----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:17:18]------------------------- 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: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.911690460557144 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.201931904077812 0.000000000000000 6.797621922274272 Atomic positions (fractional): *1 Te 0.26031400181579 0.91754172791962 0.65812219867782 127.600 2 Te 0.73968599818421 0.41754172791962 0.84187780132218 127.600 3 Te 0.73968599818421 0.08245827208039 0.34187780132218 127.600 4 Te 0.26031400181579 0.58245827208038 0.15812219867782 127.600 *5 Na 0.24704467281061 0.58580300430211 0.63583442662189 22.990 6 Na 0.75295532718939 0.08580300430211 0.86416557337811 22.990 7 Na 0.75295532718939 0.41419699569789 0.36416557337811 22.990 8 Na 0.24704467281061 0.91419699569789 0.13583442662189 22.990 *9 Na 0.74500112718451 0.75229468037837 0.89562254064590 22.990 10 Na 0.25499887281549 0.25229468037837 0.60437745935410 22.990 11 Na 0.25499887281549 0.24770531962163 0.10437745935410 22.990 12 Na 0.74500112718451 0.74770531962163 0.39562254064590 22.990 *13 O 0.23314356566304 0.78140095462285 0.84889328051974 15.999 14 O 0.76685643433696 0.28140095462286 0.65110671948026 15.999 15 O 0.76685643433696 0.21859904537715 0.15110671948026 15.999 16 O 0.23314356566304 0.71859904537715 0.34889328051974 15.999 *17 O 0.75378246124916 0.56154424707359 0.66672163255250 15.999 18 O 0.24621753875084 0.06154424707359 0.83327836744750 15.999 19 O 0.24621753875084 0.43845575292641 0.33327836744750 15.999 20 O 0.75378246124916 0.93845575292641 0.16672163255250 15.999 *21 O 0.64629719427221 0.90716784320274 0.64062579512926 15.999 22 O 0.35370280572779 0.40716784320274 0.85937420487074 15.999 23 O 0.35370280572779 0.09283215679726 0.35937420487074 15.999 24 O 0.64629719427221 0.59283215679726 0.14062579512926 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.911690460557144 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.201931904077812 0.000000000000000 6.797621922274272 Atomic positions (fractional): *1 Te 0.26031400181579 0.91754172791962 0.65812219867782 127.600 > 1 2 Te 0.73968599818421 0.41754172791962 0.84187780132218 127.600 > 2 3 Te 0.73968599818421 0.08245827208039 0.34187780132218 127.600 > 3 4 Te 0.26031400181579 0.58245827208038 0.15812219867782 127.600 > 4 *5 Na 0.24704467281061 0.58580300430211 0.63583442662189 22.990 > 5 6 Na 0.75295532718939 0.08580300430211 0.86416557337811 22.990 > 6 7 Na 0.75295532718939 0.41419699569789 0.36416557337811 22.990 > 7 8 Na 0.24704467281061 0.91419699569789 0.13583442662189 22.990 > 8 *9 Na 0.74500112718451 0.75229468037837 0.89562254064590 22.990 > 9 10 Na 0.25499887281549 0.25229468037837 0.60437745935410 22.990 > 10 11 Na 0.25499887281549 0.24770531962163 0.10437745935410 22.990 > 11 12 Na 0.74500112718451 0.74770531962163 0.39562254064590 22.990 > 12 *13 O 0.23314356566304 0.78140095462285 0.84889328051974 15.999 > 13 14 O 0.76685643433696 0.28140095462286 0.65110671948026 15.999 > 14 15 O 0.76685643433696 0.21859904537715 0.15110671948026 15.999 > 15 16 O 0.23314356566304 0.71859904537715 0.34889328051974 15.999 > 16 *17 O 0.75378246124916 0.56154424707359 0.66672163255250 15.999 > 17 18 O 0.24621753875084 0.06154424707359 0.83327836744750 15.999 > 18 19 O 0.24621753875084 0.43845575292641 0.33327836744750 15.999 > 19 20 O 0.75378246124916 0.93845575292641 0.16672163255250 15.999 > 20 *21 O 0.64629719427221 0.90716784320274 0.64062579512926 15.999 > 21 22 O 0.35370280572779 0.40716784320274 0.85937420487074 15.999 > 22 23 O 0.35370280572779 0.09283215679726 0.35937420487074 15.999 > 23 24 O 0.64629719427221 0.59283215679726 0.14062579512926 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.735071381671432 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.403863808155624 0.000000000000000 13.595243844548545 Atomic positions (fractional): *1 Te 0.08677133393860 0.91754172791962 0.32906109933891 127.600 > 1 2 Te 0.42010466727193 0.91754172791962 0.32906109933891 127.600 > 1 3 Te 0.75343800060526 0.91754172791962 0.32906109933891 127.600 > 1 4 Te 0.08677133393860 0.91754172791962 0.82906109933891 127.600 > 1 5 Te 0.42010466727193 0.91754172791962 0.82906109933891 127.600 > 1 6 Te 0.75343800060526 0.91754172791962 0.82906109933891 127.600 > 1 7 Te 0.24656199939474 0.41754172791962 0.42093890066109 127.600 > 2 8 Te 0.57989533272807 0.41754172791962 0.42093890066109 127.600 > 2 9 Te 0.91322866606140 0.41754172791962 0.42093890066109 127.600 > 2 10 Te 0.24656199939474 0.41754172791962 0.92093890066109 127.600 > 2 11 Te 0.57989533272807 0.41754172791962 0.92093890066109 127.600 > 2 12 Te 0.91322866606140 0.41754172791962 0.92093890066109 127.600 > 2 13 Te 0.24656199939474 0.08245827208039 0.17093890066109 127.600 > 3 14 Te 0.57989533272807 0.08245827208039 0.17093890066109 127.600 > 3 15 Te 0.91322866606140 0.08245827208039 0.17093890066109 127.600 > 3 16 Te 0.24656199939474 0.08245827208039 0.67093890066109 127.600 > 3 17 Te 0.57989533272807 0.08245827208039 0.67093890066109 127.600 > 3 18 Te 0.91322866606140 0.08245827208039 0.67093890066109 127.600 > 3 19 Te 0.08677133393860 0.58245827208038 0.07906109933891 127.600 > 4 20 Te 0.42010466727193 0.58245827208038 0.07906109933891 127.600 > 4 21 Te 0.75343800060526 0.58245827208038 0.07906109933891 127.600 > 4 22 Te 0.08677133393860 0.58245827208038 0.57906109933891 127.600 > 4 23 Te 0.42010466727193 0.58245827208038 0.57906109933891 127.600 > 4 24 Te 0.75343800060526 0.58245827208038 0.57906109933891 127.600 > 4 *25 Na 0.08234822427020 0.58580300430211 0.31791721331095 22.990 > 5 26 Na 0.41568155760354 0.58580300430211 0.31791721331095 22.990 > 5 27 Na 0.74901489093687 0.58580300430211 0.31791721331095 22.990 > 5 28 Na 0.08234822427020 0.58580300430211 0.81791721331095 22.990 > 5 29 Na 0.41568155760354 0.58580300430211 0.81791721331095 22.990 > 5 30 Na 0.74901489093687 0.58580300430211 0.81791721331095 22.990 > 5 31 Na 0.25098510906313 0.08580300430211 0.43208278668905 22.990 > 6 32 Na 0.58431844239646 0.08580300430211 0.43208278668905 22.990 > 6 33 Na 0.91765177572980 0.08580300430211 0.43208278668905 22.990 > 6 34 Na 0.25098510906313 0.08580300430211 0.93208278668905 22.990 > 6 35 Na 0.58431844239646 0.08580300430211 0.93208278668905 22.990 > 6 36 Na 0.91765177572980 0.08580300430211 0.93208278668905 22.990 > 6 37 Na 0.25098510906313 0.41419699569789 0.18208278668905 22.990 > 7 38 Na 0.58431844239646 0.41419699569789 0.18208278668905 22.990 > 7 39 Na 0.91765177572980 0.41419699569789 0.18208278668905 22.990 > 7 40 Na 0.25098510906313 0.41419699569789 0.68208278668905 22.990 > 7 41 Na 0.58431844239646 0.41419699569789 0.68208278668905 22.990 > 7 42 Na 0.91765177572980 0.41419699569789 0.68208278668905 22.990 > 7 43 Na 0.08234822427020 0.91419699569789 0.06791721331095 22.990 > 8 44 Na 0.41568155760354 0.91419699569789 0.06791721331095 22.990 > 8 45 Na 0.74901489093687 0.91419699569789 0.06791721331095 22.990 > 8 46 Na 0.08234822427020 0.91419699569789 0.56791721331095 22.990 > 8 47 Na 0.41568155760354 0.91419699569789 0.56791721331095 22.990 > 8 48 Na 0.74901489093687 0.91419699569789 0.56791721331095 22.990 > 8 *49 Na 0.24833370906150 0.75229468037837 0.44781127032295 22.990 > 9 50 Na 0.58166704239484 0.75229468037837 0.44781127032295 22.990 > 9 51 Na 0.91500037572817 0.75229468037837 0.44781127032295 22.990 > 9 52 Na 0.24833370906150 0.75229468037837 0.94781127032295 22.990 > 9 53 Na 0.58166704239484 0.75229468037837 0.94781127032295 22.990 > 9 54 Na 0.91500037572817 0.75229468037837 0.94781127032295 22.990 > 9 55 Na 0.08499962427183 0.25229468037837 0.30218872967705 22.990 > 10 56 Na 0.41833295760516 0.25229468037837 0.30218872967705 22.990 > 10 57 Na 0.75166629093850 0.25229468037837 0.30218872967705 22.990 > 10 58 Na 0.08499962427183 0.25229468037837 0.80218872967705 22.990 > 10 59 Na 0.41833295760516 0.25229468037837 0.80218872967705 22.990 > 10 60 Na 0.75166629093850 0.25229468037837 0.80218872967705 22.990 > 10 61 Na 0.08499962427183 0.24770531962163 0.05218872967705 22.990 > 11 62 Na 0.41833295760516 0.24770531962163 0.05218872967705 22.990 > 11 63 Na 0.75166629093850 0.24770531962163 0.05218872967705 22.990 > 11 64 Na 0.08499962427183 0.24770531962163 0.55218872967705 22.990 > 11 65 Na 0.41833295760516 0.24770531962163 0.55218872967705 22.990 > 11 66 Na 0.75166629093850 0.24770531962163 0.55218872967705 22.990 > 11 67 Na 0.24833370906150 0.74770531962163 0.19781127032295 22.990 > 12 68 Na 0.58166704239484 0.74770531962163 0.19781127032295 22.990 > 12 69 Na 0.91500037572817 0.74770531962163 0.19781127032295 22.990 > 12 70 Na 0.24833370906150 0.74770531962163 0.69781127032295 22.990 > 12 71 Na 0.58166704239484 0.74770531962163 0.69781127032295 22.990 > 12 72 Na 0.91500037572817 0.74770531962163 0.69781127032295 22.990 > 12 *73 O 0.07771452188768 0.78140095462285 0.42444664025987 15.999 > 13 74 O 0.41104785522101 0.78140095462285 0.42444664025987 15.999 > 13 75 O 0.74438118855435 0.78140095462285 0.42444664025987 15.999 > 13 76 O 0.07771452188768 0.78140095462285 0.92444664025987 15.999 > 13 77 O 0.41104785522101 0.78140095462285 0.92444664025987 15.999 > 13 78 O 0.74438118855435 0.78140095462285 0.92444664025987 15.999 > 13 79 O 0.25561881144565 0.28140095462286 0.32555335974013 15.999 > 14 80 O 0.58895214477899 0.28140095462286 0.32555335974013 15.999 > 14 81 O 0.92228547811232 0.28140095462286 0.32555335974013 15.999 > 14 82 O 0.25561881144565 0.28140095462286 0.82555335974013 15.999 > 14 83 O 0.58895214477899 0.28140095462286 0.82555335974013 15.999 > 14 84 O 0.92228547811232 0.28140095462286 0.82555335974013 15.999 > 14 85 O 0.25561881144565 0.21859904537715 0.07555335974013 15.999 > 15 86 O 0.58895214477899 0.21859904537715 0.07555335974013 15.999 > 15 87 O 0.92228547811232 0.21859904537715 0.07555335974013 15.999 > 15 88 O 0.25561881144565 0.21859904537715 0.57555335974013 15.999 > 15 89 O 0.58895214477899 0.21859904537715 0.57555335974013 15.999 > 15 90 O 0.92228547811232 0.21859904537715 0.57555335974013 15.999 > 15 91 O 0.07771452188768 0.71859904537715 0.17444664025987 15.999 > 16 92 O 0.41104785522101 0.71859904537715 0.17444664025987 15.999 > 16 93 O 0.74438118855435 0.71859904537715 0.17444664025987 15.999 > 16 94 O 0.07771452188768 0.71859904537715 0.67444664025987 15.999 > 16 95 O 0.41104785522101 0.71859904537715 0.67444664025987 15.999 > 16 96 O 0.74438118855435 0.71859904537715 0.67444664025987 15.999 > 16 *97 O 0.25126082041639 0.56154424707359 0.33336081627625 15.999 > 17 98 O 0.58459415374972 0.56154424707359 0.33336081627625 15.999 > 17 99 O 0.91792748708305 0.56154424707359 0.33336081627625 15.999 > 17 100 O 0.25126082041639 0.56154424707359 0.83336081627625 15.999 > 17 101 O 0.58459415374972 0.56154424707359 0.83336081627625 15.999 > 17 102 O 0.91792748708305 0.56154424707359 0.83336081627625 15.999 > 17 103 O 0.08207251291695 0.06154424707359 0.41663918372375 15.999 > 18 104 O 0.41540584625028 0.06154424707359 0.41663918372375 15.999 > 18 105 O 0.74873917958361 0.06154424707359 0.41663918372375 15.999 > 18 106 O 0.08207251291695 0.06154424707359 0.91663918372375 15.999 > 18 107 O 0.41540584625028 0.06154424707359 0.91663918372375 15.999 > 18 108 O 0.74873917958361 0.06154424707359 0.91663918372375 15.999 > 18 109 O 0.08207251291695 0.43845575292641 0.16663918372375 15.999 > 19 110 O 0.41540584625028 0.43845575292641 0.16663918372375 15.999 > 19 111 O 0.74873917958361 0.43845575292641 0.16663918372375 15.999 > 19 112 O 0.08207251291695 0.43845575292641 0.66663918372375 15.999 > 19 113 O 0.41540584625028 0.43845575292641 0.66663918372375 15.999 > 19 114 O 0.74873917958361 0.43845575292641 0.66663918372375 15.999 > 19 115 O 0.25126082041639 0.93845575292641 0.08336081627625 15.999 > 20 116 O 0.58459415374972 0.93845575292641 0.08336081627625 15.999 > 20 117 O 0.91792748708305 0.93845575292641 0.08336081627625 15.999 > 20 118 O 0.25126082041639 0.93845575292641 0.58336081627625 15.999 > 20 119 O 0.58459415374972 0.93845575292641 0.58336081627625 15.999 > 20 120 O 0.91792748708305 0.93845575292641 0.58336081627625 15.999 > 20 *121 O 0.21543239809074 0.90716784320274 0.32031289756463 15.999 > 21 122 O 0.54876573142407 0.90716784320274 0.32031289756463 15.999 > 21 123 O 0.88209906475740 0.90716784320274 0.32031289756463 15.999 > 21 124 O 0.21543239809074 0.90716784320274 0.82031289756463 15.999 > 21 125 O 0.54876573142407 0.90716784320274 0.82031289756463 15.999 > 21 126 O 0.88209906475740 0.90716784320274 0.82031289756463 15.999 > 21 127 O 0.11790093524260 0.40716784320274 0.42968710243537 15.999 > 22 128 O 0.45123426857593 0.40716784320274 0.42968710243537 15.999 > 22 129 O 0.78456760190926 0.40716784320274 0.42968710243537 15.999 > 22 130 O 0.11790093524260 0.40716784320274 0.92968710243537 15.999 > 22 131 O 0.45123426857593 0.40716784320274 0.92968710243537 15.999 > 22 132 O 0.78456760190926 0.40716784320274 0.92968710243537 15.999 > 22 133 O 0.11790093524260 0.09283215679726 0.17968710243537 15.999 > 23 134 O 0.45123426857593 0.09283215679726 0.17968710243537 15.999 > 23 135 O 0.78456760190926 0.09283215679726 0.17968710243537 15.999 > 23 136 O 0.11790093524260 0.09283215679726 0.67968710243537 15.999 > 23 137 O 0.45123426857593 0.09283215679726 0.67968710243537 15.999 > 23 138 O 0.78456760190926 0.09283215679726 0.67968710243537 15.999 > 23 139 O 0.21543239809074 0.59283215679726 0.07031289756463 15.999 > 24 140 O 0.54876573142407 0.59283215679726 0.07031289756463 15.999 > 24 141 O 0.88209906475740 0.59283215679726 0.07031289756463 15.999 > 24 142 O 0.21543239809074 0.59283215679726 0.57031289756463 15.999 > 24 143 O 0.54876573142407 0.59283215679726 0.57031289756463 15.999 > 24 144 O 0.88209906475740 0.59283215679726 0.57031289756463 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7728087 0.0000000 -0.2708000 0.0000000 3.7508175 0.0000000 -0.2708000 0.0000000 3.6154237 -------------------------- Born effective charges -------------------------- 1 Te 3.0632217 0.1336953 -0.6754221 0.4399222 3.3802254 -0.1289835 -0.6876888 -0.1619602 3.1269293 2 Te 3.0632217 -0.1336953 -0.6754221 -0.4399222 3.3802254 0.1289835 -0.6876888 0.1619602 3.1269293 3 Te 3.0632217 0.1336953 -0.6754221 0.4399222 3.3802254 -0.1289835 -0.6876888 -0.1619602 3.1269293 4 Te 3.0632217 -0.1336953 -0.6754221 -0.4399222 3.3802254 0.1289835 -0.6876888 0.1619602 3.1269293 5 Na 1.0232867 -0.0155836 0.0031130 -0.0036002 0.9513060 0.0373404 -0.0057669 -0.0984016 1.1834760 6 Na 1.0232867 0.0155836 0.0031130 0.0036002 0.9513060 -0.0373404 -0.0057669 0.0984016 1.1834760 7 Na 1.0232867 -0.0155836 0.0031130 -0.0036002 0.9513060 0.0373404 -0.0057669 -0.0984016 1.1834760 8 Na 1.0232867 0.0155836 0.0031130 0.0036002 0.9513060 -0.0373404 -0.0057669 0.0984016 1.1834760 9 Na 1.1298518 -0.0168550 0.0140598 -0.0239882 1.2903334 0.0340526 0.0215208 -0.0472227 1.0375181 10 Na 1.1298518 0.0168550 0.0140598 0.0239882 1.2903334 -0.0340526 0.0215208 0.0472227 1.0375181 11 Na 1.1298518 -0.0168550 0.0140598 -0.0239882 1.2903334 0.0340526 0.0215208 -0.0472227 1.0375181 12 Na 1.1298518 0.0168550 0.0140598 0.0239882 1.2903334 -0.0340526 0.0215208 0.0472227 1.0375181 13 O -1.1254167 -0.3489972 0.3346447 -0.0944423 -2.2885722 1.1790465 0.0449245 0.9384920 -2.1208213 14 O -1.1254167 0.3489972 0.3346447 0.0944423 -2.2885722 -1.1790465 0.0449245 -0.9384920 -2.1208213 15 O -1.1254167 -0.3489972 0.3346447 -0.0944423 -2.2885722 1.1790465 0.0449245 0.9384920 -2.1208213 16 O -1.1254167 0.3489972 0.3346447 0.0944423 -2.2885722 -1.1790465 0.0449245 -0.9384920 -2.1208213 17 O -1.1411067 -0.3034241 0.2586270 0.0652976 -1.9769919 0.8204814 -0.0559579 0.6178534 -1.7778309 18 O -1.1411067 0.3034241 0.2586270 -0.0652976 -1.9769919 -0.8204814 -0.0559579 -0.6178534 -1.7778309 19 O -1.1411067 -0.3034241 0.2586270 0.0652976 -1.9769919 0.8204814 -0.0559579 0.6178534 -1.7778309 20 O -1.1411067 0.3034241 0.2586270 -0.0652976 -1.9769919 -0.8204814 -0.0559579 -0.6178534 -1.7778309 21 O -2.9498368 -0.1094850 0.0649777 -0.2758678 -1.3563007 0.3478039 0.6829682 0.3401731 -1.4492711 22 O -2.9498368 0.1094850 0.0649777 0.2758678 -1.3563007 -0.3478039 0.6829682 -0.3401731 -1.4492711 23 O -2.9498368 -0.1094850 0.0649777 -0.2758678 -1.3563007 0.3478039 0.6829682 0.3401731 -1.4492711 24 O -2.9498368 0.1094850 0.0649777 0.2758678 -1.3563007 -0.3478039 0.6829682 -0.3401731 -1.4492711 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.515 Solver_block: 200 / 720 - Time: 1.306 Solver_block: 300 / 720 - Time: 1.381 Solver_block: 400 / 720 - Time: 1.355 Solver_block: 500 / 720 - Time: 1.318 Solver_block: 600 / 720 - Time: 1.484 Solver_block: 700 / 720 - Time: 1.324 Solver_block: 720 / 720 - Time: 0.377 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.434 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), 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 10:18:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:18:21]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.911690460557144 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.201931904077812 0.000000000000000 6.797621922274272 Atomic positions (fractional): 1 Te 0.26031400181579 0.91754172791962 0.65812219867782 127.600 2 Te 0.73968599818421 0.41754172791962 0.84187780132218 127.600 3 Te 0.73968599818421 0.08245827208039 0.34187780132218 127.600 4 Te 0.26031400181579 0.58245827208038 0.15812219867782 127.600 5 Na 0.24704467281061 0.58580300430211 0.63583442662189 22.990 6 Na 0.75295532718939 0.08580300430211 0.86416557337811 22.990 7 Na 0.75295532718939 0.41419699569789 0.36416557337811 22.990 8 Na 0.24704467281061 0.91419699569789 0.13583442662189 22.990 9 Na 0.74500112718451 0.75229468037837 0.89562254064590 22.990 10 Na 0.25499887281549 0.25229468037837 0.60437745935410 22.990 11 Na 0.25499887281549 0.24770531962163 0.10437745935410 22.990 12 Na 0.74500112718451 0.74770531962163 0.39562254064590 22.990 13 O 0.23314356566304 0.78140095462285 0.84889328051974 15.999 14 O 0.76685643433696 0.28140095462286 0.65110671948026 15.999 15 O 0.76685643433696 0.21859904537715 0.15110671948026 15.999 16 O 0.23314356566304 0.71859904537715 0.34889328051974 15.999 17 O 0.75378246124916 0.56154424707359 0.66672163255250 15.999 18 O 0.24621753875084 0.06154424707359 0.83327836744750 15.999 19 O 0.24621753875084 0.43845575292641 0.33327836744750 15.999 20 O 0.75378246124916 0.93845575292641 0.16672163255250 15.999 21 O 0.64629719427221 0.90716784320274 0.64062579512926 15.999 22 O 0.35370280572779 0.40716784320274 0.85937420487074 15.999 23 O 0.35370280572779 0.09283215679726 0.35937420487074 15.999 24 O 0.64629719427221 0.59283215679726 0.14062579512926 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.735071381671432 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.403863808155624 0.000000000000000 13.595243844548545 Atomic positions (fractional): 1 Te 0.08677133393860 0.91754172791962 0.32906109933891 127.600 > 1 2 Te 0.42010466727193 0.91754172791962 0.32906109933891 127.600 > 1 3 Te 0.75343800060526 0.91754172791962 0.32906109933891 127.600 > 1 4 Te 0.08677133393860 0.91754172791962 0.82906109933891 127.600 > 1 5 Te 0.42010466727193 0.91754172791962 0.82906109933891 127.600 > 1 6 Te 0.75343800060526 0.91754172791962 0.82906109933891 127.600 > 1 7 Te 0.24656199939474 0.41754172791962 0.42093890066109 127.600 > 7 8 Te 0.57989533272807 0.41754172791962 0.42093890066109 127.600 > 7 9 Te 0.91322866606140 0.41754172791962 0.42093890066109 127.600 > 7 10 Te 0.24656199939474 0.41754172791962 0.92093890066109 127.600 > 7 11 Te 0.57989533272807 0.41754172791962 0.92093890066109 127.600 > 7 12 Te 0.91322866606140 0.41754172791962 0.92093890066109 127.600 > 7 13 Te 0.24656199939474 0.08245827208039 0.17093890066109 127.600 > 13 14 Te 0.57989533272807 0.08245827208039 0.17093890066109 127.600 > 13 15 Te 0.91322866606140 0.08245827208039 0.17093890066109 127.600 > 13 16 Te 0.24656199939474 0.08245827208039 0.67093890066109 127.600 > 13 17 Te 0.57989533272807 0.08245827208039 0.67093890066109 127.600 > 13 18 Te 0.91322866606140 0.08245827208039 0.67093890066109 127.600 > 13 19 Te 0.08677133393860 0.58245827208038 0.07906109933891 127.600 > 19 20 Te 0.42010466727193 0.58245827208038 0.07906109933891 127.600 > 19 21 Te 0.75343800060526 0.58245827208038 0.07906109933891 127.600 > 19 22 Te 0.08677133393860 0.58245827208038 0.57906109933891 127.600 > 19 23 Te 0.42010466727193 0.58245827208038 0.57906109933891 127.600 > 19 24 Te 0.75343800060526 0.58245827208038 0.57906109933891 127.600 > 19 25 Na 0.08234822427020 0.58580300430211 0.31791721331095 22.990 > 25 26 Na 0.41568155760354 0.58580300430211 0.31791721331095 22.990 > 25 27 Na 0.74901489093687 0.58580300430211 0.31791721331095 22.990 > 25 28 Na 0.08234822427020 0.58580300430211 0.81791721331095 22.990 > 25 29 Na 0.41568155760354 0.58580300430211 0.81791721331095 22.990 > 25 30 Na 0.74901489093687 0.58580300430211 0.81791721331095 22.990 > 25 31 Na 0.25098510906313 0.08580300430211 0.43208278668905 22.990 > 31 32 Na 0.58431844239646 0.08580300430211 0.43208278668905 22.990 > 31 33 Na 0.91765177572980 0.08580300430211 0.43208278668905 22.990 > 31 34 Na 0.25098510906313 0.08580300430211 0.93208278668905 22.990 > 31 35 Na 0.58431844239646 0.08580300430211 0.93208278668905 22.990 > 31 36 Na 0.91765177572980 0.08580300430211 0.93208278668905 22.990 > 31 37 Na 0.25098510906313 0.41419699569789 0.18208278668905 22.990 > 37 38 Na 0.58431844239646 0.41419699569789 0.18208278668905 22.990 > 37 39 Na 0.91765177572980 0.41419699569789 0.18208278668905 22.990 > 37 40 Na 0.25098510906313 0.41419699569789 0.68208278668905 22.990 > 37 41 Na 0.58431844239646 0.41419699569789 0.68208278668905 22.990 > 37 42 Na 0.91765177572980 0.41419699569789 0.68208278668905 22.990 > 37 43 Na 0.08234822427020 0.91419699569789 0.06791721331095 22.990 > 43 44 Na 0.41568155760354 0.91419699569789 0.06791721331095 22.990 > 43 45 Na 0.74901489093687 0.91419699569789 0.06791721331095 22.990 > 43 46 Na 0.08234822427020 0.91419699569789 0.56791721331095 22.990 > 43 47 Na 0.41568155760354 0.91419699569789 0.56791721331095 22.990 > 43 48 Na 0.74901489093687 0.91419699569789 0.56791721331095 22.990 > 43 49 Na 0.24833370906150 0.75229468037837 0.44781127032295 22.990 > 49 50 Na 0.58166704239484 0.75229468037837 0.44781127032295 22.990 > 49 51 Na 0.91500037572817 0.75229468037837 0.44781127032295 22.990 > 49 52 Na 0.24833370906150 0.75229468037837 0.94781127032295 22.990 > 49 53 Na 0.58166704239484 0.75229468037837 0.94781127032295 22.990 > 49 54 Na 0.91500037572817 0.75229468037837 0.94781127032295 22.990 > 49 55 Na 0.08499962427183 0.25229468037837 0.30218872967705 22.990 > 55 56 Na 0.41833295760516 0.25229468037837 0.30218872967705 22.990 > 55 57 Na 0.75166629093850 0.25229468037837 0.30218872967705 22.990 > 55 58 Na 0.08499962427183 0.25229468037837 0.80218872967705 22.990 > 55 59 Na 0.41833295760516 0.25229468037837 0.80218872967705 22.990 > 55 60 Na 0.75166629093850 0.25229468037837 0.80218872967705 22.990 > 55 61 Na 0.08499962427183 0.24770531962163 0.05218872967705 22.990 > 61 62 Na 0.41833295760516 0.24770531962163 0.05218872967705 22.990 > 61 63 Na 0.75166629093850 0.24770531962163 0.05218872967705 22.990 > 61 64 Na 0.08499962427183 0.24770531962163 0.55218872967705 22.990 > 61 65 Na 0.41833295760516 0.24770531962163 0.55218872967705 22.990 > 61 66 Na 0.75166629093850 0.24770531962163 0.55218872967705 22.990 > 61 67 Na 0.24833370906150 0.74770531962163 0.19781127032295 22.990 > 67 68 Na 0.58166704239484 0.74770531962163 0.19781127032295 22.990 > 67 69 Na 0.91500037572817 0.74770531962163 0.19781127032295 22.990 > 67 70 Na 0.24833370906150 0.74770531962163 0.69781127032295 22.990 > 67 71 Na 0.58166704239484 0.74770531962163 0.69781127032295 22.990 > 67 72 Na 0.91500037572817 0.74770531962163 0.69781127032295 22.990 > 67 73 O 0.07771452188768 0.78140095462285 0.42444664025987 15.999 > 73 74 O 0.41104785522101 0.78140095462285 0.42444664025987 15.999 > 73 75 O 0.74438118855435 0.78140095462285 0.42444664025987 15.999 > 73 76 O 0.07771452188768 0.78140095462285 0.92444664025987 15.999 > 73 77 O 0.41104785522101 0.78140095462285 0.92444664025987 15.999 > 73 78 O 0.74438118855435 0.78140095462285 0.92444664025987 15.999 > 73 79 O 0.25561881144565 0.28140095462286 0.32555335974013 15.999 > 79 80 O 0.58895214477899 0.28140095462286 0.32555335974013 15.999 > 79 81 O 0.92228547811232 0.28140095462286 0.32555335974013 15.999 > 79 82 O 0.25561881144565 0.28140095462286 0.82555335974013 15.999 > 79 83 O 0.58895214477899 0.28140095462286 0.82555335974013 15.999 > 79 84 O 0.92228547811232 0.28140095462286 0.82555335974013 15.999 > 79 85 O 0.25561881144565 0.21859904537715 0.07555335974013 15.999 > 85 86 O 0.58895214477899 0.21859904537715 0.07555335974013 15.999 > 85 87 O 0.92228547811232 0.21859904537715 0.07555335974013 15.999 > 85 88 O 0.25561881144565 0.21859904537715 0.57555335974013 15.999 > 85 89 O 0.58895214477899 0.21859904537715 0.57555335974013 15.999 > 85 90 O 0.92228547811232 0.21859904537715 0.57555335974013 15.999 > 85 91 O 0.07771452188768 0.71859904537715 0.17444664025987 15.999 > 91 92 O 0.41104785522101 0.71859904537715 0.17444664025987 15.999 > 91 93 O 0.74438118855435 0.71859904537715 0.17444664025987 15.999 > 91 94 O 0.07771452188768 0.71859904537715 0.67444664025987 15.999 > 91 95 O 0.41104785522101 0.71859904537715 0.67444664025987 15.999 > 91 96 O 0.74438118855435 0.71859904537715 0.67444664025987 15.999 > 91 97 O 0.25126082041639 0.56154424707359 0.33336081627625 15.999 > 97 98 O 0.58459415374972 0.56154424707359 0.33336081627625 15.999 > 97 99 O 0.91792748708305 0.56154424707359 0.33336081627625 15.999 > 97 100 O 0.25126082041639 0.56154424707359 0.83336081627625 15.999 > 97 101 O 0.58459415374972 0.56154424707359 0.83336081627625 15.999 > 97 102 O 0.91792748708305 0.56154424707359 0.83336081627625 15.999 > 97 103 O 0.08207251291695 0.06154424707359 0.41663918372375 15.999 > 103 104 O 0.41540584625028 0.06154424707359 0.41663918372375 15.999 > 103 105 O 0.74873917958361 0.06154424707359 0.41663918372375 15.999 > 103 106 O 0.08207251291695 0.06154424707359 