598 6.076 ( 0.000 -5.092 0.000) 5.092 6.076 ( 0.000 5.092 0.000) 5.092 6.208 ( 0.000 -0.123 0.000) 0.123 6.208 ( 0.000 0.123 0.000) 0.123 6.845 ( 0.000 -0.224 0.000) 0.224 6.845 ( 0.000 0.224 0.000) 0.224 7.544 ( 0.000 -4.423 0.000) 4.423 7.544 ( 0.000 4.423 0.000) 4.423 7.794 ( 0.000 -3.876 0.000) 3.876 7.794 ( 0.000 3.876 0.000) 3.876 8.071 ( 0.000 -4.494 0.000) 4.494 8.071 ( 0.000 4.494 0.000) 4.494 9.034 ( 0.000 -7.485 0.000) 7.485 9.034 ( 0.000 7.485 0.000) 7.485 9.383 ( 0.000 -2.738 0.000) 2.738 9.383 ( 0.000 2.738 0.000) 2.738 9.694 ( 0.000 -0.817 0.000) 0.817 9.694 ( 0.000 0.817 0.000) 0.817 10.010 ( 0.000 -5.130 0.000) 5.130 10.010 ( 0.000 5.130 0.000) 5.130 10.553 ( 0.000 -1.697 0.000) 1.697 10.553 ( 0.000 1.697 0.000) 1.697 11.391 ( 0.000 -1.496 0.000) 1.496 11.391 ( 0.000 1.496 0.000) 1.496 11.611 ( 0.000 -0.916 0.000) 0.916 11.611 ( 0.000 0.916 0.000) 0.916 12.232 ( 0.000 -2.179 0.000) 2.179 12.232 ( 0.000 2.179 0.000) 2.179 13.059 ( 0.000 -0.255 0.000) 0.255 13.059 ( 0.000 0.255 0.000) 0.255 13.582 ( 0.000 -1.046 0.000) 1.046 13.582 ( 0.000 1.046 0.000) 1.046 14.047 ( 0.000 -1.098 0.000) 1.098 14.047 ( 0.000 1.098 0.000) 1.098 14.584 ( 0.000 -1.440 0.000) 1.440 14.584 ( 0.000 1.440 0.000) 1.440 15.180 ( 0.000 -1.782 0.000) 1.782 15.180 ( 0.000 1.782 0.000) 1.782 15.503 ( 0.000 -1.806 0.000) 1.806 15.503 ( 0.000 1.806 0.000) 1.806 15.780 ( 0.000 -5.370 0.000) 5.370 15.780 ( 0.000 5.370 0.000) 5.370 15.939 ( 0.000 -1.584 0.000) 1.584 15.939 ( 0.000 1.584 0.000) 1.584 17.119 ( 0.000 -1.126 0.000) 1.126 17.119 ( 0.000 1.126 0.000) 1.126 19.279 ( 0.000 -3.584 0.000) 3.584 19.279 ( 0.000 3.584 0.000) 3.584 21.061 ( 0.000 -1.849 0.000) 1.849 21.061 ( 0.000 1.849 0.000) 1.849 21.528 ( 0.000 -3.362 0.000) 3.362 21.528 ( 0.000 3.362 0.000) 3.362 23.133 ( 0.000 -0.980 0.000) 0.980 23.133 ( 0.000 0.980 0.000) 0.980 26.402 ( 0.000 -0.006 0.000) 0.006 26.402 ( 0.000 0.006 0.000) 0.006 29.764 ( 0.000 -12.166 0.000) 12.166 29.764 ( 0.000 12.166 0.000) 12.166 30.370 ( 0.000 -6.012 0.000) 6.012 30.370 ( 0.000 6.012 0.000) 6.012 31.218 ( 0.000 -2.119 0.000) 2.119 31.218 ( 0.000 2.119 0.000) 2.119 31.648 ( 0.000 -4.548 0.000) 4.548 31.648 ( 0.000 4.548 0.000) 4.548 32.563 ( 0.000 -1.285 0.000) 1.285 32.563 ( 0.000 1.285 0.000) 1.285 32.660 ( 0.000 -0.265 0.000) 0.265 32.660 ( 0.000 0.265 0.000) 0.265 34.103 ( 0.000 -4.470 0.000) 4.470 34.103 ( 0.000 4.470 0.000) 4.470 35.503 ( 0.000 -7.409 0.000) 7.409 35.503 ( 0.000 7.409 0.000) 7.409 35.832 ( 0.000 -9.305 0.000) 9.305 35.832 ( 0.000 9.305 0.000) 9.305 36.232 ( 0.000 -7.823 0.000) 7.823 36.232 ( 0.000 7.823 0.000) 7.823 38.356 ( 0.000 -6.454 0.000) 6.454 38.356 ( 0.000 6.454 0.000) 6.454 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.324 -15.705 3.055) 16.003 1.306 ( 0.324 15.705 3.055) 16.003 1.746 ( 8.936 -10.766 -4.872) 14.815 1.746 ( 8.936 10.766 -4.872) 14.816 1.950 ( 4.928 -5.356 3.653) 8.143 1.950 ( 4.928 5.356 3.653) 8.143 2.523 ( -5.676 -3.495 2.989) 7.305 2.523 ( -5.676 3.495 2.989) 7.305 2.716 ( 3.447 -5.065 -3.165) 6.896 2.716 ( 3.447 5.065 -3.165) 6.896 3.126 ( 4.738 -2.984 -0.203) 5.603 3.126 ( 4.738 2.984 -0.203) 5.603 3.515 ( 1.398 -7.711 0.793) 7.877 3.515 ( 1.398 7.711 0.793) 7.877 3.723 ( 1.393 -11.518 -4.691) 12.515 3.723 ( 1.393 11.518 -4.691) 12.515 4.098 ( -0.810 -5.978 3.804) 7.131 4.098 ( -0.810 5.978 3.804) 7.131 4.440 ( -0.891 -3.190 -0.629) 3.371 4.440 ( -0.891 3.190 -0.629) 3.371 4.628 ( 1.627 -4.281 1.349) 4.775 4.628 ( 1.627 4.281 1.349) 4.775 4.876 ( -0.613 -4.305 -0.265) 4.357 4.876 ( -0.613 4.305 -0.265) 4.357 5.155 ( -5.439 -7.214 -2.172) 9.292 5.155 ( -5.439 7.214 -2.172) 9.292 5.419 ( -5.560 -4.770 4.063) 8.377 5.419 ( -5.560 4.770 4.063) 8.377 5.684 ( -0.944 -5.833 -4.352) 7.338 5.684 ( -0.944 5.833 -4.352) 7.338 6.058 ( -0.988 -2.644 0.687) 2.905 6.058 ( -0.988 2.644 0.687) 2.905 6.207 ( -0.154 -1.225 1.627) 2.042 6.207 ( -0.154 1.225 1.627) 2.042 6.905 ( 5.349 -2.216 -1.852) 6.079 6.905 ( 5.349 2.216 -1.852) 6.079 7.444 ( -8.014 -2.410 -0.889) 8.416 7.444 ( -8.014 2.410 -0.889) 8.416 7.799 ( -1.458 -2.800 1.172) 3.367 7.799 ( -1.458 2.800 1.172) 3.367 8.116 ( 5.018 -5.269 0.699) 7.310 8.116 ( 5.018 5.269 0.699) 7.310 9.052 ( 1.210 -6.542 1.030) 6.732 9.052 ( 1.210 6.542 1.030) 6.732 9.346 ( -2.787 -2.528 0.239) 3.770 9.346 ( -2.787 2.528 0.239) 3.770 9.673 ( -1.442 -3.727 -1.908) 4.428 9.673 ( -1.442 3.727 -1.908) 4.428 10.064 ( 4.292 -3.793 -0.589) 5.758 10.064 ( 4.292 3.793 -0.589) 5.758 10.563 ( 0.820 -1.837 0.771) 2.154 10.563 ( 0.820 1.837 0.771) 2.154 11.300 ( -9.900 -0.375 -0.372) 9.914 11.300 ( -9.900 0.375 -0.372) 9.914 11.588 ( -0.259 -2.596 0.899) 2.760 11.588 ( -0.259 2.596 0.899) 2.760 12.357 ( 10.785 -1.665 -0.349) 10.919 12.357 ( 10.785 1.665 -0.349) 10.919 13.044 ( -0.988 -0.992 0.167) 1.410 13.044 ( -0.988 0.992 0.167) 1.410 13.640 ( 5.096 -2.676 0.673) 5.795 13.640 ( 5.096 2.676 0.673) 5.795 14.005 ( -3.628 -1.534 0.449) 3.965 14.005 ( -3.628 1.534 0.449) 3.965 14.543 ( -3.547 -1.479 -4.501) 5.919 14.543 ( -3.547 1.479 -4.501) 5.919 15.213 ( 0.580 -3.271 3.167) 4.590 15.213 ( 0.580 3.271 3.167) 4.590 15.528 ( 3.105 -1.673 -0.339) 3.543 15.528 ( 3.105 1.673 -0.339) 3.543 15.742 ( -2.183 -4.472 -2.490) 5.565 15.742 ( -2.183 4.472 -2.490) 5.565 16.028 ( 7.707 -2.281 2.881) 8.538 16.028 ( 7.707 2.281 2.881) 8.538 17.093 ( -2.581 -1.384 0.844) 3.047 17.093 ( -2.581 1.384 0.844) 3.047 19.304 ( 2.410 -3.574 0.858) 4.396 19.304 ( 2.410 3.574 0.858) 4.396 21.015 ( -3.639 -1.821 -0.638) 4.119 21.015 ( -3.639 1.821 -0.638) 4.119 21.608 ( 7.033 -4.305 -0.802) 8.285 21.608 ( 7.033 4.305 -0.802) 8.285 23.076 ( -5.283 -2.002 -0.143) 5.652 23.076 ( -5.283 2.002 -0.143) 5.652 26.575 ( 16.210 -4.161 0.466) 16.742 26.575 ( 16.210 4.161 0.466) 16.742 29.439 ( -24.960 -6.198 -1.400) 25.756 29.439 ( -24.960 6.198 -1.400) 25.756 30.597 ( 15.280 -1.649 0.919) 15.396 30.597 ( 15.280 1.649 0.919) 15.396 31.260 ( 4.182 -2.056 -0.047) 4.660 31.260 ( 4.182 2.056 -0.047) 4.660 31.650 ( 0.186 -5.853 0.103) 5.857 31.650 ( 0.186 5.853 0.103) 5.857 32.358 ( -11.724 -1.312 -0.175) 11.799 32.358 ( -11.724 1.312 -0.175) 11.799 32.882 ( 13.399 -1.682 -0.322) 13.508 32.882 ( 13.399 1.682 -0.322) 13.508 34.055 ( -4.798 -4.281 0.172) 6.433 34.055 ( -4.798 4.281 0.172) 6.433 35.513 ( 0.940 -6.075 -0.998) 6.227 35.513 ( 0.940 6.075 -0.998) 6.227 35.854 ( 2.037 -7.471 -1.466) 7.881 35.854 ( 2.037 7.471 -1.466) 7.881 36.275 ( 4.192 -7.697 2.069) 9.005 36.275 ( 4.192 7.697 2.069) 9.005 38.247 ( -10.161 -8.565 -0.072) 13.290 38.247 ( -10.161 8.565 -0.072) 13.290 ======================= Grid point 25 (15/88) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -2.033 -7.672 3.863) 8.827 1.290 ( -2.033 7.672 3.863) 8.827 1.885 ( 6.116 -5.877 0.382) 8.491 1.885 ( 6.116 5.877 0.382) 8.491 2.196 ( 15.355 -7.295 -3.234) 17.305 2.196 ( 15.355 7.295 -3.234) 17.305 2.397 ( -3.711 -7.099 3.731) 8.837 2.397 ( -3.711 7.099 3.731) 8.837 2.849 ( 8.721 -5.246 -1.503) 10.287 2.849 ( 8.721 5.246 -1.503) 10.287 3.166 ( -0.444 -1.908 0.465) 2.014 3.166 ( -0.444 1.908 0.465) 2.014 3.501 ( -3.091 -6.099 -0.683) 6.872 3.501 ( -3.091 6.099 -0.683) 6.872 3.822 ( 7.726 -8.043 -4.272) 11.943 3.822 ( 7.726 8.043 -4.272) 11.943 4.050 ( -2.955 -10.593 4.255) 11.792 4.050 ( -2.955 10.593 4.255) 11.792 4.426 ( -2.154 -1.240 0.911) 2.647 4.426 ( -2.154 1.240 0.911) 2.647 4.643 ( -1.427 -6.493 1.109) 6.739 4.643 ( -1.427 6.493 1.109) 6.739 4.859 ( -0.042 -5.387 -0.604) 5.421 4.859 ( -0.042 5.387 -0.604) 5.421 5.036 ( -4.580 -5.335 -5.879) 9.165 5.036 ( -4.580 5.335 -5.879) 9.165 5.330 ( -3.644 -3.050 2.872) 5.553 5.330 ( -3.644 3.050 2.872) 5.553 5.618 ( -4.570 -6.263 -0.927) 7.809 5.618 ( -4.570 6.263 -0.927) 7.809 6.053 ( -0.002 -3.345 1.081) 3.515 6.053 ( -0.002 3.345 1.081) 3.515 6.215 ( 1.132 -0.850 1.977) 2.431 6.215 ( 1.132 0.850 1.977) 2.431 7.019 ( 5.779 -3.238 -4.120) 7.801 7.019 ( 5.779 3.238 -4.120) 7.801 7.285 ( -7.402 -4.240 0.133) 8.531 7.285 ( -7.402 4.240 0.133) 8.531 7.731 ( -4.734 -2.682 2.711) 6.079 7.731 ( -4.734 2.682 2.711) 6.079 8.246 ( 6.973 -4.855 -0.176) 8.499 8.246 ( 6.973 4.855 -0.176) 8.499 9.053 ( -1.412 -5.454 1.640) 5.868 9.053 ( -1.412 5.454 1.640) 5.868 9.319 ( 0.559 -1.233 -0.258) 1.379 9.319 ( 0.559 1.233 -0.258) 1.379 9.646 ( -1.184 -4.299 -1.903) 4.849 9.646 ( -1.184 4.299 -1.903) 4.849 10.144 ( 3.610 -3.438 -1.707) 5.269 10.144 ( 3.610 3.438 -1.707) 5.269 10.581 ( 0.923 -0.898 1.955) 2.341 10.581 ( 0.923 0.898 1.955) 2.341 11.059 ( -12.638 -2.401 -0.590) 12.877 11.059 ( -12.638 2.401 -0.590) 12.877 11.599 ( 0.627 -2.820 0.970) 3.048 11.599 ( 0.627 2.820 0.970) 3.048 12.584 ( 10.774 -0.822 -0.559) 10.820 12.584 ( 10.774 0.822 -0.559) 10.820 13.034 ( -0.005 -2.265 0.287) 2.284 13.034 ( -0.005 2.265 0.287) 2.284 13.735 ( 2.851 -2.792 -0.258) 3.998 13.735 ( 2.851 2.792 -0.258) 3.998 13.959 ( 0.736 -3.091 1.702) 3.604 13.959 ( 0.736 3.091 1.702) 3.604 14.455 ( -4.763 -1.998 -4.630) 6.937 14.455 ( -4.763 1.998 -4.630) 6.937 15.163 ( -5.078 -3.942 2.220) 6.801 15.163 ( -5.078 3.942 2.220) 6.801 15.591 ( 2.354 -1.079 0.862) 2.729 15.591 ( 2.354 1.079 0.862) 2.729 15.728 ( 0.717 -4.088 -2.081) 4.643 15.728 ( 0.717 4.088 -2.081) 4.643 16.211 ( 9.832 -1.327 1.662) 10.059 16.211 ( 9.832 1.327 1.662) 10.059 17.026 ( -4.075 -1.541 1.091) 4.491 17.026 ( -4.075 1.541 1.091) 4.491 19.361 ( 2.910 -3.092 0.836) 4.328 19.361 ( 2.910 3.092 0.836) 4.328 20.947 ( -2.911 -1.824 -0.520) 3.474 20.947 ( -2.911 1.824 -0.520) 3.474 21.758 ( 7.472 -3.843 -0.974) 8.458 21.758 ( 7.472 3.843 -0.974) 8.458 22.952 ( -6.530 -2.084 -0.079) 6.855 22.952 ( -6.530 2.084 -0.079) 6.855 26.963 ( 21.225 -9.270 0.717) 23.172 26.963 ( 21.225 9.270 0.717) 23.172 28.931 ( -24.979 -5.267 -1.298) 25.561 28.931 ( -24.979 5.267 -1.298) 25.561 30.846 ( 9.404 -0.638 0.331) 9.432 30.846 ( 9.404 0.638 0.331) 9.432 31.370 ( 6.258 -1.740 0.235) 6.500 31.370 ( 6.258 1.740 0.235) 6.500 31.657 ( 0.758 -5.645 0.160) 5.698 31.657 ( 0.758 5.645 0.160) 5.698 32.143 ( -10.000 -0.777 -0.512) 10.043 32.143 ( -10.000 0.777 -0.512) 10.043 33.141 ( 12.634 -1.910 -0.339) 12.782 33.141 ( 12.634 1.910 -0.339) 12.782 33.925 ( -7.973 -3.859 0.226) 8.861 33.925 ( -7.973 3.859 0.226) 8.861 35.531 ( 0.816 -3.441 -0.835) 3.634 35.531 ( 0.816 3.441 -0.835) 3.634 35.896 ( 2.082 -4.234 -1.951) 5.106 35.896 ( 2.082 4.234 -1.951) 5.106 36.388 ( 6.630 -7.060 2.438) 9.987 36.388 ( 6.630 7.060 2.438) 9.987 38.010 ( -12.430 -10.355 -0.092) 16.178 38.010 ( -12.430 10.355 -0.092) 16.178 ======================= Grid point 27 (16/88) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -1.232 -3.903 1.439) 4.338 1.254 ( -1.232 3.903 1.439) 4.338 1.959 ( 0.973 -4.262 1.294) 4.559 1.959 ( 0.973 4.262 1.294) 4.559 2.312 ( 1.740 -9.451 -0.369) 9.617 2.312 ( 1.740 9.451 -0.369) 9.617 2.525 ( 7.398 -8.537 -0.343) 11.302 2.525 ( 7.398 8.537 -0.343) 11.302 2.998 ( 5.782 -3.579 -2.858) 7.377 2.998 ( 5.782 3.579 -2.858) 7.377 3.190 ( 3.835 -4.062 5.382) 7.757 3.190 ( 3.835 4.062 5.382) 7.757 3.384 ( -7.979 -7.576 -3.374) 11.508 3.384 ( -7.979 7.576 -3.374) 11.508 3.924 ( 1.619 -3.152 -0.100) 3.545 3.924 ( 1.619 3.152 -0.100) 3.545 4.045 ( 2.045 -3.200 1.479) 4.076 4.045 ( 2.045 3.200 1.479) 4.076 4.349 ( -4.048 -2.084 0.016) 4.553 4.349 ( -4.048 2.084 0.016) 4.553 4.580 ( -2.690 -2.496 -0.089) 3.671 4.580 ( -2.690 2.496 -0.089) 3.671 4.882 ( 0.920 -2.730 -0.067) 2.882 4.882 ( 0.920 2.730 -0.067) 2.882 4.983 ( -0.958 -2.305 -3.972) 4.691 4.983 ( -0.958 2.305 -3.972) 4.691 5.289 ( -0.563 -3.560 1.730) 3.998 5.289 ( -0.563 3.560 1.730) 3.998 5.548 ( -2.003 -4.160 0.242) 4.623 5.548 ( -2.003 4.160 0.242) 4.623 6.048 ( -0.378 -2.243 0.534) 2.336 6.048 ( -0.378 2.243 0.534) 2.336 6.243 ( 1.116 -2.415 1.000) 2.842 6.243 ( 1.116 2.415 1.000) 2.842 7.104 ( 2.521 -2.120 -4.190) 5.330 7.104 ( 2.521 2.120 -4.190) 5.330 7.177 ( -3.067 -3.369 2.131) 5.030 7.177 ( -3.067 3.369 2.131) 5.030 7.652 ( -2.596 -5.605 1.436) 6.342 7.652 ( -2.596 5.605 1.436) 6.342 8.350 ( 2.967 -4.517 -0.165) 5.407 8.350 ( 2.967 4.517 -0.165) 5.407 9.020 ( -1.252 -6.184 0.832) 6.364 9.020 ( -1.252 6.184 0.832) 6.364 9.346 ( 1.278 -1.425 -0.196) 1.924 9.346 ( 1.278 1.425 -0.196) 1.924 9.627 ( -0.599 -2.073 -0.758) 2.287 9.627 ( -0.599 2.073 -0.758) 2.287 10.198 ( 1.706 -2.261 -1.323) 3.126 10.198 ( 1.706 2.261 -1.323) 3.126 10.600 ( 0.764 -2.296 1.782) 3.005 10.600 ( 0.764 2.296 1.782) 3.005 10.861 ( -6.189 -2.578 -0.573) 6.729 10.861 ( -6.189 2.578 -0.573) 6.729 11.607 ( 0.205 -1.955 0.311) 1.991 11.607 ( 0.205 1.955 0.311) 1.991 12.733 ( 3.866 -0.273 -0.282) 3.886 12.733 ( 3.866 0.273 -0.282) 3.886 13.043 ( 0.705 -3.152 0.134) 3.233 13.043 ( 0.705 3.152 0.134) 3.233 13.740 ( -0.746 -1.078 -0.393) 1.369 13.740 ( -0.746 1.078 -0.393) 1.369 14.024 ( 3.126 -3.125 1.477) 4.660 14.024 ( 3.126 3.125 1.477) 4.660 14.378 ( -2.135 -4.561 -2.415) 5.585 14.378 ( -2.135 4.561 -2.415) 5.585 15.064 ( -3.656 -2.549 0.995) 4.567 15.064 ( -3.656 2.549 0.995) 4.567 15.627 ( 1.258 -1.044 -0.181) 1.645 15.627 ( 1.258 1.044 -0.181) 1.645 15.737 ( -0.008 -2.498 -0.119) 2.501 15.737 ( -0.008 2.498 -0.119) 2.501 16.370 ( 4.990 -0.695 0.291) 5.046 16.370 ( 4.990 0.695 0.291) 5.046 16.954 ( -2.518 -1.579 0.548) 3.022 16.954 ( -2.518 1.579 0.548) 3.022 19.405 ( 1.287 -2.187 0.301) 2.556 19.405 ( 1.287 2.187 0.301) 2.556 20.907 ( -1.062 -1.646 -0.157) 1.965 20.907 ( -1.062 1.646 -0.157) 1.965 21.872 ( 3.389 -1.702 -0.424) 3.816 21.872 ( 3.389 1.702 -0.424) 3.816 22.850 ( -3.136 -1.332 -0.002) 3.407 22.850 ( -3.136 1.332 -0.002) 3.407 27.324 ( 12.497 -10.655 0.493) 16.431 27.324 ( 12.497 10.655 0.493) 16.431 28.525 ( -13.550 -7.464 -0.679) 15.485 28.525 ( -13.550 7.464 -0.679) 15.485 30.967 ( 3.043 -0.515 0.010) 3.087 30.967 ( 3.043 0.515 0.010) 3.087 31.467 ( 2.675 -1.896 0.159) 3.283 31.467 ( 2.675 1.896 0.159) 3.283 31.690 ( 2.255 -2.384 0.284) 3.294 31.690 ( 2.255 2.384 0.284) 3.294 31.979 ( -5.705 -0.286 -0.466) 5.731 31.979 ( -5.705 0.286 -0.466) 5.731 33.355 ( 7.833 -2.298 -0.219) 8.166 33.355 ( 7.833 2.298 -0.219) 8.166 33.770 ( -6.410 -3.353 0.170) 7.236 33.770 ( -6.410 3.353 0.170) 7.236 35.542 ( 0.290 -1.564 -0.271) 1.614 35.542 ( 0.290 1.564 -0.271) 1.614 35.925 ( 0.782 -2.280 -0.845) 2.554 35.925 ( 0.782 2.280 -0.845) 2.554 36.501 ( 3.650 -3.452 1.023) 5.126 36.501 ( 3.650 3.452 1.023) 5.126 37.817 ( -5.789 -7.235 -0.061) 9.266 37.817 ( -5.789 7.235 -0.061) 9.266 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -8.373 0.000 26.736) 28.016 0.779 ( -3.979 0.000 35.486) 35.708 1.156 ( 3.842 0.000 49.091) 49.241 1.825 ( 0.956 0.000 -3.457) 3.586 1.988 ( 1.882 0.000 3.782) 4.224 2.091 ( -4.014 0.000 1.975) 4.474 2.337 ( -4.320 0.000 -0.133) 4.322 2.517 ( -4.794 0.000 -1.789) 5.117 2.651 ( 3.473 0.000 -2.212) 4.118 2.870 ( -10.242 0.000 -2.470) 10.536 2.910 ( 22.289 0.000 -1.703) 22.354 3.025 ( -4.007 0.000 0.444) 4.032 3.277 ( -0.336 0.000 0.331) 0.472 3.399 ( -4.465 0.000 5.300) 6.930 3.781 ( 2.609 0.000 -1.771) 3.153 3.869 ( 4.041 0.000 3.365) 5.259 4.031 ( 0.273 0.000 -3.231) 3.243 4.092 ( -4.030 0.000 -0.208) 4.036 4.256 ( -1.312 0.000 -4.299) 4.495 4.335 ( -7.248 0.000 -7.249) 10.251 4.485 ( 6.050 0.000 -1.963) 6.361 4.534 ( -2.474 0.000 -1.178) 2.740 4.790 ( 0.104 0.000 2.051) 2.053 4.844 ( 4.450 0.000 -2.013) 4.884 4.993 ( -6.734 0.000 -0.680) 6.768 5.020 ( -0.587 0.000 -0.366) 0.692 5.236 ( 7.094 0.000 -5.394) 8.912 5.352 ( -4.194 0.000 2.425) 4.845 5.541 ( 7.264 0.000 5.998) 9.421 5.961 ( -3.843 0.000 1.744) 4.220 6.038 ( -1.441 0.000 -0.210) 1.456 6.058 ( 3.694 0.000 0.410) 3.716 6.269 ( -7.347 0.000 -6.468) 9.788 6.565 ( 6.768 0.000 -1.721) 6.983 6.708 ( 0.423 0.000 -0.005) 0.423 6.811 ( -4.190 0.000 1.974) 4.632 7.263 ( -1.073 0.000 -0.179) 1.088 7.310 ( -0.440 0.000 3.052) 3.084 7.748 ( -6.127 0.000 2.467) 6.605 8.012 ( -0.417 0.000 -4.164) 4.185 8.139 ( 11.805 0.000 -1.213) 11.867 8.269 ( -6.850 0.000 -1.769) 7.075 9.091 ( 0.447 0.000 -1.622) 1.683 9.192 ( 3.456 0.000 3.851) 5.174 9.531 ( -3.770 0.000 -1.995) 4.265 9.535 ( -5.882 0.000 -1.365) 6.038 9.678 ( 1.504 0.000 0.859) 1.732 9.830 ( 1.349 0.000 1.952) 2.372 10.067 ( 1.879 0.000 -4.484) 4.862 10.232 ( 0.347 0.000 -1.488) 1.528 10.503 ( -3.678 0.000 1.805) 4.097 10.739 ( 6.854 0.000 -1.641) 7.048 11.423 ( 1.009 0.000 0.905) 1.356 11.555 ( 1.331 0.000 -0.161) 1.341 11.605 ( -2.115 0.000 0.118) 2.118 11.735 ( 3.074 0.000 3.792) 4.882 12.137 ( -1.458 0.000 0.997) 1.767 12.301 ( -6.501 0.000 -0.646) 6.533 13.020 ( 4.826 0.000 -1.885) 5.181 13.083 ( 1.907 0.000 0.284) 1.928 13.490 ( 0.590 0.000 -0.672) 0.894 13.560 ( -7.635 0.000 -0.401) 7.645 13.910 ( -1.005 0.000 3.595) 3.733 14.155 ( 3.557 0.000 -0.060) 3.558 14.220 ( 1.641 0.000 -0.810) 1.831 14.512 ( -1.595 0.000 -3.086) 3.474 15.223 ( 6.432 0.000 0.699) 6.470 15.296 ( -2.296 0.000 -0.277) 2.312 15.443 ( 1.704 0.000 -1.230) 2.101 15.487 ( -0.009 0.000 -0.046) 0.046 15.822 ( 2.213 0.000 -1.797) 2.851 15.846 ( -8.090 0.000 -1.513) 8.230 16.007 ( 3.933 0.000 2.462) 4.640 16.301 ( -3.852 0.000 0.966) 3.971 17.041 ( 1.112 0.000 1.401) 1.789 17.135 ( 0.377 0.000 0.088) 0.387 19.131 ( -0.218 0.000 1.524) 1.540 19.423 ( 2.419 0.000 -2.231) 3.291 20.974 ( -0.073 0.000 0.281) 0.290 21.112 ( -0.526 0.000 -0.799) 0.956 21.237 ( -0.884 0.000 0.482) 1.007 21.653 ( 0.808 0.000 -0.194) 0.831 22.925 ( -0.993 0.000 -0.259) 1.026 23.157 ( -1.347 0.000 0.914) 1.628 26.402 ( 0.806 0.000 0.081) 0.810 26.436 ( 13.001 0.000 -0.003) 13.001 29.548 ( 2.561 0.000 1.814) 3.139 29.702 ( -6.548 0.000 -1.188) 6.655 30.635 ( 3.565 0.000 1.365) 3.817 30.926 ( 2.500 0.000 -0.378) 2.528 31.238 ( -4.258 0.000 -0.792) 4.331 31.320 ( -25.712 0.000 0.448) 25.716 31.457 ( -0.560 0.000 -0.052) 0.563 31.636 ( 27.787 0.000 -3.227) 27.974 32.535 ( -5.834 0.000 0.602) 5.865 32.624 ( 2.412 0.000 1.384) 2.781 32.710 ( 7.088 0.000 2.553) 7.534 32.988 ( 1.182 0.000 -0.506) 1.286 33.939 ( 0.327 0.000 0.378) 0.500 34.189 ( 0.055 0.000 -2.709) 2.709 35.205 ( -1.112 0.000 1.117) 1.576 35.423 ( 1.482 0.000 -1.324) 1.987 35.839 ( 0.785 0.000 -0.001) 0.785 36.015 ( -23.818 0.000 -2.132) 23.913 36.195 ( 1.274 0.000 -0.412) 1.339 36.345 ( -0.939 0.000 3.412) 3.539 38.069 ( -0.600 0.000 2.945) 3.005 38.616 ( 2.194 0.000 -3.754) 4.348 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 15.793 0.000 13.537) 20.801 0.961 ( 24.289 0.000 15.947) 29.056 1.548 ( 20.488 0.000 36.770) 42.093 1.846 ( 0.109 0.000 -0.207) 0.234 1.951 ( -1.621 0.000 6.102) 6.313 2.069 ( 5.321 0.000 1.070) 5.427 2.280 ( 1.328 0.000 0.628) 1.469 2.492 ( 0.577 0.000 0.202) 0.611 2.634 ( -9.631 0.000 -4.884) 10.799 2.782 ( 7.956 0.000 1.659) 8.127 2.988 ( -2.499 0.000 -1.995) 3.197 3.146 ( -6.944 0.000 3.617) 7.830 3.279 ( 6.032 0.000 0.379) 6.044 3.451 ( 5.669 0.000 3.085) 6.454 3.817 ( 1.541 0.000 -0.913) 1.791 3.842 ( -8.145 0.000 1.201) 8.233 3.887 ( -5.125 0.000 -2.552) 5.725 4.098 ( 1.719 0.000 -3.928) 4.288 4.242 ( 2.180 0.000 -5.851) 6.244 4.264 ( -0.466 0.000 -2.228) 2.276 4.432 ( -3.104 0.000 -0.268) 3.116 4.674 ( 5.219 0.000 -6.945) 8.688 4.751 ( -0.733 0.000 -1.672) 1.825 4.911 ( -1.174 0.000 4.000) 4.169 4.964 ( -2.193 0.000 3.559) 4.180 5.048 ( 8.399 0.000 -7.051) 10.966 5.269 ( -3.436 0.000 4.269) 5.480 5.355 ( 3.905 0.000 -2.846) 4.832 5.639 ( -5.722 0.000 -1.223) 5.851 5.729 ( -13.579 0.000 4.480) 14.299 5.903 ( -3.193 0.000 -1.762) 3.647 6.028 ( -2.582 0.000 -0.168) 2.588 6.171 ( 0.890 0.000 3.604) 3.712 6.574 ( -7.699 0.000 7.922) 11.047 6.711 ( 2.632 0.000 -3.741) 4.574 6.884 ( 7.082 0.000 4.996) 8.667 7.234 ( -1.096 0.000 0.282) 1.132 7.335 ( 4.361 0.000 0.142) 4.363 7.626 ( -5.360 0.000 -1.758) 5.641 7.893 ( -10.814 0.000 -1.079) 10.868 8.217 ( 0.993 0.000 0.695) 1.212 8.342 ( 9.348 0.000 -3.495) 9.979 9.049 ( -2.264 0.000 6.186) 6.588 9.232 ( 0.554 0.000 2.969) 3.020 9.365 ( -4.463 0.000 -5.115) 6.788 9.542 ( 0.081 0.000 0.112) 0.138 9.745 ( 4.435 0.000 -2.089) 4.902 9.816 ( -2.045 0.000 1.248) 2.396 10.153 ( 5.602 0.000 -3.089) 6.398 10.204 ( -3.734 0.000 0.856) 3.831 10.452 ( -0.489 0.000 -1.826) 1.890 10.818 ( 0.868 0.000 -0.795) 1.177 11.354 ( -6.832 0.000 0.102) 6.833 11.397 ( -13.730 0.000 1.041) 13.770 11.511 ( -4.211 0.000 -0.392) 4.229 11.744 ( -1.898 0.000 2.488) 3.129 12.288 ( 12.042 0.000 0.295) 12.046 12.423 ( 11.483 0.000 -1.859) 11.633 13.002 ( -3.261 0.000 -1.124) 3.449 13.147 ( 2.882 0.000 -1.436) 3.220 13.536 ( 3.363 0.000 1.206) 3.573 13.778 ( 6.838 0.000 -7.973) 10.503 13.962 ( 8.533 0.000 -2.814) 8.984 14.160 ( -1.429 0.000 -4.430) 4.655 14.290 ( 2.920 0.000 -4.101) 5.034 14.443 ( -4.052 0.000 -3.679) 5.473 15.245 ( -3.051 0.000 -5.470) 6.263 15.286 ( 2.443 0.000 0.196) 2.451 15.403 ( -1.519 0.000 2.127) 2.614 15.598 ( 0.120 0.000 1.493) 1.497 15.774 ( 2.200 0.000 -0.869) 2.365 15.852 ( -3.266 0.000 1.437) 3.568 16.086 ( 10.373 0.000 -1.805) 10.529 16.286 ( 2.209 0.000 0.722) 2.324 17.038 ( -2.128 0.000 2.560) 3.329 17.137 ( -0.941 0.000 -0.532) 1.081 19.163 ( 2.937 0.000 1.441) 3.272 19.462 ( 1.271 0.000 -1.820) 2.219 20.970 ( -0.975 0.000 0.940) 1.354 21.050 ( -3.582 0.000 -1.663) 3.949 21.319 ( 7.962 0.000 -1.292) 8.066 21.735 ( 5.203 0.000 -0.818) 5.267 22.847 ( -4.444 0.000 -1.692) 4.755 23.133 ( -3.323 0.000 1.381) 3.599 26.494 ( 9.581 0.000 0.167) 9.582 27.182 ( 40.246 0.000 -34.998) 53.335 29.205 ( -25.380 0.000 3.459) 25.615 29.485 ( -23.091 0.000 4.177) 23.466 30.741 ( 5.771 0.000 9.743) 11.324 30.801 ( 1.985 0.000 7.719) 7.970 31.149 ( 5.038 0.000 0.136) 5.039 31.285 ( 3.824 0.000 0.550) 3.863 31.459 ( 0.561 0.000 0.362) 0.667 32.034 ( 7.451 0.000 -10.938) 13.235 32.312 ( -10.788 0.000 -1.279) 10.864 32.577 ( -10.223 0.000 1.090) 10.281 32.895 ( 11.620 0.000 3.604) 12.166 33.064 ( 6.363 0.000 2.881) 6.984 33.904 ( -3.872 0.000 0.458) 3.899 34.141 ( -4.555 0.000 -2.592) 5.241 35.206 ( 1.127 0.000 -0.030) 1.128 35.462 ( 1.774 0.000 0.555) 1.859 35.768 ( -0.467 0.000 0.530) 0.707 35.872 ( 2.781 0.000 0.278) 2.795 36.214 ( -0.449 0.000 -1.629) 1.689 36.336 ( 0.430 0.000 4.797) 4.816 37.833 ( -11.409 0.000 14.756) 18.652 38.561 ( -7.179 0.000 -4.207) 8.321 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 15.431 0.000 3.522) 15.828 1.561 ( 31.060 0.000 -0.829) 31.071 1.740 ( 0.899 0.000 8.994) 9.038 1.838 ( 0.387 0.000 3.585) 3.606 2.030 ( 4.716 0.000 10.399) 11.418 2.347 ( 7.627 0.000 7.681) 10.825 2.396 ( 12.465 0.000 3.672) 12.995 2.465 ( -0.267 0.000 1.507) 1.530 2.547 ( 4.518 0.000 1.334) 4.711 2.777 ( -10.632 0.000 -0.586) 10.648 2.960 ( 8.652 0.000 -1.371) 8.760 3.095 ( -6.211 0.000 4.517) 7.680 3.191 ( -8.035 0.000 2.472) 8.407 3.575 ( -1.615 0.000 -2.092) 2.643 3.638 ( -0.332 0.000 -0.285) 0.438 3.756 ( -0.641 0.000 1.179) 1.342 3.983 ( 4.455 0.000 -2.457) 5.088 4.157 ( 1.392 0.000 -1.522) 2.063 4.234 ( -4.593 0.000 -1.973) 4.999 4.307 ( 3.848 0.000 -2.576) 4.630 4.411 ( 3.128 0.000 -4.887) 5.802 4.686 ( -1.725 0.000 -2.481) 3.022 4.801 ( 4.196 0.000 -4.794) 6.371 4.872 ( -3.815 0.000 2.750) 4.703 4.926 ( 0.649 0.000 -0.019) 0.649 5.116 ( -7.196 0.000 -0.007) 7.196 5.216 ( 3.436 0.000 -0.214) 3.443 5.374 ( -4.629 0.000 7.737) 9.016 5.424 ( -0.598 0.000 -3.351) 3.404 5.694 ( -6.020 0.000 6.684) 8.996 5.837 ( -0.290 0.000 -4.409) 4.418 6.027 ( 1.189 0.000 -4.481) 4.636 6.171 ( -1.484 0.000 1.284) 1.963 6.333 ( -12.773 0.000 6.117) 14.162 6.817 ( 7.407 0.000 -7.510) 10.548 6.997 ( 2.303 0.000 6.671) 7.057 7.206 ( -1.806 0.000 0.509) 1.876 7.421 ( 1.256 0.000 -4.883) 5.042 7.547 ( -2.861 0.000 -0.017) 2.861 7.704 ( -5.026 0.000 0.771) 5.085 8.254 ( 2.620 0.000 1.359) 2.951 8.515 ( 8.272 0.000 -3.413) 8.949 8.995 ( -3.534 0.000 6.824) 7.685 9.225 ( -1.049 0.000 0.398) 1.122 9.340 ( 0.804 0.000 -3.350) 3.445 9.550 ( 0.901 0.000 1.001) 1.347 9.775 ( -1.925 0.000 1.325) 2.337 9.847 ( 5.081 0.000 -4.666) 6.898 10.104 ( -4.417 0.000 2.924) 5.297 10.249 ( 4.295 0.000 -3.598) 5.603 10.458 ( 0.018 0.000 -3.867) 3.867 10.817 ( -0.717 0.000 2.457) 2.559 11.123 ( -12.112 0.000 2.664) 12.401 11.176 ( -10.526 0.000 -0.369) 10.533 11.486 ( 0.840 0.000 -1.106) 1.389 11.694 ( -2.758 0.000 0.921) 2.908 12.517 ( 10.164 0.000 -0.911) 10.205 12.621 ( 8.168 0.000 0.055) 8.169 12.956 ( -1.189 0.000 -1.005) 1.557 13.188 ( 1.325 0.000 -2.022) 2.417 13.633 ( 6.334 0.000 2.118) 6.679 13.818 ( 1.553 0.000 -1.613) 2.239 13.983 ( -5.234 0.000 1.360) 5.407 14.123 ( -4.834 0.000 -0.674) 4.880 14.356 ( -0.255 0.000 -9.726) 9.730 14.394 ( 5.015 0.000 -6.024) 7.838 15.155 ( -6.081 0.000 -7.345) 9.536 15.223 ( -5.475 0.000 2.931) 6.210 15.503 ( 7.998 0.000 1.305) 8.104 15.576 ( -0.245 0.000 0.365) 0.439 15.733 ( -2.986 0.000 1.116) 3.188 15.915 ( 5.214 0.000 2.866) 5.949 16.278 ( 4.857 0.000 -0.018) 4.857 16.345 ( 6.211 0.000 -3.360) 7.061 16.975 ( -4.121 0.000 3.115) 5.166 17.085 ( -3.910 0.000 -0.128) 3.912 19.237 ( 4.165 0.000 1.058) 4.297 19.476 ( 0.149 0.000 -0.674) 0.690 20.926 ( -2.751 0.000 1.381) 3.078 21.000 ( -1.750 0.000 -1.520) 2.318 21.512 ( 11.083 0.000 -2.263) 11.312 21.836 ( 4.700 0.000 0.383) 4.715 22.764 ( -3.833 0.000 -2.819) 4.758 23.020 ( -7.401 0.000 1.790) 7.615 26.758 ( 16.228 0.000 0.880) 16.252 27.723 ( 18.138 0.000 -26.936) 32.473 28.697 ( -25.015 0.000 3.179) 25.216 29.006 ( -21.643 0.000 1.465) 21.693 30.899 ( 9.281 0.000 7.246) 11.775 30.962 ( 8.954 0.000 3.791) 9.724 31.291 ( 8.577 0.000 -0.667) 8.603 31.387 ( 4.888 0.000 1.565) 5.132 31.491 ( 3.898 0.000 1.290) 4.106 31.973 ( -8.736 0.000 1.684) 8.896 32.150 ( -7.139 0.000 -3.364) 7.892 32.342 ( -12.420 0.000 3.805) 12.990 33.125 ( 11.204 0.000 2.520) 11.484 33.242 ( 10.718 0.000 1.348) 10.803 33.798 ( -6.621 0.000 0.682) 6.656 34.017 ( -7.767 0.000 -2.223) 8.079 35.245 ( 2.684 0.000 -1.466) 3.059 35.484 ( 0.439 0.000 2.591) 2.628 35.806 ( 2.001 0.000 -2.336) 3.075 35.957 ( 5.386 0.000 -3.429) 6.385 36.169 ( -3.335 0.000 -2.213) 4.002 36.377 ( 3.037 0.000 5.797) 6.544 37.745 ( 0.417 0.000 9.858) 9.867 38.366 ( -11.556 0.000 -4.270) 12.320 ======================= Grid point 52 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 16.607 0.000 1.207) 16.651 1.713 ( -1.798 0.000 3.908) 4.302 1.836 ( -3.047 0.000 -0.860) 3.166 1.930 ( -8.137 0.000 3.476) 8.848 2.054 ( 5.450 0.000 6.902) 8.795 2.288 ( 4.521 0.000 4.197) 6.169 2.450 ( -1.193 0.000 12.175) 12.234 2.553 ( -1.464 0.000 1.245) 1.922 2.788 ( 11.531 0.000 2.193) 11.738 2.836 ( -8.282 0.000 -6.762) 10.692 2.931 ( 2.436 0.000 -0.138) 2.440 3.079 ( 8.099 0.000 -4.879) 9.455 3.137 ( 7.510 0.000 6.661) 10.039 3.377 ( -7.824 0.000 -9.224) 12.095 3.778 ( 2.805 0.000 4.286) 5.123 3.894 ( 11.216 0.000 5.884) 12.665 3.954 ( -5.925 0.000 -1.109) 6.028 4.100 ( -2.055 0.000 -5.083) 5.482 4.195 ( 0.051 0.000 1.710) 1.711 4.344 ( -4.981 0.000 3.025) 5.828 4.488 ( 8.474 0.000 -5.403) 10.050 4.643 ( -2.771 0.000 -3.672) 4.600 4.755 ( -6.204 0.000 1.369) 6.354 4.849 ( -0.368 0.000 4.212) 4.228 4.988 ( 2.389 0.000 -5.326) 5.837 5.037 ( 1.057 0.000 0.050) 1.059 5.250 ( -1.304 0.000 3.576) 3.806 5.293 ( -3.086 0.000 5.459) 6.271 5.440 ( 1.473 0.000 0.306) 1.505 5.547 ( -6.341 0.000 3.594) 7.289 5.865 ( 2.479 0.000 -2.763) 3.712 6.014 ( -2.705 0.000 -4.177) 4.976 6.087 ( -4.879 0.000 1.249) 5.037 6.216 ( -0.110 0.000 -3.844) 3.845 6.966 ( 3.040 0.000 -4.285) 5.254 6.979 ( 0.823 0.000 0.533) 0.981 7.141 ( -3.750 0.000 -0.622) 3.801 7.425 ( 1.808 0.000 -2.015) 2.708 7.493 ( -1.941 0.000 2.009) 2.793 7.691 ( 0.121 0.000 1.219) 1.224 8.316 ( 2.966 0.000 1.220) 3.207 8.651 ( 5.489 0.000 -2.633) 6.088 8.927 ( -3.562 0.000 4.268) 5.559 9.186 ( -3.149 0.000 -0.234) 3.158 9.369 ( 2.202 0.000 -1.537) 2.685 9.576 ( 1.408 0.000 1.472) 2.037 9.743 ( -2.598 0.000 2.086) 3.331 9.839 ( -2.704 0.000 -4.573) 5.313 10.177 ( 10.390 0.000 1.516) 10.500 10.315 ( 2.001 0.000 -2.896) 3.520 10.443 ( 0.078 0.000 -3.377) 3.378 10.758 ( -6.299 0.000 4.707) 7.864 10.931 ( -8.839 0.000 -0.844) 8.879 11.031 ( -1.490 0.000 1.911) 2.423 11.515 ( 1.623 0.000 -1.022) 1.918 11.646 ( -2.029 0.000 -0.084) 2.031 12.654 ( 3.577 0.000 -1.492) 3.875 12.732 ( 3.041 0.000 0.417) 3.069 12.952 ( 0.427 0.000 -0.788) 0.896 13.204 ( 0.472 0.000 -1.620) 1.687 13.758 ( 5.190 0.000 1.508) 5.405 13.862 ( 0.428 0.000 0.748) 0.862 13.883 ( -3.357 0.000 0.605) 3.411 14.007 ( -3.256 0.000 0.224) 3.264 14.304 ( -1.537 0.000 -2.980) 3.353 14.529 ( 5.156 0.000 -8.187) 9.675 15.006 ( -8.146 0.000 -7.051) 10.774 15.167 ( 0.654 0.000 2.077) 2.177 15.578 ( 0.169 0.000 -0.544) 0.570 15.662 ( 7.897 0.000 -0.345) 7.905 15.694 ( -1.387 0.000 1.737) 2.223 15.960 ( -1.809 0.000 5.045) 5.359 16.327 ( 2.341 0.000 -3.370) 4.103 16.473 ( 4.156 0.000 -0.359) 4.171 16.896 ( -3.381 0.000 2.493) 4.201 17.011 ( -2.787 0.000 -0.353) 2.809 19.312 ( 2.927 0.000 0.798) 3.033 19.464 ( -1.202 0.000 -0.432) 1.277 20.882 ( -1.683 0.000 0.890) 1.903 20.976 ( -0.457 0.000 -0.935) 1.041 21.716 ( 8.515 0.000 -2.485) 8.870 21.888 ( -0.199 0.000 0.733) 0.760 22.719 ( 0.286 0.000 -0.981) 1.022 22.880 ( -6.068 0.000 1.241) 6.193 27.065 ( 11.890 0.000 2.048) 12.065 27.901 ( 0.960 0.000 -13.505) 13.539 28.293 ( -13.953 0.000 1.511) 14.034 28.725 ( -4.623 0.000 -6.959) 8.355 31.050 ( 4.875 0.000 2.125) 5.318 31.100 ( 3.739 0.000 3.264) 4.963 31.413 ( 1.400 0.000 2.612) 2.964 31.466 ( 5.691 0.000 -0.089) 5.691 31.629 ( 7.116 0.000 1.845) 7.351 31.825 ( -4.686 0.000 2.936) 5.530 32.000 ( -7.426 0.000 0.737) 7.462 32.127 ( -8.098 0.000 5.070) 9.554 33.321 ( 7.465 0.000 1.779) 7.674 33.436 ( 7.140 0.000 -1.174) 7.236 33.672 ( -4.865 0.000 0.929) 4.953 33.856 ( -7.069 0.000 -1.405) 7.207 35.300 ( 2.746 0.000 -2.511) 3.721 35.478 ( -1.383 0.000 3.123) 3.416 35.833 ( 0.848 0.000 -0.287) 0.896 36.049 ( 3.505 0.000 -6.940) 7.774 36.113 ( -1.145 0.000 0.615) 1.300 36.446 ( 3.447 0.000 6.884) 7.699 37.788 ( 0.845 0.000 3.133) 3.245 38.157 ( -6.910 0.000 -3.287) 7.652 ======================= Grid point 53 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 1.720 0.000 1.526) 2.300 1.630 ( -9.771 0.000 7.014) 12.028 1.753 ( -1.667 0.000 -8.153) 8.321 1.812 ( 2.439 0.000 6.867) 7.287 1.973 ( -7.446 0.000 -0.576) 7.469 2.316 ( -13.358 0.000 4.486) 14.091 2.445 ( -5.554 0.000 12.892) 14.038 2.555 ( 10.137 0.000 0.845) 10.172 2.626 ( -8.138 0.000 4.258) 9.185 2.826 ( 0.433 0.000 -2.448) 2.486 3.017 ( 5.675 0.000 -4.618) 7.317 3.181 ( -1.048 0.000 -8.383) 8.448 3.250 ( 0.619 0.000 12.250) 12.266 3.522 ( 15.585 0.000 -4.007) 16.092 3.666 ( -14.352 0.000 5.463) 15.357 3.903 ( -1.802 0.000 1.279) 2.210 3.987 ( -0.052 0.000 5.150) 5.151 4.071 ( -1.429 0.000 -7.212) 7.352 4.156 ( -0.637 0.000 0.110) 0.647 4.363 ( 8.398 0.000 2.382) 8.729 4.566 ( -4.095 0.000 -2.284) 4.689 4.641 ( -1.579 0.000 -2.116) 2.640 4.703 ( 6.866 0.000 -2.279) 7.235 4.878 ( 3.653 0.000 1.429) 3.923 4.975 ( -2.727 0.000 -2.025) 3.397 5.048 ( 0.007 0.000 -2.711) 2.711 5.168 ( -5.898 0.000 3.090) 6.659 5.290 ( 1.377 0.000 5.807) 5.968 5.490 ( -0.079 0.000 -0.454) 0.461 5.497 ( 4.333 0.000 3.943) 5.859 5.860 ( -2.057 0.000 -2.338) 3.114 5.964 ( -1.193 0.000 -2.883) 3.120 6.092 ( 4.057 0.000 -1.339) 4.272 6.229 ( 1.028 0.000 -2.888) 3.065 6.904 ( -4.627 0.000 -1.505) 4.866 6.978 ( -2.179 0.000 -1.423) 2.602 7.211 ( 7.964 0.000 -4.284) 9.044 7.486 ( 2.191 0.000 3.274) 3.940 7.501 ( 5.377 0.000 1.347) 5.543 7.651 ( -4.501 0.000 0.219) 4.507 8.332 ( -2.296 0.000 1.517) 2.752 8.714 ( -0.178 0.000 -1.342) 1.353 8.873 ( -0.945 0.000 2.920) 3.069 9.108 ( -4.013 0.000 -2.542) 4.750 9.421 ( 2.801 0.000 0.875) 2.934 9.590 ( -0.399 0.000 0.120) 0.417 9.658 ( -3.009 0.000 -0.783) 3.110 9.886 ( 5.983 0.000 -1.111) 6.085 10.232 ( -5.559 0.000 2.718) 6.188 10.447 ( 7.692 0.000 -4.874) 9.106 10.477 ( 2.371 0.000 2.949) 3.784 10.628 ( -3.855 0.000 1.109) 4.012 10.812 ( -0.541 0.000 -2.510) 2.567 11.088 ( 5.875 0.000 2.163) 6.260 11.530 ( -0.202 0.000 -0.556) 0.592 11.621 ( -0.269 0.000 -0.968) 1.005 12.665 ( -2.121 0.000 -1.082) 2.381 12.738 ( -2.883 0.000 0.480) 2.923 12.952 ( -0.216 0.000 -0.820) 0.848 13.201 ( -0.758 0.000 -1.645) 1.811 13.746 ( -7.386 0.000 0.677) 7.417 13.845 ( 0.074 0.000 0.002) 0.074 13.866 ( 4.374 0.000 0.491) 4.402 14.076 ( 5.712 0.000 2.857) 6.387 14.323 ( 3.464 0.000 -1.999) 4.000 14.555 ( -2.183 0.000 -8.860) 9.125 14.873 ( -3.231 0.000 -4.950) 5.911 15.237 ( 4.855 0.000 -1.143) 4.988 15.587 ( 1.018 0.000 -0.537) 1.151 15.653 ( -2.553 0.000 -0.341) 2.576 15.799 ( 2.142 0.000 0.948) 2.342 15.898 ( -0.214 0.000 6.629) 6.632 16.322 ( -4.052 0.000 -3.284) 5.216 16.472 ( -4.158 0.000 0.071) 4.159 16.879 ( 2.059 0.000 1.247) 2.407 17.000 ( 1.633 0.000 -0.336) 1.667 19.329 ( -1.621 0.000 1.562) 2.251 19.442 ( -0.568 0.000 -1.223) 1.349 20.864 ( -0.145 0.000 0.236) 0.277 20.987 ( 1.542 0.000 -0.397) 1.593 21.744 ( -7.222 0.000 -2.046) 7.507 21.877 ( 0.748 0.000 0.791) 1.089 22.774 ( 2.376 0.000 0.368) 2.404 22.830 ( 3.803 0.000 -0.209) 3.809 27.080 ( -10.703 0.000 2.831) 11.071 27.783 ( -12.087 0.000 -15.976) 20.033 28.266 ( 13.204 0.000 1.430) 13.281 28.829 ( 13.408 0.000 -5.805) 14.610 31.051 ( -6.387 0.000 1.782) 6.631 31.100 ( -2.393 0.000 3.548) 4.279 31.429 ( 0.189 0.000 3.546) 3.551 31.517 ( -1.466 0.000 -1.640) 2.200 31.635 ( -7.244 0.000 5.264) 8.955 31.797 ( 1.086 0.000 0.873) 1.394 31.956 ( 4.874 0.000 0.389) 4.889 32.115 ( 6.516 0.000 5.029) 8.231 33.314 ( -8.016 0.000 0.943) 8.071 33.451 ( -6.907 0.000 -0.195) 6.910 33.658 ( 4.529 0.000 0.523) 4.559 33.856 ( 7.167 0.000 -1.426) 7.308 35.343 ( 1.525 0.000 -2.485) 2.916 35.430 ( -3.359 0.000 2.534) 4.208 35.841 ( -0.003 0.000 0.034) 0.034 36.069 ( 0.857 0.000 -8.058) 8.103 36.159 ( 3.914 0.000 4.096) 5.665 36.515 ( 3.031 0.000 8.067) 8.617 37.690 ( -8.956 0.000 -0.240) 8.960 38.184 ( 8.045 0.000 -1.845) 8.254 ======================= Grid point 54 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -23.081 0.000 5.179) 23.655 1.440 ( -18.935 0.000 14.284) 23.719 1.753 ( -2.040 0.000 -5.616) 5.975 1.766 ( 4.155 0.000 -4.286) 5.969 1.990 ( 5.167 0.000 -4.095) 6.593 2.098 ( -15.078 0.000 13.430) 20.192 2.359 ( 0.638 0.000 7.201) 7.229 2.485 ( -6.058 0.000 6.709) 9.039 2.588 ( -5.305 0.000 1.028) 5.403 2.941 ( 3.307 0.000 5.532) 6.445 3.036 ( -4.612 0.000 2.495) 5.243 3.147 ( -1.767 0.000 7.482) 7.688 3.239 ( 6.950 0.000 -2.152) 7.275 3.478 ( -3.119 0.000 1.018) 3.281 3.740 ( 5.042 0.000 -1.311) 5.209 3.820 ( -2.876 0.000 -2.364) 3.723 3.899 ( -8.427 0.000 3.271) 9.040 4.078 ( 3.060 0.000 -4.109) 5.123 4.247 ( 4.827 0.000 -1.330) 5.007 4.413 ( -2.734 0.000 -1.281) 3.019 4.527 ( -3.628 0.000 -3.237) 4.862 4.640 ( 5.387 0.000 -2.257) 5.840 4.761 ( -2.108 0.000 -6.259) 6.604 4.915 ( 0.940 0.000 -2.162) 2.357 5.000 ( 2.063 0.000 -0.737) 2.191 5.053 ( 2.288 0.000 -6.361) 6.760 5.092 ( -0.751 0.000 3.409) 3.491 5.304 ( 0.167 0.000 6.748) 6.750 5.485 ( -0.730 0.000 2.336) 2.448 5.642 ( 9.770 0.000 1.164) 9.839 5.909 ( 6.108 0.000 1.622) 6.320 5.960 ( 2.478 0.000 -4.337) 4.995 6.165 ( 2.796 0.000 0.645) 2.870 6.238 ( 0.076 0.000 1.213) 1.216 6.794 ( -5.542 0.000 -2.031) 5.902 6.963 ( -0.544 0.000 -1.623) 1.711 7.315 ( 2.116 0.000 1.587) 2.644 7.507 ( -8.571 0.000 0.117) 8.572 7.612 ( 10.464 0.000 -0.218) 10.466 7.655 ( 8.550 0.000 2.119) 8.809 8.227 ( -7.832 0.000 0.061) 7.832 8.618 ( -8.011 0.000 -1.053) 8.080 8.909 ( 2.862 0.000 4.538) 5.364 9.066 ( 0.683 0.000 -3.946) 4.005 9.460 ( 1.267 0.000 1.390) 1.881 9.599 ( 1.942 0.000 -0.497) 2.004 9.654 ( 1.935 0.000 -0.899) 2.134 10.005 ( 4.239 0.000 -1.410) 4.467 10.076 ( -9.367 0.000 4.103) 10.227 10.347 ( -7.757 0.000 -0.830) 7.801 10.582 ( 2.414 0.000 -2.148) 3.231 10.617 ( 0.540 0.000 -0.585) 0.796 10.996 ( 16.606 0.000 -0.888) 16.630 11.237 ( 8.344 0.000 0.818) 8.384 11.521 ( 0.213 0.000 0.390) 0.445 11.634 ( 1.507 0.000 -1.259) 1.964 12.572 ( -8.174 0.000 1.005) 8.236 12.611 ( -8.520 0.000 -0.622) 8.543 12.966 ( 1.798 0.000 -0.802) 1.969 13.170 ( -2.476 0.000 -2.657) 3.632 13.605 ( -6.176 0.000 0.187) 6.179 13.875 ( 2.537 0.000 0.663) 2.622 13.965 ( 5.083 0.000 0.872) 5.157 14.139 ( -0.408 0.000 0.512) 0.655 14.387 ( 0.122 0.000 -6.721) 6.722 14.476 ( -1.827 0.000 -8.125) 8.328 14.905 ( 5.450 0.000 -2.191) 5.874 15.298 ( 1.159 0.000 -3.218) 3.421 15.577 ( -3.994 0.000 -0.479) 4.022 15.633 ( 0.413 0.000 1.018) 1.098 15.744 ( -0.575 0.000 1.362) 1.479 15.991 ( 2.480 0.000 6.337) 6.805 16.192 ( -5.785 0.000 -1.955) 6.106 16.334 ( -8.913 0.000 -2.283) 9.201 16.956 ( 4.554 0.000 1.036) 4.670 17.053 ( 3.273 0.000 -0.398) 3.297 19.264 ( -4.399 0.000 2.157) 4.900 19.432 ( -0.775 0.000 -1.950) 2.099 20.882 ( 2.080 0.000 0.056) 2.081 21.029 ( 2.532 0.000 0.040) 2.532 21.543 ( -11.280 0.000 -1.423) 11.369 21.849 ( -3.868 0.000 0.625) 3.918 22.808 ( 2.650 0.000 -2.556) 3.681 22.989 ( 9.363 0.000 0.799) 9.397 26.787 ( -16.175 0.000 2.323) 16.341 27.435 ( -22.074 0.000 -27.176) 35.011 28.687 ( 25.819 0.000 2.175) 25.911 29.180 ( 21.630 0.000 -0.210) 21.631 30.848 ( -12.917 0.000 4.439) 13.658 31.010 ( -6.656 0.000 5.735) 8.786 31.395 ( -8.244 0.000 1.461) 8.372 31.414 ( -2.327 0.000 2.811) 3.650 31.512 ( -4.246 0.000 3.276) 5.363 31.847 ( 2.509 0.000 -4.025) 4.743 32.126 ( 10.940 0.000 0.786) 10.968 32.295 ( 9.918 0.000 2.585) 10.249 33.104 ( -12.318 0.000 1.406) 12.398 33.246 ( -11.573 0.000 1.629) 11.687 33.787 ( 6.740 0.000 0.450) 6.755 34.019 ( 8.020 0.000 -2.260) 8.332 35.326 ( -3.726 0.000 1.873) 4.170 35.391 ( 0.259 0.000 -2.174) 2.190 35.836 ( -0.296 0.000 -0.604) 0.673 36.098 ( 2.176 0.000 -5.571) 5.981 36.240 ( 3.924 0.000 3.855) 5.501 36.560 ( 0.329 0.000 5.350) 5.360 37.554 ( -2.404 0.000 7.732) 8.098 38.374 ( 10.033 0.000 -3.270) 10.552 ======================= Grid point 55 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -16.456 