0.91663918372375 15.999 > 103 107 O 0.41540584625028 0.06154424707359 0.91663918372375 15.999 > 103 108 O 0.74873917958361 0.06154424707359 0.91663918372375 15.999 > 103 109 O 0.08207251291695 0.43845575292641 0.16663918372375 15.999 > 109 110 O 0.41540584625028 0.43845575292641 0.16663918372375 15.999 > 109 111 O 0.74873917958361 0.43845575292641 0.16663918372375 15.999 > 109 112 O 0.08207251291695 0.43845575292641 0.66663918372375 15.999 > 109 113 O 0.41540584625028 0.43845575292641 0.66663918372375 15.999 > 109 114 O 0.74873917958361 0.43845575292641 0.66663918372375 15.999 > 109 115 O 0.25126082041639 0.93845575292641 0.08336081627625 15.999 > 115 116 O 0.58459415374972 0.93845575292641 0.08336081627625 15.999 > 115 117 O 0.91792748708305 0.93845575292641 0.08336081627625 15.999 > 115 118 O 0.25126082041639 0.93845575292641 0.58336081627625 15.999 > 115 119 O 0.58459415374972 0.93845575292641 0.58336081627625 15.999 > 115 120 O 0.91792748708305 0.93845575292641 0.58336081627625 15.999 > 115 121 O 0.21543239809074 0.90716784320274 0.32031289756463 15.999 > 121 122 O 0.54876573142407 0.90716784320274 0.32031289756463 15.999 > 121 123 O 0.88209906475740 0.90716784320274 0.32031289756463 15.999 > 121 124 O 0.21543239809074 0.90716784320274 0.82031289756463 15.999 > 121 125 O 0.54876573142407 0.90716784320274 0.82031289756463 15.999 > 121 126 O 0.88209906475740 0.90716784320274 0.82031289756463 15.999 > 121 127 O 0.11790093524260 0.40716784320274 0.42968710243537 15.999 > 127 128 O 0.45123426857593 0.40716784320274 0.42968710243537 15.999 > 127 129 O 0.78456760190926 0.40716784320274 0.42968710243537 15.999 > 127 130 O 0.11790093524260 0.40716784320274 0.92968710243537 15.999 > 127 131 O 0.45123426857593 0.40716784320274 0.92968710243537 15.999 > 127 132 O 0.78456760190926 0.40716784320274 0.92968710243537 15.999 > 127 133 O 0.11790093524260 0.09283215679726 0.17968710243537 15.999 > 133 134 O 0.45123426857593 0.09283215679726 0.17968710243537 15.999 > 133 135 O 0.78456760190926 0.09283215679726 0.17968710243537 15.999 > 133 136 O 0.11790093524260 0.09283215679726 0.67968710243537 15.999 > 133 137 O 0.45123426857593 0.09283215679726 0.67968710243537 15.999 > 133 138 O 0.78456760190926 0.09283215679726 0.67968710243537 15.999 > 133 139 O 0.21543239809074 0.59283215679726 0.07031289756463 15.999 > 139 140 O 0.54876573142407 0.59283215679726 0.07031289756463 15.999 > 139 141 O 0.88209906475740 0.59283215679726 0.07031289756463 15.999 > 139 142 O 0.21543239809074 0.59283215679726 0.57031289756463 15.999 > 139 143 O 0.54876573142407 0.59283215679726 0.57031289756463 15.999 > 139 144 O 0.88209906475740 0.59283215679726 0.57031289756463 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7728087 0.0000000 -0.2708000 0.0000000 3.7508175 0.0000000 -0.2708000 0.0000000 3.6154237 -------------------------- Born effective charges -------------------------- 1 Te 3.0632217 0.1336953 -0.6754221 0.4399222 3.3802254 -0.1289835 -0.6876888 -0.1619602 3.1269293 2 Te 3.0632217 -0.1336953 -0.6754221 -0.4399222 3.3802254 0.1289835 -0.6876888 0.1619602 3.1269293 3 Te 3.0632217 0.1336953 -0.6754221 0.4399222 3.3802254 -0.1289835 -0.6876888 -0.1619602 3.1269293 4 Te 3.0632217 -0.1336953 -0.6754221 -0.4399222 3.3802254 0.1289835 -0.6876888 0.1619602 3.1269293 5 Na 1.0232867 -0.0155836 0.0031130 -0.0036002 0.9513060 0.0373404 -0.0057669 -0.0984016 1.1834760 6 Na 1.0232867 0.0155836 0.0031130 0.0036002 0.9513060 -0.0373404 -0.0057669 0.0984016 1.1834760 7 Na 1.0232867 -0.0155836 0.0031130 -0.0036002 0.9513060 0.0373404 -0.0057669 -0.0984016 1.1834760 8 Na 1.0232867 0.0155836 0.0031130 0.0036002 0.9513060 -0.0373404 -0.0057669 0.0984016 1.1834760 9 Na 1.1298518 -0.0168550 0.0140598 -0.0239882 1.2903334 0.0340526 0.0215208 -0.0472227 1.0375181 10 Na 1.1298518 0.0168550 0.0140598 0.0239882 1.2903334 -0.0340526 0.0215208 0.0472227 1.0375181 11 Na 1.1298518 -0.0168550 0.0140598 -0.0239882 1.2903334 0.0340526 0.0215208 -0.0472227 1.0375181 12 Na 1.1298518 0.0168550 0.0140598 0.0239882 1.2903334 -0.0340526 0.0215208 0.0472227 1.0375181 13 O -1.1254167 -0.3489972 0.3346447 -0.0944423 -2.2885722 1.1790465 0.0449245 0.9384920 -2.1208213 14 O -1.1254167 0.3489972 0.3346447 0.0944423 -2.2885722 -1.1790465 0.0449245 -0.9384920 -2.1208213 15 O -1.1254167 -0.3489972 0.3346447 -0.0944423 -2.2885722 1.1790465 0.0449245 0.9384920 -2.1208213 16 O -1.1254167 0.3489972 0.3346447 0.0944423 -2.2885722 -1.1790465 0.0449245 -0.9384920 -2.1208213 17 O -1.1411067 -0.3034241 0.2586270 0.0652976 -1.9769919 0.8204814 -0.0559579 0.6178534 -1.7778309 18 O -1.1411067 0.3034241 0.2586270 -0.0652976 -1.9769919 -0.8204814 -0.0559579 -0.6178534 -1.7778309 19 O -1.1411067 -0.3034241 0.2586270 0.0652976 -1.9769919 0.8204814 -0.0559579 0.6178534 -1.7778309 20 O -1.1411067 0.3034241 0.2586270 -0.0652976 -1.9769919 -0.8204814 -0.0559579 -0.6178534 -1.7778309 21 O -2.9498368 -0.1094850 0.0649777 -0.2758678 -1.3563007 0.3478039 0.6829682 0.3401731 -1.4492711 22 O -2.9498368 0.1094850 0.0649777 0.2758678 -1.3563007 -0.3478039 0.6829682 -0.3401731 -1.4492711 23 O -2.9498368 -0.1094850 0.0649777 -0.2758678 -1.3563007 0.3478039 0.6829682 0.3401731 -1.4492711 24 O -2.9498368 0.1094850 0.0649777 0.2758678 -1.3563007 -0.3478039 0.6829682 -0.3401731 -1.4492711 ---------------------------------------------------------------------------- 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[ 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[ 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[ 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[ 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[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 10:19:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:19:03]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.911690460557144 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.201931904077812 0.000000000000000 6.797621922274272 Atomic positions (fractional): 1 Te 0.26031400181579 0.91754172791962 0.65812219867782 127.600 2 Te 0.73968599818421 0.41754172791962 0.84187780132218 127.600 3 Te 0.73968599818421 0.08245827208039 0.34187780132218 127.600 4 Te 0.26031400181579 0.58245827208038 0.15812219867782 127.600 5 Na 0.24704467281061 0.58580300430211 0.63583442662189 22.990 6 Na 0.75295532718939 0.08580300430211 0.86416557337811 22.990 7 Na 0.75295532718939 0.41419699569789 0.36416557337811 22.990 8 Na 0.24704467281061 0.91419699569789 0.13583442662189 22.990 9 Na 0.74500112718451 0.75229468037837 0.89562254064590 22.990 10 Na 0.25499887281549 0.25229468037837 0.60437745935410 22.990 11 Na 0.25499887281549 0.24770531962163 0.10437745935410 22.990 12 Na 0.74500112718451 0.74770531962163 0.39562254064590 22.990 13 O 0.23314356566304 0.78140095462285 0.84889328051974 15.999 14 O 0.76685643433696 0.28140095462286 0.65110671948026 15.999 15 O 0.76685643433696 0.21859904537715 0.15110671948026 15.999 16 O 0.23314356566304 0.71859904537715 0.34889328051974 15.999 17 O 0.75378246124916 0.56154424707359 0.66672163255250 15.999 18 O 0.24621753875084 0.06154424707359 0.83327836744750 15.999 19 O 0.24621753875084 0.43845575292641 0.33327836744750 15.999 20 O 0.75378246124916 0.93845575292641 0.16672163255250 15.999 21 O 0.64629719427221 0.90716784320274 0.64062579512926 15.999 22 O 0.35370280572779 0.40716784320274 0.85937420487074 15.999 23 O 0.35370280572779 0.09283215679726 0.35937420487074 15.999 24 O 0.64629719427221 0.59283215679726 0.14062579512926 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.735071381671432 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233524780000000 0.000000000000000 c -0.403863808155624 0.000000000000000 13.595243844548545 Atomic positions (fractional): 1 Te 0.08677133393860 0.91754172791962 0.32906109933891 127.600 > 1 2 Te 0.42010466727193 0.91754172791962 0.32906109933891 127.600 > 1 3 Te 0.75343800060526 0.91754172791962 0.32906109933891 127.600 > 1 4 Te 0.08677133393860 0.91754172791962 0.82906109933891 127.600 > 1 5 Te 0.42010466727193 0.91754172791962 0.82906109933891 127.600 > 1 6 Te 0.75343800060526 0.91754172791962 0.82906109933891 127.600 > 1 7 Te 0.24656199939474 0.41754172791962 0.42093890066109 127.600 > 7 8 Te 0.57989533272807 0.41754172791962 0.42093890066109 127.600 > 7 9 Te 0.91322866606140 0.41754172791962 0.42093890066109 127.600 > 7 10 Te 0.24656199939474 0.41754172791962 0.92093890066109 127.600 > 7 11 Te 0.57989533272807 0.41754172791962 0.92093890066109 127.600 > 7 12 Te 0.91322866606140 0.41754172791962 0.92093890066109 127.600 > 7 13 Te 0.24656199939474 0.08245827208039 0.17093890066109 127.600 > 13 14 Te 0.57989533272807 0.08245827208039 0.17093890066109 127.600 > 13 15 Te 0.91322866606140 0.08245827208039 0.17093890066109 127.600 > 13 16 Te 0.24656199939474 0.08245827208039 0.67093890066109 127.600 > 13 17 Te 0.57989533272807 0.08245827208039 0.67093890066109 127.600 > 13 18 Te 0.91322866606140 0.08245827208039 0.67093890066109 127.600 > 13 19 Te 0.08677133393860 0.58245827208038 0.07906109933891 127.600 > 19 20 Te 0.42010466727193 0.58245827208038 0.07906109933891 127.600 > 19 21 Te 0.75343800060526 0.58245827208038 0.07906109933891 127.600 > 19 22 Te 0.08677133393860 0.58245827208038 0.57906109933891 127.600 > 19 23 Te 0.42010466727193 0.58245827208038 0.57906109933891 127.600 > 19 24 Te 0.75343800060526 0.58245827208038 0.57906109933891 127.600 > 19 25 Na 0.08234822427020 0.58580300430211 0.31791721331095 22.990 > 25 26 Na 0.41568155760354 0.58580300430211 0.31791721331095 22.990 > 25 27 Na 0.74901489093687 0.58580300430211 0.31791721331095 22.990 > 25 28 Na 0.08234822427020 0.58580300430211 0.81791721331095 22.990 > 25 29 Na 0.41568155760354 0.58580300430211 0.81791721331095 22.990 > 25 30 Na 0.74901489093687 0.58580300430211 0.81791721331095 22.990 > 25 31 Na 0.25098510906313 0.08580300430211 0.43208278668905 22.990 > 31 32 Na 0.58431844239646 0.08580300430211 0.43208278668905 22.990 > 31 33 Na 0.91765177572980 0.08580300430211 0.43208278668905 22.990 > 31 34 Na 0.25098510906313 0.08580300430211 0.93208278668905 22.990 > 31 35 Na 0.58431844239646 0.08580300430211 0.93208278668905 22.990 > 31 36 Na 0.91765177572980 0.08580300430211 0.93208278668905 22.990 > 31 37 Na 0.25098510906313 0.41419699569789 0.18208278668905 22.990 > 37 38 Na 0.58431844239646 0.41419699569789 0.18208278668905 22.990 > 37 39 Na 0.91765177572980 0.41419699569789 0.18208278668905 22.990 > 37 40 Na 0.25098510906313 0.41419699569789 0.68208278668905 22.990 > 37 41 Na 0.58431844239646 0.41419699569789 0.68208278668905 22.990 > 37 42 Na 0.91765177572980 0.41419699569789 0.68208278668905 22.990 > 37 43 Na 0.08234822427020 0.91419699569789 0.06791721331095 22.990 > 43 44 Na 0.41568155760354 0.91419699569789 0.06791721331095 22.990 > 43 45 Na 0.74901489093687 0.91419699569789 0.06791721331095 22.990 > 43 46 Na 0.08234822427020 0.91419699569789 0.56791721331095 22.990 > 43 47 Na 0.41568155760354 0.91419699569789 0.56791721331095 22.990 > 43 48 Na 0.74901489093687 0.91419699569789 0.56791721331095 22.990 > 43 49 Na 0.24833370906150 0.75229468037837 0.44781127032295 22.990 > 49 50 Na 0.58166704239484 0.75229468037837 0.44781127032295 22.990 > 49 51 Na 0.91500037572817 0.75229468037837 0.44781127032295 22.990 > 49 52 Na 0.24833370906150 0.75229468037837 0.94781127032295 22.990 > 49 53 Na 0.58166704239484 0.75229468037837 0.94781127032295 22.990 > 49 54 Na 0.91500037572817 0.75229468037837 0.94781127032295 22.990 > 49 55 Na 0.08499962427183 0.25229468037837 0.30218872967705 22.990 > 55 56 Na 0.41833295760516 0.25229468037837 0.30218872967705 22.990 > 55 57 Na 0.75166629093850 0.25229468037837 0.30218872967705 22.990 > 55 58 Na 0.08499962427183 0.25229468037837 0.80218872967705 22.990 > 55 59 Na 0.41833295760516 0.25229468037837 0.80218872967705 22.990 > 55 60 Na 0.75166629093850 0.25229468037837 0.80218872967705 22.990 > 55 61 Na 0.08499962427183 0.24770531962163 0.05218872967705 22.990 > 61 62 Na 0.41833295760516 0.24770531962163 0.05218872967705 22.990 > 61 63 Na 0.75166629093850 0.24770531962163 0.05218872967705 22.990 > 61 64 Na 0.08499962427183 0.24770531962163 0.55218872967705 22.990 > 61 65 Na 0.41833295760516 0.24770531962163 0.55218872967705 22.990 > 61 66 Na 0.75166629093850 0.24770531962163 0.55218872967705 22.990 > 61 67 Na 0.24833370906150 0.74770531962163 0.19781127032295 22.990 > 67 68 Na 0.58166704239484 0.74770531962163 0.19781127032295 22.990 > 67 69 Na 0.91500037572817 0.74770531962163 0.19781127032295 22.990 > 67 70 Na 0.24833370906150 0.74770531962163 0.69781127032295 22.990 > 67 71 Na 0.58166704239484 0.74770531962163 0.69781127032295 22.990 > 67 72 Na 0.91500037572817 0.74770531962163 0.69781127032295 22.990 > 67 73 O 0.07771452188768 0.78140095462285 0.42444664025987 15.999 > 73 74 O 0.41104785522101 0.78140095462285 0.42444664025987 15.999 > 73 75 O 0.74438118855435 0.78140095462285 0.42444664025987 15.999 > 73 76 O 0.07771452188768 0.78140095462285 0.92444664025987 15.999 > 73 77 O 0.41104785522101 0.78140095462285 0.92444664025987 15.999 > 73 78 O 0.74438118855435 0.78140095462285 0.92444664025987 15.999 > 73 79 O 0.25561881144565 0.28140095462286 0.32555335974013 15.999 > 79 80 O 0.58895214477899 0.28140095462286 0.32555335974013 15.999 > 79 81 O 0.92228547811232 0.28140095462286 0.32555335974013 15.999 > 79 82 O 0.25561881144565 0.28140095462286 0.82555335974013 15.999 > 79 83 O 0.58895214477899 0.28140095462286 0.82555335974013 15.999 > 79 84 O 0.92228547811232 0.28140095462286 0.82555335974013 15.999 > 79 85 O 0.25561881144565 0.21859904537715 0.07555335974013 15.999 > 85 86 O 0.58895214477899 0.21859904537715 0.07555335974013 15.999 > 85 87 O 0.92228547811232 0.21859904537715 0.07555335974013 15.999 > 85 88 O 0.25561881144565 0.21859904537715 0.57555335974013 15.999 > 85 89 O 0.58895214477899 0.21859904537715 0.57555335974013 15.999 > 85 90 O 0.92228547811232 0.21859904537715 0.57555335974013 15.999 > 85 91 O 0.07771452188768 0.71859904537715 0.17444664025987 15.999 > 91 92 O 0.41104785522101 0.71859904537715 0.17444664025987 15.999 > 91 93 O 0.74438118855435 0.71859904537715 0.17444664025987 15.999 > 91 94 O 0.07771452188768 0.71859904537715 0.67444664025987 15.999 > 91 95 O 0.41104785522101 0.71859904537715 0.67444664025987 15.999 > 91 96 O 0.74438118855435 0.71859904537715 0.67444664025987 15.999 > 91 97 O 0.25126082041639 0.56154424707359 0.33336081627625 15.999 > 97 98 O 0.58459415374972 0.56154424707359 0.33336081627625 15.999 > 97 99 O 0.91792748708305 0.56154424707359 0.33336081627625 15.999 > 97 100 O 0.25126082041639 0.56154424707359 0.83336081627625 15.999 > 97 101 O 0.58459415374972 0.56154424707359 0.83336081627625 15.999 > 97 102 O 0.91792748708305 0.56154424707359 0.83336081627625 15.999 > 97 103 O 0.08207251291695 0.06154424707359 0.41663918372375 15.999 > 103 104 O 0.41540584625028 0.06154424707359 0.41663918372375 15.999 > 103 105 O 0.74873917958361 0.06154424707359 0.41663918372375 15.999 > 103 106 O 0.08207251291695 0.06154424707359 0.91663918372375 15.999 > 103 107 O 0.41540584625028 0.06154424707359 0.91663918372375 15.999 > 103 108 O 0.74873917958361 0.06154424707359 0.91663918372375 15.999 > 103 109 O 0.08207251291695 0.43845575292641 0.16663918372375 15.999 > 109 110 O 0.41540584625028 0.43845575292641 0.16663918372375 15.999 > 109 111 O 0.74873917958361 0.43845575292641 0.16663918372375 15.999 > 109 112 O 0.08207251291695 0.43845575292641 0.66663918372375 15.999 > 109 113 O 0.41540584625028 0.43845575292641 0.66663918372375 15.999 > 109 114 O 0.74873917958361 0.43845575292641 0.66663918372375 15.999 > 109 115 O 0.25126082041639 0.93845575292641 0.08336081627625 15.999 > 115 116 O 0.58459415374972 0.93845575292641 0.08336081627625 15.999 > 115 117 O 0.91792748708305 0.93845575292641 0.08336081627625 15.999 > 115 118 O 0.25126082041639 0.93845575292641 0.58336081627625 15.999 > 115 119 O 0.58459415374972 0.93845575292641 0.58336081627625 15.999 > 115 120 O 0.91792748708305 0.93845575292641 0.58336081627625 15.999 > 115 121 O 0.21543239809074 0.90716784320274 0.32031289756463 15.999 > 121 122 O 0.54876573142407 0.90716784320274 0.32031289756463 15.999 > 121 123 O 0.88209906475740 0.90716784320274 0.32031289756463 15.999 > 121 124 O 0.21543239809074 0.90716784320274 0.82031289756463 15.999 > 121 125 O 0.54876573142407 0.90716784320274 0.82031289756463 15.999 > 121 126 O 0.88209906475740 0.90716784320274 0.82031289756463 15.999 > 121 127 O 0.11790093524260 0.40716784320274 0.42968710243537 15.999 > 127 128 O 0.45123426857593 0.40716784320274 0.42968710243537 15.999 > 127 129 O 0.78456760190926 0.40716784320274 0.42968710243537 15.999 > 127 130 O 0.11790093524260 0.40716784320274 0.92968710243537 15.999 > 127 131 O 0.45123426857593 0.40716784320274 0.92968710243537 15.999 > 127 132 O 0.78456760190926 0.40716784320274 0.92968710243537 15.999 > 127 133 O 0.11790093524260 0.09283215679726 0.17968710243537 15.999 > 133 134 O 0.45123426857593 0.09283215679726 0.17968710243537 15.999 > 133 135 O 0.78456760190926 0.09283215679726 0.17968710243537 15.999 > 133 136 O 0.11790093524260 0.09283215679726 0.67968710243537 15.999 > 133 137 O 0.45123426857593 0.09283215679726 0.67968710243537 15.999 > 133 138 O 0.78456760190926 0.09283215679726 0.67968710243537 15.999 > 133 139 O 0.21543239809074 0.59283215679726 0.07031289756463 15.999 > 139 140 O 0.54876573142407 0.59283215679726 0.07031289756463 15.999 > 139 141 O 0.88209906475740 0.59283215679726 0.07031289756463 15.999 > 139 142 O 0.21543239809074 0.59283215679726 0.57031289756463 15.999 > 139 143 O 0.54876573142407 0.59283215679726 0.57031289756463 15.999 > 139 144 O 0.88209906475740 0.59283215679726 0.57031289756463 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7728087 0.0000000 -0.2708000 0.0000000 3.7508175 0.0000000 -0.2708000 0.0000000 3.6154237 -------------------------- Born effective charges -------------------------- 1 Te 3.0632217 0.1336953 -0.6754221 0.4399222 3.3802254 -0.1289835 -0.6876888 -0.1619602 3.1269293 2 Te 3.0632217 -0.1336953 -0.6754221 -0.4399222 3.3802254 0.1289835 -0.6876888 0.1619602 3.1269293 3 Te 3.0632217 0.1336953 -0.6754221 0.4399222 3.3802254 -0.1289835 -0.6876888 -0.1619602 3.1269293 4 Te 3.0632217 -0.1336953 -0.6754221 -0.4399222 3.3802254 0.1289835 -0.6876888 0.1619602 3.1269293 5 Na 1.0232867 -0.0155836 0.0031130 -0.0036002 0.9513060 0.0373404 -0.0057669 -0.0984016 1.1834760 6 Na 1.0232867 0.0155836 0.0031130 0.0036002 0.9513060 -0.0373404 -0.0057669 0.0984016 1.1834760 7 Na 1.0232867 -0.0155836 0.0031130 -0.0036002 0.9513060 0.0373404 -0.0057669 -0.0984016 1.1834760 8 Na 1.0232867 0.0155836 0.0031130 0.0036002 0.9513060 -0.0373404 -0.0057669 0.0984016 1.1834760 9 Na 1.1298518 -0.0168550 0.0140598 -0.0239882 1.2903334 0.0340526 0.0215208 -0.0472227 1.0375181 10 Na 1.1298518 0.0168550 0.0140598 0.0239882 1.2903334 -0.0340526 0.0215208 0.0472227 1.0375181 11 Na 1.1298518 -0.0168550 0.0140598 -0.0239882 1.2903334 0.0340526 0.0215208 -0.0472227 1.0375181 12 Na 1.1298518 0.0168550 0.0140598 0.0239882 1.2903334 -0.0340526 0.0215208 0.0472227 1.0375181 13 O -1.1254167 -0.3489972 0.3346447 -0.0944423 -2.2885722 1.1790465 0.0449245 0.9384920 -2.1208213 14 O -1.1254167 0.3489972 0.3346447 0.0944423 -2.2885722 -1.1790465 0.0449245 -0.9384920 -2.1208213 15 O -1.1254167 -0.3489972 0.3346447 -0.0944423 -2.2885722 1.1790465 0.0449245 0.9384920 -2.1208213 16 O -1.1254167 0.3489972 0.3346447 0.0944423 -2.2885722 -1.1790465 0.0449245 -0.9384920 -2.1208213 17 O -1.1411067 -0.3034241 0.2586270 0.0652976 -1.9769919 0.8204814 -0.0559579 0.6178534 -1.7778309 18 O -1.1411067 0.3034241 0.2586270 -0.0652976 -1.9769919 -0.8204814 -0.0559579 -0.6178534 -1.7778309 19 O -1.1411067 -0.3034241 0.2586270 0.0652976 -1.9769919 0.8204814 -0.0559579 0.6178534 -1.7778309 20 O -1.1411067 0.3034241 0.2586270 -0.0652976 -1.9769919 -0.8204814 -0.0559579 -0.6178534 -1.7778309 21 O -2.9498368 -0.1094850 0.0649777 -0.2758678 -1.3563007 0.3478039 0.6829682 0.3401731 -1.4492711 22 O -2.9498368 0.1094850 0.0649777 0.2758678 -1.3563007 -0.3478039 0.6829682 -0.3401731 -1.4492711 23 O -2.9498368 -0.1094850 0.0649777 -0.2758678 -1.3563007 0.3478039 0.6829682 0.3401731 -1.4492711 24 O -2.9498368 0.1094850 0.0649777 0.2758678 -1.3563007 -0.3478039 0.6829682 -0.3401731 -1.4492711 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 10 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 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 1.917 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.181 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 17.894 ( 0.000 0.000 0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.352 ( 0.000 0.000 0.000) 0.000 18.486 ( 0.000 0.000 0.000) 0.000 18.778 ( 0.000 0.000 0.000) 0.000 19.041 ( 0.000 0.000 0.000) 0.000 19.592 ( 0.000 0.000 0.000) 0.000 19.646 ( 0.000 0.000 0.000) 0.000 20.454 ( 0.000 0.000 0.000) 0.000 20.597 ( 0.000 0.000 0.000) 0.000 21.172 ( 0.000 0.000 0.000) 0.000 21.220 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 24.773 0.000 0.767) 24.785 0.541 ( 26.125 0.000 -0.884) 26.140 0.808 ( 39.215 0.000 -11.946) 40.994 1.945 ( 2.606 0.000 0.010) 2.606 2.055 ( 1.876 0.000 -1.818) 2.613 2.249 ( 0.036 0.000 0.860) 0.861 2.473 ( -1.852 0.000 -6.562) 6.819 2.596 ( -2.305 0.000 7.334) 7.688 2.730 ( 2.729 0.000 -2.722) 3.854 3.073 ( 0.041 0.000 -2.158) 2.158 3.103 ( 1.827 0.000 -0.363) 1.863 3.453 ( -3.707 0.000 5.335) 6.496 3.508 ( 4.589 0.000 3.305) 5.655 3.579 ( 0.808 0.000 0.644) 1.033 3.898 ( 1.402 0.000 0.272) 1.428 4.274 ( -3.941 0.000 -0.110) 3.942 4.453 ( -11.780 0.000 -0.081) 11.781 4.662 ( -4.053 0.000 1.996) 4.518 4.812 ( 6.568 0.000 1.718) 6.789 4.856 ( -4.922 0.000 -2.282) 5.426 4.941 ( 5.217 0.000 1.022) 5.316 4.945 ( 2.099 0.000 3.928) 4.453 5.044 ( 4.054 0.000 -2.741) 4.894 5.161 ( -0.498 0.000 -2.013) 2.074 5.248 ( -3.355 0.000 1.608) 3.721 5.290 ( -2.695 0.000 2.823) 3.903 5.425 ( 2.510 0.000 -9.976) 10.286 5.552 ( -1.184 0.000 3.220) 3.431 5.635 ( -12.954 0.000 -0.691) 12.973 5.668 ( 6.697 0.000 -8.004) 10.436 5.810 ( -0.941 0.000 1.909) 2.128 5.883 ( 3.826 0.000 2.584) 4.617 5.911 ( -1.729 0.000 0.765) 1.891 6.045 ( 1.480 0.000 1.175) 1.890 6.129 ( 2.896 0.000 4.809) 5.614 6.351 ( -0.348 0.000 2.216) 2.243 6.362 ( 0.539 0.000 2.040) 2.110 6.547 ( -7.847 0.000 -2.595) 8.264 6.571 ( -6.141 0.000 12.315) 13.761 6.724 ( -3.335 0.000 -4.808) 5.851 7.099 ( 0.647 0.000 1.011) 1.201 7.125 ( 0.416 0.000 -0.208) 0.465 7.322 ( -2.013 0.000 -1.905) 2.771 7.420 ( -0.332 0.000 4.299) 4.312 7.444 ( -0.433 0.000 -17.616) 17.622 7.596 ( -7.145 0.000 -17.286) 18.704 7.721 ( -1.976 0.000 1.189) 2.306 7.879 ( 3.533 0.000 -0.374) 3.553 9.496 ( 2.007 0.000 0.914) 2.206 9.549 ( 0.792 0.000 -16.343) 16.362 9.660 ( -3.447 0.000 3.097) 4.634 9.698 ( 3.496 0.000 0.495) 3.531 10.204 ( 2.396 0.000 -0.500) 2.448 10.292 ( 4.132 0.000 0.389) 4.151 10.370 ( 3.809 0.000 21.559) 21.892 10.481 ( -1.356 0.000 -6.741) 6.877 10.707 ( 7.253 0.000 3.385) 8.004 10.782 ( -2.096 0.000 32.559) 32.626 11.270 ( 3.597 0.000 0.647) 3.655 11.549 ( 1.923 0.000 -1.162) 2.247 18.049 ( 5.733 0.000 1.394) 5.900 18.437 ( 7.927 0.000 0.732) 7.961 18.575 ( 8.462 0.000 0.053) 8.463 18.779 ( 0.279 0.000 -5.765) 5.772 18.880 ( 3.168 0.000 -61.396) 61.477 19.044 ( 0.202 0.000 0.887) 0.910 19.652 ( 0.931 0.000 -3.891) 4.000 20.431 ( -2.145 0.000 0.198) 2.154 20.605 ( 0.824 0.000 -0.142) 0.836 21.070 ( 0.874 0.000 -37.104) 37.114 21.169 ( -0.244 0.000 0.942) 0.973 21.206 ( -2.530 0.000 18.327) 18.501 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 23.711 0.000 1.846) 23.783 1.052 ( 23.867 0.000 -0.266) 23.869 1.561 ( 34.664 0.000 -11.167) 36.418 2.019 ( 4.632 0.000 0.359) 4.646 2.120 ( 4.648 0.000 -2.473) 5.265 2.268 ( 2.068 0.000 0.336) 2.095 2.414 ( -2.602 0.000 -6.405) 6.913 2.575 ( -0.257 0.000 5.933) 5.938 2.782 ( 2.005 0.000 -4.308) 4.752 3.076 ( 0.502 0.000 -1.956) 2.020 3.118 ( -1.429 0.000 2.486) 2.867 3.390 ( -1.595 0.000 6.305) 6.504 3.590 ( 0.746 0.000 1.669) 1.829 3.621 ( 4.675 0.000 2.981) 5.544 3.938 ( 2.380 0.000 0.177) 2.386 4.221 ( -1.064 0.000 0.292) 1.103 4.236 ( -9.202 0.000 -1.168) 9.276 4.555 ( -4.777 0.000 -2.202) 5.260 4.716 ( -7.546 0.000 -2.354) 7.904 4.856 ( -10.637 0.000 0.939) 10.678 4.888 ( 0.323 0.000 0.544) 0.633 5.050 ( 2.726 0.000 0.549) 2.781 5.140 ( 12.370 0.000 -0.881) 12.401 5.204 ( -6.484 0.000 3.412) 7.327 5.222 ( 1.961 0.000 0.476) 2.018 5.289 ( -12.088 0.000 -5.356) 13.221 5.305 ( 5.169 0.000 0.185) 5.172 5.538 ( 1.482 0.000 -3.631) 3.922 5.563 ( 3.944 0.000 -2.020) 4.431 5.761 ( 1.837 0.000 -3.882) 4.295 5.785 ( -1.691 0.000 3.603) 3.980 5.882 ( -0.766 0.000 0.016) 0.767 5.914 ( -1.268 0.000 4.179) 4.367 6.078 ( -7.392 0.000 4.504) 8.656 6.116 ( 5.004 0.000 1.319) 5.175 6.323 ( -7.431 0.000 0.511) 7.448 6.380 ( -2.092 0.000 6.316) 6.653 6.397 ( -0.709 0.000 -1.426) 1.592 6.439 ( -4.340 0.000 -0.645) 4.388 6.613 ( -6.446 0.000 -7.632) 9.989 7.112 ( 0.427 0.000 0.737) 0.852 7.122 ( -0.913 0.000 -1.415) 1.684 7.301 ( -0.786 0.000 1.136) 1.381 7.390 ( -1.611 0.000 4.205) 4.503 7.409 ( -2.952 0.000 -1.662) 3.388 7.449 ( -5.051 0.000 -10.590) 11.733 7.686 ( -1.155 0.000 1.171) 1.645 7.946 ( 3.032 0.000 0.164) 3.036 9.529 ( 0.406 0.000 2.216) 2.253 9.567 ( 1.724 0.000 -8.534) 8.707 9.624 ( 0.531 0.000 2.340) 2.400 9.786 ( 4.616 0.000 1.682) 4.913 10.260 ( 2.812 0.000 -0.668) 2.891 10.378 ( 3.829 0.000 1.872) 4.262 10.474 ( 1.294 0.000 -6.753) 6.876 10.482 ( 5.505 0.000 11.817) 13.036 10.764 ( -0.574 0.000 8.745) 8.764 10.866 ( 7.601 0.000 1.330) 7.716 11.358 ( 4.665 0.000 0.417) 4.684 11.594 ( 2.298 0.000 -1.497) 2.742 18.184 ( 6.578 0.000 1.994) 6.874 18.642 ( 10.986 0.000 -0.290) 10.990 18.782 ( 0.429 0.000 -7.284) 7.296 18.804 ( 12.933 0.000 0.313) 12.936 18.925 ( 3.929 0.000 -21.513) 21.869 19.050 ( 0.622 0.000 1.180) 1.334 19.688 ( 2.967 0.000 -6.031) 6.722 20.379 ( -2.588 0.000 -0.104) 2.590 20.627 ( 1.275 0.000 -0.147) 1.283 21.018 ( -4.553 0.000 -15.039) 15.713 21.171 ( 0.610 0.000 1.452) 1.574 21.195 ( 0.990 0.000 5.800) 5.884 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 20.742 0.000 2.754) 20.924 1.499 ( 19.574 0.000 0.382) 19.578 2.071 ( 8.370 0.000 -5.954) 10.271 2.228 ( 22.387 0.000 -2.926) 22.578 2.231 ( 5.961 0.000 -0.933) 6.033 2.346 ( 5.857 0.000 -1.844) 6.140 2.390 ( 0.892 0.000 -4.601) 4.686 2.579 ( 0.003 0.000 3.032) 3.032 2.789 ( -1.155 0.000 -3.816) 3.987 3.041 ( -5.771 0.000 6.120) 8.412 3.101 ( 2.448 0.000 -1.476) 2.859 3.406 ( 2.196 0.000 2.786) 3.547 3.577 ( -2.094 0.000 1.176) 2.402 3.693 ( 1.320 0.000 3.902) 4.119 3.979 ( 0.808 0.000 -0.388) 0.897 4.080 ( -5.884 0.000 -1.496) 6.071 4.229 ( 1.673 0.000 1.098) 2.001 4.491 ( -1.097 0.000 -2.676) 2.892 4.566 ( -6.878 0.000 -2.724) 7.398 4.645 ( -8.912 0.000 1.656) 9.064 4.865 ( -3.160 0.000 -1.294) 3.415 4.980 ( -10.016 0.000 -1.942) 10.202 5.106 ( 1.930 0.000 -1.725) 2.588 5.120 ( -5.926 0.000 -2.213) 6.325 5.252 ( -0.147 0.000 0.323) 0.355 5.345 ( 1.534 0.000 6.491) 6.669 5.397 ( 10.489 0.000 1.370) 10.578 5.629 ( 5.765 0.000 -10.758) 12.205 5.643 ( 2.780 0.000 -2.258) 3.582 5.741 ( -2.962 0.000 4.107) 5.064 5.756 ( -1.519 0.000 -0.603) 1.634 5.854 ( -3.701 0.000 1.745) 4.092 5.871 ( -5.121 0.000 4.188) 6.615 5.902 ( -3.483 0.000 1.920) 3.977 6.093 ( -8.341 0.000 2.931) 8.841 6.262 ( -6.085 0.000 0.983) 6.164 6.267 ( 4.300 0.000 -1.327) 4.500 6.402 ( -3.133 0.000 3.851) 4.965 6.418 ( -0.920 0.000 0.522) 1.058 6.517 ( 0.186 0.000 -8.892) 8.894 7.096 ( -1.109 0.000 -1.533) 1.892 7.116 ( 0.089 0.000 -0.673) 0.679 7.240 ( -4.489 0.000 3.782) 5.870 7.338 ( -2.430 0.000 -1.263) 2.738 7.382 ( -2.634 0.000 -2.128) 3.386 7.421 ( 3.652 0.000 1.696) 4.027 7.673 ( -0.390 0.000 0.467) 0.609 8.003 ( 2.515 0.000 -0.098) 2.517 9.527 ( -0.158 0.000 2.035) 2.041 9.606 ( 2.382 0.000 -5.827) 6.295 9.662 ( 2.195 0.000 1.344) 2.573 9.874 ( 3.618 0.000 2.630) 4.473 10.308 ( 1.854 0.000 -0.998) 2.106 10.443 ( 2.618 0.000 0.422) 2.651 10.520 ( 2.975 0.000 -3.489) 4.585 10.582 ( 3.336 0.000 9.335) 9.913 10.779 ( 1.841 0.000 -0.273) 1.861 11.002 ( 5.513 0.000 0.050) 5.513 11.448 ( 3.895 0.000 0.155) 3.898 11.632 ( 1.415 0.000 -1.059) 1.768 18.294 ( 3.881 0.000 1.679) 4.229 18.781 ( 0.738 0.000 -10.669) 10.695 18.834 ( 6.017 0.000 0.854) 6.078 18.976 ( 1.505 0.000 0.874) 1.740 19.029 ( 7.105 0.000 -4.760) 8.552 19.158 ( 11.552 0.000 0.278) 11.555 19.759 ( 3.904 0.000 -5.352) 6.624 20.336 ( -1.435 0.000 -0.632) 1.568 20.653 ( 1.187 0.000 -0.032) 1.187 20.899 ( -5.833 0.000 -6.229) 8.533 21.200 ( 2.131 0.000 1.279) 2.486 21.231 ( 1.949 0.000 0.874) 2.136 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 11.775 0.000 0.570) 11.789 1.826 ( 13.943 0.000 2.463) 14.159 2.166 ( 3.048 0.000 -2.068) 3.684 2.348 ( 5.140 0.000 0.505) 5.164 2.430 ( 3.203 0.000 -4.137) 5.233 2.497 ( 8.720 0.000 -3.286) 9.319 2.556 ( -0.557 0.000 2.905) 2.958 2.621 ( 11.044 0.000 -2.897) 11.417 2.744 ( -2.492 0.000 -1.906) 3.138 2.898 ( -8.647 0.000 4.931) 9.954 3.192 ( 6.505 0.000 -2.764) 7.068 3.459 ( 2.486 0.000 0.948) 2.660 3.519 ( -2.707 0.000 0.943) 2.866 3.662 ( -4.568 0.000 3.673) 5.862 3.939 ( -3.215 0.000 -2.009) 3.791 4.010 ( -2.108 0.000 0.729) 2.231 4.282 ( 3.145 0.000 1.653) 3.553 4.446 ( -4.298 0.000 -1.575) 4.578 4.490 ( -0.078 0.000 -2.226) 2.227 4.524 ( -3.072 0.000 0.890) 3.199 4.730 ( -6.194 0.000 -0.855) 6.253 4.888 ( -2.128 0.000 -2.138) 3.017 5.062 ( 1.967 0.000 -2.541) 3.213 5.114 ( -0.718 0.000 -1.524) 1.685 5.216 ( -2.087 0.000 -0.655) 2.188 5.440 ( 6.367 0.000 8.770) 10.838 5.463 ( -10.191 0.000 1.047) 10.245 5.588 ( 1.021 0.000 2.593) 2.787 5.689 ( 0.600 0.000 -11.058) 11.074 5.696 ( -3.882 0.000 -2.076) 4.403 5.765 ( 1.091 0.000 3.967) 4.115 5.797 ( 2.184 0.000 2.508) 3.326 5.798 ( -2.787 0.000 1.371) 3.106 5.906 ( 0.088 0.000 -2.378) 2.379 5.985 ( -0.886 0.000 3.966) 4.064 6.170 ( -2.747 0.000 -0.840) 2.873 6.248 ( -5.074 0.000 -4.100) 6.524 6.388 ( -1.717 0.000 0.943) 1.959 6.394 ( 2.475 0.000 6.000) 6.490 6.558 ( 2.386 0.000 -4.960) 5.504 7.085 ( 0.226 0.000 -1.197) 1.218 7.123 ( 0.626 0.000 -1.274) 1.419 7.158 ( -3.476 0.000 2.580) 4.329 7.312 ( -0.390 0.000 -1.285) 1.343 7.328 ( -2.433 0.000 1.338) 2.777 7.502 ( 3.687 0.000 1.125) 3.854 7.662 ( -0.817 0.000 -0.142) 0.829 8.044 ( 1.460 0.000 -0.163) 1.469 9.529 ( 0.142 0.000 0.974) 0.985 9.649 ( 1.884 0.000 -3.381) 3.870 9.699 ( 1.225 0.000 0.732) 1.427 9.928 ( 1.532 0.000 2.327) 2.786 10.335 ( 0.912 0.000 -1.027) 1.373 10.489 ( 1.792 0.000 -0.553) 1.876 10.571 ( 1.909 0.000 -0.909) 2.114 10.629 ( 1.057 0.000 5.013) 5.123 10.824 ( 2.099 0.000 -1.398) 2.522 11.087 ( 2.813 0.000 -0.292) 2.828 11.511 ( 2.171 0.000 0.053) 2.172 11.650 ( 0.449 0.000 -0.438) 0.627 18.346 ( 1.323 0.000 0.920) 1.611 18.784 ( 0.207 0.000 -5.140) 5.144 18.913 ( 2.288 0.000 -1.348) 2.656 18.975 ( -0.498 0.000 0.321) 0.592 19.166 ( 5.344 0.000 0.443) 5.363 19.381 ( 8.484 0.000 0.128) 8.485 19.823 ( 2.352 0.000 -2.868) 3.709 20.320 ( -0.276 0.000 -0.688) 0.741 20.673 ( 0.731 0.000 0.024) 0.731 20.795 ( -3.654 0.000 -2.705) 4.546 21.249 ( 2.170 0.000 0.668) 2.271 21.265 ( 1.217 0.000 0.138) 1.225 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 -0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.515 ( -0.000 0.000 0.000) 0.000 2.662 ( -0.000 0.000 -0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 -0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 -0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 -0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 -0.000) 0.000 5.222 ( -0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 -0.000) 0.000 5.616 ( 0.000 0.000 -0.000) 0.000 5.688 ( 0.000 0.000 -0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 -0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 -0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 -0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 -0.000) 0.000 7.102 ( 0.000 0.000 -0.000) 0.000 7.108 ( -0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 -0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 -0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 -0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 -0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.640 ( 0.000 0.000 -0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 -0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.654 ( 0.000 0.000 0.000) 0.000 18.358 ( 0.000 0.000 -0.000) 0.000 18.785 ( 0.000 0.000 -0.000) 0.000 18.935 ( 0.000 0.000 0.000) 0.000 18.969 ( 0.000 0.000 0.000) 0.000 19.223 ( 0.000 0.000 -0.000) 0.000 19.471 ( 0.000 0.000 0.000) 0.000 19.846 ( 0.000 0.000 0.000) 0.000 20.318 ( 0.000 0.000 0.000) 0.000 20.681 ( 0.000 0.000 0.000) 0.000 20.756 ( 0.000 0.000 0.000) 0.000 21.274 ( 0.000 0.000 0.000) 0.000 21.278 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 21.265 0.000) 21.265 0.530 ( 0.000 27.125 0.000) 27.125 0.854 ( 0.000 41.924 0.000) 41.924 1.679 ( 0.000 -17.776 0.000) 17.776 2.010 ( 0.000 -17.696 0.000) 17.696 2.267 ( 0.000 12.125 0.000) 12.125 2.531 ( 0.000 -10.024 0.000) 10.024 2.575 ( 0.000 6.312 0.000) 6.312 2.712 ( 0.000 0.703 0.000) 0.703 3.083 ( 0.000 -1.282 0.000) 1.282 3.174 ( 0.000 7.771 0.000) 7.771 3.366 ( 0.000 -5.992 0.000) 5.992 3.504 ( 0.000 -0.391 0.000) 0.391 3.548 ( 0.000 -2.232 0.000) 2.232 4.161 ( 0.000 1.261 0.000) 1.261 4.384 ( 0.000 4.232 0.000) 4.232 4.390 ( 0.000 -10.002 0.000) 10.002 4.605 ( 0.000 -2.921 0.000) 2.921 4.872 ( 0.000 1.368 0.000) 1.368 4.904 ( 0.000 6.424 0.000) 6.424 4.909 ( 0.000 4.563 0.000) 4.563 4.970 ( 0.000 0.351 0.000) 0.351 4.999 ( 0.000 6.667 0.000) 6.667 5.186 ( 0.000 -1.048 0.000) 1.048 5.220 ( 0.000 2.633 0.000) 2.633 5.312 ( 0.000 -3.067 0.000) 3.067 5.372 ( 0.000 3.779 0.000) 3.779 5.534 ( 0.000 -1.558 0.000) 1.558 5.645 ( 0.000 -7.939 0.000) 7.939 5.749 ( 0.000 -7.897 0.000) 7.897 5.768 ( 0.000 -0.941 0.000) 0.941 5.923 ( 0.000 -1.112 0.000) 1.112 5.966 ( 0.000 2.716 0.000) 2.716 6.011 ( 0.000 7.408 0.000) 7.408 6.089 ( 0.000 4.348 0.000) 4.348 6.342 ( 0.000 -2.145 0.000) 2.145 6.487 ( 0.000 -0.591 0.000) 0.591 6.504 ( 0.000 -3.410 0.000) 3.410 6.617 ( 0.000 -1.606 0.000) 1.606 6.622 ( 0.000 -8.887 0.000) 8.887 7.104 ( 0.000 5.035 0.000) 5.035 7.112 ( 0.000 1.907 0.000) 1.907 7.350 ( 0.000 1.544 0.000) 1.544 7.369 ( 0.000 0.801 0.000) 0.801 7.461 ( 0.000 -0.974 0.000) 0.974 7.515 ( 0.000 -1.743 0.000) 1.743 7.739 ( 0.000 -0.069 0.000) 0.069 7.816 ( 0.000 -0.702 0.000) 0.702 9.519 ( 0.000 5.353 0.000) 5.353 9.665 ( 0.000 0.571 0.000) 0.571 9.707 ( 0.000 -0.023 0.000) 0.023 9.940 ( 0.000 -4.880 0.000) 4.880 10.200 ( 0.000 1.779 0.000) 1.779 10.212 ( 0.000 2.612 0.000) 2.612 10.474 ( 0.000 -1.197 0.000) 1.197 10.497 ( 0.000 -0.884 0.000) 0.884 10.542 ( 0.000 2.581 0.000) 2.581 10.882 ( 0.000 -5.956 0.000) 5.956 11.277 ( 0.000 4.089 0.000) 4.089 11.506 ( 0.000 -2.172 0.000) 2.172 17.914 ( 0.000 2.109 0.000) 2.109 18.172 ( 0.000 -4.817 0.000) 4.817 18.370 ( 0.000 1.617 0.000) 1.617 18.476 ( 0.000 -0.991 0.000) 0.991 18.850 ( 0.000 6.754 0.000) 6.754 19.416 ( 0.000 -10.334 0.000) 10.334 19.813 ( 0.000 9.551 0.000) 9.551 20.336 ( 0.000 -7.980 0.000) 7.980 20.653 ( 0.000 7.016 0.000) 7.016 21.064 ( 0.000 -6.782 0.000) 6.782 21.313 ( 0.000 5.173 0.000) 5.173 21.505 ( 0.000 -1.304 0.000) 1.304 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 14.540 15.182 1.700) 21.091 0.674 ( 19.835 12.821 -12.633) 26.784 1.223 ( 27.006 30.724 -1.639) 40.939 1.716 ( 3.742 -16.809 -1.876) 17.322 1.978 ( -2.032 -18.793 0.002) 18.902 2.268 ( 0.674 12.445 0.086) 12.463 2.544 ( 0.990 0.866 -6.189) 6.328 2.601 ( 1.974 0.624 4.523) 4.975 2.727 ( 1.738 0.051 -2.511) 3.055 3.030 ( -3.567 -1.679 2.883) 4.884 3.182 ( 1.443 5.688 -0.931) 5.942 3.403 ( 1.721 -5.172 2.903) 6.175 3.470 ( -1.344 -2.310 3.289) 4.238 3.544 ( -0.062 -2.710 0.539) 2.764 4.035 ( -3.949 7.375 0.280) 8.370 4.273 ( -4.490 -1.756 -0.101) 4.822 4.442 ( -5.006 0.868 -0.366) 5.094 4.632 ( 0.341 -2.455 0.348) 2.503 4.756 ( -1.030 -1.901 1.877) 2.863 4.825 ( -4.470 -0.411 -0.861) 4.571 4.962 ( -0.606 -2.033 -2.056) 2.954 5.010 ( 3.349 6.069 1.933) 7.196 5.092 ( -7.734 -1.602 3.376) 8.589 5.178 ( 0.144 2.033 -2.685) 3.371 5.245 ( 9.941 5.537 -1.180) 11.439 5.301 ( 3.163 -3.386 -2.130) 5.099 5.341 ( -2.258 4.415 1.344) 5.138 5.554 ( -5.812 -5.836 -0.500) 8.251 5.622 ( 4.284 -1.792 -3.859) 6.038 5.780 ( -4.083 3.335 3.296) 6.217 5.795 ( -2.128 2.315 -4.161) 5.216 5.896 ( 3.439 -1.418 1.757) 4.114 5.934 ( 3.020 -1.608 -0.029) 3.421 6.011 ( -1.149 2.821 1.253) 3.294 6.133 ( 2.981 2.255 0.228) 3.744 6.277 ( -5.570 -3.131 2.821) 6.985 6.424 ( -0.706 0.855 1.488) 1.856 6.502 ( -3.391 -4.687 -3.490) 6.756 6.548 ( -5.974 -1.122 1.344) 6.225 6.739 ( 2.421 -3.734 6.208) 7.638 7.037 ( -0.994 -1.392 -3.364) 3.774 7.110 ( -1.371 0.616 -0.266) 1.527 7.319 ( -1.871 -0.168 -2.752) 3.332 7.380 ( -2.433 -3.074 -10.091) 10.826 7.443 ( 2.481 1.379 2.401) 3.718 7.583 ( -1.471 -0.073 -3.372) 3.679 7.708 ( -2.542 -1.069 0.888) 2.897 7.804 ( 1.590 -3.179 -0.092) 3.556 9.462 ( -3.385 2.521 3.532) 5.503 9.619 ( -5.242 -0.823 3.457) 6.333 9.720 ( 3.760 2.590 -1.289) 4.744 9.903 ( -1.826 9.927 -14.085) 17.328 10.155 ( 0.285 -0.477 -4.723) 4.756 10.304 ( 5.515 -0.625 3.246) 6.430 10.399 ( 0.608 3.302 4.022) 5.239 10.497 ( 0.402 0.430 -2.413) 2.484 10.688 ( 7.524 -1.208 5.784) 9.566 10.798 ( -4.170 -0.757 21.302) 21.720 11.310 ( 3.004 3.614 0.708) 4.753 11.529 ( 1.937 -2.102 -0.871) 2.988 18.024 ( 7.162 -0.700 -0.349) 7.204 18.361 ( 11.429 -13.881 -7.663) 19.546 18.467 ( 8.651 0.279 -3.055) 9.179 18.580 ( 9.694 -1.642 -0.925) 9.875 18.879 ( 2.899 6.166 -5.909) 9.019 19.319 ( -6.790 -0.614 -9.655) 11.819 19.772 ( -1.519 11.374 -4.607) 12.365 20.333 ( -0.541 -7.545 -0.355) 7.573 20.672 ( 0.872 5.495 -0.807) 5.622 21.036 ( -2.500 -5.653 -8.403) 10.431 21.274 ( -3.760 5.410 -6.709) 9.403 21.288 ( -8.201 6.993 4.000) 11.496 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 21.370 3.452 4.799) 22.173 1.121 ( 23.058 5.448 -10.472) 25.904 1.782 ( 23.530 14.798 -5.046) 28.251 1.834 ( 9.574 -12.305 -1.234) 15.640 1.975 ( 3.580 -14.695 -1.488) 15.197 2.303 ( 2.685 10.888 -0.627) 11.232 2.562 ( 1.117 7.049 -5.122) 8.785 2.629 ( 0.525 3.341 4.871) 5.930 2.771 ( 1.958 -1.221 -4.240) 4.827 2.985 ( -0.993 -5.003 0.543) 5.129 3.197 ( -1.001 4.298 2.379) 5.014 3.373 ( -1.401 -1.590 6.222) 6.573 3.532 ( 2.862 -6.589 1.569) 7.354 3.559 ( 2.859 -3.510 2.254) 5.057 4.011 ( 0.147 5.017 -0.445) 5.039 4.190 ( -4.776 -2.222 -0.838) 5.334 4.301 ( -5.002 5.669 0.150) 7.562 4.582 ( -3.336 2.569 -2.479) 4.886 4.693 ( -7.106 -1.840 -2.622) 7.795 4.810 ( -1.072 -5.119 1.507) 5.443 4.845 ( -9.068 -3.889 3.945) 10.626 5.016 ( 3.681 -8.616 -2.664) 9.740 5.080 ( 1.438 4.373 -2.498) 5.238 5.187 ( 0.921 1.033 1.954) 2.394 5.276 ( -3.852 2.821 -1.062) 4.891 5.306 ( -1.083 1.878 3.237) 3.896 5.397 ( -3.260 2.668 -0.496) 4.242 5.520 ( 8.774 2.220 -4.944) 10.313 5.650 ( -1.443 4.257 -1.300) 4.679 5.713 ( 0.765 -2.831 -1.594) 3.337 5.797 ( -1.351 -0.242 0.423) 1.436 5.864 ( -2.515 0.808 1.303) 2.945 5.979 ( -1.047 4.448 2.153) 5.051 6.033 ( -2.307 -3.221 2.810) 4.858 6.158 ( 0.638 0.945 -1.047) 1.548 6.220 ( 1.791 -5.934 3.171) 6.963 6.346 ( -6.673 0.087 -4.095) 7.829 6.398 ( -5.189 -2.462 -1.769) 6.010 6.487 ( -0.044 2.095 3.393) 3.988 6.681 ( -5.800 5.322 -0.187) 7.874 7.040 ( -1.952 -4.279 -3.200) 5.688 7.110 ( 3.335 -3.849 3.070) 5.946 7.281 ( -1.739 -1.508 -1.231) 2.610 7.327 ( -3.886 -2.782 -2.841) 5.560 7.432 ( -3.019 1.411 0.646) 3.394 7.498 ( -3.457 2.416 -3.316) 5.365 7.669 ( -0.567 -0.833 0.853) 1.320 7.872 ( 3.675 -5.554 0.170) 6.662 9.429 ( -0.252 -2.176 2.079) 3.020 9.539 ( -2.738 -1.778 3.777) 4.992 9.796 ( 3.459 3.879 -1.492) 5.407 9.905 ( 2.529 12.904 -7.168) 14.976 10.180 ( 1.524 -4.480 -0.463) 4.755 10.408 ( 4.241 -1.957 -4.324) 6.365 10.462 ( 4.200 4.108 3.493) 6.835 10.537 ( 3.634 2.152 3.673) 5.597 10.760 ( -0.438 -0.467 8.085) 8.110 10.842 ( 6.855 -2.195 3.548) 8.025 11.386 ( 4.113 2.622 0.179) 4.881 11.574 ( 2.331 -2.015 -1.260) 3.329 18.173 ( 6.833 -0.315 1.511) 7.005 18.540 ( 6.173 -13.712 -1.846) 15.150 18.672 ( 11.268 2.273 -1.619) 11.609 18.822 ( 13.507 -1.103 -0.419) 13.558 18.950 ( 4.228 4.688 -8.103) 10.272 19.198 ( -4.176 4.514 -8.402) 10.412 19.772 ( 1.623 8.565 -5.371) 10.239 20.312 ( -1.346 -6.042 -0.739) 6.234 20.675 ( -0.293 4.031 -0.385) 4.060 20.964 ( -4.063 -4.561 -8.986) 10.866 21.212 ( -0.552 3.084 -1.758) 3.592 21.223 ( -1.088 2.266 3.789) 4.547 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 19.894 0.002 5.759) 20.711 1.560 ( 19.829 3.401 -7.099) 21.334 1.987 ( 8.251 -11.380 -2.065) 14.207 2.038 ( 7.409 -12.560 -2.255) 14.756 2.305 ( 15.740 11.287 -4.378) 19.857 2.385 ( 8.083 6.547 -0.728) 10.427 2.586 ( 1.745 9.184 -3.362) 9.934 2.637 ( 0.011 4.549 3.239) 5.585 2.776 ( -1.123 -1.087 -3.537) 3.867 2.973 ( -1.067 -4.401 1.278) 4.705 3.159 ( -1.352 3.416 3.641) 5.172 3.388 ( 1.632 -2.060 3.775) 4.599 3.541 ( -0.612 -3.156 1.635) 3.606 3.644 ( 3.103 -3.864 2.751) 5.668 4.001 ( -1.600 1.536 -1.347) 2.595 4.070 ( -5.604 -0.934 -1.474) 5.870 4.272 ( 0.758 4.150 1.025) 4.342 4.533 ( -2.386 3.332 -1.601) 4.400 4.546 ( -5.962 -1.152 -3.850) 7.190 4.626 ( -7.876 -1.665 2.146) 8.331 4.795 ( -3.994 -6.345 0.249) 7.501 4.972 ( -4.668 -2.154 -2.010) 5.520 5.079 ( -3.291 1.894 -1.913) 4.252 5.197 ( -1.374 3.546 -1.171) 3.979 5.265 ( -1.560 -0.649 -1.266) 2.111 5.308 ( 6.874 -0.572 4.738) 8.368 5.394 ( 3.506 -0.258 3.401) 4.891 5.600 ( -1.239 -1.978 -4.720) 5.265 5.652 ( 0.530 -0.356 -3.391) 3.450 5.703 ( -3.063 -2.181 0.347) 3.776 5.765 ( -1.735 -0.854 1.897) 2.709 5.798 ( -3.771 -1.755 -0.688) 4.216 5.918 ( -3.956 3.904 4.263) 7.005 6.000 ( 3.012 6.159 0.600) 6.882 6.123 ( -5.109 2.854 2.127) 6.226 6.227 ( -2.327 -3.352 -1.199) 4.253 6.288 ( -0.057 -1.206 -5.762) 5.887 6.336 ( -0.197 0.146 -0.707) 0.748 6.487 ( -0.703 3.523 6.723) 7.622 6.582 ( -2.240 5.585 -3.937) 7.191 6.994 ( -1.447 -5.117 -2.411) 5.839 7.175 ( 0.080 1.076 2.391) 2.623 7.218 ( -4.216 -1.326 2.937) 5.306 7.243 ( -1.517 -8.633 -0.722) 8.795 7.379 ( -1.835 1.945 -2.262) 3.502 7.470 ( 0.551 0.577 -0.123) 0.807 7.678 ( 0.921 1.374 0.314) 1.684 7.939 ( 2.804 -5.536 -0.291) 6.212 9.438 ( 0.757 -5.222 0.936) 5.359 9.507 ( -0.817 -2.399 2.709) 3.710 9.860 ( 2.982 4.356 -1.861) 5.597 9.968 ( 3.136 12.511 -2.359) 13.112 10.203 ( 0.748 -6.691 0.151) 6.735 10.482 ( 3.663 -1.207 -7.785) 8.688 10.545 ( 3.409 4.870 4.726) 7.594 10.617 ( 2.923 2.299 7.385) 8.269 10.782 ( 2.309 0.478 -0.069) 2.359 10.967 ( 5.035 -3.396 1.037) 6.161 11.466 ( 3.517 1.747 -0.067) 3.927 11.614 ( 1.519 -1.827 -0.878) 2.533 18.287 ( 4.104 -0.141 1.657) 4.428 18.620 ( 2.313 -11.225 0.080) 11.461 18.881 ( 7.746 4.745 -3.768) 9.835 19.032 ( 5.119 3.014 -2.916) 6.617 19.093 ( 7.478 2.278 -3.276) 8.476 19.158 ( 4.709 0.896 -2.065) 5.220 19.820 ( 3.006 6.141 -4.530) 8.201 20.285 ( -1.066 -4.989 -0.951) 5.190 20.671 ( 0.092 1.761 -0.317) 1.791 20.862 ( -5.019 -3.306 -5.118) 7.893 21.220 ( 1.572 1.653 0.750) 2.401 21.242 ( 1.713 0.917 0.521) 2.011 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 14.106 -0.515 5.170) 15.032 1.883 ( 11.129 2.686 -4.428) 12.276 2.143 ( 6.404 -7.932 -1.310) 10.278 2.208 ( 9.107 -6.446 -1.739) 11.292 2.416 ( 1.985 2.863 -2.441) 4.254 2.587 ( 3.940 5.368 0.865) 6.715 2.629 ( -0.065 4.046 -0.797) 4.125 2.660 ( 4.193 4.321 -1.426) 6.188 2.740 ( -1.823 -0.404 -0.789) 2.027 2.923 ( -3.074 1.670 1.773) 3.921 3.189 ( 4.054 -0.298 -0.866) 4.156 3.400 ( -1.695 -5.641 3.488) 6.845 3.535 ( 0.831 1.991 1.195) 2.466 3.666 ( -0.834 0.284 1.707) 1.921 3.937 ( -3.487 -0.216 -2.186) 4.121 3.992 ( -2.595 -1.592 0.182) 3.050 4.305 ( 2.199 2.165 1.178) 3.303 4.423 ( -4.253 -1.700 -1.788) 4.916 4.475 ( -3.328 -1.183 -0.729) 3.607 4.543 ( -2.890 0.092 0.050) 2.892 4.709 ( -2.307 -0.471 -0.695) 2.455 4.922 ( -0.682 -1.275 -1.292) 1.939 4.986 ( -3.872 0.845 -1.507) 4.240 5.182 ( -1.355 -0.647 -1.217) 1.933 5.222 ( -0.079 3.731 -0.549) 3.772 5.448 ( 5.369 0.292 8.651) 10.186 5.504 ( 0.793 1.123 -0.183) 1.387 5.526 ( -4.040 -2.094 2.339) 5.116 5.578 ( -1.084 -5.795 -5.272) 7.909 5.659 ( -0.773 -4.666 -0.233) 4.735 5.730 ( -2.939 0.867 -3.730) 4.827 5.768 ( 1.423 -3.929 3.325) 5.340 5.859 ( -3.096 3.350 -0.459) 4.585 6.002 ( -4.468 5.074 0.573) 6.785 6.107 ( 4.363 9.139 0.305) 10.131 6.188 ( -0.550 0.462 -1.962) 2.090 6.254 ( -2.604 1.562 -0.933) 3.177 6.323 ( -1.599 -0.514 -1.339) 2.148 6.481 ( 0.207 3.617 5.160) 6.305 6.588 ( 1.570 3.016 -2.930) 4.489 6.990 ( 1.113 -5.937 -1.688) 6.272 7.117 ( -2.639 -1.564 1.287) 3.327 7.132 ( -4.446 -3.916 0.150) 5.927 7.278 ( 2.348 -2.767 4.640) 5.890 7.349 ( -1.186 1.665 -3.545) 4.092 7.496 ( 1.465 -1.464 0.254) 2.087 7.695 ( 0.588 3.419 -0.001) 3.469 7.983 ( 1.555 -5.513 -0.297) 5.736 9.454 ( 0.606 -6.949 0.330) 6.983 9.501 ( -0.084 -2.731 1.326) 3.037 9.915 ( 2.406 2.805 -1.619) 4.035 10.009 ( 0.862 14.257 0.236) 14.285 10.215 ( 0.556 -8.177 -0.312) 8.201 10.545 ( 2.743 -1.074 -6.564) 7.195 10.599 ( 1.494 5.703 4.752) 7.572 10.656 ( 0.873 2.223 4.610) 5.192 10.836 ( 2.437 1.254 -1.344) 3.052 11.045 ( 2.613 -3.975 0.101) 4.758 11.523 ( 1.988 1.169 -0.085) 2.308 11.634 ( 0.532 -1.589 -0.318) 1.706 18.345 ( 1.672 0.265 1.072) 2.003 18.648 ( 0.676 -9.672 0.219) 9.698 18.968 ( 2.187 5.513 -4.509) 7.451 19.071 ( -0.546 5.375 -1.944) 5.742 19.179 ( 4.865 1.294 0.544) 5.064 19.357 ( 8.256 -2.482 0.159) 8.623 19.872 ( 2.035 4.838 -2.380) 5.763 20.271 ( -0.328 -4.794 -0.753) 4.863 20.677 ( 0.360 0.412 -0.284) 0.616 20.773 ( -3.120 -2.023 -2.255) 4.348 21.262 ( 1.971 1.132 0.483) 2.324 21.275 ( 1.270 0.833 0.069) 1.520 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 1.366 0.000) 1.366 1.982 ( -0.000 0.260 -0.000) 0.260 2.210 ( 0.000 -4.157 0.000) 4.157 2.362 ( 0.000 4.884 0.000) 4.884 2.397 ( 0.000 -11.060 0.000) 11.060 2.622 ( 0.000 7.242 0.000) 7.242 2.637 ( 0.000 -0.026 0.000) 0.026 2.670 ( 0.000 2.142 -0.000) 2.142 2.715 ( 0.000 -0.361 0.000) 0.361 2.897 ( 0.000 6.036 0.000) 6.036 3.262 ( 0.000 -2.213 -0.000) 2.213 3.354 ( 0.000 -8.568 0.000) 8.568 3.557 ( 0.000 3.426 0.000) 3.426 3.647 ( 0.000 4.291 0.000) 4.291 3.898 ( 0.000 -0.357 0.000) 0.357 3.960 ( 0.000 -1.861 0.000) 1.861 4.342 ( 0.000 1.303 -0.000) 1.303 4.378 ( 0.000 -1.603 0.000) 1.603 4.432 ( 0.000 -2.516 0.000) 2.516 4.500 ( 0.000 -1.620 0.000) 1.620 4.695 ( 0.000 2.431 0.000) 2.431 4.917 ( 0.000 -0.370 0.000) 0.370 4.948 ( 0.000 -2.188 0.000) 2.188 5.160 ( 0.000 -3.297 0.000) 3.297 5.256 ( 0.000 3.910 0.000) 3.910 5.381 ( 0.000 9.714 0.000) 9.714 5.527 ( -0.000 -6.875 -0.000) 6.875 5.532 ( 0.000 -1.927 0.000) 1.927 5.633 ( 0.000 0.513 0.000) 0.513 5.649 ( -0.000 2.651 -0.000) 2.651 5.665 ( 0.000 -6.245 0.000) 6.245 5.798 ( 0.000 -3.877 0.000) 3.877 5.816 ( 0.000 -3.459 -0.000) 3.459 5.942 ( 0.000 6.614 0.000) 6.614 6.164 ( 0.000 8.526 0.000) 8.526 6.202 ( 0.000 3.279 -0.000) 3.279 6.205 ( -0.000 5.748 0.000) 5.748 6.296 ( 0.000 -2.506 0.000) 2.506 6.489 ( 0.000 2.897 0.000) 2.897 6.606 ( 0.000 2.262 -0.000) 2.262 7.020 ( 0.000 -5.857 0.000) 5.857 7.066 ( 0.000 -5.335 0.000) 5.335 7.092 ( 0.000 -2.167 0.000) 2.167 7.318 ( 0.000 -0.847 0.000) 0.847 7.322 ( -0.000 1.782 -0.000) 1.782 7.514 ( 0.000 -2.715 0.000) 2.715 7.701 ( 0.000 4.405 0.000) 4.405 7.999 ( 0.000 -5.518 -0.000) 5.518 9.460 ( 0.000 -7.548 -0.000) 7.548 9.501 ( 0.000 -2.838 0.000) 2.838 9.943 ( 0.000 0.338 0.000) 0.338 10.013 ( 0.000 16.621 0.000) 16.621 10.222 ( 0.000 -8.426 0.000) 8.426 10.574 ( 0.000 -1.864 -0.000) 1.864 10.614 ( 0.000 6.722 0.000) 6.722 10.666 ( 0.000 2.222 -0.000) 2.222 10.862 ( 0.000 1.526 0.000) 1.526 11.072 ( 0.000 -4.121 -0.000) 4.121 11.544 ( 0.000 0.969 0.000) 0.969 11.638 ( 0.000 -1.486 0.000) 1.486 18.361 ( 0.000 0.561 0.000) 0.561 18.654 ( 0.000 -9.179 0.000) 9.179 18.989 ( 0.000 4.959 -0.000) 4.959 19.062 ( 0.000 5.445 0.000) 5.445 19.233 ( 0.000 1.212 -0.000) 1.212 19.444 ( 0.000 -2.773 0.000) 2.773 19.893 ( 0.000 4.518 0.000) 4.518 20.268 ( 0.000 -4.823 0.000) 4.823 20.681 ( 0.000 0.070 0.000) 0.070 20.740 ( 0.000 -1.479 0.000) 1.479 21.285 ( 0.000 0.946 0.000) 0.946 21.288 ( 0.000 0.909 0.000) 0.909 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 22.165 0.000) 22.165 1.058 ( 0.000 26.838 0.000) 26.838 1.258 ( 0.000 -19.734 0.000) 19.734 1.558 ( 0.000 -17.562 0.000) 17.562 1.658 ( 0.000 25.560 0.000) 25.560 2.213 ( 0.000 -22.937 0.000) 22.937 2.576 ( 0.000 18.015 0.000) 18.015 2.677 ( 0.000 3.571 0.000) 3.571 2.715 ( 0.000 -0.617 0.000) 0.617 2.920 ( 0.000 -15.315 0.000) 15.315 3.305 ( 0.000 4.598 0.000) 4.598 3.325 ( 0.000 1.343 0.000) 1.343 3.480 ( 0.000 -1.436 0.000) 1.436 3.492 ( 0.000 -2.795 0.000) 2.795 4.191 ( 0.000 1.823 0.000) 1.823 4.246 ( 0.000 -4.563 0.000) 4.563 4.473 ( 0.000 4.244 0.000) 4.244 4.545 ( 0.000 -3.246 0.000) 3.246 4.903 ( 0.000 1.677 0.000) 1.677 4.936 ( 0.000 -1.768 0.000) 1.768 5.026 ( 0.000 5.446 0.000) 5.446 5.035 ( 0.000 6.572 0.000) 6.572 5.122 ( 0.000 3.985 0.000) 3.985 5.162 ( 0.000 -0.888 0.000) 0.888 5.230 ( 0.000 -3.925 0.000) 3.925 5.275 ( 0.000 -2.417 0.000) 2.417 5.439 ( 0.000 0.545 0.000) 0.545 5.469 ( 0.000 5.272 0.000) 5.272 5.560 ( 0.000 -3.772 0.000) 3.772 5.577 ( 0.000 -9.120 0.000) 9.120 5.799 ( 0.000 3.703 0.000) 3.703 5.877 ( 0.000 -3.549 0.000) 3.549 6.043 ( 0.000 5.284 0.000) 5.284 6.120 ( 0.000 0.776 0.000) 0.776 6.170 ( 0.000 5.003 0.000) 5.003 6.276 ( 0.000 -4.693 0.000) 4.693 6.398 ( 0.000 -4.292 0.000) 4.292 6.416 ( 0.000 -4.385 0.000) 4.385 6.563 ( 0.000 1.076 0.000) 1.076 6.590 ( 0.000 -1.327 0.000) 1.327 7.152 ( 0.000 1.779 0.000) 1.779 7.165 ( 0.000 0.973 0.000) 0.973 7.394 ( 0.000 2.924 0.000) 2.924 7.395 ( 0.000 1.790 0.000) 1.790 7.433 ( 0.000 -1.802 0.000) 1.802 7.460 ( 0.000 -3.494 0.000) 3.494 7.756 ( 0.000 1.702 0.000) 1.702 7.792 ( 0.000 -1.699 0.000) 1.699 9.644 ( 0.000 5.844 0.000) 5.844 9.677 ( 0.000 0.409 0.000) 0.409 9.713 ( 0.000 1.651 0.000) 1.651 9.821 ( 0.000 -6.935 0.000) 6.935 10.237 ( 0.000 1.586 0.000) 1.586 10.249 ( 0.000 0.661 0.000) 0.661 10.459 ( 0.000 0.041 0.000) 0.041 10.475 ( 0.000 -1.248 0.000) 1.248 10.621 ( 0.000 5.486 0.000) 5.486 10.748 ( 0.000 -7.140 0.000) 7.140 11.365 ( 0.000 4.527 0.000) 4.527 11.447 ( 0.000 -3.767 0.000) 3.767 17.975 ( 0.000 4.044 0.000) 4.044 18.068 ( 0.000 -5.337 0.000) 5.337 18.408 ( 0.000 2.115 0.000) 2.115 18.448 ( 0.000 -1.818 0.000) 1.818 19.015 ( 0.000 9.586 0.000) 9.586 19.212 ( 0.000 -10.408 0.000) 10.408 19.997 ( 0.000 9.184 0.000) 9.184 20.172 ( 0.000 -8.712 0.000) 8.712 20.791 ( 0.000 7.036 0.000) 7.036 20.928 ( 0.000 -7.020 0.000) 7.020 21.403 ( 0.000 3.965 0.000) 3.965 21.467 ( 0.000 -2.628 0.000) 2.628 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 10.503 18.158 -3.437) 21.257 1.037 ( 2.685 21.992 -6.177) 23.000 1.349 ( 7.452 -17.838 -1.667) 19.404 1.530 ( -1.300 -22.854 -1.236) 22.924 1.854 ( 16.857 28.265 -1.372) 32.939 2.332 ( 9.962 -18.820 -1.326) 21.336 2.575 ( -0.196 17.250 0.884) 17.274 2.682 ( 0.620 3.935 -1.104) 4.133 2.724 ( 0.886 -0.750 -2.629) 2.874 2.903 ( -1.527 -13.021 1.964) 13.257 3.293 ( -0.911 4.695 2.020) 5.192 3.341 ( 1.263 -0.361 2.761) 3.058 3.428 ( -3.694 -0.977 3.646) 5.282 3.475 ( -1.141 -4.128 0.095) 4.284 4.137 ( -3.081 3.707 0.119) 4.821 4.205 ( -2.914 -3.763 0.284) 4.768 4.505 ( 0.467 4.115 -1.189) 4.308 4.577 ( 2.414 -3.234 -0.449) 4.060 4.777 ( -8.557 3.341 -0.007) 9.186 4.830 ( -6.288 -0.629 -2.420) 6.767 4.926 ( -4.683 0.275 1.574) 4.948 5.000 ( -11.140 -5.746 3.157) 12.926 5.132 ( 5.176 5.320 0.382) 7.433 5.185 ( 2.458 -0.628 -0.857) 2.678 5.285 ( 1.531 1.957 -0.326) 2.506 5.372 ( 3.990 -3.299 0.989) 5.271 5.446 ( -1.896 5.736 0.887) 6.106 5.489 ( 4.405 6.923 -2.982) 8.731 5.553 ( 2.229 -4.026 -1.094) 4.731 5.706 ( 8.599 -10.924 -0.236) 13.905 5.819 ( 1.181 1.480 -1.167) 2.225 5.837 ( -2.482 -0.046 -1.818) 3.077 6.017 ( -2.876 6.370 -0.292) 6.995 6.096 ( -2.066 2.081 -2.334) 3.748 6.172 ( 0.904 0.267 -0.907) 1.308 6.206 ( -6.250 -3.356 3.885) 8.088 6.390 ( -1.854 -1.431 -1.645) 2.862 6.427 ( -0.359 -3.323 0.369) 3.363 6.548 ( -1.949 1.756 1.174) 2.874 6.619 ( 4.489 -5.519 4.252) 8.288 7.083 ( -5.716 3.104 -0.892) 6.565 7.117 ( -3.967 -0.357 -0.317) 3.996 7.319 ( -2.333 0.308 -3.878) 4.536 7.336 ( -2.782 -1.476 -5.983) 6.761 7.488 ( 2.291 3.013 4.463) 5.852 7.552 ( 1.677 -3.074 2.475) 4.288 7.714 ( -3.062 1.760 -0.587) 3.580 7.756 ( -1.844 -2.243 -1.464) 3.252 9.531 ( -6.139 3.644 4.859) 8.636 9.589 ( -6.136 -2.257 