0.000 22.807) 28.124 0.965 ( -25.157 0.000 18.806) 31.409 1.540 ( -30.575 0.000 30.168) 42.952 1.808 ( 0.203 0.000 -2.042) 2.052 1.912 ( 5.877 0.000 3.891) 7.048 2.100 ( 4.218 0.000 -2.405) 4.856 2.387 ( -1.671 0.000 -5.080) 5.347 2.467 ( 5.242 0.000 0.748) 5.295 2.554 ( 7.353 0.000 4.186) 8.461 2.829 ( -12.567 0.000 7.591) 14.682 2.977 ( -1.564 0.000 -2.650) 3.078 3.157 ( -4.272 0.000 1.472) 4.519 3.282 ( -2.246 0.000 2.190) 3.137 3.516 ( 0.127 0.000 1.488) 1.493 3.716 ( -1.120 0.000 -3.354) 3.536 3.762 ( 3.060 0.000 2.008) 3.660 3.925 ( 6.835 0.000 -2.126) 7.158 4.155 ( 2.840 0.000 -2.119) 3.543 4.244 ( -1.025 0.000 2.293) 2.512 4.399 ( -0.827 0.000 -3.860) 3.947 4.460 ( -2.911 0.000 -7.667) 8.201 4.672 ( -4.923 0.000 -7.864) 9.277 4.720 ( 2.465 0.000 1.122) 2.708 4.886 ( -4.346 0.000 -1.757) 4.688 5.019 ( 0.519 0.000 -1.349) 1.446 5.082 ( 2.896 0.000 -5.592) 6.298 5.136 ( 0.422 0.000 -5.446) 5.463 5.351 ( 4.623 0.000 14.417) 15.140 5.460 ( -1.262 0.000 1.177) 1.725 5.874 ( 12.950 0.000 0.858) 12.978 5.972 ( 2.735 0.000 -1.258) 3.011 6.060 ( -0.125 0.000 0.939) 0.947 6.210 ( 5.519 0.000 -0.327) 5.529 6.330 ( 10.365 0.000 5.180) 11.587 6.707 ( -2.399 0.000 -1.408) 2.781 6.927 ( -3.446 0.000 -0.417) 3.471 7.305 ( -4.105 0.000 2.917) 5.036 7.352 ( -4.274 0.000 1.172) 4.432 7.784 ( 3.914 0.000 4.747) 6.152 7.875 ( 13.838 0.000 -0.584) 13.850 8.063 ( -6.907 0.000 -4.801) 8.412 8.442 ( -9.370 0.000 -1.138) 9.439 8.984 ( 5.533 0.000 3.590) 6.595 9.117 ( 3.642 0.000 0.075) 3.643 9.494 ( 2.142 0.000 -0.280) 2.160 9.634 ( 1.272 0.000 2.104) 2.459 9.713 ( 1.705 0.000 -3.237) 3.659 9.845 ( -9.768 0.000 4.125) 10.604 10.070 ( 0.236 0.000 -4.690) 4.696 10.239 ( -2.392 0.000 -0.808) 2.525 10.555 ( -2.526 0.000 3.065) 3.972 10.668 ( 2.511 0.000 -4.217) 4.908 11.330 ( 13.381 0.000 -1.382) 13.452 11.373 ( 7.110 0.000 0.387) 7.120 11.576 ( 4.851 0.000 1.711) 5.144 11.669 ( 2.085 0.000 0.326) 2.111 12.332 ( -13.894 0.000 1.743) 14.003 12.470 ( -6.618 0.000 -2.196) 6.973 13.005 ( 1.315 0.000 -1.725) 2.169 13.096 ( -4.213 0.000 -2.456) 4.876 13.517 ( -2.790 0.000 -0.420) 2.822 13.917 ( 0.818 0.000 2.675) 2.798 14.011 ( -15.942 0.000 -15.211) 22.034 14.062 ( 4.539 0.000 0.536) 4.571 14.276 ( -7.516 0.000 -6.775) 10.119 14.502 ( 2.043 0.000 -2.503) 3.230 15.037 ( 8.123 0.000 0.569) 8.143 15.330 ( 2.842 0.000 -1.264) 3.111 15.446 ( -7.298 0.000 0.327) 7.305 15.603 ( -3.868 0.000 0.197) 3.873 15.830 ( 3.036 0.000 -0.201) 3.043 15.899 ( -2.881 0.000 -0.296) 2.896 16.073 ( -11.550 0.000 -4.109) 12.259 16.278 ( 4.738 0.000 4.674) 6.655 17.023 ( 1.736 0.000 0.780) 1.903 17.113 ( 2.365 0.000 -0.811) 2.500 19.178 ( -4.050 0.000 1.839) 4.448 19.411 ( -0.884 0.000 -2.077) 2.257 20.940 ( 3.283 0.000 0.659) 3.349 21.080 ( 2.509 0.000 0.185) 2.516 21.340 ( -8.614 0.000 -0.502) 8.629 21.740 ( -6.639 0.000 -1.751) 6.866 22.873 ( 3.845 0.000 -1.282) 4.053 23.142 ( 5.006 0.000 -1.008) 5.107 26.516 ( -10.536 0.000 1.127) 10.596 26.852 ( -35.358 0.000 -27.760) 44.954 29.199 ( 24.605 0.000 1.847) 24.674 29.625 ( 19.495 0.000 0.164) 19.495 30.623 ( -6.865 0.000 6.222) 9.265 30.885 ( -4.355 0.000 9.211) 10.188 31.282 ( -2.989 0.000 1.308) 3.262 31.364 ( -0.027 0.000 5.890) 5.890 31.466 ( -1.136 0.000 0.548) 1.262 31.786 ( -11.545 0.000 -12.419) 16.957 32.362 ( 12.428 0.000 3.181) 12.829 32.492 ( 10.502 0.000 -0.118) 10.503 32.849 ( -13.405 0.000 1.927) 13.543 33.051 ( -7.439 0.000 4.144) 8.515 33.896 ( 4.002 0.000 0.343) 4.016 34.144 ( 4.549 0.000 -2.634) 5.257 35.250 ( -3.427 0.000 1.905) 3.921 35.404 ( 0.866 0.000 -2.268) 2.428 35.832 ( 0.028 0.000 -0.707) 0.708 36.140 ( 2.234 0.000 -3.446) 4.107 36.299 ( 0.903 0.000 0.556) 1.060 36.471 ( -10.899 0.000 -5.465) 12.193 37.716 ( 19.732 0.000 21.217) 28.974 38.538 ( 6.227 0.000 -3.904) 7.349 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 3.031 13.966 23.738) 27.708 0.993 ( 1.862 16.982 26.879) 31.848 1.355 ( -4.097 23.871 26.511) 35.909 1.803 ( 0.364 -0.764 -1.901) 2.080 2.039 ( -0.952 0.148 1.896) 2.127 2.181 ( -2.570 -0.111 1.157) 2.820 2.274 ( -0.427 3.695 5.934) 7.003 2.571 ( -2.488 -0.143 -1.129) 2.736 2.667 ( -3.746 2.607 -0.594) 4.602 2.792 ( 7.173 -1.653 -3.440) 8.125 2.966 ( -6.028 -3.355 2.262) 7.260 3.064 ( 8.837 6.287 -1.394) 10.935 3.266 ( -0.432 -2.670 -0.956) 2.869 3.341 ( -4.333 0.672 1.435) 4.614 3.816 ( -5.032 2.419 -2.226) 6.010 3.896 ( 6.887 -0.609 1.504) 7.076 4.001 ( 3.235 0.495 -2.933) 4.395 4.094 ( -1.688 -1.864 -1.056) 2.727 4.316 ( -2.787 4.551 -3.348) 6.300 4.387 ( -1.264 4.690 -3.430) 5.946 4.525 ( 1.930 3.444 -3.987) 5.611 4.587 ( -0.906 1.158 -0.961) 1.756 4.788 ( -1.314 0.746 -0.561) 1.612 4.899 ( 0.315 5.259 -3.753) 6.469 4.937 ( 0.997 1.834 0.333) 2.114 5.109 ( -1.604 3.984 1.995) 4.736 5.237 ( 5.710 0.314 -6.527) 8.678 5.397 ( -0.743 0.799 -0.550) 1.222 5.584 ( 3.214 4.237 3.639) 6.444 5.938 ( -4.593 -1.463 2.427) 5.397 6.033 ( -0.705 0.295 -2.570) 2.681 6.104 ( -0.225 3.418 2.030) 3.982 6.236 ( -5.698 -2.882 0.896) 6.448 6.411 ( 7.298 -9.453 5.522) 13.157 6.716 ( 1.335 1.382 -0.932) 2.136 6.854 ( -3.261 2.855 2.738) 5.126 7.278 ( -0.225 3.669 -1.296) 3.898 7.425 ( -0.946 4.802 -4.273) 6.498 7.751 ( -5.945 0.286 1.445) 6.124 7.994 ( -0.068 -1.956 -2.856) 3.462 8.117 ( 10.070 -2.248 -0.016) 10.318 8.263 ( -4.555 -1.101 -1.855) 5.040 8.991 ( 1.143 -6.088 2.387) 6.639 9.205 ( 2.929 0.243 2.275) 3.717 9.494 ( -2.448 -3.859 -2.707) 5.312 9.534 ( -4.089 -1.332 -1.629) 4.599 9.650 ( 1.321 -1.873 -0.589) 2.367 9.786 ( -1.827 -3.699 1.514) 4.394 10.027 ( 1.632 -3.541 -2.682) 4.732 10.221 ( 0.449 -1.711 -0.507) 1.840 10.498 ( -2.498 0.027 0.593) 2.568 10.682 ( 3.470 -4.490 -0.739) 5.722 11.393 ( 0.361 -1.915 0.220) 1.961 11.519 ( 1.589 -3.475 -0.349) 3.837 11.601 ( -1.541 -0.254 0.065) 1.563 11.713 ( 2.490 -1.983 3.281) 4.571 12.156 ( -1.584 1.593 1.037) 2.474 12.290 ( -2.446 -0.766 0.081) 2.564 13.013 ( 1.261 0.068 -1.608) 2.044 13.073 ( 1.371 -0.752 -0.277) 1.589 13.503 ( 1.351 1.246 -1.213) 2.202 13.562 ( -2.159 0.483 -0.826) 2.362 13.959 ( -1.998 2.358 -1.633) 3.496 14.130 ( 2.346 -1.946 0.627) 3.112 14.318 ( -1.098 6.810 -5.798) 9.011 14.517 ( -2.184 0.371 -3.738) 4.345 15.212 ( 6.525 -0.630 1.911) 6.828 15.325 ( 1.033 1.448 0.686) 1.906 15.405 ( -2.011 -1.439 1.038) 2.682 15.505 ( -0.988 0.819 -1.594) 2.046 15.781 ( -3.015 -3.610 2.394) 5.278 15.860 ( -2.940 1.099 -0.949) 3.279 15.935 ( -0.341 -4.306 2.764) 5.128 16.154 ( 4.377 -6.605 7.787) 11.109 17.067 ( 0.993 1.555 0.544) 1.923 17.139 ( 0.468 0.233 0.155) 0.545 19.161 ( 0.179 2.497 0.915) 2.666 19.411 ( 2.043 -1.478 -0.737) 2.627 20.987 ( -0.726 1.218 -0.087) 1.420 21.106 ( -0.503 -0.591 -0.601) 0.982 21.335 ( -1.639 6.041 -2.943) 6.916 21.636 ( 0.566 -1.688 -0.169) 1.789 22.998 ( -0.694 4.752 -3.032) 5.680 23.156 ( -0.601 -0.101 0.941) 1.121 26.401 ( 0.478 -0.058 -0.015) 0.482 26.423 ( 6.498 -0.847 0.412) 6.566 29.478 ( -1.202 -0.630 5.213) 5.387 29.813 ( -3.017 4.773 -8.556) 10.252 30.594 ( 4.695 -4.335 2.192) 6.756 30.707 ( -2.263 -14.652 11.849) 18.979 31.145 ( -2.779 -0.675 1.715) 3.335 31.297 ( -1.187 -1.879 0.093) 2.224 31.499 ( -4.562 2.454 -0.207) 5.184 31.707 ( 9.013 2.338 -4.702) 10.431 32.541 ( -5.418 0.502 0.811) 5.502 32.617 ( 2.360 -0.657 0.884) 2.605 32.689 ( 8.349 -1.513 3.017) 9.006 32.840 ( -4.533 -7.044 6.952) 10.885 33.957 ( 0.198 1.844 0.189) 1.864 34.193 ( 0.221 -0.641 -3.240) 3.311 35.255 ( -1.252 4.662 1.408) 5.029 35.481 ( 2.581 4.883 -2.366) 6.009 35.836 ( -5.217 -3.000 3.604) 7.014 35.935 ( -6.511 0.268 0.573) 6.541 36.206 ( 1.759 -2.779 3.082) 4.507 36.412 ( -0.860 2.463 -1.741) 3.136 38.095 ( -0.379 2.579 -2.116) 3.357 38.562 ( 1.031 -4.869 -3.792) 6.257 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 11.113 15.836 12.141) 22.840 1.142 ( 17.453 19.957 9.030) 28.008 1.557 ( 12.863 7.169 24.565) 28.640 1.800 ( 0.349 -1.816 3.604) 4.051 1.986 ( -0.556 2.335 7.181) 7.571 2.155 ( 3.262 2.428 2.385) 4.714 2.295 ( 2.624 1.805 3.459) 4.702 2.535 ( -1.492 4.286 -2.238) 5.060 2.615 ( -3.599 0.069 -1.467) 3.887 2.804 ( 2.066 -1.995 3.533) 4.553 2.934 ( -0.483 -1.187 -1.799) 2.209 3.199 ( -2.655 3.262 -0.798) 4.281 3.314 ( 2.263 1.626 4.165) 5.011 3.375 ( 8.315 -2.111 -1.076) 8.646 3.723 ( -0.304 -3.952 -1.157) 4.130 3.846 ( -7.242 0.308 -1.398) 7.382 3.995 ( -3.292 4.555 -1.617) 5.848 4.157 ( 4.851 3.389 -2.265) 6.336 4.247 ( -2.192 3.501 -3.005) 5.108 4.379 ( 0.488 7.477 -1.153) 7.581 4.487 ( -2.507 4.175 -1.242) 5.025 4.673 ( 0.275 0.382 -6.905) 6.921 4.732 ( 1.528 -1.940 -2.329) 3.394 4.885 ( -1.115 -0.005 2.128) 2.402 5.010 ( 4.087 2.207 1.911) 5.023 5.119 ( 1.525 6.096 -1.956) 6.582 5.300 ( 0.206 -0.600 -2.358) 2.442 5.367 ( -1.253 2.835 -0.534) 3.145 5.607 ( -11.525 -2.175 -1.687) 11.849 5.718 ( -5.456 -0.010 4.765) 7.244 5.942 ( -3.013 2.589 -2.578) 4.736 6.058 ( -4.205 2.871 0.434) 5.110 6.188 ( 1.147 1.501 3.501) 3.979 6.464 ( -3.450 -7.842 8.364) 11.973 6.744 ( 2.159 2.640 -4.051) 5.295 6.907 ( 5.763 1.073 3.672) 6.917 7.284 ( -2.342 3.435 -1.155) 4.315 7.366 ( 0.939 2.769 -1.341) 3.217 7.645 ( -3.991 1.967 -1.324) 4.643 7.900 ( -9.427 0.211 -0.380) 9.437 8.199 ( 1.618 -1.943 1.524) 2.953 8.324 ( 8.048 -1.944 -3.511) 8.993 9.004 ( 0.011 -3.839 3.787) 5.392 9.229 ( -1.199 -0.245 3.561) 3.765 9.375 ( -3.344 0.418 -4.684) 5.771 9.513 ( -0.898 -3.151 -0.073) 3.277 9.707 ( 3.930 -3.242 -3.289) 6.064 9.743 ( -1.955 -5.591 2.127) 6.293 10.092 ( 3.245 -4.328 -1.744) 5.684 10.210 ( -1.313 -0.992 0.194) 1.657 10.475 ( 0.615 1.935 -1.973) 2.832 10.746 ( 1.877 -5.899 -0.217) 6.194 11.333 ( -6.909 -1.650 -0.709) 7.138 11.376 ( -13.203 -2.278 0.804) 13.422 11.520 ( -3.830 0.942 -0.120) 3.946 11.735 ( -1.015 -1.363 1.919) 2.564 12.296 ( 12.107 0.821 0.432) 12.142 12.409 ( 11.067 -1.065 -0.838) 11.149 13.001 ( -2.164 0.011 -1.360) 2.556 13.111 ( 2.544 -2.759 -1.015) 3.887 13.553 ( 3.829 1.653 1.064) 4.304 13.736 ( 9.554 -3.029 -4.486) 10.981 13.941 ( 2.234 -0.857 -2.946) 3.795 14.131 ( -1.495 -2.606 -0.777) 3.104 14.328 ( -0.154 2.668 -5.820) 6.404 14.445 ( -3.554 0.118 -4.389) 5.649 15.252 ( -2.003 -0.159 -0.449) 2.059 15.288 ( -3.591 0.539 -4.166) 5.527 15.405 ( 3.327 1.034 2.659) 4.383 15.600 ( 1.122 0.107 1.203) 1.648 15.763 ( 5.549 -4.016 2.681) 7.356 15.799 ( -4.741 -2.068 0.871) 5.245 16.019 ( 10.280 -1.943 0.311) 10.467 16.249 ( 4.002 -3.491 2.858) 6.031 17.056 ( -2.325 1.361 1.675) 3.173 17.137 ( -1.145 -0.088 -0.002) 1.148 19.194 ( 2.774 2.639 1.164) 4.002 19.452 ( 1.630 -1.261 -0.508) 2.123 20.958 ( -1.720 -0.224 0.696) 1.869 21.049 ( -3.807 -0.437 -1.443) 4.094 21.381 ( 6.463 4.963 -1.889) 8.365 21.720 ( 5.882 -1.629 -0.861) 6.164 22.905 ( -5.962 4.622 -2.220) 7.864 23.129 ( -3.558 -0.427 1.182) 3.773 26.499 ( 10.111 0.485 0.173) 10.124 26.952 ( 34.973 -16.071 -15.067) 41.332 29.207 ( -22.143 1.625 2.988) 22.403 29.503 ( -25.166 0.452 -0.684) 25.180 30.703 ( 8.807 -2.660 6.656) 11.355 30.789 ( 7.376 -2.081 6.519) 10.062 31.167 ( 4.801 1.730 0.106) 5.104 31.314 ( 3.445 1.445 0.494) 3.768 31.458 ( 0.014 0.824 0.077) 0.828 31.930 ( 7.978 -8.022 -5.994) 12.804 32.315 ( -11.686 0.560 0.091) 11.700 32.504 ( -11.834 -4.612 4.016) 13.321 32.891 ( 11.729 -0.337 3.244) 12.174 32.987 ( 11.876 -4.191 3.205) 12.995 33.920 ( -3.941 1.666 0.281) 4.288 34.143 ( -4.903 -0.597 -2.819) 5.688 35.252 ( 0.952 4.407 0.171) 4.512 35.521 ( 0.762 5.131 0.438) 5.206 35.744 ( 0.166 -2.637 0.459) 2.682 35.924 ( 2.068 3.713 -0.317) 4.262 36.258 ( 3.057 -1.303 2.870) 4.391 36.391 ( -1.709 5.837 -1.729) 6.323 37.898 ( -12.545 5.667 6.119) 15.064 38.501 ( -7.007 -5.476 -4.225) 9.846 ======================= Grid point 58 (26/88) ======================= q-point: ( 0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 8.737 14.800 3.842) 17.610 1.592 ( 15.469 2.024 3.465) 15.981 1.725 ( 5.434 -1.695 9.353) 10.949 1.812 ( 6.771 2.345 -1.201) 7.265 2.057 ( 4.131 3.462 10.743) 12.020 2.339 ( 5.727 -5.310 5.249) 9.410 2.388 ( 1.138 -2.853 3.573) 4.712 2.499 ( 6.157 8.084 2.250) 10.407 2.607 ( 4.671 5.504 1.173) 7.314 2.774 ( -1.357 0.364 0.676) 1.559 3.002 ( 6.784 4.295 -0.244) 8.032 3.114 ( -8.635 2.906 -2.579) 9.469 3.284 ( -3.104 6.187 7.555) 10.247 3.526 ( 6.137 -1.305 -0.488) 6.293 3.644 ( -4.659 -0.084 0.544) 4.691 3.813 ( 1.476 1.947 -2.761) 3.687 3.963 ( 0.505 -0.364 -1.726) 1.834 4.206 ( -2.117 2.746 0.863) 3.573 4.247 ( 1.127 3.836 -2.926) 4.954 4.341 ( -1.422 4.685 -1.970) 5.278 4.490 ( 2.591 4.262 -2.320) 5.500 4.642 ( -0.243 -1.587 -5.203) 5.445 4.793 ( 1.499 -2.298 -1.937) 3.359 4.886 ( 2.103 -0.777 0.611) 2.324 4.974 ( -9.976 4.052 1.401) 10.858 5.126 ( -1.107 1.556 -0.884) 2.104 5.245 ( -0.410 2.099 -2.443) 3.247 5.354 ( -2.974 -3.422 1.671) 4.832 5.409 ( -0.876 1.625 4.028) 4.431 5.703 ( -3.718 1.146 4.222) 5.741 5.891 ( -1.959 4.564 -3.182) 5.898 6.010 ( -0.252 -1.210 -4.127) 4.309 6.198 ( -1.200 2.287 1.513) 2.994 6.320 ( -8.428 -1.149 5.600) 10.184 6.829 ( 6.580 1.400 -6.325) 9.234 6.994 ( 1.509 -0.303 3.408) 3.739 7.232 ( -1.535 1.535 1.985) 2.942 7.396 ( -0.478 -2.095 -4.398) 4.895 7.578 ( -4.755 3.361 -0.703) 5.866 7.739 ( -3.434 2.767 1.120) 4.550 8.246 ( 2.971 -0.900 1.377) 3.396 8.480 ( 7.606 -3.681 -3.195) 9.034 8.980 ( -2.677 -1.284 5.361) 6.128 9.186 ( -1.876 -2.260 -0.275) 2.951 9.371 ( 1.003 1.707 -1.943) 2.774 9.501 ( 0.221 -4.957 0.382) 4.977 9.709 ( -0.832 -5.378 1.391) 5.617 9.801 ( 3.832 -4.262 -3.751) 6.850 10.082 ( -1.896 -1.656 1.501) 2.931 10.234 ( 3.366 -1.488 -2.499) 4.449 10.495 ( 0.355 2.882 -3.508) 4.554 10.761 ( -0.164 -4.897 1.804) 5.221 11.096 ( -12.378 -2.173 2.035) 12.731 11.157 ( -10.618 -1.968 0.049) 10.799 11.498 ( 0.752 1.328 -1.009) 1.830 11.693 ( -2.555 -0.342 0.784) 2.694 12.527 ( 10.239 0.926 -0.731) 10.307 12.616 ( 8.821 -0.510 0.206) 8.838 12.966 ( -0.965 0.911 -1.050) 1.692 13.154 ( 1.708 -3.118 -1.746) 3.960 13.652 ( 5.703 1.664 1.660) 6.169 13.807 ( 1.727 -0.961 -1.041) 2.234 13.948 ( -3.857 -2.639 0.042) 4.674 14.125 ( -2.104 -0.497 0.728) 2.281 14.313 ( 1.198 -2.688 -9.136) 9.599 14.402 ( 0.572 0.022 -5.167) 5.199 15.142 ( -7.298 -0.944 -4.012) 8.382 15.215 ( -3.983 -0.432 0.104) 4.007 15.528 ( 6.836 2.055 0.577) 7.161 15.581 ( 0.051 0.778 0.857) 1.158 15.718 ( -2.953 -1.450 1.647) 3.679 15.895 ( 5.033 -2.162 3.111) 6.300 16.237 ( 8.584 -2.583 -0.931) 9.013 16.318 ( 4.817 -2.468 -1.066) 5.516 16.990 ( -4.219 1.271 2.259) 4.951 17.083 ( -4.018 -0.284 0.102) 4.029 19.262 ( 3.833 2.350 1.166) 4.645 19.472 ( 0.358 -0.567 -0.111) 0.680 20.918 ( -2.260 -0.507 1.117) 2.572 20.990 ( -2.087 -0.957 -1.355) 2.666 21.554 ( 10.309 3.768 -1.941) 11.146 21.832 ( 5.090 -0.626 -0.090) 5.129 22.798 ( -4.560 3.198 -2.249) 6.007 23.017 ( -7.205 -0.450 1.504) 7.374 26.774 ( 16.797 1.668 0.805) 16.899 27.517 ( 22.133 -16.840 -16.534) 32.355 28.728 ( -24.870 2.841 1.498) 25.077 29.008 ( -22.401 -0.425 -0.613) 22.413 30.900 ( 9.215 -0.522 4.672) 10.344 30.952 ( 8.058 -0.794 4.536) 9.280 31.304 ( 8.418 1.249 -0.393) 8.519 31.407 ( 3.774 1.752 1.610) 4.462 31.493 ( 4.969 0.362 0.844) 5.053 31.943 ( -5.097 -3.868 0.990) 6.474 32.122 ( -8.003 -1.722 -2.505) 8.561 32.270 ( -11.554 -4.710 5.139) 13.494 33.122 ( 11.278 -0.198 2.071) 11.468 33.222 ( 11.805 -1.707 0.821) 11.956 33.811 ( -6.795 1.371 0.457) 6.947 34.011 ( -8.004 -0.780 -2.147) 8.324 35.288 ( 2.461 4.096 -1.230) 4.934 35.522 ( -0.312 3.588 3.350) 4.919 35.798 ( 3.570 -1.066 -3.295) 4.974 35.983 ( 3.600 1.887 -0.956) 4.176 36.292 ( -1.991 7.754 -2.635) 8.428 36.369 ( 1.817 0.974 3.841) 4.359 37.754 ( -2.296 1.386 7.057) 7.549 38.307 ( -11.633 -5.627 -4.314) 13.623 ======================= Grid point 59 (27/88) ======================= q-point: ( 0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 7.373 3.233 3.723) 8.870 1.628 ( -2.280 -6.487 1.222) 6.984 1.754 ( 0.678 0.408 5.372) 5.430 2.007 ( -7.270 6.828 6.143) 11.714 2.135 ( 2.290 2.754 3.868) 5.272 2.284 ( 7.599 -3.085 -2.626) 8.612 2.407 ( 0.612 0.173 11.605) 11.622 2.635 ( 0.011 6.052 -2.219) 6.446 2.779 ( 6.408 2.204 -1.225) 6.887 2.941 ( -0.515 2.523 -1.900) 3.200 2.979 ( 10.169 4.116 1.574) 11.082 3.079 ( -3.006 6.397 -3.029) 7.690 3.210 ( 4.289 5.961 2.830) 7.870 3.402 ( -8.073 2.661 -3.330) 9.130 3.797 ( 5.454 -1.868 2.246) 6.187 3.906 ( 8.481 1.221 3.053) 9.096 3.964 ( 0.217 2.722 -0.887) 2.872 4.101 ( -4.389 0.618 -1.725) 4.756 4.224 ( -1.852 2.937 3.462) 4.903 4.339 ( -3.943 -0.601 2.479) 4.696 4.540 ( 3.685 4.050 -3.522) 6.510 4.629 ( -1.856 -0.263 -4.386) 4.770 4.771 ( -4.341 -0.012 -2.311) 4.918 4.825 ( 0.160 -1.008 3.147) 3.308 4.956 ( 3.098 -1.328 -0.398) 3.394 5.089 ( -2.345 1.397 -2.224) 3.521 5.248 ( -3.473 -1.713 5.250) 6.524 5.290 ( -0.702 2.814 2.206) 3.644 5.446 ( 2.753 0.769 2.279) 3.656 5.599 ( -4.482 4.306 2.610) 6.741 5.890 ( 2.281 1.624 -3.202) 4.253 6.000 ( -1.466 0.037 -4.274) 4.518 6.116 ( -5.224 2.650 1.144) 5.969 6.243 ( -0.640 1.818 -2.821) 3.416 6.953 ( 1.231 -0.135 -2.451) 2.746 6.994 ( 4.026 0.764 -3.426) 5.341 7.181 ( -4.316 3.017 1.720) 5.540 7.388 ( 1.352 -3.930 -0.452) 4.181 7.486 ( -2.695 0.896 0.545) 2.892 7.728 ( -0.483 2.231 0.478) 2.333 8.309 ( 2.715 -0.647 0.983) 2.959 8.602 ( 4.531 -5.076 -2.502) 7.249 8.918 ( -3.466 -0.274 3.849) 5.187 9.160 ( -1.261 -2.026 -0.622) 2.466 9.380 ( 0.240 0.297 -1.410) 1.461 9.525 ( 1.536 -4.801 1.011) 5.141 9.712 ( -0.051 -2.811 2.218) 3.581 9.783 ( -2.860 -4.951 -3.263) 6.583 10.164 ( 9.085 -0.911 0.455) 9.142 10.297 ( 2.704 -1.764 -1.405) 3.521 10.471 ( -1.549 2.394 -3.528) 4.537 10.721 ( -4.701 -3.229 3.059) 6.471 10.906 ( -8.237 -2.090 -0.255) 8.502 11.004 ( -2.247 -2.660 1.851) 3.943 11.522 ( 1.274 0.943 -0.994) 1.871 11.650 ( -1.788 0.129 0.024) 1.793 12.668 ( 3.780 1.222 -1.404) 4.214 12.735 ( 3.173 0.239 0.549) 3.229 12.963 ( 0.329 1.003 -0.745) 1.292 13.178 ( 0.754 -2.536 -1.404) 2.995 13.749 ( 3.763 -0.990 0.547) 3.930 13.825 ( -2.251 -2.894 -0.338) 3.682 13.908 ( 1.298 2.441 1.865) 3.335 14.029 ( -3.658 1.944 0.742) 4.208 14.293 ( -1.302 -1.053 -3.240) 3.647 14.499 ( 5.653 -3.208 -7.820) 10.169 14.996 ( -7.133 -0.525 -5.595) 9.081 15.155 ( -0.547 -1.169 1.701) 2.135 15.590 ( 0.322 1.064 -0.591) 1.259 15.656 ( 4.747 -0.543 -1.221) 4.931 15.689 ( 1.065 -0.263 2.878) 3.080 15.925 ( -2.494 -3.337 4.203) 5.918 16.326 ( 2.782 0.117 -3.031) 4.115 16.447 ( 4.899 -2.279 -0.063) 5.403 16.909 ( -3.432 1.165 1.886) 4.086 17.004 ( -3.101 -0.615 -0.283) 3.174 19.330 ( 2.572 1.756 0.986) 3.267 19.465 ( -1.022 -0.063 -0.140) 1.034 20.881 ( -1.420 -0.030 0.758) 1.610 20.963 ( -0.455 -1.160 -0.796) 1.479 21.744 ( 7.935 2.607 -1.996) 8.587 21.892 ( 0.304 0.219 0.498) 0.623 22.743 ( -0.170 2.301 -0.809) 2.445 22.882 ( -5.689 0.099 1.044) 5.785 27.089 ( 12.055 2.433 1.854) 12.437 27.786 ( 4.878 -10.431 -10.286) 15.440 28.316 ( -14.219 2.346 1.087) 14.452 28.697 ( -6.701 -2.913 -6.214) 9.592 31.034 ( 3.911 -1.377 2.414) 4.798 31.078 ( 3.536 -1.922 3.519) 5.347 31.426 ( 0.729 1.319 2.913) 3.279 31.471 ( 5.900 0.492 -0.923) 5.992 31.641 ( 7.031 0.878 1.701) 7.287 31.837 ( -3.640 0.428 3.167) 4.844 31.973 ( -6.723 -2.154 -0.654) 7.089 32.076 ( -7.301 -3.800 5.304) 9.792 33.318 ( 7.401 -0.152 1.307) 7.517 33.427 ( 7.593 -0.989 -1.054) 7.730 33.679 ( -5.399 0.845 0.709) 5.511 33.850 ( -6.889 -0.742 -1.361) 7.061 35.338 ( 2.472 3.644 -2.177) 4.912 35.510 ( -1.348 2.970 3.647) 4.893 35.858 ( 2.585 1.481 -1.294) 3.248 36.048 ( 2.726 -0.382 -2.687) 3.847 36.215 ( -3.816 9.304 -2.788) 10.436 36.444 ( 4.360 0.170 6.012) 7.428 37.764 ( 0.366 -1.936 2.415) 3.117 38.095 ( -7.037 -5.816 -3.227) 9.683 ======================= Grid point 60 (28/88) ======================= q-point: (-0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -7.413 -11.632 1.424) 13.867 1.610 ( -3.364 -3.632 -0.108) 4.952 1.757 ( -4.939 6.268 6.116) 10.054 1.916 ( 4.999 8.452 5.507) 11.258 2.080 ( -2.979 0.925 -1.137) 3.320 2.340 ( -1.486 0.951 8.225) 8.412 2.450 ( -13.709 4.516 -1.228) 14.486 2.598 ( 5.978 0.303 -0.599) 6.016 2.717 ( -5.459 4.860 4.372) 8.517 2.851 ( -4.754 11.635 0.415) 12.575 3.042 ( 0.792 -0.259 -1.344) 1.582 3.183 ( 6.356 2.347 -3.718) 7.729 3.301 ( -2.388 3.663 7.799) 8.941 3.434 ( 8.116 -3.969 -2.935) 9.499 3.796 ( -4.209 4.155 1.125) 6.020 3.918 ( -1.584 1.055 0.778) 2.056 4.012 ( -0.856 4.079 6.289) 7.545 4.078 ( -2.978 1.345 -3.502) 4.790 4.158 ( -0.408 0.079 0.222) 0.471 4.356 ( 9.484 -0.201 2.990) 9.946 4.568 ( -2.741 -0.821 -1.593) 3.274 4.649 ( 1.027 1.225 -4.100) 4.401 4.706 ( 1.027 1.831 -1.826) 2.783 4.884 ( 3.984 0.777 1.172) 4.224 4.981 ( -1.359 0.346 -1.686) 2.193 5.035 ( -1.152 -1.736 -2.919) 3.587 5.213 ( 0.110 -0.612 3.734) 3.786 5.248 ( -2.942 2.621 2.318) 4.572 5.515 ( 4.142 1.808 4.143) 6.131 5.571 ( 0.929 5.099 1.377) 5.363 5.890 ( -2.503 3.021 -2.970) 4.920 5.999 ( 1.599 1.953 -2.704) 3.699 6.079 ( 2.268 0.109 -0.729) 2.384 6.234 ( -0.427 0.308 -2.839) 2.888 6.927 ( -1.928 2.081 -2.785) 3.975 7.009 ( -3.635 3.099 -1.070) 4.895 7.211 ( 7.114 -0.138 -3.394) 7.884 7.421 ( 1.799 -4.768 4.475) 6.782 7.507 ( 4.874 0.392 0.698) 4.939 7.690 ( -3.229 2.150 -0.829) 3.967 8.319 ( -2.372 -1.018 1.150) 2.826 8.637 ( -1.605 -7.182 -1.633) 7.538 8.876 ( -0.004 0.735 2.536) 2.640 9.118 ( -2.841 0.461 -1.750) 3.369 9.397 ( 1.629 -2.562 -0.421) 3.065 9.540 ( 0.062 -4.442 0.298) 4.453 9.649 ( -3.052 -0.682 0.111) 3.130 9.842 ( 6.250 -4.393 -0.191) 7.641 10.213 ( -5.234 -1.194 2.080) 5.758 10.417 ( 6.696 -4.390 1.114) 8.085 10.462 ( -0.008 0.432 -2.322) 2.362 10.623 ( -2.720 -0.874 -1.321) 3.147 10.810 ( 1.277 0.195 -0.935) 1.595 11.056 ( 5.968 -3.150 1.980) 7.033 11.533 ( -0.309 0.465 -0.660) 0.864 11.626 ( -0.442 0.304 -0.759) 0.930 12.680 ( -2.202 1.393 -1.015) 2.796 12.740 ( -3.106 0.142 0.687) 3.185 12.960 ( -0.394 0.798 -0.865) 1.241 13.175 ( -1.077 -2.578 -1.460) 3.152 13.748 ( -5.017 -0.235 0.167) 5.026 13.827 ( 2.496 -2.064 -0.357) 3.258 13.868 ( -0.129 1.272 0.757) 1.486 14.076 ( 3.223 -0.130 2.641) 4.169 14.317 ( 4.148 -0.407 -2.400) 4.809 14.537 ( -1.338 -1.970 -7.553) 7.920 14.889 ( -1.905 1.691 -4.465) 5.140 15.211 ( 4.830 -2.686 -0.585) 5.558 15.593 ( 0.290 0.593 -0.499) 0.827 15.650 ( -1.654 -0.186 -0.415) 1.715 15.796 ( 2.274 -0.348 1.114) 2.556 15.846 ( -1.120 -4.336 5.681) 7.234 16.315 ( -4.819 -0.302 -2.944) 5.655 16.451 ( -4.590 -1.979 0.108) 5.000 16.891 ( 2.018 1.125 0.932) 2.491 16.989 ( 1.653 -0.906 -0.484) 1.946 19.343 ( -1.766 1.279 1.579) 2.692 19.443 ( -0.813 -0.007 -0.887) 1.203 20.867 ( 0.110 0.397 0.271) 0.493 20.975 ( 1.605 -1.111 -0.286) 1.973 21.771 ( -6.514 2.401 -1.524) 7.108 21.886 ( 0.462 0.766 0.617) 1.087 22.790 ( 2.420 1.512 0.408) 2.883 22.838 ( 3.728 0.742 -0.289) 3.812 27.101 ( -11.088 2.137 2.511) 11.568 27.689 ( -13.206 -8.420 -12.388) 19.969 28.303 ( 14.025 3.382 0.893) 14.454 28.780 ( 13.459 -4.665 -4.944) 15.078 31.030 ( -5.419 -1.684 2.268) 6.111 31.079 ( -2.678 -1.801 3.715) 4.921 31.418 ( -1.908 -0.122 2.373) 3.047 31.525 ( -1.043 -0.050 -0.705) 1.260 31.658 ( -5.782 1.802 4.045) 7.283 31.795 ( -0.508 -0.810 0.851) 1.280 31.954 ( 5.583 0.172 0.364) 5.598 32.071 ( 6.617 -3.311 4.788) 8.813 33.316 ( -7.683 0.221 0.757) 7.723 33.439 ( -7.213 -1.232 -0.313) 7.324 33.667 ( 5.008 1.011 0.386) 5.123 33.849 ( 6.919 -0.837 -1.403) 7.109 35.376 ( 1.446 3.289 -2.125) 4.174 35.469 ( -2.964 3.502 3.107) 5.541 35.892 ( 0.623 3.961 0.475) 4.038 36.071 ( 0.158 -1.082 -7.031) 7.116 36.184 ( 0.830 3.567 3.114) 4.808 36.528 ( 3.436 1.175 5.856) 6.890 37.678 ( -6.967 -0.689 -0.631) 7.029 38.124 ( 8.217 -5.762 -1.802) 10.197 ======================= Grid point 61 (29/88) ======================= q-point: (-0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -16.638 -6.572 1.846) 17.984 1.480 ( -12.009 3.345 8.089) 14.860 1.684 ( -0.181 -0.725 2.954) 3.047 1.946 ( -4.675 6.133 1.790) 7.916 2.082 ( 2.388 9.039 -0.492) 9.362 2.189 ( -6.936 4.778 3.270) 9.035 2.360 ( -5.586 -2.441 2.995) 6.792 2.479 ( -5.069 3.690 8.803) 10.808 2.642 ( -3.566 4.398 1.286) 5.806 2.920 ( 3.840 0.910 -0.964) 4.063 2.995 ( -5.207 0.298 10.477) 11.703 3.197 ( -0.370 3.655 6.206) 7.212 3.326 ( 3.889 5.726 -0.524) 6.941 3.464 ( -1.525 -2.406 -2.899) 4.065 3.756 ( -4.419 -0.524 0.468) 4.475 3.797 ( -5.674 0.646 0.837) 5.772 3.969 ( -0.449 4.274 2.055) 4.764 4.108 ( 5.199 3.699 -2.546) 6.870 4.237 ( 2.167 0.189 -2.123) 3.039 4.447 ( -3.021 0.939 -2.320) 3.923 4.529 ( 0.425 1.082 -2.702) 2.941 4.657 ( 5.286 1.198 -1.877) 5.736 4.743 ( -1.272 -0.469 -5.393) 5.561 4.914 ( -0.655 1.497 -2.254) 2.784 4.971 ( 1.980 -0.994 -3.651) 4.271 5.057 ( 1.564 -1.337 -0.941) 2.263 5.160 ( -2.524 4.483 1.661) 5.406 5.292 ( 4.255 0.361 1.256) 4.452 5.560 ( 0.242 5.221 6.097) 8.030 5.670 ( 8.942 2.392 0.376) 9.265 5.915 ( 5.444 1.429 -1.137) 5.742 6.019 ( 1.829 4.097 -0.706) 4.542 6.149 ( 3.542 -1.202 -0.027) 3.740 6.217 ( -1.122 -1.662 0.946) 2.217 6.841 ( -5.761 4.459 -1.894) 7.527 6.984 ( 0.160 2.216 -2.176) 3.110 7.308 ( 2.296 -0.844 1.773) 3.021 7.458 ( -1.979 -3.851 0.261) 4.338 7.638 ( 7.533 1.092 0.488) 7.627 7.675 ( 5.935 2.022 0.458) 6.286 8.215 ( -7.785 -0.967 0.085) 7.845 8.543 ( -6.825 -6.915 -1.510) 9.833 8.913 ( 2.260 0.435 3.119) 3.876 9.079 ( 0.080 1.050 -2.517) 2.728 9.432 ( 1.866 -3.195 0.095) 3.701 9.558 ( 2.175 -4.289 -0.241) 4.815 9.622 ( -0.114 -1.796 0.353) 1.834 9.946 ( 1.955 -5.841 0.356) 6.170 10.083 ( -5.937 1.148 2.215) 6.440 10.320 ( -7.690 -2.661 -0.224) 8.140 10.559 ( 4.190 -1.954 -3.124) 5.580 10.602 ( -0.979 -1.453 -0.857) 1.951 11.003 ( 15.816 0.787 -0.242) 15.837 11.211 ( 8.897 -2.513 0.722) 9.273 11.521 ( -0.028 0.175 0.121) 0.214 11.633 ( 1.072 -0.285 -1.214) 1.645 12.579 ( -8.990 0.607 0.995) 9.065 12.606 ( -8.898 -0.343 -0.272) 8.909 12.970 ( 1.597 0.370 -1.056) 1.951 13.137 ( -2.611 -2.970 -2.329) 4.590 13.627 ( -6.155 1.945 0.037) 6.455 13.857 ( 1.648 -1.771 0.794) 2.546 13.947 ( 4.784 -1.660 0.696) 5.111 14.058 ( -4.776 -5.772 -2.058) 7.769 14.418 ( 4.664 1.972 -3.111) 5.943 14.494 ( -1.017 1.433 -6.750) 6.975 14.931 ( 5.211 2.559 -2.304) 6.246 15.279 ( 1.575 -1.952 -3.075) 3.969 15.575 ( -3.349 -0.194 -0.466) 3.387 15.641 ( 0.630 0.463 0.402) 0.879 15.734 ( -1.038 -1.016 2.548) 2.933 15.949 ( 4.882 -4.193 7.653) 9.999 16.150 ( -10.106 -2.296 -3.026) 10.796 16.290 ( -10.992 -3.332 -1.879) 11.638 16.965 ( 4.312 0.832 0.838) 4.471 17.047 ( 3.606 -0.571 -0.556) 3.693 19.277 ( -4.380 1.277 1.972) 4.970 19.425 ( -1.222 -0.716 -1.422) 2.007 20.892 ( 2.510 0.980 0.218) 2.703 21.019 ( 2.695 -0.940 0.058) 2.855 21.590 ( -10.093 4.068 -1.042) 10.931 21.849 ( -4.505 -0.300 0.282) 4.524 22.838 ( 3.677 2.704 -1.958) 4.967 22.988 ( 8.755 -0.185 0.653) 8.782 26.798 ( -16.739 1.178 2.034) 16.903 27.309 ( -23.951 -10.536 -18.717) 32.171 28.734 ( 26.146 4.139 1.173) 26.498 29.136 ( 21.815 -3.864 -0.285) 22.156 30.850 ( -11.919 0.143 3.285) 12.364 30.985 ( -7.164 -2.366 5.615) 9.404 31.335 ( -6.179 -1.729 0.962) 6.488 31.446 ( -5.647 -0.642 1.050) 5.779 31.553 ( -3.563 3.480 4.012) 6.396 31.817 ( 1.177 -3.022 -3.251) 4.592 32.127 ( 10.896 0.320 1.040) 10.950 32.246 ( 9.603 -3.349 3.184) 10.657 33.109 ( -12.291 0.429 1.186) 12.356 33.234 ( -11.719 -1.273 1.312) 11.861 33.801 ( 6.932 1.406 0.248) 7.078 34.011 ( 8.136 -0.978 -2.205) 8.486 35.371 ( -2.978 4.237 1.866) 5.505 35.426 ( -0.109 3.417 -1.168) 3.613 35.885 ( -0.957 4.207 -0.233) 4.320 36.080 ( 1.148 -2.277 -4.967) 5.583 36.215 ( 1.167 -1.713 5.811) 6.170 36.554 ( -1.889 -1.349 1.946) 3.029 37.621 ( 3.467 6.216 4.291) 8.310 38.318 ( 10.338 -5.366 -3.285) 12.103 ======================= Grid point 62 (30/88) ======================= q-point: (-0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -9.265 4.784 20.643) 23.127 1.166 ( -16.531 14.514 14.361) 26.271 1.678 ( -19.539 11.730 13.522) 26.500 1.765 ( 0.907 -0.842 2.320) 2.630 2.027 ( -1.467 5.175 9.116) 10.584 2.199 ( 2.840 6.923 -0.510) 7.500 2.254 ( 0.239 -8.256 2.584) 8.654 2.549 ( 6.826 4.297 -2.233) 8.369 2.606 ( 1.230 5.746 0.540) 5.900 2.845 ( -10.160 0.365 8.942) 13.539 2.952 ( 1.103 0.351 -2.899) 3.122 3.171 ( -6.619 1.944 3.400) 7.691 3.307 ( -3.379 0.462 -0.756) 3.493 3.493 ( -9.273 -1.640 1.335) 9.511 3.632 ( 12.339 -2.261 0.206) 12.546 3.837 ( 2.966 2.269 -1.408) 3.991 3.972 ( -0.182 3.586 -1.000) 3.727 4.154 ( -2.323 -1.034 -2.770) 3.760 4.267 ( 5.824 2.849 -0.870) 6.541 4.405 ( -2.077 2.426 -3.684) 4.876 4.533 ( -0.656 4.235 -4.590) 6.280 4.669 ( -4.210 -0.199 -4.709) 6.320 4.757 ( 3.399 1.297 0.453) 3.666 4.897 ( -1.055 3.934 -4.864) 6.344 4.987 ( -3.331 -2.071 -1.516) 4.205 5.080 ( 5.396 1.182 -7.118) 9.010 5.166 ( 0.817 3.202 3.576) 4.869 5.368 ( 3.242 -0.950 0.935) 3.506 5.557 ( -0.365 7.547 5.275) 9.215 5.873 ( 9.725 0.672 -0.288) 9.752 6.032 ( 5.076 3.763 -0.195) 6.321 6.057 ( 0.141 0.445 0.887) 1.002 6.211 ( 3.671 -0.847 2.075) 4.301 6.261 ( 6.541 -4.996 4.356) 9.312 6.737 ( -3.842 3.055 -1.483) 5.128 6.959 ( -3.743 2.502 -0.171) 4.505 7.320 ( -2.561 1.280 0.442) 2.897 7.384 ( 0.323 2.141 -0.441) 2.210 7.785 ( 4.233 -0.005 3.124) 5.261 7.874 ( 12.739 -0.247 1.164) 12.795 8.049 ( -7.235 -1.155 -3.930) 8.314 8.396 ( -7.638 -4.593 -1.473) 9.034 8.952 ( 2.071 -2.329 2.031) 3.720 9.127 ( 4.062 0.756 0.545) 4.168 9.473 ( 2.153 -2.603 -0.857) 3.486 9.591 ( 0.148 -5.176 1.599) 5.420 9.642 ( 1.396 -4.043 -1.562) 4.554 9.854 ( -6.991 -0.413 2.702) 7.507 10.040 ( -1.341 -2.387 -3.460) 4.412 10.222 ( -1.616 -1.761 -0.432) 2.429 10.549 ( -2.609 -0.683 1.821) 3.254 10.638 ( 2.436 -2.766 -3.793) 5.289 11.317 ( 12.148 -1.091 -1.637) 12.306 11.359 ( 7.281 -1.349 0.302) 7.411 11.568 ( 4.438 -0.729 1.344) 4.694 11.660 ( 1.678 -1.143 0.182) 2.038 12.335 ( -13.440 0.337 1.621) 13.542 12.438 ( -8.857 -2.466 -0.806) 9.229 13.008 ( 1.509 0.184 -1.757) 2.324 13.072 ( -3.023 -1.829 -1.916) 4.019 13.530 ( -3.395 1.273 -0.575) 3.671 13.782 ( -12.074 -8.331 -1.452) 14.741 13.970 ( 0.549 -0.724 -3.721) 3.830 14.057 ( 4.256 -1.283 0.117) 4.447 14.411 ( -5.320 7.526 -8.545) 12.568 14.513 ( 2.177 1.112 -2.634) 3.594 15.051 ( 7.069 1.475 0.769) 7.262 15.306 ( 1.905 -1.912 -1.192) 2.950 15.470 ( -5.643 1.844 0.132) 5.938 15.613 ( -4.374 0.704 -0.130) 4.432 15.795 ( 2.894 -3.563 2.314) 5.140 15.912 ( -4.595 1.154 -0.817) 4.807 16.050 ( -12.021 -3.117 -3.308) 12.852 16.086 ( 2.666 -10.673 9.683) 14.656 17.034 ( 2.455 0.934 0.706) 2.720 17.112 ( 2.554 -0.150 -0.508) 2.608 19.195 ( -3.483 1.732 1.585) 4.200 19.400 ( -0.804 -1.178 -1.232) 1.885 20.957 ( 3.397 1.395 0.422) 3.696 21.074 ( 2.740 -0.607 0.028) 2.806 21.416 ( -6.749 5.659 -1.090) 8.875 21.726 ( -7.206 -1.441 -1.428) 7.486 22.929 ( 5.307 4.405 -1.730) 7.111 23.130 ( 4.699 -0.973 -0.340) 4.811 26.516 ( -11.009 0.101 0.967) 11.052 26.748 ( -29.851 -7.377 -14.487) 33.991 29.231 ( 22.063 3.236 1.524) 22.351 29.596 ( 22.533 -2.437 -0.606) 22.672 30.618 ( -9.504 -0.454 4.288) 10.437 30.826 ( -8.457 -5.240 8.514) 13.094 31.222 ( -4.739 -2.157 1.337) 5.376 31.344 ( -4.043 -1.802 1.143) 4.572 31.522 ( 0.097 3.135 2.510) 4.017 31.765 ( -6.997 -1.830 -7.669) 10.542 32.362 ( 12.434 0.089 2.982) 12.787 32.444 ( 10.693 -2.962 1.498) 11.197 32.854 ( -13.457 0.438 1.788) 13.582 33.014 ( -10.483 -2.714 3.666) 11.432 33.913 ( 4.162 1.729 0.148) 4.510 34.141 ( 4.947 -0.751 -2.784) 5.726 35.300 ( -3.388 4.825 2.333) 6.340 35.443 ( 1.470 3.715 -2.090) 4.509 35.867 ( -0.676 2.685 -0.382) 2.795 36.084 ( -2.391 -4.533 -1.354) 5.301 36.209 ( -2.177 -5.542 6.137) 8.551 36.465 ( -5.089 -1.663 -2.708) 5.999 37.852 ( 17.879 9.477 5.991) 21.104 38.489 ( 6.555 -4.727 -4.014) 9.024 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 5.167 13.073 19.713) 24.212 1.355 ( -0.280 17.311 14.582) 22.636 1.652 ( -5.097 -1.189 2.285) 5.710 1.856 ( -0.069 0.213 4.926) 4.931 2.018 ( 1.942 0.325 5.070) 5.439 2.118 ( 4.985 -0.490 12.406) 13.379 2.402 ( -2.943 4.514 0.899) 5.464 2.546 ( -3.135 0.540 0.022) 3.181 2.681 ( 1.001 -1.049 -1.527) 2.105 2.805 ( -2.744 -2.493 3.155) 4.868 2.954 ( -2.355 8.052 0.796) 8.427 3.136 ( 1.566 2.346 1.050) 3.010 3.237 ( -1.544 0.612 -2.759) 3.220 3.488 ( 0.672 9.346 -2.361) 9.663 3.733 ( -2.028 -7.366 0.699) 7.672 3.904 ( 0.333 -0.068 -0.066) 0.346 4.045 ( 5.201 0.865 -1.974) 5.630 4.062 ( -0.249 0.629 -0.743) 1.005 4.379 ( -1.378 1.848 -3.073) 3.841 4.475 ( 2.738 -0.358 -3.766) 4.670 4.550 ( -0.566 2.810 -0.637) 2.936 4.618 ( -1.605 2.470 0.063) 2.946 4.812 ( -1.279 1.547 -2.038) 2.860 4.946 ( 2.995 -1.659 1.527) 3.749 5.075 ( -1.815 6.802 -1.658) 7.233 5.178 ( 0.391 4.529 -1.769) 4.878 5.264 ( 1.441 2.609 -3.769) 4.805 5.413 ( 3.954 1.673 -4.363) 6.121 5.669 ( -1.210 4.196 2.471) 5.017 5.912 ( -6.639 -2.749 2.936) 7.763 6.036 ( -3.298 0.357 -0.243) 3.326 6.142 ( 1.720 -2.901 4.843) 5.901 6.193 ( 2.279 2.227 1.001) 3.340 6.285 ( 2.700 -3.198 3.629) 5.539 6.766 ( 0.486 3.420 -1.728) 3.863 6.883 ( -2.844 -0.409 1.305) 3.156 7.379 ( 0.305 5.548 -3.100) 6.363 7.481 ( -0.246 1.236 -5.465) 5.608 7.764 ( -4.463 1.390 1.211) 4.829 7.930 ( 0.585 -4.528 0.296) 4.575 8.069 ( 5.273 -1.399 1.436) 5.641 8.203 ( -0.414 -5.028 0.033) 5.045 8.922 ( 0.544 0.304 0.065) 0.626 9.170 ( 1.968 -5.270 0.664) 5.665 9.392 ( -0.567 -3.484 -0.737) 3.606 9.479 ( -0.090 -3.896 -0.982) 4.019 9.641 ( 0.145 0.864 -1.887) 2.080 9.720 ( -4.644 -2.641 0.582) 5.374 9.969 ( 0.834 -0.990 -0.271) 1.323 10.139 ( -0.182 -6.236 0.077) 6.240 10.511 ( -0.550 1.222 -0.763) 1.542 10.599 ( 1.248 -3.374 -0.322) 3.612 11.366 ( 0.202 -0.603 -0.970) 1.160 11.438 ( 0.828 -4.005 -0.729) 4.154 11.602 ( -0.625 0.474 0.272) 0.830 11.666 ( 1.340 -2.425 2.132) 3.496 12.194 ( -1.019 2.138 0.939) 2.547 12.270 ( -0.238 -1.306 0.235) 1.348 13.024 ( -0.160 0.806 -2.023) 2.184 13.056 ( 0.807 -0.832 -1.051) 1.564 13.534 ( 1.484 1.625 -1.590) 2.715 13.571 ( 0.374 0.133 -1.539) 1.589 13.995 ( -1.050 1.627 -2.009) 2.790 14.083 ( 1.204 -2.566 -0.053) 2.835 14.431 ( -3.647 4.345 -6.762) 8.826 14.519 ( -3.345 -0.350 -5.015) 6.038 15.215 ( 5.479 1.112 3.641) 6.672 15.303 ( 2.917 -2.372 5.163) 6.387 15.438 ( -2.659 2.974 -1.529) 4.273 15.509 ( -2.459 -0.523 -1.693) 3.031 15.737 ( -2.262 0.034 3.001) 3.758 15.840 ( -3.846 -2.779 -1.930) 5.122 15.925 ( 2.417 2.159 1.988) 3.802 16.054 ( 5.457 -4.245 5.440) 8.797 17.098 ( 0.944 1.496 0.532) 1.847 17.139 ( 0.641 -0.311 0.321) 0.781 19.222 ( 0.488 3.463 1.198) 3.696 19.364 ( 1.448 -3.065 0.798) 3.483 21.019 ( -0.918 1.850 -0.281) 2.085 21.088 ( -0.634 -1.263 -0.530) 1.509 21.438 ( -1.480 4.528 -1.509) 4.997 21.589 ( 0.047 -2.916 -0.166) 2.922 23.077 ( -0.445 3.144 -1.904) 3.703 23.150 ( -0.026 -0.616 0.413) 0.742 26.400 ( 0.230 -0.009 -0.070) 0.240 26.409 ( 1.767 -0.522 0.215) 1.855 29.548 ( -1.638 6.618 0.783) 6.862 29.832 ( -2.481 -3.120 -8.798) 9.659 30.468 ( 3.487 -4.734 9.704) 11.346 30.535 ( -0.462 -5.133 4.919) 7.124 31.171 ( -0.503 2.231 0.155) 2.292 31.257 ( -0.048 -1.942 -0.030) 1.943 31.559 ( -1.955 3.615 -0.057) 4.111 31.705 ( 2.423 -2.122 -2.297) 3.956 32.554 ( -2.957 0.814 0.910) 3.199 32.598 ( 2.212 -1.184 0.344) 2.532 32.674 ( 4.652 0.265 3.086) 5.589 32.748 ( -4.587 -3.106 4.949) 7.428 34.011 ( 0.196 3.415 -0.473) 3.453 34.157 ( 0.203 -2.845 -2.456) 3.764 35.379 ( -1.620 7.407 2.095) 7.866 35.589 ( 3.695 4.002 -2.061) 5.824 35.750 ( -7.424 -2.953 5.007) 9.429 35.950 ( -0.647 -2.881 -2.751) 4.035 36.173 ( 2.129 2.295 6.096) 6.853 36.392 ( 1.322 -3.880 1.876) 4.508 38.172 ( -0.124 5.036 -4.940) 7.056 38.438 ( 0.297 -7.088 -4.601) 8.456 ======================= Grid point 64 (32/88) ======================= q-point: ( 0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 7.355 7.108 10.278) 14.501 1.459 ( 9.754 14.341 9.787) 19.914 1.620 ( 0.969 -4.853 6.398) 8.089 1.831 ( -0.965 -1.599 3.177) 3.685 2.105 ( 4.826 -2.295 7.386) 9.117 2.195 ( 3.695 6.950 13.290) 15.446 2.330 ( -2.495 9.224 -0.679) 9.579 2.546 ( 1.832 0.094 3.030) 3.542 2.691 ( 0.328 -1.349 -0.557) 1.496 2.769 ( 1.215 0.890 2.363) 2.802 2.962 ( 2.846 7.355 -2.615) 8.308 3.228 ( 5.244 1.693 -6.630) 8.621 3.303 ( 5.375 -2.133 8.550) 10.322 3.495 ( -0.432 10.120 -3.664) 10.772 3.643 ( -2.668 -5.554 -1.111) 6.261 3.845 ( -3.924 -2.420 0.167) 4.613 4.063 ( -2.555 3.293 1.218) 4.342 4.173 ( 6.379 1.598 -2.465) 7.022 4.345 ( -0.752 3.147 -0.672) 3.304 4.479 ( 0.145 -2.073 -1.848) 2.781 4.565 ( -0.791 6.334 0.378) 6.395 4.656 ( 5.053 -0.412 -3.725) 6.291 4.766 ( -3.570 3.580 -6.327) 8.098 4.932 ( -7.668 4.068 4.121) 9.609 5.005 ( 0.639 -3.533 1.629) 3.943 5.204 ( 0.431 0.142 -1.378) 1.450 5.282 ( 0.605 2.836 -5.479) 6.199 5.431 ( -4.572 1.721 -2.933) 5.698 5.606 ( -8.562 2.792 1.304) 9.100 5.729 ( -2.740 0.302 3.715) 4.626 5.990 ( -0.698 2.780 -2.665) 3.914 6.118 ( -5.313 1.579 1.092) 5.649 6.220 ( 1.573 1.555 3.533) 4.169 6.327 ( 0.204 -5.082 5.994) 7.861 6.803 ( 2.592 3.112 -3.875) 5.605 6.909 ( 4.215 -1.007 1.007) 4.449 7.341 ( -4.880 2.497 -2.296) 5.943 7.411 ( -3.772 0.718 -3.184) 4.988 7.718 ( -0.103 5.465 0.440) 5.484 7.892 ( -5.439 -1.102 1.322) 5.705 8.143 ( 3.477 -2.960 1.795) 4.906 8.247 ( 4.536 -5.932 -1.611) 7.640 8.954 ( 2.045 0.533 0.113) 2.116 9.197 ( -0.066 -4.658 1.559) 4.912 9.352 ( -1.874 -1.722 -0.497) 2.594 9.437 ( -3.347 -3.272 -1.069) 4.801 9.640 ( -1.437 -2.347 0.142) 2.756 9.665 ( 0.985 -2.185 -1.558) 2.859 10.024 ( 3.314 -1.635 -0.959) 3.818 10.146 ( 0.763 -5.095 -0.441) 5.170 10.517 ( 1.402 2.210 -1.373) 2.956 10.635 ( 1.888 -4.501 0.009) 4.880 11.299 ( -7.752 -1.452 -0.972) 7.947 11.320 ( -11.702 -2.680 -0.129) 12.006 11.550 ( -2.238 2.129 0.302) 3.104 11.682 ( 0.396 -3.624 1.394) 3.903 12.321 ( 11.429 1.620 0.493) 11.553 12.387 ( 10.271 -1.223 0.099) 10.344 13.008 ( -1.152 0.753 -1.631) 2.134 13.062 ( 0.533 -1.985 -1.085) 2.325 13.595 ( 4.702 2.371 0.453) 5.285 13.685 ( 7.929 -2.168 -1.659) 8.386 13.945 ( -2.397 1.306 -2.570) 3.749 14.065 ( -2.278 -3.751 -0.414) 4.408 14.378 ( -2.905 2.346 -5.576) 6.710 14.442 ( -3.230 -0.542 -5.145) 6.099 15.247 ( -2.200 0.254 1.685) 2.783 15.289 ( -4.993 -0.668 -1.743) 5.331 15.461 ( 5.822 3.938 0.722) 7.066 15.590 ( 6.176 -1.818 1.344) 6.577 15.683 ( -1.421 -0.829 3.432) 3.806 15.780 ( -1.720 -1.773 -0.501) 2.520 16.028 ( 7.723 1.926 0.942) 8.015 16.164 ( 5.124 -4.501 2.996) 7.449 17.085 ( -2.281 1.485 1.082) 2.928 17.131 ( -1.656 -0.573 0.494) 1.821 19.258 ( 2.800 3.654 1.417) 4.817 19.407 ( 2.375 -3.114 1.163) 4.085 20.971 ( -3.068 1.274 -0.076) 3.323 21.031 ( -3.900 -1.262 -1.003) 4.220 21.487 ( 6.142 5.324 -1.418) 8.251 21.669 ( 6.539 -3.381 -0.755) 7.400 22.998 ( -6.096 4.279 -1.503) 7.598 23.112 ( -4.207 -1.376 0.557) 4.461 26.519 ( 11.946 1.689 0.061) 12.065 26.698 ( 23.530 -8.891 -2.987) 25.331 29.281 ( -21.694 5.260 -0.085) 22.323 29.479 ( -25.646 -2.825 -2.942) 25.968 30.659 ( 12.214 -1.366 4.616) 13.129 30.722 ( 12.615 -3.889 4.864) 14.069 31.211 ( 4.522 2.439 -0.123) 5.139 31.304 ( 4.703 -1.906 0.362) 5.087 31.525 ( -0.903 5.375 -0.048) 5.450 31.781 ( 3.877 -6.763 -1.582) 7.955 32.338 ( -12.011 1.676 1.025) 12.170 32.430 ( -12.215 -2.942 3.012) 12.921 32.886 ( 12.073 -0.013 2.451) 12.319 32.928 ( 13.129 -2.065 1.660) 13.394 33.970 ( -4.234 3.236 -0.363) 5.341 34.109 ( -4.776 -2.699 -2.210) 5.914 35.370 ( 0.606 7.017 0.617) 7.070 35.634 ( -3.385 0.471 3.568) 4.940 35.681 ( 4.714 1.861 -2.327) 5.577 35.957 ( 1.168 -2.411 -0.861) 2.814 36.242 ( 4.498 2.284 5.356) 7.358 36.433 ( 2.302 -1.965 0.908) 3.160 38.033 ( -11.425 7.465 -2.128) 13.813 38.361 ( -7.670 -8.062 -4.588) 12.036 ======================= Grid point 65 (33/88) ======================= q-point: ( 0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 2.235 0.357 7.754) 8.077 1.547 ( -4.490 -6.597 3.625) 8.765 1.808 ( 12.985 7.406 8.382) 17.139 1.895 ( 11.428 2.550 -4.718) 12.624 2.151 ( 0.039 1.064 7.182) 7.261 2.250 ( -1.097 1.083 3.850) 4.147 2.373 ( 5.514 2.460 6.314) 8.736 2.596 ( 4.263 -0.291 7.825) 8.915 2.740 ( 4.903 6.359 -1.728) 8.214 2.831 ( 5.299 5.225 -2.188) 7.757 3.068 ( 5.074 2.637 -0.017) 5.718 3.251 ( -5.231 7.850 2.723) 9.819 3.344 ( 2.039 0.388 -0.907) 2.266 3.509 ( 2.180 1.747 -1.328) 3.093 3.671 ( 4.586 -0.410 2.830) 5.405 3.837 ( 2.449 0.295 -2.009) 3.181 4.021 ( -0.786 5.852 2.263) 6.323 4.195 ( -2.333 -0.366 -0.915) 2.532 4.353 ( -2.166 3.431 -2.629) 4.835 4.457 ( -5.880 0.294 0.356) 5.898 4.540 ( 3.034 5.688 0.128) 6.448 4.648 ( -3.666 2.292 -6.468) 7.780 4.759 ( 2.430 -0.358 -2.448) 3.468 4.878 ( 1.309 -0.593 1.331) 1.959 4.962 ( -7.545 -5.313 -1.771) 9.396 5.108 ( -5.299 -4.164 2.112) 7.062 5.282 ( -0.508 1.910 -1.855) 2.710 5.333 ( -1.127 1.754 -1.102) 2.359 5.504 ( -2.528 7.261 4.529) 8.923 5.721 ( -1.476 -0.439 1.843) 2.402 5.980 ( -4.874 3.467 -1.407) 6.144 6.016 ( 0.988 2.361 -4.232) 4.945 6.242 ( -0.488 1.768 2.072) 2.768 6.294 ( -2.685 -1.248 4.078) 5.040 6.873 ( 5.044 2.869 -4.757) 7.503 6.981 ( 2.022 -1.287 -0.770) 2.517 7.250 ( -2.745 0.736 1.797) 3.362 7.345 ( -3.256 -2.990 -2.651) 5.155 7.673 ( -6.466 5.512 -0.210) 8.500 7.787 ( -2.958 1.447 1.279) 3.532 8.222 ( 4.449 -1.090 0.887) 4.666 8.364 ( 6.566 -7.331 -1.871) 10.018 8.976 ( -0.377 1.835 1.156) 2.201 9.153 ( -3.166 -1.954 0.287) 3.732 9.364 ( 1.634 -4.829 -0.424) 5.115 9.383 ( -1.113 -3.055 -0.288) 3.264 9.620 ( -0.058 -2.416 1.398) 2.792 9.702 ( 1.338 -4.938 -1.576) 5.353 10.067 ( 2.010 0.564 -0.576) 2.166 10.184 ( 3.130 -3.497 -1.509) 4.930 10.549 ( 1.042 2.349 -2.424) 3.533 10.660 ( 0.601 -4.379 0.633) 4.466 11.057 ( -12.520 -1.242 1.227) 12.641 11.105 ( -11.092 -2.865 0.169) 11.457 11.541 ( 0.623 2.896 -0.584) 3.019 11.668 ( -1.457 -2.273 0.412) 2.731 12.551 ( 10.496 1.340 -0.329) 10.586 12.601 ( 9.980 -0.929 0.334) 10.029 12.989 ( -0.461 1.380 -1.067) 1.805 13.083 ( 1.413 -3.501 -1.275) 3.985 13.689 ( 3.483 1.856 0.515) 3.980 13.776 ( 1.519 -2.233 -0.628) 2.773 13.923 ( -0.122 0.963 -0.294) 1.014 14.076 ( 3.825 -4.316 0.729) 5.814 14.296 ( -3.737 1.237 -6.572) 7.661 14.386 ( -2.407 -1.639 -4.556) 5.407 15.141 ( -7.104 1.061 -1.398) 7.318 15.204 ( -4.230 -0.884 -1.544) 4.588 15.569 ( 2.888 1.926 -0.148) 3.474 15.615 ( 1.845 2.136 1.080) 3.022 15.682 ( -1.056 -1.333 2.461) 2.992 15.827 ( 3.679 -4.535 2.529) 6.363 16.210 ( 9.474 -0.070 -0.921) 9.519 16.265 ( 5.850 -2.397 0.062) 6.322 17.018 ( -4.262 1.519 1.263) 4.698 17.071 ( -4.205 -0.908 0.457) 4.326 19.321 ( 3.268 3.369 1.463) 4.916 19.445 ( 1.288 -2.123 0.981) 2.670 20.917 ( -2.217 0.533 0.391) 2.314 20.966 ( -2.495 -1.409 -0.924) 3.010 21.644 ( 9.096 4.878 -1.316) 10.405 21.802 ( 6.350 -2.410 -0.604) 6.819 22.876 ( -5.642 4.115 -1.143) 7.076 22.997 ( -6.786 -1.575 0.814) 7.014 26.831 ( 18.513 4.322 0.362) 19.014 27.186 ( 23.758 -14.457 -5.507) 28.351 28.804 ( -24.979 4.520 -0.293) 25.387 28.975 ( -23.733 -2.864 -1.969) 23.986 30.882 ( 9.221 -0.652 3.137) 9.761 30.926 ( 7.814 -1.881 3.933) 8.948 31.337 ( 7.703 1.949 -0.092) 7.946 31.418 ( 5.293 -1.256 1.681) 5.693 31.541 ( 3.378 4.987 0.252) 6.029 31.818 ( -0.149 -7.444 0.753) 7.483 32.120 ( -9.973 1.265 -0.002) 10.053 32.199 ( -11.121 -2.601 3.523) 11.952 33.122 ( 11.576 0.395 1.244) 11.650 33.182 ( 12.388 -2.157 0.360) 12.580 33.853 ( -7.256 2.797 -0.157) 7.778 33.978 ( -7.999 -2.500 -1.720) 8.555 35.397 ( 1.901 6.453 -0.738) 6.768 35.589 ( -1.410 1.048 3.585) 3.992 35.783 ( 5.189 1.350 -3.094) 6.190 35.987 ( 1.756 -2.720 0.661) 3.304 36.350 ( 5.937 3.070 4.298) 7.946 36.461 ( -0.032 2.671 -1.831) 3.239 37.822 ( -8.089 5.679 1.062) 9.940 38.157 ( -11.905 -8.846 -4.222) 15.421 ======================= Grid point 66 (34/88) ======================= q-point: ( 0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -4.477 -5.081 5.607) 8.792 1.471 ( -1.039 -8.202 5.521) 9.941 1.908 ( 2.523 7.442 1.612) 8.022 2.096 ( -1.722 -3.778 1.544) 4.430 2.164 ( -4.479 6.007 7.835) 10.841 2.287 ( 13.375 4.816 -2.382) 14.414 2.440 ( 0.571 3.343 5.711) 6.643 2.699 ( 1.389 -1.077 -0.213) 1.771 2.832 ( 5.720 2.704 -4.526) 7.779 2.978 ( 7.227 -1.270 0.687) 7.370 3.033 ( -2.824 5.089 -3.116) 6.602 3.292 ( 2.462 9.348 3.221) 10.189 3.337 ( 1.470 2.751 -1.169) 3.331 3.453 ( -5.953 4.066 3.931) 8.211 3.834 ( 0.662 5.992 1.143) 6.136 3.877 ( 9.198 -1.631 -0.796) 9.375 4.052 ( 2.536 4.385 2.136) 5.498 4.127 ( -3.745 1.188 -0.554) 3.968 4.268 ( -4.469 0.491 0.585) 4.534 4.318 ( -5.752 0.340 3.614) 6.801 4.594 ( -0.637 -0.662 -1.515) 1.772 4.619 ( 0.133 -1.841 -3.314) 3.793 4.771 ( 0.426 1.735 -1.500) 2.333 4.828 ( 0.059 0.450 -3.127) 3.160 4.939 ( 2.693 0.268 1.569) 3.129 5.076 ( -0.794 -2.723 2.088) 3.522 5.247 ( -2.936 1.763 1.654) 3.803 5.333 ( -0.366 0.724 0.937) 1.239 5.494 ( 1.543 4.349 3.048) 5.531 5.662 ( -3.109 0.427 2.869) 4.252 5.932 ( 0.673 3.692 -3.424) 5.080 6.033 ( -0.522 1.741 -4.090) 4.476 6.184 ( -3.979 3.815 0.548) 5.539 6.265 ( -1.148 0.152 -1.298) 1.740 6.969 ( 1.627 1.600 -3.685) 4.334 7.009 ( 4.807 0.584 -4.122) 6.359 7.221 ( -2.285 0.673 4.016) 4.669 7.301 ( 0.174 -4.112 0.855) 4.204 7.543 ( -4.797 4.660 -0.880) 6.745 7.737 ( -2.704 -1.934 -0.775) 3.414 8.301 ( 2.820 0.365 0.334) 2.863 8.466 ( 3.246 -7.330 -1.097) 8.091 8.940 ( -2.677 2.647 1.522) 4.061 9.110 ( -1.138 -3.312 -1.331) 3.746 9.355 ( -0.626 -2.495 -1.178) 2.829 9.417 ( 1.806 -5.028 0.451) 5.361 9.648 ( 2.844 -2.647 1.843) 4.300 9.688 ( -2.131 -3.655 -0.004) 4.231 10.155 ( 6.734 0.361 -0.143) 6.745 10.246 ( 2.843 -3.085 0.114) 4.197 10.526 ( -2.994 2.949 -3.463) 5.446 10.652 ( -2.044 -3.345 -0.229) 3.926 10.869 ( -6.862 -1.079 0.905) 7.005 10.935 ( -3.684 -3.699 1.734) 5.501 11.556 ( 0.599 2.277 -0.766) 2.476 11.641 ( -1.173 -1.146 -0.026) 1.640 12.698 ( 4.135 1.678 -0.956) 4.564 12.738 ( 3.610 -0.016 0.443) 3.637 12.990 ( 0.343 1.764 -0.647) 1.910 13.110 ( 1.057 -3.884 -0.945) 4.135 13.725 ( 1.443 -0.931 -0.535) 1.799 13.764 ( -1.791 -2.806 -0.949) 3.461 13.983 ( 3.539 4.661 2.289) 6.284 14.071 ( -3.224 1.755 1.792) 4.085 14.268 ( -0.144 -0.944 -4.335) 4.439 14.402 ( 4.877 -5.981 -6.122) 9.851 15.007 ( -5.818 1.832 -3.144) 6.862 15.120 ( -2.921 -2.371 0.541) 3.801 15.611 ( 1.478 0.783 -0.329) 1.704 15.642 ( 0.541 -0.832 -0.680) 1.203 15.698 ( 2.667 1.572 2.369) 3.898 15.840 ( -2.300 -4.659 2.504) 5.768 16.337 ( 3.550 0.896 -2.103) 4.222 16.398 ( 5.232 -2.250 -0.152) 5.697 16.937 ( -3.418 1.470 0.938) 3.837 16.988 ( -3.433 -1.008 -0.065) 3.579 19.375 ( 1.738 2.502 1.258) 3.295 19.455 ( -0.367 -1.014 0.572) 1.221 20.886 ( -0.994 0.578 0.410) 1.220 20.935 ( -0.537 -1.576 -0.460) 1.727 21.806 ( 6.357 3.232 -1.081) 7.213 21.890 ( 1.915 -0.624 0.069) 2.016 22.799 ( -1.435 2.941 -0.408) 3.298 22.878 ( -4.616 -0.668 0.596) 4.702 27.168 ( 12.396 5.612 1.048) 13.648 27.543 ( 10.169 -12.495 -4.765) 16.800 28.387 ( -14.146 4.659 -0.014) 14.893 28.612 ( -10.366 -5.339 -4.125) 12.368 31.007 ( 3.162 -0.991 2.860) 4.377 31.036 ( 2.992 -2.013 3.432) 4.978 31.458 ( 1.187 1.593 2.502) 3.194 31.484 ( 4.283 0.572 -0.319) 4.333 31.658 ( 5.903 1.217 0.845) 6.086 31.799 ( -1.204 -4.112 2.631) 5.028 31.960 ( -5.280 1.079 -0.333) 5.399 32.016 ( -6.584 -1.920 3.636) 7.762 33.322 ( 7.455 0.665 0.463) 7.499 33.394 ( 7.931 -2.222 -0.766) 8.272 33.710 ( -6.021 2.306 0.111) 6.448 33.820 ( -6.587 -2.249 -1.106) 7.048 35.435 ( 1.827 5.686 -1.438) 6.143 35.569 ( -1.065 1.755 3.265) 3.857 35.874 ( 4.138 0.942 -1.601) 4.536 36.019 ( 1.203 -3.081 1.481) 3.624 36.411 ( -4.135 8.345 -3.453) 9.933 36.472 ( 5.190 2.537 2.951) 6.487 37.738 ( -1.769 0.150 0.462) 1.834 37.946 ( -6.952 -8.366 -2.906) 11.259 ======================= Grid point 67 (35/88) ======================= q-point: (-0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -5.791 -3.565 2.583) 7.274 1.470 ( -0.418 -8.842 5.278) 10.307 1.953 ( -0.980 5.577 1.354) 5.822 1.993 ( -6.020 -0.356 2.590) 6.564 2.060 ( -2.724 4.518 2.665) 5.911 2.419 ( 1.340 7.758 5.399) 9.546 2.492 ( -1.095 -5.970 2.482) 6.557 2.601 ( -6.829 3.719 -10.195) 12.822 2.839 ( -4.716 6.098 4.276) 8.815 3.019 ( -3.753 1.490 -1.815) 4.427 3.093 ( 2.954 1.249 2.172) 3.874 3.227 ( 0.497 -0.181 -1.329) 1.431 3.381 ( 1.334 7.685 10.869) 13.378 3.468 ( 3.157 6.914 -3.066) 8.196 3.837 ( -1.209 2.574 0.989) 3.011 3.922 ( -2.499 -0.297 -1.726) 3.052 4.054 ( -1.306 -1.659 2.462) 3.243 4.087 ( -6.120 -0.826 1.407) 6.334 4.219 ( 5.668 5.914 -1.164) 8.274 4.346 ( 5.740 -1.295 1.353) 6.038 4.564 ( -1.289 0.808 1.412) 2.076 4.664 ( 4.451 -1.449 -2.486) 5.300 4.786 ( -1.136 5.164 -2.311) 5.771 4.861 ( 2.787 -2.171 -0.685) 3.599 5.003 ( 2.212 2.225 0.422) 3.165 5.046 ( -1.465 3.933 0.591) 4.238 5.218 ( 1.912 0.203 -0.202) 1.933 5.287 ( -4.076 0.031 1.738) 4.432 5.554 ( 3.968 1.933 2.071) 4.876 5.638 ( 0.417 0.711 4.223) 4.303 5.958 ( -0.717 2.884 -2.457) 3.856 6.013 ( 1.988 0.902 -3.225) 3.895 6.134 ( -0.866 4.043 -1.604) 4.435 6.235 ( -1.772 -0.365 -1.998) 2.695 6.984 ( 1.434 3.636 -4.285) 5.800 7.083 ( -1.289 2.871 -2.150) 3.811 7.202 ( 3.183 -0.251 0.344) 3.212 7.329 ( 1.666 -4.251 5.617) 7.239 7.526 ( 3.434 2.090 -0.972) 4.136 7.691 ( -1.423 -2.535 -2.569) 3.879 8.308 ( -2.525 0.385 0.373) 2.582 8.473 ( -2.649 -7.903 -0.762) 8.369 8.909 ( 0.115 2.696 0.434) 2.733 9.096 ( -0.517 -3.412 -1.439) 3.739 9.337 ( -0.892 -2.035 -1.613) 2.746 9.437 ( 0.368 -5.347 0.804) 5.420 9.642 ( -1.639 0.182 1.674) 2.350 9.735 ( 4.794 -5.178 1.504) 7.215 10.205 ( -3.380 0.544 1.673) 3.811 10.315 ( 2.452 -4.894 2.568) 6.047 10.483 ( -0.163 1.582 -4.018) 4.322 10.584 ( -2.692 -2.789 -3.915) 5.510 10.832 ( 4.375 1.997 1.047) 4.921 10.974 ( 6.171 -4.587 1.666) 7.867 11.555 ( -0.677 1.722 -0.715) 1.983 11.622 ( -0.669 -0.824 -0.599) 1.219 12.713 ( -2.556 1.654 -0.645) 3.112 12.743 ( -3.374 0.139 0.789) 3.468 12.984 ( -0.802 1.696 -0.884) 2.074 13.106 ( -1.395 -3.906 -1.031) 4.273 13.735 ( -0.939 -0.659 -0.447) 1.231 13.776 ( 3.091 -2.583 -0.635) 4.078 13.926 ( -4.761 3.995 0.283) 6.221 14.062 ( -2.414 -1.601 1.224) 3.144 14.323 ( 6.252 1.482 -2.169) 6.781 14.473 ( 2.026 -4.245 -4.223) 6.321 14.943 ( 0.278 3.657 -3.311) 4.941 15.133 ( 3.868 -4.804 -0.310) 6.175 15.607 ( -1.321 0.743 -0.429) 1.575 15.645 ( -0.808 -0.578 -0.590) 1.155 15.768 ( -0.896 -2.257 3.603) 4.345 15.784 ( 2.228 -1.098 1.390) 2.846 16.321 ( -5.606 0.930 -2.122) 6.066 16.401 ( -5.285 -2.725 -0.290) 5.953 16.918 ( 1.875 1.442 0.323) 2.387 16.969 ( 1.696 -1.091 -0.546) 2.089 19.376 ( -1.903 1.913 1.446) 3.061 19.437 ( -1.329 -0.732 -0.017) 1.517 20.882 ( 0.738 1.128 0.281) 1.377 20.946 ( 1.627 -1.705 -0.044) 2.357 21.827 ( -4.874 2.913 -0.625) 5.712 21.896 ( -0.772 -0.104 0.333) 0.847 22.825 ( 2.657 1.692 0.327) 3.167 22.852 ( 3.470 0.454 -0.264) 3.509 27.171 ( -12.110 4.948 1.322) 13.149 27.491 ( -14.116 -10.325 -6.091) 18.519 28.393 ( 14.987 5.472 0.104) 15.955 28.659 ( 14.096 -6.907 -3.087) 15.997 31.002 ( -4.013 -0.735 2.773) 4.933 31.038 ( -2.881 -2.045 3.667) 5.092 31.436 ( -3.299 1.720 1.325) 3.949 31.510 ( -2.501 -1.328 0.407) 2.860 31.684 ( -3.022 0.707 1.829) 3.603 31.752 ( -2.481 -2.939 1.328) 4.069 31.973 ( 5.848 1.531 0.948) 6.119 32.023 ( 6.890 -1.287 3.152) 7.686 33.326 ( -7.244 0.909 0.353) 7.310 33.403 ( -7.369 -2.306 -0.344) 7.729 33.702 ( 5.593 2.437 -0.101) 6.102 33.817 ( 6.452 -2.387 -1.205) 6.985 35.465 ( 1.255 5.099 -1.362) 5.425 35.545 ( -1.712 3.086 3.143) 4.726 35.941 ( 2.579 0.641 0.862) 2.794 36.026 ( -0.792 -2.956 0.607) 3.120 36.307 ( -5.288 8.079 -1.913) 9.843 36.540 ( 0.614 -0.910 1.006) 1.489 37.691 ( -0.895 2.721 -1.312) 3.151 37.971 ( 8.039 -8.843 -1.743) 12.077 ======================= Grid point 68 (36/88) ======================= q-point: (-0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.842 3.469 3.261) 7.536 1.472 ( 0.745 -5.073 3.359) 6.130 1.775 ( -8.609 7.355 4.064) 12.030 2.006 ( -0.626 -4.697 3.743) 6.039 2.064 ( 0.170 2.284 0.400) 2.325 2.309 ( -8.017 4.992 0.948) 9.492 2.393 ( -13.695 2.496 5.560) 14.990 2.494 ( 2.283 -5.016 2.644) 6.113 2.759 ( -3.550 7.288 4.497) 9.270 2.944 ( -0.030 2.404 -0.414) 2.440 3.099 ( -4.650 4.221 6.675) 9.165 3.264 ( 1.715 1.653 5.261) 5.775 3.424 ( -1.568 3.852 1.623) 4.464 3.465 ( 0.328 4.400 -5.222) 6.836 3.782 ( -5.997 3.122 3.354) 7.547 3.821 ( -4.505 2.966 2.111) 5.792 3.974 ( -0.281 -2.254 -0.956) 2.464 4.146 ( 4.695 -1.221 0.532) 4.880 4.311 ( 1.706 4.174 -6.019) 7.520 4.404 ( 0.504 -3.441 -3.960) 5.270 4.578 ( 1.615 2.664 3.034) 4.348 4.716 ( -0.067 2.672 -2.615) 3.739 4.746 ( -0.207 2.243 -1.564) 2.743 4.931 ( 3.420 -1.904 -1.697) 4.266 4.989 ( 0.418 4.567 -2.782) 5.364 5.087 ( 3.132 4.637 -3.539) 6.621 5.197 ( -3.104 -1.095 3.826) 5.047 5.310 ( 4.447 0.409 -1.772) 4.805 5.635 ( 3.401 2.221 4.254) 5.882 5.709 ( 7.402 0.530 2.218) 7.745 5.962 ( 3.026 3.086 0.048) 4.323 6.071 ( 2.433 0.289 -1.460) 2.852 6.137 ( 0.736 0.664 -0.801) 1.274 6.200 ( -1.128 0.043 0.058) 1.131 6.956 ( -5.999 6.388 -1.165) 8.841 7.047 ( 0.109 3.460 -2.483) 4.260 7.279 ( 3.273 -1.790 1.184) 3.914 7.370 ( 2.033 -4.747 0.490) 5.187 7.654 ( 8.505 1.081 0.534) 8.590 7.706 ( 3.898 0.363 -1.250) 4.110 8.203 ( -7.777 0.207 0.089) 7.780 8.379 ( -6.042 -8.385 -1.220) 10.407 8.933 ( 1.286 2.040 -0.228) 2.423 9.089 ( 0.343 -1.093 -0.801) 1.398 9.341 ( 1.581 -4.209 -1.774) 4.834 9.440 ( 0.074 -6.421 1.585) 6.614 9.623 ( -0.346 1.835 1.500) 2.395 9.807 ( 1.726 -6.996 1.546) 7.369 10.117 ( -4.549 2.137 0.958) 5.117 10.248 ( -6.426 -4.165 0.352) 7.666 10.525 ( 3.144 -0.995 -3.533) 4.833 10.563 ( -0.599 -2.181 -1.547) 2.740 11.028 ( 13.907 1.727 0.450) 14.021 11.145 ( 10.257 -3.742 0.611) 10.935 11.536 ( -0.669 1.418 -0.380) 1.613 11.615 ( 0.010 -1.546 -1.123) 1.911 12.591 ( -10.397 0.518 0.829) 10.443 12.601 ( -9.740 -0.089 0.515) 9.754 12.982 ( 0.941 0.968 -1.415) 1.956 13.070 ( -1.898 -3.354 -1.726) 4.223 13.674 ( -5.541 2.665 -0.403) 6.162 13.806 ( -1.786 -3.328 0.282) 3.788 13.916 ( 2.686 -0.771 -0.164) 2.799 13.968 ( -3.091 -3.011 -2.332) 4.905 14.457 ( 6.194 2.025 -1.192) 6.625 14.513 ( 2.366 0.100 -3.127) 3.923 15.003 ( 4.927 4.545 -2.356) 7.105 15.215 ( 3.251 -4.499 -2.475) 6.078 15.571 ( -2.579 -0.097 -0.419) 2.615 15.618 ( -0.722 -2.625 -0.043) 2.723 15.738 ( -0.458 2.063 4.030) 4.551 15.865 ( 3.472 -3.571 5.164) 7.175 16.137 ( -11.588 0.698 -2.775) 11.936 16.223 ( -11.436 -3.189 -1.599) 11.980 16.986 ( 4.070 1.223 0.308) 4.261 17.032 ( 4.015 -0.925 -0.572) 4.160 19.314 ( -3.950 2.300 1.555) 4.828 19.402 ( -2.176 -1.604 -0.248) 2.714 20.919 ( 3.035 1.684 0.351) 3.488 20.993 ( 2.980 -1.633 0.172) 3.402 21.682 ( -8.625 4.720 -0.391) 9.840 21.827 ( -6.026 -1.989 -0.019) 6.346 22.900 ( 5.289 3.089 -0.894) 6.190 22.979 ( 7.589 -0.788 0.296) 7.636 26.840 ( -18.376 3.241 0.960) 18.685 27.094 ( -23.733 -9.758 -7.523) 26.740 28.832 ( 26.222 5.316 0.212) 26.756 29.045 ( 23.359 -4.971 -0.749) 23.894 30.856 ( -10.633 0.604 2.356) 10.908 30.929 ( -8.558 -2.870 4.595) 10.128 31.334 ( -6.315 1.242 0.158) 6.438 31.414 ( -6.144 -2.064 0.631) 6.512 31.613 ( -3.038 2.513 2.951) 4.925 31.740 ( -0.038 -4.134 -1.222) 4.311 32.143 ( 10.446 1.183 1.339) 10.598 32.198 ( 9.814 -1.547 2.635) 10.279 33.123 ( -12.191 1.039 0.945) 12.271 33.197 ( -11.942 -2.191 0.932) 12.178 33.844 ( 7.366 2.846 -0.359) 7.905 33.974 ( 8.093 -2.693 -1.855) 8.728 35.476 ( -0.932 5.610 1.224) 5.817 35.513 ( -0.647 4.474 0.927) 4.615 35.953 ( -2.362 1.075 2.472) 3.584 36.007 ( -0.011 -4.207 -1.518) 4.473 36.222 ( -3.560 3.655 2.887) 5.863 36.486 ( -5.284 -5.481 -0.960) 7.673 37.781 ( 10.044 9.244 -0.637) 13.665 38.171 ( 11.074 -8.920 -3.315) 14.601 ======================= Grid point 69 (37/88) ======================= q-point: (-0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.538 13.042 15.524) 20.282 1.434 ( -5.540 9.499 4.327) 11.817 1.723 ( 1.958 -0.816 1.853) 2.816 1.929 ( -12.210 4.746 6.373) 14.568 1.999 ( -0.159 -5.066 5.569) 7.529 2.081 ( -4.773 -1.236 10.342) 11.457 2.383 ( 4.396 5.529 2.819) 7.606 2.551 ( 2.137 -5.458 -0.754) 5.909 2.717 ( -1.082 5.102 3.109) 6.072 2.872 ( -7.938 0.762 5.158) 9.497 3.019 ( -2.503 5.948 -0.061) 6.453 3.229 ( -6.409 1.673 4.122) 7.802 3.318 ( -5.817 4.704 -1.511) 7.632 3.500 ( -1.163 1.116 -4.046) 4.356 3.665 ( 2.966 4.146 4.581) 6.854 3.857 ( 3.316 0.987 -2.400) 4.211 3.992 ( 1.176 -1.319 1.754) 2.490 4.132 ( -4.774 -0.073 -2.633) 5.452 4.353 ( 4.355 3.278 -3.531) 6.494 4.421 ( 0.848 -1.789 -6.210) 6.518 4.576 ( -1.076 1.345 -1.675) 2.403 4.685 ( -3.414 -0.400 0.872) 3.546 4.785 ( 3.520 4.033 0.302) 5.362 4.937 ( -1.816 -2.608 -2.173) 3.850 5.037 ( 3.568 5.902 -4.943) 8.485 5.152 ( 3.344 6.181 -3.756) 7.968 5.213 ( 3.458 0.815 2.164) 4.160 5.361 ( 1.502 0.689 -2.716) 3.179 5.679 ( 0.574 4.909 4.109) 6.427 5.879 ( 7.556 -1.461 0.896) 7.748 6.049 ( 3.623 0.124 0.329) 3.640 6.102 ( 0.681 -1.530 4.025) 4.359 6.145 ( 1.491 0.767 1.009) 1.957 6.226 ( 3.128 -0.677 0.972) 3.344 6.825 ( -5.921 5.378 -1.117) 8.076 6.990 ( -6.033 -0.364 0.725) 6.087 7.355 ( 3.180 2.307 -2.514) 4.664 7.413 ( 4.062 0.607 -3.167) 5.186 7.786 ( 3.926 0.373 1.531) 4.230 7.856 ( 8.848 -1.754 2.851) 9.460 8.040 ( -6.652 1.000 -1.444) 6.880 8.263 ( -5.085 -8.162 -1.096) 9.679 8.932 ( -0.976 1.255 -0.540) 1.679 9.123 ( 2.673 -2.361 0.043) 3.566 9.378 ( 1.546 -5.114 -1.386) 5.519 9.454 ( 1.607 -6.134 1.183) 6.451 9.630 ( 0.786 1.845 0.389) 2.043 9.797 ( -2.573 -4.817 0.762) 5.514 10.018 ( -5.110 0.786 -0.677) 5.215 10.161 ( -2.176 -4.348 -0.089) 4.863 10.532 ( -1.387 -0.578 -0.468) 1.574 10.579 ( 1.479 -2.594 -1.898) 3.539 11.296 ( 10.081 -0.738 -1.521) 10.221 11.324 ( 7.708 -1.848 -0.097) 7.927 11.559 ( 3.342 0.180 0.718) 3.423 11.623 ( 1.133 -2.314 0.198) 2.584 12.348 ( -12.310 0.930 1.301) 12.414 12.396 ( -10.403 -1.628 0.284) 10.533 13.012 ( 1.661 0.301 -1.724) 2.413 13.041 ( -0.398 -1.147 -1.769) 2.145 13.566 ( -4.367 2.182 -1.144) 5.014 13.671 ( -8.522 -3.454 -1.498) 9.317 13.967 ( 3.239 0.410 -1.673) 3.668 14.023 ( 4.373 -1.922 -0.260) 4.784 14.516 ( -2.525 3.142 -5.057) 6.467 14.540 ( 1.682 1.312 -3.381) 3.998 15.100 ( 5.025 3.445 0.740) 6.138 15.258 ( 1.835 -3.042 -0.577) 3.599 15.506 ( -3.612 1.578 0.088) 3.943 15.597 ( -3.541 -2.980 0.610) 4.668 15.746 ( 0.677 0.935 4.659) 4.799 15.913 ( -0.802 -5.300 3.949) 6.658 15.944 ( -4.576 1.447 -0.630) 4.841 16.018 ( -6.457 -1.954 -1.069) 6.831 17.057 ( 2.957 1.364 0.385) 3.279 17.104 ( 2.941 -0.668 -0.213) 3.023 19.244 ( -2.716 2.987 1.358) 4.260 19.363 ( -1.319 -2.409 0.086) 2.748 20.989 ( 3.381 1.758 0.295) 3.822 21.055 ( 3.052 -1.280 0.057) 3.310 21.524 ( -6.709 4.936 -0.533) 8.346 21.682 ( -7.736 -2.874 -0.783) 8.289 23.013 ( 5.638 3.720 -1.130) 6.848 23.108 ( 4.725 -1.292 -0.024) 4.899 26.526 ( -12.401 1.004 0.447) 12.450 26.627 ( -20.787 -4.507 -4.193) 21.680 29.322 ( 21.209 5.498 0.128) 21.910 29.534 ( 24.921 -3.905 -1.912) 25.297 30.610 ( -13.273 0.013 3.102) 13.631 30.714 ( -12.859 -5.185 5.802) 15.030 31.223 ( -4.460 1.516 0.232) 4.717 31.303 ( -4.448 -2.069 0.311) 4.916 31.579 ( -0.736 2.935 1.632) 3.438 31.716 ( -2.110 -3.064 -2.851) 4.687 32.367 ( 12.017 0.489 2.273) 12.240 32.404 ( 11.036 -1.242 1.652) 11.228 32.870 ( -13.266 1.298 1.701) 13.438 32.959 ( -12.246 -2.761 2.516) 12.803 33.964 ( 4.496 3.242 -0.487) 5.564 34.105 ( 4.978 -2.796 -2.287) 6.151 35.427 ( -3.101 7.237 3.085) 8.456 35.533 ( 2.083 4.402 -1.249) 5.027 35.880 ( -5.021 -1.927 2.915) 6.117 35.990 ( -2.394 -5.530 -2.105) 6.384 36.163 ( -1.876 2.723 5.942) 6.800 36.397 ( -2.428 -4.965 0.155) 5.529 38.029 ( 12.822 8.312 -2.630) 15.505 38.361 ( 7.525 -7.704 -4.363) 11.620 ======================= Grid point 70 (38/88) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.554 -12.011 8.537) 14.818 1.418 ( 1.554 12.011 8.537) 14.818 1.725 ( -3.746 -10.912 8.693) 14.445 1.725 ( -3.746 10.912 8.693) 14.445 2.051 ( 3.710 -4.845 10.642) 12.267 2.051 ( 3.710 4.845 10.642) 12.267 2.510 ( 1.267 -5.646 -3.518) 6.771 2.510 ( 1.267 5.646 -3.518) 6.771 2.725 ( -3.227 -4.265 0.550) 5.376 2.725 ( -3.227 4.265 0.550) 5.376 3.117 ( 1.343 -5.327 4.226) 6.931 3.117 ( 1.343 5.327 4.226) 6.931 3.391 ( -2.936 -13.039 -6.090) 14.688 3.391 ( -2.936 13.039 -6.090) 14.688 3.814 ( -2.005 -8.963 3.974) 10.008 3.814 ( -2.005 8.963 3.974) 10.008 4.062 ( 3.741 -1.657 -1.150) 4.250 4.062 ( 3.741 1.657 -1.150) 4.250 4.414 ( -0.367 -2.684 -3.942) 4.783 4.414 ( -0.367 2.684 -3.942) 4.783 4.634 ( 1.249 -2.209 2.727) 3.725 4.634 ( 1.249 2.209 2.727) 3.725 4.858 ( -0.634 -4.127 -2.555) 4.896 4.858 ( -0.634 4.127 -2.555) 4.896 5.181 ( -0.453 -3.907 -1.490) 4.206 5.181 ( -0.453 3.907 -1.490) 4.206 5.388 ( 2.775 -5.812 -4.442) 7.824 5.388 ( 2.775 5.812 -4.442) 7.824 5.787 ( -4.212 -7.736 3.255) 9.390 5.787 ( -4.212 7.736 3.255) 9.390 6.080 ( 0.586 -3.275 0.867) 3.438 6.080 ( 0.586 3.275 0.867) 3.438 6.242 ( 1.634 -1.998 2.908) 3.888 6.242 ( 1.634 1.998 2.908) 3.888 6.840 ( -1.528 -3.475 -0.762) 3.872 6.840 ( -1.528 3.475 -0.762) 3.872 7.468 ( -0.209 -2.775 -5.334) 6.017 7.468 ( -0.209 2.775 -5.334) 6.017 7.827 ( -0.657 -4.863 1.869) 5.251 7.827 ( -0.657 4.863 1.869) 5.251 8.096 ( 1.698 -4.190 1.822) 4.874 8.096 ( 1.698 4.190 1.822) 4.874 9.013 ( 0.877 -7.922 -1.472) 8.105 9.013 ( 0.877 7.922 -1.472) 8.105 9.401 ( 0.597 -3.187 0.950) 3.378 9.401 ( 0.597 3.187 0.950) 3.378 9.673 ( -2.155 -2.116 -1.554) 3.396 9.673 ( -2.155 2.116 -1.554) 3.396 10.013 ( -0.386 -5.104 0.394) 5.134 10.013 ( -0.386 5.104 0.394) 5.134 10.545 ( 0.536 -2.167 -0.567) 2.303 10.545 ( 0.536 2.167 -0.567) 2.303 11.377 ( 0.251 -1.832 -1.093) 2.148 11.377 ( 0.251 1.832 -1.093) 2.148 11.623 ( 0.304 -1.686 0.996) 1.981 11.623 ( 0.304 1.686 0.996) 1.981 12.237 ( -0.290 -1.996 0.534) 2.086 12.237 ( -0.290 1.996 0.534) 2.086 13.040 ( 0.181 -0.793 -1.704) 1.888 13.040 ( 0.181 0.793 -1.704) 1.888 13.562 ( 1.136 -1.039 -1.759) 2.338 13.562 ( 1.136 1.039 -1.759) 2.338 14.034 ( 0.043 -2.268 -1.118) 2.529 14.034 ( 0.043 2.268 -1.118) 2.529 14.496 ( -4.066 -2.136 -6.049) 7.595 14.496 ( -4.066 2.136 -6.049) 7.595 15.253 ( 3.821 -2.431 4.969) 6.723 15.253 ( 3.821 2.431 4.969) 6.723 15.485 ( -1.984 -1.721 -1.433) 2.992 15.485 ( -1.984 1.721 -1.433) 2.992 15.777 ( -2.556 -3.214 -0.127) 4.108 15.777 ( -2.556 3.214 -0.127) 4.108 15.979 ( 3.654 -3.176 3.190) 5.798 15.979 ( 3.654 3.176 3.190) 5.798 17.125 ( 0.817 -1.097 0.439) 1.437 17.125 ( 0.817 1.097 0.439) 1.437 19.295 ( 0.878 -3.683 1.342) 4.017 19.295 ( 0.878 3.683 1.342) 4.017 21.056 ( -0.820 -1.807 -0.420) 2.029 21.056 ( -0.820 1.807 -0.420) 2.029 21.521 ( -0.693 -3.776 -0.484) 3.869 21.521 ( -0.693 3.776 -0.484) 3.869 23.127 ( -0.129 -1.796 -0.539) 1.879 23.127 ( -0.129 1.796 -0.539) 1.879 26.402 ( 0.412 -0.219 0.012) 0.467 26.402 ( 0.412 0.219 0.012) 0.467 29.707 ( -1.840 -8.268 -4.216) 9.462 29.707 ( -1.840 8.268 -4.216) 9.462 30.453 ( 1.407 -2.523 6.348) 6.975 30.453 ( 1.407 2.523 6.348) 6.975 31.217 ( -0.169 -2.158 -0.123) 2.168 31.217 ( -0.169 2.158 -0.123) 2.168 31.639 ( 0.103 -4.014 -0.721) 4.079 31.639 ( 0.103 4.014 -0.721) 4.079 32.574 ( 0.418 -1.155 0.615) 1.374 32.574 ( 0.418 1.155 0.615) 1.374 32.698 ( -0.911 -1.976 3.428) 4.060 32.698 ( -0.911 1.976 3.428) 4.060 34.087 ( 0.210 -3.899 -1.456) 4.167 34.087 ( 0.210 3.899 -1.456) 4.167 35.532 ( -1.260 -7.165 2.265) 7.619 35.532 ( -1.260 7.165 2.265) 7.619 35.824 ( -1.093 -7.588 -0.435) 7.679 35.824 ( -1.093 7.588 -0.435) 7.679 36.281 ( 1.767 -6.551 4.117) 7.936 36.281 ( 1.767 6.551 4.117) 7.936 38.294 ( 0.058 -6.943 -5.210) 8.680 38.294 ( 0.058 6.943 -5.210) 8.680 ======================= Grid point 72 (39/88) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.658 -8.689 8.005) 11.832 1.458 ( 0.658 8.689 8.005) 11.832 1.720 ( 4.526 -9.197 4.752) 11.298 1.720 ( 4.526 9.197 4.752) 11.298 2.113 ( 2.490 -4.499 9.192) 10.532 2.113 ( 2.490 4.499 9.192) 10.532 2.561 ( 0.667 -2.867 0.854) 3.065 2.561 ( 0.667 2.867 0.854) 3.065 2.691 ( 3.298 -6.124 1.323) 7.081 2.691 ( 3.298 6.124 1.323) 7.081 3.174 ( 2.003 -9.107 3.917) 10.115 3.174 ( 2.003 9.107 3.917) 10.115 3.407 ( 5.529 -12.827 -8.789) 16.504 3.407 ( 5.529 12.827 -8.789) 16.504 3.726 ( -4.946 -8.526 3.671) 10.518 3.726 ( -4.946 8.526 3.671) 10.518 4.159 ( 2.653 -4.619 0.894) 5.401 4.159 ( 2.653 4.619 0.894) 5.401 4.398 ( 1.110 -3.969 -1.875) 4.527 4.398 ( 1.110 3.969 -1.875) 4.527 4.662 ( 0.896 -2.327 1.095) 2.723 4.662 ( 0.896 2.327 1.095) 2.723 4.836 ( -1.710 -6.126 -4.465) 7.771 4.836 ( -1.710 6.126 -4.465) 7.771 5.112 ( -6.641 -8.159 1.096) 10.577 5.112 ( -6.641 8.159 1.096) 10.577 5.392 ( -2.500 -5.224 -4.739) 7.483 5.392 ( -2.500 5.224 -4.739) 7.483 5.694 ( -3.169 -4.108 2.398) 5.716 5.694 ( -3.169 4.108 2.398) 5.716 6.072 ( -1.565 -4.886 0.419) 5.147 6.072 ( -1.565 4.886 0.419) 5.147 6.262 ( 0.617 -2.415 3.383) 4.203 6.262 ( 0.617 2.415 3.383) 4.203 6.866 ( 3.250 -2.997 -1.958) 4.835 6.866 ( 3.250 2.997 -1.958) 4.835 7.390 ( -5.911 -2.251 -3.221) 7.098 7.390 ( -5.911 2.251 -3.221) 7.098 7.836 ( -0.274 -5.020 1.713) 5.312 7.836 ( -0.274 5.020 1.713) 5.312 8.134 ( 3.087 -3.279 0.679) 4.555 8.134 ( 3.087 3.279 0.679) 4.555 9.046 ( 2.042 -7.857 -1.262) 8.215 9.046 ( 2.042 7.857 -1.262) 8.215 9.372 ( -2.953 -2.981 1.512) 4.460 9.372 ( -2.953 2.981 1.512) 4.460 9.633 ( -1.267 -1.076 -1.311) 2.117 9.633 ( -1.267 1.076 -1.311) 2.117 10.046 ( 2.946 -3.723 -0.850) 4.823 10.046 ( 2.946 3.723 -0.850) 4.823 10.566 ( 1.491 -2.736 -0.452) 3.149 10.566 ( 1.491 2.736 -0.452) 3.149 11.287 ( -9.588 -0.445 -0.770) 9.629 11.287 ( -9.588 0.445 -0.770) 9.629 11.607 ( -0.342 -3.478 0.827) 3.591 11.607 ( -0.342 3.478 0.827) 3.591 12.356 ( 10.518 -1.765 0.373) 10.671 12.356 ( 10.518 1.765 0.373) 10.671 13.029 ( -0.670 -1.370 -1.482) 2.127 13.029 ( -0.670 1.370 -1.482) 2.127 13.642 ( 5.868 -2.209 -0.495) 6.290 13.642 ( 5.868 2.209 -0.495) 6.290 13.992 ( -3.083 -3.210 -1.595) 4.728 13.992 ( -3.083 3.210 -1.595) 4.728 14.420 ( -3.425 -1.668 -5.355) 6.572 14.420 ( -3.425 1.668 -5.355) 6.572 15.266 ( -3.129 -1.397 0.879) 3.538 15.266 ( -3.129 1.397 0.879) 3.538 15.535 ( 6.325 -3.209 1.197) 7.193 15.535 ( 6.325 3.209 1.197) 7.193 15.722 ( -2.553 -3.430 0.460) 4.300 15.722 ( -2.553 3.430 0.460) 4.300 16.083 ( 6.378 -3.451 1.939) 7.507 16.083 ( 6.378 3.451 1.939) 7.507 17.113 ( -2.090 -1.199 0.775) 2.531 17.113 ( -2.090 1.199 0.775) 2.531 19.335 ( 2.741 -3.897 1.669) 5.048 19.335 ( 2.741 3.897 1.669) 5.048 21.001 ( -3.724 -1.635 -0.592) 4.110 21.001 ( -3.724 1.635 -0.592) 4.110 21.588 ( 6.499 -4.637 -0.881) 8.032 21.588 ( 6.499 4.637 -0.881) 8.032 23.070 ( -5.136 -2.851 -0.377) 5.886 23.070 ( -5.136 2.851 -0.377) 5.886 26.574 ( 15.900 -4.073 -0.504) 16.421 26.574 ( 15.900 4.073 -0.504) 16.421 29.394 ( -23.849 -5.436 -2.303) 24.568 29.394 ( -23.849 5.436 -2.303) 24.568 30.661 ( 13.668 -1.728 4.291) 14.430 30.661 ( 13.668 1.728 4.291) 14.430 31.260 ( 4.508 -2.370 -0.028) 5.093 31.260 ( 4.508 2.370 -0.028) 5.093 31.648 ( 0.783 -6.563 -0.245) 6.614 31.648 ( 0.783 6.563 -0.245) 6.614 32.378 ( -12.046 -2.309 1.809) 12.398 32.378 ( -12.046 2.309 1.809) 12.398 32.896 ( 12.628 -1.070 1.636) 12.779 32.896 ( 12.628 1.070 1.636) 12.779 34.042 ( -4.539 -3.728 -1.293) 6.014 34.042 ( -4.539 3.728 -1.293) 6.014 35.518 ( -0.088 -7.318 1.210) 7.418 35.518 ( -0.088 7.318 1.210) 7.418 35.833 ( 1.741 -8.343 -0.176) 8.525 35.833 ( 1.741 8.343 -0.176) 8.525 36.343 ( 4.142 -6.041 3.812) 8.257 36.343 ( 4.142 6.041 3.812) 8.257 38.193 ( -9.257 -8.429 -4.495) 13.302 38.193 ( -9.257 8.429 -4.495) 13.302 ======================= Grid point 74 (40/88) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -3.786 -4.616 6.850) 9.087 1.423 ( -3.786 4.616 6.850) 9.087 1.897 ( 10.571 -2.049 1.396) 10.858 1.897 ( 10.571 2.049 1.396) 10.858 2.196 ( 4.694 -4.378 2.898) 7.043 2.196 ( 4.694 4.378 2.898) 7.043 2.516 ( -0.175 -7.166 6.675) 9.795 2.516 ( -0.175 7.166 6.675) 9.795 2.843 ( 6.384 -3.948 0.079) 7.507 2.843 ( 6.384 3.948 0.079) 7.507 3.191 ( 0.489 -8.922 2.391) 9.250 3.191 ( 0.489 8.922 2.391) 9.250 3.484 ( 0.181 -8.824 -1.722) 8.992 3.484 ( 0.181 8.824 -1.722) 8.992 3.736 ( 7.366 -8.606 -1.667) 11.450 3.736 ( 7.366 8.606 -1.667) 11.450 4.147 ( -2.428 -5.693 2.823) 6.803 4.147 ( -2.428 5.693 2.823) 6.803 4.422 ( -1.462 -3.890 -0.676) 4.210 4.422 ( -1.462 3.890 -0.676) 4.210 4.660 ( -2.971 -4.181 -1.518) 5.349 4.660 ( -2.971 4.181 -1.518) 5.349 4.790 ( -0.913 -5.065 -6.143) 8.014 4.790 ( -0.913 5.065 -6.143) 8.014 4.974 ( -4.324 -6.773 4.204) 9.069 4.974 ( -4.324 6.773 4.204) 9.069 5.337 ( -1.859 -1.961 -1.846) 3.272 5.337 ( -1.859 1.961 -1.846) 3.272 5.653 ( -2.384 -6.298 2.650) 7.237 5.653 ( -2.384 6.298 2.650) 7.237 6.037 ( -1.349 -1.503 -2.534) 3.240 6.037 ( -1.349 1.503 -2.534) 3.240 6.270 ( -0.322 -1.271 2.751) 3.047 6.270 ( -0.322 1.271 2.751) 3.047 6.936 ( 3.739 -3.061 -3.184) 5.787 6.936 ( 3.739 3.061 -3.184) 5.787 7.283 ( -4.234 -2.728 -0.306) 5.046 7.283 ( -4.234 2.728 -0.306) 5.046 7.771 ( -5.769 -3.409 0.778) 6.745 7.771 ( -5.769 3.409 0.778) 6.745 8.240 ( 6.626 -3.794 -0.363) 7.644 8.240 ( 6.626 3.794 -0.363) 7.644 9.062 ( -0.884 -6.086 -0.821) 6.204 9.062 ( -0.884 6.086 -0.821) 6.204 9.329 ( -0.719 -2.001 0.925) 2.319 9.329 ( -0.719 2.001 0.925) 2.319 9.624 ( 0.242 -2.458 0.131) 2.473 9.624 ( 0.242 2.458 0.131) 2.473 10.109 ( 3.488 -3.397 -1.367) 5.057 10.109 ( 3.488 3.397 -1.367) 5.057 10.594 ( 1.071 -2.432 -0.766) 2.765 10.594 ( 1.071 2.432 -0.766) 2.765 11.059 ( -11.923 -1.404 0.467) 12.014 11.059 ( -11.923 1.404 0.467) 12.014 11.607 ( -0.027 -3.485 -0.054) 3.485 11.607 ( -0.027 3.485 -0.054) 3.485 12.578 ( 10.562 -1.335 0.103) 10.646 12.578 ( 10.562 1.335 0.103) 10.646 13.025 ( 0.293 -2.277 -1.072) 2.534 13.025 ( 0.293 2.277 -1.072) 2.534 13.728 ( 1.466 -2.220 -0.414) 2.692 13.728 ( 1.466 2.220 -0.414) 2.692 13.982 ( 3.575 -4.386 0.180) 5.661 13.982 ( 3.575 4.386 0.180) 5.661 14.341 ( -4.235 -2.629 -4.921) 7.005 14.341 ( -4.235 2.629 -4.921) 7.005 15.175 ( -5.687 -1.928 -1.150) 6.115 15.175 ( -5.687 1.928 -1.150) 6.115 15.609 ( 0.536 -1.939 0.657) 2.117 15.609 ( 0.536 1.939 0.657) 2.117 15.727 ( 2.652 -4.836 1.945) 5.848 15.727 ( 2.652 4.836 1.945) 5.848 16.226 ( 7.931 -1.473 -0.254) 8.070 16.226 ( 7.931 1.473 -0.254) 8.070 17.048 ( -4.282 -1.372 0.763) 4.561 17.048 ( -4.282 1.372 0.763) 4.561 19.390 ( 2.436 -3.275 1.557) 4.369 19.390 ( 2.436 3.275 1.557) 4.369 20.937 ( -2.521 -1.323 -0.341) 2.867 20.937 ( -2.521 1.323 -0.341) 2.867 21.736 ( 7.827 -4.086 -0.879) 8.873 21.736 ( 7.827 4.086 -0.879) 8.873 22.950 ( -6.311 -3.126 -0.089) 7.043 22.950 ( -6.311 3.126 -0.089) 7.043 26.957 ( 21.244 -8.557 -1.126) 22.930 26.957 ( 21.244 8.557 -1.126) 22.930 28.898 ( -24.767 -4.584 -1.498) 25.232 28.898 ( -24.767 4.584 -1.498) 25.232 30.889 ( 8.717 -1.391 3.208) 9.392 30.889 ( 8.717 1.391 3.208) 9.392 31.379 ( 6.804 -2.197 0.549) 7.171 31.379 ( 6.804 2.197 0.549) 7.171 31.669 ( 1.453 -7.237 0.797) 7.425 31.669 ( 1.453 7.237 0.797) 7.425 32.155 ( -10.513 -1.978 1.611) 10.818 32.155 ( -10.513 1.978 1.611) 10.818 33.142 ( 12.042 -1.597 0.555) 12.160 33.142 ( 12.042 1.597 0.555) 12.160 33.917 ( -7.710 -3.367 -0.978) 8.470 33.917 ( -7.710 3.367 -0.978) 8.470 35.527 ( 0.780 -5.874 0.347) 5.936 35.527 ( 0.780 5.874 0.347) 5.936 35.880 ( 2.751 -6.704 0.536) 7.266 35.880 ( 2.751 6.704 0.536) 7.266 36.436 ( 4.745 -4.142 1.826) 6.558 36.436 ( 4.745 4.142 1.826) 6.558 37.973 ( -11.454 -8.925 -2.998) 14.827 37.973 ( -11.454 8.925 -2.998) 14.827 ======================= Grid point 76 (41/88) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -3.480 -2.857 6.233) 7.689 1.350 ( -3.480 2.857 6.233) 7.689 2.006 ( -0.323 -4.177 0.849) 4.274 2.006 ( -0.323 4.177 0.849) 4.274 2.286 ( 4.400 -4.627 1.754) 6.621 2.286 ( 4.400 4.627 1.754) 6.621 2.594 ( 3.332 -8.716 4.186) 10.227 2.594 ( 3.332 8.716 4.186) 10.227 2.903 ( 3.634 -4.291 -4.845) 7.422 2.903 ( 3.634 4.291 -4.845) 7.423 3.188 ( -2.447 -9.292 -0.111) 9.609 3.188 ( -2.447 9.292 -0.111) 9.609 3.493 ( 1.542 -4.985 6.516) 8.348 3.493 ( 1.542 4.985 6.516) 8.348 3.886 ( 5.081 -1.941 -2.562) 6.012 3.886 ( 5.081 1.941 -2.562) 6.012 4.102 ( -2.317 -2.061 2.725) 4.128 4.102 ( -2.317 2.061 2.725) 4.128 4.334 ( -5.203 -1.824 -1.404) 5.690 4.334 ( -5.203 1.824 -1.404) 5.690 4.567 ( -1.955 -1.974 -0.910) 2.924 4.567 ( -1.955 1.974 -0.910) 2.924 4.819 ( 1.798 -1.822 -2.428) 3.528 4.819 ( 1.798 1.822 -2.428) 3.528 4.981 ( 3.592 -4.292 2.618) 6.178 4.981 ( 3.592 4.292 2.618) 6.178 5.311 ( -1.649 -3.039 0.323) 3.472 5.311 ( -1.649 3.039 0.323) 3.472 5.603 ( -1.977 -5.463 3.362) 6.713 5.603 ( -1.977 5.463 3.362) 6.713 6.018 ( -0.675 -3.397 -3.299) 4.783 6.018 ( -0.675 3.397 -3.299) 4.783 6.247 ( -1.860 -2.038 -0.463) 2.798 6.247 ( -1.860 2.038 -0.463) 2.798 7.004 ( 3.243 -1.325 -4.024) 5.335 7.004 ( 3.243 1.325 -4.024) 5.335 7.237 ( -0.378 -1.881 2.687) 3.302 7.237 ( -0.378 1.881 2.687) 3.302 7.653 ( -5.183 -5.669 -1.254) 7.783 7.653 ( -5.183 5.669 -1.254) 7.783 8.345 ( 3.283 -4.300 -0.228) 5.415 8.345 ( 3.283 4.300 -0.228) 5.415 9.021 ( -2.473 -5.013 -0.850) 5.654 9.021 ( -2.473 5.013 -0.850) 5.654 9.341 ( 1.120 -1.919 -0.113) 2.225 9.341 ( 1.120 1.919 -0.113) 2.225 9.637 ( 0.964 -1.377 1.526) 2.270 9.637 ( 0.964 1.377 1.526) 2.270 10.186 ( 4.215 -2.577 0.173) 4.943 10.186 ( 4.215 2.577 0.173) 4.943 10.588 ( -2.249 -3.131 -2.542) 4.618 10.588 ( -2.249 3.131 -2.542) 4.618 10.876 ( -5.159 -1.842 1.576) 5.700 10.876 ( -5.159 1.842 1.576) 5.700 11.604 ( -0.270 -2.338 -0.372) 2.383 11.604 ( -0.270 2.338 -0.372) 2.383 12.728 ( 4.128 -1.101 -0.211) 4.277 12.728 ( 4.128 1.101 -0.211) 4.277 13.037 ( 0.730 -3.053 -0.632) 3.202 13.037 ( 0.730 3.053 -0.632) 3.202 13.724 ( -0.377 -0.998 -0.995) 1.459 13.724 ( -0.377 0.998 -0.995) 1.459 14.066 ( 1.304 -2.745 2.329) 3.829 14.066 ( 1.304 2.745 2.329) 3.829 14.292 ( 1.527 -3.945 -5.063) 6.598 14.292 ( 1.527 3.945 -5.063) 6.598 15.062 ( -4.707 -3.219 -1.132) 5.814 15.062 ( -4.707 3.219 -1.132) 5.814 15.625 ( 1.245 -0.795 -0.025) 1.478 15.625 ( 1.245 0.795 -0.025) 1.478 15.754 ( -0.110 -3.751 1.608) 4.083 15.754 ( -0.110 3.751 1.608) 4.083 16.361 ( 4.439 -1.512 -1.011) 4.797 16.361 ( 4.439 1.512 -1.011) 4.797 16.965 ( -3.436 -1.297 0.311) 3.686 16.965 ( -3.436 1.297 0.311) 3.686 19.423 ( 0.672 -2.126 1.164) 2.515 19.423 ( 0.672 2.126 1.164) 2.515 20.905 ( -0.716 -1.292 -0.034) 1.478 20.905 ( -0.716 1.292 -0.034) 1.478 21.862 ( 4.178 -2.154 -0.390) 4.717 21.862 ( 4.178 2.154 -0.390) 4.717 22.851 ( -3.080 -2.027 0.083) 3.688 22.851 ( -3.080 2.027 0.083) 3.688 27.319 ( 12.267 -9.471 -0.927) 15.526 27.319 ( 12.267 9.471 -0.927) 15.526 28.495 ( -13.005 -5.927 -1.773) 14.401 28.495 ( -13.005 5.927 -1.773) 14.401 31.005 ( 2.978 -0.883 3.107) 4.393 31.005 ( 2.978 0.883 3.107) 4.393 31.483 ( 2.694 -0.755 1.258) 3.068 31.483 ( 2.694 0.755 1.258) 3.068 31.710 ( 2.141 -4.020 1.207) 4.712 31.710 ( 2.141 4.020 1.207) 4.712 31.988 ( -5.400 -1.323 1.513) 5.761 31.988 ( -5.400 1.323 1.513) 5.761 33.349 ( 7.701 -1.994 -0.275) 7.960 33.349 ( 7.701 1.994 -0.275) 7.960 33.765 ( -6.314 -2.983 -0.578) 7.007 33.765 ( -6.314 2.983 -0.578) 7.007 35.542 ( 0.658 -4.216 0.155) 4.269 35.542 ( 0.658 4.216 0.155) 4.269 35.933 ( 2.292 -4.645 1.615) 5.425 35.933 ( 2.292 4.645 1.615) 5.425 36.504 ( 1.235 -0.764 -0.831) 1.673 36.504 ( 1.235 0.764 -0.831) 1.673 37.796 ( -5.199 -5.708 -1.747) 7.916 37.796 ( -5.199 5.708 -1.747) 7.916 ======================= Grid point 78 (42/88) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -1.488 -6.383 5.227) 8.383 1.303 ( -1.488 6.383 5.227) 8.383 1.962 ( -3.245 -0.692 0.494) 3.354 1.962 ( -3.245 0.692 0.494) 3.354 2.300 ( -2.524 -12.378 0.978) 12.670 2.300 ( -2.524 12.378 0.978) 12.671 2.577 ( -4.951 -5.888 0.584) 7.715 2.577 ( -4.951 5.888 0.584) 7.715 2.965 ( -1.126 -6.423 -1.702) 6.739 2.965 ( -1.126 6.423 -1.702) 6.739 3.147 ( 1.314 -5.868 1.867) 6.297 3.147 ( 1.314 5.868 1.867) 