4.643) 8.019 9.795 ( 4.916 5.023 -1.957) 7.295 9.902 ( 4.583 -5.151 -3.124) 7.570 10.230 ( -0.128 4.737 -11.047) 12.020 10.286 ( 3.281 -1.332 -3.666) 5.097 10.458 ( 1.681 2.327 -1.224) 3.121 10.489 ( 1.792 -1.005 -1.449) 2.514 10.684 ( 4.469 1.373 8.643) 9.826 10.742 ( -0.297 -3.904 12.154) 12.769 11.390 ( 2.352 4.328 0.048) 4.926 11.471 ( 2.068 -3.697 -0.473) 4.263 18.054 ( 6.693 3.657 0.435) 7.639 18.162 ( 7.749 -7.362 -0.633) 10.707 18.502 ( 8.629 2.264 -0.245) 8.924 18.546 ( 9.071 -2.040 -0.089) 9.298 19.030 ( 1.577 8.710 -4.569) 9.961 19.202 ( -0.729 -8.434 -5.136) 9.902 19.987 ( -0.739 10.127 -2.569) 10.474 20.171 ( -0.079 -8.867 -1.326) 8.966 20.790 ( -0.325 6.298 -1.195) 6.418 20.915 ( -1.369 -6.405 -2.583) 7.041 21.345 ( -4.750 2.492 -0.302) 5.372 21.365 ( -7.307 0.826 -2.447) 7.750 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 13.280 13.549 0.936) 18.995 1.268 ( 16.983 8.842 -10.097) 21.646 1.536 ( 9.791 -14.712 -1.478) 17.734 1.580 ( 7.959 -16.724 -4.269) 19.007 2.231 ( 18.341 20.106 -1.636) 27.264 2.536 ( 7.432 -5.904 -0.563) 9.509 2.574 ( 1.384 9.433 0.292) 9.538 2.694 ( 0.103 2.744 0.044) 2.747 2.745 ( 1.581 0.152 -4.267) 4.553 2.878 ( -0.499 -7.793 0.917) 7.862 3.270 ( -2.198 3.002 4.522) 5.856 3.328 ( -1.876 -3.137 6.155) 7.159 3.431 ( 3.599 -1.084 1.388) 4.007 3.480 ( 2.139 -4.238 1.394) 4.948 4.090 ( -2.131 3.097 -0.992) 3.888 4.142 ( -3.651 -2.510 -0.839) 4.509 4.443 ( -4.574 8.252 -0.140) 9.436 4.599 ( -2.703 -6.425 -2.740) 7.490 4.659 ( -3.135 3.178 -0.492) 4.491 4.732 ( -2.606 -2.620 0.312) 3.708 4.785 ( -9.136 -0.492 3.933) 9.959 4.857 ( -1.607 -6.646 -1.188) 6.940 5.206 ( 1.180 6.187 -2.112) 6.643 5.224 ( 1.398 3.024 0.675) 3.399 5.271 ( -1.657 -1.323 0.586) 2.200 5.351 ( -2.786 -5.029 -0.037) 5.749 5.410 ( -1.447 6.482 1.934) 6.917 5.535 ( 0.308 -4.939 -0.964) 5.042 5.690 ( 3.847 4.480 -1.030) 5.994 5.756 ( -2.844 4.033 -2.436) 5.503 5.768 ( -0.055 -1.397 -0.010) 1.398 5.877 ( -3.648 -3.850 -0.388) 5.318 5.975 ( 3.742 1.700 -0.656) 4.162 6.055 ( -4.528 -4.170 3.067) 6.877 6.097 ( 1.149 4.411 -2.454) 5.177 6.200 ( 1.156 -3.527 -4.005) 5.461 6.313 ( -5.175 1.158 -1.939) 5.647 6.372 ( -3.360 -2.764 -2.365) 4.952 6.561 ( 2.243 6.802 6.159) 9.446 6.702 ( 1.350 -5.044 6.139) 8.059 6.988 ( -2.672 0.537 -3.877) 4.739 7.031 ( -2.984 -3.027 -0.910) 4.346 7.273 ( -2.421 0.524 -2.203) 3.315 7.292 ( -3.083 -1.292 -2.380) 4.103 7.459 ( -3.902 1.586 2.127) 4.719 7.498 ( -4.783 -2.010 0.762) 5.244 7.696 ( 1.470 3.364 -0.270) 3.682 7.774 ( 2.697 -4.433 -0.193) 5.192 9.440 ( -2.982 2.300 4.116) 5.579 9.493 ( -3.378 -2.788 4.333) 6.161 9.878 ( 3.270 4.875 -0.684) 5.910 9.978 ( 3.190 -4.419 -2.341) 5.932 10.232 ( 1.101 8.108 -9.263) 12.359 10.354 ( 3.537 -3.973 -8.690) 10.189 10.532 ( 4.722 2.424 2.497) 5.866 10.556 ( 4.495 -0.146 2.768) 5.281 10.756 ( 1.802 0.640 7.620) 7.856 10.792 ( 4.588 -2.652 7.036) 8.809 11.450 ( 3.184 3.630 -0.306) 4.838 11.520 ( 2.573 -3.370 -0.787) 4.313 18.201 ( 6.798 3.620 1.939) 7.942 18.320 ( 6.802 -8.588 1.539) 11.063 18.727 ( 12.684 3.075 -0.148) 13.052 18.784 ( 13.544 -2.583 -0.045) 13.789 19.068 ( 2.281 6.576 -6.781) 9.717 19.183 ( -0.707 -4.437 -7.435) 8.687 19.973 ( -0.177 10.645 -3.800) 11.304 20.165 ( -0.453 -8.794 -2.075) 9.047 20.765 ( -2.085 4.970 -1.580) 5.617 20.865 ( -3.276 -5.241 -4.141) 7.440 21.259 ( -2.320 1.299 -1.095) 2.875 21.260 ( -2.532 1.123 0.370) 2.795 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 16.940 6.984 3.414) 18.639 1.622 ( 17.394 1.027 -7.601) 19.010 1.743 ( 11.564 -8.480 -0.398) 14.346 1.819 ( 13.159 -9.650 -6.384) 17.522 2.535 ( 9.352 9.080 0.311) 13.039 2.567 ( 1.686 10.819 -2.234) 11.175 2.665 ( 2.022 -2.591 0.940) 3.418 2.688 ( 0.091 -0.843 0.205) 0.872 2.786 ( 2.269 3.998 -3.456) 5.751 2.890 ( 1.420 -4.449 -0.620) 4.711 3.219 ( -2.382 3.137 5.402) 6.686 3.306 ( -1.252 -5.694 5.647) 8.117 3.511 ( 4.116 1.041 1.431) 4.480 3.566 ( 5.191 -3.890 1.372) 6.630 4.026 ( -4.101 1.090 -1.788) 4.605 4.048 ( -5.050 -1.177 -1.434) 5.380 4.376 ( -1.894 6.150 -0.186) 6.438 4.489 ( -5.649 -4.486 -3.198) 7.891 4.591 ( -8.101 0.005 1.600) 8.257 4.603 ( -4.514 -0.578 1.311) 4.736 4.731 ( 0.809 3.025 -0.090) 3.133 4.859 ( 0.427 -7.741 -1.097) 7.830 5.156 ( -5.018 3.659 -1.140) 6.314 5.213 ( -4.169 -2.504 -1.662) 5.140 5.271 ( 3.356 3.892 2.111) 5.556 5.334 ( 1.742 -0.780 0.691) 2.030 5.409 ( 1.276 3.960 3.675) 5.551 5.525 ( -1.237 -6.038 -1.517) 6.347 5.648 ( -2.555 1.213 -0.360) 2.851 5.686 ( -3.123 -1.134 -0.999) 3.469 5.733 ( -6.009 -0.152 0.114) 6.012 5.768 ( -4.838 -2.231 -0.232) 5.333 6.021 ( 0.858 5.980 -0.879) 6.105 6.099 ( 3.264 4.756 -1.001) 5.854 6.136 ( 0.943 -5.414 -2.960) 6.242 6.184 ( -2.151 -1.773 -2.668) 3.859 6.249 ( 1.801 3.171 -0.262) 3.656 6.339 ( 0.580 -3.100 -4.286) 5.321 6.592 ( -0.671 7.130 6.970) 9.993 6.670 ( -2.967 1.159 3.284) 4.575 6.941 ( -1.481 0.647 -3.017) 3.423 7.042 ( 1.817 -8.939 0.731) 9.151 7.190 ( -5.592 0.120 1.421) 5.771 7.205 ( -3.326 -0.778 0.570) 3.463 7.404 ( -1.538 1.184 -1.332) 2.354 7.442 ( -0.429 -2.439 -0.314) 2.496 7.739 ( 2.231 4.239 -0.006) 4.790 7.829 ( 2.498 -5.114 -0.182) 5.695 9.405 ( -0.981 1.057 2.761) 3.115 9.451 ( -1.261 -3.083 3.014) 4.492 9.930 ( 1.998 4.232 -0.303) 4.689 10.032 ( 2.129 -5.693 -1.232) 6.202 10.259 ( 1.828 10.628 -6.049) 12.365 10.420 ( 3.386 -5.435 -8.121) 10.342 10.627 ( 4.011 2.766 4.110) 6.374 10.648 ( 3.572 0.540 5.896) 6.915 10.810 ( 3.193 2.681 1.418) 4.404 10.885 ( 3.999 -4.529 2.426) 6.511 11.511 ( 2.668 2.712 -0.340) 3.820 11.566 ( 1.912 -2.830 -0.557) 3.461 18.314 ( 4.067 3.369 2.371) 5.789 18.426 ( 3.552 -8.065 2.630) 9.196 18.980 ( 10.790 4.834 -1.399) 11.906 19.060 ( 11.922 -2.958 -1.168) 12.339 19.111 ( 2.930 3.619 -4.401) 6.407 19.168 ( -0.067 -1.347 -5.680) 5.838 19.978 ( 0.838 9.224 -3.284) 9.827 20.153 ( -0.453 -8.204 -1.972) 8.450 20.719 ( -1.897 3.047 -1.318) 3.823 20.788 ( -3.618 -3.906 -3.087) 6.154 21.249 ( 1.142 1.049 0.158) 1.558 21.256 ( 1.290 0.320 0.078) 1.332 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 13.791 4.398 4.346) 15.114 1.934 ( 12.274 -0.284 -5.148) 13.313 1.967 ( 9.159 -4.564 0.428) 10.242 2.059 ( 9.960 -7.442 -5.095) 13.437 2.561 ( -0.839 8.172 -2.303) 8.532 2.650 ( 0.955 2.347 -0.096) 2.536 2.671 ( -0.235 -1.422 -2.755) 3.109 2.688 ( -0.681 -1.515 3.644) 4.005 2.815 ( 0.536 7.349 -1.052) 7.443 2.922 ( 1.423 -2.598 -0.305) 2.977 3.192 ( -0.303 1.405 2.672) 3.034 3.270 ( -2.703 -6.403 4.628) 8.350 3.596 ( 3.734 3.761 1.217) 5.437 3.656 ( 3.152 -1.813 0.676) 3.699 3.938 ( -3.719 0.517 -1.832) 4.177 3.959 ( -3.368 -1.556 -0.815) 3.799 4.357 ( 0.015 2.791 -0.599) 2.855 4.395 ( -3.221 -1.241 -2.438) 4.226 4.457 ( -4.933 -0.083 0.757) 4.992 4.495 ( -4.878 -3.599 1.354) 6.211 4.755 ( 0.583 4.126 -0.519) 4.199 4.840 ( -1.914 -4.513 -0.667) 4.947 5.063 ( -3.055 3.538 -0.540) 4.706 5.125 ( -3.437 -3.383 -1.175) 4.964 5.335 ( 2.655 6.428 -0.217) 6.958 5.426 ( 4.639 -3.429 2.772) 6.401 5.444 ( 1.439 0.184 6.940) 7.090 5.492 ( -0.698 -3.640 -1.359) 3.948 5.609 ( -2.080 3.321 -1.855) 4.336 5.625 ( -1.384 1.928 -1.958) 3.076 5.671 ( 0.585 -4.311 1.291) 4.538 5.699 ( -1.635 -3.793 -2.324) 4.739 5.943 ( -7.110 4.385 -0.847) 8.397 6.011 ( -5.646 -2.503 -2.455) 6.646 6.213 ( 2.979 1.406 -0.870) 3.407 6.221 ( 2.914 1.190 -1.411) 3.450 6.309 ( 3.173 4.561 -0.056) 5.556 6.362 ( 0.950 1.010 -2.286) 2.673 6.551 ( -2.239 4.903 3.101) 6.219 6.633 ( -0.935 -0.807 1.631) 2.046 6.927 ( -0.140 0.965 -0.512) 1.101 7.014 ( -3.898 -6.526 1.059) 7.675 7.110 ( -2.041 1.922 0.974) 2.969 7.198 ( 1.808 -5.745 1.876) 6.308 7.385 ( -0.488 2.727 -1.752) 3.278 7.449 ( 0.594 -3.231 -0.516) 3.326 7.776 ( 1.366 4.489 -0.025) 4.692 7.870 ( 1.392 -5.346 -0.186) 5.527 9.395 ( -0.248 0.331 1.356) 1.418 9.437 ( -0.347 -3.326 1.483) 3.658 9.962 ( 1.106 3.484 -0.178) 3.659 10.062 ( 0.888 -6.612 -0.440) 6.686 10.292 ( 1.408 12.285 -3.153) 12.761 10.475 ( 2.134 -6.329 -4.656) 8.142 10.691 ( 2.006 2.847 3.315) 4.808 10.700 ( 1.383 1.652 4.058) 4.595 10.874 ( 2.665 2.793 -0.787) 3.940 10.952 ( 2.403 -4.935 0.300) 5.497 11.553 ( 1.450 1.879 -0.166) 2.380 11.594 ( 0.857 -2.238 -0.161) 2.402 18.374 ( 1.846 3.144 1.606) 3.984 18.476 ( 1.440 -7.294 1.825) 7.656 19.087 ( 1.093 5.297 -4.362) 6.948 19.134 ( -0.202 0.690 -4.174) 4.236 19.215 ( 5.621 2.612 0.892) 6.262 19.288 ( 7.492 -4.242 0.357) 8.617 19.997 ( 0.966 7.471 -1.699) 7.722 20.147 ( -0.058 -7.429 -1.149) 7.517 20.693 ( -0.638 1.307 -0.799) 1.659 20.729 ( -1.935 -2.270 -1.428) 3.307 21.283 ( 1.652 0.809 0.171) 1.848 21.288 ( 1.418 0.318 0.019) 1.453 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 2.486 0.000) 2.486 2.023 ( -0.000 5.545 -0.000) 5.545 2.089 ( 0.000 -5.816 0.000) 5.816 2.178 ( 0.000 -10.093 -0.000) 10.093 2.530 ( 0.000 9.024 0.000) 9.024 2.644 ( 0.000 -1.174 -0.000) 1.174 2.664 ( 0.000 0.679 -0.000) 0.679 2.686 ( 0.000 -2.384 0.000) 2.384 2.816 ( 0.000 8.607 0.000) 8.607 2.937 ( 0.000 -2.395 0.000) 2.395 3.212 ( 0.000 -2.268 -0.000) 2.268 3.217 ( 0.000 -3.980 0.000) 3.980 3.639 ( 0.000 4.221 0.000) 4.221 3.690 ( 0.000 -0.282 0.000) 0.282 3.897 ( 0.000 0.489 0.000) 0.489 3.921 ( 0.000 -1.836 0.000) 1.836 4.359 ( 0.000 0.164 0.000) 0.164 4.382 ( 0.000 2.539 -0.000) 2.539 4.384 ( -0.000 -2.184 0.000) 2.184 4.443 ( 0.000 -3.458 0.000) 3.458 4.755 ( 0.000 2.949 0.000) 2.949 4.813 ( 0.000 -3.838 0.000) 3.838 5.035 ( 0.000 3.645 0.000) 3.645 5.089 ( 0.000 -3.044 0.000) 3.044 5.374 ( 0.000 7.644 0.000) 7.644 5.439 ( 0.000 -1.288 0.000) 1.288 5.443 ( 0.000 -1.823 -0.000) 1.823 5.537 ( 0.000 -7.863 0.000) 7.863 5.586 ( 0.000 5.323 0.000) 5.323 5.634 ( 0.000 2.421 -0.000) 2.421 5.674 ( 0.000 -1.167 0.000) 1.167 5.712 ( 0.000 -6.220 0.000) 6.220 5.827 ( 0.000 5.486 0.000) 5.486 5.940 ( 0.000 -4.790 0.000) 4.790 6.244 ( 0.000 1.507 0.000) 1.507 6.249 ( 0.000 0.542 -0.000) 0.542 6.347 ( 0.000 5.911 0.000) 5.911 6.368 ( 0.000 5.661 0.000) 5.661 6.530 ( 0.000 3.124 0.000) 3.124 6.626 ( 0.000 -2.596 -0.000) 2.596 6.936 ( 0.000 -2.013 0.000) 2.013 6.952 ( 0.000 -3.984 0.000) 3.984 7.095 ( 0.000 3.520 0.000) 3.520 7.223 ( 0.000 -7.711 0.000) 7.711 7.379 ( 0.000 3.785 0.000) 3.785 7.456 ( 0.000 -3.572 0.000) 3.572 7.791 ( 0.000 4.538 0.000) 4.538 7.884 ( 0.000 -5.411 -0.000) 5.411 9.393 ( 0.000 0.099 0.000) 0.099 9.435 ( 0.000 -3.428 0.000) 3.428 9.973 ( 0.000 3.109 0.000) 3.109 10.070 ( 0.000 -6.661 0.000) 6.661 10.306 ( 0.000 12.703 0.000) 12.703 10.496 ( 0.000 -6.656 0.000) 6.656 10.713 ( 0.000 2.768 -0.000) 2.768 10.714 ( 0.000 2.098 0.000) 2.098 10.903 ( 0.000 2.696 -0.000) 2.696 10.977 ( 0.000 -4.864 -0.000) 4.864 11.568 ( 0.000 1.519 0.000) 1.519 11.603 ( 0.000 -1.961 0.000) 1.961 18.393 ( 0.000 3.082 0.000) 3.082 18.491 ( 0.000 -6.933 0.000) 6.933 19.092 ( 0.000 4.411 0.000) 4.411 19.127 ( 0.000 0.943 -0.000) 0.943 19.278 ( 0.000 3.568 -0.000) 3.568 19.367 ( 0.000 -4.827 -0.000) 4.827 20.008 ( 0.000 6.834 -0.000) 6.834 20.147 ( 0.000 -7.066 0.000) 7.066 20.687 ( 0.000 0.638 0.000) 0.638 20.709 ( 0.000 -1.509 0.000) 1.509 21.302 ( 0.000 0.624 0.000) 0.624 21.304 ( 0.000 0.455 0.000) 0.455 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -2.028 0.000 19.063) 19.171 0.497 ( -6.289 0.000 24.681) 25.469 0.838 ( -9.133 0.000 38.604) 39.670 1.978 ( -0.406 0.000 4.685) 4.702 2.094 ( -1.880 0.000 4.919) 5.266 2.267 ( 0.845 0.000 1.545) 1.761 2.367 ( -2.248 0.000 -8.154) 8.458 2.686 ( -3.004 0.000 -1.905) 3.557 2.719 ( 3.593 0.000 4.927) 6.098 3.039 ( 1.526 0.000 -2.510) 2.937 3.086 ( -0.980 0.000 0.415) 1.064 3.375 ( 6.405 0.000 -9.945) 11.829 3.565 ( 0.842 0.000 0.025) 0.842 3.740 ( 0.784 0.000 3.894) 3.972 3.852 ( 0.444 0.000 -3.032) 3.064 4.331 ( 0.214 0.000 -0.098) 0.235 4.540 ( 2.470 0.000 -9.137) 9.465 4.619 ( 8.511 0.000 1.613) 8.663 4.687 ( -2.689 0.000 -7.390) 7.864 4.802 ( -5.527 0.000 2.012) 5.882 4.908 ( 1.208 0.000 -1.826) 2.190 4.920 ( 5.648 0.000 5.407) 7.819 5.118 ( -3.175 0.000 7.983) 8.591 5.236 ( 2.890 0.000 2.728) 3.974 5.284 ( -9.557 0.000 2.310) 9.832 5.361 ( 1.432 0.000 1.255) 1.904 5.416 ( -1.818 0.000 7.179) 7.406 5.445 ( -3.865 0.000 -2.656) 4.690 5.709 ( -4.554 0.000 5.367) 7.039 5.762 ( -6.208 0.000 -0.948) 6.280 5.842 ( 1.318 0.000 1.737) 2.181 5.850 ( 12.182 0.000 -1.541) 12.279 5.915 ( 0.805 0.000 3.806) 3.891 6.023 ( -0.286 0.000 5.119) 5.127 6.109 ( 1.964 0.000 7.128) 7.394 6.341 ( 2.660 0.000 -1.933) 3.288 6.352 ( 0.318 0.000 -0.887) 0.942 6.530 ( 5.423 0.000 2.182) 5.846 6.652 ( -2.790 0.000 1.238) 3.052 6.764 ( -5.084 0.000 0.590) 5.118 7.085 ( 0.238 0.000 -2.926) 2.936 7.088 ( -0.521 0.000 -0.350) 0.627 7.280 ( -1.035 0.000 -5.647) 5.741 7.310 ( -14.974 0.000 -6.242) 16.223 7.460 ( 3.134 0.000 3.463) 4.671 7.666 ( -1.446 0.000 -1.275) 1.928 7.711 ( 1.450 0.000 -2.997) 3.330 7.845 ( -7.644 0.000 1.022) 7.712 9.479 ( 0.966 0.000 0.600) 1.137 9.516 ( -4.109 0.000 -2.040) 4.588 9.707 ( -0.857 0.000 3.746) 3.842 9.708 ( 4.193 0.000 0.218) 4.198 10.171 ( -0.690 0.000 -0.571) 0.895 10.219 ( -0.248 0.000 -1.881) 1.898 10.414 ( -6.365 0.000 -6.731) 9.264 10.442 ( -2.314 0.000 -5.666) 6.120 10.698 ( 2.854 0.000 5.670) 6.348 11.222 ( 0.924 0.000 -0.924) 1.307 11.551 ( -1.509 0.000 1.925) 2.446 11.626 ( 57.568 0.000 -0.264) 57.568 17.976 ( 1.432 0.000 -0.654) 1.574 18.337 ( 1.005 0.000 -1.911) 2.159 18.490 ( 0.160 0.000 0.406) 0.436 18.639 ( -23.517 0.000 -8.519) 25.012 18.984 ( -68.836 0.000 3.945) 68.949 19.035 ( 1.017 0.000 -0.454) 1.114 19.625 ( -3.799 0.000 -1.668) 4.149 20.204 ( 7.576 0.000 -9.219) 11.932 20.562 ( -4.998 0.000 6.117) 7.899 20.612 ( 0.008 0.000 1.632) 1.632 21.187 ( 0.841 0.000 1.277) 1.529 21.635 ( -6.566 0.000 -3.446) 7.415 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 15.799 0.000 11.205) 19.369 0.646 ( 20.738 0.000 10.404) 23.202 1.092 ( 23.067 0.000 27.215) 35.675 2.001 ( 2.415 0.000 4.247) 4.886 2.078 ( 0.331 0.000 3.804) 3.819 2.286 ( 0.830 0.000 2.402) 2.541 2.318 ( -1.908 0.000 -7.315) 7.560 2.659 ( 0.473 0.000 -4.485) 4.510 2.748 ( -1.153 0.000 6.405) 6.508 3.035 ( -1.166 0.000 -0.825) 1.428 3.092 ( 1.382 0.000 -0.882) 1.639 3.452 ( 1.675 0.000 -4.232) 4.551 3.596 ( 2.110 0.000 1.026) 2.347 3.615 ( -3.426 0.000 3.680) 5.028 3.876 ( 2.060 0.000 -2.354) 3.128 4.294 ( -3.718 0.000 1.790) 4.127 4.381 ( -10.596 0.000 -5.454) 11.918 4.704 ( -5.762 0.000 2.459) 6.265 4.742 ( -0.635 0.000 -8.542) 8.565 4.840 ( 10.878 0.000 -0.643) 10.897 4.964 ( 5.317 0.000 -2.974) 6.092 5.047 ( -4.477 0.000 8.856) 9.923 5.057 ( -1.482 0.000 5.876) 6.060 5.184 ( 7.670 0.000 -7.113) 10.461 5.189 ( -8.554 0.000 3.371) 9.194 5.315 ( -1.512 0.000 3.282) 3.614 5.419 ( -1.534 0.000 7.613) 7.766 5.498 ( 7.327 0.000 -7.363) 10.388 5.624 ( -8.236 0.000 1.055) 8.303 5.630 ( -3.746 0.000 3.865) 5.382 5.889 ( -2.002 0.000 4.200) 4.653 5.930 ( 5.025 0.000 1.056) 5.135 5.988 ( -1.538 0.000 5.325) 5.543 6.146 ( 9.411 0.000 -1.877) 9.597 6.158 ( 2.403 0.000 8.814) 9.136 6.336 ( 0.849 0.000 -2.659) 2.791 6.381 ( 1.410 0.000 0.693) 1.571 6.522 ( -9.559 0.000 -0.044) 9.559 6.622 ( -8.065 0.000 -4.456) 9.214 6.699 ( 1.445 0.000 -5.621) 5.804 6.954 ( -3.520 0.000 -2.481) 4.307 7.083 ( -0.701 0.000 -3.973) 4.034 7.147 ( 1.019 0.000 1.320) 1.667 7.267 ( 0.613 0.000 -2.870) 2.935 7.500 ( 0.382 0.000 3.377) 3.398 7.537 ( -8.373 0.000 0.690) 8.402 7.709 ( -1.315 0.000 -2.197) 2.561 7.801 ( 1.761 0.000 -3.901) 4.280 9.491 ( 0.687 0.000 1.379) 1.541 9.524 ( 3.141 0.000 1.794) 3.617 9.734 ( -1.624 0.000 3.856) 4.184 9.739 ( 3.326 0.000 3.726) 4.994 10.186 ( 2.014 0.000 -0.989) 2.243 10.268 ( 5.108 0.000 -2.414) 5.650 10.325 ( -2.032 0.000 -7.900) 8.158 10.426 ( 1.544 0.000 -5.947) 6.145 10.776 ( 4.406 0.000 3.322) 5.518 11.203 ( -1.915 0.000 -0.562) 1.996 11.552 ( 1.417 0.000 1.060) 1.770 11.838 ( -23.304 0.000 22.592) 32.458 17.951 ( 8.972 0.000 -3.386) 9.589 18.071 ( 7.138 0.000 0.606) 7.164 18.449 ( 9.487 0.000 -0.451) 9.497 18.583 ( 8.650 0.000 0.742) 8.682 18.751 ( 0.768 0.000 -2.121) 2.256 19.064 ( 1.689 0.000 1.246) 2.099 19.551 ( -2.807 0.000 -4.940) 5.682 20.323 ( 1.475 0.000 -11.245) 11.341 20.612 ( 6.633 0.000 -4.379) 7.948 20.623 ( 0.929 0.000 2.015) 2.219 21.198 ( 0.226 0.000 1.661) 1.676 21.455 ( -8.051 0.000 4.558) 9.252 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 25.973 0.000 -0.962) 25.991 1.106 ( 22.594 0.000 5.458) 23.244 1.630 ( 26.235 0.000 16.056) 30.758 2.076 ( 4.674 0.000 3.570) 5.882 2.123 ( 4.017 0.000 2.710) 4.846 2.290 ( 0.012 0.000 -4.420) 4.420 2.308 ( 1.430 0.000 3.128) 3.439 2.683 ( 1.679 0.000 -5.444) 5.697 2.702 ( -2.802 0.000 6.012) 6.633 3.040 ( 1.658 0.000 -0.533) 1.742 3.122 ( 0.952 0.000 -1.744) 1.987 3.457 ( -0.444 0.000 0.045) 0.447 3.632 ( 2.268 0.000 0.990) 2.474 3.655 ( 3.745 0.000 1.122) 3.909 3.926 ( 2.632 0.000 -1.227) 2.904 4.177 ( -8.746 0.000 -3.425) 9.393 4.241 ( -1.074 0.000 1.649) 1.968 4.573 ( -6.262 0.000 3.937) 7.397 4.643 ( -6.694 0.000 -4.831) 8.255 4.902 ( -10.275 0.000 2.802) 10.650 4.945 ( -2.701 0.000 4.410) 5.172 5.063 ( -0.888 0.000 0.267) 0.927 5.097 ( 8.593 0.000 -1.892) 8.799 5.150 ( -8.930 0.000 -6.239) 10.893 5.163 ( 7.073 0.000 -3.777) 8.019 5.342 ( 2.500 0.000 2.282) 3.385 5.351 ( -4.744 0.000 9.289) 10.430 5.531 ( -2.506 0.000 1.443) 2.892 5.569 ( 3.500 0.000 2.276) 4.175 5.656 ( 4.929 0.000 -5.133) 7.116 5.851 ( -2.064 0.000 3.550) 4.106 5.961 ( -1.525 0.000 5.294) 5.509 5.985 ( -0.491 0.000 1.997) 2.057 6.159 ( -4.562 0.000 3.144) 5.540 6.197 ( -0.390 0.000 4.387) 4.404 6.303 ( -10.536 0.000 -0.814) 10.568 6.399 ( -0.243 0.000 -0.774) 0.812 6.414 ( 3.764 0.000 -0.384) 3.784 6.484 ( -2.545 0.000 -2.330) 3.450 6.515 ( -11.571 0.000 3.523) 12.096 7.016 ( 2.132 0.000 -10.585) 10.797 7.056 ( -1.168 0.000 -4.629) 4.774 7.229 ( 5.907 0.000 -4.600) 7.486 7.301 ( 2.117 0.000 -0.892) 2.297 7.391 ( -5.623 0.000 -1.085) 5.727 7.478 ( -2.392 0.000 3.835) 4.519 7.671 ( -1.833 0.000 -2.463) 3.070 7.841 ( 2.312 0.000 -6.819) 7.200 9.517 ( 1.615 0.000 1.935) 2.520 9.584 ( 1.579 0.000 3.227) 3.592 9.697 ( -0.768 0.000 4.313) 4.381 9.830 ( 4.943 0.000 2.873) 5.717 10.233 ( 2.088 0.000 -1.490) 2.565 10.305 ( 0.382 0.000 -7.540) 7.550 10.394 ( 6.585 0.000 -2.006) 6.884 10.497 ( 5.469 0.000 -7.053) 8.925 10.877 ( 5.190 0.000 0.297) 5.198 11.102 ( -8.080 0.000 9.082) 12.156 11.531 ( -5.732 0.000 18.553) 19.418 11.598 ( 2.690 0.000 1.357) 3.013 18.226 ( 7.098 0.000 1.691) 7.296 18.263 ( 14.418 0.000 -18.129) 23.163 18.693 ( 12.493 0.000 -0.595) 12.508 18.800 ( 5.065 0.000 -1.554) 5.298 18.819 ( 13.287 0.000 1.117) 13.334 19.093 ( 0.972 0.000 3.176) 3.322 19.532 ( 1.840 0.000 -7.747) 7.962 20.304 ( -1.651 0.000 -7.494) 7.674 20.650 ( 1.427 0.000 2.262) 2.674 20.717 ( 3.212 0.000 -9.134) 9.682 21.205 ( 0.502 0.000 1.600) 1.677 21.334 ( -4.106 0.000 4.643) 6.198 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 23.020 0.000 -0.016) 23.020 1.540 ( 19.134 0.000 3.592) 19.468 2.061 ( 11.508 0.000 6.654) 13.293 2.211 ( 8.455 0.000 -2.220) 8.742 2.237 ( 6.654 0.000 1.461) 6.813 2.358 ( 3.478 0.000 2.670) 4.385 2.360 ( 9.451 0.000 4.159) 10.326 2.659 ( -1.765 0.000 4.415) 4.755 2.707 ( 0.743 0.000 -4.040) 4.108 3.091 ( 3.343 0.000 0.861) 3.452 3.100 ( -3.516 0.000 -0.628) 3.571 3.456 ( 0.645 0.000 1.557) 1.685 3.644 ( -1.559 0.000 4.583) 4.841 3.734 ( 2.848 0.000 0.009) 2.848 3.952 ( -1.508 0.000 -1.651) 2.236 4.044 ( -3.023 0.000 -1.236) 3.266 4.252 ( 1.837 0.000 1.112) 2.147 4.487 ( -1.725 0.000 2.636) 3.150 4.509 ( -5.578 0.000 -2.866) 6.271 4.691 ( -9.373 0.000 2.532) 9.709 4.877 ( -8.213 0.000 1.386) 8.329 4.916 ( -5.701 0.000 -2.920) 6.406 5.076 ( 0.951 0.000 -1.179) 1.514 5.113 ( -6.114 0.000 1.793) 6.371 5.234 ( -0.012 0.000 -2.102) 2.102 5.399 ( 2.877 0.000 -4.198) 5.090 5.436 ( 9.678 0.000 2.516) 9.999 5.526 ( 2.320 0.000 3.544) 4.236 5.628 ( 0.600 0.000 0.475) 0.765 5.715 ( 0.464 0.000 -3.015) 3.051 5.795 ( -4.182 0.000 1.762) 4.538 5.907 ( -5.757 0.000 3.099) 6.538 5.932 ( -1.090 0.000 5.322) 5.432 6.062 ( -4.200 0.000 7.500) 8.596 6.109 ( -7.506 0.000 -5.636) 9.387 6.160 ( -2.068 0.000 -2.798) 3.479 6.279 ( -9.687 0.000 1.648) 9.826 6.399 ( 0.682 0.000 -2.460) 2.553 6.473 ( 0.645 0.000 3.190) 3.254 6.526 ( 4.258 0.000 5.622) 7.052 7.024 ( 0.265 0.000 -7.168) 7.173 7.044 ( 0.327 0.000 -2.773) 2.793 7.293 ( -1.903 0.000 -4.637) 5.012 7.299 ( -3.165 0.000 0.887) 3.287 7.334 ( 1.932 0.000 -0.319) 1.958 7.459 ( 1.483 0.000 2.712) 3.090 7.639 ( -1.264 0.000 -3.624) 3.838 7.889 ( 2.862 0.000 -8.977) 9.423 9.558 ( 2.193 0.000 1.474) 2.642 9.581 ( -1.185 0.000 3.291) 3.498 9.722 ( 1.879 0.000 4.043) 4.458 9.927 ( 4.018 0.000 2.529) 4.748 10.260 ( 0.755 0.000 -3.086) 3.177 10.324 ( 1.748 0.000 -7.860) 8.052 10.518 ( 5.469 0.000 -0.543) 5.496 10.618 ( 6.300 0.000 -7.034) 9.443 10.953 ( -6.314 0.000 13.286) 14.710 10.977 ( 4.438 0.000 -1.542) 4.698 11.515 ( 1.182 0.000 7.186) 7.283 11.650 ( 2.094 0.000 2.045) 2.927 18.340 ( 3.791 0.000 2.201) 4.384 18.473 ( 7.875 0.000 -12.719) 14.959 18.840 ( 4.681 0.000 -2.273) 5.204 18.990 ( 0.762 0.000 0.988) 1.248 19.018 ( 12.279 0.000 2.465) 12.524 19.200 ( 11.416 0.000 3.481) 11.935 19.612 ( 5.750 0.000 -7.535) 9.478 20.270 ( -0.943 0.000 -5.869) 5.944 20.680 ( 1.266 0.000 2.348) 2.667 20.732 ( -0.659 0.000 -7.075) 7.105 21.226 ( 1.519 0.000 1.118) 1.886 21.291 ( -0.571 0.000 3.110) 3.162 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 11.162 0.000 2.552) 11.450 1.891 ( 14.330 0.000 2.668) 14.576 2.193 ( 3.905 0.000 4.803) 6.190 2.332 ( 4.846 0.000 -5.147) 7.069 2.371 ( 5.639 0.000 0.890) 5.709 2.451 ( 5.289 0.000 -0.316) 5.299 2.608 ( 5.303 0.000 2.829) 6.011 2.636 ( 3.041 0.000 4.414) 5.360 2.712 ( 0.207 0.000 -0.809) 0.835 2.982 ( -7.518 0.000 2.044) 7.791 3.184 ( 5.855 0.000 1.756) 6.112 3.484 ( 1.628 0.000 1.161) 1.999 3.592 ( -2.694 0.000 5.620) 6.232 3.736 ( -3.219 0.000 2.929) 4.352 3.891 ( -2.214 0.000 -1.853) 2.887 4.010 ( -2.190 0.000 -0.681) 2.293 4.300 ( 2.294 0.000 0.334) 2.319 4.428 ( -2.279 0.000 -0.370) 2.309 4.494 ( 0.430 0.000 2.531) 2.567 4.549 ( -4.435 0.000 1.575) 4.707 4.708 ( -3.906 0.000 -1.448) 4.166 4.876 ( -1.015 0.000 1.100) 1.496 5.017 ( -1.277 0.000 -0.887) 1.555 5.083 ( 0.095 0.000 -1.356) 1.359 5.210 ( -1.196 0.000 -0.152) 1.206 5.436 ( 0.739 0.000 -10.027) 10.054 5.483 ( -8.914 0.000 1.638) 9.063 5.611 ( 4.932 0.000 4.706) 6.817 5.632 ( 1.684 0.000 1.085) 2.003 5.664 ( -3.660 0.000 -0.675) 3.722 5.758 ( 2.920 0.000 -0.751) 3.015 5.805 ( -4.801 0.000 -0.804) 4.868 5.917 ( -2.521 0.000 3.844) 4.596 5.991 ( -2.848 0.000 10.320) 10.705 6.023 ( 0.404 0.000 -3.557) 3.580 6.134 ( -0.980 0.000 -1.694) 1.957 6.149 ( -2.608 0.000 -0.429) 2.643 6.397 ( -0.956 0.000 -3.188) 3.328 6.466 ( -1.313 0.000 4.921) 5.093 6.620 ( 4.154 0.000 4.803) 6.350 7.040 ( 1.827 0.000 -5.674) 5.961 7.067 ( 1.864 0.000 0.697) 1.990 7.209 ( -4.765 0.000 1.710) 5.062 7.240 ( -2.560 0.000 -4.380) 5.073 7.366 ( 0.771 0.000 1.350) 1.555 7.510 ( 2.357 0.000 0.267) 2.372 7.611 ( -1.096 0.000 -4.504) 4.635 7.940 ( 2.491 0.000 -9.017) 9.355 9.560 ( -1.014 0.000 2.138) 2.366 9.606 ( 2.429 0.000 0.582) 2.498 9.752 ( 0.641 0.000 4.111) 4.160 9.981 ( 0.890 0.000 2.349) 2.512 10.270 ( 0.798 0.000 -4.331) 4.404 10.358 ( 1.878 0.000 -8.244) 8.455 10.610 ( 3.416 0.000 0.894) 3.531 10.727 ( 4.475 0.000 -6.326) 7.748 10.858 ( -4.141 0.000 12.309) 12.987 11.049 ( 2.644 0.000 -2.296) 3.502 11.546 ( 1.142 0.000 3.586) 3.764 11.683 ( 1.026 0.000 2.776) 2.959 18.386 ( 0.858 0.000 2.524) 2.666 18.592 ( 4.842 0.000 -8.891) 10.124 18.930 ( 4.240 0.000 -0.238) 4.247 18.968 ( -1.392 0.000 -0.500) 1.479 19.211 ( 5.880 0.000 3.852) 7.029 19.423 ( 8.221 0.000 3.797) 9.056 19.726 ( 5.284 0.000 -5.697) 7.770 20.263 ( 0.466 0.000 -4.845) 4.868 20.701 ( 0.633 0.000 2.263) 2.350 20.712 ( -0.311 0.000 -4.132) 4.143 21.260 ( 1.447 0.000 0.434) 1.511 21.296 ( 0.516 0.000 2.100) 2.162 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.777 0.000 1.778) 1.940 2.024 ( -2.669 0.000 3.687) 4.552 2.242 ( 1.138 0.000 3.735) 3.905 2.429 ( -0.693 0.000 1.875) 1.999 2.437 ( 5.414 0.000 -3.378) 6.381 2.544 ( 2.936 0.000 -6.623) 7.245 2.575 ( -2.836 0.000 3.904) 4.825 2.731 ( 1.151 0.000 0.963) 1.500 2.736 ( 1.447 0.000 1.066) 1.797 2.844 ( -3.821 0.000 6.874) 7.865 3.315 ( 5.493 0.000 2.594) 6.074 3.501 ( -0.607 0.000 0.821) 1.021 3.571 ( -0.768 0.000 4.475) 4.541 3.623 ( -5.795 0.000 5.479) 7.975 3.892 ( 2.323 0.000 -0.733) 2.436 3.962 ( -1.402 0.000 -1.635) 2.154 4.304 ( -2.498 0.000 -1.468) 2.898 4.415 ( 1.246 0.000 0.986) 1.589 4.502 ( -0.805 0.000 0.442) 0.919 4.511 ( 3.040 0.000 2.888) 4.193 4.700 ( 0.592 0.000 2.631) 2.697 4.881 ( 1.945 0.000 1.808) 2.655 5.098 ( 1.644 0.000 -0.265) 1.665 5.112 ( 10.317 0.000 -5.430) 11.658 5.204 ( 0.723 0.000 0.962) 1.203 5.261 ( -10.439 0.000 2.554) 10.747 5.381 ( -5.910 0.000 -10.727) 12.248 5.628 ( 2.743 0.000 -4.281) 5.084 5.629 ( -1.372 0.000 0.763) 1.570 5.718 ( 1.339 0.000 4.340) 4.542 5.745 ( 1.945 0.000 -0.897) 2.142 5.768 ( -5.361 0.000 0.584) 5.392 5.880 ( 1.275 0.000 2.421) 2.737 5.979 ( 0.175 0.000 6.602) 6.605 6.073 ( 1.284 0.000 3.883) 4.090 6.118 ( 1.482 0.000 -2.823) 3.188 6.140 ( 0.878 0.000 0.590) 1.058 6.355 ( -2.742 0.000 -4.421) 5.203 6.441 ( -1.041 0.000 5.334) 5.435 6.686 ( 1.902 0.000 3.635) 4.103 7.087 ( 2.531 0.000 -3.663) 4.453 7.110 ( 0.998 0.000 3.291) 3.439 7.130 ( -1.871 0.000 1.020) 2.131 7.191 ( -1.336 0.000 -6.156) 6.300 7.372 ( -0.211 0.000 2.240) 2.250 7.517 ( -1.981 0.000 -2.991) 3.587 7.606 ( 0.891 0.000 -3.466) 3.578 7.971 ( 0.930 0.000 -7.813) 7.869 9.541 ( -1.024 0.000 1.063) 1.476 9.652 ( 1.939 0.000 -0.011) 1.939 9.752 ( -0.839 0.000 3.703) 3.797 9.968 ( -1.909 0.000 1.697) 2.554 10.288 ( 0.997 0.000 -4.228) 4.344 10.381 ( 0.726 0.000 -8.337) 8.368 10.656 ( 0.962 0.000 2.294) 2.488 10.780 ( -2.160 0.000 2.908) 3.622 10.791 ( -0.269 0.000 2.494) 2.509 11.078 ( 0.266 0.000 -2.587) 2.600 11.558 ( -0.293 0.000 2.348) 2.366 11.699 ( 0.443 0.000 3.528) 3.556 18.386 ( -0.918 0.000 2.352) 2.525 18.666 ( 2.893 0.000 -7.578) 8.112 18.950 ( -0.344 0.000 -1.576) 1.613 19.012 ( 3.740 0.000 3.537) 5.148 19.255 ( -1.550 0.000 3.382) 3.720 19.508 ( -0.369 0.000 3.439) 3.459 19.807 ( 2.841 0.000 -3.344) 4.388 20.277 ( 1.044 0.000 -3.842) 3.981 20.707 ( -0.151 0.000 2.066) 2.071 20.730 ( 2.414 0.000 -1.933) 3.093 21.271 ( -0.630 0.000 -0.176) 0.654 21.303 ( -0.080 0.000 1.904) 1.906 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -15.456 0.000 2.309) 15.627 1.837 ( -11.716 0.000 1.679) 11.836 2.243 ( -1.874 0.000 4.038) 4.452 2.363 ( -4.683 0.000 1.781) 5.011 2.506 ( 0.296 0.000 -2.117) 2.138 2.519 ( -2.155 0.000 4.359) 4.863 2.540 ( -3.414 0.000 -1.431) 3.702 2.698 ( -4.761 0.000 4.374) 6.465 2.719 ( 0.430 0.000 -2.392) 2.430 2.892 ( 4.089 0.000 4.735) 6.256 3.294 ( -8.119 0.000 6.438) 10.362 3.453 ( -3.809 0.000 0.362) 3.826 3.547 ( 2.363 0.000 2.672) 3.567 3.620 ( 1.130 0.000 1.129) 1.598 3.954 ( 2.072 0.000 -1.059) 2.327 3.978 ( 3.605 0.000 -1.987) 4.116 4.241 ( -2.638 0.000 -1.846) 3.220 4.490 ( 5.926 0.000 2.304) 6.358 4.508 ( 1.895 0.000 -0.691) 2.017 4.569 ( 0.727 0.000 4.844) 4.898 4.758 ( 6.443 0.000 2.107) 6.779 4.954 ( 4.385 0.000 3.549) 5.641 5.102 ( -3.235 0.000 1.170) 3.440 5.140 ( 1.889 0.000 0.574) 1.974 5.231 ( -4.255 0.000 -5.816) 7.207 5.247 ( 0.765 0.000 -2.268) 2.393 5.393 ( 15.216 0.000 -5.227) 16.089 5.564 ( -6.095 0.000 0.200) 6.098 5.665 ( -2.909 0.000 -2.163) 3.625 5.703 ( 1.520 0.000 -3.691) 3.992 5.770 ( 6.684 0.000 1.899) 6.949 5.823 ( 5.015 0.000 -1.931) 5.374 5.856 ( -3.803 0.000 5.169) 6.418 5.996 ( 0.538 0.000 4.707) 4.737 6.013 ( -5.611 0.000 9.266) 10.832 6.177 ( 2.601 0.000 0.880) 2.746 6.215 ( 4.567 0.000 -4.428) 6.361 6.303 ( -0.662 0.000 -3.265) 3.332 6.439 ( 0.560 0.000 4.475) 4.510 6.702 ( -0.403 0.000 4.080) 4.100 7.078 ( -0.998 0.000 -1.631) 1.912 7.098 ( -1.083 0.000 -2.928) 3.121 7.169 ( 2.398 0.000 5.270) 5.790 7.222 ( 4.589 0.000 -6.282) 7.780 7.367 ( -0.064 0.000 1.673) 1.674 7.450 ( -3.920 0.000 -3.948) 5.564 7.620 ( 0.406 0.000 -3.845) 3.867 7.965 ( -1.143 0.000 -6.739) 6.835 9.518 ( -1.247 0.000 0.053) 1.248 9.681 ( 0.819 0.000 0.133) 0.830 9.723 ( -2.115 0.000 2.998) 3.669 9.918 ( -2.931 0.000 1.190) 3.164 10.297 ( 0.019 0.000 -3.554) 3.554 10.375 ( -0.819 0.000 -7.876) 7.918 10.656 ( -0.979 0.000 3.474) 3.609 10.693 ( -5.485 0.000 8.460) 10.083 10.792 ( -0.908 0.000 -3.923) 4.027 11.053 ( -2.668 0.000 -2.705) 3.800 11.536 ( -1.993 0.000 2.276) 3.025 11.707 ( 0.044 0.000 4.306) 4.306 18.353 ( -2.535 0.000 1.452) 2.921 18.699 ( 0.690 0.000 -7.912) 7.942 18.949 ( 0.226 0.000 -2.038) 2.051 19.083 ( 1.399 0.000 9.418) 9.521 19.174 ( -4.585 0.000 0.898) 4.672 19.413 ( -8.853 0.000 2.906) 9.317 19.838 ( 0.294 0.000 -1.236) 1.271 20.293 ( 0.543 0.000 -3.332) 3.376 20.697 ( -0.903 0.000 1.833) 2.043 20.809 ( 5.269 0.000 -0.952) 5.354 21.234 ( -2.703 0.000 -0.589) 2.766 21.295 ( -0.768 0.000 2.298) 2.423 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -19.989 0.000 2.955) 20.206 1.525 ( -18.400 0.000 2.908) 18.629 2.164 ( -6.014 0.000 2.853) 6.656 2.273 ( -4.005 0.000 2.867) 4.925 2.418 ( -14.006 0.000 10.932) 17.767 2.428 ( -6.627 0.000 4.973) 8.286 2.464 ( -2.745 0.000 0.375) 2.771 2.577 ( -2.853 0.000 6.099) 6.733 2.787 ( 6.022 0.000 -8.243) 10.208 2.937 ( -0.090 0.000 1.384) 1.386 3.141 ( -5.402 0.000 2.543) 5.970 3.363 ( -4.751 0.000 -1.157) 4.890 3.590 ( 0.782 0.000 0.108) 0.790 3.619 ( -1.282 0.000 0.201) 1.298 3.958 ( -1.442 0.000 -2.683) 3.046 4.074 ( 5.413 0.000 -1.971) 5.761 4.208 ( -0.487 0.000 -0.833) 0.965 4.582 ( 5.750 0.000 -1.581) 5.964 4.582 ( 1.538 0.000 5.711) 5.914 4.661 ( 9.837 0.000 2.881) 10.250 4.905 ( 4.343 0.000 1.837) 4.715 5.039 ( 6.268 0.000 3.992) 7.431 5.132 ( -3.239 0.000 -3.943) 5.103 5.152 ( -0.824 0.000 -2.725) 2.846 5.159 ( 7.127 0.000 1.022) 7.200 5.313 ( 3.202 0.000 2.238) 3.907 5.382 ( -10.620 0.000 0.094) 10.620 5.629 ( 0.207 0.000 -5.564) 5.568 5.698 ( 10.224 0.000 -0.793) 10.255 5.729 ( 1.022 0.000 -2.397) 2.606 5.788 ( 0.311 0.000 2.891) 2.907 5.815 ( -2.420 0.000 0.854) 2.566 5.900 ( -3.227 0.000 10.457) 10.944 5.995 ( -0.791 0.000 6.363) 6.412 6.018 ( 10.153 0.000 -3.904) 10.877 6.230 ( 0.545 0.000 -2.333) 2.396 6.234 ( 2.485 0.000 -0.819) 2.617 6.369 ( 4.189 0.000 -0.587) 4.230 6.461 ( 1.059 0.000 3.473) 3.631 6.697 ( 0.539 0.000 5.204) 5.231 7.075 ( -0.624 0.000 -3.614) 3.668 7.083 ( 1.614 0.000 -3.058) 3.458 7.216 ( 1.852 0.000 3.365) 3.841 7.330 ( 4.923 0.000 -3.217) 5.881 7.368 ( -3.452 0.000 -3.108) 4.645 7.393 ( 3.996 0.000 -0.234) 4.003 7.619 ( -0.022 0.000 -4.509) 4.509 7.918 ( -2.963 0.000 -6.302) 6.964 9.493 ( -0.962 0.000 -1.052) 1.425 9.671 ( -3.046 0.000 2.208) 3.762 9.687 ( -0.169 0.000 0.260) 0.310 9.856 ( -3.030 0.000 1.655) 3.452 10.283 ( -1.160 0.000 -2.481) 2.739 10.343 ( -1.794 0.000 -6.790) 7.023 10.567 ( -7.244 0.000 6.970) 10.053 10.629 ( -1.636 0.000 4.364) 4.660 10.751 ( -2.743 0.000 -3.438) 4.399 10.964 ( -5.861 0.000 -2.824) 6.506 11.480 ( -3.567 0.000 2.816) 4.545 11.701 ( -1.058 0.000 4.947) 5.059 18.278 ( -5.014 0.000 0.122) 5.015 18.681 ( -2.179 0.000 -8.433) 8.710 18.942 ( -1.681 0.000 -2.408) 2.937 18.955 ( -9.981 0.000 3.367) 10.534 19.184 ( -12.149 0.000 2.390) 12.382 19.222 ( 5.643 0.000 10.193) 11.651 19.819 ( -1.990 0.000 0.544) 2.063 20.298 ( 0.340 0.000 -4.416) 4.429 20.675 ( -1.369 0.000 1.520) 2.046 20.929 ( 5.916 0.000 -1.881) 6.208 21.178 ( -2.322 0.000 -0.663) 2.415 21.285 ( 0.178 0.000 4.057) 4.061 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -20.591 0.000 7.013) 21.753 1.114 ( -21.690 0.000 5.613) 22.405 1.901 ( -25.147 0.000 14.093) 28.826 2.112 ( -8.524 0.000 12.227) 14.905 2.204 ( -3.243 0.000 4.693) 5.705 2.310 ( -4.541 0.000 4.461) 6.365 2.423 ( -1.153 0.000 -6.555) 6.655 2.581 ( 1.469 0.000 7.569) 7.710 2.868 ( -2.841 0.000 3.637) 4.615 2.968 ( 8.233 0.000 -12.658) 15.100 3.069 ( -2.414 0.000 -2.812) 3.706 3.266 ( -4.382 0.000 -3.598) 5.670 3.579 ( -1.460 0.000 1.175) 1.874 3.589 ( -0.927 0.000 0.742) 1.188 3.908 ( -2.688 0.000 -2.970) 4.006 4.198 ( 7.168 0.000 -4.411) 8.417 4.221 ( 1.845 0.000 0.182) 1.854 4.651 ( 4.291 0.000 6.312) 7.632 4.716 ( 6.937 0.000 -2.726) 7.453 4.874 ( 10.228 0.000 1.607) 10.353 4.908 ( -3.248 0.000 1.648) 3.642 5.044 ( -6.348 0.000 -0.054) 6.349 5.113 ( -8.084 0.000 -0.635) 8.109 5.158 ( 2.966 0.000 -3.792) 4.814 5.230 ( 2.423 0.000 3.014) 3.868 5.346 ( -0.916 0.000 3.765) 3.875 5.348 ( 11.750 0.000 1.283) 11.819 5.611 ( -1.505 0.000 -0.153) 1.512 5.641 ( -7.663 0.000 3.240) 8.319 5.747 ( 1.846 0.000 3.103) 3.611 5.809 ( 2.160 0.000 2.075) 2.996 5.896 ( -0.153 0.000 3.550) 3.554 5.975 ( 8.655 0.000 -5.199) 10.097 5.985 ( 0.138 0.000 8.436) 8.437 6.110 ( 0.066 0.000 -0.426) 0.431 6.254 ( -0.433 0.000 -4.703) 4.723 6.266 ( 0.434 0.000 -3.482) 3.509 6.479 ( 8.004 0.000 4.671) 9.267 6.486 ( 1.264 0.000 2.933) 3.194 6.749 ( 3.692 0.000 4.083) 5.505 7.071 ( 0.303 0.000 -2.417) 2.436 7.117 ( 0.678 0.000 -2.023) 2.133 7.248 ( 1.751 0.000 -4.266) 4.611 7.333 ( 0.690 0.000 0.646) 0.945 7.395 ( 2.941 0.000 -2.734) 4.016 7.557 ( 10.374 0.000 -1.533) 10.486 7.624 ( 1.044 0.000 -4.482) 4.602 7.846 ( -3.303 0.000 -5.169) 6.134 9.484 ( 0.150 0.000 -1.958) 1.964 9.612 ( -2.343 0.000 1.319) 2.689 9.673 ( -1.389 0.000 -1.821) 2.290 9.807 ( -1.720 0.000 3.057) 3.507 10.254 ( -1.427 0.000 -0.346) 1.468 10.298 ( -2.160 0.000 -5.225) 5.654 10.422 ( -6.355 0.000 8.458) 10.580 10.604 ( -0.986 0.000 4.554) 4.659 10.684 ( -3.479 0.000 -2.905) 4.532 10.815 ( -8.288 0.000 -2.627) 8.695 11.398 ( -4.552 0.000 3.333) 5.642 11.665 ( -2.714 0.000 4.911) 5.611 18.151 ( -7.023 0.000 -1.007) 7.095 18.573 ( -8.213 0.000 -5.905) 10.115 18.790 ( -5.014 0.000 -1.115) 5.137 18.797 ( -11.894 0.000 -0.776) 11.919 19.037 ( -1.978 0.000 -0.043) 1.979 19.372 ( 8.493 0.000 13.830) 16.230 19.765 ( -3.116 0.000 1.399) 3.416 20.303 ( 0.337 0.000 -7.702) 7.709 20.646 ( -1.452 0.000 1.256) 1.920 20.992 ( -1.023 0.000 -5.760) 5.850 21.152 ( -0.150 0.000 -0.220) 0.267 21.349 ( 6.763 0.000 7.610) 10.181 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -15.113 0.000 16.835) 22.623 0.673 ( -21.074 0.000 10.915) 23.733 1.315 ( -30.697 0.000 28.631) 41.977 2.010 ( -3.197 0.000 5.927) 6.734 2.141 ( -3.034 0.000 5.753) 6.504 2.261 ( -0.742 0.000 2.137) 2.262 2.403 ( -0.740 0.000 -8.690) 8.721 2.634 ( 3.365 0.000 6.676) 7.476 2.774 ( -5.162 0.000 0.962) 5.250 3.030 ( -0.968 0.000 -4.458) 4.562 3.110 ( 1.346 0.000 -0.462) 1.423 3.234 ( 5.204 0.000 -13.633) 14.592 3.561 ( -0.374 0.000 1.559) 1.604 3.608 ( 3.991 0.000 6.334) 7.486 3.863 ( -1.340 0.000 -3.150) 3.423 4.284 ( 4.047 0.000 0.550) 4.084 4.367 ( 9.703 0.000 -7.305) 12.146 4.669 ( -6.587 0.000 1.680) 6.798 4.825 ( 0.407 0.000 -6.460) 6.473 4.840 ( 1.308 0.000 4.473) 4.660 4.887 ( -4.821 0.000 -0.401) 4.838 4.947 ( -7.037 0.000 1.776) 7.257 5.064 ( 7.462 0.000 0.021) 7.462 5.232 ( -0.477 0.000 2.478) 2.523 5.286 ( 2.239 0.000 1.984) 2.991 5.309 ( 1.737 0.000 6.422) 6.653 5.514 ( -4.679 0.000 0.332) 4.691 5.540 ( -2.224 0.000 3.187) 3.886 5.623 ( 9.955 0.000 -0.483) 9.966 5.807 ( 2.897 0.000 1.048) 3.080 5.808 ( -3.430 0.000 4.776) 5.880 5.874 ( -2.451 0.000 1.972) 3.146 5.989 ( -3.470 0.000 3.004) 4.590 6.009 ( -2.092 0.000 -0.402) 2.131 6.084 ( -0.801 0.000 4.723) 4.790 6.283 ( 4.493 0.000 -2.584) 5.183 6.285 ( 2.496 0.000 -4.141) 4.835 6.506 ( 0.148 0.000 1.755) 1.761 6.629 ( 4.763 0.000 4.279) 6.403 6.808 ( 0.808 0.000 2.933) 3.042 7.081 ( 0.645 0.000 -0.657) 0.921 7.097 ( -1.396 0.000 -2.589) 2.941 7.285 ( 1.327 0.000 -6.682) 6.812 7.385 ( 3.592 0.000 2.773) 4.538 7.444 ( 0.805 0.000 -6.196) 6.248 7.663 ( 2.851 0.000 -4.037) 4.942 7.687 ( -0.333 0.000 -9.380) 9.386 7.860 ( 5.909 0.000 2.998) 6.626 9.481 ( -0.631 0.000 -0.769) 0.995 9.615 ( 3.229 0.000 -0.672) 3.298 9.619 ( -3.855 0.000 -4.812) 6.166 9.767 ( -3.457 0.000 0.222) 3.465 10.212 ( -2.912 0.000 -0.105) 2.914 10.251 ( -2.127 0.000 -3.292) 3.919 10.436 ( 7.205 0.000 9.443) 11.877 10.563 ( -5.608 0.000 -2.083) 5.982 10.670 ( 9.991 0.000 11.730) 15.408 10.674 ( -2.576 0.000 3.499) 4.345 11.311 ( -3.728 0.000 3.494) 5.110 11.603 ( -3.341 0.000 3.702) 4.987 18.018 ( -5.064 0.000 -1.301) 5.229 18.400 ( -6.756 0.000 -3.046) 7.411 18.576 ( -8.264 0.000 -0.028) 8.264 18.729 ( -1.726 0.000 -4.813) 5.113 19.024 ( 0.077 0.000 -0.946) 0.949 19.570 ( 7.838 0.000 7.207) 10.648 19.699 ( -3.417 0.000 0.617) 3.473 20.276 ( -3.990 0.000 -15.291) 15.803 20.621 ( -0.937 0.000 1.297) 1.599 20.842 ( -14.323 0.000 -7.091) 15.982 21.165 ( 1.123 0.000 0.560) 1.255 21.556 ( 11.303 0.000 3.944) 11.972 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -4.979 19.312 16.261) 25.732 0.779 ( -6.018 19.147 18.714) 27.442 1.086 ( -3.217 27.952 23.939) 36.942 1.779 ( -2.291 -15.593 8.716) 18.009 2.056 ( -0.053 -16.249 4.251) 16.796 2.245 ( 0.125 10.174 -2.313) 10.434 2.456 ( -2.336 5.028 -3.820) 6.732 2.661 ( -1.057 -4.132 3.341) 5.418 2.716 ( -1.361 -0.039 1.366) 1.929 3.019 ( 3.941 -0.391 -5.818) 7.038 3.190 ( 0.228 5.533 -0.604) 5.571 3.342 ( 5.129 -4.410 -7.327) 9.972 3.484 ( 0.691 -5.514 2.482) 6.087 3.614 ( -0.102 -3.580 5.009) 6.158 4.018 ( 1.274 6.722 -8.467) 10.885 4.345 ( 0.205 -10.107 -4.796) 11.189 4.384 ( 0.598 4.358 0.028) 4.399 4.637 ( 2.152 -2.143 1.068) 3.220 4.758 ( -1.257 4.746 -5.616) 7.459 4.893 ( 1.997 6.337 -0.875) 6.701 4.925 ( 2.651 2.792 2.823) 4.775 4.955 ( -3.257 2.935 -1.131) 4.527 5.124 ( -3.219 1.691 6.289) 7.265 5.193 ( 3.703 -2.392 0.456) 4.432 5.266 ( -5.037 0.869 5.778) 7.714 5.343 ( -0.199 -2.710 2.352) 3.594 5.420 ( 2.935 2.278 3.032) 4.795 5.579 ( -6.280 2.396 1.496) 6.886 5.637 ( -2.064 -8.441 0.729) 8.720 5.754 ( -0.038 0.064 -0.132) 0.152 5.768 ( 2.226 -2.357 1.806) 3.711 5.908 ( 0.326 0.246 2.224) 2.261 5.961 ( 2.767 4.080 1.838) 5.261 6.041 ( -1.826 3.142 1.568) 3.958 6.178 ( 1.082 5.425 6.233) 8.333 6.328 ( 1.163 -2.738 -1.110) 3.175 6.374 ( 3.896 0.403 -5.318) 6.605 6.524 ( 0.924 0.180 2.278) 2.465 6.618 ( -1.447 -3.045 0.152) 3.375 6.648 ( -2.622 -7.462 2.942) 8.439 7.097 ( 1.874 2.766 -1.910) 3.848 7.131 ( -0.582 2.943 0.034) 3.000 7.243 ( -4.214 0.331 -5.868) 7.232 7.397 ( -8.929 1.234 -4.521) 10.084 7.466 ( 3.959 0.974 3.317) 5.256 7.617 ( 1.354 -3.844 2.814) 4.952 7.713 ( 1.090 0.606 -2.250) 2.573 7.839 ( -5.713 -0.862 1.941) 6.095 9.494 ( 4.551 3.760 -1.073) 6.000 9.639 ( 1.541 4.210 -7.301) 8.568 9.720 ( -2.325 1.440 3.232) 4.234 9.746 ( -2.167 5.206 -1.895) 5.949 10.097 ( -1.144 -4.964 -0.813) 5.159 10.227 ( -1.158 -1.535 -4.332) 4.740 10.394 ( -5.633 -0.544 -5.572) 7.942 10.447 ( -2.432 -0.032 -4.527) 5.139 10.704 ( 4.234 1.204 7.160) 8.405 11.151 ( 13.225 -11.183 5.189) 18.080 11.385 ( 14.745 -6.084 10.076) 18.867 11.532 ( -0.513 -2.276 2.161) 3.180 17.945 ( -1.296 -1.434 0.821) 2.101 18.226 ( -10.427 -12.918 0.761) 16.618 18.385 ( -4.258 -0.801 1.572) 4.609 18.479 ( 0.207 -1.132 0.243) 1.176 18.876 ( -5.846 5.339 2.523) 8.309 19.337 ( -10.596 -2.846 -5.922) 12.468 19.748 ( -5.639 10.075 -5.107) 12.624 20.215 ( 0.730 -4.422 -11.242) 12.102 20.677 ( -1.446 6.223 2.193) 6.754 20.793 ( -4.344 12.246 -9.396) 16.035 21.226 ( 0.215 4.725 0.066) 4.731 21.578 ( -4.284 -4.759 -1.033) 6.486 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 5.818 17.018 12.201) 21.733 0.855 ( 12.586 12.369 16.310) 24.030 1.360 ( 21.246 24.916 14.667) 35.879 1.781 ( 2.274 -15.850 7.364) 17.624 2.025 ( -2.601 -17.729 4.119) 18.387 2.268 ( 1.861 11.001 -1.173) 11.219 2.425 ( 0.374 5.848 -3.910) 7.044 2.656 ( 0.667 -0.961 -3.080) 3.295 2.713 ( 0.601 -3.390 4.340) 5.540 3.105 ( 2.896 -0.122 -2.915) 4.111 3.136 ( -4.089 7.223 1.938) 8.523 3.406 ( 2.644 -5.623 -3.520) 7.141 3.513 ( 1.791 -4.151 2.285) 5.066 3.584 ( -1.162 -1.967 2.606) 3.466 3.978 ( -1.336 6.602 -4.315) 7.999 4.261 ( -5.248 -3.955 -1.758) 6.802 4.401 ( -3.356 2.832 -2.160) 4.894 4.636 ( -2.583 -2.982 -1.102) 4.096 4.747 ( 1.277 -0.699 -2.611) 2.989 4.823 ( -4.706 -1.634 1.576) 5.225 4.979 ( -0.360 -1.858 2.523) 3.153 5.074 ( 1.803 4.416 2.272) 5.283 5.118 ( 8.465 5.085 -3.202) 10.381 5.164 ( -0.880 1.892 0.180) 2.095 5.196 ( -8.615 0.575 4.733) 9.846 5.306 ( 1.681 -0.430 1.595) 2.357 5.440 ( -1.626 2.253 5.896) 6.517 5.553 ( 3.500 1.243 -2.473) 4.462 5.571 ( -3.687 -5.127 1.678) 6.535 5.720 ( -4.378 6.225 -0.571) 7.632 5.861 ( -0.838 -1.656 2.858) 3.408 5.913 ( 5.829 -5.361 1.361) 8.035 5.982 ( -1.264 -0.332 4.179) 4.378 6.063 ( 3.167 -1.612 1.003) 3.693 6.200 ( 1.307 2.838 6.451) 7.167 6.303 ( -2.636 -1.966 -0.451) 3.320 6.445 ( -1.286 -6.177 -2.043) 6.632 6.472 ( -1.215 3.643 2.328) 4.491 6.523 ( -8.022 -2.438 -0.940) 8.437 6.723 ( 6.765 -2.618 -6.316) 9.618 6.991 ( -10.005 4.063 -1.022) 10.847 7.140 ( 0.778 2.954 -0.193) 3.061 7.174 ( -1.943 2.286 -3.441) 4.566 7.263 ( -1.399 -0.930 -2.764) 3.234 7.522 ( 1.071 2.299 3.103) 4.007 7.570 ( -6.673 2.552 1.215) 7.247 7.695 ( -2.290 -0.944 -1.921) 3.135 7.772 ( 1.121 -2.571 -2.615) 3.834 9.530 ( -1.961 4.079 1.509) 4.771 9.624 ( 2.305 7.253 -2.712) 8.079 9.733 ( -1.287 0.010 3.578) 3.803 9.757 ( 3.717 1.925 1.535) 4.458 10.110 ( 2.411 -5.283 -1.827) 6.088 10.239 ( 1.736 -4.917 -5.766) 7.774 10.343 ( 1.594 2.805 -4.691) 5.693 10.433 ( 1.583 0.153 -5.811) 6.025 10.793 ( 4.278 2.026 4.659) 6.641 11.182 ( -2.836 -3.757 2.400) 5.284 11.517 ( 0.807 -4.954 5.327) 7.319 11.594 ( -3.061 -12.054 16.083) 20.331 17.972 ( 7.802 2.182 -2.045) 8.356 18.167 ( 7.097 1.989 -3.943) 8.359 18.453 ( 8.424 1.439 -0.190) 8.548 18.581 ( 9.150 -0.803 0.691) 9.211 18.796 ( -1.423 5.835 -1.607) 6.218 19.167 ( -4.833 2.470 -3.942) 6.708 19.648 ( -3.086 10.315 -6.448) 12.550 20.231 ( 0.598 -7.602 -9.465) 12.155 20.670 ( 0.830 5.283 0.476) 5.369 20.747 ( -0.499 7.896 -6.625) 10.320 21.222 ( -0.392 2.691 0.713) 2.812 21.435 ( -7.241 -1.931 3.211) 8.153 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 22.730 3.581 0.107) 23.010 1.206 ( 19.376 6.659 12.163) 23.827 1.801 ( 15.852 7.170 7.153) 18.811 1.907 ( 11.625 -5.593 7.135) 14.742 2.002 ( 2.642 -14.292 3.698) 14.997 2.311 ( 2.554 11.436 0.733) 11.740 2.466 ( 3.243 7.352 -3.325) 8.696 2.676 ( 1.283 -0.493 -4.832) 5.024 2.732 ( 0.303 -0.010 4.428) 4.438 3.021 ( -3.601 -1.008 3.088) 4.850 3.194 ( 3.122 5.143 -2.605) 6.557 3.437 ( 0.265 -2.038 -0.429) 2.100 3.575 ( 4.088 -6.136 2.253) 7.709 3.594 ( 1.906 -3.493 0.983) 4.099 3.978 ( 0.558 3.871 -1.848) 4.325 4.146 ( -6.030 -2.162 -2.669) 6.939 4.309 ( -3.141 5.624 0.771) 6.488 4.560 ( -4.205 -0.872 -0.691) 4.350 4.643 ( -7.239 0.086 -1.243) 7.346 4.859 ( -2.826 -5.786 2.723) 6.991 4.912 ( -2.134 -3.200 0.118) 3.848 4.990 ( -6.763 -5.378 3.615) 9.366 5.081 ( 0.916 4.482 1.354) 4.771 5.154 ( -2.182 1.983 -5.535) 6.271 5.287 ( 2.139 1.915 2.643) 3.903 5.326 ( -0.395 5.105 -0.300) 5.129 5.432 ( 1.421 4.526 3.672) 5.999 5.499 ( -0.088 -2.205 2.161) 3.089 5.645 ( 4.171 -1.091 -4.086) 5.939 5.649 ( -1.523 5.452 0.949) 5.740 5.830 ( -1.997 -2.222 3.387) 4.517 5.938 ( -2.679 -0.532 3.831) 4.706 6.022 ( 2.557 1.290 0.035) 2.864 6.090 ( -0.053 -6.673 4.432) 8.011 6.178 ( -7.085 -2.499 1.850) 7.737 6.258 ( -0.204 -4.291 -0.499) 4.325 6.311 ( -5.999 -1.088 2.163) 6.469 6.365 ( -5.162 -2.257 -1.262) 5.774 6.551 ( 3.962 4.524 2.701) 6.592 6.674 ( -8.661 8.530 -1.561) 12.256 6.915 ( 0.433 -4.541 -7.330) 8.634 7.148 ( -0.625 0.197 -7.557) 7.586 7.163 ( 2.614 -1.870 1.151) 3.414 7.283 ( 1.427 -1.503 -1.362) 2.480 7.427 ( -5.792 3.243 -0.959) 6.708 7.518 ( -2.057 2.764 3.443) 4.871 7.647 ( -1.396 -1.505 -2.735) 3.420 7.813 ( 2.366 -2.706 -4.624) 5.857 9.501 ( -0.796 0.510 3.671) 3.791 9.626 ( -2.380 0.381 4.254) 4.890 9.750 ( 3.146 5.783 -0.646) 6.615 9.851 ( 5.034 2.123 1.052) 5.563 10.167 ( 2.597 -4.657 -1.008) 5.427 10.260 ( 1.330 -4.078 -7.356) 8.516 10.440 ( 6.453 2.942 -3.864) 8.077 10.504 ( 5.520 0.367 -6.771) 8.744 10.882 ( 4.017 0.877 2.451) 4.786 11.082 ( -6.367 -2.257 9.876) 11.965 11.503 ( -1.011 -1.657 12.413) 12.564 11.584 ( 2.252 -1.547 2.056) 3.419 18.180 ( 9.583 0.024 -1.882) 9.766 18.369 ( 10.534 2.700 -8.462) 13.779 18.663 ( 10.192 0.051 -0.491) 10.204 18.826 ( 13.398 -0.619 0.544) 13.423 18.827 ( 5.761 3.505 -1.658) 6.944 19.106 ( -1.377 -0.386 -0.766) 1.623 19.624 ( 1.284 9.048 -7.847) 12.045 20.223 ( -0.621 -7.246 -7.870) 10.716 20.684 ( 0.252 2.894 0.997) 3.071 20.746 ( 0.301 2.190 -6.401) 6.771 21.219 ( 0.250 1.448 0.976) 1.764 21.324 ( -3.640 -0.995 3.739) 5.312 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 21.995 -1.107 -2.357) 22.149 1.610 ( 18.755 3.692 9.969) 21.558 2.007 ( 8.108 -8.975 3.883) 12.703 2.037 ( 5.905 -12.747 2.138) 14.210 2.283 ( 10.826 10.034 1.919) 14.885 2.403 ( 9.244 7.285 2.114) 11.958 2.537 ( 3.766 8.986 -0.468) 9.754 2.702 ( 0.979 -0.704 -3.514) 3.715 2.714 ( -1.410 3.846 3.914) 5.665 2.988 ( -0.711 -4.663 0.713) 4.771 3.225 ( 0.126 6.058 1.422) 6.224 3.446 ( 1.098 -0.986 1.499) 2.103 3.609 ( -0.005 -3.263 4.498) 5.557 3.676 ( 3.709 -4.974 0.006) 6.205 3.960 ( -3.002 0.836 -1.818) 3.608 4.039 ( -3.356 -0.660 -0.817) 3.516 4.290 ( 0.627 3.419 0.772) 3.561 4.473 ( -4.682 -1.849 -3.328) 6.035 4.536 ( -2.250 3.297 1.938) 4.437 4.680 ( -8.954 -0.926 2.929) 9.466 4.818 ( -8.438 -4.710 1.219) 9.740 4.928 ( -1.506 -1.364 -1.575) 2.571 5.070 ( -4.059 0.342 0.938) 4.180 5.131 ( 0.612 2.406 -4.491) 5.132 5.264 ( -2.907 2.167 0.653) 3.684 5.339 ( 4.018 -2.364 0.315) 4.672 5.487 ( 3.073 1.821 1.449) 3.855 5.534 ( 1.527 0.771 1.676) 2.395 5.632 ( -1.406 0.727 0.083) 1.585 5.696 ( -0.213 -0.648 -0.894) 1.125 5.794 ( -1.290 -2.494 2.585) 3.816 5.842 ( -6.188 -1.709 2.684) 6.959 6.032 ( -2.062 2.984 3.116) 4.782 6.042 ( -1.617 1.638 2.381) 3.312 6.093 ( -3.092 -1.832 -3.789) 5.223 6.167 ( -1.953 1.060 1.868) 2.902 6.276 ( -2.959 -1.467 1.958) 3.839 6.339 ( 1.677 -6.276 0.401) 6.509 6.489 ( -5.945 7.332 -2.851) 9.861 6.645 ( 2.474 6.059 4.489) 7.936 6.911 ( 0.530 -5.198 -4.597) 6.959 7.116 ( -1.937 0.561 -5.060) 5.447 7.234 ( 2.879 -4.469 -2.825) 6.020 7.265 ( -3.469 -2.450 0.509) 4.278 7.353 ( -1.297 2.071 0.767) 2.561 7.485 ( -0.375 0.357 2.191) 2.251 7.639 ( 0.425 1.363 -3.718) 3.983 7.859 ( 2.506 -2.828 -6.377) 7.413 9.496 ( -0.049 -2.346 4.096) 4.721 9.579 ( -2.070 -1.458 4.099) 4.818 9.818 ( 3.166 6.281 -0.584) 7.058 9.950 ( 4.378 2.402 0.435) 5.013 10.192 ( -0.043 -4.539 -0.881) 4.623 10.308 ( 3.685 -1.993 -8.324) 9.319 10.559 ( 5.167 2.819 -3.284) 6.741 10.631 ( 6.691 1.006 -6.080) 9.097 10.930 ( -1.493 -0.717 7.531) 7.711 10.998 ( -0.149 0.643 5.173) 5.215 11.521 ( 1.547 0.650 5.909) 6.143 11.633 ( 2.074 -1.649 2.135) 3.403 18.324 ( 4.679 0.168 1.404) 4.888 18.531 ( 5.690 1.787 -6.739) 8.999 18.804 ( 4.803 -0.367 -2.595) 5.471 18.986 ( 4.858 0.291 -1.388) 5.061 19.057 ( 8.596 1.911 0.873) 8.849 19.181 ( 11.062 -1.861 3.213) 11.668 19.685 ( 4.645 6.968 -7.508) 11.247 20.207 ( -0.298 -6.073 -6.535) 8.927 20.685 ( -0.104 0.651 0.861) 1.084 20.736 ( -0.853 0.094 -4.054) 4.143 21.237 ( 1.403 1.039 0.787) 1.915 21.291 ( -0.095 -0.086 2.683) 2.687 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 13.099 -1.168 -1.049) 13.193 1.949 ( 13.072 2.246 8.722) 15.875 2.164 ( 6.406 -5.381 2.586) 8.757 2.183 ( 8.011 -8.898 -0.328) 11.977 2.372 ( 1.474 3.617 -1.514) 4.189 2.577 ( 3.785 6.167 -2.340) 7.604 2.632 ( 4.390 4.718 3.587) 7.376 2.660 ( -2.444 1.225 1.448) 3.094 2.762 ( 4.060 2.998 1.865) 5.380 2.949 ( -3.673 -2.255 0.423) 4.331 3.234 ( 1.458 3.539 4.093) 5.604 3.472 ( 0.194 -1.750 2.538) 3.088 3.597 ( -0.491 0.804 4.740) 4.833 3.705 ( -1.112 -2.425 1.665) 3.145 3.889 ( -2.367 0.111 -1.614) 2.867 3.992 ( -2.154 -1.740 -0.034) 2.769 4.320 ( 1.947 1.651 0.467) 2.595 4.397 ( -2.095 -2.508 -0.908) 3.391 4.485 ( -3.673 -0.624 1.823) 4.148 4.557 ( -4.201 0.094 1.168) 4.362 4.700 ( -0.952 0.207 -0.287) 1.016 4.901 ( -0.996 -1.655 -0.529) 2.003 4.972 ( -3.625 1.466 0.286) 3.921 5.147 ( 1.123 1.101 -2.410) 2.878 5.208 ( -1.847 1.624 -0.396) 2.491 5.403 ( 0.466 -2.802 -8.129) 8.611 5.504 ( -5.746 2.154 0.690) 6.175 5.555 ( 1.851 -2.407 1.543) 3.406 5.615 ( 2.100 -1.564 3.750) 4.573 5.672 ( -0.518 -1.031 1.628) 1.995 5.732 ( -3.691 -0.198 2.182) 4.292 5.780 ( 0.213 -2.307 -0.880) 2.479 5.960 ( -5.032 -1.292 7.007) 8.723 6.013 ( -2.655 4.351 0.755) 5.152 6.086 ( 4.128 6.688 -2.255) 8.176 6.191 ( 1.873 3.751 2.056) 4.670 6.212 ( -2.267 4.068 -0.487) 4.682 6.342 ( -1.852 -5.196 2.106) 5.905 6.427 ( -0.465 1.002 -4.215) 4.357 6.677 ( 0.746 2.100 2.810) 3.586 6.952 ( 3.490 -4.028 -1.004) 5.423 7.072 ( -1.934 -2.474 -2.564) 4.054 7.174 ( -4.812 -2.738 1.500) 5.736 7.247 ( -0.929 -0.908 -5.366) 5.521 7.364 ( 1.493 0.608 2.808) 3.237 7.497 ( 0.746 -1.771 0.227) 1.936 7.649 ( 0.621 3.832 -3.866) 5.479 7.904 ( 2.126 -3.395 -6.789) 7.883 9.498 ( -0.096 -4.494 3.732) 5.843 9.547 ( -1.359 -2.362 3.055) 4.093 9.873 ( 2.197 5.613 -0.970) 6.105 10.018 ( 2.057 4.584 0.483) 5.048 10.183 ( -0.375 -5.521 -2.324) 6.002 10.380 ( 3.583 0.001 -8.021) 8.785 10.641 ( 2.895 2.632 -1.871) 4.337 10.746 ( 4.638 1.462 -4.903) 6.906 10.872 ( -3.346 1.552 10.836) 11.447 11.033 ( 1.678 -1.631 -0.170) 2.346 11.554 ( 1.167 0.800 3.210) 3.508 11.666 ( 1.013 -1.643 2.700) 3.320 18.382 ( 1.127 0.294 2.073) 2.378 18.601 ( 1.863 -1.380 -3.618) 4.297 18.887 ( 3.673 0.512 -2.597) 4.527 19.025 ( 1.845 2.242 -2.754) 4.002 19.226 ( 5.771 1.555 3.833) 7.100 19.400 ( 7.990 -2.332 3.859) 9.174 19.780 ( 4.546 5.163 -5.892) 9.057 20.208 ( 0.677 -5.352 -5.275) 7.545 20.684 ( 0.177 -0.600 -0.391) 0.738 20.722 ( -0.185 -0.023 -0.514) 0.547 21.269 ( 1.440 0.949 0.352) 1.760 21.304 ( 0.763 0.516 1.893) 2.106 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -2.568 -0.470 0.395) 2.640 2.099 ( 0.442 3.000 7.658) 8.236 2.251 ( 2.644 -3.553 3.067) 5.387 2.347 ( 0.057 2.793 -1.337) 3.098 2.360 ( 3.631 -9.803 -3.088) 10.900 2.588 ( -1.595 3.798 -3.884) 5.661 2.626 ( -0.910 2.574 2.021) 3.397 2.700 ( 2.331 3.974 3.903) 6.038 2.824 ( -0.169 -1.614 6.473) 6.673 2.876 ( -0.612 5.379 -1.546) 5.630 3.291 ( 3.224 -2.167 3.014) 4.917 3.427 ( -4.651 -5.829 5.369) 9.189 3.593 ( -1.585 2.371 3.354) 4.402 3.666 ( -1.356 2.851 1.971) 3.722 3.889 ( 2.452 -0.087 -0.602) 2.526 3.952 ( -0.994 -0.961 -0.716) 1.557 4.325 ( -2.330 2.059 -1.039) 3.278 4.389 ( 1.737 -1.961 0.848) 2.754 4.463 ( 1.736 -2.898 2.499) 4.202 4.507 ( 0.238 -1.396 0.602) 1.538 4.716 ( 0.574 1.486 2.004) 2.560 4.903 ( 1.496 -3.821 -1.163) 4.266 4.960 ( 2.277 0.216 0.864) 2.445 5.166 ( 0.943 -2.785 -0.177) 2.946 5.207 ( 0.546 2.849 -2.991) 4.167 5.346 ( -3.066 1.499 -6.352) 7.211 5.412 ( -2.943 6.594 -2.676) 7.701 5.531 ( -1.524 -4.199 -1.560) 4.732 5.629 ( -1.219 -2.196 0.358) 2.538 5.661 ( 0.034 -1.803 1.448) 2.313 5.746 ( 1.205 1.885 4.098) 4.669 5.833 ( 4.898 -1.752 1.016) 5.300 5.893 ( -1.856 -4.981 7.621) 9.292 5.966 ( -1.028 8.563 2.073) 8.870 6.168 ( 3.530 5.238 -2.416) 6.762 6.175 ( -1.619 7.123 -1.652) 7.489 6.225 ( 0.205 4.694 4.111) 6.243 6.307 ( -0.222 -3.011 -0.448) 3.053 6.414 ( -1.012 -1.133 -1.578) 2.190 6.690 ( 0.410 -1.229 1.270) 1.814 7.034 ( 0.712 -5.311 2.249) 5.811 7.041 ( 2.560 -3.682 -2.239) 5.012 7.090 ( -3.009 -2.427 0.348) 3.882 7.213 ( -1.819 -0.419 -5.058) 5.392 7.392 ( 0.945 1.590 2.315) 2.963 7.498 ( -0.724 -1.606 -1.464) 2.291 7.656 ( 0.224 4.471 -3.580) 5.732 7.931 ( 0.769 -3.835 -6.129) 7.270 9.494 ( -0.569 -5.647 3.007) 6.423 9.524 ( -1.220 -3.418 2.255) 4.273 9.905 ( 0.941 4.295 -1.782) 4.744 10.031 ( -0.597 8.907 0.934) 8.976 10.182 ( 0.318 -7.012 -3.263) 7.741 10.434 ( 2.023 1.584 -7.789) 8.202 10.671 ( 0.215 1.826 0.233) 1.853 10.801 ( -1.217 0.677 4.635) 4.840 10.816 ( -0.883 3.389 1.161) 3.690 11.049 ( -0.227 -2.842 -1.202) 3.094 11.566 ( -0.162 0.880 2.201) 2.375 11.681 ( 0.323 -1.758 3.330) 3.779 18.381 ( -1.094 0.015 1.659) 1.987 18.615 ( -0.111 -5.301 -2.765) 5.980 18.951 ( 2.777 2.987 -2.919) 5.015 19.080 ( 3.595 3.526 0.473) 5.058 19.273 ( -1.380 1.906 3.838) 4.502 19.481 ( -0.397 -2.645 3.478) 4.388 19.849 ( 2.399 4.095 -3.853) 6.113 20.225 ( 1.111 -5.064 -4.071) 6.592 20.697 ( 0.782 -0.556 0.720) 1.200 20.730 ( 1.304 -0.401 0.005) 1.364 21.282 ( -0.443 1.093 -0.065) 1.181 21.313 ( -0.028 0.762 1.771) 1.928 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -14.513 -0.965 0.917) 14.574 1.999 ( -10.305 8.028 6.186) 14.453 2.207 ( -7.197 -11.506 4.009) 14.152 2.266 ( -3.928 -0.527 3.716) 5.433 2.447 ( 1.087 0.522 -0.426) 1.279 2.560 ( -0.548 0.841 -6.445) 6.523 2.595 ( -2.370 3.434 1.543) 4.449 2.705 ( -1.911 3.430 3.103) 5.005 2.801 ( -0.731 3.448 3.407) 4.902 2.921 ( 2.483 2.517 2.665) 4.428 3.280 ( -7.437 -1.939 6.969) 10.375 3.349 ( -0.373 -7.608 -0.850) 7.664 3.558 ( -1.204 0.698 3.415) 3.688 3.647 ( -1.320 1.646 0.119) 2.113 3.955 ( 2.585 0.097 -0.883) 2.733 3.975 ( 3.811 -0.337 -1.274) 4.033 4.272 ( -2.081 3.025 -1.717) 4.053 4.472 ( 5.843 -1.230 2.527) 6.484 4.497 ( 2.573 -1.097 0.780) 2.904 4.567 ( 3.128 -1.653 2.623) 4.404 4.738 ( 2.714 -0.854 2.300) 3.659 4.946 ( 2.274 -3.837 0.761) 4.525 5.027 ( 3.806 -0.345 2.169) 4.394 5.184 ( 0.522 2.200 -2.919) 3.692 5.226 ( 2.456 -2.413 -0.029) 3.443 5.251 ( -4.001 1.889 -7.510) 8.717 5.463 ( 1.041 -2.405 -2.867) 3.884 5.500 ( 2.343 2.709 -1.497) 3.881 5.631 ( 1.892 -0.469 1.876) 2.705 5.676 ( 1.838 -1.565 0.465) 2.458 5.744 ( -0.770 -1.601 2.704) 3.235 5.872 ( -0.206 -1.770 5.882) 6.146 5.932 ( 3.526 2.497 4.656) 6.352 5.992 ( 2.498 7.658 1.515) 8.196 6.115 ( -4.580 7.521 0.823) 8.844 6.186 ( -1.623 0.205 -2.419) 2.921 6.244 ( 3.061 2.717 -2.536) 4.815 6.351 ( 3.630 3.702 0.290) 5.193 6.397 ( -0.195 -2.756 1.801) 3.298 6.689 ( -0.753 -2.169 1.937) 3.004 7.005 ( -1.092 -5.672 -0.175) 5.779 7.066 ( 0.568 -2.478 -1.949) 3.203 7.149 ( 5.661 -4.313 0.200) 7.120 7.171 ( -1.718 -1.185 -3.125) 3.758 7.407 ( 0.498 2.306 1.848) 2.997 7.469 ( -1.719 0.426 -2.547) 3.102 7.650 ( -0.706 3.457 -3.770) 5.163 7.924 ( -1.100 -3.899 -5.351) 6.711 9.479 ( -0.964 -5.982 2.186) 6.441 9.497 ( -1.497 -4.101 1.524) 4.624 9.903 ( -1.026 2.395 -1.669) 3.094 10.012 ( -1.084 12.986 0.178) 13.033 10.183 ( -0.054 -7.219 -3.049) 7.837 10.449 ( -0.136 2.944 -7.315) 7.886 10.654 ( -1.883 0.465 2.140) 2.889 10.725 ( -4.890 2.537 8.659) 10.263 10.809 ( -1.355 1.681 -3.506) 4.117 11.017 ( -2.900 -3.421 -1.813) 4.837 11.548 ( -1.710 1.248 2.209) 3.059 11.685 ( -0.135 -2.075 3.997) 4.506 18.343 ( -2.745 -0.495 0.823) 2.909 18.598 ( -1.307 -8.241 -3.553) 9.069 18.991 ( 0.901 4.818 -2.314) 5.421 19.163 ( 2.673 4.942 5.600) 7.933 19.188 ( -5.077 1.445 1.223) 5.418 19.388 ( -8.572 -2.422 2.988) 9.396 19.874 ( 0.281 3.745 -2.021) 4.265 20.242 ( 0.681 -4.862 -3.518) 6.040 20.701 ( -0.307 0.405 1.662) 1.738 20.790 ( 4.399 -1.788 -0.310) 4.759 21.252 ( -2.246 1.661 -0.326) 2.812 21.305 ( -0.853 0.707 2.231) 2.491 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -18.223 0.870 3.099) 18.505 1.713 ( -17.277 11.265 7.050) 21.797 2.070 ( -5.822 -14.946 5.503) 16.957 2.137 ( -8.622 -4.646 6.526) 11.769 2.409 ( -4.219 4.459 1.240) 6.262 2.460 ( -11.608 3.955 7.974) 14.628 2.566 ( -1.228 4.545 -3.376) 5.794 2.657 ( -1.312 3.502 1.335) 3.972 2.813 ( 2.565 3.351 -0.331) 4.233 2.941 ( -0.786 0.241 1.232) 1.481 3.145 ( -4.744 0.097 2.471) 5.349 3.313 ( -2.891 -4.774 -2.747) 6.220 3.542 ( -0.927 -3.525 1.391) 3.901 3.603 ( -2.940 -1.593 -0.028) 3.343 3.988 ( 0.464 2.114 -3.009) 3.706 4.068 ( 4.862 -0.709 -1.615) 5.172 4.249 ( 0.128 4.132 -1.077) 4.272 4.573 ( 5.569 -0.806 -1.476) 5.817 4.596 ( 2.633 0.849 3.450) 4.422 4.649 ( 8.460 -0.760 4.615) 9.667 4.812 ( 2.094 -7.312 1.826) 7.822 5.013 ( 5.021 -4.478 2.030) 7.028 5.115 ( 2.337 -0.372 -3.146) 3.936 5.158 ( -0.150 1.164 -1.884) 2.219 5.209 ( 0.221 4.404 -0.828) 4.487 5.315 ( 3.477 0.395 2.724) 4.435 5.364 ( -4.473 -1.549 -0.470) 4.758 5.618 ( 2.684 -0.242 -3.218) 4.198 5.711 ( 3.574 0.393 1.442) 3.874 5.719 ( 3.061 -0.579 1.631) 3.516 5.760 ( 4.373 -2.109 1.447) 5.067 5.879 ( 0.597 -0.720 5.201) 5.284 5.919 ( -7.847 5.535 5.234) 10.936 6.035 ( 1.616 4.857 2.374) 5.642 6.083 ( 4.632 5.771 0.365) 7.409 6.167 ( 0.158 -1.894 -4.639) 5.013 6.296 ( 1.489 3.528 -3.941) 5.495 6.414 ( 1.408 -4.195 1.953) 4.837 6.433 ( 4.133 4.169 2.818) 6.512 6.672 ( -0.364 -3.263 3.084) 4.504 7.011 ( 1.787 -3.909 -0.470) 4.324 7.079 ( -0.426 -1.972 -4.540) 4.968 7.153 ( 2.008 -3.098 -3.068) 4.801 7.274 ( 5.293 -2.892 2.457) 6.512 7.417 ( 0.602 2.378 1.161) 2.714 7.451 ( 1.254 1.881 -2.629) 3.467 7.626 ( -1.139 1.901 -4.255) 4.798 7.881 ( -2.752 -3.565 -4.862) 6.627 9.458 ( -1.486 -7.451 2.649) 8.046 9.469 ( -0.807 -2.261 -0.766) 2.520 9.866 ( -2.410 2.398 -0.601) 3.452 9.988 ( -1.297 13.907 -1.483) 14.046 10.178 ( -0.175 -5.994 -2.201) 6.388 10.420 ( -2.344 3.620 -5.966) 7.361 10.584 ( -5.805 1.184 4.368) 7.361 10.641 ( -2.773 1.283 6.330) 7.028 10.757 ( -3.444 0.611 -3.085) 4.664 10.926 ( -5.862 -3.583 -2.268) 7.234 11.500 ( -3.189 1.888 2.770) 4.626 11.676 ( -1.186 -2.425 4.565) 5.303 18.267 ( -4.925 -0.650 -0.217) 4.972 18.558 ( -2.514 -10.161 -4.603) 11.435 18.926 ( -9.045 2.403 0.690) 9.384 19.054 ( -4.666 5.445 -0.423) 7.184 19.147 ( -11.227 -2.330 2.372) 11.709 19.287 ( 4.635 2.803 6.985) 8.839 19.861 ( -1.263 4.560 -0.479) 4.756 20.249 ( 0.369 -4.621 -4.461) 6.434 20.694 ( -0.431 1.827 1.384) 2.332 20.893 ( 5.147 -3.289 -1.168) 6.219 21.208 ( -1.525 2.626 -0.259) 3.048 21.292 ( 0.009 0.486 3.770) 3.801 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -16.556 6.217 8.506) 19.624 1.338 ( -19.330 14.042 9.372) 25.664 1.926 ( -14.719 -2.167 8.610) 17.189 1.980 ( -4.731 -14.528 8.419) 17.445 2.120 ( -15.485 0.389 13.750) 20.712 2.332 ( -3.936 8.317 1.755) 9.367 2.526 ( -1.758 5.613 -4.655) 7.501 2.668 ( 1.067 3.871 4.165) 5.785 2.853 ( -2.115 -1.081 3.098) 3.904 2.938 ( 3.046 -1.996 -5.785) 6.836 3.096 ( 0.474 1.916 -5.337) 5.690 3.245 ( -3.199 -2.165 -4.391) 5.849 3.522 ( -1.169 -5.209 1.322) 5.499 3.543 ( -1.885 -3.401 1.166) 4.059 3.970 ( -1.434 4.658 -4.213) 6.442 4.165 ( 4.605 -2.474 -3.418) 6.245 4.288 ( 4.170 5.725 -0.793) 7.127 4.664 ( 4.079 1.091 4.570) 6.222 4.695 ( 4.343 -1.867 -3.960) 6.167 4.794 ( -2.362 -7.263 2.423) 8.012 4.847 ( 9.857 -2.774 2.735) 10.599 5.042 ( -2.776 -5.727 0.497) 6.384 5.125 ( -0.117 2.135 -1.423) 2.569 5.204 ( 4.194 3.578 3.076) 6.313 5.239 ( -4.745 5.284 0.840) 7.151 5.288 ( 4.288 -0.593 0.095) 4.330 5.422 ( 5.706 0.485 1.417) 5.899 5.619 ( -6.409 1.908 1.832) 6.933 5.686 ( -0.909 2.220 1.332) 2.744 5.760 ( -1.461 1.341 4.743) 5.141 5.799 ( 2.207 -1.397 2.029) 3.307 5.893 ( 0.224 -0.215 3.770) 3.783 5.945 ( 7.940 -2.579 -4.300) 9.391 6.048 ( 0.901 5.468 6.225) 8.334 6.145 ( -0.304 0.915 -2.269) 2.466 6.184 ( -1.267 -1.380 0.125) 1.878 6.315 ( 2.660 3.767 -5.320) 7.041 6.448 ( 2.324 -2.923 1.904) 4.191 6.523 ( 4.313 1.593 4.038) 6.119 6.694 ( 1.706 -6.066 1.838) 6.564 7.049 ( -0.775 -3.356 -2.411) 4.204 7.069 ( 2.839 -0.648 -0.033) 2.912 7.237 ( 4.970 0.081 -5.034) 7.075 7.330 ( 1.160 0.009 0.753) 1.383 7.442 ( 1.741 1.723 0.314) 2.470 7.559 ( 7.983 -0.508 -0.297) 8.004 7.613 ( 0.703 0.006 -4.172) 4.231 7.817 ( -2.651 -2.687 -3.468) 5.126 9.427 ( -1.298 -5.203 1.569) 5.587 9.476 ( 1.663 -2.434 -1.974) 3.547 9.811 ( -2.876 3.386 0.447) 4.465 9.957 ( -1.675 11.631 -4.503) 12.584 10.175 ( -0.241 -3.654 -1.934) 4.141 10.355 ( -3.376 2.954 -3.030) 5.413 10.462 ( -4.944 3.289 7.003) 9.182 10.609 ( -1.305 0.374 5.081) 5.260 10.676 ( -3.912 -0.715 -3.070) 5.024 10.782 ( -7.584 -3.131 -1.962) 8.436 11.425 ( -4.161 2.632 3.213) 5.879 11.639 ( -2.724 -2.614 4.538) 5.903 18.143 ( -6.870 -0.369 -1.061) 6.961 18.482 ( -4.959 -10.423 -5.160) 12.643 18.704 ( -10.827 -0.948 1.038) 10.918 18.834 ( -13.171 -0.749 0.465) 13.201 19.043 ( -2.415 3.426 1.285) 4.384 19.398 ( 5.013 -1.232 7.528) 9.128 19.831 ( -1.346 6.710 0.211) 6.847 20.251 ( 0.044 -4.817 -6.917) 8.429 20.689 ( -0.026 3.952 0.769) 4.026 20.960 ( 0.796 -3.062 -4.050) 5.140 21.197 ( 0.216 3.857 0.085) 3.864 21.347 ( 5.879 -0.388 6.183) 8.541 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -7.311 15.178 16.289) 23.434 0.972 ( -16.036 18.802 12.551) 27.716 1.470 ( -26.393 16.126 21.082) 37.431 1.856 ( -5.800 -12.885 10.561) 17.641 2.032 ( 0.965 -15.957 5.112) 16.784 2.268 ( -2.237 9.965 -0.615) 10.232 2.495 ( -1.229 5.420 -4.903) 7.411 2.678 ( -0.552 0.035 6.179) 6.203 2.776 ( -4.179 0.255 1.561) 4.468 2.973 ( 0.918 -3.424 -4.142) 5.452 3.172 ( 2.854 3.992 -1.608) 5.164 3.216 ( 4.244 -1.865 -12.918) 13.725 3.488 ( -1.309 -5.926 3.646) 7.080 3.565 ( 2.982 -3.185 2.921) 5.251 3.959 ( 1.554 6.489 -5.664) 8.752 4.253 ( 4.729 -4.854 -3.290) 7.533 4.402 ( 4.714 5.317 -2.673) 7.592 4.621 ( -4.470 -2.527 -1.556) 5.365 4.762 ( 2.030 -2.250 2.066) 3.668 4.835 ( 3.916 0.057 1.896) 4.351 4.979 ( -1.431 2.157 -0.419) 2.623 5.032 ( -7.042 5.819 -0.257) 9.139 5.053 ( 7.294 -1.485 1.267) 7.551 5.186 ( -0.907 0.914 -1.556) 2.020 5.285 ( 3.255 0.332 5.692) 6.565 5.356 ( 2.618 1.479 2.524) 3.926 5.418 ( -9.621 -0.395 6.317) 11.516 5.570 ( 6.917 -3.678 1.060) 7.906 5.684 ( -2.292 -0.630 0.520) 2.434 5.751 ( 0.093 2.629 1.547) 3.052 5.851 ( 0.889 1.709 0.755) 2.069 5.879 ( -2.699 -3.838 2.454) 5.295 5.951 ( -3.521 -0.438 1.712) 3.940 6.072 ( -0.418 5.490 3.689) 6.628 6.154 ( 0.031 5.685 2.572) 6.239 6.208 ( 7.402 -3.911 -2.868) 8.849 6.350 ( 0.810 2.424 -4.442) 5.124 6.506 ( 1.857 0.019 0.337) 1.888 6.604 ( 3.003 -2.396 3.220) 5.013 6.699 ( -1.755 -9.948 2.859) 10.498 7.053 ( 1.625 0.288 -1.425) 2.180 7.119 ( 1.555 1.401 0.336) 2.119 7.294 ( 0.152 1.523 -6.977) 7.143 7.376 ( 3.799 -0.006 2.198) 4.389 7.479 ( 1.019 0.415 -1.842) 2.145 7.629 ( -1.371 -2.927 -2.894) 4.339 7.661 ( 2.858 -0.938 -3.330) 4.487 7.843 ( 4.667 -1.792 3.452) 6.075 9.425 ( 1.555 -1.114 0.092) 1.915 9.543 ( 5.035 -1.655 -3.353) 6.272 9.756 ( -2.281 3.666 1.925) 4.727 9.884 ( -6.042 8.857 -9.573) 14.374 10.141 ( -2.705 -3.930 -1.943) 5.152 10.284 ( -3.550 0.908 -3.457) 5.037 10.476 ( 2.682 2.985 3.152) 5.103 10.558 ( -7.606 -1.068 -4.176) 8.742 10.597 ( 2.910 -1.725 10.415) 10.951 10.734 ( 7.706 0.990 6.678) 10.245 11.346 ( -3.331 3.307 3.247) 5.707 11.577 ( -3.214 -2.538 3.457) 5.359 18.010 ( -5.391 -0.390 -1.066) 5.509 18.358 ( -5.970 -7.910 -3.824) 10.622 18.521 ( -7.029 -5.427 0.612) 8.901 18.605 ( -9.639 -5.021 0.539) 10.882 18.981 ( -4.082 2.832 2.862) 5.733 19.462 ( -0.440 -8.558 2.637) 8.966 19.814 ( -0.724 8.038 -0.948) 8.126 20.235 ( -1.150 -4.703 -10.456) 11.522 20.691 ( -0.027 5.574 0.742) 5.623 20.913 ( -4.855 2.758 -7.750) 9.552 21.211 ( 0.992 5.114 0.244) 5.215 21.517 ( 8.578 -3.419 3.412) 9.844 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -3.140 17.210 16.382) 23.967 1.174 ( -6.927 21.547 12.156) 25.691 1.421 ( -0.749 -14.750 12.965) 19.652 1.647 ( -1.285 -19.836 8.137) 21.478 1.758 ( -2.898 27.556 9.919) 29.430 2.268 ( -2.278 -18.381 4.617) 19.088 2.566 ( 1.279 12.617 -1.010) 12.722 2.637 ( -0.758 1.961 -2.960) 3.631 2.725 ( -2.865 2.292 0.374) 3.688 2.928 ( 2.279 -11.591 -1.814) 11.951 3.232 ( 1.669 -0.679 -4.244) 4.611 3.248 ( 3.810 -1.571 -8.201) 9.178 3.474 ( 2.033 3.251 1.911) 4.284 3.549 ( 0.943 -3.686 3.242) 4.998 4.112 ( 1.537 3.735 -6.515) 7.666 4.192 ( 1.529 -5.301 -5.117) 7.525 4.487 ( -1.554 5.113 1.339) 5.509 4.574 ( -0.790 -3.883 2.304) 4.583 4.891 ( -1.944 8.148 -4.815) 9.663 4.932 ( -0.251 1.437 2.444) 2.846 4.973 ( -0.480 -0.440 0.337) 0.734 5.036 ( 2.831 0.819 -1.744) 3.424 5.115 ( 2.834 -1.034 -1.237) 3.261 5.177 ( 1.820 -1.790 -0.220) 2.562 5.304 ( -4.549 3.571 8.073) 9.930 5.350 ( 0.146 3.887 2.890) 4.846 5.421 ( 0.099 -2.920 2.363) 3.757 5.507 ( -4.361 -5.323 -1.218) 6.988 5.569 ( 0.042 0.890 5.728) 5.797 5.647 ( 0.554 -5.550 4.222) 6.995 5.825 ( -1.346 3.908 1.954) 4.572 5.895 ( -1.277 -2.375 2.277) 3.529 6.022 ( 0.502 3.664 0.597) 3.746 6.095 ( -1.787 -0.891 -1.689) 2.615 6.234 ( 0.917 -1.181 0.735) 1.666 6.256 ( 2.731 -1.576 -0.784) 3.249 6.389 ( -0.022 4.437 2.329) 5.012 6.512 ( 0.293 -6.786 4.120) 7.944 6.553 ( 0.239 1.783 0.546) 1.880 6.580 ( 0.971 -1.294 0.077) 1.620 7.162 ( 1.900 2.894 -0.829) 3.559 7.180 ( 1.196 1.240 0.736) 1.873 7.276 ( -5.742 3.037 -6.000) 8.843 7.354 ( -7.721 -4.212 -4.064) 9.689 7.493 ( 4.468 1.823 3.647) 6.048 7.543 ( 4.086 -3.310 4.220) 6.742 7.749 ( -0.645 2.818 -0.410) 2.920 7.805 ( -2.972 -2.544 1.435) 4.167 9.588 ( 7.541 4.747 -3.093) 9.432 9.650 ( 7.686 -1.499 -3.723) 8.671 9.764 ( -4.603 3.170 3.985) 6.864 9.822 ( -6.187 -0.711 -0.117) 6.229 10.055 ( -2.634 2.459 -7.822) 8.612 10.150 ( -3.309 -5.480 -8.904) 10.966 10.409 ( -3.434 1.515 -3.474) 5.115 10.436 ( -2.686 -1.057 -3.467) 4.511 10.766 ( 6.022 5.349 8.472) 11.690 10.916 ( 9.964 -10.099 9.828) 17.259 11.400 ( 0.839 3.445 3.194) 4.772 11.473 ( -0.451 -3.626 2.177) 4.253 17.959 ( -0.487 2.839 -1.024) 3.057 18.049 ( -1.562 -6.303 -1.645) 6.698 18.409 ( -0.330 1.979 0.023) 2.006 18.448 ( 0.071 -1.905 0.005) 1.907 19.023 ( -4.157 8.792 0.772) 9.755 19.200 ( -4.803 -8.879 -0.991) 10.143 19.927 ( -2.519 8.470 -6.472) 10.953 20.086 ( -1.067 -7.744 -8.194) 11.324 20.794 ( -0.937 5.459 0.644) 5.576 20.872 ( -1.711 -1.757 -3.297) 4.110 21.354 ( -1.065 6.937 -2.259) 7.373 21.476 ( -2.128 -5.603 -1.014) 6.079 ======================= Grid point 76 (40/108) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -1.487 21.634 11.011) 24.321 1.113 ( 6.680 14.568 13.565) 20.996 1.460 ( 3.777 -15.072 11.041) 19.061 1.596 ( -2.677 -22.790 7.307) 24.082 1.906 ( 14.434 26.812 6.078) 31.051 2.335 ( 7.657 -14.053 0.941) 16.032 2.592 ( 0.537 13.633 0.388) 13.649 2.640 ( 1.803 2.569 -1.871) 3.653 2.680 ( -1.436 1.480 -1.936) 2.829 2.960 ( 0.134 -14.957 1.083) 14.997 3.257 ( 1.509 4.586 -3.699) 6.082 3.321 ( 3.815 -2.263 -4.963) 6.657 3.486 ( -0.693 0.979 2.945) 3.180 3.533 ( -1.929 -2.996 4.007) 5.362 4.089 ( -2.232 4.657 -3.944) 6.498 4.171 ( -2.796 -4.309 -3.275) 6.092 4.484 ( -0.195 5.037 -0.523) 5.067 4.577 ( -0.019 -3.962 0.338) 3.976 4.754 ( -5.463 1.727 -1.752) 5.991 4.791 ( -8.662 -1.748 0.150) 8.838 4.975 ( -2.839 2.325 2.077) 4.216 5.059 ( -5.437 -5.121 2.055) 7.746 5.181 ( 1.905 4.117 1.425) 4.755 5.229 ( 1.957 -0.291 3.625) 4.130 5.276 ( 1.936 6.199 0.782) 6.541 5.371 ( 3.923 7.111 -2.164) 8.405 5.429 ( -1.436 -7.114 1.354) 7.383 5.489 ( 3.114 -1.470 0.334) 3.459 5.564 ( 0.302 3.527 3.523) 4.994 5.718 ( 5.218 -9.900 1.531) 11.295 5.808 ( -1.054 2.378 0.726) 2.700 5.846 ( -2.535 -1.404 2.602) 3.894 6.004 ( -2.004 2.556 1.376) 3.527 6.060 ( -1.504 -1.803 -0.479) 2.397 6.227 ( -1.605 0.349 2.286) 2.814 6.259 ( -2.827 -2.378 0.443) 3.720 6.388 ( -1.911 2.518 2.083) 3.786 6.464 ( -5.394 -3.856 1.717) 6.849 6.562 ( 2.299 4.398 1.290) 5.127 6.646 ( 5.500 -4.345 -1.093) 7.094 7.077 ( -8.862 4.418 -1.136) 9.967 7.149 ( -6.948 -2.206 2.196) 7.613 7.214 ( -0.148 1.426 -4.777) 4.988 7.235 ( 0.247 -1.176 -3.393) 3.600 7.573 ( 2.381 2.587 3.183) 4.742 7.604 ( -1.379 0.162 2.534) 2.890 7.689 ( -4.203 0.535 -1.556) 4.513 7.719 ( -2.182 -2.429 -2.098) 3.881 9.627 ( -5.047 4.908 2.763) 7.562 9.690 ( -4.618 -1.065 4.144) 6.295 9.760 ( 5.371 2.875 -0.901) 6.158 9.800 ( 5.209 0.401 -4.614) 6.970 10.047 ( 2.137 0.666 -5.199) 5.661 10.127 ( 1.268 -5.810 -7.871) 9.865 10.393 ( 2.171 2.069 -4.644) 5.528 10.424 ( 1.853 -1.072 -5.144) 5.571 10.869 ( 3.561 5.942 7.558) 10.252 11.026 ( 0.809 -9.753 9.469) 13.617 11.448 ( 2.616 0.811 5.366) 6.024 11.495 ( 1.970 -3.181 2.809) 4.679 18.034 ( 7.913 4.058 -2.008) 9.117 18.122 ( 8.273 -4.505 -2.707) 9.801 18.500 ( 8.714 2.724 0.055) 9.130 18.549 ( 9.256 -2.205 0.428) 9.525 18.948 ( -2.707 8.617 -2.206) 9.297 19.105 ( -3.933 -6.785 -3.104) 8.435 19.869 ( -2.305 10.795 -8.099) 13.691 20.064 ( -0.605 -9.257 -8.669) 12.697 20.772 ( -1.225 4.556 0.081) 4.719 20.825 ( -2.614 -0.119 -3.229) 4.156 21.300 ( -3.135 4.664 -1.124) 5.731 21.382 ( -5.524 -3.489 0.435) 6.548 ======================= Grid point 77 (41/108) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 12.442 15.229 3.693) 20.009 1.346 ( 14.134 6.111 12.235) 19.667 1.584 ( 6.748 -15.021 6.427) 17.677 1.631 ( 7.431 -14.256 8.229) 18.061 2.248 ( 16.944 18.932 2.834) 25.564 2.524 ( 9.237 -5.999 -1.084) 11.067 2.586 ( -0.290 12.167 0.880) 12.202 2.660 ( -0.393 0.841 -3.136) 3.270 2.699 ( 3.129 1.791 0.451) 3.633 2.927 ( -2.822 -10.596 2.440) 11.233 3.299 ( 2.345 5.325 -1.691) 6.059 3.385 ( 1.890 -3.221 -1.436) 4.001 3.486 ( 1.694 -1.626 3.733) 4.410 3.518 ( 0.953 -3.710 2.307) 4.472 4.049 ( -1.880 3.182 -2.035) 4.219 4.102 ( -3.756 -2.376 -2.206) 4.961 4.432 ( -4.037 6.399 -0.759) 7.604 4.533 ( -4.315 -3.091 -3.321) 6.261 4.654 ( -3.720 1.907 0.571) 4.219 4.730 ( 1.405 -5.635 -0.460) 5.826 4.874 ( -6.415 -0.677 3.225) 7.211 4.899 ( -8.657 -3.229 5.576) 10.791 5.199 ( -0.799 4.635 0.499) 4.729 5.230 ( -3.223 5.621 -2.869) 7.087 5.273 ( 1.019 -0.670 2.828) 3.080 5.378 ( -2.968 -4.565 1.928) 5.776 5.470 ( 2.024 3.178 2.520) 4.533 5.528 ( 1.152 0.451 0.392) 1.298 5.654 ( 6.928 5.730 -2.885) 9.442 5.735 ( -3.562 3.164 0.547) 4.795 5.782 ( -3.065 -2.457 2.197) 4.501 5.853 ( 2.247 -10.882 -1.492) 11.211 5.974 ( 0.461 2.229 2.114) 3.107 6.041 ( -0.819 -3.364 0.557) 3.507 6.155 ( -4.738 1.394 3.173) 5.870 6.196 ( -1.630 -2.511 1.245) 3.242 6.312 ( -4.599 1.306 2.081) 5.214 6.343 ( -5.294 -1.294 -0.479) 5.471 6.642 ( 3.646 5.102 1.510) 6.450 6.735 ( 1.264 -3.133 -3.048) 4.550 6.915 ( -5.237 4.975 -2.234) 7.561 7.031 ( -3.045 -6.307 -0.356) 7.013 7.214 ( -0.143 2.063 -2.143) 2.978 7.250 ( 0.236 -1.781 -1.661) 2.447 7.490 ( -6.474 2.860 0.708) 7.113 7.534 ( -5.331 -1.386 2.294) 5.967 7.665 ( 1.770 3.467 -2.313) 4.527 7.744 ( 2.438 -4.078 -2.460) 5.350 9.541 ( -3.341 3.022 4.564) 6.413 9.599 ( -3.983 -2.535 5.269) 7.075 9.856 ( 3.529 4.018 -1.790) 5.639 9.893 ( 4.411 0.807 -3.683) 5.803 10.111 ( 3.557 0.173 -2.465) 4.331 10.170 ( 3.182 -4.607 -7.221) 9.137 10.482 ( 6.147 1.460 -5.752) 8.544 10.502 ( 5.932 -0.591 -6.238) 8.628 10.926 ( 1.743 3.655 6.502) 7.660 11.012 ( -1.860 -4.585 9.480) 10.694 11.499 ( 2.199 1.361 5.296) 5.893 11.542 ( 2.412 -2.543 2.704) 4.427 18.225 ( 9.201 4.086 -0.168) 10.069 18.322 ( 9.818 -5.194 -1.420) 11.198 18.722 ( 11.585 4.106 -0.725) 12.312 18.791 ( 13.153 -2.758 0.334) 13.443 18.931 ( 2.126 6.494 -3.833) 7.835 19.050 ( -0.822 -5.029 -3.713) 6.305 19.838 ( -0.083 11.544 -8.485) 14.327 20.051 ( -0.120 -10.043 -8.484) 13.147 20.742 ( -1.799 2.559 -0.236) 3.137 20.770 ( -2.408 -0.127 -2.376) 3.385 21.256 ( -0.898 2.147 0.479) 2.376 21.296 ( -2.453 -1.799 1.755) 3.512 ======================= Grid point 78 (42/108) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 17.982 6.991 -0.607) 19.303 1.658 ( 15.079 -2.323 7.828) 17.148 1.776 ( 11.982 -6.532 4.757) 14.452 1.847 ( 11.460 -7.880 8.226) 16.159 2.512 ( 4.536 10.308 -1.889) 11.419 2.577 ( 3.750 8.031 2.284) 9.153 2.651 ( -0.097 -0.827 -1.333) 1.572 2.703 ( 5.878 1.369 0.031) 6.036 2.753 ( 2.242 2.814 0.922) 3.714 2.888 ( -0.412 -6.254 0.073) 6.268 3.323 ( -0.322 4.253 3.372) 5.437 3.406 ( 0.618 -3.747 2.911) 4.785 3.550 ( 3.666 -0.992 2.514) 4.555 3.585 ( 4.729 -3.740 0.163) 6.032 3.987 ( -4.120 1.811 -1.047) 4.621 4.019 ( -3.984 -1.308 -0.462) 4.219 4.364 ( -2.249 3.687 -0.766) 4.386 4.427 ( -4.865 -2.760 -2.759) 6.237 4.617 ( -3.194 4.111 1.040) 5.309 4.662 ( -7.139 -0.915 3.338) 7.934 4.752 ( -4.566 -0.677 2.326) 5.169 4.824 ( 0.998 -6.690 -1.734) 6.983 5.131 ( -5.148 3.281 -0.883) 6.168 5.159 ( -3.065 0.154 -3.282) 4.493 5.303 ( 0.440 1.876 0.797) 2.085 5.325 ( -1.069 0.022 -0.252) 1.099 5.505 ( 2.004 0.881 3.378) 4.025 5.534 ( 0.071 -1.290 1.650) 2.095 5.669 ( -2.068 2.688 1.291) 3.629 5.709 ( -1.491 1.441 2.614) 3.336 5.726 ( -3.350 -1.952 1.129) 4.038 5.797 ( -5.439 -4.213 1.205) 6.985 6.026 ( 2.219 0.515 -1.139) 2.547 6.049 ( 2.303 -2.027 1.547) 3.435 6.124 ( -1.744 1.836 2.172) 3.337 6.165 ( 0.082 -1.057 -1.018) 1.469 6.253 ( -0.977 0.958 0.928) 1.653 6.285 ( 1.061 -0.990 -0.639) 1.586 6.621 ( -5.340 5.739 -2.637) 8.270 6.705 ( -2.649 -1.638 -1.839) 3.616 6.890 ( 2.060 4.579 -0.743) 5.076 7.026 ( 0.750 -7.519 -2.818) 8.065 7.199 ( -1.133 -0.107 -0.579) 1.277 7.217 ( -3.526 -1.976 -0.087) 4.043 7.401 ( -1.955 2.708 1.234) 3.561 7.455 ( -1.717 -2.621 1.629) 3.532 7.704 ( 1.980 4.408 -2.854) 5.612 7.789 ( 2.132 -4.093 -3.400) 5.732 9.491 ( -2.006 1.494 4.888) 5.491 9.536 ( -2.580 -2.645 4.809) 6.065 9.909 ( 2.010 3.599 -1.732) 4.471 9.971 ( 3.277 -1.942 -3.554) 5.210 10.169 ( 2.372 3.097 -1.657) 4.238 10.250 ( 4.692 -3.901 -6.912) 9.220 10.606 ( 5.903 2.069 -5.848) 8.563 10.637 ( 6.869 -0.802 -5.789) 9.019 10.944 ( -0.545 2.011 7.449) 7.735 10.987 ( -0.616 -1.749 7.168) 7.404 11.545 ( 1.987 1.920 3.721) 4.635 11.591 ( 2.068 -2.502 2.524) 4.112 18.368 ( 4.547 4.176 2.482) 6.654 18.472 ( 4.574 -5.797 1.552) 7.546 18.882 ( 4.565 6.133 -7.069) 10.412 18.974 ( 3.913 -2.525 -5.670) 7.337 19.087 ( 10.469 1.814 1.956) 10.804 19.134 ( 10.594 -2.718 2.752) 11.279 19.857 ( 2.338 9.981 -7.698) 12.819 20.052 ( 0.739 -9.400 -7.470) 12.029 20.705 ( -1.549 1.246 -0.058) 1.989 20.728 ( -1.583 -0.929 -1.003) 2.091 21.262 ( 1.185 1.359 0.782) 1.965 21.283 ( 0.708 -0.766 1.655) 1.957 ======================= Grid point 79 (43/108) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 13.778 3.844 -1.853) 14.424 1.946 ( 12.410 -4.493 3.066) 13.550 2.027 ( 10.501 -3.010 5.389) 12.181 2.058 ( 7.795 -4.244 6.424) 10.956 2.505 ( -1.352 7.509 -2.712) 8.097 2.618 ( -0.092 -3.267 -0.806) 3.366 2.684 ( 1.066 4.578 2.321) 5.242 2.756 ( 0.664 0.211 2.945) 3.026 2.804 ( 1.791 5.244 0.015) 5.541 2.902 ( 1.096 -3.150 -1.651) 3.722 3.300 ( -1.941 3.691 6.379) 7.621 3.395 ( -2.577 -5.559 6.143) 8.676 3.630 ( 3.428 2.156 1.864) 4.458 3.666 ( 2.875 -1.596 0.241) 3.297 3.908 ( -2.780 1.786 -0.412) 3.330 3.950 ( -2.497 -2.321 0.321) 3.424 4.344 ( 0.363 0.472 -0.441) 0.741 4.356 ( -1.719 -1.308 -1.355) 2.550 4.491 ( -6.086 1.646 2.238) 6.690 4.534 ( -5.725 -2.121 2.294) 6.522 4.738 ( 0.872 3.280 -0.912) 3.514 4.818 ( -1.537 -4.740 -1.191) 5.123 5.045 ( -2.508 3.446 -1.159) 4.417 5.102 ( -1.870 -3.062 -1.604) 3.931 5.280 ( -0.486 3.662 -3.256) 4.924 5.341 ( 0.403 -3.059 -5.330) 6.159 5.548 ( 0.473 1.456 2.173) 2.658 5.563 ( 1.854 1.043 2.642) 3.392 5.601 ( -3.283 2.496 -0.562) 4.163 5.677 ( -2.448 -0.208 5.774) 6.275 5.690 ( 0.117 -2.651 1.405) 3.003 5.729 ( 1.309 -2.509 4.630) 5.427 5.965 ( -6.621 1.727 3.030) 7.484 6.025 ( -2.785 -3.162 3.598) 5.541 6.166 ( 4.121 1.818 -2.153) 4.992 6.215 ( 3.596 -1.638 0.186) 3.956 6.288 ( 3.084 5.513 -1.153) 6.422 6.333 ( 2.365 1.070 -0.569) 2.658 6.506 ( -4.945 6.379 -4.588) 9.284 6.638 ( -3.053 -5.724 -2.847) 7.085 6.944 ( 2.339 2.626 1.213) 3.720 7.005 ( -2.372 -3.360 -2.225) 4.676 7.131 ( -4.010 -0.521 0.558) 4.082 7.182 ( -0.645 -4.714 -2.714) 5.478 7.399 ( 1.002 2.630 2.474) 3.748 7.453 ( 0.677 -2.612 1.038) 2.892 7.737 ( 1.332 4.681 -3.241) 5.847 7.825 ( 1.506 -4.337 -3.819) 5.972 9.459 ( -1.502 0.383 4.422) 4.686 9.495 ( -1.819 -2.731 3.822) 5.037 9.940 ( 1.191 3.088 -1.695) 3.719 10.020 ( 1.729 -4.721 -3.266) 5.995 10.213 ( 2.128 7.367 -2.450) 8.050 10.337 ( 4.008 -4.514 -6.399) 8.797 10.700 ( 3.412 3.279 -4.345) 6.424 10.752 ( 4.307 -1.404 -4.195) 6.174 10.923 ( -1.572 3.369 7.680) 8.532 10.987 ( -0.115 -2.942 4.172) 5.106 11.580 ( 1.133 1.908 2.656) 3.461 11.624 ( 1.036 -2.437 2.556) 3.680 18.419 ( 0.598 3.625 2.548) 4.471 18.516 ( 0.060 -5.807 2.158) 6.195 18.962 ( 4.144 5.135 -6.394) 9.188 19.033 ( 3.252 -1.588 -5.337) 6.449 19.270 ( 6.312 2.974 4.112) 8.099 19.338 ( 7.290 -3.662 4.085) 9.124 19.911 ( 2.958 7.861 -6.134) 10.401 20.071 ( 1.486 -8.083 -5.915) 10.126 20.686 ( -0.193 0.774 0.028) 0.798 20.708 ( -0.342 -1.201 0.388) 1.308 21.292 ( 1.403 1.170 0.614) 1.927 21.307 ( 1.167 -0.269 1.297) 1.765 ======================= Grid point 80 (44/108) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -2.356 5.137 0.140) 5.653 2.116 ( -0.411 -8.142 1.846) 8.359 2.130 ( 2.398 1.023 6.472) 6.978 2.188 ( 4.663 -5.635 0.961) 7.377 2.501 ( 1.992 8.819 -2.027) 9.266 2.622 ( 0.146 -2.788 -0.002) 2.792 2.674 ( -1.444 4.450 1.325) 4.862 2.764 ( -0.379 -4.265 4.395) 6.136 2.825 ( 1.092 6.933 0.977) 7.087 2.918 ( 0.837 -1.596 -1.282) 2.212 3.261 ( -2.063 0.097 5.214) 5.608 3.313 ( -5.032 -4.964 7.030) 9.969 3.655 ( -1.174 3.408 1.670) 3.973 3.697 ( -0.346 -0.273 0.844) 0.953 3.897 ( 1.836 1.023 0.079) 2.103 3.926 ( 0.260 -1.635 0.364) 1.695 4.359 ( 1.571 0.471 -0.012) 1.640 4.379 ( 2.215 0.545 0.280) 2.298 4.409 ( -0.705 -0.563 1.879) 2.084 4.460 ( -1.641 -3.127 1.440) 3.813 4.751 ( 0.546 1.931 -0.241) 2.022 4.801 ( 0.845 -3.792 -1.063) 4.028 5.028 ( 0.707 3.516 -0.512) 3.623 5.094 ( 1.221 -3.615 -0.056) 3.816 5.269 ( -1.091 2.816 -6.162) 6.862 5.322 ( -1.913 -2.555 -7.352) 8.015 5.491 ( -2.823 3.690 2.661) 5.354 5.580 ( -1.055 4.497 -1.314) 4.803 5.600 ( -1.258 -4.716 3.295) 5.889 5.614 ( 1.093 -0.039 -1.387) 1.767 5.752 ( 0.077 -0.119 5.026) 5.028 5.791 ( 3.910 -2.303 7.546) 8.806 5.880 ( 0.621 4.330 4.142) 6.023 6.003 ( 1.653 -5.853 4.842) 7.774 6.226 ( 1.339 2.776 -0.630) 3.146 6.261 ( 0.497 0.760 0.626) 1.103 6.329 ( 0.292 6.592 -1.058) 6.682 6.368 ( 1.080 2.909 -0.923) 3.237 6.429 ( -1.807 5.166 -6.458) 8.465 6.597 ( -0.656 -8.163 -3.347) 8.846 6.953 ( -1.848 -1.646 0.071) 2.476 6.978 ( 0.711 -3.171 1.950) 3.789 7.080 ( -0.686 2.481 -1.061) 2.784 7.161 ( -1.214 -4.498 -4.124) 6.222 7.423 ( 0.866 1.871 2.537) 3.270 7.464 ( 0.184 -2.027 0.623) 2.129 7.751 ( 0.136 4.799 -3.287) 5.818 7.843 ( 0.354 -4.713 -3.695) 5.999 9.433 ( -1.359 -0.295 3.596) 3.856 9.464 ( -1.499 -2.833 2.670) 4.172 9.955 ( 0.279 2.934 -1.588) 3.347 10.041 ( 0.572 -5.777 -2.706) 6.405 10.249 ( 1.456 9.890 -3.315) 10.532 10.400 ( 2.487 -5.095 -6.284) 8.464 10.732 ( -0.141 3.941 -1.316) 4.157 10.794 ( -0.182 -1.787 0.462) 1.855 10.896 ( -1.405 4.324 3.429) 5.695 10.978 ( -1.141 -4.059 1.806) 4.587 11.593 ( 0.001 1.881 2.266) 2.945 11.637 ( 0.119 -2.472 2.799) 3.736 18.406 ( -1.721 2.843 1.257) 3.553 18.495 ( -1.965 -5.969 0.749) 6.328 19.043 ( 3.971 4.985 -3.904) 7.474 19.107 ( 4.117 -1.029 -2.243) 4.800 19.330 ( -0.822 3.750 4.261) 5.735 19.411 ( -0.514 -4.254 3.794) 5.723 19.958 ( 1.804 6.753 -4.455) 8.289 20.099 ( 1.407 -7.285 -4.418) 8.635 20.695 ( 0.916 0.468 0.640) 1.211 20.713 ( 0.824 -1.134 0.882) 1.656 21.307 ( -0.131 1.245 0.497) 1.347 21.322 ( 0.020 -0.118 1.277) 1.283 ======================= Grid point 81 (45/108) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -13.039 6.532 1.892) 14.706 1.975 ( -10.262 -11.216 3.288) 15.554 2.113 ( -6.514 3.847 8.515) 11.391 2.190 ( -5.048 -4.646 6.321) 9.329 2.566 ( 3.441 5.659 -5.704) 8.740 2.596 ( -2.523 2.395 -0.883) 3.589 2.643 ( -1.691 3.734 -0.477) 4.127 2.742 ( -1.616 -1.668 2.562) 3.458 2.863 ( 1.670 3.704 3.295) 5.231 2.935 ( 0.383 -2.236 1.635) 2.796 3.214 ( -3.399 -2.538 3.697) 5.627 3.235 ( -2.144 -3.660 2.493) 4.920 3.598 ( -4.120 3.239 1.816) 5.547 3.652 ( -3.828 -1.446 0.568) 4.131 3.957 ( 3.143 0.175 -0.426) 3.176 3.965 ( 3.673 -0.606 -0.364) 3.741 4.355 ( -0.364 5.282 -0.912) 5.372 4.457 ( 3.113 -2.581 2.460) 4.733 4.462 ( 4.524 -0.853 0.948) 4.700 4.492 ( 5.841 -3.854 2.131) 7.315 4.763 ( 0.351 3.074 0.543) 3.141 4.844 ( 2.510 -5.053 -0.281) 5.649 