6.297 3.529 ( 1.110 -3.274 6.741) 7.576 3.529 ( 1.110 3.274 6.741) 7.576 3.901 ( -2.662 -2.837 -1.072) 4.035 3.901 ( -2.662 2.837 -1.073) 4.035 4.044 ( -2.085 -2.745 0.388) 3.468 4.044 ( -2.085 2.745 0.388) 3.468 4.314 ( 2.193 -2.947 -3.695) 5.210 4.314 ( 2.193 2.947 -3.695) 5.210 4.599 ( 3.744 -3.347 2.348) 5.544 4.599 ( 3.744 3.347 2.348) 5.544 4.851 ( 1.700 -0.813 -1.490) 2.403 4.851 ( 1.700 0.813 -1.490) 2.403 5.063 ( 3.477 -3.287 2.834) 5.561 5.063 ( 3.477 3.287 2.834) 5.561 5.250 ( -3.545 -3.797 -1.514) 5.410 5.250 ( -3.545 3.797 -1.514) 5.410 5.603 ( 1.817 -3.029 3.940) 5.291 5.603 ( 1.817 3.029 3.940) 5.291 6.009 ( 0.277 -1.902 -2.954) 3.525 6.009 ( 0.277 1.902 -2.954) 3.525 6.208 ( -1.834 -2.693 -1.838) 3.741 6.208 ( -1.834 2.693 -1.838) 3.741 7.065 ( 3.141 -3.761 -4.559) 6.693 7.065 ( 3.141 3.761 -4.559) 6.693 7.246 ( 0.073 -3.983 5.075) 6.451 7.246 ( 0.073 3.983 5.075) 6.452 7.603 ( 1.005 -5.150 -2.801) 5.948 7.603 ( 1.005 5.150 -2.801) 5.948 8.351 ( -2.856 -4.109 -0.134) 5.005 8.351 ( -2.856 4.109 -0.134) 5.005 8.993 ( 0.014 -5.580 -1.547) 5.790 8.993 ( 0.014 5.580 -1.547) 5.790 9.348 ( -0.495 -2.923 0.140) 2.968 9.348 ( -0.495 2.923 0.140) 2.968 9.662 ( 1.438 -2.064 2.194) 3.338 9.662 ( 1.438 2.064 2.194) 3.338 10.237 ( -0.468 -2.764 2.171) 3.546 10.237 ( -0.468 2.764 2.171) 3.546 10.526 ( -1.808 -2.686 -4.446) 5.500 10.526 ( -1.808 2.686 -4.446) 5.500 10.889 ( 5.852 -3.629 1.486) 7.044 10.889 ( 5.852 3.629 1.486) 7.044 11.594 ( -0.819 -1.896 -0.650) 2.165 11.594 ( -0.819 1.896 -0.650) 2.165 12.738 ( -3.143 -0.775 0.150) 3.241 12.738 ( -3.143 0.775 0.150) 3.241 13.032 ( -1.198 -3.173 -0.808) 3.487 13.032 ( -1.198 3.173 -0.808) 3.487 13.737 ( 1.609 -1.070 -0.692) 2.052 13.737 ( 1.609 1.070 -0.692) 2.052 14.007 ( -5.696 -3.694 -0.122) 6.790 14.007 ( -5.696 3.694 -0.122) 6.790 14.382 ( 5.981 -4.241 -1.858) 7.564 14.382 ( 5.981 4.241 -1.858) 7.564 15.031 ( 2.025 -5.008 -1.657) 5.651 15.031 ( 2.025 5.008 -1.657) 5.651 15.625 ( -1.766 -1.106 -0.438) 2.130 15.625 ( -1.766 1.106 -0.438) 2.130 15.761 ( 1.433 -0.961 1.995) 2.638 15.761 ( 1.433 0.961 1.995) 2.638 16.352 ( -5.703 -2.088 -1.190) 6.189 16.352 ( -5.703 2.088 -1.190) 6.189 16.946 ( 1.751 -1.240 -0.228) 2.158 16.946 ( 1.751 1.240 -0.228) 2.158 19.413 ( -1.755 -1.622 0.903) 2.555 19.413 ( -1.755 1.622 0.903) 2.555 20.911 ( 1.344 -1.687 0.172) 2.164 20.911 ( 1.344 1.687 0.172) 2.164 21.877 ( -2.802 -1.813 -0.010) 3.337 21.877 ( -2.802 1.813 -0.010) 3.337 22.850 ( 3.067 -0.705 0.023) 3.147 22.850 ( 3.067 0.705 0.023) 3.147 27.302 ( -13.398 -8.159 -1.329) 15.743 27.302 ( -13.398 8.159 -1.329) 15.743 28.518 ( 14.920 -6.871 -1.211) 16.471 28.518 ( 14.920 6.871 -1.211) 16.471 31.006 ( -3.199 -1.035 3.209) 4.648 31.006 ( -3.199 1.035 3.209) 4.648 31.475 ( -3.407 -1.995 0.902) 4.050 31.475 ( -3.407 1.995 0.902) 4.050 31.703 ( -2.380 -1.635 1.246) 3.145 31.703 ( -2.380 1.635 1.246) 3.145 32.003 ( 6.202 -1.177 1.794) 6.563 32.003 ( 6.202 1.177 1.794) 6.563 33.356 ( -7.187 -2.077 -0.085) 7.482 33.356 ( -7.187 2.077 -0.085) 7.482 33.760 ( 5.994 -3.109 -0.733) 6.792 33.760 ( 5.994 3.109 -0.733) 6.792 35.552 ( 0.329 -2.654 0.457) 2.713 35.552 ( 0.329 2.654 0.457) 2.713 35.964 ( 0.622 -2.516 2.746) 3.776 35.964 ( 0.622 2.516 2.746) 3.776 36.465 ( -4.838 -6.561 -2.208) 8.445 36.465 ( -4.838 6.561 -2.208) 8.445 37.798 ( 5.481 -7.632 -1.658) 9.541 37.798 ( 5.481 7.632 -1.658) 9.541 ======================= Grid point 80 (43/88) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 1.736 -10.086 4.973) 11.378 1.305 ( 1.736 10.086 4.973) 11.378 1.882 ( -4.483 -4.477 0.904) 6.400 1.882 ( -4.483 4.477 0.904) 6.400 2.259 ( -4.568 -11.471 0.447) 12.355 2.259 ( -4.568 11.471 0.447) 12.355 2.408 ( -6.777 -1.958 4.738) 8.498 2.408 ( -6.777 1.958 4.738) 8.498 2.900 ( -4.526 -6.196 2.815) 8.173 2.900 ( -4.526 6.196 2.815) 8.173 3.212 ( 2.981 -6.480 5.417) 8.956 3.212 ( 2.981 6.480 5.417) 8.956 3.500 ( -3.484 -1.966 -0.355) 4.016 3.500 ( -3.484 1.966 -0.355) 4.016 3.837 ( -4.318 -3.521 -1.562) 5.786 3.837 ( -4.318 3.521 -1.562) 5.786 4.047 ( 2.592 -8.516 2.059) 9.137 4.047 ( 2.592 8.516 2.059) 9.137 4.353 ( 1.431 -1.833 -5.908) 6.349 4.353 ( 1.431 1.833 -5.908) 6.349 4.654 ( 0.358 -4.730 1.771) 5.063 4.654 ( 0.358 4.730 1.771) 5.063 4.872 ( 0.435 -5.411 -0.261) 5.435 4.872 ( 0.435 5.411 -0.261) 5.435 5.086 ( 0.496 -4.732 0.718) 4.812 5.086 ( 0.496 4.732 0.718) 4.812 5.253 ( 3.565 -6.069 -3.327) 7.786 5.253 ( 3.565 6.069 -3.327) 7.786 5.681 ( 5.710 -2.634 3.238) 7.073 5.681 ( 5.710 2.634 3.238) 7.073 6.031 ( 1.821 -3.310 -0.619) 3.828 6.031 ( 1.821 3.310 -0.619) 3.828 6.181 ( -0.569 -2.287 -0.942) 2.538 6.181 ( -0.569 2.287 -0.942) 2.538 7.063 ( -4.497 -3.101 -1.067) 5.565 7.063 ( -4.497 3.101 -1.067) 5.565 7.282 ( 4.922 -3.099 0.104) 5.818 7.282 ( 4.922 3.099 0.104) 5.818 7.687 ( 6.591 -1.829 -0.754) 6.881 7.687 ( 6.591 1.829 -0.754) 6.881 8.245 ( -7.205 -4.413 -0.313) 8.455 8.245 ( -7.205 4.413 -0.313) 8.455 9.010 ( 1.152 -5.320 -1.944) 5.780 9.010 ( 1.152 5.320 -1.944) 5.780 9.335 ( -0.178 -3.371 0.952) 3.507 9.335 ( -0.178 3.371 0.952) 3.507 9.689 ( 0.950 -4.632 1.827) 5.069 9.689 ( 0.950 4.632 1.827) 5.069 10.170 ( -5.120 -3.288 0.528) 6.108 10.170 ( -5.120 3.288 0.528) 6.108 10.527 ( 0.979 -1.149 -2.569) 2.980 10.527 ( 0.979 1.149 -2.569) 2.980 11.075 ( 11.945 -2.993 0.573) 12.328 11.075 ( 11.945 2.993 0.573) 12.328 11.575 ( -0.808 -2.233 -0.829) 2.515 11.575 ( -0.808 2.233 -0.829) 2.515 12.599 ( -10.600 -0.251 0.808) 10.633 12.599 ( -10.600 0.251 0.808) 10.633 13.013 ( -0.259 -2.183 -1.507) 2.666 13.013 ( -0.259 2.183 -1.507) 2.666 13.735 ( -4.151 -3.425 -0.508) 5.405 13.735 ( -4.151 3.425 -0.508) 5.405 13.925 ( 0.167 -1.435 -1.188) 1.871 13.925 ( 0.167 1.435 -1.188) 1.871 14.496 ( 5.116 -1.635 -1.089) 5.480 14.496 ( 5.116 1.635 -1.089) 5.480 15.108 ( 4.603 -5.691 -2.195) 7.641 15.108 ( 4.603 5.691 -2.195) 7.641 15.578 ( -2.252 -1.059 -0.232) 2.499 15.578 ( -2.252 1.059 -0.232) 2.499 15.797 ( 1.528 -3.387 3.764) 5.289 15.797 ( 1.528 3.387 3.764) 5.289 16.168 ( -11.355 -2.220 -2.010) 11.743 16.168 ( -11.355 2.220 -2.010) 11.743 17.011 ( 4.073 -1.182 -0.236) 4.248 17.011 ( 4.073 1.182 -0.236) 4.248 19.362 ( -3.155 -2.327 0.855) 4.013 19.362 ( -3.155 2.327 0.855) 4.013 20.956 ( 3.160 -1.919 0.306) 3.710 20.956 ( 3.160 1.919 0.306) 3.710 21.769 ( -7.467 -3.754 -0.096) 8.358 21.769 ( -7.467 3.754 -0.096) 8.358 22.952 ( 6.487 -1.995 -0.163) 6.789 22.952 ( 6.487 1.995 -0.163) 6.789 26.934 ( -20.969 -6.235 -1.641) 21.938 26.934 ( -20.969 6.235 -1.641) 21.938 28.940 ( 25.271 -5.406 -0.532) 25.848 28.940 ( 25.271 5.406 -0.532) 25.848 30.880 ( -9.836 -1.866 3.144) 10.493 30.880 ( -9.836 1.866 3.144) 10.493 31.371 ( -6.295 -2.154 0.237) 6.658 31.371 ( -6.295 2.154 0.237) 6.658 31.666 ( -1.331 -3.076 0.972) 3.490 31.666 ( -1.331 3.076 0.972) 3.490 32.170 ( 9.955 -1.419 1.830) 10.221 32.170 ( 9.955 1.419 1.830) 10.221 33.154 ( -12.048 -1.989 0.825) 12.238 33.154 ( -12.048 1.989 0.825) 12.238 33.910 ( 7.803 -3.501 -1.172) 8.632 33.910 ( 7.803 3.501 -1.172) 8.632 35.556 ( 0.035 -1.192 1.174) 1.673 35.556 ( 0.035 1.192 1.174) 1.673 35.950 ( -2.404 -0.797 2.682) 3.690 35.950 ( -2.404 0.797 2.682) 3.690 36.349 ( -5.672 -7.602 -0.899) 9.527 36.349 ( -5.672 7.602 -0.899) 9.527 37.977 ( 11.593 -10.065 -2.853) 15.615 37.977 ( 11.593 10.065 -2.853) 15.615 ======================= Grid point 82 (44/88) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.524 -13.256 7.739) 15.749 1.371 ( 3.524 13.256 7.739) 15.749 1.806 ( -3.759 -7.304 2.784) 8.673 1.806 ( -3.759 7.304 2.784) 8.673 2.064 ( -8.250 -3.012 11.085) 14.142 2.064 ( -8.250 3.012 11.085) 14.142 2.450 ( 5.288 -3.838 -3.133) 7.246 2.450 ( 5.288 3.838 -3.133) 7.246 2.807 ( -4.830 -4.556 5.004) 8.314 2.807 ( -4.830 4.556 5.004) 8.314 3.176 ( -5.997 -6.759 3.241) 9.600 3.176 ( -5.997 6.759 3.241) 9.600 3.455 ( -1.992 -5.948 -2.613) 6.796 3.455 ( -1.992 5.948 -2.613) 6.796 3.787 ( 1.183 -7.260 -0.409) 7.367 3.787 ( 1.183 7.260 -0.409) 7.367 4.073 ( -1.666 -6.896 1.321) 7.216 4.073 ( -1.666 6.896 1.321) 7.216 4.381 ( 2.610 -0.995 -5.429) 6.105 4.381 ( 2.610 0.995 -5.429) 6.105 4.634 ( -1.205 -3.929 1.903) 4.529 4.634 ( -1.205 3.929 1.903) 4.529 4.870 ( -0.467 -3.723 -1.582) 4.072 4.870 ( -0.467 3.723 -1.582) 4.072 5.140 ( 3.923 -4.643 -1.691) 6.309 5.140 ( 3.923 4.643 -1.691) 6.309 5.325 ( 3.502 -5.733 -2.970) 7.345 5.325 ( 3.502 5.733 -2.970) 7.345 5.790 ( 3.687 -6.249 2.678) 7.734 5.790 ( 3.687 6.249 2.678) 7.734 6.062 ( 1.088 -1.560 1.217) 2.258 6.062 ( 1.088 1.560 1.217) 2.258 6.197 ( 2.164 -2.364 0.889) 3.326 6.197 ( 2.164 2.364 0.889) 3.326 6.934 ( -7.064 -4.804 0.180) 8.545 6.934 ( -7.064 4.804 0.180) 8.545 7.402 ( 6.030 -1.762 -4.132) 7.519 7.402 ( 6.030 1.762 -4.132) 7.519 7.811 ( 4.379 -2.163 1.994) 5.275 7.811 ( 4.379 2.163 1.994) 5.275 8.110 ( -4.828 -6.066 0.048) 7.752 8.110 ( -4.828 6.066 0.048) 7.752 9.015 ( -0.466 -6.475 -1.851) 6.751 9.015 ( -0.466 6.475 -1.851) 6.751 9.360 ( 2.485 -2.872 1.014) 3.931 9.360 ( 2.485 2.872 1.014) 3.931 9.697 ( -0.262 -4.557 0.257) 4.572 9.697 ( -0.262 4.557 0.257) 4.572 10.069 ( -4.701 -4.027 0.042) 6.190 10.069 ( -4.701 4.027 0.042) 6.190 10.539 ( 0.355 -1.323 -1.138) 1.780 10.539 ( 0.355 1.323 -1.138) 1.780 11.296 ( 8.575 -0.769 -0.832) 8.650 11.296 ( 8.575 0.769 -0.832) 8.650 11.579 ( 1.922 -1.765 0.347) 2.632 11.579 ( 1.922 1.765 0.347) 2.632 12.369 ( -11.232 -1.154 0.787) 11.319 12.369 ( -11.232 1.154 0.787) 11.319 13.023 ( 1.161 -0.755 -1.777) 2.252 13.023 ( 1.161 0.755 -1.777) 2.252 13.614 ( -5.701 -2.579 -1.627) 6.465 13.614 ( -5.701 2.579 -1.627) 6.465 13.987 ( 4.051 -1.494 -0.858) 4.402 13.987 ( 4.051 1.494 -0.858) 4.402 14.551 ( -0.111 -0.528 -3.537) 3.578 14.551 ( -0.111 0.528 -3.537) 3.578 15.182 ( 3.113 -4.338 0.317) 5.348 15.182 ( 3.113 4.338 0.317) 5.348 15.539 ( -2.279 -2.118 0.745) 3.199 15.539 ( -2.279 2.118 0.745) 3.199 15.812 ( -0.544 -4.591 3.192) 5.618 15.812 ( -0.544 4.591 3.192) 5.618 15.981 ( -5.414 -1.857 -0.982) 5.807 15.981 ( -5.414 1.857 -0.982) 5.807 17.084 ( 3.122 -1.242 0.048) 3.360 17.084 ( 3.122 1.242 0.048) 3.360 19.307 ( -2.046 -3.107 0.988) 3.850 19.307 ( -2.046 3.107 0.988) 3.850 21.025 ( 3.294 -1.707 0.172) 3.714 21.025 ( 3.294 1.707 0.172) 3.714 21.613 ( -7.456 -3.983 -0.371) 8.462 21.613 ( -7.456 3.983 -0.371) 8.462 23.074 ( 5.141 -2.294 -0.388) 5.643 23.074 ( 5.141 2.294 -0.388) 5.643 26.559 ( -15.245 -2.420 -0.800) 15.456 26.559 ( -15.245 2.420 -0.800) 15.456 29.437 ( 23.415 -5.600 -1.497) 24.122 29.437 ( 23.415 5.600 -1.497) 24.122 30.634 ( -14.305 -2.590 3.904) 15.053 30.634 ( -14.305 2.590 3.904) 15.053 31.262 ( -4.223 -2.104 0.089) 4.719 31.262 ( -4.223 2.104 0.089) 4.719 31.646 ( -0.759 -3.673 -0.178) 3.754 31.646 ( -0.759 3.673 -0.178) 3.754 32.383 ( 11.365 -0.967 1.778) 11.544 32.383 ( 11.365 0.967 1.778) 11.544 32.907 ( -12.845 -2.319 1.868) 13.186 32.907 ( -12.845 2.319 1.868) 13.186 34.037 ( 4.803 -3.793 -1.417) 6.282 34.037 ( 4.803 3.793 -1.417) 6.282 35.552 ( -0.664 -3.709 2.117) 4.322 35.552 ( -0.664 3.709 2.117) 4.322 35.880 ( -4.115 -3.712 0.726) 5.590 35.880 ( -4.115 3.712 0.726) 5.590 36.276 ( -1.601 -6.749 2.292) 7.305 36.276 ( -1.601 6.749 2.292) 7.305 38.196 ( 9.413 -8.430 -4.402) 13.381 38.196 ( 9.413 8.430 -4.402) 13.381 ======================= Grid point 98 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -6.368 0.000 19.089) 20.123 1.435 ( -10.074 0.000 22.749) 24.880 1.680 ( 3.056 0.000 -4.033) 5.061 1.827 ( 12.196 0.000 5.182) 13.251 2.057 ( 0.988 0.000 1.686) 1.954 2.311 ( -1.106 0.000 5.536) 5.645 2.396 ( -1.971 0.000 23.535) 23.618 2.543 ( -9.780 0.000 3.191) 10.288 2.637 ( 6.770 0.000 2.545) 7.232 2.733 ( -8.423 0.000 -9.756) 12.889 2.899 ( 11.798 0.000 0.784) 11.824 3.082 ( -4.123 0.000 3.078) 5.145 3.349 ( -0.848 0.000 7.369) 7.417 3.469 ( -1.996 0.000 -1.493) 2.492 3.714 ( 1.938 0.000 -4.608) 4.999 3.870 ( 2.538 0.000 -3.196) 4.081 3.986 ( -4.413 0.000 -1.793) 4.763 4.030 ( 5.578 0.000 -5.437) 7.789 4.140 ( -6.511 0.000 -1.722) 6.735 4.216 ( -1.601 0.000 -4.396) 4.679 4.421 ( 6.890 0.000 -5.416) 8.764 4.501 ( -4.471 0.000 -1.953) 4.879 4.735 ( 5.918 0.000 -4.586) 7.487 4.793 ( -4.762 0.000 -1.628) 5.032 4.887 ( 2.265 0.000 -5.982) 6.397 5.134 ( 6.045 0.000 -1.480) 6.224 5.171 ( -2.635 0.000 7.885) 8.314 5.417 ( -4.288 0.000 3.679) 5.650 5.689 ( 3.242 0.000 6.141) 6.944 5.965 ( -3.480 0.000 -6.055) 6.984 6.016 ( -4.446 0.000 1.774) 4.787 6.042 ( 2.889 0.000 -0.884) 3.021 6.206 ( -0.342 0.000 1.007) 1.063 6.540 ( 6.044 0.000 -0.840) 6.102 6.725 ( 0.483 0.000 1.322) 1.407 6.852 ( 0.473 0.000 1.971) 2.027 7.211 ( -1.596 0.000 -3.335) 3.697 7.386 ( -1.133 0.000 2.740) 2.965 7.761 ( -9.863 0.000 -1.971) 10.058 7.934 ( 4.962 0.000 -1.440) 5.167 8.125 ( 7.652 0.000 -0.423) 7.664 8.222 ( -5.810 0.000 -2.276) 6.240 9.050 ( 2.248 0.000 -1.866) 2.922 9.294 ( 3.761 0.000 5.454) 6.625 9.488 ( -9.450 0.000 -2.397) 9.749 9.536 ( 0.553 0.000 1.569) 1.663 9.665 ( 0.351 0.000 -2.000) 2.031 9.866 ( -2.159 0.000 1.057) 2.404 9.965 ( 4.604 0.000 -4.282) 6.287 10.201 ( 0.348 0.000 -1.179) 1.229 10.551 ( -4.756 0.000 2.676) 5.457 10.690 ( 5.080 0.000 -2.844) 5.822 11.447 ( 1.658 0.000 1.165) 2.026 11.536 ( -1.224 0.000 -1.305) 1.789 11.627 ( 0.056 0.000 1.370) 1.371 11.817 ( 2.141 0.000 3.371) 3.993 12.162 ( -1.570 0.000 1.151) 1.947 12.286 ( -2.141 0.000 -0.676) 2.245 12.983 ( 2.038 0.000 -1.408) 2.477 13.082 ( 1.193 0.000 -0.244) 1.218 13.473 ( 0.137 0.000 -0.770) 0.782 13.555 ( -3.687 0.000 -0.044) 3.687 13.998 ( -2.114 0.000 4.248) 4.745 14.149 ( 2.244 0.000 -0.701) 2.351 14.197 ( 1.722 0.000 -1.137) 2.064 14.440 ( -1.567 0.000 -3.113) 3.485 15.229 ( 5.383 0.000 -0.157) 5.386 15.303 ( -5.240 0.000 0.884) 5.314 15.420 ( 1.316 0.000 -0.955) 1.626 15.477 ( 1.012 0.000 -0.665) 1.211 15.773 ( -1.606 0.000 -2.006) 2.570 15.833 ( -0.706 0.000 -0.241) 0.746 16.048 ( 2.073 0.000 1.296) 2.445 16.327 ( -2.501 0.000 1.215) 2.780 17.075 ( 1.099 0.000 1.493) 1.854 17.135 ( 0.393 0.000 -0.093) 0.404 19.172 ( -0.420 0.000 2.120) 2.161 19.365 ( 1.374 0.000 -2.822) 3.139 20.978 ( 0.032 0.000 0.046) 0.056 21.096 ( -0.740 0.000 -0.646) 0.982 21.247 ( -1.191 0.000 0.455) 1.275 21.650 ( 0.910 0.000 -0.126) 0.919 22.918 ( -0.831 0.000 -0.373) 0.911 23.179 ( 0.634 0.000 0.928) 1.124 26.404 ( 0.820 0.000 0.093) 0.825 26.436 ( 3.458 0.000 -0.019) 3.458 29.590 ( 5.418 0.000 1.925) 5.749 29.671 ( -7.251 0.000 -1.565) 7.418 30.685 ( 5.481 0.000 3.201) 6.347 30.907 ( -2.880 0.000 -1.518) 3.256 31.216 ( -3.935 0.000 -1.175) 4.106 31.322 ( -6.573 0.000 -0.429) 6.587 31.449 ( 0.007 0.000 -0.570) 0.570 31.579 ( 8.488 0.000 -1.556) 8.630 32.558 ( -4.852 0.000 1.346) 5.035 32.627 ( 1.169 0.000 -0.653) 1.339 32.794 ( 8.612 0.000 4.350) 9.649 32.969 ( -3.595 0.000 -1.246) 3.805 33.956 ( 0.191 0.000 1.252) 1.266 34.117 ( 0.064 0.000 -3.653) 3.653 35.240 ( -1.944 0.000 2.089) 2.853 35.383 ( 2.292 0.000 -2.313) 3.257 35.847 ( 1.947 0.000 0.730) 2.080 35.958 ( -9.201 0.000 -2.802) 9.618 36.199 ( 0.216 0.000 0.533) 0.575 36.410 ( -0.403 0.000 2.378) 2.412 38.153 ( -0.020 0.000 4.600) 4.600 38.514 ( 0.756 0.000 -5.402) 5.454 ======================= Grid point 99 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.976 0.000 13.448) 13.484 1.348 ( 4.754 0.000 16.980) 17.632 1.753 ( 4.123 0.000 -2.920) 5.052 1.965 ( 2.202 0.000 -0.015) 2.202 2.088 ( 0.252 0.000 4.587) 4.594 2.349 ( 2.959 0.000 7.003) 7.602 2.406 ( -5.933 0.000 -0.430) 5.949 2.482 ( 9.465 0.000 20.631) 22.699 2.592 ( 2.009 0.000 4.518) 4.944 2.775 ( 4.431 0.000 -0.191) 4.435 3.060 ( 1.940 0.000 6.017) 6.322 3.220 ( 4.711 0.000 0.022) 4.711 3.292 ( 2.495 0.000 5.726) 6.246 3.521 ( 6.253 0.000 0.431) 6.268 3.708 ( -2.276 0.000 -6.969) 7.331 3.811 ( -6.834 0.000 -2.463) 7.264 3.830 ( -8.874 0.000 -4.350) 9.883 4.068 ( 2.191 0.000 0.838) 2.346 4.124 ( 3.831 0.000 -4.208) 5.690 4.210 ( 0.242 0.000 -3.000) 3.010 4.400 ( -5.241 0.000 -1.908) 5.577 4.515 ( 3.789 0.000 -8.780) 9.563 4.687 ( -4.712 0.000 -4.130) 6.266 4.836 ( 3.741 0.000 -5.198) 6.405 4.994 ( 6.750 0.000 -3.676) 7.686 5.087 ( -4.541 0.000 6.773) 8.154 5.267 ( 5.567 0.000 -2.806) 6.234 5.369 ( -1.054 0.000 5.745) 5.841 5.667 ( -11.069 0.000 2.085) 11.263 5.791 ( -3.404 0.000 1.945) 3.921 5.924 ( -3.098 0.000 2.084) 3.734 6.028 ( -5.444 0.000 0.572) 5.474 6.218 ( 0.148 0.000 0.891) 0.903 6.609 ( -2.593 0.000 -2.617) 3.684 6.650 ( -3.092 0.000 -1.827) 3.592 6.983 ( 8.346 0.000 2.854) 8.821 7.203 ( 0.748 0.000 -1.742) 1.896 7.361 ( -1.335 0.000 1.745) 2.197 7.605 ( -4.450 0.000 0.234) 4.456 7.881 ( -10.040 0.000 0.015) 10.040 8.169 ( 5.151 0.000 -4.094) 6.580 8.328 ( 8.078 0.000 1.295) 8.181 9.100 ( 3.269 0.000 -2.858) 4.342 9.264 ( -8.621 0.000 2.920) 9.102 9.352 ( -0.961 0.000 2.389) 2.575 9.563 ( 1.295 0.000 1.952) 2.343 9.682 ( 1.242 0.000 -3.672) 3.876 9.827 ( -0.855 0.000 0.321) 0.914 10.076 ( 5.471 0.000 -3.367) 6.424 10.220 ( 0.868 0.000 -0.036) 0.869 10.451 ( -4.819 0.000 1.809) 5.147 10.772 ( 3.257 0.000 -3.053) 4.464 11.369 ( -9.439 0.000 0.524) 9.454 11.408 ( -9.937 0.000 0.155) 9.939 11.520 ( -5.594 0.000 1.179) 5.716 11.787 ( -4.080 0.000 1.215) 4.257 12.308 ( 11.196 0.000 1.534) 11.301 12.404 ( 11.765 0.000 -0.163) 11.766 12.973 ( -2.505 0.000 -1.393) 2.866 13.111 ( 1.670 0.000 -1.770) 2.433 13.569 ( 7.132 0.000 0.808) 7.178 13.621 ( 9.043 0.000 -3.871) 9.837 13.958 ( -0.411 0.000 1.222) 1.290 14.116 ( -4.525 0.000 -0.722) 4.582 14.263 ( 2.079 0.000 -0.898) 2.265 14.381 ( -3.648 0.000 -1.671) 4.012 15.150 ( -5.755 0.000 -3.477) 6.724 15.287 ( -2.918 0.000 -0.313) 2.935 15.428 ( 4.561 0.000 0.961) 4.661 15.620 ( 3.608 0.000 0.330) 3.623 15.769 ( 4.324 0.000 0.171) 4.327 15.890 ( -2.303 0.000 1.828) 2.940 16.030 ( 6.750 0.000 -2.710) 7.274 16.321 ( 0.105 0.000 1.979) 1.981 17.078 ( -1.298 0.000 0.988) 1.631 17.124 ( -1.538 0.000 -0.683) 1.683 19.201 ( 2.797 0.000 1.994) 3.435 19.406 ( 2.476 0.000 -3.018) 3.904 20.978 ( 0.101 0.000 -0.477) 0.488 21.034 ( -4.620 0.000 0.644) 4.665 21.299 ( 6.388 0.000 -0.461) 6.405 21.729 ( 6.003 0.000 -0.066) 6.004 22.836 ( -5.954 0.000 0.178) 5.957 23.155 ( -3.529 0.000 0.457) 3.559 26.504 ( 10.408 0.000 0.690) 10.431 26.759 ( 24.584 0.000 -10.615) 26.778 29.282 ( -24.708 0.000 3.752) 24.991 29.468 ( -20.242 0.000 -3.052) 20.471 30.854 ( 8.638 0.000 2.228) 8.921 30.915 ( 5.214 0.000 3.546) 6.306 31.181 ( 2.823 0.000 2.197) 3.578 31.318 ( 4.241 0.000 2.536) 4.941 31.469 ( 1.838 0.000 0.305) 1.863 31.811 ( 11.739 0.000 -8.939) 14.755 32.337 ( -13.083 0.000 2.478) 13.316 32.568 ( -7.587 0.000 -1.413) 7.717 32.982 ( 8.395 0.000 3.707) 9.177 33.064 ( 11.022 0.000 -1.152) 11.082 33.921 ( -3.737 0.000 1.195) 3.923 34.072 ( -4.271 0.000 -3.574) 5.569 35.220 ( -0.264 0.000 1.390) 1.415 35.446 ( 4.102 0.000 -1.928) 4.533 35.805 ( -4.719 0.000 1.181) 4.864 35.894 ( 2.160 0.000 2.015) 2.954 36.202 ( -0.731 0.000 0.254) 0.774 36.422 ( 1.692 0.000 3.050) 3.488 38.052 ( -7.947 0.000 7.464) 10.903 38.443 ( -7.364 0.000 -6.216) 9.636 ======================= Grid point 100 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 13.937 0.000 7.151) 15.664 1.566 ( 12.503 0.000 3.422) 12.963 1.823 ( 3.950 0.000 2.372) 4.607 1.972 ( -2.170 0.000 4.259) 4.780 2.213 ( 12.202 0.000 -0.347) 12.207 2.282 ( -3.262 0.000 -6.706) 7.457 2.418 ( 4.686 0.000 7.439) 8.792 2.567 ( -3.150 0.000 3.848) 4.973 2.740 ( 3.172 0.000 8.738) 9.296 2.832 ( 4.956 0.000 2.752) 5.669 3.053 ( 4.885 0.000 14.965) 15.742 3.170 ( -15.715 0.000 -1.503) 15.787 3.293 ( -2.039 0.000 6.053) 6.387 3.499 ( -15.564 0.000 -1.647) 15.651 3.699 ( 9.940 0.000 2.320) 10.207 3.763 ( 6.124 0.000 1.776) 6.376 3.838 ( 6.061 0.000 -9.524) 11.289 4.138 ( 2.165 0.000 -3.352) 3.990 4.162 ( -3.022 0.000 -0.809) 3.129 4.298 ( -2.912 0.000 -1.734) 3.389 4.312 ( 11.382 0.000 -1.348) 11.461 4.594 ( 1.195 0.000 -4.120) 4.289 4.638 ( 4.424 0.000 -10.093) 11.020 4.878 ( 0.701 0.000 -3.773) 3.838 4.988 ( -3.413 0.000 5.725) 6.665 5.100 ( 0.530 0.000 -1.157) 1.272 5.313 ( -2.286 0.000 1.824) 2.924 5.343 ( 0.645 0.000 3.107) 3.173 5.509 ( -1.776 0.000 2.454) 3.029 5.763 ( -4.178 0.000 -0.634) 4.225 5.838 ( -5.247 0.000 5.386) 7.519 5.946 ( -0.791 0.000 -2.763) 2.874 6.152 ( -6.269 0.000 -2.912) 6.912 6.396 ( -14.804 0.000 -0.320) 14.807 6.690 ( 5.497 0.000 -3.573) 6.556 7.076 ( -0.725 0.000 -1.799) 1.939 7.250 ( 2.118 0.000 4.631) 5.092 7.339 ( 0.585 0.000 -1.182) 1.319 7.571 ( -2.297 0.000 1.708) 2.863 7.701 ( -4.297 0.000 -0.812) 4.373 8.273 ( 4.783 0.000 0.094) 4.784 8.481 ( 7.414 0.000 0.396) 7.425 9.110 ( -5.916 0.000 -0.154) 5.918 9.168 ( 2.040 0.000 -1.068) 2.302 9.328 ( -1.032 0.000 1.601) 1.905 9.587 ( 0.924 0.000 1.701) 1.936 9.701 ( 1.164 0.000 -5.050) 5.182 9.836 ( 0.376 0.000 1.415) 1.464 10.167 ( 2.629 0.000 1.735) 3.150 10.206 ( 0.559 0.000 0.567) 0.796 10.393 ( -1.529 0.000 -1.741) 2.317 10.822 ( 2.065 0.000 -1.764) 2.716 11.138 ( -12.419 0.000 -0.920) 12.453 11.205 ( -9.964 0.000 2.198) 10.203 11.474 ( 0.075 0.000 0.104) 0.128 11.703 ( -3.906 0.000 -0.232) 3.913 12.511 ( 8.559 0.000 0.387) 8.568 12.625 ( 9.106 0.000 0.301) 9.111 12.935 ( -0.896 0.000 -0.824) 1.217 13.139 ( 1.409 0.000 -2.253) 2.657 13.703 ( 6.848 0.000 4.574) 8.235 13.773 ( 4.882 0.000 -3.069) 5.767 13.994 ( -6.272 0.000 -1.856) 6.541 14.037 ( 6.418 0.000 -4.990) 8.129 14.219 ( -5.536 0.000 0.454) 5.554 14.343 ( 0.300 0.000 -1.641) 1.668 15.032 ( -6.298 0.000 -4.532) 7.759 15.220 ( -3.716 0.000 -1.606) 4.048 15.539 ( 5.597 0.000 1.183) 5.721 15.600 ( -2.424 0.000 1.518) 2.860 15.765 ( -2.052 0.000 1.698) 2.664 15.978 ( 9.132 0.000 2.910) 9.585 16.254 ( 9.058 0.000 -2.302) 9.346 16.293 ( 0.082 0.000 -0.738) 0.743 17.023 ( -4.154 0.000 0.914) 4.253 17.070 ( -3.781 0.000 -0.982) 3.907 19.268 ( 3.706 0.000 1.827) 4.132 19.444 ( 1.205 0.000 -2.086) 2.409 20.950 ( -3.148 0.000 -0.350) 3.168 20.972 ( -1.216 0.000 0.206) 1.233 21.472 ( 10.477 0.000 -1.197) 10.545 21.851 ( 5.416 0.000 0.848) 5.482 22.730 ( -4.000 0.000 -0.527) 4.035 23.044 ( -7.263 0.000 0.345) 7.271 26.792 ( 17.775 0.000 2.434) 17.941 27.246 ( 23.470 0.000 -16.840) 28.886 28.774 ( -25.754 0.000 3.907) 26.049 28.978 ( -25.653 0.000 -3.176) 25.849 30.987 ( 6.307 0.000 1.813) 6.563 31.068 ( 7.008 0.000 4.372) 8.260 31.305 ( 8.078 0.000 1.891) 8.297 31.448 ( 7.312 0.000 3.940) 8.307 31.523 ( 4.317 0.000 1.455) 4.555 31.952 ( 2.006 0.000 -4.964) 5.354 32.098 ( -10.226 0.000 0.417) 10.234 32.388 ( -9.627 0.000 0.797) 9.660 33.177 ( 10.721 0.000 1.811) 10.873 33.262 ( 8.790 0.000 0.733) 8.820 33.819 ( -6.270 0.000 1.495) 6.445 33.955 ( -7.153 0.000 -3.389) 7.915 35.229 ( 1.034 0.000 0.066) 1.036 35.526 ( 3.506 0.000 0.567) 3.551 35.768 ( 0.536 0.000 -0.905) 1.052 35.923 ( 0.113 0.000 -0.357) 0.375 36.176 ( -1.175 0.000 2.194) 2.489 36.482 ( 4.022 0.000 3.912) 5.611 37.922 ( -5.084 0.000 6.291) 8.089 38.250 ( -10.759 0.000 -5.857) 12.250 ======================= Grid point 101 (48/88) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 9.890 0.000 6.578) 11.878 1.687 ( 0.359 0.000 -3.375) 3.394 1.850 ( -6.527 0.000 0.121) 6.528 1.980 ( 6.766 0.000 3.376) 7.562 2.251 ( -4.386 0.000 -4.129) 6.024 2.349 ( -3.620 0.000 14.431) 14.878 2.547 ( 4.190 0.000 -0.775) 4.261 2.595 ( 15.470 0.000 -4.515) 16.115 2.787 ( -0.363 0.000 5.590) 5.602 2.832 ( -6.284 0.000 3.412) 7.151 2.917 ( -2.599 0.000 -0.289) 2.615 3.173 ( 0.989 0.000 -3.311) 3.456 3.203 ( -13.116 0.000 8.284) 15.513 3.288 ( 8.305 0.000 4.581) 9.484 3.802 ( 3.285 0.000 -1.763) 3.728 3.894 ( 1.100 0.000 -6.032) 6.131 3.946 ( 1.287 0.000 0.062) 1.288 4.085 ( 0.558 0.000 5.379) 5.408 4.218 ( 5.204 0.000 0.393) 5.219 4.341 ( 5.071 0.000 -6.944) 8.598 4.435 ( -0.787 0.000 4.298) 4.369 4.556 ( -0.105 0.000 -2.962) 2.964 4.780 ( 2.792 0.000 -4.189) 5.034 4.870 ( -1.204 0.000 -2.314) 2.609 4.962 ( -0.152 0.000 5.507) 5.509 5.069 ( 0.042 0.000 2.758) 2.759 5.294 ( -0.564 0.000 -0.123) 0.578 5.366 ( -0.161 0.000 1.507) 1.515 5.474 ( -3.049 0.000 3.131) 4.371 5.629 ( -4.476 0.000 3.421) 5.634 5.819 ( 2.017 0.000 -1.965) 2.816 5.916 ( -3.284 0.000 -3.320) 4.670 6.056 ( -2.759 0.000 -4.688) 5.440 6.139 ( -7.663 0.000 -2.534) 8.071 6.825 ( 7.318 0.000 -4.715) 8.706 6.995 ( -5.803 0.000 -2.234) 6.218 7.193 ( -4.944 0.000 5.007) 7.037 7.404 ( 3.455 0.000 0.047) 3.455 7.537 ( 1.055 0.000 1.946) 2.214 7.693 ( -0.085 0.000 -0.917) 0.921 8.355 ( 3.198 0.000 2.061) 3.805 8.606 ( 4.930 0.000 -1.398) 5.124 9.006 ( -4.573 0.000 2.336) 5.135 9.158 ( -3.077 0.000 -2.230) 3.800 9.352 ( 3.240 0.000 0.497) 3.278 9.601 ( 0.149 0.000 -0.097) 0.178 9.730 ( 0.515 0.000 -4.374) 4.404 9.784 ( -3.236 0.000 1.840) 3.722 10.217 ( 5.488 0.000 1.332) 5.648 10.299 ( 2.898 0.000 1.442) 3.237 10.387 ( 4.461 0.000 -0.975) 4.566 10.797 ( -7.904 0.000 -1.568) 8.058 10.925 ( -7.095 0.000 0.491) 7.112 11.068 ( -2.335 0.000 1.568) 2.812 11.495 ( 1.371 0.000 -0.700) 1.539 11.642 ( -2.265 0.000 -0.305) 2.285 12.624 ( 2.949 0.000 -1.073) 3.138 12.742 ( 2.930 0.000 0.472) 2.968 12.933 ( 0.289 0.000 -0.841) 0.889 13.168 ( 1.328 0.000 -1.439) 1.958 13.803 ( 2.923 0.000 2.377) 3.768 13.873 ( 2.205 0.000 0.095) 2.207 13.891 ( -2.218 0.000 0.287) 2.237 14.032 ( -3.318 0.000 2.036) 3.893 14.204 ( 3.545 0.000 -5.707) 6.719 14.372 ( 1.415 0.000 -5.263) 5.450 14.904 ( -5.878 0.000 -2.986) 6.593 15.158 ( -1.431 0.000 -1.711) 2.230 15.573 ( -0.359 0.000 0.176) 0.400 15.622 ( 2.034 0.000 -1.416) 2.478 15.784 ( 3.780 0.000 3.718) 5.302 16.059 ( -2.830 0.000 4.156) 5.028 16.270 ( 3.112 0.000 -2.104) 3.757 16.450 ( 5.668 0.000 -1.181) 5.790 16.930 ( -4.442 0.000 0.301) 4.452 17.000 ( -2.447 0.000 -0.408) 2.481 19.337 ( 2.925 0.000 1.557) 3.314 19.444 ( -1.060 0.000 -1.362) 1.726 20.903 ( -1.823 0.000 0.918) 2.041 20.952 ( -0.214 0.000 -1.076) 1.098 21.670 ( 8.211 0.000 -1.542) 8.354 21.903 ( -0.573 0.000 0.544) 0.790 22.712 ( 2.676 0.000 0.335) 2.697 22.893 ( -7.405 0.000 -0.064) 7.405 27.133 ( 13.551 0.000 4.428) 14.257 27.582 ( 8.481 0.000 -14.462) 16.766 28.339 ( -16.004 0.000 2.688) 16.228 28.584 ( -10.261 0.000 -5.780) 11.777 31.096 ( 3.932 0.000 1.869) 4.354 31.161 ( 1.914 0.000 2.106) 2.846 31.448 ( 5.587 0.000 1.161) 5.706 31.537 ( 1.741 0.000 5.185) 5.470 31.655 ( 6.344 0.000 0.848) 6.400 31.883 ( -4.343 0.000 2.118) 4.832 31.981 ( -4.191 0.000 -2.667) 4.968 32.229 ( -5.310 0.000 3.961) 6.625 33.373 ( 6.685 0.000 2.769) 7.236 33.404 ( 5.901 0.000 -1.665) 6.131 33.699 ( -5.094 0.000 1.775) 5.394 33.812 ( -5.839 0.000 -2.686) 6.427 35.255 ( 1.550 0.000 -1.435) 2.112 35.560 ( -0.560 0.000 4.371) 4.407 35.811 ( 3.478 0.000 -2.873) 4.511 35.893 ( -2.293 0.000 -4.802) 5.321 36.182 ( 1.640 0.000 3.642) 3.995 36.570 ( 4.315 0.000 4.666) 6.355 37.829 ( -6.089 0.000 -0.010) 6.089 38.091 ( -2.887 0.000 -1.973) 3.497 ======================= Grid point 102 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -7.089 0.000 -5.492) 8.968 1.667 ( 1.116 0.000 1.552) 1.911 1.735 ( -3.253 0.000 3.317) 4.645 2.013 ( -9.597 0.000 10.079) 13.917 2.039 ( -5.454 0.000 4.078) 6.810 2.360 ( -6.128 0.000 -0.169) 6.131 2.542 ( 7.834 0.000 0.826) 7.877 2.706 ( -0.198 0.000 1.780) 1.791 2.766 ( -6.519 0.000 10.882) 12.685 2.899 ( 5.132 0.000 -4.986) 7.155 2.964 ( 1.600 0.000 3.006) 3.406 3.014 ( 2.070 0.000 8.468) 8.717 3.346 ( 11.568 0.000 -12.491) 17.025 3.429 ( 8.076 0.000 1.077) 8.147 3.755 ( -7.684 0.000 0.525) 7.702 3.906 ( 1.079 0.000 -5.202) 5.313 3.955 ( -3.095 0.000 5.764) 6.543 4.089 ( -0.997 0.000 0.287) 1.037 4.192 ( -7.694 0.000 3.421) 8.420 4.387 ( 0.490 0.000 -1.274) 1.365 4.436 ( 3.960 0.000 -5.188) 6.526 4.576 ( -4.089 0.000 -1.426) 4.331 4.734 ( -2.243 0.000 0.878) 2.409 4.834 ( -0.966 0.000 -6.648) 6.718 4.962 ( -0.942 0.000 4.381) 4.482 5.079 ( -0.752 0.000 3.449) 3.530 5.234 ( -4.963 0.000 2.449) 5.534 5.377 ( 2.872 0.000 2.291) 3.674 5.455 ( 1.615 0.000 -0.330) 1.648 5.623 ( 2.271 0.000 4.997) 5.488 5.836 ( -0.258 0.000 1.024) 1.056 5.904 ( 1.596 0.000 -3.076) 3.466 6.013 ( 3.270 0.000 -5.818) 6.674 6.166 ( 5.867 0.000 -2.693) 6.455 6.852 ( -5.541 0.000 -3.290) 6.445 6.936 ( 0.642 0.000 -2.089) 2.185 7.185 ( 5.094 0.000 2.650) 5.743 7.489 ( 5.944 0.000 -1.238) 6.072 7.572 ( 1.606 0.000 2.475) 2.950 7.648 ( -4.484 0.000 -0.322) 4.496 8.367 ( -2.941 0.000 1.583) 3.340 8.659 ( -0.255 0.000 -3.249) 3.259 8.954 ( 0.312 0.000 3.829) 3.842 9.075 ( -4.591 0.000 -0.174) 4.595 9.433 ( 4.816 0.000 -0.059) 4.817 9.553 ( -4.815 0.000 -2.162) 5.278 9.672 ( -1.164 0.000 1.138) 1.628 9.857 ( 6.033 0.000 -1.575) 6.236 10.268 ( -3.068 0.000 0.149) 3.072 10.353 ( 6.640 0.000 -3.295) 7.412 10.508 ( -6.509 0.000 -1.153) 6.610 10.642 ( 4.459 0.000 1.890) 4.844 10.833 ( -1.157 0.000 3.588) 3.770 11.114 ( 5.334 0.000 0.257) 5.341 11.510 ( 0.156 0.000 -1.208) 1.218 11.614 ( -0.375 0.000 0.440) 0.578 12.636 ( -1.483 0.000 -1.370) 2.019 12.747 ( -2.782 0.000 0.297) 2.798 12.932 ( -0.159 0.000 -0.850) 0.865 13.167 ( -1.541 0.000 -1.348) 2.047 13.777 ( -8.130 0.000 2.347) 8.462 13.854 ( 0.408 0.000 0.758) 0.861 13.874 ( 3.741 0.000 0.114) 3.742 14.122 ( 6.539 0.000 0.520) 6.560 14.275 ( 2.284 0.000 -1.443) 2.702 14.330 ( -3.761 0.000 -10.475) 11.130 14.835 ( -0.158 0.000 0.374) 0.405 15.177 ( 2.714 0.000 -3.217) 4.209 15.578 ( 0.838 0.000 -0.194) 0.860 15.627 ( -0.700 0.000 -1.235) 1.419 15.829 ( -2.452 0.000 0.990) 2.645 16.037 ( 4.403 0.000 5.742) 7.236 16.270 ( -4.944 0.000 -1.941) 5.311 16.458 ( -4.951 0.000 -1.066) 5.064 16.898 ( 1.780 0.000 0.663) 1.899 16.997 ( 2.076 0.000 -0.010) 2.076 19.367 ( -0.807 0.000 1.901) 2.065 19.412 ( -1.332 0.000 -1.569) 2.058 20.878 ( -0.503 0.000 1.052) 1.166 20.972 ( 2.090 0.000 -0.957) 2.299 21.692 ( -6.812 0.000 -2.361) 7.210 21.897 ( 1.002 0.000 0.878) 1.332 22.759 ( -2.419 0.000 -1.380) 2.785 22.846 ( 6.968 0.000 1.458) 7.119 27.169 ( -10.850 0.000 5.629) 12.223 27.469 ( -17.276 0.000 -12.549) 21.353 28.313 ( 14.332 0.000 2.775) 14.598 28.666 ( 16.352 0.000 -8.169) 18.279 31.095 ( -5.036 0.000 1.913) 5.387 31.162 ( -1.301 0.000 2.047) 2.425 31.494 ( -2.111 0.000 -0.753) 2.242 31.527 ( -1.658 0.000 5.160) 5.420 31.690 ( -3.376 0.000 0.322) 3.391 31.839 ( -2.821 0.000 2.528) 3.788 31.958 ( 5.726 0.000 -0.574) 5.754 32.225 ( 4.210 0.000 4.323) 6.034 33.339 ( -7.762 0.000 1.313) 7.872 33.445 ( -5.539 0.000 -0.494) 5.561 33.685 ( 4.937 0.000 2.101) 5.366 33.812 ( 5.821 0.000 -2.635) 6.390 35.284 ( 1.401 0.000 -2.564) 2.922 35.510 ( -4.446 0.000 4.719) 6.484 35.833 ( -1.456 0.000 -1.362) 1.993 35.909 ( 4.574 0.000 -6.097) 7.622 36.230 ( 2.677 0.000 2.060) 3.378 36.631 ( 0.773 0.000 2.731) 2.839 37.714 ( -3.181 0.000 2.466) 4.025 38.136 ( 6.148 0.000 -2.382) 6.593 ======================= Grid point 103 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -8.544 0.000 -6.655) 10.830 1.643 ( -8.281 0.000 7.881) 11.432 1.702 ( -2.768 0.000 4.546) 5.322 1.845 ( -4.082 0.000 8.249) 9.204 1.984 ( 0.580 0.000 1.134) 1.273 2.261 ( -1.129 0.000 2.127) 2.408 2.563 ( -11.463 0.000 5.073) 12.535 2.641 ( -0.716 0.000 4.397) 4.455 2.712 ( -3.408 0.000 12.203) 12.670 2.951 ( -0.688 0.000 -1.865) 1.988 3.074 ( 13.809 0.000 6.362) 15.204 3.147 ( 4.404 0.000 -2.997) 5.327 3.415 ( 0.754 0.000 5.253) 5.307 3.533 ( -6.822 0.000 2.753) 7.356 3.685 ( -9.384 0.000 -5.560) 10.908 3.741 ( 4.472 0.000 3.427) 5.634 3.963 ( -4.287 0.000 -4.111) 5.939 3.987 ( -2.905 0.000 -1.619) 3.325 4.170 ( 3.171 0.000 -4.030) 5.128 4.372 ( -1.773 0.000 -1.807) 2.532 4.389 ( -7.415 0.000 -6.084) 9.591 4.518 ( 0.235 0.000 -6.940) 6.944 4.700 ( -2.060 0.000 -3.770) 4.296 4.807 ( -0.583 0.000 -7.018) 7.042 4.976 ( 0.993 0.000 2.489) 2.680 5.038 ( -1.843 0.000 3.106) 3.612 5.174 ( -0.915 0.000 4.991) 5.075 5.471 ( 5.634 0.000 5.256) 7.705 5.520 ( 3.785 0.000 0.102) 3.786 5.696 ( 4.756 0.000 4.191) 6.339 5.896 ( 3.957 0.000 -0.685) 4.016 5.928 ( 3.723 0.000 -0.295) 3.735 6.132 ( 7.097 0.000 -3.622) 7.968 6.284 ( 5.564 0.000 3.220) 6.429 6.740 ( -5.054 0.000 -3.265) 6.017 6.940 ( 0.093 0.000 0.144) 0.172 7.317 ( 5.904 0.000 -0.106) 5.905 7.485 ( -8.625 0.000 -2.440) 8.963 7.626 ( 4.948 0.000 0.386) 4.963 7.678 ( 10.153 0.000 0.210) 10.155 8.237 ( -9.876 0.000 0.905) 9.917 8.574 ( -7.347 0.000 -2.633) 7.804 9.001 ( -1.497 0.000 -0.632) 1.625 9.040 ( 6.213 0.000 5.800) 8.499 9.483 ( -1.257 0.000 -0.208) 1.274 9.539 ( 5.486 0.000 -2.529) 6.041 9.669 ( 0.082 0.000 0.695) 0.699 9.951 ( 2.870 0.000 -3.269) 4.350 10.152 ( -10.071 0.000 2.411) 10.356 10.301 ( -7.571 0.000 -2.843) 8.088 10.483 ( 5.979 0.000 -4.677) 7.591 10.678 ( -2.151 0.000 3.767) 4.338 11.023 ( 16.236 0.000 3.074) 16.524 11.244 ( 7.216 0.000 0.032) 7.216 11.518 ( 1.579 0.000 -0.985) 1.861 11.636 ( 2.626 0.000 1.584) 3.067 12.564 ( -5.772 0.000 -1.465) 5.955 12.616 ( -10.438 0.000 0.876) 10.475 12.942 ( 1.271 0.000 -1.204) 1.751 13.120 ( -2.784 0.000 -1.661) 3.242 13.623 ( -7.140 0.000 1.830) 7.370 13.888 ( 2.483 0.000 0.680) 2.574 13.957 ( 2.711 0.000 -2.963) 4.017 14.084 ( -8.122 0.000 -5.832) 9.999 14.251 ( -0.209 0.000 -0.483) 0.527 14.384 ( 4.713 0.000 -3.613) 5.939 14.905 ( 6.453 0.000 1.475) 6.620 15.224 ( 2.132 0.000 -2.849) 3.559 15.563 ( -3.371 0.000 -0.644) 3.432 15.641 ( 1.634 0.000 -0.096) 1.637 15.774 ( 0.290 0.000 1.289) 1.322 16.053 ( -10.575 0.000 0.082) 10.575 16.199 ( 1.198 0.000 1.273) 1.748 16.296 ( -7.030 0.000 -1.020) 7.103 16.972 ( 4.528 0.000 1.042) 4.647 17.056 ( 3.204 0.000 0.344) 3.222 19.308 ( -4.317 0.000 1.602) 4.605 19.393 ( -1.243 0.000 -1.375) 1.853 20.896 ( 2.290 0.000 1.027) 2.510 21.023 ( 2.880 0.000 -0.665) 2.955 21.501 ( -10.541 0.000 -2.138) 10.755 21.862 ( -5.289 0.000 0.474) 5.310 22.758 ( 3.130 0.000 -1.815) 3.618 23.010 ( 8.083 0.000 1.196) 8.171 26.857 ( -17.847 0.000 4.447) 18.392 27.032 ( -24.194 0.000 -11.900) 26.963 28.747 ( 26.017 0.000 3.417) 26.240 29.085 ( 24.684 0.000 -6.724) 25.584 30.935 ( -10.510 0.000 3.666) 11.131 31.100 ( -4.904 0.000 2.428) 5.472 31.398 ( -6.595 0.000 -0.928) 6.660 31.480 ( -2.819 0.000 3.212) 4.274 31.571 ( -6.731 0.000 0.875) 6.787 31.790 ( -3.876 0.000 -0.732) 3.944 32.148 ( 12.428 0.000 0.469) 12.437 32.346 ( 6.930 0.000 2.109) 7.244 33.143 ( -11.367 0.000 2.053) 11.551 33.277 ( -9.584 0.000 1.003) 9.637 33.811 ( 6.320 0.000 1.908) 6.601 33.955 ( 7.458 0.000 -3.550) 8.260 35.306 ( 0.912 0.000 -2.883) 3.024 35.412 ( -5.071 0.000 3.517) 6.171 35.813 ( -0.351 0.000 -1.538) 1.577 35.998 ( 4.316 0.000 -3.808) 5.756 36.275 ( 1.393 0.000 -0.511) 1.484 36.577 ( -6.155 0.000 -1.326) 6.297 37.768 ( 8.561 0.000 10.317) 13.406 38.287 ( 8.535 0.000 -4.687) 9.737 ======================= Grid point 104 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -5.116 0.000 7.331) 8.940 1.439 ( -1.985 0.000 20.811) 20.905 1.671 ( -1.158 0.000 -2.795) 3.026 1.791 ( -4.756 0.000 2.470) 5.359 2.039 ( 2.733 0.000 -1.830) 3.289 2.313 ( 5.284 0.000 2.158) 5.707 2.366 ( -4.476 0.000 10.878) 11.763 2.577 ( -7.131 0.000 12.910) 14.748 2.667 ( 1.275 0.000 8.689) 8.782 2.900 ( -3.628 0.000 -0.518) 3.665 2.990 ( -19.574 0.000 2.837) 19.778 3.219 ( -3.624 0.000 3.902) 5.325 3.343 ( -2.176 0.000 3.868) 4.438 3.571 ( -5.188 0.000 -3.335) 6.168 3.605 ( 9.341 0.000 1.892) 9.531 3.755 ( 3.702 0.000 -6.184) 7.207 3.907 ( 3.625 0.000 1.112) 3.792 4.045 ( 1.909 0.000 -8.954) 9.155 4.213 ( -0.154 0.000 -4.079) 4.082 4.257 ( -2.658 0.000 -6.619) 7.133 4.342 ( -0.846 0.000 -2.708) 2.838 4.541 ( 0.952 0.000 -3.819) 3.936 4.670 ( 0.502 0.000 -7.005) 7.023 4.822 ( 0.835 0.000 -3.786) 3.877 4.921 ( -3.466 0.000 -2.895) 4.516 5.052 ( 1.616 0.000 2.710) 3.155 5.189 ( 0.694 0.000 6.501) 6.538 5.503 ( -3.148 0.000 1.254) 3.388 5.607 ( 4.602 0.000 8.482) 9.650 5.838 ( 9.800 0.000 -2.730) 10.173 5.984 ( 4.197 0.000 0.955) 4.304 6.026 ( 4.763 0.000 -1.360) 4.953 6.209 ( 0.239 0.000 -0.312) 0.393 6.419 ( 7.376 0.000 4.084) 8.431 6.675 ( -0.235 0.000 -1.769) 1.784 6.920 ( -2.876 0.000 0.793) 2.983 7.301 ( -7.576 0.000 -2.241) 7.900 7.389 ( 0.965 0.000 1.336) 1.648 7.768 ( 8.277 0.000 -5.656) 10.025 7.903 ( 11.316 0.000 1.582) 11.426 8.013 ( -11.316 0.000 0.860) 11.349 8.402 ( -9.559 0.000 -2.098) 9.786 9.005 ( 1.937 0.000 -0.460) 1.991 9.182 ( 6.898 0.000 5.104) 8.581 9.491 ( 1.597 0.000 -0.404) 1.648 9.623 ( 0.964 0.000 -3.004) 3.155 9.666 ( -0.338 0.000 -0.758) 0.830 9.929 ( -8.260 0.000 2.114) 8.526 9.961 ( -1.937 0.000 -3.835) 4.297 10.216 ( -2.041 0.000 -0.884) 2.224 10.589 ( 4.977 0.000 -3.573) 6.127 10.628 ( -2.953 0.000 3.481) 4.565 11.328 ( 11.325 0.000 1.042) 11.373 11.393 ( 9.982 0.000 1.191) 10.053 11.578 ( 3.471 0.000 -1.051) 3.627 11.720 ( 5.645 0.000 3.547) 6.667 12.361 ( -14.049 0.000 0.579) 14.061 12.423 ( -8.479 0.000 -1.777) 8.664 12.963 ( 0.380 0.000 -1.530) 1.576 13.072 ( -1.106 0.000 -0.189) 1.122 13.510 ( -4.057 0.000 -0.049) 4.057 13.767 ( -13.418 0.000 -6.978) 15.124 13.986 ( 3.166 0.000 1.761) 3.623 14.074 ( 3.388 0.000 0.804) 3.482 14.222 ( -2.412 0.000 -0.559) 2.475 14.442 ( 1.343 0.000 -3.055) 3.337 15.058 ( 8.713 0.000 1.298) 8.809 15.294 ( 5.735 0.000 -1.436) 5.912 15.453 ( -7.262 0.000 0.121) 7.263 15.610 ( -5.808 0.000 0.379) 5.820 15.808 ( -4.427 0.000 -1.427) 4.652 15.918 ( 5.714 0.000 1.270) 5.853 16.001 ( -12.067 0.000 -2.383) 12.300 16.345 ( 2.497 0.000 1.598) 2.964 17.043 ( 2.318 0.000 1.351) 2.683 17.110 ( 2.143 0.000 0.213) 2.153 19.220 ( -4.201 0.000 1.909) 4.614 19.365 ( -1.068 0.000 -1.977) 2.247 20.953 ( 2.678 0.000 0.483) 2.721 21.077 ( 2.323 0.000 -0.493) 2.375 21.323 ( -6.680 0.000 -1.080) 6.767 21.722 ( -7.286 0.000 -0.093) 7.286 22.856 ( 5.706 0.000 -0.551) 5.732 23.135 ( 4.189 0.000 0.431) 4.211 26.543 ( -13.607 0.000 1.066) 13.648 26.587 ( -17.317 0.000 -3.781) 17.725 29.254 ( 23.772 0.000 3.219) 23.989 29.548 ( 19.503 0.000 -5.321) 20.216 