5.067 ( 2.898 3.252 0.096) 4.357 5.149 ( 3.098 -4.678 0.377) 5.623 5.229 ( -1.016 2.210 -6.969) 7.381 5.276 ( -0.620 -1.648 -6.670) 6.898 5.435 ( -2.994 5.168 2.400) 6.437 5.580 ( 1.458 -1.250 3.722) 4.189 5.601 ( 0.615 -2.683 -0.984) 2.923 5.646 ( 2.657 -1.204 0.202) 2.924 5.743 ( -0.397 3.558 6.280) 7.229 5.813 ( 0.253 -3.177 7.095) 7.778 5.994 ( 6.497 4.604 3.552) 8.719 6.090 ( 5.120 -3.653 3.689) 7.292 6.212 ( -1.936 5.918 -0.370) 6.237 6.243 ( -3.266 3.000 -1.074) 4.563 6.309 ( -0.666 3.363 0.815) 3.524 6.350 ( -1.301 -0.554 -4.217) 4.447 6.447 ( 2.459 5.014 -3.201) 6.437 6.588 ( -0.714 -7.965 -2.783) 8.467 6.939 ( 0.756 0.291 0.179) 0.830 7.000 ( 1.441 -4.448 -0.521) 4.705 7.098 ( 2.094 0.445 -0.343) 2.168 7.138 ( 0.079 -2.537 -2.477) 3.546 7.433 ( 0.024 1.032 1.805) 2.079 7.459 ( -0.605 -1.274 0.105) 1.414 7.738 ( -1.209 4.889 -3.262) 6.000 7.833 ( -1.086 -4.930 -3.431) 6.104 9.408 ( -1.243 -0.553 2.550) 2.890 9.436 ( -1.267 -2.805 1.397) 3.380 9.949 ( -0.702 3.326 -1.183) 3.599 10.042 ( -0.324 -6.004 -2.204) 6.404 10.267 ( 0.612 10.962 -4.126) 11.728 10.429 ( 0.823 -5.154 -6.519) 8.351 10.698 ( -3.018 3.656 1.928) 5.117 10.751 ( -3.888 -0.778 5.150) 6.499 10.859 ( -2.676 3.369 -0.953) 4.407 10.936 ( -3.223 -4.383 -0.278) 5.447 11.583 ( -1.133 2.258 2.466) 3.530 11.634 ( -0.575 -2.854 3.229) 4.348 18.357 ( -3.114 2.345 0.040) 3.899 18.444 ( -2.918 -6.586 -0.817) 7.250 19.106 ( 1.626 5.910 -1.813) 6.392 19.186 ( 2.934 -1.687 0.075) 3.385 19.251 ( -6.147 3.620 3.731) 8.051 19.324 ( -7.698 -3.815 3.303) 9.205 19.980 ( 0.734 6.804 -3.112) 7.517 20.120 ( 0.945 -7.092 -3.571) 7.996 20.716 ( 1.017 1.167 1.248) 1.988 20.749 ( 2.673 -2.120 0.665) 3.475 21.288 ( -1.541 1.754 0.627) 2.418 21.310 ( -1.079 -0.356 1.699) 2.044 ======================= Grid point 82 (46/108) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -14.019 10.225 5.038) 18.068 1.763 ( -10.014 -14.443 6.723) 18.817 1.897 ( -13.973 6.269 11.452) 19.123 2.016 ( -11.558 -6.349 11.050) 17.204 2.525 ( -4.743 5.441 -1.378) 7.348 2.598 ( -1.189 0.150 -3.192) 3.410 2.615 ( -0.592 7.635 -1.350) 7.776 2.689 ( -3.642 1.009 0.352) 3.796 2.875 ( -0.695 1.701 4.537) 4.895 2.922 ( -1.577 -2.761 2.465) 4.023 3.149 ( -2.494 0.952 0.055) 2.670 3.205 ( -1.254 -5.041 -3.121) 6.060 3.508 ( -4.331 0.796 1.653) 4.704 3.556 ( -5.138 -3.046 0.944) 6.047 4.020 ( 2.731 1.297 -2.792) 4.115 4.046 ( 3.871 -1.401 -1.687) 4.449 4.363 ( 1.486 7.284 -1.426) 7.569 4.511 ( 3.427 -6.618 -2.054) 7.731 4.601 ( 7.124 0.777 3.471) 7.963 4.634 ( 7.554 -2.068 3.468) 8.565 4.749 ( -1.711 3.258 2.047) 4.212 4.873 ( 0.088 -8.041 0.559) 8.061 5.132 ( 3.208 1.998 -3.459) 5.123 5.169 ( 2.439 -1.010 -2.908) 3.928 5.294 ( 3.624 1.490 2.000) 4.399 5.315 ( 3.971 -0.981 -0.552) 4.128 5.393 ( -0.668 7.892 1.358) 8.036 5.585 ( -0.781 -9.706 3.003) 10.190 5.652 ( 3.751 3.339 0.451) 5.042 5.719 ( 3.906 -2.621 1.816) 5.043 5.772 ( 3.219 3.167 3.991) 6.026 5.834 ( 1.654 -3.019 5.280) 6.303 6.031 ( -6.803 5.297 0.181) 8.624 6.116 ( -2.013 -2.471 -2.353) 3.962 6.166 ( -0.410 6.479 2.154) 6.840 6.247 ( 4.190 8.428 2.992) 9.876 6.304 ( 0.835 -5.061 3.917) 6.454 6.369 ( 2.951 0.750 -5.073) 5.917 6.482 ( 0.384 1.213 -0.161) 1.283 6.562 ( -1.085 -6.639 -4.439) 8.060 6.976 ( 2.523 0.761 0.236) 2.646 7.022 ( 0.554 -3.243 -1.531) 3.629 7.147 ( 4.587 2.416 -2.083) 5.587 7.217 ( 6.364 -3.584 1.821) 7.527 7.432 ( 0.144 0.136 0.621) 0.652 7.448 ( -0.154 -1.156 -0.056) 1.167 7.702 ( -1.882 4.866 -3.163) 6.101 7.796 ( -2.194 -4.702 -3.137) 6.063 9.388 ( -0.698 -0.293 1.253) 1.464 9.418 ( -0.460 -2.631 -0.061) 2.672 9.926 ( -1.475 4.068 -0.525) 4.359 10.025 ( -1.227 -5.731 -1.612) 6.079 10.271 ( 0.101 10.688 -5.694) 12.110 10.424 ( -1.116 -4.156 -7.346) 8.514 10.621 ( -4.548 2.945 4.812) 7.247 10.661 ( -4.601 -0.224 7.483) 8.787 10.781 ( -4.868 2.044 -2.370) 5.787 10.844 ( -5.751 -4.268 -1.731) 7.368 11.549 ( -2.356 3.073 2.991) 4.893 11.615 ( -1.607 -3.492 3.708) 5.342 18.278 ( -4.709 2.378 -0.929) 5.357 18.374 ( -4.026 -7.536 -1.969) 8.768 18.999 ( -11.786 4.332 0.738) 12.579 19.080 ( -13.260 -3.638 1.232) 13.805 19.177 ( -0.198 5.958 1.198) 6.081 19.278 ( 2.206 -3.498 3.620) 5.496 19.988 ( 0.199 7.597 -2.370) 7.960 20.133 ( 0.489 -6.936 -3.908) 7.976 20.743 ( 1.711 3.256 0.860) 3.778 20.817 ( 3.757 -4.112 -0.005) 5.570 21.261 ( -0.733 2.400 1.128) 2.752 21.292 ( -0.317 -0.731 2.753) 2.866 ======================= Grid point 83 (47/108) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -9.368 16.144 9.649) 21.012 1.557 ( -13.402 3.385 14.664) 20.152 1.647 ( -7.608 -11.999 8.858) 16.743 1.777 ( -11.499 -9.898 12.867) 19.894 2.328 ( -15.264 15.188 7.124) 22.680 2.549 ( -3.129 9.784 -0.319) 10.277 2.569 ( -3.760 -4.515 -0.234) 5.880 2.653 ( 0.284 -1.788 -3.753) 4.166 2.838 ( -2.699 0.428 3.977) 4.825 2.902 ( -0.570 -3.202 2.454) 4.074 3.127 ( 0.783 1.458 -7.514) 7.694 3.181 ( -0.437 -4.041 -6.710) 7.845 3.440 ( -2.362 -1.133 2.474) 3.603 3.476 ( -1.743 -3.342 1.382) 4.015 4.049 ( 0.512 3.330 -4.840) 5.897 4.109 ( 2.340 -3.023 -3.993) 5.528 4.429 ( 5.183 8.149 -1.474) 9.769 4.587 ( 3.187 -7.541 -3.455) 8.886 4.709 ( -0.578 1.813 3.056) 3.600 4.737 ( 5.117 0.468 1.317) 5.305 4.791 ( 7.162 -0.778 4.593) 8.544 4.884 ( 2.360 -7.828 1.242) 8.270 5.200 ( 2.832 3.810 -1.261) 4.912 5.255 ( 4.601 -1.465 0.281) 4.837 5.299 ( -2.049 4.598 4.614) 6.828 5.384 ( 1.543 -2.491 2.331) 3.745 5.397 ( 0.134 8.215 0.402) 8.226 5.575 ( -0.287 -7.653 2.944) 8.205 5.729 ( 0.389 2.279 1.682) 2.859 5.761 ( -0.929 -0.483 0.473) 1.149 5.835 ( -1.765 3.718 4.632) 6.197 5.884 ( 5.451 -1.540 -0.248) 5.669 5.910 ( -0.244 1.635 -3.107) 3.519 6.015 ( -2.899 -6.727 -0.476) 7.341 6.209 ( 0.620 6.738 3.984) 7.852 6.278 ( -0.299 4.168 3.474) 5.434 6.367 ( 2.484 -0.372 -0.450) 2.552 6.424 ( 3.160 3.978 -3.493) 6.166 6.488 ( 1.616 -5.577 8.250) 10.088 6.546 ( -0.699 -6.801 -6.874) 9.695 7.027 ( 2.491 0.924 -0.568) 2.717 7.056 ( 3.372 -1.318 0.522) 3.658 7.276 ( 6.627 3.886 -2.022) 7.944 7.331 ( 3.444 -0.591 1.716) 3.893 7.443 ( 0.800 -0.300 0.127) 0.864 7.486 ( 4.142 -4.904 -0.262) 6.425 7.673 ( -0.124 4.405 -2.294) 4.968 7.753 ( -1.079 -3.673 -1.900) 4.274 9.390 ( 1.192 0.828 -0.420) 1.511 9.428 ( 1.895 -2.519 -1.687) 3.575 9.889 ( -2.189 4.759 0.466) 5.259 9.990 ( -2.121 -4.987 -0.778) 5.475 10.253 ( -2.265 8.087 -9.780) 12.891 10.366 ( -4.161 -2.742 -7.706) 9.177 10.543 ( -1.964 4.857 9.378) 10.742 10.607 ( -1.126 -1.063 8.238) 8.382 10.667 ( -5.699 0.264 -3.231) 6.557 10.708 ( -6.709 -3.874 -2.431) 8.120 11.492 ( -3.393 3.940 3.242) 6.128 11.571 ( -2.877 -4.011 3.769) 6.210 18.162 ( -6.483 2.881 -1.517) 7.255 18.273 ( -5.738 -8.728 -2.425) 10.724 18.735 ( -12.969 2.850 0.477) 13.287 18.793 ( -13.850 -2.871 0.664) 14.160 19.160 ( -1.895 7.472 1.938) 7.948 19.307 ( 0.132 -6.913 3.697) 7.841 19.985 ( -0.302 8.076 -2.757) 8.539 20.133 ( -0.290 -6.942 -5.295) 8.736 20.782 ( 1.747 5.185 0.032) 5.472 20.881 ( 2.080 -4.775 -1.436) 5.403 21.274 ( 1.975 3.539 1.421) 4.295 21.327 ( 3.963 -1.822 3.607) 5.660 ======================= Grid point 84 (48/108) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -4.365 19.967 13.076) 24.263 1.301 ( -9.987 16.108 16.191) 24.927 1.515 ( -7.965 -16.333 12.238) 21.909 1.647 ( -0.987 -18.176 9.717) 20.634 1.983 ( -16.946 23.904 11.217) 31.375 2.399 ( -9.015 -12.924 4.430) 16.368 2.552 ( 0.291 10.367 -1.591) 10.492 2.654 ( -0.384 0.542 -3.368) 3.433 2.786 ( -2.859 1.467 2.713) 4.206 2.897 ( 0.472 -6.692 -0.460) 6.725 3.174 ( 3.844 -1.186 -10.560) 11.301 3.193 ( 1.990 -2.161 -6.746) 7.357 3.427 ( 1.235 1.736 3.012) 3.689 3.497 ( 2.941 -3.888 1.914) 5.237 4.064 ( 1.965 4.338 -6.170) 7.795 4.147 ( 2.217 -4.828 -5.223) 7.450 4.523 ( 0.914 5.279 0.338) 5.368 4.587 ( -0.616 -1.780 -0.194) 1.893 4.766 ( 5.684 3.423 -0.054) 6.635 4.848 ( 6.735 -1.059 -0.125) 6.819 4.926 ( 5.091 -2.203 1.135) 5.662 4.981 ( 6.361 -4.963 1.876) 8.283 5.163 ( -7.168 6.517 1.611) 9.821 5.235 ( -3.029 0.010 0.922) 3.166 5.331 ( 0.612 1.627 5.859) 6.111 5.388 ( -0.632 -4.102 2.492) 4.841 5.405 ( 0.272 7.739 -1.446) 7.877 5.569 ( -0.809 -4.456 1.766) 4.861 5.591 ( -4.959 2.420 4.839) 7.340 5.731 ( -7.314 -8.335 2.906) 11.464 5.838 ( 1.433 3.931 -0.381) 4.201 5.886 ( 0.410 0.051 1.835) 1.881 5.985 ( 3.358 3.447 0.777) 4.874 6.087 ( 4.943 -6.013 -3.609) 8.580 6.191 ( -0.471 4.803 1.214) 4.976 6.249 ( -1.727 0.800 2.476) 3.123 6.391 ( 0.351 3.679 0.577) 3.741 6.509 ( 1.368 -2.988 -0.773) 3.376 6.514 ( 1.999 -4.074 3.511) 5.738 6.549 ( 1.935 -2.791 1.528) 3.724 7.095 ( 3.919 2.823 -1.033) 4.939 7.132 ( 3.449 -0.594 0.309) 3.513 7.351 ( -0.128 3.895 -5.243) 6.533 7.387 ( 3.261 0.667 2.215) 3.998 7.456 ( 0.215 -0.930 -0.186) 0.972 7.519 ( -1.741 -6.357 1.052) 6.675 7.712 ( 3.372 4.119 -0.700) 5.369 7.790 ( 3.561 -3.545 1.912) 5.376 9.452 ( 5.202 2.759 -2.337) 6.335 9.505 ( 5.886 -2.387 -3.197) 7.111 9.837 ( -2.993 4.845 2.143) 6.085 9.932 ( -3.919 -3.708 -0.163) 5.398 10.154 ( -5.828 5.212 -10.609) 13.179 10.256 ( -5.721 -3.938 -8.149) 10.707 10.516 ( -5.270 0.969 -2.115) 5.761 10.531 ( -6.521 -0.859 -0.803) 6.626 10.626 ( 5.997 3.755 9.011) 11.457 10.705 ( 6.731 -3.465 6.582) 10.031 11.425 ( -2.928 4.447 2.879) 6.053 11.510 ( -2.971 -4.105 3.011) 5.894 18.030 ( -5.702 3.023 -1.380) 6.600 18.145 ( -6.299 -9.143 -1.787) 11.246 18.507 ( -8.675 1.769 0.160) 8.855 18.550 ( -9.380 -2.324 0.184) 9.665 19.104 ( -3.647 8.338 2.126) 9.345 19.281 ( -2.854 -9.494 2.028) 10.119 19.969 ( -1.224 7.703 -4.298) 8.905 20.114 ( -1.115 -7.088 -7.007) 10.029 20.803 ( 0.222 5.533 0.148) 5.539 20.896 ( -0.333 -3.556 -2.548) 4.387 21.331 ( 2.879 6.119 -0.258) 6.767 21.437 ( 5.204 -4.713 1.491) 7.177 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.614 0.000 20.528) 20.591 1.042 ( -3.740 0.000 27.042) 27.299 1.573 ( -6.435 0.000 27.877) 28.610 2.014 ( -3.500 0.000 -2.238) 4.155 2.216 ( -2.547 0.000 5.588) 6.141 2.262 ( -0.953 0.000 0.893) 1.306 2.317 ( 0.530 0.000 3.159) 3.203 2.560 ( -4.570 0.000 -11.438) 12.317 2.765 ( 2.887 0.000 -1.415) 3.215 3.026 ( 2.295 0.000 2.521) 3.409 3.084 ( 0.817 0.000 -1.849) 2.021 3.158 ( 8.735 0.000 -8.051) 11.879 3.576 ( 0.669 0.000 0.784) 1.031 3.762 ( 0.756 0.000 -5.237) 5.291 3.824 ( -2.353 0.000 4.026) 4.663 4.311 ( 3.838 0.000 -11.514) 12.137 4.349 ( 1.102 0.000 1.833) 2.138 4.561 ( -5.062 0.000 -4.858) 7.016 4.649 ( 5.231 0.000 1.407) 5.418 4.846 ( 1.186 0.000 -3.961) 4.135 4.875 ( -5.906 0.000 5.042) 7.765 5.071 ( 3.209 0.000 8.062) 8.678 5.207 ( 6.691 0.000 -3.465) 7.535 5.262 ( -2.989 0.000 4.509) 5.409 5.354 ( -4.329 0.000 3.591) 5.624 5.412 ( -1.162 0.000 1.253) 1.708 5.452 ( -6.555 0.000 3.809) 7.581 5.579 ( 0.597 0.000 7.757) 7.780 5.740 ( -2.869 0.000 -2.001) 3.498 5.818 ( -4.820 0.000 5.179) 7.075 5.838 ( 7.530 0.000 1.521) 7.682 5.869 ( -0.015 0.000 0.652) 0.652 6.051 ( 2.298 0.000 8.986) 9.275 6.104 ( 0.465 0.000 1.523) 1.592 6.255 ( 3.356 0.000 -4.804) 5.860 6.305 ( 3.901 0.000 8.138) 9.024 6.347 ( -0.763 0.000 1.183) 1.407 6.600 ( 3.132 0.000 4.503) 5.485 6.676 ( -1.615 0.000 0.825) 1.813 6.740 ( -8.645 0.000 -3.927) 9.495 7.005 ( -1.589 0.000 -5.239) 5.475 7.059 ( -4.398 0.000 -3.956) 5.916 7.178 ( -3.243 0.000 -4.004) 5.153 7.179 ( 2.351 0.000 -1.940) 3.048 7.542 ( 2.079 0.000 4.151) 4.643 7.635 ( 2.214 0.000 -3.594) 4.221 7.643 ( 2.448 0.000 -0.897) 2.607 7.830 ( -7.110 0.000 -2.784) 7.636 9.481 ( -1.892 0.000 -1.147) 2.212 9.491 ( 2.551 0.000 0.234) 2.562 9.731 ( 5.883 0.000 2.545) 6.410 9.798 ( 1.337 0.000 4.686) 4.873 10.151 ( -1.698 0.000 -1.619) 2.346 10.166 ( 1.000 0.000 -3.315) 3.462 10.272 ( -8.317 0.000 -5.965) 10.235 10.289 ( -2.023 0.000 -8.032) 8.283 10.825 ( 1.322 0.000 6.328) 6.464 11.180 ( 1.629 0.000 -3.214) 3.603 11.594 ( -3.391 0.000 1.852) 3.864 11.623 ( 23.986 0.000 0.021) 23.986 17.965 ( 1.914 0.000 -0.140) 1.919 18.240 ( 0.001 0.000 -7.266) 7.266 18.499 ( 1.002 0.000 0.351) 1.061 18.513 ( -10.464 0.000 -2.686) 10.803 19.029 ( 2.620 0.000 0.069) 2.621 19.037 ( -29.670 0.000 1.263) 29.697 19.598 ( -5.322 0.000 -0.261) 5.329 19.995 ( 4.565 0.000 -10.331) 11.295 20.667 ( 0.625 0.000 3.296) 3.355 20.674 ( -4.835 0.000 4.410) 6.544 21.222 ( 1.139 0.000 2.058) 2.352 21.532 ( -1.623 0.000 -6.126) 6.337 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 12.807 0.000 16.763) 21.096 0.960 ( -1.707 0.000 26.615) 26.670 1.692 ( 13.919 0.000 26.190) 29.659 1.998 ( 1.605 0.000 -5.836) 6.052 2.179 ( -1.023 0.000 3.760) 3.897 2.256 ( 0.838 0.000 3.295) 3.399 2.344 ( 1.788 0.000 3.084) 3.564 2.512 ( 0.320 0.000 -9.432) 9.438 2.825 ( 1.931 0.000 -0.362) 1.964 3.044 ( -0.401 0.000 2.832) 2.860 3.072 ( -0.678 0.000 -0.408) 0.791 3.329 ( 6.790 0.000 -7.081) 9.811 3.606 ( 1.096 0.000 -0.139) 1.105 3.695 ( -5.214 0.000 4.631) 6.974 3.800 ( 3.358 0.000 -4.803) 5.860 4.247 ( -6.961 0.000 -7.463) 10.205 4.344 ( -2.704 0.000 3.028) 4.059 4.550 ( 0.962 0.000 -8.328) 8.383 4.788 ( -0.685 0.000 3.526) 3.592 4.832 ( 8.214 0.000 2.235) 8.513 4.895 ( 4.207 0.000 -3.982) 5.793 5.112 ( -3.172 0.000 -0.366) 3.193 5.169 ( -4.477 0.000 4.271) 6.188 5.244 ( -10.374 0.000 -1.141) 10.436 5.262 ( -1.824 0.000 10.303) 10.463 5.329 ( 3.010 0.000 -0.263) 3.022 5.442 ( 2.954 0.000 3.144) 4.314 5.561 ( -2.143 0.000 4.854) 5.306 5.695 ( -2.225 0.000 5.257) 5.709 5.709 ( -5.658 0.000 3.226) 6.513 5.927 ( 4.243 0.000 -1.045) 4.369 5.980 ( 2.411 0.000 2.864) 3.744 6.083 ( -1.318 0.000 2.808) 3.102 6.137 ( 7.087 0.000 4.117) 8.196 6.281 ( -0.761 0.000 -2.230) 2.356 6.294 ( -2.866 0.000 -0.872) 2.996 6.377 ( 1.397 0.000 1.301) 1.908 6.526 ( -11.016 0.000 -3.376) 11.522 6.604 ( -4.954 0.000 6.846) 8.450 6.669 ( 1.461 0.000 2.345) 2.763 6.901 ( -7.979 0.000 -4.581) 9.200 6.962 ( -1.571 0.000 -6.841) 7.019 7.151 ( -0.050 0.000 -0.326) 0.330 7.227 ( 2.473 0.000 -0.627) 2.551 7.561 ( -0.381 0.000 2.250) 2.282 7.563 ( -10.632 0.000 1.044) 10.684 7.643 ( -1.069 0.000 -3.391) 3.555 7.730 ( 0.283 0.000 -3.096) 3.109 9.490 ( 2.325 0.000 -1.125) 2.583 9.567 ( 4.710 0.000 2.024) 5.126 9.824 ( 1.252 0.000 4.792) 4.953 9.846 ( 2.750 0.000 5.786) 6.406 10.151 ( -2.509 0.000 -8.139) 8.517 10.159 ( 2.845 0.000 -2.820) 4.006 10.215 ( 4.334 0.000 -2.400) 4.954 10.263 ( -0.275 0.000 -7.310) 7.316 10.852 ( 1.241 0.000 3.888) 4.081 11.163 ( -1.169 0.000 -3.074) 3.288 11.574 ( 1.249 0.000 0.621) 1.395 11.952 ( 3.634 0.000 -2.894) 4.646 18.073 ( 7.976 0.000 -0.195) 7.979 18.083 ( -9.813 0.000 5.487) 11.243 18.425 ( 8.080 0.000 -0.541) 8.098 18.601 ( 8.713 0.000 0.801) 8.750 18.762 ( -1.764 0.000 3.540) 3.956 19.109 ( 4.863 0.000 3.398) 5.933 19.485 ( -5.354 0.000 -0.604) 5.388 20.066 ( 2.617 0.000 -11.885) 12.169 20.629 ( -0.320 0.000 2.981) 2.999 20.687 ( 1.137 0.000 3.775) 3.942 21.236 ( 0.183 0.000 2.000) 2.008 21.457 ( -4.623 0.000 -3.257) 5.655 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 15.705 0.000 14.023) 21.055 1.281 ( 18.236 0.000 10.918) 21.255 2.011 ( 9.616 0.000 1.482) 9.730 2.078 ( 9.670 0.000 11.567) 15.076 2.193 ( 2.369 0.000 1.699) 2.915 2.324 ( 6.510 0.000 7.593) 10.002 2.386 ( 2.085 0.000 3.804) 4.338 2.546 ( 3.068 0.000 -6.630) 7.306 2.813 ( -2.962 0.000 3.513) 4.595 3.060 ( 2.583 0.000 2.413) 3.535 3.061 ( -0.459 0.000 -3.318) 3.349 3.424 ( 3.274 0.000 -2.612) 4.189 3.607 ( 1.966 0.000 -1.438) 2.436 3.718 ( 3.631 0.000 3.768) 5.232 3.882 ( 4.245 0.000 -3.314) 5.385 4.105 ( -6.040 0.000 -3.799) 7.135 4.286 ( -2.043 0.000 2.702) 3.387 4.510 ( -3.781 0.000 -7.398) 8.308 4.707 ( -6.131 0.000 8.012) 10.089 4.945 ( -5.400 0.000 0.465) 5.420 4.977 ( -5.895 0.000 -2.486) 6.398 5.035 ( -3.280 0.000 -1.787) 3.736 5.058 ( 8.186 0.000 -1.835) 8.389 5.140 ( 0.932 0.000 1.147) 1.478 5.159 ( -8.174 0.000 8.208) 11.584 5.384 ( 1.109 0.000 0.783) 1.358 5.498 ( 2.044 0.000 -2.484) 3.216 5.567 ( -3.708 0.000 10.246) 10.897 5.629 ( 0.526 0.000 3.050) 3.095 5.631 ( -0.711 0.000 1.528) 1.685 5.942 ( -4.427 0.000 4.315) 6.182 5.989 ( 1.039 0.000 -2.144) 2.383 6.068 ( -0.113 0.000 4.943) 4.945 6.177 ( -9.624 0.000 -5.504) 11.086 6.216 ( -2.441 0.000 2.812) 3.724 6.288 ( -9.053 0.000 -0.130) 9.054 6.352 ( 8.819 0.000 -5.479) 10.382 6.367 ( -2.865 0.000 -1.609) 3.286 6.559 ( -10.526 0.000 1.243) 10.599 6.570 ( 1.081 0.000 7.031) 7.113 6.855 ( 2.056 0.000 -3.466) 4.030 6.956 ( 1.513 0.000 -3.605) 3.909 7.163 ( 1.185 0.000 -2.419) 2.693 7.272 ( 1.601 0.000 -1.744) 2.367 7.385 ( -5.672 0.000 0.172) 5.674 7.540 ( -1.289 0.000 1.427) 1.923 7.600 ( -2.631 0.000 -3.271) 4.198 7.732 ( -0.236 0.000 -3.385) 3.394 9.549 ( 3.073 0.000 0.194) 3.079 9.663 ( 3.555 0.000 4.022) 5.368 9.799 ( -1.899 0.000 5.448) 5.769 9.912 ( 3.473 0.000 4.395) 5.601 10.140 ( 0.913 0.000 -7.891) 7.944 10.217 ( 0.284 0.000 0.423) 0.509 10.295 ( 5.790 0.000 -10.949) 12.386 10.334 ( 6.889 0.000 -2.991) 7.510 10.894 ( 2.873 0.000 1.271) 3.141 11.140 ( -1.124 0.000 -1.833) 2.151 11.626 ( 3.201 0.000 0.770) 3.292 11.861 ( -8.289 0.000 9.083) 12.297 18.115 ( 9.002 0.000 1.040) 9.062 18.242 ( 7.609 0.000 -0.204) 7.612 18.636 ( 9.562 0.000 -3.284) 10.110 18.833 ( 8.995 0.000 3.993) 9.841 18.842 ( 14.115 0.000 0.617) 14.129 19.190 ( 1.149 0.000 5.965) 6.074 19.424 ( 1.236 0.000 -0.986) 1.581 20.090 ( 0.778 0.000 -11.229) 11.256 20.640 ( 0.788 0.000 0.085) 0.793 20.715 ( 1.251 0.000 3.637) 3.846 21.238 ( 0.122 0.000 1.654) 1.658 21.368 ( -3.496 0.000 -1.211) 3.700 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 21.531 0.000 4.635) 22.025 1.651 ( 16.684 0.000 6.865) 18.041 2.115 ( 4.750 0.000 -5.713) 7.430 2.270 ( 4.683 0.000 0.465) 4.707 2.272 ( 5.653 0.000 10.099) 11.574 2.435 ( 2.464 0.000 3.378) 4.181 2.556 ( 13.007 0.000 13.161) 18.504 2.619 ( 4.256 0.000 -3.447) 5.477 2.751 ( -2.594 0.000 3.900) 4.684 3.035 ( -2.198 0.000 -4.541) 5.045 3.140 ( 4.637 0.000 3.583) 5.860 3.475 ( 1.994 0.000 0.346) 2.024 3.682 ( 4.086 0.000 -1.813) 4.470 3.777 ( 1.347 0.000 5.086) 5.261 3.922 ( -1.347 0.000 -1.526) 2.036 4.020 ( -1.639 0.000 -1.600) 2.290 4.280 ( 1.184 0.000 1.835) 2.184 4.433 ( -2.425 0.000 -4.502) 5.113 4.595 ( -3.784 0.000 6.886) 7.857 4.750 ( -9.573 0.000 3.151) 10.078 4.801 ( -9.767 0.000 -4.437) 10.727 5.003 ( -4.879 0.000 7.155) 8.660 5.042 ( 0.752 0.000 -2.552) 2.660 5.164 ( 0.372 0.000 -2.964) 2.987 5.166 ( -2.766 0.000 2.562) 3.770 5.359 ( -2.867 0.000 0.233) 2.877 5.518 ( 3.409 0.000 5.524) 6.491 5.549 ( 3.550 0.000 -3.466) 4.961 5.651 ( -1.314 0.000 1.937) 2.340 5.679 ( 3.309 0.000 0.533) 3.351 5.826 ( -6.747 0.000 0.738) 6.787 5.905 ( -8.428 0.000 -7.308) 11.155 6.004 ( -6.143 0.000 2.293) 6.557 6.078 ( 0.302 0.000 7.604) 7.610 6.137 ( -3.449 0.000 -1.562) 3.786 6.169 ( -1.883 0.000 3.356) 3.849 6.340 ( -10.157 0.000 2.972) 10.583 6.343 ( -0.554 0.000 -3.166) 3.214 6.485 ( 4.097 0.000 -3.035) 5.099 6.604 ( 1.579 0.000 1.236) 2.005 6.897 ( 2.094 0.000 -3.100) 3.741 7.019 ( 4.584 0.000 1.169) 4.731 7.172 ( -0.634 0.000 -5.460) 5.497 7.271 ( -1.741 0.000 -3.091) 3.548 7.347 ( 1.396 0.000 0.882) 1.651 7.526 ( -0.625 0.000 -2.827) 2.896 7.546 ( -1.659 0.000 1.189) 2.041 7.725 ( 0.178 0.000 -5.313) 5.316 9.608 ( 2.545 0.000 1.814) 3.125 9.672 ( -2.161 0.000 5.352) 5.772 9.818 ( 2.541 0.000 4.684) 5.329 9.988 ( 3.472 0.000 2.895) 4.521 10.160 ( 1.357 0.000 -7.329) 7.454 10.193 ( -1.738 0.000 -3.068) 3.526 10.435 ( 7.319 0.000 -8.622) 11.310 10.469 ( 6.199 0.000 -3.566) 7.152 10.964 ( 3.594 0.000 0.297) 3.606 11.109 ( -1.989 0.000 2.037) 2.847 11.688 ( 2.686 0.000 1.093) 2.900 11.726 ( -4.981 0.000 10.314) 11.454 18.315 ( 9.034 0.000 -2.627) 9.408 18.364 ( 4.367 0.000 -0.138) 4.370 18.779 ( 6.096 0.000 -2.626) 6.638 19.045 ( 0.237 0.000 4.544) 4.550 19.095 ( 13.535 0.000 4.518) 14.270 19.255 ( 10.920 0.000 -0.486) 10.931 19.523 ( 6.490 0.000 1.762) 6.725 20.098 ( 0.878 0.000 -9.660) 9.700 20.649 ( 0.134 0.000 -1.115) 1.123 20.739 ( 0.841 0.000 2.985) 3.101 21.249 ( 0.931 0.000 1.171) 1.496 21.324 ( -0.782 0.000 -0.251) 0.821 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 9.684 0.000 4.242) 10.573 1.932 ( 16.311 0.000 1.959) 16.428 2.219 ( 5.723 0.000 -4.579) 7.329 2.348 ( 1.378 0.000 7.808) 7.929 2.368 ( 4.459 0.000 -0.741) 4.520 2.480 ( 1.279 0.000 1.619) 2.063 2.702 ( -1.343 0.000 4.109) 4.323 2.705 ( 3.809 0.000 0.016) 3.809 2.766 ( 4.367 0.000 8.751) 9.780 2.974 ( -2.661 0.000 -2.500) 3.651 3.250 ( 6.101 0.000 4.204) 7.409 3.508 ( 1.051 0.000 1.235) 1.622 3.711 ( -1.257 0.000 3.898) 4.096 3.794 ( 0.076 0.000 3.697) 3.697 3.874 ( -1.650 0.000 -0.049) 1.650 3.983 ( -2.714 0.000 -1.862) 3.291 4.319 ( 1.827 0.000 1.871) 2.615 4.412 ( -0.086 0.000 -1.561) 1.563 4.554 ( -3.437 0.000 1.475) 3.740 4.597 ( -5.418 0.000 3.151) 6.268 4.685 ( 2.660 0.000 0.482) 2.703 4.936 ( -2.400 0.000 4.508) 5.107 5.045 ( -6.029 0.000 3.588) 7.016 5.052 ( 0.857 0.000 -2.115) 2.282 5.166 ( 0.600 0.000 -4.641) 4.680 5.288 ( -4.087 0.000 -3.194) 5.187 5.541 ( -9.354 0.000 3.667) 10.047 5.613 ( -0.712 0.000 -1.485) 1.646 5.644 ( 4.351 0.000 0.901) 4.444 5.649 ( -2.255 0.000 -4.908) 5.402 5.732 ( -0.091 0.000 -1.938) 1.940 5.823 ( 0.213 0.000 3.630) 3.637 5.938 ( 1.050 0.000 -1.571) 1.889 6.044 ( -5.063 0.000 7.294) 8.879 6.123 ( 1.021 0.000 -2.303) 2.519 6.152 ( 0.096 0.000 0.834) 0.840 6.187 ( -4.360 0.000 7.049) 8.289 6.320 ( -1.651 0.000 -3.735) 4.083 6.525 ( 0.391 0.000 -0.639) 0.749 6.634 ( 1.505 0.000 -2.302) 2.750 6.944 ( 2.884 0.000 -2.196) 3.625 7.129 ( 5.669 0.000 4.088) 6.989 7.137 ( -2.282 0.000 -4.591) 5.127 7.209 ( -3.826 0.000 -2.178) 4.402 7.389 ( 1.656 0.000 0.806) 1.842 7.475 ( -2.924 0.000 -6.887) 7.482 7.558 ( 0.941 0.000 3.428) 3.555 7.744 ( 2.052 0.000 -7.609) 7.881 9.626 ( -2.318 0.000 4.300) 4.885 9.655 ( 1.970 0.000 2.716) 3.355 9.859 ( 0.875 0.000 5.747) 5.813 10.035 ( 0.355 0.000 2.906) 2.928 10.166 ( -0.009 0.000 -5.327) 5.327 10.184 ( 1.404 0.000 -7.774) 7.900 10.561 ( 5.333 0.000 -8.124) 9.718 10.576 ( 4.465 0.000 -3.785) 5.853 11.027 ( 2.334 0.000 0.348) 2.360 11.062 ( -2.850 0.000 5.748) 6.416 11.663 ( -2.169 0.000 6.968) 7.298 11.734 ( 1.809 0.000 1.577) 2.399 18.425 ( 1.660 0.000 0.584) 1.760 18.457 ( 5.156 0.000 -3.825) 6.420 18.907 ( 6.603 0.000 -1.470) 6.764 18.984 ( -3.686 0.000 2.691) 4.564 19.312 ( 6.558 0.000 5.418) 8.506 19.499 ( 9.824 0.000 0.192) 9.826 19.645 ( 5.002 0.000 1.407) 5.196 20.120 ( 1.913 0.000 -8.259) 8.478 20.657 ( 1.138 0.000 -0.802) 1.392 20.750 ( 0.094 0.000 2.038) 2.040 21.271 ( 0.873 0.000 0.726) 1.135 21.325 ( 0.531 0.000 0.259) 0.591 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -1.170 0.000 3.287) 3.489 2.110 ( -1.244 0.000 3.660) 3.866 2.309 ( 0.966 0.000 0.074) 0.969 2.382 ( 4.776 0.000 1.191) 4.922 2.413 ( -1.045 0.000 -5.610) 5.707 2.483 ( -0.271 0.000 2.872) 2.885 2.661 ( -2.767 0.000 3.917) 4.796 2.752 ( 0.694 0.000 0.326) 0.767 2.798 ( -0.119 0.000 4.864) 4.866 2.969 ( 2.043 0.000 4.031) 4.519 3.384 ( 5.882 0.000 3.798) 7.002 3.510 ( -0.995 0.000 -0.033) 0.995 3.687 ( -1.052 0.000 5.858) 5.952 3.753 ( -4.165 0.000 6.136) 7.416 3.884 ( 2.551 0.000 0.063) 2.552 3.918 ( -2.944 0.000 -2.368) 3.779 4.296 ( -4.168 0.000 1.033) 4.294 4.424 ( 2.096 0.000 -0.306) 2.119 4.524 ( -2.421 0.000 1.610) 2.908 4.559 ( 5.079 0.000 1.518) 5.301 4.791 ( 2.555 0.000 5.358) 5.936 4.928 ( 2.538 0.000 2.798) 3.778 5.013 ( 4.516 0.000 -2.982) 5.411 5.093 ( 2.958 0.000 -0.269) 2.971 5.152 ( -5.087 0.000 -10.282) 11.471 5.213 ( 0.696 0.000 -1.346) 1.516 5.339 ( -9.127 0.000 4.991) 10.402 5.545 ( -0.327 0.000 -2.129) 2.154 5.638 ( -2.101 0.000 0.286) 2.120 5.694 ( 2.723 0.000 -2.971) 4.031 5.771 ( -1.756 0.000 -0.760) 1.914 5.844 ( 1.287 0.000 7.064) 7.180 5.956 ( -0.779 0.000 4.560) 4.626 6.011 ( 5.278 0.000 -4.753) 7.103 6.117 ( -3.202 0.000 5.642) 6.488 6.160 ( 2.576 0.000 -1.107) 2.804 6.182 ( 1.834 0.000 2.639) 3.214 6.266 ( -3.524 0.000 -2.338) 4.229 6.518 ( -0.682 0.000 0.739) 1.006 6.662 ( 1.333 0.000 -4.060) 4.274 7.015 ( 4.033 0.000 -2.825) 4.924 7.082 ( -2.509 0.000 -2.339) 3.430 7.123 ( -4.104 0.000 -0.906) 4.203 7.246 ( 5.006 0.000 5.604) 7.514 7.401 ( -0.453 0.000 0.322) 0.556 7.408 ( -3.131 0.000 -7.276) 7.921 7.565 ( -0.534 0.000 1.219) 1.330 7.787 ( 2.151 0.000 -7.944) 8.230 9.584 ( -2.173 0.000 3.182) 3.853 9.691 ( 1.332 0.000 2.937) 3.225 9.858 ( -1.269 0.000 6.132) 6.262 10.007 ( -2.615 0.000 2.135) 3.376 10.184 ( 1.495 0.000 -5.466) 5.667 10.202 ( 0.713 0.000 -8.117) 8.149 10.637 ( 2.492 0.000 -7.829) 8.216 10.642 ( 2.204 0.000 -3.596) 4.218 10.997 ( -4.120 0.000 7.688) 8.722 11.052 ( 0.014 0.000 0.550) 0.550 11.632 ( -1.521 0.000 4.555) 4.803 11.768 ( 1.465 0.000 2.446) 2.851 18.434 ( -0.799 0.000 1.626) 1.811 18.525 ( 1.935 0.000 -5.296) 5.639 18.927 ( -1.971 0.000 0.030) 1.972 19.046 ( 7.088 0.000 0.007) 7.088 19.355 ( -2.418 0.000 5.453) 5.965 19.598 ( -0.721 0.000 3.687) 3.756 19.734 ( 3.985 0.000 -1.994) 4.456 20.160 ( 2.090 0.000 -7.110) 7.411 20.701 ( 3.197 0.000 -0.442) 3.227 20.745 ( -0.633 0.000 1.120) 1.287 21.273 ( -0.979 0.000 0.485) 1.093 21.333 ( 0.116 0.000 0.595) 0.606 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -10.728 0.000 4.009) 11.453 1.919 ( -14.776 0.000 6.424) 16.112 2.300 ( -2.410 0.000 1.231) 2.706 2.346 ( -3.568 0.000 -6.923) 7.789 2.457 ( 0.592 0.000 -2.409) 2.481 2.481 ( -0.371 0.000 1.242) 1.296 2.609 ( -1.685 0.000 4.072) 4.406 2.733 ( -2.727 0.000 1.767) 3.249 2.802 ( -0.085 0.000 4.889) 4.890 3.013 ( 1.069 0.000 5.551) 5.653 3.426 ( -3.853 0.000 5.167) 6.446 3.460 ( -4.128 0.000 -0.162) 4.131 3.629 ( -4.040 0.000 6.398) 7.567 3.716 ( 0.391 0.000 6.263) 6.275 3.878 ( -0.741 0.000 -4.996) 5.050 3.955 ( 3.716 0.000 -0.781) 3.798 4.219 ( -2.519 0.000 0.112) 2.522 4.495 ( 0.460 0.000 -0.474) 0.661 4.523 ( 6.948 0.000 0.431) 6.962 4.670 ( 3.306 0.000 3.971) 5.168 4.829 ( 4.088 0.000 4.786) 6.294 5.014 ( -4.927 0.000 -9.514) 10.714 5.020 ( 6.323 0.000 2.717) 6.882 5.107 ( -0.660 0.000 -0.851) 1.077 5.165 ( 2.536 0.000 0.407) 2.568 5.274 ( 4.481 0.000 0.410) 4.499 5.309 ( 9.425 0.000 -1.330) 9.518 5.576 ( -5.128 0.000 1.150) 5.256 5.597 ( 4.380 0.000 -4.217) 6.080 5.666 ( -5.139 0.000 1.487) 5.349 5.754 ( 3.386 0.000 -2.984) 4.513 5.870 ( 1.535 0.000 6.579) 6.755 5.986 ( 0.157 0.000 5.337) 5.339 6.058 ( -1.323 0.000 2.630) 2.944 6.127 ( 5.062 0.000 -4.405) 6.710 6.178 ( -4.178 0.000 -1.483) 4.433 6.226 ( 4.037 0.000 1.912) 4.467 6.230 ( 2.389 0.000 2.781) 3.666 6.509 ( -0.134 0.000 1.010) 1.019 6.681 ( 0.878 0.000 -4.175) 