30.726 ( -9.150 0.000 4.805) 10.335 30.993 ( -5.510 0.000 1.994) 5.859 31.284 ( -4.241 0.000 -0.989) 4.355 31.425 ( -2.602 0.000 -0.392) 2.631 31.474 ( -2.736 0.000 -0.457) 2.774 31.641 ( -10.643 0.000 -1.671) 10.773 32.421 ( 14.599 0.000 1.080) 14.639 32.483 ( 6.885 0.000 0.460) 6.900 32.910 ( -12.105 0.000 3.511) 12.604 33.100 ( -8.239 0.000 0.661) 8.266 33.914 ( 3.814 0.000 1.446) 4.079 34.073 ( 4.464 0.000 -3.636) 5.757 35.292 ( -2.867 0.000 1.162) 3.094 35.356 ( 0.205 0.000 -1.203) 1.221 35.818 ( 0.873 0.000 -0.522) 1.017 36.057 ( 0.870 0.000 -4.587) 4.669 36.252 ( -4.388 0.000 -2.610) 5.106 36.447 ( -4.626 0.000 1.185) 4.776 38.008 ( 12.593 0.000 9.200) 15.596 38.438 ( 6.504 0.000 -5.248) 8.357 ======================= Grid point 105 (52/88) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -0.799 11.532 15.760) 19.544 1.473 ( -6.413 9.296 13.875) 17.890 1.679 ( -1.599 1.684 5.418) 5.895 1.918 ( 12.202 6.782 8.319) 16.250 2.092 ( 0.609 2.491 3.178) 4.084 2.277 ( -3.057 0.056 3.329) 4.520 2.490 ( -2.132 0.635 11.635) 11.845 2.549 ( -7.067 3.912 -3.811) 8.931 2.680 ( -3.529 1.314 8.631) 9.417 2.738 ( 7.424 3.927 -2.135) 8.666 2.944 ( 6.346 -0.141 -1.063) 6.436 3.063 ( -6.865 2.693 -1.033) 7.446 3.268 ( -1.755 -5.985 3.301) 7.057 3.429 ( -0.462 -2.321 6.432) 6.854 3.726 ( -3.260 2.266 -6.153) 7.322 3.907 ( -0.774 -3.720 -3.656) 5.273 3.932 ( 3.681 3.032 -2.952) 5.608 4.042 ( 3.532 0.871 -3.291) 4.905 4.241 ( -3.420 7.511 -1.630) 8.413 4.330 ( 0.294 6.647 -2.275) 7.032 4.428 ( 5.055 1.318 -3.762) 6.438 4.522 ( -3.193 1.798 -3.987) 5.415 4.765 ( -2.935 2.419 -2.544) 4.576 4.837 ( 2.024 5.818 -1.872) 6.438 4.919 ( 3.182 3.464 -3.776) 6.032 5.116 ( 5.038 -1.620 -0.416) 5.308 5.230 ( -1.245 4.742 5.957) 7.716 5.433 ( -2.984 0.335 3.548) 4.648 5.666 ( 0.927 -1.444 2.731) 3.225 5.953 ( -3.151 -0.592 -4.489) 5.516 5.988 ( -3.209 -1.808 0.831) 3.776 6.099 ( 1.206 4.318 -1.497) 4.726 6.232 ( -0.727 1.964 1.518) 2.587 6.479 ( 6.004 -5.512 1.225) 8.242 6.726 ( -0.178 0.359 1.515) 1.567 6.876 ( 0.249 1.227 -0.281) 1.283 7.231 ( -1.003 2.476 -2.738) 3.825 7.405 ( -0.799 1.122 0.809) 1.597 7.759 ( -7.815 0.150 -1.305) 7.924 7.938 ( 3.085 0.169 -0.998) 3.247 8.118 ( 7.322 -0.962 0.074) 7.385 8.209 ( -4.488 -0.991 -2.809) 5.386 9.006 ( 1.680 -4.095 -0.410) 4.445 9.275 ( 3.793 -1.862 4.164) 5.933 9.442 ( -5.658 -4.090 -2.339) 7.363 9.523 ( -1.489 -2.233 0.300) 2.701 9.615 ( 0.247 -2.940 -2.341) 3.767 9.813 ( -2.001 -4.039 1.152) 4.652 9.970 ( 2.387 -0.028 -2.392) 3.379 10.209 ( 0.595 -0.364 -0.542) 0.883 10.525 ( -3.629 -2.086 1.698) 4.517 10.650 ( 3.751 -3.245 -1.975) 5.339 11.412 ( 1.074 -2.887 1.299) 3.342 11.498 ( -0.470 -3.511 -1.340) 3.787 11.614 ( -0.020 -0.754 0.863) 1.147 11.782 ( 1.636 -3.123 2.769) 4.482 12.184 ( -1.361 1.834 1.316) 2.636 12.287 ( -1.258 -0.025 -0.203) 1.275 12.981 ( 1.071 -0.164 -1.224) 1.635 13.060 ( 1.026 -1.840 -0.764) 2.241 13.479 ( 0.636 0.660 -0.988) 1.347 13.550 ( -1.879 -0.364 -0.236) 1.928 13.985 ( -1.583 -0.753 2.906) 3.394 14.121 ( 1.844 -2.373 -1.528) 3.371 14.253 ( -0.005 4.277 -1.433) 4.511 14.437 ( -2.080 -0.334 -3.230) 3.856 15.247 ( 6.697 1.547 1.199) 6.978 15.317 ( -5.331 1.711 -0.431) 5.616 15.409 ( 0.718 -0.754 -0.416) 1.121 15.482 ( 0.128 0.333 -0.669) 0.758 15.769 ( -1.706 -0.346 -1.402) 2.236 15.851 ( -0.780 1.114 -0.026) 1.360 15.998 ( 0.708 -3.810 2.183) 4.448 16.264 ( 0.723 -5.181 3.051) 6.056 17.087 ( 0.908 1.065 1.045) 1.747 17.140 ( 0.501 0.349 -0.072) 0.615 19.197 ( -0.233 2.384 2.096) 3.183 19.375 ( 1.513 0.444 -2.256) 2.752 20.987 ( -0.311 0.944 0.053) 0.995 21.088 ( -0.941 -0.662 -0.915) 1.470 21.306 ( -1.291 4.993 -0.335) 5.168 21.632 ( 0.730 -1.673 -0.136) 1.830 22.960 ( -0.729 3.703 -1.018) 3.909 23.174 ( 0.577 -0.490 0.711) 1.039 26.402 ( 0.698 -0.133 0.073) 0.715 26.427 ( 2.426 -0.728 0.066) 2.534 29.563 ( 1.499 -1.284 3.086) 3.663 29.695 ( -3.821 1.061 -3.861) 5.535 30.645 ( 4.851 -3.495 2.746) 6.579 30.822 ( -3.034 -7.622 1.466) 8.334 31.169 ( -1.897 -1.574 0.459) 2.507 31.294 ( -0.775 -1.995 -0.289) 2.160 31.507 ( -4.743 3.364 0.796) 5.869 31.615 ( 6.507 2.688 -3.550) 7.885 32.562 ( -4.518 0.338 1.122) 4.668 32.616 ( 2.021 -0.957 -0.594) 2.314 32.780 ( 7.140 -1.124 4.481) 8.504 32.917 ( -4.056 -4.156 1.065) 5.904 33.969 ( 0.144 1.264 1.008) 1.623 34.115 ( 0.128 -0.422 -3.754) 3.780 35.296 ( -2.207 5.250 2.332) 6.154 35.433 ( 2.639 4.628 -2.360) 5.827 35.870 ( 0.609 1.047 0.814) 1.459 35.945 ( -6.744 -1.212 -0.153) 6.854 36.237 ( 1.119 2.442 0.135) 2.690 36.411 ( -0.318 0.633 1.065) 1.279 38.121 ( 0.119 -2.273 3.488) 4.165 38.454 ( 0.465 -5.545 -5.794) 8.034 ======================= Grid point 106 (53/88) ======================= q-point: ( 0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -3.051 17.485 8.040) 19.485 1.393 ( 7.486 8.410 13.371) 17.481 1.710 ( 3.219 -1.532 0.922) 3.682 1.986 ( -2.266 0.399 3.822) 4.461 2.185 ( 0.838 6.359 4.361) 7.757 2.309 ( 3.988 0.200 3.339) 5.205 2.408 ( 3.873 -0.237 6.900) 7.916 2.555 ( 2.022 2.564 7.224) 7.928 2.622 ( -1.189 6.423 6.186) 8.997 2.880 ( 3.557 4.537 1.672) 6.003 2.950 ( 2.401 -4.744 4.994) 7.294 3.177 ( 0.575 -3.223 -0.737) 3.356 3.298 ( 10.616 -4.394 0.320) 11.494 3.483 ( 4.065 2.048 6.189) 7.682 3.664 ( -0.769 -0.777 -2.843) 3.046 3.821 ( -6.445 1.598 -0.644) 6.671 3.914 ( -5.210 2.912 -5.647) 8.216 4.053 ( 1.958 2.187 -7.862) 8.392 4.230 ( 0.377 7.974 1.570) 8.136 4.337 ( -0.692 7.439 -2.505) 7.879 4.452 ( -1.877 4.392 -2.360) 5.327 4.506 ( 2.325 -0.127 -7.662) 8.008 4.675 ( -3.127 -0.028 -2.601) 4.067 4.911 ( 3.362 5.154 -1.536) 6.342 4.992 ( 3.041 2.275 -4.164) 5.636 5.137 ( -2.544 1.924 0.974) 3.335 5.236 ( 1.533 -1.405 2.509) 3.259 5.409 ( -0.231 2.758 3.334) 4.333 5.616 ( -8.523 -3.635 1.229) 9.347 5.785 ( -4.167 0.287 1.860) 4.572 5.935 ( -3.431 -0.060 0.976) 3.568 6.063 ( -5.150 3.215 0.286) 6.078 6.238 ( -0.094 1.867 1.099) 2.168 6.545 ( -2.176 -5.669 -0.439) 6.088 6.670 ( -1.581 2.073 -2.177) 3.396 6.970 ( 6.322 -1.619 1.169) 6.630 7.236 ( 1.214 2.801 -2.158) 3.738 7.361 ( -3.167 -0.018 0.833) 3.275 7.642 ( -2.817 3.653 0.999) 4.720 7.891 ( -8.611 0.765 -0.065) 8.645 8.169 ( 4.592 -0.286 -3.707) 5.908 8.295 ( 7.135 -3.008 0.518) 7.760 9.048 ( 2.555 -4.894 -0.521) 5.545 9.251 ( -7.062 -0.940 -0.245) 7.129 9.361 ( 0.195 0.382 2.580) 2.616 9.518 ( -0.220 -4.788 0.610) 4.831 9.631 ( 1.384 -3.466 -3.147) 4.882 9.788 ( -0.100 -3.275 2.073) 3.877 10.045 ( 4.306 -2.423 -2.332) 5.464 10.221 ( -0.038 -1.260 0.243) 1.284 10.456 ( -2.652 0.897 0.517) 2.847 10.718 ( 2.902 -4.707 -2.207) 5.953 11.329 ( -9.131 -2.856 0.018) 9.567 11.383 ( -9.356 -2.766 -0.083) 9.757 11.532 ( -4.992 1.036 1.073) 5.210 11.766 ( -2.898 -2.155 0.774) 3.693 12.319 ( 11.116 0.959 1.510) 11.260 12.404 ( 11.130 -0.123 0.205) 11.133 12.970 ( -1.810 -0.231 -1.351) 2.270 13.080 ( 1.350 -2.608 -1.714) 3.400 13.578 ( 7.246 0.760 0.158) 7.288 13.627 ( 8.497 0.401 -3.140) 9.068 13.935 ( -2.005 -1.457 1.437) 2.864 14.102 ( -3.378 -2.075 -1.641) 4.291 14.278 ( 0.733 1.591 -0.788) 1.921 14.378 ( -3.184 -0.262 -1.520) 3.537 15.177 ( -6.489 2.455 -3.507) 7.774 15.269 ( -4.017 -1.297 -0.519) 4.253 15.442 ( 5.572 1.466 1.366) 5.921 15.617 ( 4.272 -0.283 0.285) 4.291 15.780 ( 3.932 0.681 0.391) 4.009 15.858 ( -2.469 -3.577 2.983) 5.272 16.005 ( 6.946 -0.530 -1.276) 7.082 16.290 ( 0.589 -3.255 1.187) 3.515 17.083 ( -1.705 0.536 0.626) 1.894 17.130 ( -1.569 0.364 -0.566) 1.708 19.226 ( 2.748 2.419 1.769) 4.066 19.416 ( 2.381 0.557 -2.462) 3.470 20.973 ( -0.831 -0.274 0.266) 0.915 21.028 ( -4.248 -0.514 0.001) 4.279 21.355 ( 6.117 4.864 -0.551) 7.835 21.712 ( 6.186 -1.735 -0.119) 6.426 22.881 ( -5.941 4.023 -0.295) 7.181 23.147 ( -3.667 -0.822 0.339) 3.774 26.507 ( 10.844 0.385 0.624) 10.869 26.713 ( 22.650 -4.017 -7.597) 24.226 29.281 ( -23.637 0.160 3.624) 23.914 29.455 ( -21.052 -1.297 -3.063) 21.313 30.806 ( 9.195 -3.685 2.692) 10.265 30.887 ( 8.000 -2.919 3.190) 9.094 31.185 ( 3.892 0.712 1.273) 4.157 31.335 ( 4.895 0.232 1.199) 5.045 31.475 ( 0.625 1.533 1.405) 2.172 31.784 ( 9.156 -2.313 -6.538) 11.486 32.345 ( -12.844 0.836 2.256) 13.067 32.535 ( -8.874 -2.787 -0.333) 9.307 32.969 ( 8.979 -1.154 3.207) 9.604 33.025 ( 11.821 -3.073 0.730) 12.235 33.932 ( -3.876 1.090 0.970) 4.141 34.070 ( -4.349 -0.417 -3.668) 5.705 35.271 ( -0.487 4.803 1.549) 5.070 35.501 ( 4.339 5.167 -1.953) 7.024 35.790 ( -4.571 -1.968 2.337) 5.499 35.940 ( 2.482 3.331 1.686) 4.484 36.264 ( 0.797 4.614 -1.102) 4.811 36.411 ( 0.715 -0.158 2.176) 2.296 38.027 ( -7.806 -1.860 5.777) 9.888 38.382 ( -7.231 -5.694 -6.341) 11.177 ======================= Grid point 107 (54/88) ======================= q-point: ( 0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 9.842 15.802 6.263) 19.641 1.584 ( 8.746 0.684 0.819) 8.811 1.798 ( 5.817 -2.468 0.599) 6.347 1.925 ( -2.467 -1.470 5.479) 6.186 2.256 ( 3.601 1.706 -0.795) 4.063 2.343 ( 3.954 8.260 1.090) 9.222 2.487 ( -2.380 -5.674 3.112) 6.895 2.516 ( 1.230 6.508 5.769) 8.784 2.729 ( 6.077 -0.487 6.565) 8.959 2.916 ( 2.010 5.518 4.426) 7.354 3.008 ( 0.930 -1.888 5.518) 5.905 3.119 ( -4.558 0.563 2.468) 5.213 3.354 ( -8.379 -1.825 1.227) 8.663 3.599 ( -1.109 9.925 5.317) 11.314 3.677 ( 3.252 -2.390 -2.752) 4.884 3.732 ( 6.662 2.360 2.397) 7.463 3.892 ( 2.813 2.388 -4.005) 5.446 4.139 ( 3.668 0.420 -5.390) 6.533 4.227 ( -1.424 3.347 -1.014) 3.777 4.301 ( 1.529 5.436 -1.921) 5.965 4.446 ( 1.168 6.722 -1.494) 6.984 4.555 ( 3.761 -1.240 -3.600) 5.351 4.670 ( 2.053 1.743 -6.096) 6.664 4.932 ( -1.765 2.222 -0.284) 2.852 4.992 ( -1.620 2.048 1.161) 2.858 5.083 ( -2.885 -1.531 -2.496) 4.111 5.275 ( 2.331 -1.956 2.234) 3.775 5.358 ( -2.470 0.680 3.908) 4.673 5.519 ( -1.345 1.056 2.622) 3.130 5.760 ( -2.354 -0.292 0.325) 2.394 5.856 ( -3.899 1.763 0.921) 4.377 5.955 ( -4.446 0.928 -0.440) 4.563 6.180 ( -5.022 2.554 -3.082) 6.422 6.383 ( -11.734 -1.342 0.011) 11.810 6.716 ( 5.421 2.669 -3.230) 6.851 7.050 ( 0.064 -2.390 -0.395) 2.423 7.272 ( 0.933 1.428 1.532) 2.293 7.317 ( 0.781 -1.776 -0.357) 1.972 7.594 ( -5.092 2.718 1.570) 5.982 7.738 ( -3.381 2.917 -1.000) 4.576 8.263 ( 4.366 -1.119 -0.072) 4.508 8.441 ( 7.321 -3.944 -0.269) 8.320 9.073 ( -2.238 -4.951 1.404) 5.612 9.139 ( -2.005 -0.076 -2.163) 2.950 9.359 ( -0.592 1.457 0.587) 1.679 9.523 ( 0.892 -5.901 1.104) 6.069 9.659 ( 1.723 -3.275 -3.471) 5.073 9.805 ( 0.372 -2.796 2.338) 3.664 10.116 ( 2.765 -3.285 1.463) 4.536 10.211 ( 1.131 -0.686 0.562) 1.437 10.427 ( -1.116 2.850 -2.370) 3.871 10.762 ( 1.700 -5.291 -1.548) 5.769 11.108 ( -11.764 -2.291 -0.534) 11.997 11.182 ( -10.200 -2.434 1.455) 10.587 11.488 ( 0.007 1.492 0.185) 1.504 11.699 ( -3.271 -0.625 -0.355) 3.349 12.524 ( 8.740 1.194 0.451) 8.832 12.624 ( 9.472 -0.219 0.505) 9.488 12.943 ( -0.556 0.702 -1.011) 1.350 13.110 ( 1.763 -2.676 -2.108) 3.836 13.705 ( 5.287 0.063 3.254) 6.208 13.775 ( 4.981 -0.190 -2.443) 5.551 13.931 ( -1.169 -3.103 -1.532) 3.653 14.065 ( 3.287 0.050 -4.852) 5.860 14.223 ( -5.730 0.541 1.493) 5.945 14.339 ( -0.637 -0.427 -1.758) 1.918 15.044 ( -7.025 1.181 -4.062) 8.200 15.199 ( -3.177 -1.622 -1.588) 3.905 15.548 ( 4.289 0.768 0.688) 4.411 15.611 ( -1.560 1.089 1.505) 2.426 15.763 ( -1.800 -0.410 2.240) 2.903 15.963 ( 7.724 -1.899 3.075) 8.528 16.209 ( 8.256 -2.866 -1.247) 8.828 16.285 ( 2.240 -1.403 -1.888) 3.248 17.023 ( -4.159 0.159 0.553) 4.199 17.072 ( -4.103 0.070 -0.915) 4.205 19.293 ( 3.612 2.291 1.610) 4.571 19.452 ( 1.092 0.503 -1.643) 2.035 20.941 ( -2.612 -0.721 0.268) 2.723 20.965 ( -1.693 -0.608 -0.143) 1.805 21.520 ( 10.019 4.386 -0.932) 10.977 21.839 ( 5.835 -1.213 0.638) 5.994 22.770 ( -4.477 3.686 -0.515) 5.822 23.037 ( -7.078 -0.808 0.281) 7.130 26.804 ( 18.164 1.249 2.154) 18.334 27.183 ( 23.452 -5.735 -13.113) 27.474 28.783 ( -25.484 1.049 3.291) 25.717 28.967 ( -25.337 -1.123 -2.792) 25.515 30.973 ( 7.368 -1.308 2.042) 7.757 31.050 ( 6.984 -1.822 3.798) 8.156 31.312 ( 8.042 0.741 1.088) 8.149 31.467 ( 6.245 1.436 3.331) 7.221 31.519 ( 4.911 -0.110 1.584) 5.161 31.907 ( 2.938 -4.153 -4.255) 6.632 32.105 ( -11.029 1.002 1.192) 11.138 32.343 ( -9.813 -3.690 1.739) 10.627 33.170 ( 10.666 -0.681 1.766) 10.833 33.239 ( 9.678 -2.016 0.827) 9.920 33.827 ( -6.493 0.753 1.197) 6.646 33.951 ( -7.262 -0.557 -3.352) 8.017 35.276 ( 0.860 4.479 0.206) 4.565 35.584 ( 3.333 5.441 1.412) 6.535 35.748 ( 0.455 -2.135 -0.806) 2.327 35.980 ( 0.987 4.175 0.136) 4.292 36.250 ( -1.720 6.837 -0.255) 7.054 36.459 ( 3.908 -1.838 3.490) 5.553 37.891 ( -5.548 -2.608 5.200) 8.039 38.191 ( -10.693 -5.540 -5.778) 13.357 ======================= Grid point 108 (55/88) ======================= q-point: ( 0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.901 4.658 6.955) 9.235 1.623 ( -2.198 -3.275 -0.961) 4.060 1.826 ( -0.632 0.478 1.578) 1.765 2.053 ( 8.470 5.531 0.401) 10.124 2.219 ( -6.673 -2.276 -1.139) 7.142 2.366 ( -1.319 -0.053 4.994) 5.166 2.486 ( 2.540 -0.635 1.964) 3.273 2.637 ( 6.774 0.993 3.897) 7.877 2.828 ( 5.095 5.338 1.122) 7.464 2.921 ( -2.400 6.285 1.381) 6.868 2.950 ( -1.143 3.794 -1.258) 4.157 3.120 ( -3.224 -1.967 -2.556) 4.560 3.194 ( -1.276 2.580 7.692) 8.212 3.453 ( -3.380 9.926 2.272) 10.729 3.774 ( 2.902 -2.912 -2.244) 4.684 3.907 ( 2.954 1.904 -4.824) 5.969 3.987 ( 4.836 2.637 2.423) 6.018 4.074 ( -2.263 0.479 2.075) 3.107 4.277 ( 4.670 1.328 -1.470) 5.073 4.394 ( 4.268 4.028 2.047) 6.215 4.467 ( -1.455 5.507 -0.446) 5.713 4.572 ( -0.765 0.783 -1.596) 1.935 4.741 ( 3.668 -1.594 -0.637) 4.049 4.894 ( -1.007 0.575 0.818) 1.419 4.967 ( -2.238 0.793 1.795) 2.976 5.051 ( 0.817 -1.418 0.427) 1.691 5.311 ( -1.131 0.286 0.600) 1.312 5.339 ( -1.421 -0.994 1.837) 2.526 5.484 ( -0.369 1.164 0.869) 1.499 5.669 ( -4.126 3.292 3.921) 6.575 5.825 ( 1.055 1.236 -4.363) 4.656 5.909 ( -0.982 -0.578 -1.514) 1.895 6.088 ( -4.177 3.004 -4.147) 6.608 6.178 ( -6.247 3.090 -2.616) 7.445 6.842 ( 6.283 1.710 -3.774) 7.526 6.992 ( -4.005 -0.466 -1.059) 4.169 7.215 ( -4.433 1.938 2.149) 5.294 7.394 ( 3.729 -1.028 1.328) 4.090 7.516 ( -0.302 -1.199 1.960) 2.318 7.711 ( -1.550 0.838 -2.029) 2.688 8.339 ( 2.931 -1.483 1.544) 3.630 8.559 ( 4.233 -4.462 -1.314) 6.289 8.988 ( -4.520 -1.683 1.970) 5.210 9.133 ( -0.602 -2.157 -1.665) 2.790 9.354 ( 0.481 -0.262 -0.534) 0.765 9.545 ( 0.714 -5.044 0.382) 5.109 9.706 ( 2.777 -2.163 -2.905) 4.564 9.758 ( -3.793 -2.153 1.760) 4.703 10.193 ( 5.512 -1.628 1.955) 6.071 10.298 ( 4.971 -0.659 1.198) 5.156 10.405 ( 1.214 1.638 -1.944) 2.817 10.737 ( -6.596 -5.328 -1.635) 8.635 10.909 ( -7.081 -1.333 0.381) 7.216 11.037 ( -2.886 -2.969 1.190) 4.308 11.506 ( 1.165 1.252 -0.381) 1.752 11.648 ( -1.917 0.273 -0.239) 1.951 12.641 ( 3.111 1.578 -0.893) 3.601 12.747 ( 3.092 0.338 0.561) 3.161 12.944 ( 0.347 1.050 -0.858) 1.400 13.146 ( 1.539 -2.196 -1.354) 3.004 13.770 ( 2.154 -2.596 1.347) 3.632 13.815 ( -1.798 -3.776 -0.590) 4.224 13.944 ( 2.984 3.450 1.299) 4.743 14.055 ( -3.553 1.957 1.311) 4.262 14.201 ( 3.177 -0.488 -4.407) 5.455 14.352 ( 1.742 -1.976 -4.864) 5.531 14.907 ( -5.952 0.624 -2.887) 6.644 15.147 ( -1.280 -1.175 -1.562) 2.336 15.586 ( 0.118 1.075 0.203) 1.100 15.620 ( 1.443 -0.018 -1.176) 1.861 15.779 ( 3.424 -0.511 3.715) 5.078 16.004 ( -3.755 -5.076 3.073) 7.023 16.276 ( 3.590 0.739 -1.666) 4.026 16.430 ( 5.920 -1.887 -1.016) 6.296 16.934 ( -4.144 0.402 0.187) 4.167 16.993 ( -2.974 -0.625 -0.592) 3.096 19.358 ( 2.646 1.902 1.516) 3.594 19.452 ( -0.968 0.632 -1.015) 1.538 20.900 ( -1.590 -0.283 0.843) 1.822 20.943 ( -0.210 -0.797 -0.897) 1.218 21.708 ( 7.722 3.478 -1.162) 8.548 21.903 ( 0.166 -0.058 0.488) 0.519 22.738 ( 1.777 2.397 0.263) 2.995 22.893 ( -6.856 -0.111 -0.074) 6.857 27.150 ( 13.544 1.650 3.909) 14.193 27.533 ( 9.549 -4.631 -11.894) 15.940 28.353 ( -15.606 1.422 2.273) 15.835 28.570 ( -10.976 -1.377 -5.090) 12.176 31.087 ( 3.745 -0.829 2.112) 4.379 31.143 ( 2.055 -1.680 2.224) 3.463 31.459 ( 5.769 1.017 0.698) 5.900 31.526 ( 0.937 -0.517 4.656) 4.777 31.666 ( 6.511 0.619 0.844) 6.595 31.896 ( -2.890 -0.217 1.239) 3.152 31.946 ( -4.647 -1.753 -1.351) 5.148 32.183 ( -5.443 -3.874 4.164) 7.873 33.358 ( 6.471 -1.130 2.001) 6.867 33.400 ( 6.501 -0.642 -1.209) 6.643 33.701 ( -5.360 0.262 1.498) 5.571 33.807 ( -5.785 -0.584 -2.619) 6.377 35.299 ( 1.401 4.188 -1.236) 4.585 35.607 ( -1.063 3.895 5.429) 6.766 35.806 ( 4.911 -0.225 -4.056) 6.373 35.962 ( -2.742 5.633 -3.762) 7.308 36.231 ( 0.300 4.783 2.631) 5.467 36.549 ( 4.443 -1.860 3.810) 6.142 37.793 ( -5.888 -3.129 -0.345) 6.677 38.031 ( -2.997 -5.628 -1.897) 6.652 ======================= Grid point 109 (56/88) ======================= q-point: (-0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -9.526 -6.962 3.836) 12.407 1.627 ( -1.341 -0.123 1.871) 2.305 1.845 ( 1.342 7.977 1.444) 8.217 2.014 ( -6.790 0.183 4.093) 7.930 2.090 ( -6.447 6.981 0.726) 9.530 2.391 ( -0.836 -3.246 0.115) 3.354 2.529 ( 2.426 -2.808 6.049) 7.096 2.691 ( 2.286 1.311 5.308) 5.926 2.770 ( -10.206 3.697 -0.940) 10.895 2.924 ( 1.320 5.005 1.054) 5.282 3.019 ( 9.003 4.626 2.127) 10.343 3.109 ( -0.150 7.461 4.958) 8.960 3.304 ( 10.341 -1.954 -7.811) 13.106 3.477 ( 3.396 3.565 1.695) 5.208 3.763 ( -3.884 -0.624 -3.831) 5.491 3.906 ( 0.923 0.585 0.183) 1.108 3.991 ( -3.527 3.952 -0.875) 5.369 4.122 ( 1.768 1.546 -1.840) 2.984 4.240 ( -10.167 1.389 7.779) 12.877 4.388 ( 2.741 -0.389 0.997) 2.943 4.497 ( 1.599 5.802 -5.673) 8.271 4.584 ( -2.193 2.535 -0.803) 3.447 4.747 ( -1.297 1.823 4.165) 4.728 4.869 ( -3.174 3.677 -6.201) 7.878 4.940 ( 0.025 -2.265 3.558) 4.218 5.033 ( -1.739 -2.693 1.962) 3.758 5.265 ( -1.525 -3.136 1.748) 3.901 5.305 ( -0.243 1.744 2.362) 2.947 5.534 ( 3.729 2.684 -1.860) 4.957 5.649 ( 1.346 3.551 4.591) 5.958 5.854 ( -0.424 1.700 -0.009) 1.752 5.922 ( 4.863 0.962 -4.743) 6.860 6.041 ( 1.252 2.394 -2.617) 3.761 6.174 ( 3.839 1.167 -2.410) 4.680 6.864 ( -3.422 1.224 -2.856) 4.622 6.963 ( -0.326 2.414 -2.581) 3.549 7.195 ( 3.933 1.052 2.240) 4.647 7.472 ( 4.612 -1.700 -0.418) 4.933 7.550 ( 2.348 -1.597 3.315) 4.365 7.657 ( -3.182 0.048 -2.175) 3.855 8.347 ( -2.881 -1.824 1.244) 3.629 8.591 ( -1.386 -5.975 -2.329) 6.561 8.938 ( 0.310 -1.220 2.875) 3.138 9.094 ( -2.976 0.999 -0.305) 3.154 9.383 ( 2.360 -4.398 -0.800) 5.055 9.531 ( -1.777 -2.608 -0.655) 3.223 9.664 ( -2.226 -0.270 0.858) 2.401 9.824 ( 6.064 -2.966 -1.376) 6.889 10.250 ( -2.834 -1.270 1.040) 3.274 10.351 ( 5.251 -0.359 -3.593) 6.373 10.481 ( -6.838 -2.500 -0.684) 7.313 10.598 ( 3.260 -3.928 1.086) 5.219 10.840 ( 1.395 0.728 2.807) 3.218 11.075 ( 5.356 -3.595 -0.061) 6.451 11.517 ( -0.061 0.871 -0.681) 1.108 11.622 ( -0.563 0.472 0.415) 0.844 12.654 ( -1.625 1.661 -1.243) 2.635 12.752 ( -2.842 0.414 0.439) 2.906 12.940 ( -0.552 0.797 -0.811) 1.264 13.143 ( -1.798 -2.252 -1.242) 3.138 13.760 ( -4.361 -1.621 1.056) 4.771 13.821 ( 2.617 -3.051 -0.364) 4.036 13.891 ( -1.672 1.952 1.483) 2.967 14.126 ( 2.474 -0.213 1.133) 2.729 14.244 ( 2.211 -1.442 -3.779) 4.609 14.357 ( -0.012 1.378 -7.500) 7.625 14.847 ( 0.733 1.419 -0.119) 1.601 15.162 ( 2.439 -1.579 -2.790) 4.028 15.586 ( -0.009 0.639 -0.108) 0.648 15.628 ( -0.166 0.171 -1.040) 1.066 15.826 ( -2.417 -0.462 0.983) 2.650 15.972 ( 4.616 -5.789 5.167) 9.028 16.270 ( -5.447 0.366 -1.382) 5.631 16.438 ( -5.380 -1.956 -1.056) 5.821 16.906 ( 1.939 0.805 0.569) 2.175 16.984 ( 2.064 -1.110 -0.071) 2.345 19.381 ( -1.155 1.273 1.859) 2.532 19.422 ( -1.307 0.852 -1.074) 1.893 20.880 ( -0.157 0.261 0.905) 0.955 20.963 ( 2.031 -0.891 -0.863) 2.380 21.730 ( -6.276 3.369 -1.934) 7.381 21.902 ( 0.509 0.348 0.647) 0.894 22.778 ( -1.618 1.764 -1.223) 2.688 22.851 ( 6.486 0.437 1.271) 6.624 27.179 ( -11.260 1.097 4.971) 12.358 27.437 ( -16.836 -2.983 -10.414) 20.020 28.337 ( 14.721 2.301 2.145) 15.053 28.640 ( 16.100 -2.503 -7.054) 17.755 31.084 ( -4.841 -0.944 2.275) 5.432 31.146 ( -1.411 -1.520 2.156) 2.991 31.472 ( -4.459 -1.036 1.548) 4.833 31.535 ( -0.593 0.083 2.306) 2.382 31.703 ( -2.981 0.798 0.317) 3.102 31.829 ( -3.382 -1.487 1.836) 4.126 31.960 ( 6.567 0.812 -0.061) 6.617 32.179 ( 4.476 -3.855 4.449) 7.395 33.336 ( -7.450 -0.201 1.079) 7.530 33.430 ( -5.748 -1.417 -0.603) 5.951 33.689 ( 5.109 0.478 1.789) 5.434 33.806 ( 5.746 -0.683 -2.562) 6.328 35.326 ( 1.340 3.998 -2.255) 4.782 35.559 ( -3.929 4.162 5.235) 7.756 35.893 ( -2.699 5.378 -3.019) 6.732 35.911 ( 4.986 0.359 -4.447) 6.691 36.258 ( 1.835 2.540 2.562) 4.048 36.607 ( 0.311 -2.384 1.587) 2.881 37.691 ( -2.180 -1.829 1.816) 3.376 38.077 ( 6.227 -5.724 -2.374) 8.786 ======================= Grid point 110 (57/88) ======================= q-point: (-0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -6.770 -0.587 6.696) 9.540 1.607 ( -2.172 -3.030 4.147) 5.577 1.820 ( -8.334 2.091 4.753) 9.819 1.873 ( -1.013 10.539 -0.490) 10.599 2.066 ( 2.672 7.467 0.121) 7.931 2.341 ( -4.597 4.529 1.635) 6.657 2.462 ( -4.733 -9.382 11.694) 15.722 2.640 ( -3.834 0.162 2.869) 4.792 2.767 ( -1.611 5.799 4.151) 7.311 2.921 ( 1.116 -0.046 3.082) 3.278 3.146 ( 2.602 1.588 1.977) 3.633 3.187 ( 4.728 6.402 0.346) 7.966 3.399 ( 3.038 -1.022 0.251) 3.215 3.501 ( -3.574 -1.553 5.517) 6.754 3.730 ( -2.488 3.928 -2.495) 5.277 3.777 ( -9.002 3.075 0.366) 9.519 3.980 ( 2.225 1.945 -1.721) 3.420 4.074 ( -2.800 5.037 -1.194) 5.885 4.188 ( 0.527 2.583 -2.431) 3.586 4.351 ( -5.887 -3.534 -4.363) 8.135 4.411 ( -4.211 3.321 -6.312) 8.282 4.581 ( 0.913 5.365 -4.717) 7.202 4.737 ( 0.260 3.493 1.269) 3.725 4.811 ( -1.556 1.692 -5.447) 5.912 4.918 ( -0.055 -3.200 1.592) 3.574 5.045 ( -0.189 0.030 0.228) 0.298 5.228 ( -0.175 3.803 3.876) 5.433 5.390 ( 5.656 -4.107 6.133) 9.298 5.606 ( 3.552 3.800 -3.279) 6.149 5.708 ( 4.470 2.224 4.257) 6.562 5.896 ( 4.321 0.960 -0.209) 4.431 6.006 ( 3.626 4.841 -1.795) 6.309 6.124 ( 6.547 -0.650 -2.057) 6.893 6.265 ( 4.533 -1.742 3.561) 6.022 6.778 ( -4.635 3.879 -3.897) 7.191 6.949 ( -0.378 1.058 -0.358) 1.179 7.310 ( 5.576 -0.867 -0.275) 5.649 7.454 ( -6.725 -2.853 -1.633) 7.485 7.647 ( 5.247 1.542 -0.075) 5.469 7.687 ( 9.322 0.791 0.667) 9.379 8.226 ( -9.082 -1.027 0.895) 9.183 8.500 ( -6.835 -6.526 -2.165) 9.695 8.979 ( 0.909 -2.249 2.034) 3.166 9.066 ( 2.517 2.331 1.984) 3.963 9.427 ( 1.754 -5.872 -0.823) 6.183 9.525 ( 1.886 -1.038 -1.553) 2.655 9.641 ( -0.708 -2.017 0.476) 2.190 9.920 ( 2.894 -3.281 -2.380) 4.980 10.131 ( -9.126 -1.331 1.665) 9.372 10.287 ( -7.188 -1.707 -2.341) 7.750 10.468 ( 5.558 -1.062 -3.974) 6.915 10.639 ( -1.033 -3.414 2.994) 4.657 11.028 ( 14.749 0.505 2.298) 14.935 11.212 ( 7.870 -2.923 -0.335) 8.402 11.519 ( 1.109 0.291 -0.546) 1.270 11.635 ( 1.996 -0.292 1.469) 2.495 12.571 ( -6.916 0.671 -1.227) 7.056 12.620 ( -10.304 0.317 1.001) 10.357 12.942 ( 1.014 0.076 -1.236) 1.601 13.092 ( -2.856 -2.515 -1.568) 4.116 13.640 ( -6.856 1.398 1.481) 7.152 13.862 ( 1.776 -2.615 -0.636) 3.224 13.934 ( 1.040 -1.930 -2.362) 3.222 14.018 ( -6.391 -4.197 -1.175) 7.736 14.309 ( 1.637 3.937 -3.717) 5.656 14.399 ( 4.059 1.417 -3.724) 5.688 14.929 ( 6.623 2.310 1.320) 7.137 15.207 ( 2.144 -1.587 -2.856) 3.908 15.562 ( -2.954 -0.007 -0.523) 3.000 15.646 ( 1.659 0.071 -0.011) 1.661 15.778 ( 0.098 0.418 1.624) 1.680 16.051 ( -7.524 -0.836 0.177) 7.573 16.141 ( 1.897 -5.097 2.930) 6.178 16.251 ( -11.840 -3.053 -1.549) 12.325 16.982 ( 4.505 0.791 1.006) 4.683 17.047 ( 3.606 -0.740 0.367) 3.700 19.320 ( -4.269 1.169 1.642) 4.721 19.400 ( -1.430 0.516 -0.694) 1.671 20.904 ( 2.528 0.791 0.764) 2.757 21.013 ( 2.930 -0.912 -0.686) 3.144 21.553 ( -9.804 4.617 -2.030) 11.025 21.854 ( -5.807 -0.885 0.162) 5.876 22.795 ( 3.836 3.401 -1.691) 5.398 23.006 ( 7.782 -0.436 1.074) 7.868 26.859 ( -18.232 0.303 3.895) 18.646 27.009 ( -23.679 -2.149 -9.621) 25.650 28.774 ( 26.036 2.551 2.498) 26.280 29.057 ( 24.564 -2.590 -5.693) 25.347 30.927 ( -10.561 -0.615 3.553) 11.159 31.078 ( -5.516 -2.247 2.697) 6.538 31.352 ( -6.877 -2.333 0.313) 7.269 31.472 ( -5.333 -1.510 1.542) 5.753 31.610 ( -4.647 2.780 0.548) 5.443 31.775 ( -3.580 -1.510 -0.248) 3.893 32.152 ( 12.068 0.425 0.553) 12.088 32.310 ( 7.627 -2.923 2.605) 8.573 33.143 ( -11.322 0.030 1.820) 11.468 33.259 ( -9.945 -1.717 0.799) 10.124 33.819 ( 6.565 0.788 1.584) 6.799 33.949 ( 7.511 -0.690 -3.420) 8.282 35.349 ( 1.113 4.081 -2.564) 4.946 35.470 ( -4.997 5.234 3.977) 8.257 35.850 ( -1.073 3.019 -2.907) 4.326 36.005 ( 4.124 0.617 -2.004) 4.627 36.290 ( 0.778 1.192 1.020) 1.751 36.544 ( -6.201 -3.225 -1.635) 7.178 37.761 ( 8.938 -0.142 7.776) 11.847 38.230 ( 8.717 -5.474 -4.758) 11.340 ======================= Grid point 111 (58/88) ======================= q-point: (-0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 5.489 5.197 12.901) 14.953 1.485 ( -6.368 2.820 13.368) 15.074 1.749 ( 0.142 4.124 4.521) 6.121 1.833 ( -5.277 8.461 0.039) 9.972 2.105 ( 0.565 5.470 -1.130) 5.614 2.298 ( 0.668 -1.704 1.990) 2.703 2.404 ( 1.250 2.457 7.212) 7.721 2.619 ( 0.833 -1.099 6.116) 6.270 2.702 ( -3.627 7.499 9.752) 12.825 2.901 ( -6.517 0.104 2.206) 6.881 2.960 ( -13.105 -2.132 -0.406) 13.283 3.256 ( -3.691 3.515 5.432) 7.449 3.316 ( -8.223 -0.363 1.641) 8.392 3.501 ( -5.683 -4.678 -0.479) 7.376 3.680 ( 13.545 2.760 4.285) 14.472 3.782 ( 0.155 2.033 -4.967) 5.369 3.924 ( -2.155 5.195 -2.938) 6.345 4.048 ( -2.062 -0.814 -7.995) 8.296 4.238 ( 4.906 2.366 -1.304) 5.600 4.304 ( 0.448 2.568 -5.717) 6.283 4.386 ( 0.423 3.257 -4.278) 5.393 4.571 ( -1.619 2.449 -4.390) 5.282 4.741 ( 1.352 8.459 -4.125) 9.508 4.834 ( 2.083 1.493 -1.758) 3.108 4.919 ( -1.329 -0.588 -1.316) 1.961 5.028 ( 1.322 -1.126 1.431) 2.251 5.243 ( 0.214 4.328 4.809) 6.473 5.467 ( 0.798 -3.322 5.336) 6.336 5.644 ( 0.824 2.722 1.500) 3.216 5.845 ( 8.668 1.323 -1.203) 8.851 5.994 ( 4.162 -1.130 -2.500) 4.985 6.069 ( 2.971 5.305 -0.376) 6.092 6.221 ( 2.013 0.809 0.238) 2.182 6.370 ( 5.750 -4.784 5.272) 9.151 6.706 ( -1.290 3.126 -1.770) 3.817 6.930 ( -2.313 0.909 -0.934) 2.655 7.301 ( -6.155 -0.060 -2.144) 6.518 7.391 ( 1.963 -0.212 0.513) 2.040 7.770 ( 6.415 0.464 -3.905) 7.525 7.909 ( 11.467 0.404 0.940) 11.513 8.019 ( -10.416 0.615 1.529) 10.545 8.351 ( -7.841 -4.770 -2.232) 9.446 8.981 ( 0.636 -2.395 0.723) 2.581 9.172 ( 6.069 -0.609 3.431) 6.998 9.458 ( 1.420 -4.734 -0.815) 5.009 9.568 ( 0.877 -3.812 -2.664) 4.732 9.626 ( -1.031 -2.698 -0.554) 2.941 9.891 ( -6.266 -3.963 -0.228) 7.418 9.977 ( -3.072 1.525 -1.327) 3.677 10.212 ( -1.311 -0.882 -0.212) 1.594 10.555 ( 2.677 -2.936 -2.957) 4.953 10.607 ( -1.191 -1.690 2.346) 3.127 11.303 ( 10.237 -2.048 0.326) 10.445 11.372 ( 9.428 -2.045 0.693) 9.672 11.571 ( 3.345 -0.491 -0.591) 3.432 11.704 ( 4.705 -1.666 3.098) 5.875 12.361 ( -13.111 0.152 0.486) 13.121 12.419 ( -9.398 -0.466 -0.717) 9.436 12.965 ( 0.760 0.115 -1.628) 1.800 13.048 ( -0.772 -2.054 -0.493) 2.249 13.520 ( -4.625 0.985 -0.117) 4.730 13.716 ( -12.015 -4.098 -3.635) 13.205 13.959 ( 3.448 -1.370 1.259) 3.918 14.057 ( 3.998 -1.642 -0.158) 4.325 14.294 ( -2.579 5.345 -2.901) 6.605 14.450 ( 0.940 0.702 -3.332) 3.532 15.079 ( 8.399 2.066 1.622) 8.800 15.274 ( 5.260 -1.499 -1.329) 5.628 15.472 ( -5.919 1.579 -0.024) 6.126 15.614 ( -6.223 0.258 0.131) 6.230 15.813 ( -2.307 0.121 -0.493) 2.362 15.912 ( 2.818 -0.500 0.716) 2.950 15.986 ( -11.381 -1.409 -1.974) 11.637 16.242 ( 2.758 -8.213 4.559) 9.790 17.054 ( 2.528 0.872 1.210) 2.935 17.110 ( 2.527 -0.014 0.234) 2.538 19.237 ( -3.694 1.709 2.045) 4.555 19.371 ( -0.994 0.338 -1.274) 1.651 20.964 ( 2.724 0.968 0.178) 2.896 21.069 ( 2.449 -0.742 -0.638) 2.638 21.385 ( -6.522 5.311 -1.599) 8.562 21.708 ( -7.439 -1.375 -0.234) 7.569 22.900 ( 5.686 3.875 -1.018) 6.955 23.129 ( 4.264 -0.626 0.414) 4.330 26.540 ( -13.602 -0.255 0.971) 13.639 26.581 ( -16.578 -0.631 -2.976) 16.855 29.273 ( 22.786 1.858 2.433) 22.991 29.524 ( 20.389 -2.287 -4.858) 21.084 30.709 ( -10.158 -1.368 4.488) 11.189 30.945 ( -7.619 -4.885 2.634) 9.426 31.234 ( -4.648 -2.569 -0.269) 5.317 31.358 ( -5.312 -2.942 0.209) 6.076 31.557 ( -0.474 3.569 -0.191) 3.606 31.655 ( -8.177 1.076 -2.059) 8.500 32.414 ( 14.023 -0.627 0.777) 14.059 32.465 ( 7.844 -1.363 1.469) 8.096 32.910 ( -12.099 0.083 3.228) 12.522 33.067 ( -9.319 -2.799 1.110) 9.794 33.926 ( 3.973 1.157 1.181) 4.303 34.070 ( 4.585 -0.555 -3.632) 5.875 35.348 ( -2.285 5.262 0.968) 5.818 35.404 ( -0.307 4.510 -0.469) 4.545 35.847 ( 0.748 2.167 -1.129) 2.555 36.049 ( -0.800 -1.295 -2.158) 2.641 36.262 ( -3.519 0.529 -0.522) 3.597 36.432 ( -3.033 -0.932 0.323) 3.190 37.990 ( 11.474 -1.054 6.599) 13.278 38.383 ( 6.461 -5.236 -5.596) 10.024 ======================= Grid point 112 (59/88) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.136 5.307 8.719) 10.428 1.601 ( 4.143 -0.966 2.401) 4.885 1.854 ( -4.139 10.968 18.125) 21.586 2.028 ( 1.345 2.620 7.655) 8.202 2.142 ( 3.193 4.075 6.785) 8.535 2.355 ( 4.510 5.361 6.677) 9.678 2.469 ( -6.836 -2.198 5.552) 9.077 2.526 ( 1.127 -4.439 -2.273) 5.113 2.658 ( 0.067 -0.410 -0.333) 0.533 2.817 ( 0.438 -2.310 -3.628) 4.324 3.007 ( -1.845 8.431 0.268) 8.635 3.127 ( -4.330 -1.824 2.538) 5.340 3.180 ( -2.501 3.959 -2.813) 5.463 3.482 ( -0.559 3.009 5.916) 6.661 3.730 ( -2.082 -0.774 -1.859) 2.897 3.875 ( 3.352 1.258 -3.458) 4.978 3.996 ( 0.410 1.726 -4.911) 5.222 4.055 ( 2.317 0.412 -0.079) 2.355 4.326 ( 1.977 1.616 0.862) 2.695 4.414 ( 1.436 1.536 -2.492) 3.260 4.523 ( 3.220 8.496 -0.867) 9.127 4.598 ( -3.499 5.265 -1.514) 6.500 4.782 ( -5.028 -0.003 -1.426) 5.226 4.972 ( 4.581 -1.368 1.590) 5.038 5.026 ( 1.915 5.399 -1.697) 5.975 5.104 ( 2.386 7.307 -4.791) 9.058 5.326 ( -2.461 2.930 5.738) 6.897 5.395 ( 1.307 -2.900 3.778) 4.939 5.671 ( -2.785 1.878 -2.461) 4.164 5.875 ( -0.575 -6.113 -5.518) 8.255 6.021 ( -4.701 3.981 -0.295) 6.167 6.176 ( 0.816 1.286 -0.527) 1.611 6.263 ( 0.240 1.294 4.358) 4.553 6.363 ( 5.070 -4.347 2.758) 7.226 6.746 ( -1.047 1.754 -0.473) 2.097 6.867 ( -1.316 -2.231 -2.472) 3.580 7.305 ( 0.167 4.149 -3.118) 5.193 7.410 ( -0.039 -0.737 -1.393) 1.577 7.784 ( -3.941 2.486 0.258) 4.667 7.923 ( 0.949 -2.249 -0.089) 2.442 8.095 ( 3.296 -0.397 0.976) 3.460 8.181 ( 0.120 -2.185 -2.011) 2.971 8.932 ( 0.485 -1.567 0.552) 1.731 9.173 ( 1.675 -9.056 -0.073) 9.210 9.381 ( 0.876 -0.547 -0.844) 1.334 9.451 ( -2.076 -3.424 -0.982) 4.123 9.606 ( -0.905 1.233 -1.350) 2.040 9.727 ( -2.109 -4.291 0.553) 4.813 9.973 ( 0.210 0.939 0.309) 1.011 10.146 ( -0.232 -5.701 0.461) 5.724 10.504 ( -0.852 0.501 0.055) 0.990 10.587 ( 1.500 -2.844 -0.666) 3.284 11.360 ( 0.628 -1.739 0.395) 1.891 11.416 ( 0.098 -4.065 -1.165) 4.230 11.612 ( -0.022 0.722 0.545) 0.905 11.710 ( 0.779 -3.682 1.719) 4.137 12.223 ( -0.888 1.876 1.417) 2.513 12.279 ( -0.285 -0.802 0.567) 1.023 12.981 ( 0.086 0.272 -1.696) 1.720 13.022 ( 0.787 -1.732 -1.902) 2.690 13.498 ( 1.278 1.180 -1.481) 2.284 13.541 ( 0.259 -0.648 -0.999) 1.219 13.982 ( -1.147 0.596 0.726) 1.483 14.064 ( 0.543 -3.028 -1.684) 3.507 14.336 ( -1.778 3.666 -2.467) 4.763 14.425 ( -2.737 -0.961 -3.349) 4.431 15.286 ( 5.601 2.414 2.897) 6.752 15.356 ( 0.443 0.740 0.050) 0.864 15.411 ( -2.244 1.689 -0.819) 2.926 15.482 ( -1.870 -0.528 -0.607) 2.036 15.762 ( -1.544 -0.136 -0.227) 1.567 15.830 ( -1.894 -3.048 0.520) 3.626 15.975 ( 1.815 2.078 2.228) 3.546 16.151 ( 2.886 -5.739 3.327) 7.234 17.111 ( 0.816 1.257 0.633) 1.627 17.143 ( 0.648 -0.100 0.073) 0.659 19.258 ( 0.170 3.405 1.901) 3.903 19.367 ( 1.385 -1.317 -0.491) 1.973 21.013 ( -0.705 1.538 -0.185) 1.702 21.070 ( -0.978 -1.091 -0.961) 1.752 21.415 ( -1.186 5.369 -0.618) 5.534 21.585 ( 0.225 -3.009 -0.166) 3.022 23.043 ( -0.454 4.094 -1.219) 4.296 23.156 ( 0.348 -1.436 0.142) 1.484 26.400 ( 0.426 -0.037 0.032) 0.429 26.412 ( 0.928 -0.675 0.066) 1.149 29.567 ( -0.526 1.827 1.169) 2.231 29.688 ( -2.138 -1.931 -5.102) 5.859 30.578 ( 3.120 -2.282 3.247) 5.048 30.668 ( -1.255 -6.579 4.662) 8.160 31.175 ( -0.504 1.585 0.185) 1.673 31.254 ( -0.082 -1.936 -0.204) 1.949 31.568 ( -2.438 2.934 0.917) 3.924 31.648 ( 2.512 0.165 -2.754) 3.731 32.571 ( -2.935 0.509 0.679) 3.055 32.596 ( 2.445 -0.874 -0.339) 2.618 32.763 ( 3.397 -0.229 4.244) 5.441 32.836 ( -3.263 -3.581 2.756) 5.573 34.004 ( 0.145 2.170 0.014) 2.175 34.094 ( 0.184 -1.703 -3.075) 3.519 35.432 ( -2.678 7.785 2.610) 8.637 35.547 ( 2.964 5.750 -2.007) 6.773 35.833 ( -5.197 -3.744 2.579) 6.904 35.915 ( 0.625 -3.080 -0.689) 3.217 36.286 ( 1.408 3.537 4.255) 5.709 36.425 ( 0.865 -0.366 0.817) 1.245 38.103 ( 0.108 1.234 -0.788) 1.468 38.316 ( 0.130 -7.568 -6.259) 9.822 ======================= Grid point 113 (60/88) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 3.261 4.664 5.582) 7.972 1.631 ( -0.566 -0.111 3.295) 3.345 1.774 ( -2.268 9.809 8.855) 13.408 1.999 ( -2.055 0.579 8.939) 9.191 2.225 ( 0.575 -1.899 1.103) 2.271 2.339 ( -1.299 0.016 5.275) 5.433 2.452 ( 3.022 5.467 3.417) 7.120 2.603 ( 6.476 2.038 3.535) 7.654 2.738 ( 2.207 -0.367 3.323) 4.007 2.868 ( 3.277 1.223 6.982) 7.809 2.954 ( 2.030 3.690 0.402) 4.231 3.117 ( 4.584 0.864 -2.439) 5.264 3.329 ( 10.100 3.564 -4.376) 11.570 3.484 ( 1.222 -2.925 6.881) 7.576 3.670 ( -2.885 2.049 2.206) 4.170 3.857 ( -3.963 0.247 -0.385) 3.989 4.037 ( 2.586 7.548 -4.189) 9.012 4.087 ( 1.934 2.308 -5.098) 5.921 4.326 ( -2.280 1.751 -0.737) 2.967 4.433 ( 1.654 -1.413 -4.439) 4.944 4.521 ( -4.161 5.617 -3.567) 7.848 4.581 ( 1.342 7.246 -0.603) 7.394 4.692 ( -2.488 1.169 -0.491) 2.792 4.989 ( -2.752 -4.513 0.333) 5.296 5.057 ( 0.557 4.967 -0.122) 5.000 5.148 ( 1.312 6.092 -3.646) 7.220 5.250 ( -2.184 -0.078 5.743) 6.145 5.422 ( -2.630 -2.542 2.309) 4.325 5.593 ( -3.223 2.522 -2.534) 4.813 5.782 ( -4.937 -2.571 0.585) 5.597 5.952 ( -2.220 4.152 -0.429) 4.728 6.127 ( -5.297 1.908 -0.011) 5.630 6.280 ( -0.292 1.952 1.618) 2.552 6.415 ( -0.613 -6.387 1.611) 6.616 6.729 ( 0.952 3.773 -2.374) 4.558 6.915 ( 4.423 -3.923 -0.800) 5.966 7.289 ( -1.180 2.324 -2.169) 3.391 7.359 ( -4.240 -0.456 -1.203) 4.431 7.746 ( -0.276 6.316 1.758) 6.562 7.902 ( -5.403 0.036 0.176) 5.406 8.143 ( 4.585 -2.146 -1.796) 5.372 8.218 ( 3.021 -4.644 -0.897) 5.612 8.959 ( 1.997 -1.921 0.167) 2.776 9.184 ( -1.059 -7.289 -1.845) 7.593 9.359 ( -1.798 0.160 -0.911) 2.022 9.422 ( -1.048 -2.845 1.176) 3.252 9.597 ( 0.265 0.211 -1.171) 1.219 9.712 ( 0.516 -4.083 2.872) 5.019 10.008 ( 2.837 -0.579 -0.434) 2.928 10.145 ( 0.132 -5.615 0.407) 5.631 10.493 ( -0.064 2.521 -0.726) 2.624 10.622 ( 1.843 -4.259 -1.141) 4.779 11.281 ( -8.619 -1.687 -0.748) 8.815 11.315 ( -8.916 -3.335 -0.326) 9.525 11.563 ( -3.087 2.183 0.797) 3.864 11.702 ( -1.249 -3.923 0.475) 4.144 12.344 ( 10.691 1.454 1.440) 10.885 12.396 ( 10.410 -0.737 0.694) 10.459 12.970 ( -0.768 0.385 -1.630) 1.842 13.027 ( 0.411 -2.392 -2.011) 3.152 13.596 ( 7.196 1.028 -1.106) 7.353 13.630 ( 7.477 -0.270 -2.094) 7.769 13.924 ( -3.281 0.601 0.647) 3.398 14.035 ( -2.749 -4.061 -1.892) 5.257 14.318 ( -1.291 2.019 -0.820) 2.533 14.370 ( -2.528 -0.562 -1.333) 2.913 15.230 ( -7.007 2.215 -2.803) 7.865 15.254 ( -5.687 -0.114 -0.684) 5.729 15.490 ( 6.553 3.367 1.393) 7.497 15.607 ( 5.871 -0.908 0.442) 5.957 15.769 ( 1.962 -2.426 3.499) 4.688 15.785 ( -0.980 -1.980 1.221) 2.525 16.031 ( 5.034 2.685 -0.582) 5.735 16.200 ( 1.765 -5.155 0.379) 5.462 17.099 ( -2.158 1.047 0.176) 2.405 17.132 ( -1.878 -0.249 -0.367) 1.930 19.289 ( 2.696 3.650 1.407) 4.750 19.410 ( 2.524 -1.395 -0.845) 3.005 20.976 ( -2.388 0.625 0.447) 2.508 21.014 ( -3.830 -0.864 -0.279) 3.936 21.467 ( 6.124 5.867 -0.355) 8.488 21.660 ( 6.408 -3.385 -0.116) 7.248 22.975 ( -5.535 4.822 -0.623) 7.367 23.119 ( -4.099 -2.072 0.025) 4.593 26.522 ( 12.234 1.209 0.286) 12.297 26.626 ( 18.532 -4.075 -3.157) 19.235 29.302 ( -22.281 2.048 1.786) 22.447 29.416 ( -21.967 -2.531 -2.670) 22.273 30.745 ( 11.021 -1.820 2.740) 11.501 30.809 ( 11.173 -4.261 3.102) 12.354 31.213 ( 4.406 2.003 0.335) 4.851 31.308 ( 5.469 -2.268 0.018) 5.920 31.543 ( 0.028 4.731 1.644) 5.008 31.727 ( 4.841 -3.487 -2.920) 6.642 32.371 ( -12.211 1.819 1.813) 12.478 32.474 ( -10.468 -3.078 0.889) 10.948 32.946 ( 10.199 -0.890 2.513) 10.542 32.969 ( 11.960 -2.218 1.999) 12.327 33.963 ( -4.149 2.018 -0.039) 4.614 34.050 ( -4.393 -1.652 -3.029) 5.586 35.397 ( -0.929 7.413 1.795) 7.684 35.619 ( 4.286 3.912 -2.108) 6.174 35.736 ( -3.633 -1.023 3.986) 5.489 35.962 ( 3.080 -2.484 1.103) 4.107 36.332 ( 3.015 3.325 2.742) 5.260 36.438 ( 0.251 1.240 -0.407) 1.329 38.014 ( -7.879 1.383 0.774) 8.037 38.239 ( -7.333 -7.924 -6.233) 12.467 ======================= Grid point 114 (61/88) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 3.079 -1.858 2.289) 4.263 1.603 ( -2.537 -2.577 5.304) 6.419 1.812 ( 5.116 6.112 -2.869) 8.471 1.984 ( 2.173 3.813 6.894) 8.172 2.251 ( 0.242 -2.016 0.381) 2.066 2.341 ( 3.103 -3.985 3.606) 6.206 2.511 ( 1.678 4.056 1.386) 4.603 2.705 ( -0.072 8.193 4.037) 9.134 2.765 ( 5.323 2.607 4.971) 7.735 2.893 ( 2.315 -0.707 7.530) 7.909 3.079 ( 2.873 2.861 1.126) 4.208 3.190 ( 0.555 8.116 -3.788) 8.973 3.387 ( -1.441 4.740 0.801) 5.019 3.567 ( 4.209 -3.621 6.931) 8.881 3.688 ( 4.652 -1.320 -0.796) 4.901 3.837 ( 1.908 0.895 2.784) 3.492 4.043 ( 0.381 10.646 0.010) 10.653 4.153 ( 2.747 1.661 -3.502) 4.751 4.252 ( -4.018 1.906 -5.721) 7.247 4.399 ( -2.860 -0.021 -6.535) 7.134 4.501 ( 2.485 1.378 -2.801) 3.990 4.602 ( 1.514 4.295 0.482) 4.580 4.705 ( 2.655 1.269 0.730) 3.032 4.912 ( -4.770 -5.107 0.173) 6.991 5.015 ( -2.326 3.525 4.794) 6.389 5.133 ( -3.761 3.546 -0.765) 5.226 5.258 ( 1.656 0.194 0.123) 1.672 5.344 ( -1.264 -2.592 3.463) 4.506 5.566 ( -1.324 4.130 0.429) 4.358 5.742 ( -0.869 -1.968 -0.108) 2.154 5.907 ( -1.382 3.622 -2.913) 4.849 5.990 ( -7.809 1.915 0.477) 8.054 6.241 ( -2.997 3.186 -2.305) 4.944 6.345 ( -6.001 -2.212 0.312) 6.403 6.792 ( 4.941 4.668 -2.061) 7.103 6.985 ( 1.637 -3.978 0.086) 4.303 7.276 ( -0.977 -0.791 -0.787) 1.483 7.294 ( -0.118 -0.628 0.345) 0.727 7.675 ( -8.126 4.850 0.369) 9.471 7.788 ( -4.349 1.393 -1.151) 4.710 8.229 ( 4.345 -1.799 -0.316) 4.713 8.333 ( 7.393 -6.214 -0.711) 9.684 8.989 ( 0.426 -1.684 -0.085) 1.739 9.127 ( -3.859 -2.722 -2.190) 5.205 9.342 ( -0.263 -2.482 -1.403) 2.863 9.412 ( 0.383 -3.842 2.344) 4.517 9.615 ( 1.653 -0.222 -0.516) 1.746 9.733 ( 0.495 -4.146 3.184) 5.251 10.072 ( 3.868 -0.647 1.129) 4.081 10.167 ( 2.799 -3.469 -0.032) 4.458 10.491 ( -0.733 3.295 -2.638) 4.284 10.648 ( 0.735 -5.244 -1.499) 5.503 11.068 ( -11.149 -1.279 -0.050) 11.223 11.119 ( -10.258 -3.302 0.653) 10.796 11.535 ( 0.001 3.078 0.106) 3.080 11.668 ( -1.799 -2.487 -0.398) 3.096 12.554 ( 9.342 1.713 0.642) 9.520 12.613 ( 9.986 -0.877 0.760) 10.053 12.962 ( 0.182 1.233 -1.314) 1.811 13.047 ( 1.739 -3.123 -1.796) 4.000 13.705 ( 2.483 0.081 1.009) 2.681 13.751 ( 2.747 -1.936 -1.831) 3.827 13.914 ( 2.928 1.316 -0.421) 3.238 14.029 ( 4.843 -3.041 -3.877) 6.909 14.246 ( -5.687 1.752 1.513) 6.140 14.322 ( -2.524 -1.327 -1.248) 3.113 15.081 ( -7.491 2.504 -3.042) 8.464 15.169 ( -3.596 -1.412 -1.868) 4.291 15.572 ( 1.828 1.745 0.058) 2.528 15.633 ( -0.528 0.542 0.564) 0.944 15.752 ( -0.164 -0.044 3.494) 3.498 15.891 ( 4.246 -4.995 3.296) 7.338 16.179 ( 8.179 0.108 -1.765) 8.368 16.246 ( 4.923 -2.202 -1.811) 5.689 17.033 ( -4.340 0.790 -0.012) 4.412 17.068 ( -4.457 -0.565 -0.745) 4.554 19.351 ( 3.189 3.308 1.221) 4.754 19.451 ( 1.422 -0.854 -0.525) 1.740 20.930 ( -2.241 -0.154 0.564) 2.316 20.950 ( -2.291 -0.793 -0.154) 2.429 21.625 ( 9.142 5.527 -0.381) 10.690 21.800 ( 6.877 -2.767 0.327) 7.420 22.860 ( -5.335 4.805 -0.380) 7.189 23.008 ( -6.624 -2.151 0.113) 6.965 26.846 ( 19.288 2.964 1.069) 19.543 27.049 ( 22.642 -6.884 -6.356) 24.504 28.819 ( -25.056 2.514 1.587) 25.232 28.933 ( -24.950 -2.323 -1.833) 25.125 30.948 ( 8.581 -0.737 2.403) 8.942 31.001 ( 7.575 -2.746 2.865) 8.552 31.338 ( 7.690 1.928 0.220) 7.931 31.448 ( 7.340 -2.833 0.608) 7.891 31.572 ( 3.034 4.957 2.615) 6.373 31.805 ( 2.794 -5.655 -1.663) 6.523 32.141 ( -10.865 2.466 1.676) 11.266 32.267 ( -10.114 -3.653 2.309) 10.998 33.157 ( 10.641 -0.366 1.587) 10.765 33.195 ( 10.677 -2.127 0.844) 10.920 33.851 ( -6.953 1.632 0.124) 7.143 33.929 ( -7.354 -1.639 -2.728) 8.013 35.395 ( 0.457 6.981 0.483) 7.013 35.662 ( -0.942 -4.136 1.943) 4.666 35.743 ( 4.801 7.577 0.195) 8.972 36.020 ( 2.395 -1.559 1.973) 3.473 36.390 ( 0.992 5.368 -1.278) 5.607 36.442 ( 1.748 0.954 0.962) 2.212 37.853 ( -7.416 -0.163 1.708) 7.612 38.049 ( -10.540 -7.918 -5.158) 14.156 ======================= Grid point 115 (62/88) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -5.495 -4.484 3.953) 8.119 1.587 ( -0.069 -6.320 4.731) 7.895 1.903 ( 3.960 3.816 -1.262) 5.643 2.049 ( -0.421 -4.839 -3.159) 5.794 2.285 ( 5.998 6.927 2.852) 9.596 2.391 ( -6.736 3.094 2.080) 7.699 2.487 ( 2.809 0.579 -0.368) 2.892 2.688 ( -4.555 1.824 6.813) 8.396 2.885 ( 5.932 -1.346 -2.837) 6.712 2.942 ( 4.350 0.134 4.948) 6.590 3.073 ( -1.424 7.096 6.415) 9.672 3.236 ( 5.401 11.321 -5.103) 13.542 3.370 ( -0.598 10.756 2.247) 11.004 3.525 ( -5.728 -1.241 1.002) 5.946 3.759 ( 1.215 1.473 -3.061) 3.608 3.936 ( 7.470 -1.409 -0.840) 7.648 4.046 ( -5.054 4.106 -0.452) 6.527 4.107 ( 0.057 2.388 -0.657) 2.477 4.281 ( 4.067 -0.454 -0.737) 4.158 4.362 ( -4.412 -3.418 0.756) 5.632 4.572 ( 4.288 -0.304 0.196) 4.304 4.623 ( 1.643 2.979 2.691) 4.337 4.770 ( 1.963 3.784 3.043) 5.237 4.856 ( 1.137 -1.852 2.688) 3.456 5.004 ( -0.537 1.904 4.049) 4.507 5.060 ( -1.730 2.328 -1.383) 3.214 5.272 ( -2.595 -2.101 -0.322) 3.355 5.343 ( 0.457 -0.520 -0.146) 0.708 5.540 ( -0.347 4.559 0.532) 4.603 5.708 ( -1.404 -0.467 1.451) 2.072 5.881 ( -2.075 3.555 -1.759) 4.477 5.914 ( 1.123 1.656 -4.879) 5.273 6.164 ( -4.816 4.041 -2.675) 6.832 6.228 ( -3.928 1.419 -1.772) 4.537 6.891 ( 3.951 2.983 -2.128) 5.389 6.977 ( -0.652 -0.968 -0.537) 1.284 7.250 ( -1.010 1.245 -0.452) 1.666 7.356 ( 4.422 -2.994 4.117) 6.743 7.524 ( -5.169 2.537 -0.771) 5.809 7.696 ( -4.849 -2.777 -3.054) 6.368 8.310 ( 2.934 -0.630 0.427) 3.031 8.447 ( 3.540 -6.059 -0.554) 7.039 8.962 ( -2.809 -0.247 0.343) 2.841 9.069 ( -1.321 -4.170 -2.167) 4.882 9.337 ( -0.436 -0.902 -0.462) 1.103 9.432 ( 1.054 -5.517 0.830) 5.678 9.667 ( 3.713 -0.980 0.276) 3.850 9.715 ( -2.126 -2.074 1.906) 3.529 10.176 ( 6.203 0.225 2.040) 6.533 10.263 ( 6.092 -2.702 1.266) 6.783 10.449 ( -2.662 2.785 -3.214) 5.018 10.619 ( -4.951 -5.751 -2.634) 8.033 10.888 ( -6.090 -0.366 0.633) 6.133 10.964 ( -3.842 -3.775 0.859) 5.455 11.546 ( 0.650 2.598 -0.023) 2.678 11.640 ( -1.103 -1.193 -0.059) 1.626 12.682 ( 3.481 2.329 -0.463) 4.214 12.748 ( 3.464 -0.438 0.462) 3.522 12.973 ( 0.634 1.877 -0.803) 2.137 13.086 ( 1.699 -3.414 -1.056) 3.956 13.720 ( 0.540 -1.967 0.128) 2.044 13.743 ( -1.558 -3.022 -0.941) 3.527 14.021 ( 4.078 4.003 1.019) 5.805 14.101 ( -1.994 2.206 -0.953) 3.123 14.181 ( 2.187 -1.109 -1.310) 2.781 14.295 ( 1.613 -3.725 -3.338) 5.255 14.945 ( -5.511 3.272 -2.407) 6.847 15.107 ( -2.091 -2.991 -1.349) 3.890 15.604 ( 1.518 0.700 -0.247) 1.690 15.627 ( -0.170 0.411 -0.514) 0.680 15.769 ( 2.089 -0.067 3.270) 3.881 15.888 ( -3.621 -5.696 1.789) 6.983 16.299 ( 4.223 1.530 -1.294) 4.674 16.384 ( 5.591 -2.509 -0.903) 6.194 16.946 ( -3.711 0.765 -0.118) 3.791 16.979 ( -3.598 -0.759 -0.700) 3.743 19.404 ( 1.818 2.413 1.306) 3.292 19.460 ( -0.457 -0.039 -0.153) 0.483 20.897 ( -1.099 0.113 0.577) 1.246 20.924 ( -0.327 -1.041 -0.450) 1.180 21.789 ( 6.358 4.098 -0.453) 7.578 21.894 ( 2.055 -0.973 0.336) 2.298 22.796 ( -0.419 3.121 0.134) 3.152 22.884 ( -5.296 -0.926 -0.057) 5.377 27.202 ( 13.427 3.576 2.156) 14.061 27.416 ( 11.541 -6.426 -6.354) 14.658 28.397 ( -14.805 2.913 0.977) 15.121 28.528 ( -12.462 -2.787 -3.261) 13.179 31.070 ( 3.421 -0.676 2.539) 4.314 31.102 ( 2.519 -2.073 2.364) 4.028 31.482 ( 5.816 1.263 0.383) 5.964 31.525 ( 0.351 0.053 2.886) 2.908 31.675 ( 5.593 0.887 0.847) 5.726 31.822 ( -1.443 -5.001 -0.717) 5.255 31.978 ( -4.219 3.086 1.921) 5.569 32.103 ( -5.605 -3.589 3.852) 7.690 33.340 ( 6.566 -0.399 1.121) 6.673 33.376 ( 6.958 -1.605 -0.746) 7.180 33.715 ( -5.700 1.211 0.481) 5.847 33.785 ( -5.768 -1.612 -2.102) 6.347 35.410 ( 1.029 6.518 -0.779) 6.644 35.640 ( -1.136 -2.286 2.837) 3.816 35.851 ( 5.490 5.739 -0.200) 7.945 36.046 ( -0.137 1.069 0.384) 1.144 36.356 ( -2.676 6.821 -1.202) 7.425 36.513 ( 3.476 -1.535 0.783) 3.879 37.734 ( -5.297 -1.700 -1.044) 5.661 37.889 ( -3.412 -7.800 -1.732) 8.688 ======================= Grid point 116 (63/88) ======================= q-point: (-0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -5.006 -1.757 7.988) 9.590 1.567 ( -2.080 -5.747 2.772) 6.711 1.935 ( -1.615 0.132 -1.820) 2.437 2.028 ( 0.446 0.073 2.447) 2.488 2.220 ( -5.991 -0.161 5.067) 7.848 2.341 ( -2.880 8.452 -5.090) 10.278 2.520 ( -2.222 -0.044 0.264) 2.238 2.610 ( -0.511 -7.709 5.499) 9.483 2.908 ( -1.691 8.095 1.347) 8.379 3.047 ( -0.274 4.191 5.196) 6.681 3.144 ( 7.947 5.416 0.299) 9.622 3.229 ( -3.086 -0.088 2.937) 4.261 3.382 ( 4.491 11.120 -3.131) 12.394 3.568 ( 5.513 7.351 1.985) 9.400 3.758 ( -1.569 1.958 -4.354) 5.026 3.931 ( -1.506 1.318 0.662) 2.108 4.045 ( 0.338 -0.699 -2.513) 2.630 4.141 ( 2.024 -3.173 -1.119) 3.926 4.174 ( -9.978 -1.448 2.280) 10.337 4.341 ( -0.269 -4.512 -0.180) 4.524 4.610 ( 1.178 3.349 -1.521) 3.862 4.682 ( 0.831 4.134 3.223) 5.307 4.796 ( -0.040 0.927 5.364) 5.444 4.895 ( 0.292 0.325 2.121) 2.165 4.972 ( -2.530 6.232 -3.073) 7.395 5.040 ( -1.017 3.711 1.391) 4.092 5.206 ( 0.400 -1.195 0.920) 1.560 5.341 ( -1.169 -0.707 1.264) 1.861 5.566 ( 2.882 2.498 -1.414) 4.068 5.717 ( 1.277 0.588 2.990) 3.304 5.885 ( 1.206 1.566 -4.352) 4.780 5.937 ( 3.352 0.626 -3.378) 4.800 6.106 ( 0.038 4.321 -0.757) 4.387 6.205 ( 0.891 1.041 -0.800) 1.586 6.907 ( -0.323 3.152 -2.407) 3.979 7.006 ( 1.151 0.879 -3.570) 3.852 7.234 ( 0.031 3.205 1.720) 3.637 7.425 ( 1.390 -3.397 2.497) 4.439 7.519 ( 4.257 -0.717 0.730) 4.379 7.628 ( -0.228 -3.092 -3.002) 4.316 8.313 ( -2.924 -0.726 0.185) 3.019 8.457 ( -2.669 -6.648 -0.674) 7.195 8.924 ( -0.232 0.263 0.984) 1.045 9.064 ( 0.478 -4.540 -1.502) 4.806 9.319 ( -1.123 -0.573 -0.037) 1.262 9.448 ( 0.631 -5.106 0.274) 5.152 9.671 ( -1.950 0.902 0.788) 2.288 9.757 ( 4.721 -3.325 0.300) 5.783 10.239 ( -3.398 0.518 1.291) 3.672 10.327 ( 1.392 -2.277 -2.015) 3.344 10.434 ( -3.872 -1.181 -0.776) 4.122 10.513 ( 2.022 -4.023 -1.191) 4.658 10.863 ( 4.098 1.603 1.490) 4.646 10.988 ( 5.390 -4.565 -0.168) 7.065 11.547 ( -0.575 2.042 0.025) 2.122 11.621 ( -0.844 -0.792 0.444) 1.240 12.696 ( -2.050 2.313 -0.851) 3.206 12.756 ( -2.819 -0.245 0.337) 2.849 12.966 ( -1.319 1.821 -0.676) 2.348 13.084 ( -2.002 -3.475 -0.940) 4.119 13.725 ( -0.451 -1.449 -0.302) 1.547 13.756 ( 2.928 -2.960 -1.146) 4.318 13.945 ( -5.432 3.204 1.534) 6.490 14.088 ( -5.761 -3.328 0.691) 6.689 14.257 ( 7.285 2.535 -3.219) 8.359 14.362 ( 3.639 -1.002 -5.341) 6.540 14.902 ( 1.799 4.133 -0.625) 4.551 15.107 ( 2.081 -4.088 -1.591) 4.855 15.598 ( -1.472 0.576 -0.207) 1.594 15.630 ( -0.231 -0.236 -0.592) 0.677 15.809 ( -1.937 -1.044 1.137) 2.476 15.858 ( 5.118 -4.306 3.577) 7.585 16.289 ( -5.912 1.463 -0.876) 6.153 16.386 ( -5.789 -2.981 -0.922) 6.577 16.925 ( 2.039 0.991 0.344) 2.293 16.961 ( 2.027 -1.000 -0.101) 2.263 19.411 ( -1.596 1.549 1.638) 2.762 19.438 ( -1.413 0.473 0.025) 1.491 20.891 ( 0.611 0.821 0.493) 1.136 20.939 ( 1.822 -1.336 -0.557) 2.327 21.807 ( -4.944 3.882 -1.069) 6.377 21.902 ( -0.986 -0.585 0.165) 1.158 22.819 ( 0.423 2.026 -0.717) 2.191 22.859 ( 5.065 0.118 0.750) 5.122 27.215 ( -12.354 2.477 2.890) 12.927 27.361 ( -15.564 -4.246 -5.627) 17.086 28.400 ( 15.305 3.831 0.578) 15.788 28.572 ( 15.704 -4.074 -4.455) 16.824 31.066 ( -4.158 -0.495 2.670) 4.966 31.108 ( -2.041 -2.058 2.332) 3.721 31.471 ( -5.447 0.920 1.570) 5.743 31.526 ( -2.297 -0.941 1.307) 2.805 31.710 ( -1.774 0.092 0.497) 1.844 31.779 ( -2.079 -3.051 0.791) 3.776 31.998 ( 5.572 2.608 1.155) 6.260 32.104 ( 5.273 -3.121 3.795) 7.207 33.335 ( -6.834 0.320 0.554) 6.864 33.393 ( -6.093 -2.123 -0.576) 6.478 33.707 ( 5.359 1.349 0.725) 5.574 33.782 ( 5.608 -1.741 -2.013) 6.207 35.432 ( 1.187 6.180 -1.556) 6.482 35.617 ( -1.497 0.022 3.247) 3.576 35.939 ( 2.380 3.492 -1.567) 4.506 36.014 ( -1.970 4.705 -0.679) 5.146 36.319 ( -0.878 3.609 2.210) 4.322 36.536 ( -1.672 -4.682 -1.082) 5.088 37.676 ( 1.076 1.303 0.092) 1.693 37.926 ( 6.074 -8.685 -2.251) 10.834 ======================= Grid point 117 (64/88) ======================= q-point: (-0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.076 4.308 11.393) 12.180 1.548 ( 0.516 -3.353 3.120) 4.609 1.870 ( -5.360 2.760 3.406) 6.925 2.013 ( 0.092 4.235 -1.349) 4.446 2.186 ( 0.372 -7.690 7.325) 10.626 2.328 ( 1.843 8.546 1.559) 8.880 2.408 ( -7.509 -0.312 -0.024) 7.516 2.583 ( -2.341 -5.957 4.158) 7.633 2.896 ( -3.704 5.846 3.144) 7.601 2.953 ( -1.304 1.610 2.399) 3.170 3.189 ( -4.445 4.522 -1.201) 6.454 3.330 ( 4.409 3.927 3.040) 6.641 3.413 ( 1.467 4.364 1.049) 4.722 3.556 ( -5.712 6.600 6.415) 10.832 3.771 ( 1.282 0.094 -4.743) 4.914 3.841 ( -10.448 1.505 3.710) 11.189 3.993 ( 1.627 1.223 2.078) 2.909 4.142 ( 1.896 0.411 -6.561) 6.842 4.182 ( 1.113 -3.390 1.125) 3.741 4.285 ( -2.780 -3.564 -7.196) 8.497 4.540 ( -6.436 8.751 -5.425) 12.142 4.696 ( 0.825 5.626 -1.800) 5.965 4.765 ( 0.548 -0.904 2.390) 2.613 4.893 ( -1.322 0.716 -2.135) 2.612 4.928 ( 0.424 7.589 1.614) 7.770 5.065 ( 1.391 3.769 0.986) 4.137 5.280 ( 4.440 0.045 1.547) 4.702 5.333 ( 1.191 -1.768 6.033) 6.399 5.638 ( 4.145 0.901 -3.833) 5.717 5.754 ( 2.724 -0.463 1.261) 3.038 5.933 ( 4.140 3.131 -2.477) 5.752 6.046 ( 6.742 -1.254 -2.181) 7.196 6.140 ( 2.885 2.829 1.340) 4.257 6.235 ( 1.610 -1.024 3.321) 3.830 6.887 ( -2.987 6.228 -4.617) 8.309 6.983 ( -1.690 1.934 -2.527) 3.603 7.281 ( 3.863 -1.682 -0.041) 4.214 7.377 ( -4.392 -4.716 -1.060) 6.532 7.674 ( 9.090 1.230 0.798) 9.208 7.705 ( 7.740 0.669 1.243) 7.868 8.205 ( -7.699 -0.557 0.196) 7.722 8.353 ( -6.860 -7.282 -1.069) 10.061 8.941 ( 0.810 -0.533 0.949) 1.357 9.081 ( 1.590 -2.590 -0.020) 3.040 9.315 ( 0.978 -2.541 -0.611) 2.791 9.459 ( 0.519 -5.436 0.249) 5.466 9.640 ( -1.160 2.245 -0.076) 2.528 9.824 ( 1.261 -5.742 -0.151) 5.881 10.124 ( -6.663 0.725 -0.336) 6.711 10.229 ( -6.197 -3.759 -2.017) 7.524 10.461 ( 3.832 0.684 -1.914) 4.338 10.563 ( 0.833 -3.774 1.398) 4.110 11.043 ( 12.450 1.059 0.856) 12.525 11.141 ( 9.276 -3.734 -0.696) 10.023 11.536 ( 0.125 1.492 0.239) 1.516 11.617 ( 0.669 -1.591 1.196) 2.100 12.590 ( -8.794 1.143 -0.525) 8.884 12.623 ( -10.346 -0.158 0.846) 10.382 12.950 ( 0.262 0.842 -1.262) 1.540 13.034 ( -2.343 -3.022 -1.381) 4.066 13.671 ( -5.812 1.739 0.438) 6.083 13.789 ( -2.126 -4.116 -1.805) 4.972 13.906 ( -0.253 -0.475 -0.443) 0.696 13.952 ( -1.790 -2.477 0.450) 3.089 14.380 ( 3.963 3.068 -4.745) 6.902 14.428 ( 3.401 0.983 -4.245) 5.528 14.994 ( 6.515 4.062 0.901) 7.730 15.161 ( 3.152 -3.083 -2.067) 4.870 15.565 ( -2.041 0.381 -0.052) 2.077 15.627 ( 0.697 -2.015 0.695) 2.243 15.799 ( 0.628 1.981 1.784) 2.739 15.964 ( 3.603 -6.106 2.508) 7.520 16.104 ( -10.426 1.027 0.299) 10.480 16.193 ( -11.943 -2.780 -0.865) 12.293 16.999 ( 4.378 0.854 0.869) 4.544 17.031 ( 4.220 -0.782 0.449) 4.316 19.353 ( -3.805 1.928 1.674) 4.582 19.405 ( -2.073 -0.211 0.544) 2.154 20.926 ( 2.883 1.381 0.223) 3.205 20.989 ( 3.031 -1.459 -0.611) 3.419 21.659 ( -8.719 5.401 -1.513) 10.367 21.822 ( -6.886 -2.396 -0.395) 7.302 22.875 ( 5.114 4.118 -1.115) 6.659 22.989 ( 7.063 -1.372 0.620) 7.222 26.873 ( -19.243 1.143 2.188) 19.401 26.957 ( -22.316 -2.752 -4.999) 23.034 28.839 ( 25.831 3.639 0.513) 26.092 28.991 ( 24.637 -3.720 -3.663) 25.184 30.921 ( -10.349 0.366 3.139) 10.821 31.015 ( -7.637 -3.657 2.859) 8.937 31.340 ( -6.946 0.986 0.332) 7.024 31.428 ( -6.514 -2.552 0.746) 7.036 31.656 ( -3.219 1.782 0.502) 3.714 31.733 ( -2.756 -2.421 0.717) 3.738 32.171 ( 10.961 1.516 0.912) 11.103 32.254 ( 8.889 -2.429 2.397) 9.521 33.148 ( -11.146 0.639 1.322) 11.242 33.215 ( -10.487 -2.367 0.587) 10.767 33.843 ( 7.042 1.623 0.476) 7.242 33.924 ( 7.540 -1.784 -2.664) 8.194 35.456 ( 1.380 6.124 -1.818) 6.535 35.578 ( -2.838 3.771 3.611) 5.943 35.902 ( -3.115 2.544 -4.671) 6.164 36.027 ( 0.909 0.923 1.895) 2.295 36.310 ( -0.925 1.025 3.675) 3.926 36.459 ( -4.624 -4.836 -1.049) 6.773 37.792 ( 9.740 3.693 1.899) 10.588 38.083 ( 9.214 -8.597 -4.563) 13.402 ======================= Grid point 118 (65/88) ======================= q-point: (-0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.985 5.432 10.932) 14.064 1.535 ( -2.332 1.671 5.364) 6.083 1.821 ( 2.307 5.098 9.099) 10.682 2.042 ( -0.974 8.917 1.616) 9.115 2.170 ( -3.280 -3.969 9.103) 10.458 2.247 ( 0.236 0.510 6.284) 6.309 2.440 ( 4.706 0.525 -0.714) 4.789 2.561 ( -0.433 -6.565 3.419) 7.414 2.803 ( -4.954 3.755 -0.242) 6.221 2.888 ( -11.265 0.603 0.049) 11.281 3.033 ( -2.539 6.975 -0.279) 7.428 3.279 ( -10.399 -2.606 -1.320) 10.801 3.378 ( -11.365 6.498 5.949) 14.380 3.477 ( 1.598 3.063 5.956) 6.885 3.723 ( 2.183 1.452 1.278) 2.917 3.806 ( 1.077 -0.125 -2.822) 3.024 4.011 ( -0.981 -0.423 -6.501) 6.589 4.049 ( -3.091 2.443 -1.826) 4.342 4.268 ( 3.862 -0.119 -0.927) 3.974 4.321 ( 5.685 0.922 -2.677) 6.351 4.492 ( 0.995 7.811 -4.454) 9.046 4.667 ( -3.075 6.087 -2.497) 7.263 4.846 ( 2.442 -1.414 -1.023) 3.001 4.869 ( 1.699 -1.921 1.864) 3.171 4.964 ( 3.183 8.774 0.155) 9.335 5.077 ( 0.558 7.210 -2.541) 7.665 5.321 ( 0.737 2.389 2.490) 3.528 5.387 ( 1.696 -4.473 7.611) 8.989 5.691 ( 0.937 2.023 -3.414) 4.078 5.831 ( 4.282 -3.515 -4.245) 6.980 6.017 ( 3.867 3.589 -1.840) 5.588 6.154 ( 2.724 0.631 -1.196) 3.041 6.218 ( 4.627 -0.760 3.597) 5.910 6.276 ( 2.678 -2.341 5.395) 6.462 6.792 ( -4.584 5.062 -2.314) 7.211 6.941 ( -3.588 -0.514 -3.786) 5.242 7.301 ( -0.723 0.411 -2.230) 2.380 7.370 ( 3.264 -1.800 -0.976) 3.853 7.796 ( 3.804 2.148 -0.438) 4.391 7.905 ( 8.258 -1.320 1.149) 8.441 8.042 ( -6.310 2.037 1.550) 6.809 8.231 ( -4.674 -6.596 -1.585) 8.238 8.937 ( -0.786 -0.669 0.772) 1.289 9.129 ( 2.717 -5.441 0.503) 6.103 9.347 ( 2.020 -2.706 -1.314) 3.623 9.469 ( 0.299 -5.656 0.093) 5.665 9.624 ( -0.714 2.088 -1.022) 2.432 9.792 ( -3.773 -5.402 -0.762) 6.633 10.011 ( -4.050 1.961 -0.291) 4.509 10.160 ( -1.458 -4.318 -0.005) 4.557 10.510 ( 0.874 -0.738 -1.428) 1.830 10.567 ( 0.364 -2.187 0.783) 2.351 11.269 ( 8.481 -0.944 -0.715) 8.564 11.319 ( 8.410 -2.867 -0.388) 8.894 11.570 ( 2.983 0.651 0.415) 3.081 11.657 ( 3.259 -2.853 2.308) 4.908 12.371 ( -11.819 0.775 0.607) 11.860 12.405 ( -10.536 -0.828 0.508) 10.581 12.968 ( 1.171 0.274 -1.856) 2.212 13.006 ( -0.005 -1.826 -1.363) 2.278 13.546 ( -5.472 1.540 -0.456) 5.702 13.639 ( -8.715 -3.288 -1.287) 9.403 13.950 ( 3.630 0.413 -0.143) 3.657 14.015 ( 4.010 -2.319 -0.556) 4.666 14.391 ( -2.220 3.988 -4.829) 6.644 14.462 ( -0.228 0.195 -4.154) 4.165 15.135 ( 7.687 3.307 1.958) 8.595 15.244 ( 5.804 -1.619 -0.587) 6.055 15.509 ( -4.217 2.118 0.212) 4.724 15.608 ( -5.029 -1.370 0.445) 5.231 15.805 ( -1.152 -0.174 0.729) 1.374 15.893 ( -5.362 -2.139 -1.884) 6.073 15.969 ( -4.624 0.674 1.153) 4.813 16.094 ( 2.425 -5.689 5.327) 8.162 17.073 ( 2.913 1.025 0.997) 3.245 17.106 ( 3.067 -0.383 0.410) 3.117 19.284 ( -2.807 2.720 2.025) 4.403 19.367 ( -1.323 -0.854 0.265) 1.596 20.989 ( 2.858 1.482 -0.283) 3.232 21.048 ( 2.709 -1.258 -0.744) 3.078 21.499 ( -6.744 5.561 -1.498) 8.869 21.667 ( -7.557 -2.747 -0.503) 8.057 22.988 ( 5.349 4.364 -1.129) 6.995 23.108 ( 4.490 -1.571 0.137) 4.759 26.538 ( -13.675 0.169 0.581) 13.688 26.565 ( -15.264 -0.922 -1.532) 15.368 29.324 ( 21.456 3.062 0.285) 21.675 29.465 ( 21.531 -3.454 -3.960) 22.163 30.691 ( -11.855 0.050 3.951) 12.496 30.823 ( -11.145 -6.230 3.520) 13.245 31.225 ( -4.397 1.228 -0.008) 4.566 31.308 ( -5.008 -2.296 0.062) 5.509 31.607 ( -1.605 1.932 0.594) 2.581 31.666 ( -3.581 -0.336 -1.514) 3.902 32.406 ( 12.450 0.066 0.871) 12.480 32.440 ( 9.574 -1.155 1.767) 9.804 32.919 ( -11.949 0.899 2.554) 12.251 33.005 ( -10.674 -3.116 1.467) 11.216 33.959 ( 4.317 2.011 0.176) 4.766 34.046 ( 4.681 -1.759 -2.931) 5.797 35.477 ( -0.144 6.854 -0.127) 6.857 35.521 ( -1.740 6.277 1.475) 6.679 35.865 ( -0.446 -0.600 -2.575) 2.681 35.991 ( -4.932 -4.715 0.766) 6.866 36.279 ( -1.228 2.289 4.300) 5.024 36.413 ( -0.157 -1.599 1.076) 1.934 38.000 ( 9.534 2.552 0.508) 9.883 38.246 ( 6.787 -7.830 -5.839) 11.894 ======================= Grid point 119 (66/88) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.498 -4.960 2.694) 5.666 1.537 ( 0.498 4.960 2.694) 5.666 1.992 ( -2.955 -4.430 13.595) 14.600 1.992 ( -2.955 4.430 13.595) 14.600 2.300 ( 3.572 -9.322 10.695) 14.630 2.300 ( 3.572 9.322 10.695) 14.630 2.464 ( 3.059 -3.527 -0.124) 4.670 2.464 ( 3.059 3.527 -0.124) 4.670 2.724 ( -3.760 -5.142 -0.628) 6.401 2.724 ( -3.760 5.142 -0.628) 6.401 3.098 ( -0.459 -4.009 -7.434) 8.458 3.098 ( -0.459 4.009 -7.434) 8.458 3.368 ( -5.195 -11.046 5.044) 13.208 3.368 ( -5.195 11.046 5.044) 13.208 3.823 ( 2.596 -6.330 -1.899) 7.101 3.823 ( 2.596 6.330 -1.899) 7.101 4.036 ( 1.718 -2.307 -3.027) 4.176 4.036 ( 1.718 2.307 -3.027) 4.176 4.387 ( 2.025 -3.536 1.709) 4.418 4.387 ( 2.025 3.536 1.709) 4.418 4.665 ( -1.258 -2.439 -0.223) 2.753 4.665 ( -1.258 2.439 -0.223) 2.753 4.824 ( -0.340 -7.329 1.142) 7.425 4.824 ( -0.340 7.329 1.142) 7.425 5.160 ( 1.083 -5.780 -1.599) 6.094 5.160 ( 1.083 5.780 -1.599) 6.094 5.362 ( 0.234 -3.518 2.463) 4.301 5.362 ( 0.234 3.518 2.463) 4.301 5.745 ( -2.375 -6.011 -5.912) 8.760 5.745 ( -2.375 6.011 -5.912) 8.760 6.114 ( 0.035 -5.007 1.635) 5.267 6.114 ( 0.035 5.007 1.635) 5.267 6.310 ( 1.821 -2.437 3.038) 4.299 6.310 ( 1.821 2.437 3.038) 4.299 6.802 ( -1.782 -3.626 -2.619) 4.815 6.802 ( -1.782 3.626 -2.619) 4.815 7.376 ( 0.284 -2.689 -2.893) 3.960 7.376 ( 0.284 2.689 -2.893) 3.960 7.853 ( -0.572 -4.045 0.656) 4.137 7.853 ( -0.572 4.045 0.656) 4.137 8.123 ( 1.290 -2.907 0.519) 3.222 8.123 ( 1.290 2.907 0.519) 3.222 8.989 ( 0.676 -7.203 -0.625) 7.261 8.989 ( 0.676 7.203 -0.625) 7.261 9.400 ( 0.567 -1.838 -0.893) 2.121 9.400 ( 0.567 1.838 -0.893) 2.121 9.650 ( -1.726 -3.163 -0.388) 3.624 9.650 ( -1.726 3.163 -0.388) 3.624 10.029 ( -0.699 -4.794 0.953) 4.938 10.029 ( -0.699 4.794 0.953) 4.938 10.536 ( 0.506 -2.255 -0.280) 2.328 10.536 ( 0.506 2.255 -0.280) 2.328 11.356 ( 0.305 -1.504 -0.650) 1.667 11.356 ( 0.305 1.504 -0.650) 1.667 11.645 ( 0.232 -2.554 0.903) 2.719 11.645 ( 0.232 2.554 0.903) 2.719 12.256 ( -0.348 -1.449 1.128) 1.869 12.256 ( -0.348 1.449 1.128) 1.869 12.994 ( 0.275 -1.051 -2.301) 2.545 12.994 ( 0.275 1.051 -2.301) 2.545 13.523 ( 1.216 -1.160 -1.580) 2.306 13.523 ( 1.216 1.160 -1.580) 2.306 14.010 ( -0.584 -2.171 -0.891) 2.418 14.010 ( -0.584 2.171 -0.891) 2.418 14.394 ( -2.655 -2.159 -3.112) 4.626 14.394 ( -2.655 2.159 -3.112) 4.626 15.336 ( 3.891 -2.169 2.480) 5.099 15.336 ( 3.891 2.169 2.480) 5.099 15.457 ( -2.880 -2.006 -0.993) 3.647 15.457 ( -2.880 2.006 -0.993) 3.647 15.777 ( -1.579 -1.839 0.093) 2.426 15.777 ( -1.579 1.839 0.093) 2.426 16.045 ( 2.553 -4.540 2.586) 5.816 16.045 ( 2.553 4.540 2.586) 5.816 17.134 ( 0.760 -0.863 0.331) 1.196 17.134 ( 0.760 0.863 0.331) 1.196 19.323 ( 0.786 -2.917 1.110) 3.218 19.323 ( 0.786 2.917 1.110) 3.218 21.044 ( -0.886 -1.491 -0.614) 1.840 21.044 ( -0.886 1.491 -0.614) 1.840 21.512 ( -0.522 -4.263 -0.323) 4.307 21.512 ( -0.522 4.263 -0.323) 4.307 23.113 ( -0.048 -2.851 -0.599) 2.914 23.113 ( -0.048 2.851 -0.599) 2.914 26.402 ( 0.331 -0.297 0.018) 0.445 26.402 ( 0.331 0.297 0.018) 0.445 29.627 ( -1.280 -3.596 -2.846) 4.761 29.627 ( -1.280 3.596 -2.846) 4.761 30.577 ( 0.890 -2.340 4.493) 5.144 30.577 ( 0.890 2.340 4.493) 5.144 31.214 ( -0.216 -2.070 -0.096) 2.083 31.214 ( -0.216 2.070 -0.096) 2.083 31.623 ( 0.037 -2.298 -0.623) 2.381 31.623 ( 0.037 2.298 -0.623) 2.381 32.582 ( 0.249 -0.606 0.180) 0.679 32.582 ( 0.249 0.606 0.180) 0.679 32.780 ( -0.601 -1.939 3.469) 4.020 32.780 ( -0.601 1.939 3.469) 4.020 34.051 ( 0.184 -2.407 -1.586) 2.889 34.051 ( 0.184 2.407 -1.586) 2.889 35.573 ( -1.187 -4.677 1.288) 4.995 35.573 ( -1.187 4.677 1.288) 4.995 35.823 ( -0.774 -4.182 0.264) 4.262 35.823 ( -0.774 4.182 0.264) 4.262 36.375 ( 1.449 -4.293 3.971) 6.025 36.375 ( 1.449 4.293 3.971) 6.025 38.176 ( 0.040 -5.768 -4.904) 7.570 38.176 ( 0.040 5.768 -4.904) 7.570 ======================= Grid point 121 (67/88) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.109 -5.803 1.675) 6.041 1.549 ( 0.109 5.803 1.675) 6.041 1.943 ( -1.533 -6.281 12.728) 14.276 1.943 ( -1.533 6.281 12.728) 14.276 2.257 ( -2.999 -5.083 3.513) 6.868 2.257 ( -2.999 5.083 3.513) 6.868 2.568 ( 2.629 -4.881 0.136) 5.546 2.568 ( 2.629 4.881 0.136) 5.546 2.777 ( 7.775 -4.553 4.887) 10.250 2.777 ( 7.775 4.553 4.887) 10.250 3.150 ( 5.420 -6.576 -6.900) 10.965 3.150 ( 5.420 6.576 -6.900) 10.965 3.358 ( 3.689 -5.449 6.814) 9.473 3.358 ( 3.689 5.449 6.814) 9.473 3.787 ( -4.749 -6.585 0.987) 8.179 3.787 ( -4.749 6.585 0.987) 8.179 4.122 ( 5.503 -1.822 -4.420) 7.289 4.122 ( 5.503 1.822 -4.420) 7.289 4.373 ( -2.501 -3.716 -2.206) 4.993 4.373 ( -2.501 3.716 -2.206) 4.993 4.629 ( -2.300 -4.871 -1.328) 5.548 4.629 ( -2.300 4.871 -1.328) 5.548 4.802 ( -1.830 -10.363 1.710) 10.661 4.802 ( -1.830 10.363 1.710) 10.661 5.177 ( -0.022 -5.973 1.689) 6.208 5.177 ( -0.022 5.973 1.689) 6.208 5.319 ( -4.128 -7.483 0.524) 8.562 5.319 ( -4.128 7.483 0.524) 8.562 5.688 ( -1.784 -5.745 -2.945) 6.698 5.688 ( -1.784 5.745 -2.945) 6.698 6.080 ( -3.975 -6.395 0.327) 7.537 6.080 ( -3.975 6.395 0.327) 7.537 6.324 ( -0.159 -2.893 1.782) 3.401 6.324 ( -0.159 2.893 1.782) 3.401 6.820 ( 3.080 -5.066 -1.941) 6.238 6.820 ( 3.080 5.066 -1.941) 6.238 7.333 ( -3.485 -2.000 -1.952) 4.466 7.333 ( -3.485 2.000 -1.952) 4.466 7.864 ( -0.728 -4.445 0.955) 4.604 7.864 ( -0.728 4.445 0.955) 4.604 8.133 ( 1.710 -2.382 -0.707) 3.016 8.133 ( 1.710 2.382 -0.707) 3.016 9.016 ( 1.637 -7.116 -1.387) 7.432 9.016 ( 1.637 7.116 -1.387) 7.432 9.382 ( -2.042 -1.702 -0.495) 2.704 9.382 ( -2.042 1.702 -0.495) 2.704 9.635 ( 0.248 -3.264 1.355) 3.543 9.635 ( 0.248 3.264 1.355) 3.543 10.040 ( 1.691 -3.887 0.409) 4.258 10.040 ( 1.691 3.887 0.409) 4.259 10.550 ( 0.903 -3.110 -0.897) 3.360 10.550 ( 0.903 3.110 -0.897) 3.360 11.270 ( -8.585 -0.843 -0.698) 8.654 11.270 ( -8.585 0.843 -0.698) 8.654 11.623 ( -1.428 -3.696 0.580) 4.004 11.623 ( -1.428 3.696 0.580) 4.004 12.374 ( 10.345 -1.414 1.116) 10.501 12.374 ( 10.345 1.414 1.116) 10.501 12.988 ( -0.224 -1.444 -2.094) 2.553 12.988 ( -0.224 1.444 -2.094) 2.553 13.617 ( 7.021 -0.941 -1.742) 7.295 13.617 ( 7.021 0.941 -1.742) 7.295 13.961 ( -3.138 -2.954 -0.805) 4.384 13.961 ( -3.138 2.954 -0.805) 4.384 14.352 ( -2.167 -1.316 -1.073) 2.753 14.352 ( -2.167 1.316 -1.073) 2.753 15.254 ( -6.556 -0.320 -1.421) 6.716 15.254 ( -6.556 0.320 -1.421) 6.716 15.565 ( 6.884 -3.417 1.155) 7.772 15.565 ( 6.884 3.417 1.155) 7.772 15.751 ( -0.334 -1.041 2.049) 2.322 15.751 ( -0.334 1.041 2.049) 2.322 16.102 ( 3.470 -4.328 -0.158) 5.549 16.102 ( 3.470 4.328 -0.158) 5.549 17.120 ( -2.192 -0.907 -0.130) 2.376 17.120 ( -2.192 0.907 -0.130) 2.376 19.362 ( 2.677 -3.264 0.653) 4.271 19.362 ( 2.677 3.264 0.653) 4.271 20.994 ( -3.357 -1.068 0.029) 3.523 20.994 ( -3.357 1.068 0.029) 3.523 21.577 ( 6.355 -4.914 -0.129) 8.035 21.577 ( 6.355 4.914 -0.129) 8.035 23.062 ( -4.790 -3.662 -0.375) 6.041 23.062 ( -4.790 3.662 -0.375) 6.041 26.559 ( 14.771 -2.565 -0.722) 15.009 26.559 ( 14.771 2.565 -0.722) 15.009 29.357 ( -22.020 -3.170 -0.977) 22.268 29.357 ( -22.020 3.170 -0.977) 22.268 30.744 ( 11.986 -1.768 2.943) 12.468 30.744 ( 11.986 1.768 2.943) 12.468 31.259 ( 4.764 -2.455 0.018) 5.359 31.259 ( 4.764 2.455 0.018) 5.359 31.643 ( 1.809 -4.817 -0.183) 5.149 31.643 ( 1.809 4.817 -0.183) 5.149 32.416 ( -11.421 -2.624 1.426) 11.806 32.416 ( -11.421 2.624 1.426) 11.806 32.941 ( 11.246 -0.546 2.191) 11.470 32.941 ( 11.246 0.546 2.191) 11.470 34.008 ( -4.338 -2.316 -1.608) 5.173 34.008 ( -4.338 2.316 -1.608) 5.173 35.549 ( -1.013 -7.155 1.449) 7.370 35.549 ( -1.013 7.155 1.449) 7.370 35.846 ( 2.689 -7.860 1.154) 8.387 35.846 ( 2.689 7.860 1.154) 8.387 36.412 ( 2.109 -3.574 2.235) 4.713 36.412 ( 2.109 3.574 2.235) 4.713 38.092 ( -7.754 -6.112 -4.191) 10.726 38.092 ( -7.754 6.112 -4.191) 10.726 ======================= Grid point 123 (68/88) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -2.467 -2.756 2.686) 4.571 1.527 ( -2.467 2.756 2.686) 4.571 1.950 ( 1.068 -6.065 3.067) 6.879 1.950 ( 1.068 6.065 3.067) 6.879 2.267 ( 4.050 -3.358 2.643) 5.887 2.267 ( 4.050 3.358 2.643) 5.887 2.627 ( 4.281 -7.657 0.254) 8.776 2.627 ( 4.281 7.657 0.254) 8.776 2.867 ( -0.800 -3.965 5.992) 7.230 2.867 ( -0.800 3.965 5.992) 7.230 3.241 ( 3.419 -8.442 -1.609) 9.249 3.241 ( 3.419 8.442 -1.609) 9.249 3.466 ( 4.181 -7.825 4.055) 9.755 3.466 ( 4.181 7.825 4.055) 9.755 3.758 ( 3.609 -7.233 2.574) 8.483 3.758 ( 3.609 7.233 2.574) 8.483 4.149 ( -2.505 -2.446 -2.032) 4.047 4.149 ( -2.505 2.446 -2.032) 4.047 4.344 ( -0.481 -4.813 -8.555) 9.828 4.344 ( -0.481 4.813 -8.555) 9.828 4.588 ( -1.042 -6.208 0.207) 6.298 4.588 ( -1.042 6.208 0.207) 6.298 4.783 ( 0.677 -6.780 2.075) 7.123 4.783 ( 0.677 6.780 2.075) 7.123 5.111 ( -5.496 -5.074 6.998) 10.244 5.111 ( -5.496 5.074 6.998) 10.244 5.290 ( 0.971 -2.672 -1.609) 3.267 5.290 ( 0.971 2.672 -1.609) 3.267 5.670 ( -0.875 -5.156 -1.432) 5.423 5.670 ( -0.875 5.156 -1.432) 5.423 5.985 ( -4.306 -2.888 -1.669) 5.446 5.985 ( -4.306 2.888 -1.669) 5.446 6.298 ( -2.784 -2.518 -0.419) 3.777 6.298 ( -2.784 2.518 -0.419) 3.777 6.893 ( 3.768 -5.104 -0.769) 6.391 6.893 ( 3.768 5.104 -0.769) 6.391 7.275 ( -1.646 -0.804 -0.295) 1.855 7.275 ( -1.646 0.804 -0.295) 1.855 7.767 ( -7.931 -3.560 -0.930) 8.742 7.767 ( -7.931 3.560 -0.930) 8.742 8.231 ( 6.812 -2.877 -0.379) 7.405 8.231 ( 6.812 2.877 -0.379) 7.405 9.029 ( -0.711 -5.051 -2.003) 5.480 9.029 ( -0.711 5.051 -2.003) 5.480 9.346 ( -1.016 -2.599 0.556) 2.845 9.346 ( -1.016 2.599 0.556) 2.845 9.653 ( 1.136 -3.483 2.271) 4.310 9.653 ( 1.136 3.483 2.271) 4.310 10.096 ( 4.167 -2.876 0.296) 5.071 10.096 ( 4.167 2.876 0.296) 5.071 10.560 ( -0.206 -3.749 -2.085) 4.294 10.560 ( -0.206 3.749 -2.085) 4.294 11.069 ( -10.613 -1.399 0.287) 10.709 11.069 ( -10.613 1.399 0.287) 10.709 11.604 ( -0.461 -3.629 -0.175) 3.662 11.604 ( -0.461 3.629 -0.175) 3.662 12.588 ( 9.940 -1.576 0.799) 10.096 12.588 ( 9.940 1.576 0.799) 10.096 12.994 ( 0.995 -2.099 -1.555) 2.795 12.994 ( 0.995 2.099 -1.555) 2.795 13.717 ( 1.326 -1.229 -0.656) 1.923 13.717 ( 1.326 1.229 -0.656) 1.923 13.963 ( 5.222 -3.203 -1.700) 6.358 13.963 ( 5.222 3.203 -1.700) 6.358 14.287 ( -4.472 -2.075 0.082) 4.930 14.287 ( -4.472 2.075 0.082) 4.930 15.133 ( -5.812 -2.312 -2.274) 6.656 15.133 ( -5.812 2.312 -2.274) 6.656 15.614 ( -0.175 -2.098 -0.163) 2.111 15.614 ( -0.175 2.098 -0.163) 2.111 15.792 ( 2.183 -4.062 3.598) 5.849 15.792 ( 2.183 4.062 3.598) 5.849 16.203 ( 7.014 -1.935 -1.800) 7.495 16.203 ( 7.014 1.936 -1.800) 7.495 17.051 ( -4.505 -0.971 -0.439) 4.629 17.051 ( -4.505 0.971 -0.439) 4.629 19.414 ( 2.339 -2.682 0.575) 3.605 19.414 ( 2.339 2.682 0.575) 3.605 20.936 ( -2.373 -0.596 0.233) 2.458 20.936 ( -2.373 0.596 0.233) 2.458 21.727 ( 8.082 -4.461 0.049) 9.232 21.727 ( 8.082 4.461 0.049) 9.232 22.948 ( -6.045 -3.814 -0.127) 7.149 22.948 ( -6.045 3.814 -0.127) 7.149 26.926 ( 20.961 -5.139 -1.481) 21.633 26.926 ( 20.961 5.139 -1.481) 21.633 28.877 ( -24.868 -3.054 -0.349) 25.057 28.877 ( -24.868 3.054 -0.349) 25.057 30.955 ( 8.499 -1.494 2.539) 8.995 30.955 ( 8.499 1.494 2.539) 8.995 31.387 ( 7.468 -2.889 0.103) 8.008 31.387 ( 7.468 2.889 0.103) 8.008 31.686 ( 2.404 -6.086 0.812) 6.594 31.686 ( 2.404 6.086 0.812) 6.594 32.199 ( -10.327 -3.167 2.050) 10.995 32.199 ( -10.327 3.167 2.050) 10.995 33.162 ( 10.794 -0.977 1.141) 10.898 33.162 ( 10.794 0.977 1.141) 10.898 33.889 ( -7.272 -2.113 -1.407) 7.703 33.889 ( -7.272 2.113 -1.407) 7.703 35.539 ( -0.065 -7.089 0.730) 7.126 35.539 ( -0.065 7.089 0.730) 7.126 35.914 ( 3.809 -8.002 2.344) 9.167 35.914 ( 3.809 8.002 2.344) 9.167 36.454 ( 1.820 -1.291 -0.342) 2.258 36.454 ( 1.820 1.291 -0.342) 2.258 37.907 ( -9.672 -5.453 -2.721) 11.432 37.907 ( -9.672 5.453 -2.721) 11.432 ======================= Grid point 125 (69/88) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -2.824 -3.480 4.705) 6.498 1.472 ( -2.824 3.480 4.705) 6.498 1.964 ( 0.194 -3.208 -2.804) 4.265 1.964 ( 0.194 3.208 -2.804) 4.265 2.386 ( 5.860 -3.374 3.351) 7.546 2.386 ( 5.860 3.374 3.351) 7.546 2.596 ( -8.943 -8.340 -3.947) 12.849 2.596 ( -8.943 8.340 -3.947) 12.849 2.917 ( 9.025 -3.054 7.869) 12.357 2.917 ( 9.025 3.054 7.869) 12.357 3.254 ( -3.614 -9.281 4.646) 10.990 3.254 ( -3.614 9.281 4.646) 10.990 3.514 ( 2.664 -6.993 -2.969) 8.051 3.514 ( 2.664 6.993 -2.969) 8.051 3.844 ( 3.706 -6.829 -1.479) 7.909 3.844 ( 3.706 6.829 -1.479) 7.909 4.111 ( -2.082 -2.704 -2.756) 4.386 4.111 ( -2.082 2.704 -2.756) 4.386 4.305 ( -3.142 -2.586 -0.569) 4.109 4.305 ( -3.142 2.586 -0.569) 4.109 4.592 ( 2.068 -3.106 3.302) 4.983 4.592 ( 2.068 3.106 3.302) 4.983 4.833 ( 2.805 -2.231 2.507) 4.374 4.833 ( 2.805 2.231 2.507) 4.374 5.053 ( 0.085 -2.876 4.337) 5.205 5.053 ( 0.085 2.876 4.337) 5.205 5.297 ( -0.961 -3.601 -1.887) 4.178 5.297 ( -0.961 3.601 -1.887) 4.178 5.646 ( -0.737 -5.092 0.481) 5.167 5.646 ( -0.737 5.092 0.481) 5.167 5.934 ( -1.176 -1.002 -3.664) 3.976 5.934 ( -1.176 1.002 -3.664) 3.976 6.226 ( -3.579 -1.721 -1.533) 4.257 6.226 ( -3.579 1.721 -1.533) 4.257 6.947 ( 1.768 -2.244 -1.308) 3.141 6.947 ( 1.768 2.244 -1.308) 3.141 7.287 ( 2.721 -3.028 2.064) 4.564 7.287 ( 2.721 3.028 2.064) 4.564 7.609 ( -6.983 -5.152 -2.629) 9.067 7.609 ( -6.983 5.152 -2.629) 9.067 8.341 ( 3.421 -3.853 -0.161) 5.156 8.341 ( 3.421 3.853 -0.161) 5.156 8.990 ( -2.370 -3.038 -1.733) 4.225 8.990 ( -2.370 3.038 -1.733) 4.225 9.348 ( 0.714 -2.423 0.673) 2.614 9.348 ( 0.714 2.423 0.673) 2.614 9.676 ( 1.150 -1.577 1.847) 2.687 9.676 ( 1.150 1.577 1.847) 2.687 10.205 ( 6.331 -2.557 1.590) 7.010 10.205 ( 6.331 2.557 1.590) 7.010 10.519 ( -4.180 -4.204 -3.448) 6.858 10.519 ( -4.180 4.204 -3.448) 6.858 10.904 ( -4.822 -2.006 0.809) 5.285 10.904 ( -4.822 2.006 0.809) 5.285 11.601 ( -0.141 -2.593 0.055) 2.597 11.601 ( -0.141 2.593 0.055) 2.597 12.726 ( 3.684 -1.793 0.031) 4.098 12.726 ( 3.684 1.793 0.031) 4.098 13.021 ( 1.244 -2.899 -0.788) 3.252 13.021 ( 1.244 2.899 -0.788) 3.252 13.705 ( -0.727 -0.588 -0.691) 1.163 13.705 ( -0.727 0.588 -0.691) 1.163 14.093 ( 2.924 -2.847 -1.012) 4.205 14.093 ( 2.924 2.847 -1.012) 4.205 14.212 ( 0.241 -3.966 -0.871) 4.068 14.212 ( 0.241 3.966 -0.871) 4.068 15.028 ( -4.046 -4.549 -1.670) 6.313 15.028 ( -4.046 4.549 -1.670) 6.313 15.621 ( 0.766 -0.884 -0.392) 1.234 15.621 ( 0.766 0.884 -0.392) 1.234 15.797 ( -0.921 -3.084 2.152) 3.872 15.797 ( -0.921 3.084 2.152) 3.872 16.336 ( 4.793 -2.138 -1.094) 5.361 16.336 ( 4.793 2.138 -1.094) 5.361 16.963 ( -3.649 -0.831 -0.471) 3.772 16.963 ( -3.649 0.831 -0.471) 3.772 19.445 ( 0.614 -1.506 0.747) 1.790 19.445 ( 0.614 1.506 0.747) 1.790 20.906 ( -0.640 -0.725 0.102) 0.972 20.906 ( -0.640 0.725 0.102) 0.972 21.858 ( 4.340 -2.672 0.062) 5.097 21.858 ( 4.340 2.672 0.062) 5.097 22.852 ( -3.003 -2.261 0.022) 3.759 22.852 ( -3.003 2.261 0.022) 3.759 27.293 ( 12.895 -5.528 -1.232) 14.084 27.293 ( 12.895 5.528 -1.232) 14.084 28.463 ( -13.815 -3.496 -1.004) 14.286 28.463 ( -13.815 3.496 -1.004) 14.286 31.071 ( 3.060 -0.884 2.543) 4.076 31.071 ( 3.060 0.884 2.543) 4.076 31.510 ( 3.752 -1.400 1.060) 4.142 31.510 ( 3.752 1.400 1.060) 4.142 31.727 ( 1.236 -4.147 0.341) 4.341 31.727 ( 1.236 4.147 0.341) 4.341 32.040 ( -4.780 -2.978 2.878) 6.325 32.040 ( -4.780 2.978 2.878) 6.325 33.347 ( 6.838 -1.051 0.117) 6.919 33.347 ( 6.838 1.051 0.117) 6.919 33.748 ( -5.783 -1.931 -0.952) 6.171 33.748 ( -5.783 1.931 -0.952) 6.171 35.544 ( 0.402 -6.341 -0.014) 6.354 35.544 ( 0.402 6.341 -0.014) 6.354 35.986 ( 3.100 -6.171 3.086) 7.564 35.986 ( 3.100 6.171 3.086) 7.564 36.468 ( -0.704 -3.758 -2.326) 4.475 36.468 ( -0.704 3.758 -2.326) 4.475 37.758 ( -4.284 -4.307 -1.508) 6.259 37.758 ( -4.284 4.307 -1.508) 6.259 ======================= Grid point 127 (70/88) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -1.228 -6.192 6.139) 8.806 1.433 ( -1.228 6.192 6.139) 8.806 1.956 ( -0.806 -3.152 -0.822) 3.356 1.956 ( -0.806 3.152 -0.822) 3.356 2.355 ( -7.765 -9.283 1.821) 12.239 2.355 ( -7.765 9.283 1.821) 12.239 2.515 ( 1.287 -3.194 -2.482) 4.244 2.515 ( 1.287 3.194 -2.482) 4.244 3.060 ( -3.324 -4.942 7.308) 9.428 3.060 ( -3.324 4.942 7.308) 9.428 3.185 ( 4.914 -1.323 2.107) 5.508 3.185 ( 4.914 1.323 2.107) 5.508 3.587 ( 3.537 -7.459 -1.778) 8.444 3.587 ( 3.537 7.459 -1.778) 8.444 3.916 ( -0.683 -7.360 0.829) 7.438 3.916 ( -0.683 7.360 0.829) 7.438 4.022 ( -1.752 -6.307 -2.278) 6.931 4.022 ( -1.752 6.307 -2.278) 6.931 4.225 ( -4.334 -4.787 -2.061) 6.778 4.225 ( -4.334 4.787 -2.061) 6.778 4.671 ( 3.588 -3.025 2.677) 5.403 4.671 ( 3.588 3.025 2.677) 5.403 4.857 ( -0.357 -4.085 2.146) 4.628 4.857 ( -0.357 4.085 2.146) 4.628 5.081 ( 0.982 -2.470 -0.676) 2.743 5.081 ( 0.982 2.470 -0.676) 2.743 5.260 ( -1.300 -6.351 2.310) 6.882 5.260 ( -1.300 6.351 2.310) 6.882 5.654 ( 1.070 -5.305 0.206) 5.416 5.654 ( 1.070 5.305 0.206) 5.416 5.928 ( 1.533 -1.879 -3.860) 4.558 5.928 ( 1.532 1.879 -3.860) 4.558 6.189 ( -0.151 -2.892 -0.049) 2.897 6.189 ( -0.151 2.892 -0.049) 2.897 6.978 ( 1.711 -3.228 -3.084) 4.781 6.978 ( 1.711 3.228 -3.084) 4.781 7.327 ( -1.063 -5.588 2.079) 6.056 7.327 ( -1.063 5.588 2.079) 6.056 7.551 ( 3.314 -3.613 -1.504) 5.129 7.551 ( 3.314 3.613 -1.504) 5.129 8.345 ( -3.103 -4.019 -0.323) 5.087 8.345 ( -3.103 4.019 -0.323) 5.087 8.965 ( 0.198 -3.958 -0.886) 4.061 8.965 ( 0.198 3.958 -0.886) 4.061 9.355 ( -0.179 -3.625 0.414) 3.653 9.355 ( -0.179 3.625 0.414) 3.653 9.701 ( 1.210 -2.153 1.152) 2.725 9.701 ( 1.210 2.153 1.152) 2.725 10.272 ( -2.785 -2.589 0.461) 3.830 10.272 ( -2.785 2.589 0.461) 3.830 10.447 ( 0.540 -2.261 -2.057) 3.104 10.447 ( 0.540 2.261 -2.057) 3.104 10.909 ( 5.131 -3.136 0.416) 6.028 10.909 ( 5.131 3.136 0.416) 6.028 11.591 ( -0.899 -2.065 0.371) 2.282 11.591 ( -0.899 2.065 0.371) 2.282 12.738 ( -2.551 -1.617 -0.251) 3.030 12.738 ( -2.551 1.617 -0.251) 3.030 13.015 ( -1.816 -3.098 -0.654) 3.651 13.015 ( -1.816 3.098 -0.654) 3.651 13.716 ( 1.802 -0.779 -1.082) 2.242 13.716 ( 1.802 0.779 -1.082) 2.242 14.015 ( -6.937 -3.668 0.790) 7.886 14.015 ( -6.937 3.668 0.790) 7.887 14.319 ( 6.631 -3.065 -3.595) 8.142 14.319 ( 6.631 3.065 -3.595) 8.142 15.005 ( 1.985 -5.658 -0.742) 6.042 15.005 ( 1.985 5.658 -0.742) 6.042 15.614 ( -1.628 -1.047 -0.401) 1.977 15.614 ( -1.628 1.047 -0.401) 1.977 15.807 ( 2.231 -1.185 1.924) 3.175 15.807 ( 2.231 1.185 1.924) 3.175 16.329 ( -5.961 -2.505 -0.815) 6.517 16.329 ( -5.961 2.505 -0.815) 6.517 16.944 ( 2.012 -0.842 0.074) 2.182 16.944 ( 2.012 0.842 0.074) 2.182 19.436 ( -1.623 -0.715 1.044) 2.058 19.436 ( -1.623 0.715 1.044) 2.058 20.912 ( 1.352 -1.286 -0.057) 1.867 20.912 ( 1.352 1.286 -0.057) 1.867 21.872 ( -3.053 -2.429 -0.360) 3.918 21.872 ( -3.053 2.429 -0.360) 3.918 22.851 ( 2.894 -0.997 0.023) 3.061 22.851 ( 2.894 0.997 0.023) 3.061 27.278 ( -13.889 -3.798 -0.745) 14.418 27.278 ( -13.889 3.798 -0.745) 14.418 28.484 ( 15.534 -4.465 -1.673) 16.249 28.484 ( 15.534 4.465 -1.673) 16.249 31.073 ( -3.083 -1.181 2.544) 4.168 31.073 ( -3.083 1.181 2.544) 4.168 31.499 ( -4.646 -1.606 1.199) 5.060 31.499 ( -4.646 1.606 1.199) 5.060 31.726 ( -1.127 -1.803 0.682) 2.233 31.726 ( -1.127 1.803 0.682) 2.233 32.051 ( 5.331 -2.520 2.378) 6.358 32.051 ( 5.331 2.520 2.378) 6.358 33.354 ( -6.368 -1.537 -0.099) 6.552 33.354 ( -6.368 1.537 -0.099) 6.552 33.742 ( 5.484 -2.023 -0.784) 5.898 33.742 ( 5.484 2.023 -0.784) 5.898 35.554 ( 0.651 -5.440 -0.283) 5.486 35.554 ( 0.651 5.440 -0.283) 5.486 36.025 ( 0.283 -3.355 2.389) 4.129 36.025 ( 0.283 3.355 2.389) 4.129 36.421 ( -3.486 -6.302 -1.452) 7.347 36.421 ( -3.486 6.302 -1.452) 7.347 37.761 ( 4.607 -6.916 -1.568) 8.457 37.761 ( 4.607 6.916 -1.568) 8.457 ======================= Grid point 129 (71/88) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 2.690 -6.868 6.741) 9.992 1.447 ( 2.690 6.868 6.741) 9.992 1.942 ( -0.286 -5.763 4.179) 7.125 1.942 ( -0.286 5.763 4.179) 7.125 2.255 ( -2.381 -10.132 0.353) 10.414 2.255 ( -2.381 10.132 0.353) 10.414 2.490 ( -3.756 -4.484 2.116) 6.220 2.490 ( -3.756 4.484 2.116) 6.220 2.962 ( -3.574 -1.022 2.988) 4.770 2.962 ( -3.574 1.022 2.988) 4.770 3.295 ( 0.882 -4.871 -0.316) 4.960 3.295 ( 0.882 4.871 -0.316) 4.960 3.577 ( -4.163 -7.516 6.782) 10.946 3.577 ( -4.163 7.516 6.782) 10.946 3.806 ( -4.760 -4.373 -0.327) 6.472 3.806 ( -4.760 4.373 -0.327) 6.473 4.063 ( -0.992 -4.878 0.111) 4.979 4.063 ( -0.992 4.878 0.111) 4.979 4.199 ( 4.152 -3.177 -7.806) 9.395 4.199 ( 4.152 3.177 -7.806) 9.395 4.675 ( -1.972 -4.821 -0.183) 5.212 4.675 ( -1.972 4.821 -0.183) 5.212 4.843 ( -0.631 -4.978 -2.086) 5.434 4.843 ( -0.631 4.978 -2.086) 5.434 5.100 ( 1.728 -5.831 0.498) 6.102 5.100 ( 1.728 5.831 0.498) 6.102 5.277 ( 2.146 -3.391 6.132) 7.328 5.277 ( 2.146 3.391 6.132) 7.328 5.689 ( 2.804 -4.209 -3.123) 5.944 5.689 ( 2.804 4.209 -3.123) 5.944 6.001 ( 5.313 -2.949 -2.059) 6.416 6.001 ( 5.313 2.949 -2.059) 6.416 6.203 ( 1.254 -2.633 2.694) 3.970 6.203 ( 1.254 2.633 2.694) 3.970 6.986 ( -1.946 -2.635 -4.754) 5.774 6.986 ( -1.946 2.635 -4.754) 5.774 7.287 ( -0.552 -3.121 -0.065) 3.170 7.287 ( -0.552 3.121 -0.065) 3.170 7.700 ( 9.489 -1.136 1.553) 9.682 7.700 ( 9.489 1.136 1.553) 9.682 8.235 ( -7.285 -3.976 -0.529) 8.316 8.235 ( -7.285 3.976 -0.529) 8.316 8.983 ( 1.061 -4.704 -0.452) 4.843 8.983 ( 1.061 4.704 -0.452) 4.843 9.350 ( 0.128 -4.586 0.388) 4.605 9.350 ( 0.128 4.586 0.388) 4.605 9.714 ( -0.226 -4.837 0.388) 4.858 9.714 ( -0.226 4.837 0.388) 4.858 10.159 ( -5.903 -2.778 -1.544) 6.704 10.159 ( -5.903 2.778 -1.544) 6.704 10.496 ( 2.320 -2.717 -0.074) 3.573 10.496 ( 2.320 2.717 -0.074) 3.573 11.077 ( 10.741 -2.467 -0.271) 11.024 11.077 ( 10.741 2.467 -0.271) 11.024 11.576 ( -0.180 -2.244 0.813) 2.394 11.576 ( -0.180 2.244 0.813) 2.394 12.612 ( -10.023 -0.942 0.260) 10.070 12.612 ( -10.023 0.942 0.260) 10.070 12.980 ( -1.008 -2.158 -1.291) 2.709 12.980 ( -1.008 2.158 -1.291) 2.709 13.717 ( -4.342 -2.942 -0.892) 5.320 13.717 ( -4.342 2.942 -0.892) 5.320 13.915 ( -0.339 -1.254 0.160) 1.309 13.915 ( -0.339 1.254 0.160) 1.309 14.426 ( 3.975 -1.282 -4.645) 6.247 14.426 ( 3.975 1.282 -4.645) 6.247 15.083 ( 5.223 -4.506 -0.262) 6.903 15.083 ( 5.223 4.506 -0.262) 6.903 15.584 ( -0.866 -1.695 0.746) 2.044 15.584 ( -0.866 1.695 0.746) 2.044 15.861 ( 2.141 -4.101 1.721) 4.936 15.861 ( 2.141 4.101 1.721) 4.936 16.141 ( -11.164 -2.368 -0.252) 11.416 16.141 ( -11.164 2.368 -0.252) 11.416 17.015 ( 4.373 -0.788 0.642) 4.490 17.015 ( 4.373 0.788 0.642) 4.490 19.388 ( -2.970 -1.434 1.397) 3.582 19.388 ( -2.970 1.434 1.397) 3.582 20.957 ( 3.052 -1.629 -0.295) 3.472 20.957 ( 3.052 1.629 -0.295) 3.472 21.757 ( -7.866 -4.158 -0.912) 8.944 21.757 ( -7.866 4.158 -0.912) 8.944 22.947 ( 6.179 -2.875 -0.195) 6.817 22.947 ( 6.179 2.875 -0.195) 6.817 26.906 ( -20.675 -2.184 -0.784) 20.805 26.906 ( -20.675 2.184 -0.784) 20.805 28.915 ( 25.218 -3.855 -1.608) 25.562 28.915 ( 25.218 3.855 -1.608) 25.562 30.950 ( -9.501 -2.511 2.834) 10.227 30.950 ( -9.501 2.511 2.834) 10.227 31.377 ( -6.719 -2.387 0.343) 7.139 31.377 ( -6.719 2.387 0.343) 7.139 31.689 ( -2.450 -1.789 0.963) 3.183 31.689 ( -2.450 1.789 0.963) 3.183 32.209 ( 9.804 -2.162 1.553) 10.159 32.209 ( 9.804 2.162 1.553) 10.159 33.172 ( -10.855 -1.766 0.802) 11.026 33.172 ( -10.855 1.766 0.802) 11.026 33.882 ( 7.403 -2.159 -1.181) 7.801 33.882 ( 7.403 2.159 -1.181) 7.801 35.568 ( 0.805 -4.208 -0.099) 4.285 35.568 ( 0.805 4.208 -0.099) 4.285 35.986 ( -4.324 -4.806 0.283) 6.471 35.986 ( -4.324 4.806 0.283) 6.471 36.363 ( -1.837 -4.342 2.195) 5.201 36.363 ( -1.837 4.342 2.195) 5.201 37.911 ( 9.796 -7.869 -2.806) 12.875 37.911 ( 9.796 7.869 -2.806) 12.875 ======================= Grid point 131 (72/88) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 2.422 -3.718 4.233) 6.133 1.515 ( 2.422 3.718 4.233) 6.133 1.975 ( 3.308 -9.627 12.448) 16.080 1.975 ( 3.308 9.627 12.448) 16.080 2.228 ( -0.484 -6.074 2.328) 6.522 2.228 ( -0.484 6.074 2.328) 6.522 2.440 ( -0.009 -2.873 3.337) 4.403 2.440 ( -0.009 2.873 3.337) 4.403 2.876 ( -7.402 -2.821 -0.269) 7.926 2.876 ( -7.402 2.821 -0.269) 7.926 3.178 ( -7.749 -6.907 -3.180) 10.857 3.178 ( -7.749 6.907 -3.180) 10.857 3.508 ( -6.372 -3.169 7.742) 10.516 3.508 ( -6.372 3.169 7.742) 10.516 3.754 ( 1.535 -3.367 -1.997) 4.205 3.754 ( 1.535 3.367 -1.997) 4.205 4.033 ( -0.605 -2.231 -5.456) 5.925 4.033 ( -0.605 2.231 -5.456) 5.925 4.304 ( 5.507 -2.272 -1.005) 6.041 4.304 ( 5.507 2.272 -1.005) 6.041 4.668 ( 0.811 -7.682 0.690) 7.755 4.668 ( 0.811 7.682 0.690) 7.755 4.829 ( -0.541 -2.721 -0.875) 2.909 4.829 ( -0.541 2.721 -0.875) 2.909 5.135 ( 1.553 -6.124 0.032) 6.317 5.135 ( 1.553 6.124 0.032) 6.317 5.329 ( 2.454 -1.841 4.339) 5.314 5.329 ( 2.454 1.841 4.339) 5.314 5.746 ( 2.427 -4.057 -6.261) 7.845 5.746 ( 2.427 4.057 -6.261) 7.845 6.089 ( 2.791 -3.623 0.533) 4.604 6.089 ( 2.791 3.623 0.533) 4.604 6.249 ( 3.372 -1.687 3.753) 5.320 6.249 ( 3.372 1.687 3.753) 5.320 6.891 ( -6.105 -4.266 -3.846) 8.382 6.891 ( -6.105 4.266 -3.846) 8.382 7.328 ( 3.643 -2.098 -2.148) 4.721 7.328 ( 3.643 2.098 -2.148) 4.721 7.853 ( 3.851 -3.302 1.583) 5.314 7.853 ( 3.851 3.302 1.583) 5.314 8.112 ( -3.053 -4.906 0.059) 5.778 8.112 ( -3.053 4.906 0.059) 5.778 8.990 ( -0.285 -5.935 -0.453) 5.959 8.990 ( -0.285 5.935 -0.453) 5.959 9.371 ( 1.809 -3.721 -0.031) 4.137 9.371 ( 1.809 3.721 -0.031) 4.137 9.690 ( -1.953 -4.407 -0.685) 4.869 9.690 ( -1.953 4.407 -0.685) 4.869 10.069 ( -3.291 -4.003 -0.206) 5.186 10.069 ( -3.291 4.003 -0.206) 5.186 10.525 ( 0.802 -1.786 -0.129) 1.962 10.525 ( 0.802 1.786 -0.129) 1.962 11.273 ( 7.871 -1.406 -1.000) 8.058 11.273 ( 7.871 1.406 -1.000) 8.058 11.601 ( 2.756 -2.376 1.422) 3.907 11.601 ( 2.756 2.376 1.422) 3.907 12.388 ( -11.145 -0.873 0.780) 11.206 12.388 ( -11.145 0.873 0.780) 11.206 12.979 ( 0.819 -0.902 -1.946) 2.296 12.979 ( 0.819 0.902 -1.946) 2.296 13.584 ( -6.501 -2.284 -0.891) 6.948 13.584 ( -6.501 2.284 -0.891) 6.948 13.973 ( 3.797 -1.776 -0.597) 4.234 13.973 ( 3.797 1.776 -0.597) 4.234 14.448 ( -1.487 -1.701 -4.965) 5.454 14.448 ( -1.487 1.701 -4.965) 5.454 15.200 ( 6.848 -2.871 1.029) 7.496 15.200 ( 6.848 2.871 1.029) 7.496 15.559 ( -3.294 -2.869 1.044) 4.491 15.559 ( -3.294 2.869 1.044) 4.491 15.834 ( -4.635 -2.893 -0.993) 5.553 15.834 ( -4.635 2.893 -0.993) 5.553 16.010 ( -0.417 -3.070 3.220) 4.468 16.010 ( -0.417 3.070 3.220) 4.468 17.093 ( 3.189 -0.886 0.701) 3.383 17.093 ( 3.189 0.886 0.701) 3.383 19.336 ( -2.014 -2.233 1.490) 3.356 19.336 ( -2.014 2.233 1.490) 3.356 21.020 ( 2.884 -1.547 -0.618) 3.330 21.020 ( 2.884 1.547 -0.618) 3.330 21.598 ( -7.266 -4.189 -0.903) 8.436 21.598 ( -7.266 4.189 -0.903) 8.436 23.063 ( 4.861 -3.018 -0.503) 5.744 23.063 ( 4.861 3.018 -0.503) 5.744 26.547 ( -14.208 -0.719 -0.275) 14.229 26.547 ( -14.208 0.719 -0.275) 14.229 29.392 ( 21.432 -3.642 -2.269) 21.857 29.392 ( 21.432 3.642 -2.269) 21.857 30.724 ( -12.392 -3.372 3.747) 13.378 30.724 ( -12.392 3.372 3.747) 13.378 31.263 ( -4.472 -2.178 -0.029) 4.975 31.263 ( -4.472 2.178 -0.029) 4.975 31.643 ( -1.935 -1.666 -0.098) 2.556 31.643 ( -1.935 1.666 -0.098) 2.556 32.418 ( 10.938 -0.984 1.294) 11.058 32.418 ( 10.938 0.984 1.294) 11.058 32.950 ( -11.482 -2.235 1.863) 11.845 32.950 ( -11.482 2.235 1.863) 11.845 34.004 ( 4.599 -2.344 -1.437) 5.358 34.004 ( 4.599 2.344 -1.437) 5.358 35.581 ( 0.309 -1.925 0.454) 2.002 35.581 ( 0.309 1.925 0.454) 2.002 35.884 ( -5.033 -4.163 -0.252) 6.536 35.884 ( -5.033 4.163 -0.252) 6.536 36.353 ( 0.420 -4.110 4.239) 5.919 36.353 ( 0.420 4.110 4.239) 5.919 38.095 ( 7.862 -6.653 -4.254) 11.144 38.095 ( 7.862 6.653 -4.254) 11.144 ======================= Grid point 147 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.000 0.000 0.000) 0.000 1.520 ( -0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.370 ( -0.000 0.000 -0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.676 ( -0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.162 ( -0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.592 ( -0.000 0.000 -0.000) 0.000 3.841 ( -0.000 0.000 0.000) 0.000 3.965 ( -0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 -0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.219 ( -0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.468 ( -0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.752 ( -0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 5.122 ( -0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.468 ( -0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.041 ( -0.000 0.000 0.000) 0.000 6.230 ( -0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.879 ( 0.000 0.000 0.000) 0.000 7.166 ( -0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.932 ( -0.000 0.000 0.000) 0.000 8.118 ( -0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 9.028 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.418 ( -0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.605 ( -0.000 0.000 0.000) 0.000 9.872 ( -0.000 0.000 0.000) 0.000 9.919 ( -0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.600 ( 0.000 0.000 -0.000) 0.000 10.639 ( -0.000 0.000 0.000) 0.000 11.462 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 12.176 ( -0.000 0.000 0.000) 0.000 12.277 ( -0.000 0.000 0.000) 0.000 12.967 ( -0.000 0.000 0.000) 0.000 13.078 ( 0.000 0.000 0.000) 0.000 13.464 ( -0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.128 ( -0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.404 ( 0.000 0.000 0.000) 0.000 15.226 ( -0.000 0.000 0.000) 0.000 15.316 ( 0.000 0.000 0.000) 0.000 15.408 ( -0.000 0.000 0.000) 0.000 15.468 ( 0.000 0.000 0.000) 0.000 15.750 ( -0.000 0.000 0.000) 0.000 15.831 ( -0.000 0.000 0.000) 0.000 16.062 ( -0.000 0.000 0.000) 0.000 16.341 ( -0.000 0.000 0.000) 0.000 17.093 ( -0.000 0.000 0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 19.201 ( -0.000 0.000 0.000) 0.000 19.328 ( -0.000 0.000 0.000) 0.000 20.977 ( 0.000 0.000 0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 21.253 ( -0.000 0.000 0.000) 0.000 21.648 ( 0.000 0.000 0.000) 0.000 22.913 ( 0.000 0.000 0.000) 0.000 23.189 ( -0.000 0.000 0.000) 0.000 26.405 ( -0.000 0.000 0.000) 0.000 26.436 ( 0.000 0.000 0.000) 0.000 29.618 ( 0.000 0.000 0.000) 0.000 29.647 ( -0.000 0.000 0.000) 0.000 30.735 ( 0.000 0.000 0.000) 0.000 30.879 ( -0.000 0.000 0.000) 0.000 31.200 ( -0.000 0.000 0.000) 0.000 31.313 ( -0.000 0.000 0.000) 0.000 31.442 ( 0.000 0.000 0.000) 0.000 31.566 ( 0.000 0.000 0.000) 0.000 32.578 ( -0.000 0.000 0.000) 0.000 32.614 ( 0.000 0.000 0.000) 0.000 32.852 ( -0.000 0.000 0.000) 0.000 32.947 ( -0.000 0.000 0.000) 0.000 33.979 ( 0.000 0.000 0.000) 0.000 34.066 ( 0.000 0.000 0.000) 0.000 35.274 ( -0.000 0.000 0.000) 0.000 35.347 ( 0.000 0.000 0.000) 0.000 35.861 ( 0.000 0.000 0.000) 0.000 35.920 ( -0.000 0.000 -0.000) 0.000 36.206 ( -0.000 0.000 0.000) 0.000 36.436 ( -0.000 0.000 0.000) 0.000 38.221 ( 0.000 0.000 0.000) 0.000 38.436 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 149 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -9.038 0.000 5.699) 10.685 1.596 ( 4.041 0.000 6.397) 7.567 1.660 ( 8.137 0.000 -5.484) 9.813 1.952 ( 1.611 0.000 -1.847) 2.450 2.138 ( -5.184 0.000 -14.621) 15.513 2.210 ( 0.606 0.000 6.505) 6.533 2.449 ( 1.328 0.000 1.606) 2.084 2.671 ( -1.780 0.000 1.221) 2.158 2.770 ( 5.384 0.000 2.430) 5.907 2.987 ( 9.717 0.000 4.963) 10.912 3.067 ( 4.022 0.000 0.255) 4.031 3.294 ( 8.764 0.000 -8.710) 12.356 3.346 ( 10.541 0.000 10.460) 14.850 3.445 ( -4.171 0.000 -3.845) 5.673 3.632 ( 1.563 0.000 0.472) 1.633 3.735 ( -8.250 0.000 -0.933) 8.303 3.833 ( -3.557 0.000 3.551) 5.026 4.007 ( -2.460 0.000 -6.625) 7.067 4.140 ( 2.270 0.000 3.063) 3.812 4.189 ( -0.743 0.000 3.307) 3.390 4.319 ( 2.130 0.000 -4.909) 5.351 4.438 ( -1.629 0.000 4.420) 4.711 4.619 ( -4.794 0.000 -1.671) 5.077 4.779 ( 0.283 0.000 -1.025) 1.064 4.917 ( 7.815 0.000 -1.642) 7.985 5.117 ( -0.723 0.000 -2.733) 2.827 5.283 ( -0.343 0.000 0.495) 0.602 5.465 ( -0.088 0.000 3.023) 3.024 5.705 ( -8.714 0.000 0.450) 8.726 5.797 ( -1.778 0.000 -0.419) 1.827 5.956 ( -2.774 0.000 1.487) 3.148 6.049 ( -5.405 0.000 0.097) 5.406 6.214 ( -1.594 0.000 -0.909) 1.835 6.516 ( -4.543 0.000 -5.153) 6.869 6.641 ( -2.827 0.000 0.993) 2.996 6.966 ( 3.470 0.000 -3.003) 4.589 7.233 ( 6.673 0.000 3.659) 7.610 7.392 ( -2.337 0.000 0.973) 2.531 7.652 ( -3.831 0.000 4.216) 5.697 7.894 ( -11.243 0.000 1.144) 11.301 8.080 ( 8.463 0.000 -4.193) 9.445 8.362 ( 9.106 0.000 1.755) 9.274 9.024 ( -0.149 0.000 -2.680) 2.684 9.277 ( -7.081 0.000 -2.846) 7.631 9.436 ( -1.341 0.000 4.783) 4.968 9.598 ( -1.185 0.000 -0.462) 1.272 9.636 ( 2.347 0.000 1.352) 2.709 9.856 ( 1.049 0.000 2.931) 3.113 10.011 ( 6.812 0.000 -3.086) 7.478 10.211 ( 2.071 0.000 -0.366) 2.103 10.512 ( -5.830 0.000 3.535) 6.818 10.701 ( 3.424 0.000 -3.499) 4.896 11.357 ( -10.498 0.000 -1.339) 10.583 11.410 ( -9.311 0.000 -0.260) 9.315 11.550 ( -4.901 0.000 1.460) 5.114 11.782 ( -5.740 0.000 -1.771) 6.007 12.345 ( 11.709 0.000 1.699) 11.832 12.406 ( 11.047 0.000 0.182) 11.048 12.952 ( -1.424 0.000 -0.412) 1.483 13.080 ( 0.702 0.000 -0.992) 1.215 13.526 ( 7.144 0.000 -1.844) 7.378 13.658 ( 7.780 0.000 3.953) 8.727 13.987 ( -4.691 0.000 1.127) 4.824 14.099 ( -3.626 0.000 -1.124) 3.796 14.233 ( 3.360 0.000 -1.446) 3.658 14.386 ( -2.096 0.000 1.874) 2.812 15.093 ( -7.596 0.000 -2.078) 7.875 15.280 ( -5.658 0.000 -0.060) 5.658 15.447 ( 6.497 0.000 0.681) 6.533 15.618 ( 5.756 0.000 -0.327) 5.765 15.781 ( 5.279 0.000 0.994) 5.372 15.922 ( -2.204 0.000 1.050) 2.442 15.987 ( 6.401 0.000 -1.071) 6.490 16.352 ( -1.068 0.000 0.750) 1.305 17.074 ( -2.106 0.000 -1.216) 2.432 17.114 ( -1.862 0.000 -0.237) 1.877 19.236 ( 3.142 0.000 0.850) 3.255 19.353 ( 2.341 0.000 -1.374) 2.714 20.963 ( -1.526 0.000 -0.615) 1.645 21.059 ( -2.957 0.000 1.182) 3.184 21.302 ( 5.750 0.000 0.685) 5.791 21.726 ( 6.861 0.000 -0.265) 6.866 22.845 ( -5.993 0.000 0.522) 6.016 23.151 ( -3.986 0.000 -0.709) 4.048 26.523 ( 12.731 0.000 1.233) 12.791 26.616 ( 15.968 0.000 -4.108) 16.488 29.318 ( -23.258 0.000 -1.811) 23.329 29.447 ( -21.175 0.000 2.958) 21.380 30.823 ( 8.202 0.000 -3.830) 9.052 30.990 ( 7.773 0.000 2.236) 8.088 31.237 ( 4.165 0.000 3.041) 5.158 31.379 ( 6.252 0.000 2.951) 6.914 31.468 ( 2.490 0.000 -0.189) 2.497 31.675 ( 9.016 0.000 -3.997) 9.863 32.394 ( -13.442 0.000 2.563) 13.685 32.525 ( -7.063 0.000 -2.445) 7.474 32.983 ( 9.563 0.000 -2.933) 10.002 33.083 ( 10.370 0.000 2.026) 10.566 33.943 ( -3.506 0.000 -0.179) 3.510 34.020 ( -4.490 0.000 0.034) 4.490 35.263 ( -0.846 0.000 2.467) 2.608 35.390 ( 4.106 0.000 -2.960) 5.061 35.813 ( -2.582 0.000 0.004) 2.582 35.961 ( 1.169 0.000 4.095) 4.259 36.216 ( 0.964 0.000 1.046) 1.422 36.459 ( 2.586 0.000 0.451) 2.626 38.137 ( -7.904 0.000 -1.412) 8.029 38.356 ( -7.319 0.000 0.325) 7.327 ======================= Grid point 150 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 11.015 0.000 -0.524) 11.028 1.662 ( 1.965 0.000 2.964) 3.556 1.856 ( 7.275 0.000 -1.971) 7.537 1.985 ( -1.652 0.000 -2.148) 2.710 2.045 ( 4.269 0.000 -8.549) 9.556 2.259 ( 2.762 0.000 1.050) 2.955 2.553 ( 1.864 0.000 4.139) 4.540 2.700 ( 7.102 0.000 3.287) 7.826 2.767 ( -1.900 0.000 0.453) 1.953 2.970 ( -3.715 0.000 2.245) 4.341 3.086 ( -5.778 0.000 -1.571) 5.988 3.285 ( -4.873 0.000 1.105) 4.997 3.367 ( -14.203 0.000 1.733) 14.308 3.527 ( -5.463 0.000 1.149) 5.583 3.592 ( 12.803 0.000 -4.076) 13.437 3.798 ( 3.596 0.000 7.892) 8.672 3.870 ( 8.882 0.000 4.268) 9.854 4.016 ( 6.927 0.000 -9.982) 12.150 4.170 ( -0.143 0.000 -0.142) 0.201 4.271 ( 4.889 0.000 3.910) 6.260 4.387 ( 5.917 0.000 4.754) 7.590 4.418 ( 2.995 0.000 -6.610) 7.257 4.580 ( 2.075 0.000 3.155) 3.776 4.787 ( 0.610 0.000 -3.695) 3.745 5.042 ( 2.772 0.000 -1.225) 3.030 5.088 ( -0.414 0.000 -1.687) 1.737 5.265 ( -0.786 0.000 -1.475) 1.671 5.476 ( 0.700 0.000 0.811) 1.072 5.508 ( -8.739 0.000 2.383) 9.058 5.765 ( -3.648 0.000 -1.381) 3.901 5.909 ( -4.259 0.000 0.532) 4.292 5.929 ( -2.218 0.000 0.542) 2.283 6.078 ( -11.267 0.000 -1.571) 11.376 6.352 ( -10.848 0.000 -2.948) 11.242 6.676 ( 4.895 0.000 1.938) 5.265 6.986 ( -0.750 0.000 -4.178) 4.244 7.316 ( -3.994 0.000 0.566) 4.034 7.399 ( 7.284 0.000 5.361) 9.044 7.609 ( -3.165 0.000 1.722) 3.603 7.683 ( -6.437 0.000 -0.565) 6.462 8.260 ( 8.513 0.000 -1.090) 8.583 8.517 ( 6.419 0.000 2.550) 6.907 9.025 ( 0.264 0.000 -3.472) 3.482 9.153 ( -4.803 0.000 -3.612) 6.010 9.405 ( -1.400 0.000 5.032) 5.223 9.563 ( -1.494 0.000 -2.986) 3.339 9.666 ( 0.965 0.000 0.738) 1.215 9.880 ( -0.435 0.000 2.957) 2.989 10.175 ( 9.250 0.000 -0.075) 9.251 10.249 ( 2.075 0.000 2.131) 2.974 10.401 ( -5.074 0.000 2.559) 5.683 10.759 ( 2.683 0.000 -3.720) 4.587 11.095 ( -14.106 0.000 -3.070) 14.436 11.238 ( -8.221 0.000 0.783) 8.258 11.490 ( -1.204 0.000 1.290) 1.765 11.679 ( -3.966 0.000 -1.916) 4.405 12.531 ( 6.929 0.000 1.408) 7.071 12.628 ( 9.587 0.000 -0.158) 9.588 12.927 ( -0.809 0.000 0.140) 0.821 13.107 ( 2.022 0.000 -0.508) 2.085 13.688 ( 8.070 0.000 -4.165) 9.081 13.827 ( 7.245 0.000 6.894) 10.001 13.917 ( -1.894 0.000 -2.239) 2.933 14.024 ( -1.678 0.000 0.783) 1.852 14.257 ( -3.304 0.000 1.143) 3.496 14.324 ( -2.208 0.000 0.803) 2.349 14.954 ( -6.332 0.000 -3.013) 7.012 15.196 ( -3.307 0.000 -0.185) 3.313 15.553 ( 3.780 0.000 0.353) 3.796 15.628 ( -2.373 0.000 1.085) 2.609 15.788 ( -1.076 0.000 0.197) 1.094 16.031 ( 12.183 0.000 1.913) 12.333 16.217 ( 7.080 0.000 -0.991) 7.149 16.289 ( -0.640 0.000 0.028) 0.640 17.006 ( -4.585 0.000 -1.836) 4.938 17.061 ( -3.409 0.000 -0.128) 3.411 19.307 ( 3.665 0.000 1.549) 3.979 19.399 ( 1.864 0.000 -1.803) 2.593 20.921 ( -2.050 0.000 -1.402) 2.484 21.000 ( -2.830 0.000 1.424) 3.168 21.468 ( 10.218 0.000 0.796) 10.249 21.864 ( 5.735 0.000 0.312) 5.744 22.733 ( -4.005 0.000 0.663) 4.059 23.036 ( -7.401 0.000 -1.018) 7.471 26.867 ( 20.511 0.000 4.960) 21.103 26.988 ( 20.591 0.000 -8.492) 22.273 28.815 ( -26.199 0.000 -1.786) 26.259 28.959 ( -25.757 0.000 3.593) 26.007 30.991 ( 8.112 0.000 -1.400) 8.232 31.119 ( 5.063 0.000 0.580) 5.096 31.358 ( 7.010 0.000 2.640) 7.490 31.532 ( 4.866 0.000 -1.042) 4.977 31.534 ( 7.429 0.000 3.608) 8.259 31.832 ( 5.919 0.000 -4.597) 7.495 32.133 ( -12.458 0.000 1.762) 12.582 32.382 ( -6.914 0.000 -1.171) 7.012 33.181 ( 10.447 0.000 -1.235) 10.520 33.280 ( 9.011 0.000 0.673) 9.036 33.853 ( -5.275 0.000 -0.106) 5.276 33.897 ( -7.817 0.000 -0.133) 7.818 35.251 ( -0.436 0.000 1.997) 2.044 35.492 ( 6.061 0.000 -3.398) 6.948 35.778 ( -1.173 0.000 1.522) 1.921 35.938 ( -3.358 0.000 1.810) 3.814 36.234 ( 0.455 0.000 2.820) 2.856 36.543 ( 5.458 0.000 2.020) 5.820 37.946 ( -10.145 0.000 -5.221) 11.410 38.198 ( -7.638 0.000 2.403) 8.008 ======================= Grid point 151 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 9.764 0.000 -1.917) 9.951 1.679 ( 0.266 0.000 1.429) 1.453 1.812 ( -4.450 0.000 -3.526) 5.678 2.066 ( 6.079 0.000 3.780) 7.159 2.145 ( 0.141 0.000 -4.351) 4.353 2.371 ( 9.189 0.000 -4.884) 10.406 2.547 ( 1.167 0.000 0.638) 1.331 2.710 ( 2.775 0.000 4.255) 5.080 2.793 ( -6.895 0.000 -1.376) 7.031 2.958 ( -18.077 0.000 7.232) 19.470 2.993 ( 9.251 0.000 4.721) 10.386 3.081 ( -1.792 0.000 -4.846) 5.167 3.237 ( 0.263 0.000 -2.954) 2.966 3.364 ( -9.210 0.000 1.548) 9.339 3.776 ( 5.705 0.000 -3.154) 6.519 3.829 ( -0.018 0.000 3.562) 3.562 4.001 ( 2.682 0.000 4.383) 5.139 4.149 ( 1.881 0.000 -6.643) 6.905 4.201 ( 4.064 0.000 1.269) 4.258 4.282 ( -1.255 0.000 4.802) 4.963 4.445 ( 5.471 0.000 -2.384) 5.967 4.568 ( 2.052 0.000 1.936) 2.821 4.687 ( 3.399 0.000 -0.773) 3.486 4.817 ( 3.156 0.000 -2.659) 4.127 5.033 ( 0.860 0.000 -0.537) 1.014 5.116 ( 0.413 0.000 0.617) 0.742 5.272 ( 1.344 0.000 -1.028) 1.692 5.390 ( -3.037 0.000 0.814) 3.144 5.489 ( 0.115 0.000 -2.697) 2.700 5.672 ( -3.488 0.000 0.114) 3.490 5.820 ( -5.674 0.000 4.105) 7.003 5.912 ( -0.363 0.000 1.563) 1.605 5.927 ( -0.012 0.000 -5.934) 5.934 6.121 ( -10.520 0.000 1.098) 10.577 6.794 ( 6.116 0.000 1.375) 6.269 6.933 ( -4.301 0.000 -2.120) 4.795 7.255 ( -1.391 0.000 -1.426) 1.992 7.433 ( -3.301 0.000 3.220) 4.611 7.575 ( 2.317 0.000 1.519) 2.770 7.664 ( 0.425 0.000 -1.584) 1.640 8.384 ( 3.603 0.000 0.307) 3.616 8.604 ( 2.030 0.000 1.413) 2.474 9.011 ( -1.208 0.000 -1.503) 1.928 9.105 ( -0.350 0.000 -2.475) 2.500 9.396 ( -0.027 0.000 3.024) 3.024 9.557 ( 0.846 0.000 -2.523) 2.661 9.688 ( 1.628 0.000 -0.561) 1.722 9.822 ( -4.515 0.000 1.725) 4.833 10.244 ( 1.153 0.000 1.607) 1.977 10.319 ( -2.740 0.000 0.460) 2.778 10.435 ( 12.359 0.000 4.370) 13.109 10.724 ( -9.948 0.000 -4.565) 10.945 10.908 ( -0.831 0.000 -2.584) 2.714 11.101 ( -4.963 0.000 1.345) 5.142 11.491 ( 0.513 0.000 0.396) 0.648 11.630 ( -1.099 0.000 -0.793) 1.355 12.616 ( 1.876 0.000 0.355) 1.910 12.749 ( 2.761 0.000 0.118) 2.764 12.923 ( 0.195 0.000 -0.041) 0.199 13.152 ( 1.831 0.000 -0.013) 1.831 13.827 ( 4.500 0.000 -1.019) 4.613 13.869 ( 0.892 0.000 -0.175) 0.909 13.880 ( -1.001 0.000 -1.278) 1.623 14.086 ( -3.489 0.000 2.845) 4.502 14.165 ( 4.236 0.000 3.684) 5.614 14.295 ( -3.134 0.000 -2.560) 4.047 14.859 ( -2.536 0.000 -1.596) 2.997 15.137 ( -2.191 0.000 0.282) 2.209 15.577 ( -0.589 0.000 0.022) 0.590 15.609 ( 0.536 0.000 0.272) 0.601 15.832 ( 3.766 0.000 0.907) 3.874 16.111 ( -5.888 0.000 -0.378) 5.900 16.241 ( 6.236 0.000 0.041) 6.236 16.440 ( 5.725 0.000 0.327) 5.734 16.916 ( -3.317 0.000 -1.096) 3.494 16.997 ( -2.355 0.000 -0.010) 2.355 19.373 ( 2.777 0.000 1.700) 3.256 19.410 ( -0.701 0.000 -1.739) 1.875 20.902 ( 0.168 0.000 -1.036) 1.049 20.950 ( -2.026 0.000 0.905) 2.219 21.659 ( 7.444 0.000 0.597) 7.468 21.908 ( -1.033 0.000 -0.113) 1.039 22.729 ( 3.598 0.000 1.228) 3.802 22.878 ( -7.771 0.000 -1.287) 7.877 27.257 ( 15.634 0.000 7.188) 17.208 27.329 ( 11.048 0.000 -9.150) 14.345 28.367 ( -15.762 0.000 -1.347) 15.820 28.536 ( -14.383 0.000 2.713) 14.637 31.117 ( 4.133 0.000 -0.047) 4.134 31.183 ( 1.233 0.000 0.022) 1.233 31.475 ( 3.913 0.000 1.201) 4.093 31.602 ( 2.302 0.000 -0.572) 2.372 31.675 ( 4.907 0.000 1.350) 5.090 31.889 ( 0.222 0.000 -2.222) 2.233 31.939 ( -5.826 0.000 0.480) 5.846 32.273 ( -3.413 0.000 -0.039) 3.413 33.368 ( 7.122 0.000 -1.531) 7.285 33.424 ( 5.020 0.000 1.665) 5.288 33.737 ( -6.891 0.000 -0.921) 6.952 33.758 ( -3.455 0.000 0.515) 3.493 35.247 ( -0.086 0.000 0.731) 0.736 35.605 ( 4.669 0.000 -2.524) 5.307 35.761 ( -0.797 0.000 2.156) 2.299 35.860 ( -3.422 0.000 0.050) 3.422 36.238 ( -0.036 0.000 1.298) 1.299 36.639 ( 3.120 0.000 1.673) 3.541 37.783 ( -4.922 0.000 -3.519) 6.050 38.092 ( -2.896 0.000 1.590) 3.303 ======================= Grid point 155 (77/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 4.794 0.000) 4.794 1.602 ( 0.000 4.108 0.000) 4.108 1.726 ( -0.000 15.724 0.000) 15.724 1.978 ( -0.000 5.650 0.000) 5.650 2.240 ( 0.000 7.927 0.000) 7.927 2.343 ( 0.000 -3.145 0.000) 3.145 2.362 ( -0.000 -0.503 -0.000) 0.503 2.626 ( -0.000 -2.405 0.000) 2.405 2.656 ( 0.000 -2.055 0.000) 2.055 2.826 ( -0.000 5.405 0.000) 5.405 2.990 ( 0.000 -10.024 0.000) 10.024 3.137 ( -0.000 -0.013 0.000) 0.013 3.281 ( 0.000 2.156 0.000) 2.156 3.541 ( -0.000 4.493 0.000) 4.493 3.652 ( -0.000 4.409 0.000) 4.409 3.754 ( 0.000 -3.780 0.000) 3.780 3.903 ( 0.000 -3.369 0.000) 3.369 4.026 ( -0.000 2.653 0.000) 2.653 4.240 ( -0.000 8.641 0.000) 8.641 4.324 ( -0.000 5.898 0.000) 5.898 4.353 ( 0.000 6.458 0.000) 6.458 4.469 ( 0.000 1.136 0.000) 1.136 4.731 ( 0.000 1.387 0.000) 1.387 4.800 ( -0.000 6.175 0.000) 6.175 4.870 ( 0.000 5.226 0.000) 5.226 5.127 ( 0.000 -0.776 0.000) 0.776 5.319 ( 0.000 3.245 0.000) 3.245 5.490 ( -0.000 2.524 0.000) 2.524 5.689 ( 0.000 -5.964 0.000) 5.964 5.877 ( -0.000 0.332 0.000) 0.332 5.992 ( 0.000 -3.435 0.000) 3.435 6.092 ( -0.000 4.392 0.000) 4.392 6.258 ( -0.000 2.863 0.000) 2.863 6.486 ( 0.000 -4.279 0.000) 4.279 6.751 ( 0.000 0.279 0.000) 0.279 6.867 ( 0.000 -1.318 0.000) 1.318 7.197 ( -0.000 2.981 0.000) 2.981 7.416 ( 0.000 -0.123 0.000) 0.123 7.733 ( 0.000 1.346 0.000) 1.346 7.937 ( -0.000 0.309 0.000) 0.309 8.126 ( 0.000 0.527 0.000) 0.527 8.166 ( 0.000 -2.306 0.000) 2.306 8.998 ( -0.000 -2.922 0.000) 2.922 9.360 ( 0.000 -6.305 0.000) 6.305 9.380 ( -0.000 -1.370 -0.000) 1.370 9.539 ( -0.000 -5.306 0.000) 5.306 9.579 ( 0.000 -0.646 0.000) 0.646 9.827 ( -0.000 -3.911 0.000) 3.911 9.941 ( -0.000 1.648 0.000) 1.648 10.202 ( 0.000 0.226 0.000) 0.226 10.552 ( 0.000 -3.795 0.000) 3.795 10.620 ( -0.000 -1.681 0.000) 1.681 11.432 ( 0.000 -2.869 0.000) 2.869 11.478 ( -0.000 -3.569 0.000) 3.569 11.625 ( 0.000 -1.165 0.000) 1.165 11.813 ( 0.000 -3.714 0.000) 3.714 12.200 ( -0.000 1.947 0.000) 1.947 12.285 ( -0.000 0.481 0.000) 0.481 12.967 ( -0.000 -0.081 0.000) 0.081 13.050 ( 0.000 -2.504 0.000) 2.504 13.467 ( -0.000 0.413 0.000) 0.413 13.549 ( 0.000 -0.617 0.000) 0.617 14.040 ( 0.000 -1.748 0.000) 1.748 14.082 ( 0.000 -2.908 0.000) 2.908 14.240 ( 0.000 3.811 0.000) 3.811 14.400 ( 0.000 -0.350 0.000) 0.350 15.259 ( -0.000 3.183 0.000) 3.183 15.314 ( 0.000 0.184 0.000) 0.184 15.401 ( -0.000 -0.437 0.000) 0.437 15.475 ( 0.000 0.496 0.000) 0.496 15.752 ( -0.000 0.165 0.000) 0.165 15.852 ( -0.000 1.386 0.000) 1.386 16.021 ( -0.000 -3.144 0.000) 3.144 16.295 ( -0.000 -4.326 0.000) 4.326 17.101 ( -0.000 0.717 0.000) 0.717 17.138 ( 0.000 0.408 0.000) 0.408 19.227 ( -0.000 2.363 0.000) 2.363 19.342 ( -0.000 1.140 0.000) 1.140 20.988 ( 0.000 0.959 0.000) 0.959 21.077 ( 0.000 -0.912 0.000) 0.912 21.305 ( -0.000 4.553 0.000) 4.553 21.631 ( 0.000 -1.688 0.000) 1.688 22.949 ( 0.000 3.318 0.000) 3.318 23.182 ( 0.000 -0.746 0.000) 0.746 26.403 ( -0.000 -0.151 0.000) 0.151 26.428 ( 0.000 -0.687 0.000) 0.687 29.611 ( 0.000 -0.617 0.000) 0.617 29.638 ( -0.000 -0.857 0.000) 0.857 30.683 ( 0.000 -4.186 0.000) 4.186 30.828 ( -0.000 -4.742 0.000) 4.742 31.172 ( -0.000 -1.078 0.000) 1.078 31.290 ( -0.000 -1.881 0.000) 1.881 31.520 ( -0.000 5.332 0.000) 5.332 31.573 ( 0.000 0.730 0.000) 0.730 32.578 ( -0.000 0.040 0.000) 0.040 32.605 ( 0.000 -0.795 0.000) 0.795 32.839 ( -0.000 -1.167 0.000) 1.167 32.918 ( -0.000 -2.562 0.000) 2.562 33.990 ( 0.000 0.920 0.000) 0.920 34.062 ( -0.000 -0.339 0.000) 0.339 35.333 ( -0.000 5.536 0.000) 5.536 35.395 ( 0.000 4.625 0.000) 4.625 35.882 ( 0.000 0.864 0.000) 0.864 35.937 ( -0.000 0.815 0.000) 0.815 36.236 ( -0.000 3.369 0.000) 3.369 36.426 ( 0.000 -0.584 0.000) 0.584 38.182 ( 0.000 -3.376 0.000) 3.376 38.369 ( -0.000 -6.172 0.000) 6.172 ======================= Grid point 157 (78/88) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -7.376 11.772 0.766) 13.913 1.630 ( 1.561 4.758 5.832) 7.687 1.690 ( 3.090 2.654 -1.403) 4.308 1.998 ( 1.281 5.050 -4.105) 6.633 2.137 ( -6.223 1.782 -5.531) 8.514 2.310 ( 4.855 8.512 -0.269) 9.803 2.476 ( 1.797 -2.470 -0.948) 3.199 2.625 ( 2.273 1.965 3.746) 4.802 2.752 ( 1.077 -4.021 0.750) 4.230 2.954 ( 9.305 -3.084 0.059) 9.803 3.035 ( 2.041 -1.989 1.012) 3.024 3.250 ( 8.225 -5.111 4.696) 10.762 3.326 ( 6.699 1.698 3.648) 7.815 3.556 ( 0.259 7.450 -4.297) 8.605 3.658 ( 1.405 3.346 2.494) 4.403 3.776 ( -0.600 0.296 0.658) 0.938 3.863 ( -1.702 1.057 -1.150) 2.310 3.921 ( -1.903 1.939 0.036) 2.717 4.245 ( -3.324 5.918 -1.816) 7.026 4.263 ( -3.704 4.451 -2.865) 6.461 4.376 ( 1.967 2.511 -1.947) 3.737 4.469 ( 0.488 4.724 4.106) 6.278 4.659 ( -2.937 4.372 1.850) 5.583 4.842 ( 0.902 6.046 -3.748) 7.170 4.927 ( 4.864 1.770 -0.786) 5.236 5.095 ( -2.657 -2.418 -3.662) 5.130 5.323 ( -0.556 3.405 0.411) 3.474 5.481 ( -0.038 1.522 2.772) 3.163 5.644 ( -6.086 -5.292 1.156) 8.147 5.817 ( -3.247 1.907 1.558) 4.076 5.954 ( -1.996 -1.679 1.168) 2.858 6.064 ( -5.265 2.486 -0.405) 5.837 6.239 ( -2.365 2.196 -0.800) 3.325 6.476 ( -3.283 -3.874 -4.786) 6.977 6.667 ( -2.387 2.508 1.416) 3.741 6.947 ( 3.843 -1.799 -2.114) 4.740 7.246 ( 5.018 1.084 2.493) 5.707 7.384 ( -3.215 -0.915 1.056) 3.506 7.686 ( -2.651 3.426 3.234) 5.406 7.901 ( -10.015 0.595 0.891) 10.073 8.086 ( 7.358 0.463 -3.915) 8.347 8.314 ( 7.793 -4.369 1.243) 9.020 9.007 ( 0.950 -2.049 -2.081) 3.071 9.239 ( -6.923 -2.885 -2.034) 7.771 9.419 ( -0.328 -3.509 2.742) 4.466 9.532 ( -0.755 -3.870 0.608) 3.990 9.606 ( 1.804 -2.512 0.789) 3.192 9.840 ( 1.706 -2.200 2.989) 4.084 9.998 ( 5.313 -0.521 -2.059) 5.722 10.216 ( 1.182 -0.600 -0.441) 1.397 10.493 ( -4.302 -1.338 2.603) 5.203 10.663 ( 2.765 -3.268 -2.743) 5.084 11.320 ( -10.224 -3.002 -0.908) 10.695 11.381 ( -8.570 -2.819 -0.134) 9.023 11.555 ( -4.359 0.478 0.934) 4.484 11.758 ( -4.540 -2.305 -1.593) 5.335 12.350 ( 11.362 0.606 1.240) 11.445 12.410 ( 10.820 0.239 0.291) 10.826 12.951 ( -1.361 -0.096 -0.283) 1.393 13.051 ( 0.603 -2.608 -0.825) 2.801 13.536 ( 7.274 0.811 -1.747) 7.525 13.649 ( 7.747 -0.892 2.673) 8.243 13.967 ( -4.740 -1.527 0.970) 5.073 14.067 ( -2.744 -2.734 -1.361) 4.106 14.267 ( 1.819 2.781 -0.015) 3.323 14.388 ( -1.653 0.125 2.150) 2.715 15.119 ( -7.827 2.422 -2.185) 8.480 15.260 ( -5.759 -1.380 -0.034) 5.922 15.465 ( 6.054 1.592 0.723) 6.301 15.617 ( 6.127 -0.078 -0.118) 6.128 15.794 ( 4.270 0.869 0.936) 4.457 15.907 ( -1.589 -2.046 1.497) 2.992 15.978 ( 6.435 -0.027 -0.993) 6.511 16.295 ( -1.387 -5.109 -0.873) 5.366 17.079 ( -2.265 0.494 -0.898) 2.486 17.118 ( -2.093 0.234 -0.502) 2.165 19.257 ( 2.798 1.979 0.619) 3.483 19.369 ( 2.323 1.174 -1.454) 2.982 20.968 ( -1.868 0.478 -0.343) 1.958 21.047 ( -2.842 -0.945 1.282) 3.258 21.358 ( 5.808 4.960 0.807) 7.680 21.709 ( 6.936 -1.646 -0.157) 7.130 22.884 ( -5.782 3.612 0.476) 6.834 23.143 ( -4.030 -0.842 -0.622) 4.164 26.525 ( 12.881 0.172 1.097) 12.928 26.603 ( 15.652 -1.204 -3.360) 16.054 29.322 ( -22.923 0.310 -1.121) 22.952 29.432 ( -20.988 -1.433 2.569) 21.193 30.794 ( 9.556 -2.376 -3.034) 10.303 30.950 ( 8.889 -3.950 1.954) 9.922 31.214 ( 4.444 -0.905 1.397) 4.745 31.355 ( 6.219 -2.133 0.560) 6.598 31.515 ( 1.213 3.581 2.411) 4.484 31.679 ( 7.775 0.208 -3.305) 8.451 32.393 ( -13.016 0.089 2.023) 13.173 32.508 ( -7.960 -1.541 -1.985) 8.347 32.973 ( 9.956 -0.807 -2.247) 10.238 33.059 ( 10.461 -2.173 1.754) 10.828 33.952 ( -3.674 0.767 -0.138) 3.756 34.017 ( -4.535 -0.378 -0.015) 4.550 35.315 ( -1.191 4.912 2.472) 5.626 35.447 ( 4.532 5.311 -2.953) 7.581 35.825 ( -3.073 0.272 1.099) 3.275 35.991 ( 1.994 2.136 2.935) 4.142 36.249 ( 1.348 3.407 -0.018) 3.664 36.440 ( 1.805 -1.381 0.320) 2.295 38.097 ( -7.911 -3.383 -1.417) 8.720 38.294 ( -6.917 -5.758 0.549) 9.017 ======================= Grid point 158 (79/88) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 8.390 11.848 -4.133) 15.095 1.663 ( 0.810 0.907 1.414) 1.865 1.781 ( 4.338 -4.963 -0.291) 6.598 1.989 ( -0.681 2.076 -0.452) 2.231 2.110 ( 2.203 5.438 -6.582) 8.817 2.359 ( 1.769 5.090 -0.703) 5.434 2.573 ( -0.069 -3.908 2.359) 4.565 2.662 ( 6.022 3.624 3.170) 7.710 2.783 ( 3.209 2.703 0.330) 4.208 2.957 ( -3.009 -2.647 -0.747) 4.077 3.060 ( -1.910 1.392 2.419) 3.382 3.244 ( -5.925 -4.189 7.848) 10.689 3.389 ( -7.898 2.236 -2.063) 8.464 3.580 ( -2.899 2.266 -6.027) 7.061 3.661 ( 3.333 4.028 2.300) 5.712 3.804 ( 5.516 6.603 3.887) 9.441 3.938 ( 8.146 4.069 4.752) 10.271 4.048 ( 6.960 2.048 -3.083) 7.883 4.174 ( -0.254 0.802 -0.738) 1.119 4.269 ( 6.162 -1.677 0.064) 6.386 4.414 ( 3.242 2.655 -5.290) 6.748 4.495 ( 2.272 6.047 3.397) 7.298 4.651 ( 2.188 7.019 3.521) 8.152 4.851 ( 0.185 5.954 -5.052) 7.811 4.990 ( 0.241 -4.630 -3.171) 5.617 5.052 ( 0.388 -1.513 -0.291) 1.589 5.297 ( -1.433 2.387 -0.164) 2.789 5.466 ( -5.477 -2.156 -0.395) 5.900 5.516 ( -1.960 1.122 2.742) 3.552 5.770 ( -2.817 0.767 -0.300) 2.935 5.891 ( -4.704 -0.738 1.330) 4.943 5.963 ( -3.663 1.903 0.808) 4.206 6.108 ( -9.053 2.764 -1.800) 9.635 6.341 ( -9.354 -1.127 -3.200) 9.950 6.707 ( 4.942 3.222 2.069) 6.251 6.984 ( 0.191 -0.245 -3.543) 3.557 7.302 ( -4.077 -1.338 0.895) 4.383 7.382 ( 6.935 -1.705 4.569) 8.478 7.628 ( -5.872 1.999 1.484) 6.378 7.709 ( -5.653 2.086 -1.449) 6.197 8.248 ( 7.611 -1.228 -1.050) 7.781 8.459 ( 6.675 -5.290 1.631) 8.672 9.023 ( -0.092 -1.469 -2.972) 3.317 9.123 ( -3.771 -1.568 -1.894) 4.502 9.391 ( -2.001 -2.742 2.198) 4.044 9.520 ( -0.016 -2.900 -0.848) 3.021 9.635 ( 1.394 -2.424 0.641) 2.869 9.861 ( -1.095 -2.035 2.888) 3.699 10.141 ( 8.454 -2.480 0.656) 8.835 10.241 ( 1.999 -1.564 1.867) 3.152 10.411 ( -3.807 1.189 1.056) 4.125 10.708 ( 1.727 -4.576 -3.210) 5.850 11.080 ( -12.889 -1.214 -2.127) 13.119 11.203 ( -8.741 -3.222 0.592) 9.335 11.502 ( -0.893 1.218 0.924) 1.770 11.675 ( -3.182 -0.587 -1.806) 3.705 12.543 ( 7.458 1.133 1.239) 7.645 12.631 ( 9.771 0.146 0.028) 9.773 12.929 ( -0.508 0.308 -0.087) 0.600 13.080 ( 2.299 -2.508 -0.469) 3.434 13.694 ( 7.286 0.386 -3.507) 8.096 13.800 ( 4.992 -2.450 4.545) 7.182 13.906 ( -0.456 -0.596 -0.316) 0.814 14.013 ( -0.067 -1.427 -0.653) 1.571 14.269 ( -3.347 1.116 1.632) 3.888 14.332 ( -2.842 0.679 1.738) 3.399 14.973 ( -6.858 1.878 -2.723) 7.614 15.177 ( -3.046 -1.586 -0.027) 3.435 15.555 ( 3.084 0.297 0.192) 3.105 15.637 ( -2.008 0.586 0.856) 2.260 15.794 ( -0.912 0.417 0.375) 1.071 16.020 ( 10.132 -1.388 2.251) 10.471 16.191 ( 4.688 -2.948 -0.906) 5.611 16.245 ( 3.549 -2.844 -1.402) 4.759 17.010 ( -4.522 0.388 -1.422) 4.756 17.057 ( -3.862 -0.380 -0.527) 3.916 19.324 ( 3.646 1.656 1.104) 4.154 19.413 ( 1.775 1.081 -1.715) 2.695 20.923 ( -2.163 0.173 -1.043) 2.408 20.990 ( -2.790 -0.927 1.447) 3.277 21.520 ( 9.812 4.708 0.884) 10.919 21.852 ( 6.173 -1.284 0.417) 6.319 22.771 ( -4.391 3.596 0.594) 5.707 23.029 ( -7.189 -0.730 -0.902) 7.282 26.870 ( 20.530 0.312 4.299) 20.977 26.973 ( 20.649 -1.425 -7.195) 21.913 28.823 ( -26.015 0.819 -1.013) 26.048 28.950 ( -25.504 -0.879 2.950) 25.689 30.981 ( 8.588 -0.892 -1.241) 8.723 31.098 ( 5.655 -2.141 0.724) 6.090 31.341 ( 7.594 -0.962 1.284) 7.762 31.499 ( 6.950 -2.095 -0.490) 7.276 31.574 ( 4.766 2.457 3.159) 6.223 31.814 ( 5.208 -1.788 -3.618) 6.589 32.141 ( -12.090 0.889 1.468) 12.212 32.349 ( -7.591 -2.836 -0.979) 8.163 33.176 ( 10.471 -0.424 -1.006) 10.527 33.259 ( 9.301 -1.920 0.746) 9.526 33.856 ( -5.658 0.272 -0.083) 5.665 33.893 ( -7.751 -0.370 -0.170) 7.761 35.299 ( -0.588 4.524 1.897) 4.941 35.555 ( 6.328 5.695 -3.527) 9.215 35.780 ( -1.671 -0.198 3.158) 3.578 35.983 ( -2.648 4.069 0.339) 4.866 36.273 ( 0.554 3.613 1.772) 4.062 36.511 ( 5.130 -2.871 1.641) 6.104 37.908 ( -10.008 -3.244 -4.692) 11.520 38.141 ( -7.625 -5.430 2.398) 9.663 ======================= Grid point 159 (80/88) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 4.153 1.907 -3.496) 5.754 1.661 ( -0.464 -1.863 -0.746) 2.060 1.848 ( 2.194 4.691 0.719) 5.229 2.055 ( 7.121 0.874 -0.192) 7.177 2.144 ( 0.976 -0.408 -3.703) 3.851 2.365 ( -1.479 0.025 0.538) 1.573 2.591 ( 2.193 -0.216 0.632) 2.292 2.708 ( 3.380 4.360 2.278) 5.969 2.803 ( -4.367 -1.396 -3.784) 5.945 2.932 ( -7.035 4.019 4.553) 9.294 3.052 ( 4.715 2.954 4.148) 6.940 3.106 ( -3.451 4.027 -1.013) 5.399 3.287 ( -0.201 2.801 1.658) 3.261 3.406 ( -8.876 3.891 -2.593) 10.033 3.775 ( 4.081 0.140 -3.873) 5.628 3.842 ( -1.620 1.681 5.457) 5.936 4.036 ( 2.459 2.463 1.277) 3.707 4.122 ( 1.107 -1.634 -4.656) 5.057 4.225 ( 3.501 1.461 4.778) 6.101 4.420 ( 4.313 9.259 1.201) 10.284 4.479 ( 3.874 0.747 -3.576) 5.325 4.549 ( 0.348 1.485 1.766) 2.333 4.758 ( 5.665 5.928 2.243) 8.501 4.843 ( -0.390 3.665 -3.417) 5.026 4.994 ( 2.002 -3.503 -0.451) 4.059 5.079 ( 0.452 -2.491 -0.687) 2.623 5.294 ( 1.825 -0.447 -0.923) 2.094 5.355 ( -3.969 -0.999 -1.220) 4.271 5.490 ( -2.120 0.192 0.314) 2.152 5.714 ( -1.055 3.475 -0.524) 3.669 5.791 ( -5.963 -0.758 3.284) 6.850 5.915 ( 0.899 -0.737 -0.956) 1.505 5.997 ( -2.374 5.260 -1.183) 5.891 6.147 ( -8.202 2.612 -0.060) 8.608 6.820 ( 5.632 2.448 1.102) 6.239 6.947 ( -3.638 1.171 -1.572) 4.133 7.249 ( -0.908 -0.462 -0.894) 1.355 7.431 ( -3.038 -0.057 2.421) 3.885 7.568 ( 3.015 -1.139 2.515) 4.088 7.654 ( -2.277 -1.050 -2.800) 3.759 8.360 ( 3.350 -2.226 0.207) 4.028 8.554 ( 2.359 -4.512 0.905) 5.172 8.988 ( -1.760 -2.076 -1.617) 3.165 9.103 ( 0.371 -0.757 -0.980) 1.293 9.363 ( -0.726 -2.812 1.030) 3.082 9.533 ( 0.895 -2.769 -0.919) 3.052 9.676 ( 2.968 -0.796 -0.382) 3.096 9.792 ( -4.977 -2.356 1.549) 5.720 10.238 ( 2.566 -0.504 2.057) 3.327 10.312 ( -1.628 -0.647 0.191) 1.762 10.422 ( 9.853 -1.066 3.155) 10.400 10.670 ( -8.000 -5.027 -4.179) 10.331 10.895 ( -2.848 -0.858 -1.882) 3.520 11.061 ( -4.908 -3.614 1.073) 6.189 11.506 ( 0.596 1.536 0.318) 1.679 11.637 ( -0.810 0.397 -0.753) 1.174 12.635 ( 2.045 1.793 0.379) 2.746 12.756 ( 2.839 0.441 0.156) 2.878 12.932 ( 0.501 0.958 -0.140) 1.090 13.130 ( 2.047 -2.126 -0.041) 2.951 13.785 ( 1.833 -3.124 -0.691) 3.687 13.809 ( -1.489 -3.934 0.518) 4.238 13.935 ( 4.145 3.117 -2.272) 5.662 14.089 ( -1.886 -0.019 2.929) 3.484 14.182 ( 2.604 1.453 2.216) 3.715 14.289 ( -3.245 -0.501 -1.068) 3.453 14.864 ( -3.310 0.811 -1.420) 3.692 15.127 ( -1.752 -1.074 0.235) 2.068 15.588 ( 0.444 0.804 -0.174) 0.935 15.611 ( -0.234 0.357 0.407) 0.590 15.828 ( 3.417 -0.457 0.944) 3.574 16.036 ( -5.482 -6.413 -0.592) 8.458 16.256 ( 5.489 1.144 -0.136) 5.609 16.421 ( 6.049 -1.855 0.288) 6.334 16.922 ( -3.272 0.556 -0.919) 3.443 16.985 ( -2.595 -1.003 -0.183) 2.788 19.390 ( 2.712 1.500 1.319) 3.368 19.424 ( -0.593 1.220 -1.489) 2.015 20.900 ( -0.051 -0.128 -0.828) 0.840 20.942 ( -1.831 -0.713 0.839) 2.137 21.701 ( 7.012 3.823 0.576) 8.008 21.909 ( -0.331 0.001 0.008) 0.331 22.752 ( 2.592 2.129 1.053) 3.516 22.879 ( -7.185 0.062 -1.136) 7.274 27.257 ( 15.355 0.076 6.188) 16.556 27.319 ( 11.496 -0.900 -7.870) 13.961 28.379 ( -15.652 1.153 -0.942) 15.723 28.527 ( -14.481 -0.839 2.283) 14.684 31.111 ( 4.152 -0.599 -0.074) 4.196 31.167 ( 1.273 -1.532 0.092) 1.994 31.476 ( 4.956 0.202 0.622) 4.999 31.583 ( 1.667 -1.409 -0.397) 2.219 31.688 ( 4.911 0.745 1.377) 5.154 31.866 ( 0.160 -2.711 -2.120) 3.445 31.952 ( -5.741 1.866 0.739) 6.082 32.230 ( -3.776 -3.764 -0.060) 5.332 33.361 ( 6.890 -0.674 -1.194) 7.025 33.410 ( 5.300 -1.318 1.374) 5.632 33.735 ( -6.505 -0.252 -0.638) 6.541 33.756 ( -3.931 -0.283 0.285) 3.951 35.293 ( -0.138 4.343 0.686) 4.400 35.676 ( 5.595 5.685 -4.598) 9.207 35.753 ( -1.785 -0.240 5.316) 5.613 35.914 ( -3.187 5.119 -1.087) 6.128 36.275 ( -0.096 3.428 0.926) 3.552 36.605 ( 3.132 -3.272 1.480) 4.765 37.748 ( -4.843 -3.000 -3.164) 6.516 38.032 ( -3.004 -5.647 1.551) 6.582 ======================= Grid point 163 (81/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.000 0.658 0.000) 0.658 1.615 ( 0.000 -1.806 0.000) 1.806 2.078 ( 0.000 11.486 0.000) 11.486 2.110 ( -0.000 4.384 0.000) 4.384 2.288 ( 0.000 4.238 0.000) 4.238 2.388 ( -0.000 3.879 -0.000) 3.879 2.474 ( 0.000 6.717 0.000) 6.717 2.589 ( 0.000 -4.682 -0.000) 4.682 2.594 ( -0.000 2.436 0.000) 2.436 2.802 ( 0.000 -7.358 0.000) 7.358 2.888 ( -0.000 1.772 0.000) 1.772 3.166 ( 0.000 -10.334 0.000) 10.334 3.230 ( -0.000 9.056 0.000) 9.056 3.653 ( -0.000 -5.023 0.000) 5.023 3.723 ( -0.000 2.976 -0.000) 2.976 3.739 ( 0.000 6.837 0.000) 6.837 3.903 ( -0.000 3.174 0.000) 3.174 4.047 ( 0.000 -1.271 0.000) 1.271 4.371 ( -0.000 1.654 0.000) 1.654 4.386 ( 0.000 4.192 0.000) 4.192 4.547 ( -0.000 12.643 -0.000) 12.643 4.548 ( 0.000 5.811 0.000) 5.811 4.760 ( 0.000 0.859 0.000) 0.859 4.989 ( -1.626 7.007 -0.931) 7.254 4.989 ( 1.626 7.022 0.931) 7.268 5.065 ( 0.000 -2.421 0.000) 2.421 5.387 ( -0.000 3.029 0.000) 3.029 5.550 ( -0.000 -7.353 0.000) 7.353 5.566 ( 0.000 4.193 0.000) 4.193 5.784 ( 0.000 -9.010 0.000) 9.010 6.014 ( -0.000 5.439 0.000) 5.439 6.174 ( -0.000 2.227 0.000) 2.227 6.325 ( -0.000 2.914 0.000) 2.914 6.381 ( 0.000 -4.911 0.000) 4.911 6.745 ( 0.000 -0.400 0.000) 0.400 6.825 ( 0.000 -2.833 0.000) 2.833 7.272 ( -0.000 4.062 0.000) 4.062 7.398 ( -0.000 -1.819 0.000) 1.819 7.783 ( 0.000 3.446 0.000) 3.446 7.925 ( -0.000 -2.064 0.000) 2.064 8.129 ( 0.000 -0.868 0.000) 0.868 8.130 ( -0.000 -0.145 -0.000) 0.145 8.938 ( 0.000 -1.632 0.000) 1.632 9.173 ( 0.000 -10.998 0.000) 10.998 9.365 ( -0.000 0.146 0.000) 0.146 9.443 ( -0.000 -3.843 0.000) 3.843 9.590 ( -0.000 1.811 0.000) 1.811 9.737 ( -0.000 -4.760 0.000) 4.760 9.976 ( -0.000 2.081 0.000) 2.081 10.152 ( 0.000 -5.213 0.000) 5.213 10.506 ( 0.000 -0.031 0.000) 0.031 10.579 ( -0.000 -2.314 0.000) 2.314 11.370 ( 0.000 -2.572 0.000) 2.572 11.399 ( -0.000 -3.709 0.000) 3.709 11.619 ( 0.000 0.736 0.000) 0.736 11.729 ( 0.000 -4.242 0.000) 4.242 12.240 ( -0.000 1.861 0.000) 1.861 12.287 ( -0.000 -0.336 0.000) 0.336 12.963 ( -0.000 -0.245 0.000) 0.245 12.996 ( -0.000 -2.391 0.000) 2.391 13.481 ( -0.000 0.962 0.000) 0.962 13.531 ( 0.000 -1.140 0.000) 1.140 14.006 ( -0.000 -1.202 0.000) 1.202 14.030 ( 0.000 -2.163 0.000) 2.163 14.312 ( 0.000 3.175 0.000) 3.175 14.389 ( 0.000 -0.849 0.000) 0.849 15.332 ( -0.000 1.504 -0.000) 1.504 15.336 ( 0.000 3.593 0.000) 3.593 15.401 ( 0.000 0.824 0.000) 0.824 15.478 ( -0.000 -0.463 0.000) 0.463 15.757 ( -0.000 0.386 0.000) 0.386 15.838 ( -0.000 -3.054 0.000) 3.054 16.001 ( -0.000 1.995 0.000) 1.995 16.186 ( 0.000 -5.987 0.000) 5.987 17.119 ( 0.000 1.037 0.000) 1.037 17.144 ( 0.000 0.038 0.000) 0.038 19.284 ( 0.000 2.992 0.000) 2.992 19.356 ( -0.000 -0.048 0.000) 0.048 21.011 ( 0.000 1.302 0.000) 1.302 21.058 ( -0.000 -0.972 0.000) 0.972 21.409 ( -0.000 5.406 0.000) 5.406 21.583 ( 0.000 -3.045 0.000) 3.045 23.029 ( 0.000 4.233 0.000) 4.233 23.157 ( 0.000 -1.838 0.000) 1.838 26.400 ( -0.000 -0.060 0.000) 0.060 26.413 ( 0.000 -0.698 0.000) 0.698 29.598 ( 0.000 -0.566 0.000) 0.566 29.615 ( -0.000 -1.271 0.000) 1.271 30.615 ( 0.000 -1.735 0.000) 1.735 30.715 ( -0.000 -5.715 0.000) 5.715 31.178 ( -0.000 1.362 0.000) 1.362 31.252 ( 0.000 -1.855 0.000) 1.855 31.595 ( -0.000 1.312 0.000) 1.312 31.601 ( 0.000 2.336 -0.000) 2.336 32.580 ( -0.000 0.157 0.000) 0.157 32.590 ( 0.000 -0.578 -0.000) 0.578 32.816 ( -0.000 -0.748 0.000) 0.748 32.861 ( 0.000 -2.744 0.000) 2.744 34.011 ( -0.000 1.105 0.000) 1.105 34.051 ( -0.000 -0.789 0.000) 0.789 35.472 ( -0.000 7.530 0.000) 7.530 35.514 ( 0.000 6.449 0.000) 6.449 35.859 ( 0.000 -2.952 0.000) 2.952 35.910 ( -0.000 -3.788 0.000) 3.788 36.337 ( 0.000 5.692 0.000) 5.692 36.429 ( 0.000 0.655 0.000) 0.655 38.117 ( 0.000 -2.224 0.000) 2.224 38.225 ( 0.000 -7.115 0.000) 7.115 ======================= Grid point 165 (82/88) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -1.449 1.415 0.244) 2.040 1.637 ( 1.437 -2.918 -2.616) 4.174 1.919 ( -9.839 13.169 3.650) 16.839 2.109 ( -1.867 6.248 -3.961) 7.629 2.228 ( -0.273 2.796 2.274) 3.614 2.358 ( -3.393 -4.392 -1.266) 5.692 2.452 ( 0.179 2.207 -3.120) 3.826 2.645 ( 4.901 -3.432 -2.879) 6.640 2.737 ( 5.967 4.340 0.738) 7.415 2.902 ( 11.401 -2.734 0.043) 11.725 3.010 ( 0.955 2.099 0.683) 2.405 3.160 ( 9.413 -3.226 7.655) 12.555 3.399 ( 8.480 5.938 5.783) 11.858 3.642 ( -2.816 0.359 2.770) 3.967 3.725 ( -0.713 0.911 4.553) 4.698 3.769 ( 6.639 0.519 -7.827) 10.277 3.915 ( 1.752 4.752 -2.738) 5.757 4.017 ( -0.257 2.906 -0.717) 3.004 4.297 ( -6.182 0.259 -1.711) 6.419 4.337 ( -5.028 -0.924 -3.877) 6.416 4.455 ( -4.273 10.731 -1.540) 11.653 4.612 ( 2.138 8.105 2.739) 8.818 4.749 ( -0.242 2.502 5.040) 5.632 4.950 ( -3.338 -1.091 -3.430) 4.909 5.019 ( 0.638 6.686 -3.247) 7.460 5.066 ( 1.665 4.943 -1.965) 5.574 5.386 ( -1.326 2.034 0.042) 2.429 5.505 ( -4.029 -3.177 -1.485) 5.341 5.543 ( -1.105 -0.171 6.604) 6.698 5.775 ( -1.695 -7.217 0.131) 7.414 5.974 ( -2.677 5.131 2.152) 6.174 6.123 ( -5.117 1.838 0.170) 5.440 6.279 ( -4.368 1.404 -1.615) 4.864 6.385 ( -1.234 -4.150 -4.012) 5.903 6.731 ( 1.352 3.789 2.461) 4.716 6.897 ( 4.739 -3.270 0.065) 5.758 7.271 ( 0.859 1.518 0.450) 1.801 7.354 ( -3.910 -1.989 0.525) 4.418 7.778 ( -0.994 5.227 1.158) 5.445 7.909 ( -6.968 -0.172 0.381) 6.980 8.091 ( 4.749 0.115 -2.723) 5.476 8.209 ( 4.394 -5.519 0.289) 7.061 8.954 ( 1.345 -1.712 -0.640) 2.269 9.148 ( -2.408 -7.554 -1.358) 8.044 9.335 ( -1.678 -1.199 -0.405) 2.102 9.457 ( 0.122 -4.495 1.257) 4.669 9.598 ( 0.856 2.124 0.982) 2.492 9.765 ( 2.485 -4.762 1.944) 5.713 10.005 ( 3.045 1.265 0.113) 3.299 10.156 ( 0.465 -5.015 0.405) 5.052 10.490 ( -1.459 1.262 0.421) 1.975 10.593 ( 1.125 -3.388 -1.425) 3.844 11.267 ( -8.979 -1.703 -0.438) 9.149 11.312 ( -8.077 -3.462 0.150) 8.789 11.575 ( -3.086 1.664 0.142) 3.509 11.696 ( -2.737 -3.622 -1.151) 4.683 12.369 ( 10.782 1.177 0.737) 10.871 12.409 ( 10.556 -0.451 0.293) 10.570 12.949 ( -0.928 0.047 -0.156) 0.943 12.995 ( 0.382 -2.525 -0.584) 2.620 13.555 ( 7.121 1.168 -1.460) 7.363 13.622 ( 7.397 -1.763 0.382) 7.614 13.946 ( -4.280 -0.275 0.682) 4.343 14.007 ( -2.672 -2.891 -0.303) 3.948 14.325 ( 0.384 2.663 1.555) 3.108 14.386 ( -0.807 -0.413 2.556) 2.712 15.178 ( -8.009 3.017 -2.144) 8.823 15.241 ( -6.665 -0.618 -0.326) 6.701 15.509 ( 5.412 2.890 0.348) 6.145 15.612 ( 5.890 -0.659 0.045) 5.927 15.797 ( 2.156 -0.542 0.865) 2.385 15.846 ( 3.149 -3.281 2.722) 5.300 16.005 ( 2.982 2.582 -1.773) 4.325 16.178 ( -0.956 -5.886 -2.478) 6.457 17.093 ( -2.613 0.851 -0.710) 2.838 17.119 ( -2.512 -0.181 -0.724) 2.621 19.308 ( 2.395 2.890 0.058) 3.754 19.383 ( 2.311 -0.082 -1.325) 2.665 20.982 ( -2.504 0.919 0.236) 2.678 21.026 ( -2.875 -1.115 1.144) 3.289 21.473 ( 6.219 5.945 0.849) 8.646 21.661 ( 6.960 -3.172 0.134) 7.650 22.972 ( -5.252 4.662 0.317) 7.030 23.114 ( -4.231 -2.082 -0.363) 4.730 26.532 ( 13.325 0.542 0.628) 13.351 26.574 ( 14.887 -1.479 -1.771) 15.064 29.332 ( -21.996 0.803 0.123) 22.011 29.395 ( -20.715 -2.081 1.659) 20.885 30.755 ( 11.282 -0.927 -1.657) 11.441 30.852 ( 10.647 -5.084 0.656) 11.817 31.222 ( 4.412 1.448 0.345) 4.657 31.308 ( 5.472 -2.381 0.001) 5.967 31.585 ( 1.064 3.231 2.030) 3.961 31.674 ( 4.876 -0.873 -1.844) 5.286 32.403 ( -11.997 0.973 0.983) 12.077 32.471 ( -9.464 -2.008 -0.982) 9.724 32.960 ( 10.544 -0.234 -0.986) 10.592 33.009 ( 10.591 -2.475 1.159) 10.937 33.969 ( -4.067 0.908 -0.097) 4.168 34.005 ( -4.541 -0.771 -0.112) 4.607 35.441 ( -1.695 7.154 2.219) 7.680 35.572 ( 4.218 5.550 -2.441) 7.387 35.808 ( -2.257 -0.932 2.890) 3.783 35.988 ( 4.592 -3.459 0.960) 5.829 36.343 ( 0.726 5.170 -1.648) 5.475 36.429 ( 0.211 0.330 -0.354) 0.528 38.034 ( -7.733 -1.978 -0.928) 8.035 38.156 ( -6.575 -7.122 0.697) 9.718 ======================= Grid point 166 (83/88) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.793 0.147 -3.611) 4.034 1.631 ( -1.950 -4.758 -4.819) 7.047 1.827 ( 0.622 7.652 4.856) 9.084 2.068 ( -2.036 2.718 -2.024) 3.954 2.223 ( -0.732 4.725 0.313) 4.792 2.354 ( 4.676 -3.772 -1.584) 6.213 2.464 ( -0.625 -2.181 -2.447) 3.337 2.703 ( 0.732 -6.569 -5.810) 8.801 2.897 ( 7.993 8.992 2.153) 12.222 2.991 ( 4.061 5.070 2.004) 6.798 3.096 ( 4.472 3.634 2.547) 6.300 3.241 ( -5.035 1.610 8.076) 9.652 3.440 ( -3.453 4.878 4.218) 7.315 3.634 ( 0.662 5.346 -3.058) 6.195 3.702 ( 0.552 -0.699 1.130) 1.439 3.945 ( 1.330 3.159 5.659) 6.617 4.013 ( 7.043 0.798 -3.958) 8.118 4.065 ( 6.054 1.856 -2.080) 6.665 4.167 ( -3.847 -1.848 -0.969) 4.376 4.262 ( 1.381 -2.634 -4.441) 5.345 4.454 ( 5.201 6.774 0.533) 8.557 4.645 ( 1.678 7.246 2.787) 7.943 4.763 ( 1.909 0.668 2.780) 3.438 4.880 ( -2.627 -3.032 -1.962) 4.466 5.024 ( -0.428 7.674 -5.094) 9.221 5.089 ( 0.521 5.524 -0.591) 5.580 5.333 ( -3.900 0.869 1.848) 4.402 5.406 ( -4.583 -3.238 -0.381) 5.624 5.539 ( -0.497 1.802 1.255) 2.252 5.750 ( -0.321 -4.587 1.374) 4.799 5.903 ( -4.516 2.849 1.002) 5.433 5.995 ( -7.589 0.809 0.803) 7.674 6.179 ( -4.341 4.196 -2.435) 6.510 6.312 ( -5.657 -1.779 -3.145) 6.713 6.801 ( 4.464 5.655 2.756) 7.714 6.968 ( 1.958 -1.639 -0.945) 2.723 7.273 ( -3.192 -1.055 0.707) 3.435 7.332 ( 4.786 -3.100 2.451) 6.207 7.681 ( -9.733 2.977 0.069) 10.178 7.747 ( -6.365 1.207 -2.365) 6.897 8.215 ( 6.264 -1.552 -0.753) 6.497 8.334 ( 7.442 -6.439 0.652) 9.862 8.970 ( -0.224 -1.920 -1.498) 2.446 9.090 ( -2.967 -3.658 -1.005) 4.816 9.317 ( -0.046 -1.699 -0.790) 1.874 9.451 ( -0.402 -4.802 1.080) 4.938 9.624 ( 1.803 2.104 1.090) 2.977 9.796 ( -0.527 -4.340 2.392) 4.983 10.105 ( 6.916 -0.717 1.477) 7.108 10.183 ( 3.003 -3.675 1.665) 5.029 10.451 ( -2.522 2.721 -0.876) 3.812 10.606 ( -0.127 -4.992 -2.289) 5.494 11.060 ( -11.171 -0.449 -0.672) 11.201 11.128 ( -9.493 -3.691 0.415) 10.194 11.539 ( -0.297 2.465 0.098) 2.485 11.649 ( -1.571 -2.097 -1.434) 2.987 12.573 ( 8.563 1.724 0.978) 8.790 12.628 ( 9.974 -0.601 0.399) 10.000 12.941 ( 0.334 0.945 -0.442) 1.096 13.021 ( 2.294 -2.966 -0.383) 3.769 13.698 ( 5.207 0.047 -1.908) 5.546 13.745 ( 2.469 -2.579 1.898) 4.043 13.906 ( 1.935 0.605 -0.307) 2.050 13.971 ( 1.788 -2.352 -1.510) 3.318 14.299 ( -3.650 1.768 2.929) 5.002 14.343 ( -3.391 0.173 3.183) 4.654 15.027 ( -7.188 3.340 -2.094) 8.198 15.142 ( -3.620 -1.898 -0.333) 4.100 15.568 ( 1.630 1.130 -0.298) 2.006 15.638 ( -1.236 -0.853 -0.161) 1.510 15.806 ( -0.339 1.192 1.250) 1.761 15.955 ( 2.704 -5.081 2.361) 6.221 16.141 ( 7.074 -0.546 -1.969) 7.364 16.201 ( 7.781 -2.008 -1.765) 8.227 17.020 ( -4.503 0.635 -0.998) 4.656 17.047 ( -4.472 -0.563 -0.991) 4.615 19.368 ( 3.300 2.480 0.214) 4.134 19.428 ( 1.969 0.134 -1.409) 2.425 20.930 ( -2.411 0.575 -0.208) 2.488 20.968 ( -2.764 -1.164 1.230) 3.241 21.631 ( 9.016 5.804 0.919) 10.762 21.811 ( 7.135 -2.826 0.618) 7.699 22.859 ( -5.181 4.718 0.364) 7.017 23.003 ( -6.651 -2.002 -0.555) 6.968 26.881 ( 20.583 0.828 2.401) 20.739 26.938 ( 20.704 -1.867 -4.065) 21.181 28.847 ( -25.506 1.595 0.246) 25.557 28.923 ( -25.070 -1.719 1.789) 25.193 30.966 ( 9.215 -0.242 -0.776) 9.251 31.039 ( 7.364 -3.341 0.510) 8.103 31.343 ( 7.507 1.251 0.110) 7.611 31.444 ( 7.522 -3.138 -0.690) 8.180 31.631 ( 3.168 3.172 2.454) 5.111 31.764 ( 3.797 -3.002 -1.943) 5.216 32.172 ( -10.948 2.206 0.853) 11.201 32.287 ( -8.739 -3.179 -0.423) 9.309 33.170 ( 10.422 -0.062 -0.428) 10.431 33.215 ( 9.814 -2.235 0.717) 10.091 33.862 ( -6.484 0.299 -0.069) 6.492 33.883 ( -7.522 -0.616 -0.260) 7.551 35.417 ( -0.862 6.900 1.600) 7.135 35.644 ( 2.460 -0.332 -2.464) 3.498 35.805 ( 2.203 5.536 4.334) 7.368 36.048 ( 0.925 0.382 0.233) 1.028 36.356 ( 0.197 3.988 -1.383) 4.226 36.454 ( 2.822 -2.025 -0.118) 3.476 37.851 ( -9.676 -1.469 -2.719) 10.157 38.003 ( -7.918 -7.476 1.940) 11.061 ======================= Grid point 167 (84/88) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.553 -3.393 -1.600) 3.792 1.593 ( -0.913 -4.438 -2.777) 5.314 1.900 ( 3.687 0.911 1.352) 4.031 2.031 ( -0.229 -4.939 1.244) 5.099 2.243 ( 0.746 8.842 -2.647) 9.260 2.396 ( -0.650 2.787 -2.562) 3.841 2.492 ( 3.693 -5.144 0.532) 6.355 2.686 ( -1.119 -7.410 -2.965) 8.060 2.946 ( -0.502 12.050 1.316) 12.132 3.076 ( -4.342 5.639 5.838) 9.205 3.165 ( 3.880 6.332 -2.829) 7.947 3.213 ( 8.275 7.414 3.286) 11.587 3.356 ( -3.099 3.887 3.076) 5.846 3.511 ( -9.710 8.211 -1.879) 12.854 3.772 ( 3.707 -0.477 -2.441) 4.464 3.870 ( -5.713 0.310 4.309) 7.163 4.055 ( 0.174 -3.078 -1.808) 3.574 4.090 ( 1.005 0.107 0.147) 1.021 4.262 ( 6.663 -0.007 -1.858) 6.917 4.349 ( 0.706 -4.614 -1.214) 4.823 4.581 ( 5.608 2.547 0.629) 6.191 4.683 ( 0.037 6.558 2.188) 6.914 4.848 ( 5.369 2.594 2.953) 6.654 4.892 ( 4.253 -3.540 1.150) 5.652 4.988 ( -1.966 7.137 -3.728) 8.289 5.086 ( -1.761 3.725 -1.431) 4.362 5.259 ( -1.052 -1.051 -0.231) 1.504 5.335 ( -3.875 -2.688 -0.378) 4.731 5.530 ( 0.077 4.141 -0.046) 4.142 5.731 ( -1.983 -2.398 1.699) 3.545 5.836 ( -2.015 3.878 -0.742) 4.433 5.893 ( -1.217 -0.328 0.698) 1.441 6.109 ( -2.730 5.575 -1.424) 6.369 6.201 ( -3.905 1.798 -0.557) 4.335 6.882 ( 3.333 3.385 0.587) 4.786 6.964 ( -1.866 0.102 0.015) 1.869 7.253 ( 0.918 1.508 0.224) 1.780 7.424 ( 1.546 -2.000 1.732) 3.065 7.526 ( -1.897 -1.564 1.161) 2.719 7.621 ( -6.253 -2.398 -3.174) 7.411 8.315 ( 3.237 -1.301 0.035) 3.489 8.445 ( 2.983 -5.850 0.357) 6.577 8.950 ( -0.906 -1.075 -1.284) 1.904 9.043 ( -1.495 -4.830 0.070) 5.057 9.328 ( 0.724 -0.011 -0.572) 0.923 9.447 ( -0.130 -5.163 0.443) 5.183 9.674 ( 3.253 0.774 0.330) 3.360 9.747 ( -3.801 -2.055 1.072) 4.452 10.230 ( 5.226 0.000 2.469) 5.779 10.288 ( 3.787 -1.857 1.014) 4.338 10.411 ( 1.650 0.629 0.056) 1.767 10.552 ( -6.195 -5.834 -3.346) 9.144 10.887 ( -4.589 0.247 -0.697) 4.648 10.978 ( -4.833 -4.135 0.585) 6.387 11.549 ( 0.659 2.554 0.062) 2.638 11.634 ( -0.163 -0.900 -0.575) 1.080 12.681 ( 2.456 2.596 0.406) 3.596 12.756 ( 2.943 -0.559 0.260) 3.007 12.961 ( 1.180 1.924 -0.261) 2.272 13.073 ( 2.185 -3.244 -0.070) 3.911 13.725 ( -0.407 -2.434 -0.189) 2.475 13.734 ( -1.545 -3.062 0.643) 3.489 13.995 ( 6.264 2.775 -3.049) 7.499 14.079 ( 2.866 -1.099 0.860) 3.187 14.212 ( -1.657 1.543 1.649) 2.802 14.276 ( -3.987 -0.951 2.045) 4.581 14.908 ( -3.856 3.767 -1.057) 5.494 15.088 ( -1.721 -3.074 -0.056) 3.523 15.599 ( 1.546 0.417 -0.217) 1.616 15.622 ( -0.493 0.262 0.107) 0.569 15.814 ( 1.850 -0.597 0.868) 2.129 15.904 ( -4.929 -5.695 -0.579) 7.554 16.283 ( 5.463 1.586 -0.271) 5.695 16.373 ( 5.941 -2.682 0.078) 6.519 16.936 ( -3.077 0.750 -0.642) 3.232 16.965 ( -2.922 -0.861 -0.452) 3.079 19.425 ( 2.168 1.748 0.532) 2.835 19.448 ( 0.003 0.841 -0.946) 1.266 20.900 ( -0.513 0.194 -0.338) 0.644 20.925 ( -1.437 -0.908 0.618) 1.808 21.789 ( 5.771 4.415 0.492) 7.283 21.901 ( 1.515 -0.981 0.229) 1.819 22.804 ( 0.085 2.730 0.586) 2.794 22.875 ( -5.478 -0.578 -0.694) 5.552 27.261 ( 14.616 0.404 3.449) 15.023 27.297 ( 12.515 -1.220 -4.557) 13.375 28.412 ( -15.344 2.105 -0.161) 15.489 28.501 ( -14.696 -1.771 1.390) 14.867 31.098 ( 3.929 -0.485 -0.087) 3.960 31.130 ( 1.845 -1.950 0.201) 2.692 31.488 ( 6.049 1.079 -0.074) 6.145 31.554 ( 2.265 -1.615 -0.506) 2.827 31.700 ( 3.568 0.717 1.305) 3.866 31.796 ( -1.127 -3.713 -1.175) 4.055 32.009 ( -4.409 3.439 0.458) 5.610 32.149 ( -4.395 -3.830 0.029) 5.830 33.348 ( 6.473 -0.387 -0.509) 6.505 33.377 ( 5.796 -1.682 0.817) 6.091 33.730 ( -5.900 -0.076 -0.274) 5.906 33.746 ( -4.738 -0.649 -0.036) 4.782 35.408 ( -0.247 6.719 0.566) 6.747 35.664 ( 0.228 -4.669 -0.783) 4.739 35.880 ( 3.776 9.679 2.871) 10.779 36.029 ( -2.042 4.805 -1.515) 5.437 36.351 ( -0.306 3.495 -0.284) 3.520 36.518 ( 2.416 -5.046 0.287) 5.602 37.698 ( -4.609 -0.885 -1.832) 5.038 37.886 ( -3.353 -8.166 1.227) 8.912 ======================= Grid point 171 (85/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -2.777 0.000) 2.777 1.562 ( -0.000 2.777 0.000) 2.777 2.146 ( -0.000 -0.294 0.000) 0.294 2.146 ( 0.000 0.294 0.000) 0.294 2.434 ( 0.000 -4.607 0.000) 4.607 2.434 ( -0.000 4.607 0.000) 4.607 2.502 ( 0.000 -0.659 0.000) 0.659 2.502 ( 0.000 0.659 0.000) 0.659 2.698 ( -0.000 -4.304 0.000) 4.304 2.698 ( 0.000 4.304 0.000) 4.304 2.971 ( -0.000 -7.512 0.000) 7.512 2.971 ( 0.000 7.512 0.000) 7.512 3.460 ( -0.000 -12.361 0.000) 12.361 3.460 ( -0.000 12.361 0.000) 12.361 3.786 ( -0.000 -2.152 0.000) 2.152 3.786 ( 0.000 2.152 0.000) 2.152 3.982 ( -0.000 -4.138 0.000) 4.138 3.982 ( 0.000 4.138 0.000) 4.138 4.413 ( -0.000 -1.093 0.000) 1.093 4.413 ( -0.000 1.093 0.000) 1.093 4.667 ( -0.000 -4.061 0.000) 4.061 4.667 ( -0.000 4.061 0.000) 4.061 4.857 ( 0.000 -10.617 0.000) 10.617 4.857 ( -0.000 10.617 0.000) 10.617 5.126 ( 0.000 -3.421 0.000) 3.421 5.126 ( 0.000 3.421 0.000) 3.421 5.434 ( 0.000 -2.739 0.000) 2.739 5.434 ( -0.000 2.739 0.000) 2.739 5.637 ( -0.000 -4.229 0.000) 4.229 5.637 ( -0.000 4.229 0.000) 4.229 6.131 ( -0.000 -5.349 0.000) 5.349 6.131 ( -0.000 5.349 0.000) 5.349 6.347 ( 0.000 -0.384 0.000) 0.384 6.347 ( -0.000 0.384 0.000) 0.384 6.764 ( 0.000 -2.546 0.000) 2.546 6.764 ( 0.000 2.546 0.000) 2.546 7.347 ( -0.000 -3.218 0.000) 3.218 7.347 ( -0.000 3.218 0.000) 3.218 7.859 ( 0.000 -3.919 0.000) 3.919 7.859 ( -0.000 3.919 0.000) 3.919 8.126 ( 0.000 -0.163 0.000) 0.163 8.126 ( 0.000 0.163 0.000) 0.163 8.984 ( 0.000 -6.522 0.000) 6.522 8.984 ( 0.000 6.522 0.000) 6.522 9.386 ( 0.000 -1.906 0.000) 1.906 9.386 ( -0.000 1.906 0.000) 1.906 9.648 ( -0.000 -3.825 0.000) 3.825 9.648 ( -0.000 3.825 0.000) 3.825 10.041 ( 0.000 -4.707 0.000) 4.707 10.041 ( -0.000 4.707 0.000) 4.707 10.533 ( -0.000 -2.108 0.000) 2.108 10.533 ( 0.000 2.108 0.000) 2.108 11.350 ( 0.000 -0.809 0.000) 0.809 11.350 ( -0.000 0.809 0.000) 0.809 11.656 ( 0.000 -2.892 0.000) 2.892 11.656 ( 0.000 2.892 0.000) 2.892 12.271 ( -0.000 -1.235 0.000) 1.235 12.271 ( -0.000 1.235 0.000) 1.235 12.965 ( -0.000 -0.691 0.000) 0.691 12.965 ( -0.000 0.691 0.000) 0.691 13.505 ( -0.000 -1.361 0.000) 1.361 13.505 ( 0.000 1.361 0.000) 1.361 14.000 ( -0.000 -0.653 0.000) 0.653 14.000 ( 0.000 0.653 0.000) 0.653 14.363 ( 0.000 -1.843 0.000) 1.843 14.363 ( 0.000 1.843 0.000) 1.843 15.360 ( -0.000 -0.761 0.000) 0.761 15.360 ( 0.000 0.761 0.000) 0.761 15.447 ( 0.000 -2.653 0.000) 2.653 15.447 ( -0.000 2.653 0.000) 2.653 15.778 ( 0.000 -2.074 0.000) 2.074 15.778 ( -0.000 2.074 0.000) 2.074 16.074 ( -0.000 -4.871 0.000) 4.871 16.074 ( 0.000 4.871 0.000) 4.871 17.137 ( 0.000 -0.665 0.000) 0.665 17.137 ( 0.000 0.665 0.000) 0.665 19.336 ( -0.000 -1.963 0.000) 1.963 19.336 ( 0.000 1.963 0.000) 1.963 21.037 ( 0.000 -1.154 0.000) 1.154 21.037 ( -0.000 1.154 0.000) 1.154 21.509 ( -0.000 -4.378 0.000) 4.378 21.509 ( 0.000 4.378 0.000) 4.378 23.106 ( 0.000 -3.261 0.000) 3.261 23.106 ( 0.000 3.261 0.000) 3.261 26.403 ( 0.000 -0.299 0.000) 0.299 26.403 ( 0.000 0.299 0.000) 0.299 29.596 ( 0.000 -0.499 0.000) 0.499 29.596 ( -0.000 0.499 0.000) 0.499 30.626 ( 0.000 -2.731 0.000) 2.731 30.626 ( -0.000 2.731 0.000) 2.731 31.213 ( 0.000 -1.966 0.000) 1.966 31.213 ( 0.000 1.966 0.000) 1.966 31.616 ( -0.000 -0.497 0.000) 0.497 31.616 ( -0.000 0.497 0.000) 0.497 32.583 ( -0.000 -0.141 0.000) 0.141 32.583 ( 0.000 0.141 0.000) 0.141 32.820 ( -0.000 -1.207 0.000) 1.207 32.820 ( 0.000 1.207 0.000) 1.207 34.032 ( -0.000 -1.035 0.000) 1.035 34.032 ( -0.000 1.035 0.000) 1.035 35.586 ( -0.000 -1.679 0.000) 1.679 35.586 ( 0.000 1.679 0.000) 1.679 35.827 ( 0.000 -2.124 0.000) 2.124 35.827 ( -0.000 2.124 0.000) 2.124 36.421 ( 0.000 -2.156 0.000) 2.156 36.421 ( 0.000 2.156 0.000) 2.156 38.120 ( 0.000 -2.829 0.000) 2.829 38.120 ( 0.000 2.829 0.000) 2.829 ======================= Grid point 175 (86/88) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.455 -3.887 -0.562) 3.954 1.560 ( -0.455 3.887 -0.562) 3.954 2.134 ( -3.815 -8.248 3.128) 9.611 2.134 ( -3.815 8.248 3.128) 9.611 2.252 ( -6.618 -6.318 -3.467) 9.785 2.252 ( -6.618 6.318 -3.467) 9.785 2.543 ( 1.248 -5.952 -4.086) 7.327 2.543 ( 1.248 5.952 -4.086) 7.327 2.824 ( 9.027 -3.615 1.931) 9.914 2.824 ( 9.027 3.615 1.931) 9.914 3.100 ( 9.518 -4.217 2.619) 10.735 3.100 ( 9.518 4.217 2.619) 10.735 3.556 ( 7.259 -8.506 8.490) 14.041 3.556 ( 7.259 8.506 8.490) 14.041 3.752 ( -1.929 -2.745 -3.853) 5.109 3.752 ( -1.929 2.745 -3.853) 5.109 3.998 ( 2.716 -3.335 -4.528) 6.245 3.998 ( 2.716 3.335 -4.528) 6.245 4.314 ( -8.349 -1.334 -1.862) 8.657 4.314 ( -8.349 1.334 -1.862) 8.657 4.657 ( -1.678 -6.757 1.793) 7.189 4.657 ( -1.678 6.757 1.793) 7.189 4.828 ( -1.913 -7.902 0.141) 8.132 4.828 ( -1.913 7.902 0.141) 8.132 5.147 ( 1.374 -3.397 -1.805) 4.084 5.147 ( 1.374 3.397 -1.805) 4.084 5.411 ( -2.384 -2.376 1.964) 3.897 5.411 ( -2.384 2.376 1.964) 3.897 5.623 ( -0.905 -6.432 0.559) 6.520 5.623 ( -0.905 6.432 0.559) 6.520 6.086 ( -4.557 -4.915 0.363) 6.712 6.086 ( -4.557 4.915 0.363) 6.712 6.321 ( -2.346 -2.886 -2.174) 4.308 6.321 ( -2.346 2.886 -2.174) 4.308 6.817 ( 4.609 -4.479 2.086) 6.757 6.817 ( 4.609 4.479 2.086) 6.757 7.310 ( -2.764 -2.280 -0.234) 3.590 7.310 ( -2.764 2.280 -0.234) 3.590 7.873 ( -1.995 -3.654 -0.246) 4.171 7.873 ( -1.995 3.654 -0.246) 4.171 8.117 ( 1.897 -3.083 -0.565) 3.664 8.117 ( 1.897 3.083 -0.565) 3.664 8.993 ( 0.662 -5.822 -0.682) 5.899 8.993 ( 0.662 5.822 -0.682) 5.899 9.371 ( -1.273 -3.640 -0.273) 3.865 9.371 ( -1.273 3.640 -0.273) 3.865 9.669 ( 1.738 -4.517 1.432) 5.047 9.669 ( 1.738 4.517 1.432) 5.047 10.057 ( 1.667 -4.051 0.866) 4.466 10.057 ( 1.667 4.051 0.866) 4.466 10.532 ( -0.165 -2.695 -0.688) 2.786 10.532 ( -0.165 2.695 -0.688) 2.786 11.262 ( -8.124 -1.226 0.007) 8.216 11.262 ( -8.124 1.226 0.007) 8.216 11.625 ( -2.273 -3.238 -0.538) 3.993 11.625 ( -2.273 3.238 -0.538) 3.993 12.393 ( 10.531 -1.064 0.427) 10.593 12.393 ( 10.531 1.064 0.427) 10.593 12.959 ( -0.172 -1.053 -0.314) 1.112 12.959 ( -0.172 1.053 -0.314) 1.112 13.584 ( 6.986 -1.761 -0.954) 7.267 13.584 ( 6.986 1.761 -0.954) 7.267 13.960 ( -3.346 -1.656 0.495) 3.766 13.960 ( -3.346 1.656 0.495) 3.766 14.367 ( -0.253 -1.535 2.423) 2.879 14.367 ( -0.253 1.535 2.423) 2.879 15.224 ( -7.552 -1.429 -1.280) 7.792 15.224 ( -7.552 1.429 -1.280) 7.792 15.575 ( 5.010 -3.117 -0.218) 5.905 15.575 ( 5.010 3.117 -0.219) 5.905 15.797 ( 3.040 -1.208 2.145) 3.912 15.797 ( 3.040 1.208 2.145) 3.912 16.075 ( 0.862 -4.326 -2.390) 5.017 16.075 ( 0.862 4.326 -2.390) 5.017 17.110 ( -2.745 -0.724 -0.739) 2.934 17.110 ( -2.745 0.724 -0.739) 2.934 19.361 ( 2.308 -2.048 -0.702) 3.164 19.361 ( 2.308 2.048 -0.702) 3.164 21.003 ( -2.866 -1.135 0.756) 3.173 21.003 ( -2.866 1.135 0.756) 3.173 21.581 ( 6.699 -4.758 0.538) 8.235 21.581 ( 6.699 4.758 0.538) 8.235 23.057 ( -4.661 -3.647 0.004) 5.919 23.057 ( -4.661 3.647 0.004) 5.919 26.548 ( 14.029 -1.076 -0.315) 14.073 26.548 ( 14.029 1.076 -0.315) 14.073 29.356 ( -21.021 -1.634 0.914) 21.104 29.356 ( -21.021 1.634 0.914) 21.104 30.771 ( 11.544 -2.590 -0.501) 11.842 30.771 ( 11.544 2.590 -0.501) 11.842 31.261 ( 4.685 -2.258 0.117) 5.202 31.261 ( 4.685 2.258 0.117) 5.202 31.642 ( 2.417 -2.344 0.048) 3.367 31.642 ( 2.417 2.344 0.048) 3.367 32.432 ( -10.767 -1.824 0.011) 10.921 32.432 ( -10.767 1.824 0.011) 10.921 32.970 ( 10.702 -1.272 0.227) 10.780 32.970 ( 10.702 1.272 0.227) 10.780 33.988 ( -4.399 -0.926 -0.126) 4.497 33.988 ( -4.399 0.926 -0.126) 4.497 35.575 ( -0.958 -5.073 0.911) 5.242 35.575 ( -0.958 5.073 0.911) 5.242 35.871 ( 4.000 -6.712 0.963) 7.872 35.871 ( 4.000 6.712 0.963) 7.872 36.421 ( 0.021 -2.008 -1.586) 2.559 36.421 ( 0.021 2.008 -1.586) 2.559 38.045 ( -7.084 -3.279 0.101) 7.807 38.045 ( -7.084 3.279 0.101) 7.807 ======================= Grid point 177 (87/88) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -1.425 -3.588 -1.685) 4.212 1.539 ( -1.425 3.588 -1.685) 4.212 1.994 ( -5.779 -8.224 0.251) 10.054 1.994 ( -5.779 8.224 0.251) 10.054 2.287 ( 5.709 -3.133 -1.201) 6.622 2.287 ( 5.709 3.133 -1.201) 6.622 2.541 ( -1.038 -7.709 -4.382) 8.927 2.541 ( -1.038 7.709 -4.382) 8.927 3.014 ( 9.410 -2.203 0.657) 9.687 3.014 ( 9.410 2.203 0.657) 9.687 3.208 ( 0.159 -4.691 4.406) 6.437 3.208 ( 0.159 4.691 4.406) 6.437 3.597 ( -1.742 -8.322 4.531) 9.635 3.597 ( -1.742 8.322 4.531) 9.635 3.827 ( 6.071 -10.791 2.484) 12.628 3.827 ( 6.071 10.791 2.484) 12.628 4.074 ( -1.014 -2.846 -3.595) 4.696 4.074 ( -1.014 2.846 -3.595) 4.696 4.166 ( 0.367 -3.709 -5.541) 6.678 4.166 ( 0.367 3.709 -5.541) 6.678 4.640 ( 1.387 -8.202 3.032) 8.853 4.640 ( 1.387 8.202 3.032) 8.853 4.805 ( -0.158 -5.367 0.753) 5.422 4.805 ( -0.158 5.367 0.753) 5.422 5.149 ( -1.163 -3.096 -3.069) 4.511 5.149 ( -1.163 3.096 -3.069) 4.511 5.347 ( -4.027 -1.664 3.514) 5.598 5.347 ( -4.027 1.664 3.514) 5.598 5.623 ( 0.911 -6.417 -0.630) 6.511 5.623 ( 0.911 6.417 -0.630) 6.511 5.973 ( -5.985 -2.976 0.442) 6.699 5.973 ( -5.985 2.976 0.442) 6.699 6.262 ( -3.427 -3.474 -2.543) 5.503 6.262 ( -3.427 3.474 -2.543) 5.503 6.908 ( 3.500 -4.458 2.260) 6.101 6.908 ( 3.500 4.458 2.260) 6.101 7.278 ( 0.277 -1.708 0.502) 1.802 7.278 ( 0.277 1.708 0.502) 1.802 7.737 ( -9.680 -2.203 -1.762) 10.083 7.737 ( -9.680 2.203 -1.762) 10.083 8.228 ( 7.220 -3.423 0.076) 7.991 8.228 ( 7.220 3.423 0.076) 7.991 8.992 ( -1.000 -4.107 -1.210) 4.397 8.992 ( -1.000 4.107 -1.210) 4.397 9.352 ( -0.233 -4.182 0.117) 4.191 9.352 ( -0.233 4.182 0.117) 4.191 9.700 ( 0.914 -4.791 1.716) 5.170 9.700 ( 0.914 4.791 1.716) 5.170 10.120 ( 5.009 -2.202 1.763) 5.748 10.120 ( 5.009 2.202 1.763) 5.748 10.517 ( -1.613 -3.853 -1.747) 4.528 10.517 ( -1.613 3.854 -1.747) 4.528 11.072 ( -10.162 -1.723 0.139) 10.308 11.072 ( -10.162 1.723 0.139) 10.308 11.596 ( -0.388 -2.978 -0.757) 3.097 11.596 ( -0.388 2.978 -0.757) 3.097 12.606 ( 9.565 -1.468 0.725) 9.705 12.606 ( 9.565 1.468 0.725) 9.705 12.970 ( 1.472 -2.019 -0.457) 2.540 12.970 ( 1.472 2.019 -0.457) 2.540 13.707 ( 2.995 -1.122 -0.074) 3.199 13.707 ( 2.995 1.122 -0.074) 3.199 13.929 ( 2.529 -1.694 -1.212) 3.276 13.929 ( 2.529 1.694 -1.212) 3.276 14.332 ( -3.629 -1.275 3.737) 5.362 14.332 ( -3.629 1.275 3.737) 5.362 15.094 ( -5.703 -3.006 -1.253) 6.568 15.094 ( -5.703 3.006 -1.253) 6.568 15.603 ( -0.085 -2.156 -0.841) 2.316 15.603 ( -0.085 2.156 -0.841) 2.316 15.856 ( 0.255 -3.947 2.019) 4.441 15.856 ( 0.255 3.947 2.019) 4.441 16.161 ( 8.386 -1.899 -1.869) 8.800 16.161 ( 8.386 1.899 -1.869) 8.800 17.034 ( -4.591 -0.712 -1.009) 4.754 17.034 ( -4.591 0.712 -1.009) 4.754 19.412 ( 2.612 -1.662 -0.716) 3.177 19.412 ( 2.612 1.662 -0.716) 3.177 20.946 ( -2.653 -0.989 0.639) 2.902 20.946 ( -2.653 0.989 0.639) 2.902 21.737 ( 8.131 -4.580 0.797) 9.367 21.737 ( 8.131 4.580 0.797) 9.367 22.946 ( -5.960 -3.676 -0.063) 7.002 22.946 ( -5.960 3.676 -0.063) 7.002 26.904 ( 20.660 -1.473 -0.534) 20.719 26.904 ( 20.660 1.473 -0.534) 20.719 28.885 ( -25.036 -2.026 1.006) 25.138 28.885 ( -25.036 2.026 1.006) 25.138 30.982 ( 8.835 -1.973 -0.100) 9.053 30.982 ( 8.835 1.973 -0.100) 9.053 31.384 ( 7.338 -2.683 -0.307) 7.819 31.384 ( 7.338 2.683 -0.307) 7.819 31.698 ( 2.863 -3.442 0.165) 4.481 31.698 ( 2.863 3.442 0.165) 4.481 32.225 ( -9.702 -2.964 0.233) 10.147 32.225 ( -9.702 2.964 0.233) 10.147 33.180 ( 10.199 -1.142 0.271) 10.266 33.180 ( 10.199 1.142 0.271) 10.266 33.870 ( -7.144 -0.553 -0.193) 7.168 33.870 ( -7.144 0.553 -0.193) 7.168 35.557 ( -0.801 -6.492 0.833) 6.594 35.557 ( -0.801 6.492 0.833) 6.594 35.964 ( 4.831 -7.770 2.039) 9.373 35.964 ( 4.831 7.770 2.039) 9.373 36.421 ( 0.090 -2.276 -2.628) 3.478 36.421 ( 0.090 2.276 -2.628) 3.478 37.877 ( -8.839 -4.233 0.151) 9.802 37.877 ( -8.839 4.233 0.151) 9.802 ======================= Grid point 179 (88/88) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.424 -2.043 -1.014) 2.320 1.518 ( -0.424 2.043 -1.014) 2.320 1.939 ( -0.634 -3.438 0.402) 3.519 1.939 ( -0.634 3.438 0.402) 3.519 2.372 ( 1.545 -4.339 -2.059) 5.045 2.372 ( 1.545 4.339 -2.059) 5.045 2.530 ( 0.815 -7.121 -2.017) 7.446 2.530 ( 0.815 7.121 -2.017) 7.446 3.102 ( -1.121 -3.030 5.348) 6.248 3.102 ( -1.121 3.031 5.348) 6.248 3.254 ( 6.439 -2.970 -4.058) 8.171 3.254 ( 6.439 2.970 -4.058) 8.171 3.532 ( -4.837 -9.692 3.496) 11.382 3.532 ( -4.837 9.692 3.496) 11.382 3.828 ( -4.023 -4.998 2.530) 6.896 3.828 ( -4.023 4.998 2.530) 6.896 4.045 ( 1.948 -4.466 -2.326) 5.400 4.045 ( 1.948 4.466 -2.326) 5.400 4.268 ( 4.150 -3.558 -3.645) 6.570 4.268 ( 4.150 3.558 -3.645) 6.570 4.667 ( -0.585 -5.679 2.688) 6.310 4.667 ( -0.585 5.679 2.688) 6.310 4.871 ( 5.811 -0.530 1.136) 5.945 4.871 ( 5.811 0.530 1.136) 5.945 5.115 ( -1.445 -3.165 -1.818) 3.925 5.115 ( -1.445 3.165 -1.818) 3.925 5.270 ( -3.230 -2.421 1.207) 4.213 5.270 ( -3.230 2.421 1.207) 4.213 5.639 ( 0.316 -5.945 -0.023) 5.953 5.639 ( 0.316 5.945 -0.023) 5.953 5.891 ( -1.859 -1.222 -0.371) 2.255 5.891 ( -1.859 1.222 -0.371) 2.255 6.196 ( -2.400 -2.487 -0.879) 3.566 6.196 ( -2.400 2.487 -0.879) 3.566 6.941 ( 0.315 -2.269 0.581) 2.363 6.941 ( 0.315 2.269 0.581) 2.363 7.327 ( 3.666 -5.613 1.557) 6.883 7.327 ( 3.666 5.613 1.557) 6.883 7.557 ( -7.022 -3.465 -1.845) 8.045 7.557 ( -7.022 3.465 -1.845) 8.045 8.340 ( 3.347 -3.871 0.096) 5.118 8.340 ( 3.347 3.871 0.096) 5.118 8.962 ( -1.319 -2.475 -0.682) 2.886 8.962 ( -1.319 2.475 -0.682) 2.886 9.359 ( 0.482 -3.082 0.190) 3.125 9.359 ( 0.482 3.082 0.190) 3.125 9.705 ( -0.139 -2.092 0.730) 2.221 9.705 ( -0.139 2.092 0.731) 2.221 10.247 ( 6.615 -1.731 2.163) 7.172 10.247 ( 6.615 1.731 2.163) 7.172 10.456 ( -4.254 -3.649 -2.256) 6.042 10.456 ( -4.254 3.649 -2.256) 6.042 10.911 ( -4.850 -2.294 0.081) 5.366 10.911 ( -4.850 2.294 0.081) 5.366 11.600 ( 0.424 -2.327 -0.273) 2.381 11.600 ( 0.424 2.327 -0.273) 2.381 12.730 ( 2.837 -2.028 0.360) 3.506 12.730 ( 2.837 2.028 0.360) 3.506 13.010 ( 1.833 -2.900 -0.176) 3.435 13.010 ( 1.833 2.900 -0.176) 3.435 13.700 ( -1.358 -0.168 0.307) 1.403 13.700 ( -1.358 0.168 0.307) 1.403 14.045 ( 6.131 -2.184 -2.195) 6.869 14.045 ( 6.131 2.184 -2.195) 6.869 14.247 ( -4.199 -1.811 2.966) 5.451 14.247 ( -4.199 1.811 2.966) 5.451 15.003 ( -2.910 -5.070 -0.592) 5.875 15.003 ( -2.910 5.070 -0.592) 5.875 15.613 ( 0.877 -0.903 -0.242) 1.281 15.613 ( 0.877 0.903 -0.242) 1.281 15.826 ( -1.848 -2.122 0.279) 2.828 15.826 ( -1.848 2.122 0.279) 2.828 16.322 ( 5.605 -2.311 -0.191) 6.066 16.322 ( 5.605 2.311 -0.191) 6.066 16.950 ( -2.985 -0.687 -0.542) 3.111 16.950 ( -2.985 0.687 -0.542) 3.111 19.450 ( 1.091 -0.650 -0.265) 1.297 19.450 ( 1.091 0.650 -0.265) 1.297 20.909 ( -0.994 -0.653 0.204) 1.207 20.909 ( -0.994 0.653 0.204) 1.207 21.864 ( 3.805 -2.824 0.383) 4.754 21.864 ( 3.805 2.824 0.383) 4.754 22.852 ( -2.887 -1.832 -0.056) 3.420 22.852 ( -2.887 1.832 -0.056) 3.420 27.275 ( 13.623 -0.921 -0.407) 13.660 27.275 ( 13.623 0.921 -0.407) 13.660 28.459 ( -14.980 -2.364 0.572) 15.176 28.459 ( -14.980 2.364 0.572) 15.176 31.100 ( 3.004 -0.829 0.093) 3.118 31.100 ( 3.004 0.829 0.093) 3.118 31.518 ( 5.021 -1.808 -0.376) 5.350 31.518 ( 5.021 1.808 -0.376) 5.350 31.731 ( 0.170 -2.519 0.099) 2.526 31.731 ( 0.170 2.519 0.099) 2.526 32.078 ( -4.329 -3.422 0.246) 5.524 32.078 ( -4.329 3.422 0.246) 5.524 33.351 ( 6.140 -0.775 0.192) 6.192 33.351 ( 6.140 0.775 0.192) 6.192 33.734 ( -5.365 -0.458 -0.157) 5.387 33.734 ( -5.365 0.458 -0.157) 5.387 35.546 ( -0.287 -6.742 0.304) 6.755 35.546 ( -0.287 6.742 0.304) 6.755 36.039 ( 2.193 -4.578 1.280) 5.235 36.039 ( 2.193 4.578 1.280) 5.235 36.422 ( 0.094 -4.160 -1.527) 4.433 36.422 ( 0.094 4.160 -1.527) 4.433 37.742 ( -4.001 -5.300 0.090) 6.641 37.742 ( -4.001 5.300 0.090) 6.641 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27216 10.0 27.409 18.394 24.596 0.000 -1.877 0.000 3/27216 20.0 4.938 3.943 4.894 0.000 -0.265 0.000 3/27216 30.0 2.257 1.874 2.260 0.000 -0.122 0.000 3/27216 40.0 1.438 1.205 1.424 0.000 -0.077 0.000 3/27216 50.0 1.069 0.897 1.040 0.000 -0.056 0.000 3/27216 60.0 0.866 0.724 0.826 0.000 -0.045 0.000 3/27216 70.0 0.740 0.615 0.689 0.000 -0.038 0.000 3/27216 80.0 0.656 0.539 0.595 0.000 -0.032 0.000 3/27216 90.0 0.597 0.484 0.526 0.000 -0.028 0.000 3/27216 100.0 0.553 0.441 0.474 0.000 -0.025 0.000 3/27216 110.0 0.521 0.407 0.432 0.000 -0.022 0.000 3/27216 120.0 0.495 0.379 0.398 0.000 -0.020 0.000 3/27216 130.0 0.475 0.356 0.370 0.000 -0.018 0.000 3/27216 140.0 0.458 0.336 0.347 0.000 -0.016 0.000 3/27216 150.0 0.445 0.319 0.326 0.000 -0.014 0.000 3/27216 160.0 0.434 0.304 0.309 0.000 -0.013 0.000 3/27216 170.0 0.424 0.291 0.294 0.000 -0.011 0.000 3/27216 180.0 0.417 0.279 0.280 0.000 -0.010 0.000 3/27216 190.0 0.410 0.268 0.268 0.000 -0.009 0.000 3/27216 200.0 0.405 0.258 0.257 0.000 -0.008 0.000 3/27216 210.0 0.400 0.249 0.248 0.000 -0.007 0.000 3/27216 220.0 0.396 0.241 0.239 0.000 -0.007 0.000 3/27216 230.0 0.393 0.234 0.231 0.000 -0.006 0.000 3/27216 240.0 0.390 0.227 0.223 0.000 -0.005 0.000 3/27216 250.0 0.388 0.221 0.217 0.000 -0.005 0.000 3/27216 260.0 0.385 0.215 0.210 0.000 -0.005 0.000 3/27216 270.0 0.383 0.210 0.204 0.000 -0.004 0.000 3/27216 280.0 0.382 0.205 0.199 0.000 -0.004 0.000 3/27216 290.0 0.380 0.200 0.194 0.000 -0.003 0.000 3/27216 300.0 0.378 0.196 0.189 0.000 -0.003 0.000 3/27216 310.0 0.377 0.192 0.185 0.000 -0.003 0.000 3/27216 320.0 0.375 0.188 0.180 0.000 -0.003 0.000 3/27216 330.0 0.373 0.184 0.176 0.000 -0.003 0.000 3/27216 340.0 0.372 0.181 0.172 0.000 -0.002 0.000 3/27216 350.0 0.370 0.178 0.169 0.000 -0.002 0.000 3/27216 360.0 0.368 0.175 0.165 0.000 -0.002 0.000 3/27216 370.0 0.366 0.172 0.162 0.000 -0.002 0.000 3/27216 380.0 0.364 0.169 0.159 0.000 -0.002 0.000 3/27216 390.0 0.362 0.166 0.156 0.000 -0.002 0.000 3/27216 400.0 0.360 0.163 0.153 0.000 -0.002 0.000 3/27216 410.0 0.358 0.161 0.151 0.000 -0.002 0.000 3/27216 420.0 0.356 0.158 0.148 0.000 -0.001 0.000 3/27216 430.0 0.353 0.156 0.145 0.000 -0.001 0.000 3/27216 440.0 0.351 0.154 0.143 0.000 -0.001 0.000 3/27216 450.0 0.348 0.152 0.141 0.000 -0.001 0.000 3/27216 460.0 0.346 0.149 0.138 0.000 -0.001 0.000 3/27216 470.0 0.343 0.147 0.136 0.000 -0.001 0.000 3/27216 480.0 0.341 0.145 0.134 0.000 -0.001 0.000 3/27216 490.0 0.338 0.143 0.132 0.000 -0.001 0.000 3/27216 500.0 0.336 0.142 0.130 0.000 -0.001 0.000 3/27216 510.0 0.333 0.140 0.128 0.000 -0.001 0.000 3/27216 520.0 0.330 0.138 0.126 0.000 -0.001 0.000 3/27216 530.0 0.328 0.136 0.124 0.000 -0.001 0.000 3/27216 540.0 0.325 0.134 0.123 0.000 -0.001 0.000 3/27216 550.0 0.322 0.133 0.121 0.000 -0.001 0.000 3/27216 560.0 0.320 0.131 0.119 0.000 -0.001 0.000 3/27216 570.0 0.317 0.129 0.117 0.000 -0.001 0.000 3/27216 580.0 0.314 0.128 0.116 0.000 -0.001 0.000 3/27216 590.0 0.312 0.126 0.114 0.000 -0.001 0.000 3/27216 600.0 0.309 0.125 0.113 0.000 -0.001 0.000 3/27216 610.0 0.306 0.123 0.111 0.000 -0.001 0.000 3/27216 620.0 0.304 0.122 0.110 0.000 -0.001 0.000 3/27216 630.0 0.301 0.121 0.109 0.000 -0.001 0.000 3/27216 640.0 0.299 0.119 0.107 0.000 -0.001 0.000 3/27216 650.0 0.296 0.118 0.106 0.000 -0.001 0.000 3/27216 660.0 0.293 0.117 0.105 0.000 -0.001 0.000 3/27216 670.0 0.291 0.115 0.103 0.000 -0.001 0.000 3/27216 680.0 0.288 0.114 0.102 0.000 -0.001 0.000 3/27216 690.0 0.286 0.113 0.101 0.000 -0.001 0.000 3/27216 700.0 0.283 0.112 0.100 0.000 -0.000 0.000 3/27216 710.0 0.281 0.110 0.098 0.000 -0.000 0.000 3/27216 720.0 0.278 0.109 0.097 0.000 -0.000 0.000 3/27216 730.0 0.276 0.108 0.096 0.000 -0.000 0.000 3/27216 740.0 0.273 0.107 0.095 0.000 -0.000 0.000 3/27216 750.0 0.271 0.106 0.094 0.000 -0.000 0.000 3/27216 760.0 0.269 0.105 0.093 0.000 -0.000 0.000 3/27216 770.0 0.266 0.104 0.092 0.000 -0.000 0.000 3/27216 780.0 0.264 0.103 0.091 0.000 -0.000 0.000 3/27216 790.0 0.262 0.102 0.090 0.000 -0.000 0.000 3/27216 800.0 0.260 0.101 0.089 0.000 -0.000 0.000 3/27216 810.0 0.257 0.100 0.088 0.000 -0.000 0.000 3/27216 820.0 0.255 0.099 0.087 0.000 -0.000 0.000 3/27216 830.0 0.253 0.098 0.086 0.000 -0.000 0.000 3/27216 840.0 0.251 0.097 0.085 0.000 -0.000 0.000 3/27216 850.0 0.249 0.096 0.085 0.000 -0.000 0.000 3/27216 860.0 0.247 0.095 0.084 0.000 -0.000 0.000 3/27216 870.0 0.245 0.094 0.083 0.000 -0.000 0.000 3/27216 880.0 0.242 0.093 0.082 0.000 -0.000 0.000 3/27216 890.0 0.240 0.092 0.081 0.000 -0.000 0.000 3/27216 900.0 0.238 0.091 0.080 0.000 -0.000 0.000 3/27216 910.0 0.237 0.091 0.080 0.000 -0.000 0.000 3/27216 920.0 0.235 0.090 0.079 0.000 -0.000 0.000 3/27216 930.0 0.233 0.089 0.078 0.000 -0.000 0.000 3/27216 940.0 0.231 0.088 0.077 0.000 -0.000 0.000 3/27216 950.0 0.229 0.087 0.077 0.000 -0.000 0.000 3/27216 960.0 0.227 0.087 0.076 0.000 -0.000 0.000 3/27216 970.0 0.225 0.086 0.075 0.000 -0.000 0.000 3/27216 980.0 0.223 0.085 0.075 0.000 -0.000 0.000 3/27216 990.0 0.222 0.084 0.074 0.000 -0.000 0.000 3/27216 1000.0 0.220 0.084 0.073 0.000 -0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m766.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:48:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|