4.266 7.023 ( -1.711 0.000 -3.513) 3.907 7.048 ( -2.895 0.000 -1.000) 3.063 7.123 ( 5.479 0.000 -1.064) 5.582 7.296 ( -2.144 0.000 -2.260) 3.115 7.380 ( 2.356 0.000 2.777) 3.642 7.383 ( -0.966 0.000 -0.542) 1.107 7.537 ( -2.098 0.000 -2.004) 2.902 7.807 ( 0.099 0.000 -7.099) 7.099 9.539 ( -2.373 0.000 2.175) 3.219 9.710 ( 0.293 0.000 2.842) 2.857 9.819 ( -2.892 0.000 5.864) 6.538 9.949 ( -3.027 0.000 1.620) 3.433 10.203 ( -0.125 0.000 -7.885) 7.886 10.205 ( 0.824 0.000 -5.185) 5.250 10.653 ( -0.481 0.000 -7.453) 7.468 10.662 ( 0.069 0.000 -3.258) 3.258 10.902 ( -5.636 0.000 8.493) 10.192 11.025 ( -2.752 0.000 0.831) 2.875 11.600 ( -1.954 0.000 3.701) 4.185 11.797 ( 1.145 0.000 3.658) 3.833 18.393 ( -3.463 0.000 1.880) 3.940 18.535 ( -0.463 0.000 -6.804) 6.820 18.901 ( -0.701 0.000 -2.143) 2.254 19.186 ( 4.090 0.000 0.733) 4.155 19.247 ( -5.478 0.000 5.238) 7.579 19.488 ( -9.778 0.000 3.540) 10.399 19.794 ( 1.794 0.000 -2.079) 2.746 20.180 ( 0.058 0.000 -7.211) 7.211 20.726 ( -1.275 0.000 0.475) 1.361 20.784 ( 4.880 0.000 -0.863) 4.955 21.233 ( -2.701 0.000 0.625) 2.772 21.330 ( -0.326 0.000 0.660) 0.736 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -16.496 0.000 10.000) 19.290 1.624 ( -15.810 0.000 6.431) 17.068 2.199 ( -7.187 0.000 -0.629) 7.214 2.290 ( -1.341 0.000 -5.779) 5.932 2.397 ( -5.094 0.000 -2.571) 5.706 2.471 ( -0.839 0.000 -0.635) 1.052 2.610 ( 0.165 0.000 5.845) 5.848 2.659 ( -3.411 0.000 1.235) 3.628 2.777 ( -2.883 0.000 8.579) 9.051 3.003 ( -2.421 0.000 2.868) 3.754 3.244 ( -12.391 0.000 7.896) 14.693 3.347 ( -6.425 0.000 -0.820) 6.477 3.586 ( -0.740 0.000 1.896) 2.035 3.714 ( -1.426 0.000 6.349) 6.508 3.858 ( -1.421 0.000 -6.489) 6.643 4.019 ( 2.704 0.000 -2.941) 3.995 4.200 ( 0.410 0.000 0.293) 0.504 4.533 ( 3.493 0.000 -3.060) 4.644 4.700 ( 9.391 0.000 0.451) 9.402 4.717 ( 2.640 0.000 6.540) 7.053 4.935 ( 3.412 0.000 0.990) 3.553 4.979 ( 2.337 0.000 -6.658) 7.056 5.121 ( 3.715 0.000 2.546) 4.504 5.166 ( -3.070 0.000 0.593) 3.126 5.184 ( 8.999 0.000 2.760) 9.413 5.382 ( 5.327 0.000 3.393) 6.316 5.402 ( -9.088 0.000 1.451) 9.203 5.516 ( 4.775 0.000 -4.167) 6.338 5.664 ( 1.737 0.000 -3.434) 3.848 5.669 ( 7.396 0.000 -0.310) 7.403 5.814 ( 2.748 0.000 -0.667) 2.827 5.940 ( -3.146 0.000 8.670) 9.223 5.949 ( 4.900 0.000 -1.529) 5.133 6.079 ( -3.782 0.000 4.273) 5.706 6.088 ( 2.608 0.000 1.514) 3.016 6.212 ( 2.795 0.000 -0.031) 2.795 6.257 ( -0.669 0.000 2.835) 2.913 6.348 ( 7.558 0.000 -1.064) 7.633 6.516 ( 0.827 0.000 0.915) 1.233 6.704 ( 2.120 0.000 -3.125) 3.776 7.008 ( 0.623 0.000 -1.517) 1.640 7.014 ( -0.140 0.000 -2.380) 2.384 7.219 ( -4.245 0.000 -5.640) 7.059 7.236 ( 4.733 0.000 -3.842) 6.097 7.387 ( 2.654 0.000 -0.600) 2.721 7.431 ( 0.480 0.000 9.400) 9.412 7.501 ( 0.089 0.000 -6.098) 6.099 7.784 ( -1.731 0.000 -6.093) 6.334 9.492 ( -2.223 0.000 1.129) 2.493 9.702 ( -1.313 0.000 2.430) 2.762 9.752 ( -3.881 0.000 5.320) 6.585 9.890 ( -2.820 0.000 1.106) 3.029 10.191 ( -0.494 0.000 -7.052) 7.069 10.214 ( 0.449 0.000 -4.403) 4.426 10.606 ( -3.908 0.000 -6.531) 7.610 10.646 ( -1.403 0.000 -3.484) 3.756 10.791 ( -5.059 0.000 8.677) 10.044 10.943 ( -5.184 0.000 1.867) 5.510 11.552 ( -3.055 0.000 3.798) 4.874 11.811 ( -0.338 0.000 4.916) 4.927 18.293 ( -6.376 0.000 1.106) 6.471 18.500 ( -2.558 0.000 -7.891) 8.295 18.879 ( -2.076 0.000 -3.501) 4.070 19.012 ( -12.006 0.000 2.577) 12.279 19.241 ( -13.204 0.000 2.469) 13.433 19.361 ( 7.790 0.000 2.577) 8.205 19.803 ( -0.790 0.000 -1.361) 1.574 20.152 ( -2.333 0.000 -9.267) 9.556 20.697 ( -1.475 0.000 0.367) 1.520 20.882 ( 4.035 0.000 -2.145) 4.570 21.181 ( -1.963 0.000 1.089) 2.245 21.334 ( 1.186 0.000 0.358) 1.238 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -17.227 0.000 10.540) 20.196 1.292 ( -13.315 0.000 16.068) 20.868 2.027 ( -9.368 0.000 -0.872) 9.409 2.277 ( -0.142 0.000 -0.554) 0.572 2.295 ( -3.965 0.000 -3.175) 5.079 2.413 ( -4.819 0.000 3.137) 5.750 2.497 ( -13.251 0.000 17.333) 21.818 2.666 ( 4.494 0.000 -11.070) 11.948 2.759 ( 1.115 0.000 8.637) 8.709 2.921 ( -5.068 0.000 0.824) 5.134 3.017 ( -8.191 0.000 0.330) 8.198 3.223 ( -5.175 0.000 -1.416) 5.365 3.596 ( 1.033 0.000 1.054) 1.476 3.682 ( -0.857 0.000 6.663) 6.718 3.813 ( -2.318 0.000 -5.774) 6.222 4.078 ( 3.974 0.000 -6.544) 7.656 4.231 ( 2.609 0.000 0.925) 2.768 4.618 ( 4.572 0.000 -6.073) 7.601 4.790 ( 2.347 0.000 6.060) 6.499 4.884 ( 8.498 0.000 -0.431) 8.509 4.939 ( -2.364 0.000 1.418) 2.757 5.042 ( -8.361 0.000 -0.473) 8.374 5.086 ( 7.563 0.000 -2.950) 8.118 5.135 ( -5.007 0.000 2.223) 5.478 5.288 ( 1.417 0.000 2.695) 3.045 5.395 ( 10.437 0.000 3.281) 10.941 5.461 ( 1.569 0.000 6.486) 6.673 5.572 ( 2.865 0.000 -1.510) 3.239 5.653 ( -3.089 0.000 -0.360) 3.110 5.869 ( 2.500 0.000 2.542) 3.565 5.870 ( 8.531 0.000 -4.339) 9.571 5.898 ( -1.091 0.000 8.798) 8.866 5.987 ( -1.270 0.000 0.349) 1.317 6.071 ( 3.162 0.000 -1.037) 3.328 6.160 ( 4.746 0.000 2.806) 5.514 6.193 ( -5.228 0.000 3.198) 6.128 6.238 ( -0.475 0.000 1.634) 1.702 6.524 ( 8.830 0.000 -1.430) 8.945 6.542 ( 1.382 0.000 1.991) 2.424 6.781 ( 5.227 0.000 -0.868) 5.298 7.038 ( 2.051 0.000 -4.252) 4.721 7.040 ( 2.128 0.000 0.110) 2.130 7.131 ( -3.481 0.000 -5.670) 6.653 7.281 ( 0.678 0.000 -6.998) 7.030 7.423 ( 0.213 0.000 3.480) 3.487 7.504 ( 6.706 0.000 -1.269) 6.825 7.533 ( 2.173 0.000 -1.153) 2.460 7.759 ( 1.150 0.000 -4.485) 4.630 9.458 ( -0.903 0.000 -0.225) 0.930 9.656 ( -3.443 0.000 1.285) 3.675 9.678 ( -3.268 0.000 4.873) 5.867 9.836 ( -2.503 0.000 0.667) 2.591 10.176 ( -0.550 0.000 -5.947) 5.973 10.220 ( 0.211 0.000 -3.083) 3.090 10.488 ( -6.618 0.000 -5.373) 8.525 10.594 ( -4.062 0.000 -5.340) 6.709 10.749 ( 1.740 0.000 8.949) 9.117 10.838 ( -4.409 0.000 4.846) 6.552 11.480 ( -4.188 0.000 4.186) 5.922 11.779 ( -3.226 0.000 5.482) 6.361 18.143 ( -7.906 0.000 0.208) 7.909 18.416 ( -5.376 0.000 -7.978) 9.620 18.761 ( -9.687 0.000 -2.681) 10.051 18.783 ( -9.523 0.000 0.427) 9.532 19.042 ( -4.881 0.000 0.117) 4.882 19.515 ( 6.608 0.000 1.074) 6.694 19.765 ( -2.751 0.000 -0.773) 2.858 20.073 ( -4.902 0.000 -13.234) 14.113 20.671 ( -1.016 0.000 1.068) 1.475 20.910 ( -1.776 0.000 -2.651) 3.191 21.165 ( 0.377 0.000 1.546) 1.592 21.397 ( 5.051 0.000 -1.535) 5.280 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -13.831 0.000 16.320) 21.392 1.101 ( -6.102 0.000 23.166) 23.956 1.808 ( -12.966 0.000 10.228) 16.515 2.172 ( -11.777 0.000 8.830) 14.720 2.264 ( -1.831 0.000 4.902) 5.233 2.280 ( -2.107 0.000 2.843) 3.539 2.329 ( -2.484 0.000 3.159) 4.019 2.685 ( -5.055 0.000 -12.575) 13.553 2.753 ( -1.688 0.000 3.334) 3.737 2.925 ( 8.473 0.000 -8.617) 12.085 2.966 ( 2.339 0.000 0.175) 2.346 3.143 ( -2.647 0.000 0.556) 2.705 3.585 ( -1.346 0.000 1.222) 1.818 3.748 ( 6.015 0.000 6.360) 8.754 3.771 ( -1.232 0.000 -5.269) 5.411 4.185 ( 6.865 0.000 -9.425) 11.660 4.303 ( 3.825 0.000 1.382) 4.067 4.669 ( -1.124 0.000 -7.405) 7.490 4.696 ( -8.456 0.000 1.276) 8.552 4.873 ( -5.639 0.000 -1.255) 5.777 4.952 ( 1.246 0.000 4.667) 4.830 5.046 ( -3.055 0.000 7.608) 8.198 5.054 ( 8.026 0.000 -0.921) 8.079 5.234 ( 5.636 0.000 -1.806) 5.918 5.340 ( 3.076 0.000 2.521) 3.977 5.455 ( -2.053 0.000 6.612) 6.924 5.556 ( -5.356 0.000 2.738) 6.015 5.601 ( 0.146 0.000 0.952) 0.963 5.619 ( 9.383 0.000 1.793) 9.553 5.857 ( -3.502 0.000 2.113) 4.090 5.894 ( -1.073 0.000 3.183) 3.358 5.922 ( -4.810 0.000 2.645) 5.490 5.992 ( 3.283 0.000 3.882) 5.084 6.102 ( -1.918 0.000 2.045) 2.804 6.163 ( 5.302 0.000 -6.067) 8.058 6.240 ( 1.521 0.000 7.524) 7.676 6.285 ( 5.977 0.000 3.476) 6.914 6.565 ( 0.727 0.000 3.457) 3.533 6.655 ( 3.752 0.000 -2.360) 4.433 6.850 ( -0.674 0.000 -0.783) 1.033 7.030 ( -1.472 0.000 -3.751) 4.029 7.078 ( 1.175 0.000 0.364) 1.230 7.130 ( 2.715 0.000 -5.329) 5.981 7.260 ( -2.686 0.000 -9.069) 9.458 7.473 ( 3.925 0.000 3.741) 5.422 7.579 ( 2.646 0.000 -2.250) 3.474 7.586 ( 2.576 0.000 -1.821) 3.154 7.848 ( 4.955 0.000 -3.591) 6.119 9.458 ( 0.860 0.000 -1.163) 1.447 9.564 ( -5.228 0.000 -0.452) 5.248 9.650 ( 1.027 0.000 4.067) 4.194 9.795 ( -1.263 0.000 2.151) 2.494 10.163 ( -0.266 0.000 -4.756) 4.764 10.201 ( -2.210 0.000 -1.040) 2.442 10.362 ( -4.813 0.000 -8.097) 9.420 10.457 ( -8.563 0.000 -6.101) 10.514 10.800 ( 0.146 0.000 6.848) 6.849 10.934 ( 16.381 0.000 6.801) 17.736 11.407 ( -1.810 0.000 5.241) 5.545 11.690 ( -5.393 0.000 4.314) 6.906 18.002 ( -5.122 0.000 -0.096) 5.123 18.293 ( -5.051 0.000 -6.902) 8.553 18.566 ( -7.331 0.000 -1.048) 7.406 18.640 ( -5.000 0.000 -2.709) 5.687 19.003 ( 0.027 0.000 -1.238) 1.238 19.539 ( -9.646 0.000 -6.434) 11.595 19.694 ( -4.083 0.000 -0.411) 4.104 19.957 ( -2.814 0.000 -13.196) 13.493 20.660 ( -0.174 0.000 2.264) 2.271 20.809 ( -7.240 0.000 0.543) 7.261 21.190 ( 1.625 0.000 1.866) 2.474 21.505 ( 4.441 0.000 -5.442) 7.024 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -3.426 20.270 17.685) 27.117 1.177 ( -2.020 13.675 22.220) 26.169 1.684 ( -6.617 11.707 26.622) 29.825 1.998 ( -3.668 -12.075 10.836) 16.634 2.130 ( -1.160 8.785 -6.667) 11.089 2.177 ( -0.989 -11.748 6.761) 13.591 2.419 ( -0.208 7.464 -0.950) 7.527 2.573 ( -4.304 1.020 -10.566) 11.454 2.777 ( 0.732 -0.098 -1.869) 2.010 2.929 ( 1.485 -7.616 1.367) 7.879 3.082 ( 6.831 -1.356 -7.603) 10.311 3.224 ( 4.403 3.588 -2.909) 6.382 3.545 ( 0.321 -2.568 2.748) 3.775 3.702 ( -0.500 -5.529 2.586) 6.124 3.866 ( 1.318 3.996 -5.796) 7.162 4.190 ( 2.389 -8.873 -9.193) 12.998 4.406 ( -0.874 5.534 1.957) 5.935 4.590 ( 1.133 3.956 -3.784) 5.590 4.739 ( -0.142 2.151 1.688) 2.738 4.861 ( 0.131 5.799 -1.320) 5.949 4.932 ( -3.488 3.730 -0.249) 5.113 5.037 ( 0.972 -2.094 6.564) 6.958 5.170 ( 3.858 -3.743 -2.054) 5.755 5.242 ( 0.534 -2.230 3.688) 4.343 5.378 ( -0.159 -1.887 1.157) 2.219 5.410 ( -8.312 2.792 3.974) 9.627 5.454 ( 0.075 1.027 3.001) 3.173 5.634 ( 1.931 1.592 4.207) 4.895 5.683 ( -4.404 -2.393 2.465) 5.585 5.794 ( 1.422 -1.647 3.731) 4.319 5.832 ( -2.354 0.753 4.094) 4.782 5.962 ( 2.554 5.317 -0.096) 5.899 6.022 ( 1.195 -2.078 6.367) 6.803 6.105 ( -0.702 0.170 2.378) 2.486 6.253 ( 2.713 -0.866 -4.047) 4.948 6.289 ( 3.436 -2.531 2.229) 4.814 6.359 ( -0.120 1.866 3.291) 3.786 6.559 ( 1.560 -3.407 1.137) 3.916 6.618 ( -0.226 -3.836 0.365) 3.860 6.720 ( -6.516 -1.457 2.320) 7.068 7.019 ( 0.586 2.341 -4.803) 5.375 7.075 ( -4.231 2.142 -7.163) 8.591 7.170 ( 1.646 1.678 1.324) 2.698 7.295 ( -4.691 3.898 -4.425) 7.535 7.533 ( 3.201 -0.356 2.951) 4.368 7.612 ( 2.324 -0.505 -2.143) 3.201 7.672 ( 1.909 2.054 -0.713) 2.893 7.852 ( -6.617 1.225 -1.245) 6.844 9.490 ( 3.488 1.575 0.244) 3.835 9.527 ( 0.180 2.693 -3.256) 4.229 9.731 ( 3.884 0.599 1.022) 4.061 9.827 ( 0.967 2.529 5.206) 5.868 10.072 ( -4.500 -6.503 -4.224) 8.965 10.119 ( 0.803 -4.495 -2.675) 5.292 10.286 ( -3.248 1.495 -4.956) 6.111 10.323 ( -4.804 1.790 -6.531) 8.303 10.844 ( 2.142 2.078 6.351) 7.017 11.157 ( 4.226 -3.070 -2.236) 5.682 11.531 ( 12.136 -5.701 3.976) 13.985 11.578 ( 0.141 -2.461 1.783) 3.043 17.950 ( 1.069 -1.044 0.247) 1.514 18.166 ( -3.758 -7.847 -5.070) 10.070 18.420 ( -5.285 -3.803 1.528) 6.688 18.482 ( 0.854 -1.578 -0.016) 1.794 18.948 ( -6.003 2.527 4.027) 7.658 19.220 ( -10.267 3.361 -4.834) 11.836 19.644 ( -5.576 4.651 -3.859) 8.223 19.958 ( 2.327 -3.845 -11.973) 12.788 20.730 ( 0.590 5.267 2.610) 5.908 20.753 ( -4.243 6.509 2.110) 8.051 21.245 ( 0.386 2.551 1.467) 2.968 21.502 ( -1.621 -2.934 -5.250) 6.229 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -2.542 13.098 24.743) 28.111 1.186 ( 7.980 16.498 15.621) 24.081 1.785 ( 12.297 10.212 21.717) 26.965 1.979 ( 1.502 -11.996 10.025) 15.706 2.100 ( -1.818 1.572 -0.873) 2.557 2.200 ( 3.243 -4.822 0.097) 5.812 2.412 ( 0.130 7.991 -0.201) 7.995 2.527 ( 0.320 1.176 -8.070) 8.161 2.800 ( 0.783 -3.670 1.572) 4.068 2.982 ( 4.477 -3.543 -4.495) 7.267 3.176 ( 0.504 4.535 0.270) 4.571 3.299 ( 3.898 -2.606 -5.469) 7.203 3.575 ( 2.483 -3.712 2.460) 5.098 3.639 ( -4.553 -2.166 3.116) 5.927 3.876 ( 1.768 5.361 -5.393) 7.807 4.169 ( -3.404 -6.007 -7.024) 9.849 4.393 ( -1.908 4.001 1.382) 4.644 4.553 ( -2.606 1.840 -5.075) 5.995 4.781 ( 1.232 -2.914 4.442) 5.453 4.841 ( -2.559 1.313 0.894) 3.012 4.979 ( 7.299 6.992 -3.185) 10.598 5.050 ( -0.204 -4.301 0.430) 4.327 5.161 ( -4.870 -1.710 2.844) 5.894 5.216 ( -3.035 4.017 2.843) 5.782 5.315 ( -6.312 0.918 5.440) 8.383 5.316 ( 2.118 -1.364 0.063) 2.520 5.514 ( 3.976 3.191 1.624) 5.351 5.550 ( -4.896 -0.710 3.820) 6.251 5.672 ( -1.609 -1.744 6.094) 6.540 5.758 ( -4.647 4.506 2.594) 6.973 5.869 ( 4.637 -4.538 -0.219) 6.492 6.006 ( -0.322 0.624 4.683) 4.736 6.042 ( -0.093 -3.603 1.971) 4.107 6.101 ( 2.258 -1.465 3.194) 4.177 6.260 ( -1.209 -1.915 -3.128) 3.861 6.291 ( -2.655 -1.844 -0.416) 3.259 6.403 ( 1.353 1.750 -1.263) 2.547 6.521 ( -4.579 -3.344 5.949) 8.218 6.560 ( -4.922 2.113 -0.784) 5.414 6.670 ( 1.947 -0.923 2.727) 3.475 6.920 ( -8.305 2.493 -5.298) 10.162 7.031 ( -0.490 5.067 -6.080) 7.929 7.181 ( -1.832 1.810 0.640) 2.654 7.229 ( 0.481 -0.521 -0.683) 0.984 7.560 ( -2.575 1.908 0.387) 3.228 7.601 ( -4.591 1.951 0.250) 4.995 7.656 ( -3.881 1.347 -0.310) 4.120 7.713 ( -0.622 -1.674 -2.858) 3.370 9.513 ( 0.877 2.608 -2.099) 3.461 9.608 ( 5.863 3.623 0.427) 6.905 9.827 ( 3.204 0.017 4.536) 5.554 9.842 ( -0.479 -0.491 5.619) 5.661 10.023 ( 1.109 -6.458 -6.776) 9.426 10.161 ( 3.307 -4.660 -0.611) 5.747 10.247 ( 0.912 2.886 -4.214) 5.188 10.276 ( -0.031 1.097 -8.161) 8.234 10.884 ( 1.651 3.296 3.923) 5.383 11.162 ( -0.979 -0.646 -2.822) 3.056 11.559 ( 1.643 -1.347 1.095) 2.390 11.796 ( 5.013 -12.713 2.561) 13.904 18.001 ( 2.388 -1.989 2.685) 4.107 18.121 ( 4.711 -1.065 -1.876) 5.182 18.448 ( 7.645 2.242 0.070) 7.967 18.597 ( 9.425 -1.051 0.626) 9.504 18.821 ( -3.567 5.767 3.875) 7.810 19.142 ( 0.271 0.786 1.251) 1.502 19.536 ( -4.399 5.641 -3.373) 7.909 19.994 ( 1.693 -6.463 -11.550) 13.343 20.694 ( -1.549 5.746 2.336) 6.393 20.744 ( 0.394 4.653 2.841) 5.466 21.247 ( -0.244 1.227 1.570) 2.008 21.431 ( -4.285 -2.500 -2.826) 5.710 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 11.606 6.630 16.016) 20.860 1.458 ( 16.056 12.660 11.647) 23.532 2.011 ( 6.439 -4.651 7.648) 11.027 2.047 ( 0.291 -8.154 4.638) 9.385 2.167 ( 12.922 2.552 12.234) 17.977 2.290 ( 4.954 5.384 -1.130) 7.403 2.459 ( 5.210 5.556 1.006) 7.682 2.557 ( 2.705 1.130 -4.465) 5.341 2.811 ( -0.052 -1.548 2.405) 2.861 3.050 ( -1.251 -2.411 -3.842) 4.705 3.142 ( 1.572 6.581 1.486) 6.928 3.389 ( 4.581 -3.230 -3.020) 6.367 3.596 ( 0.635 -0.984 0.477) 1.265 3.646 ( 3.987 -5.389 3.444) 7.537 3.930 ( 2.702 3.510 -3.282) 5.513 4.083 ( -4.036 -1.936 -3.935) 5.960 4.334 ( -2.690 4.142 1.667) 5.212 4.482 ( -4.214 -1.553 -5.672) 7.234 4.709 ( -5.748 -0.182 6.393) 8.599 4.885 ( 3.397 -7.514 0.652) 8.272 4.941 ( -8.475 -1.396 1.235) 8.677 4.998 ( -6.848 0.724 -2.855) 7.454 5.098 ( -2.455 1.752 1.201) 3.246 5.185 ( -4.310 3.578 7.717) 9.535 5.260 ( 5.240 8.985 -2.006) 10.594 5.370 ( 1.374 -2.238 0.825) 2.753 5.497 ( 0.097 -0.616 -1.605) 1.722 5.550 ( -4.229 -0.585 5.957) 7.328 5.609 ( 0.278 -1.310 1.827) 2.265 5.694 ( -1.238 4.605 2.559) 5.412 5.914 ( -1.423 -2.898 2.721) 4.222 5.990 ( -2.974 0.103 0.632) 3.042 6.036 ( 1.146 -3.821 2.463) 4.688 6.145 ( -0.991 -3.923 -2.155) 4.584 6.181 ( -5.177 -2.894 0.989) 6.013 6.245 ( -0.726 -2.821 -1.003) 3.080 6.316 ( -5.947 1.935 0.093) 6.255 6.432 ( -3.067 0.804 5.200) 6.091 6.578 ( 1.630 3.427 -3.379) 5.081 6.627 ( -5.987 2.969 0.979) 6.754 6.818 ( 0.475 -0.762 -1.174) 1.478 7.020 ( 0.010 2.949 -4.384) 5.283 7.153 ( -0.418 -0.249 -1.312) 1.400 7.255 ( 0.848 -1.489 -1.345) 2.178 7.422 ( -5.410 3.739 0.071) 6.577 7.567 ( -1.271 1.007 -2.526) 3.002 7.587 ( -2.812 0.112 0.931) 2.964 7.721 ( 0.398 -1.288 -3.597) 3.841 9.542 ( 1.663 0.414 0.024) 1.713 9.708 ( 2.064 2.361 3.075) 4.391 9.793 ( -0.705 -0.178 4.102) 4.166 9.909 ( 3.398 -0.452 3.758) 5.087 10.077 ( 3.508 -3.886 -6.484) 8.334 10.200 ( -0.020 -2.384 1.297) 2.714 10.314 ( 4.466 0.852 -8.686) 9.804 10.342 ( 7.487 0.848 -6.056) 9.667 10.927 ( 2.587 3.341 1.823) 4.602 11.141 ( -1.015 -0.306 -1.358) 1.723 11.615 ( 3.162 -0.984 1.319) 3.565 11.776 ( -4.491 -7.277 8.863) 12.316 18.136 ( 10.216 2.233 -0.295) 10.461 18.286 ( 8.685 2.360 -1.848) 9.188 18.631 ( 7.879 0.932 -1.560) 8.086 18.829 ( 10.880 -0.699 0.958) 10.945 18.873 ( 10.764 2.783 3.751) 11.734 19.156 ( 0.264 -3.504 5.082) 6.179 19.492 ( 1.008 6.618 -3.403) 7.510 20.013 ( 0.950 -7.088 -10.778) 12.935 20.679 ( -0.448 3.572 0.727) 3.673 20.751 ( 0.162 2.824 3.030) 4.145 21.244 ( 0.069 0.684 1.426) 1.583 21.352 ( -2.928 -1.557 -0.947) 3.448 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 18.381 0.462 6.786) 19.599 1.805 ( 16.487 9.714 8.287) 20.853 2.072 ( 3.143 -7.204 2.169) 8.153 2.148 ( 6.282 -6.779 5.233) 10.621 2.331 ( 2.612 4.935 1.632) 5.818 2.444 ( 8.399 3.796 1.397) 9.322 2.618 ( 5.903 3.749 5.073) 8.639 2.635 ( 7.792 2.034 1.392) 8.172 2.786 ( -2.231 1.988 2.403) 3.835 2.991 ( -2.253 -3.304 -1.091) 4.145 3.226 ( 4.528 6.127 0.090) 7.619 3.464 ( 2.777 -1.105 0.424) 3.019 3.650 ( 3.809 -2.715 -0.714) 4.732 3.724 ( 2.857 -4.756 4.895) 7.399 3.931 ( -2.609 1.120 -1.453) 3.189 4.027 ( -1.487 0.332 -1.139) 1.902 4.311 ( 0.304 2.523 1.421) 2.911 4.399 ( -2.866 -2.249 -3.796) 5.261 4.613 ( -3.347 1.298 5.011) 6.164 4.743 ( -9.489 -0.439 2.535) 9.831 4.807 ( -9.869 0.414 -1.498) 9.990 4.934 ( 0.239 -6.915 0.933) 6.982 5.044 ( -1.025 0.923 -1.229) 1.848 5.130 ( -4.240 1.625 4.008) 6.057 5.267 ( -4.194 3.685 -0.753) 5.633 5.358 ( -2.464 -0.540 1.155) 2.774 5.507 ( 3.669 0.220 1.007) 3.811 5.548 ( 2.838 0.162 -1.896) 3.417 5.634 ( -0.658 -1.747 0.292) 1.889 5.693 ( 0.275 1.927 1.476) 2.443 5.836 ( -5.966 0.167 0.172) 5.971 5.887 ( -4.318 -0.497 -0.118) 4.348 6.015 ( -4.430 -1.254 3.375) 5.709 6.076 ( -0.101 2.525 0.363) 2.553 6.156 ( -0.608 -1.232 1.913) 2.355 6.192 ( -2.853 3.084 3.112) 5.229 6.302 ( 2.370 -4.555 -3.240) 6.071 6.382 ( -3.796 -1.294 5.706) 6.974 6.439 ( -6.199 4.353 -2.495) 7.976 6.644 ( 1.191 0.661 -3.623) 3.871 6.866 ( 3.280 -1.164 0.703) 3.551 7.028 ( 0.728 -1.799 -2.610) 3.252 7.151 ( 0.177 -0.045 -3.444) 3.448 7.241 ( -2.114 -2.434 -2.315) 3.969 7.377 ( 0.211 2.365 0.584) 2.445 7.517 ( -2.325 -1.810 -3.593) 4.647 7.577 ( 0.855 3.600 1.894) 4.157 7.726 ( 0.607 -0.273 -5.250) 5.292 9.572 ( 1.111 -1.604 2.256) 2.983 9.678 ( -2.874 -0.932 5.007) 5.848 9.844 ( 3.106 2.042 2.445) 4.449 9.973 ( 2.705 -1.772 1.345) 3.502 10.147 ( 3.365 -0.582 -6.245) 7.118 10.184 ( -0.882 -0.470 0.012) 0.999 10.422 ( 5.966 -0.018 -7.731) 9.765 10.495 ( 7.330 0.852 -6.316) 9.713 10.986 ( 2.761 2.305 1.506) 3.900 11.115 ( -1.520 0.323 2.108) 2.619 11.674 ( 2.306 -1.327 1.873) 3.254 11.698 ( -2.974 -2.419 8.457) 9.286 18.335 ( 7.674 2.453 -0.066) 8.057 18.428 ( 5.653 4.901 -2.839) 8.002 18.757 ( 5.694 -1.603 -1.891) 6.210 18.992 ( 1.228 -4.183 2.686) 5.120 19.125 ( 11.562 2.046 4.896) 12.722 19.254 ( 12.009 -0.533 2.006) 12.187 19.563 ( 5.166 4.351 -1.853) 7.003 20.028 ( 1.331 -6.571 -9.574) 11.688 20.669 ( -0.517 2.000 0.041) 2.066 20.755 ( 0.036 1.021 2.695) 2.882 21.256 ( 1.034 0.734 1.134) 1.701 21.320 ( -0.274 -0.458 -0.172) 0.561 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 13.647 -2.100 3.194) 14.172 2.100 ( 11.167 4.361 4.131) 12.680 2.170 ( 5.994 -0.555 0.650) 6.054 2.256 ( 3.520 -5.877 3.219) 7.569 2.360 ( 0.389 -0.708 1.390) 1.608 2.557 ( 2.424 6.821 0.076) 7.239 2.703 ( 2.197 -0.532 2.345) 3.257 2.730 ( 0.630 2.638 4.106) 4.921 2.812 ( 4.831 2.801 4.021) 6.882 2.944 ( -2.643 -2.382 -0.748) 3.635 3.317 ( 4.288 5.294 3.325) 7.581 3.506 ( 1.182 -0.326 1.430) 1.883 3.702 ( 0.405 -0.874 2.776) 2.938 3.755 ( 0.182 -3.398 4.795) 5.880 3.877 ( -1.621 0.866 0.035) 1.838 3.985 ( -2.613 -0.170 -0.948) 2.785 4.338 ( 1.769 1.359 1.424) 2.646 4.379 ( 0.645 -2.704 -0.845) 2.906 4.532 ( -5.252 -1.462 1.668) 5.701 4.594 ( -5.754 -0.140 2.574) 6.305 4.698 ( 1.433 1.117 0.192) 1.827 4.912 ( -1.870 -4.132 1.829) 4.890 5.004 ( -5.437 -0.533 2.523) 6.017 5.068 ( 2.033 -0.348 -4.740) 5.169 5.192 ( -2.298 1.946 -1.216) 3.247 5.290 ( -4.093 -0.264 -2.604) 4.858 5.539 ( -4.266 0.568 1.831) 4.677 5.567 ( -3.361 -0.831 0.076) 3.463 5.629 ( 1.132 -1.741 -0.889) 2.259 5.689 ( 4.661 1.615 -0.722) 4.986 5.717 ( -3.994 -0.487 -1.792) 4.405 5.859 ( -0.476 2.674 6.672) 7.204 6.001 ( 2.272 4.809 -1.636) 5.565 6.065 ( -0.802 0.923 1.667) 2.068 6.107 ( -2.986 1.464 4.267) 5.409 6.200 ( 1.427 3.104 0.533) 3.457 6.263 ( -4.353 5.793 1.926) 7.498 6.332 ( -1.230 1.044 -3.720) 4.055 6.399 ( 0.782 -8.332 1.898) 8.581 6.650 ( 0.010 -1.823 -3.393) 3.851 6.937 ( 3.459 0.115 -0.296) 3.473 7.036 ( -0.031 -6.267 -2.032) 6.588 7.161 ( 1.023 -0.449 -1.307) 1.719 7.175 ( -3.887 -2.873 -1.531) 5.070 7.393 ( 0.721 0.979 -0.688) 1.397 7.478 ( -1.375 -0.164 -3.484) 3.749 7.602 ( 1.127 3.911 1.684) 4.405 7.746 ( 1.785 -0.034 -6.753) 6.985 9.585 ( -0.101 -2.947 3.879) 4.873 9.629 ( -2.076 -1.909 4.358) 5.191 9.891 ( 1.301 1.482 2.289) 3.021 10.020 ( 1.813 -2.557 -0.920) 3.267 10.145 ( -1.531 1.324 -0.351) 2.054 10.227 ( 3.407 1.999 -6.204) 7.354 10.527 ( 4.507 -0.630 -7.088) 8.423 10.621 ( 5.260 1.361 -6.650) 8.587 11.027 ( 0.692 0.769 3.032) 3.204 11.084 ( -1.575 1.326 4.265) 4.736 11.656 ( -1.481 -0.520 6.046) 6.247 11.718 ( 1.603 -1.571 1.730) 2.834 18.419 ( 1.246 1.367 1.654) 2.482 18.531 ( 4.159 4.733 -3.250) 7.090 18.862 ( 3.656 -3.341 0.099) 4.953 18.977 ( 0.702 -1.307 -0.900) 1.735 19.327 ( 6.541 1.644 5.425) 8.656 19.495 ( 8.922 -1.105 3.377) 9.604 19.667 ( 4.813 2.884 -2.667) 6.212 20.059 ( 2.259 -5.818 -8.309) 10.392 20.668 ( 0.722 1.227 0.290) 1.453 20.756 ( -0.080 0.152 2.035) 2.042 21.280 ( 1.008 0.956 0.777) 1.592 21.329 ( 0.794 0.216 0.201) 0.847 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -1.380 -0.986 3.804) 4.165 2.247 ( -0.438 2.420 0.154) 2.464 2.275 ( 5.151 2.247 1.736) 5.881 2.290 ( 1.538 -3.393 -0.661) 3.783 2.358 ( -0.402 -7.211 2.366) 7.600 2.540 ( -3.467 6.582 -0.264) 7.444 2.694 ( -1.665 1.590 3.758) 4.407 2.780 ( 1.571 3.147 2.348) 4.229 2.856 ( -0.703 2.841 0.853) 3.048 2.944 ( 3.809 -1.898 4.133) 5.932 3.380 ( 0.753 -0.351 4.931) 5.000 3.509 ( -0.885 -0.854 1.694) 2.094 3.691 ( -0.910 0.651 5.486) 5.599 3.738 ( -2.447 -0.791 4.758) 5.409 3.883 ( 2.364 0.225 0.069) 2.376 3.928 ( -2.546 0.698 -1.618) 3.096 4.321 ( -4.219 2.370 0.952) 4.932 4.404 ( 3.230 -1.747 0.333) 3.687 4.516 ( -1.791 -0.524 1.783) 2.581 4.526 ( 4.214 -3.360 1.609) 5.625 4.775 ( 3.114 -1.537 2.860) 4.499 4.884 ( 0.084 -6.281 -0.222) 6.285 4.965 ( 2.997 0.904 -0.340) 3.149 5.116 ( 1.412 -0.773 -4.435) 4.718 5.170 ( -0.899 0.480 -2.667) 2.855 5.193 ( -3.562 -0.249 -3.703) 5.144 5.428 ( -4.730 7.677 2.624) 9.391 5.494 ( -1.058 -2.141 -0.842) 2.533 5.643 ( -0.254 -0.930 0.913) 1.328 5.684 ( 0.014 -0.295 -0.039) 0.298 5.816 ( 5.387 1.226 -0.723) 5.572 5.866 ( 0.794 3.089 5.597) 6.442 6.007 ( -1.850 -0.755 2.259) 3.016 6.028 ( -0.529 5.574 0.992) 5.686 6.134 ( 3.733 3.573 -0.281) 5.174 6.167 ( -3.437 4.048 2.492) 5.867 6.251 ( 0.242 0.888 -2.932) 3.073 6.289 ( -1.233 3.089 0.288) 3.339 6.429 ( 1.549 -6.154 0.922) 6.412 6.651 ( 0.432 -2.750 -2.901) 4.020 7.001 ( 2.113 -2.847 0.126) 3.547 7.025 ( -0.067 -2.738 -3.768) 4.658 7.092 ( -3.764 -3.072 -0.894) 4.940 7.192 ( 1.786 -4.615 2.187) 5.411 7.400 ( 0.239 1.681 -2.957) 3.410 7.448 ( -1.584 1.332 -2.616) 3.336 7.612 ( -0.426 4.095 0.864) 4.207 7.781 ( 1.617 -0.759 -6.814) 7.044 9.565 ( -1.918 -1.815 3.710) 4.553 9.603 ( -0.971 -5.177 4.690) 7.052 9.903 ( -0.039 1.489 1.560) 2.157 10.039 ( -0.076 -0.199 -1.114) 1.134 10.117 ( -0.885 0.838 -1.230) 1.732 10.280 ( 2.008 3.197 -6.585) 7.590 10.591 ( 2.117 -1.011 -6.564) 6.971 10.696 ( 2.473 1.676 -6.537) 7.187 11.001 ( -3.243 0.857 6.990) 7.754 11.062 ( -1.198 0.663 2.494) 2.845 11.634 ( -1.150 0.371 4.080) 4.255 11.747 ( 1.193 -2.033 2.411) 3.371 18.415 ( -1.444 -0.183 1.418) 2.032 18.572 ( -0.069 1.855 -1.443) 2.351 18.892 ( 0.913 -1.054 -1.720) 2.215 19.064 ( 6.433 0.439 -1.910) 6.725 19.375 ( -2.033 2.028 5.298) 6.026 19.578 ( -1.130 -2.304 5.033) 5.649 19.755 ( 3.798 2.490 -4.232) 6.207 20.104 ( 2.230 -5.336 -7.131) 9.181 20.701 ( 2.240 0.324 0.539) 2.327 20.755 ( -0.018 0.358 1.250) 1.301 21.286 ( -0.715 1.324 0.531) 1.596 21.341 ( 0.245 0.516 0.520) 0.773 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -12.401 -0.284 6.216) 13.875 2.127 ( -10.280 11.505 5.377) 16.339 2.271 ( -3.300 -3.681 0.315) 4.954 2.347 ( 0.861 -6.567 -3.716) 7.594 2.355 ( -0.517 -4.040 1.172) 4.239 2.458 ( -3.575 5.415 -2.465) 6.941 2.652 ( -2.218 1.685 3.515) 4.485 2.759 ( -3.367 1.855 1.476) 4.118 2.869 ( 1.342 4.258 3.127) 5.450 3.013 ( 1.573 -0.040 4.674) 4.932 3.356 ( -2.849 -5.143 2.015) 6.215 3.446 ( -6.405 -2.278 6.468) 9.383 3.657 ( -3.710 1.712 5.099) 6.535 3.691 ( -1.116 -1.400 4.835) 5.155 3.894 ( -0.585 1.369 -4.035) 4.301 3.953 ( 3.781 -0.157 -1.077) 3.935 4.247 ( -2.364 2.857 -0.291) 3.720 4.498 ( 0.235 -0.347 -0.303) 0.517 4.517 ( 7.559 -0.213 1.293) 7.671 4.637 ( 4.854 -3.477 3.257) 6.802 4.807 ( 2.116 -1.939 3.744) 4.717 4.929 ( 3.116 -5.652 -3.650) 7.414 5.062 ( -2.445 1.199 -3.165) 4.175 5.078 ( 2.519 -1.734 2.429) 3.905 5.148 ( 4.405 1.674 -3.578) 5.917 5.238 ( 4.725 -3.440 -0.933) 5.919 5.418 ( 1.504 5.798 -0.390) 6.002 5.483 ( -0.326 -1.650 0.012) 1.682 5.659 ( 2.609 1.224 -0.233) 2.891 5.690 ( 0.611 3.472 2.281) 4.199 5.845 ( -1.081 -1.005 6.235) 6.407 5.908 ( 2.315 9.725 -2.642) 10.339 5.980 ( -0.354 -2.103 1.516) 2.616 6.078 ( 0.515 0.031 -2.836) 2.883 6.109 ( 2.274 2.160 3.646) 4.809 6.184 ( -4.511 1.021 2.402) 5.212 6.210 ( 2.573 4.130 0.966) 4.961 6.318 ( 2.075 1.071 -3.190) 3.953 6.460 ( 1.591 -3.189 1.893) 4.036 6.665 ( 1.064 -2.265 -2.488) 3.529 6.987 ( -1.351 -3.670 -1.111) 4.065 7.029 ( -1.524 -2.117 -1.216) 2.878 7.070 ( 1.907 -2.732 -2.088) 3.932 7.241 ( 3.376 -4.716 1.837) 6.084 7.395 ( -1.352 2.404 -3.416) 4.390 7.422 ( 0.248 1.227 -0.979) 1.589 7.585 ( -2.172 4.409 -0.744) 4.971 7.793 ( -0.182 -1.491 -6.091) 6.273 9.523 ( -2.347 -1.532 2.665) 3.867 9.581 ( -1.572 -6.958 5.360) 8.923 9.894 ( -0.914 2.055 1.141) 2.522 10.012 ( -2.381 4.351 -0.428) 4.978 10.111 ( 0.186 -2.036 -2.948) 3.587 10.299 ( 0.336 3.497 -6.649) 7.520 10.605 ( -0.314 -1.319 -6.215) 6.362 10.713 ( -0.388 1.731 -5.932) 6.191 10.918 ( -5.202 1.667 8.323) 9.955 11.019 ( -3.374 -0.640 2.355) 4.164 11.610 ( -1.595 1.037 3.418) 3.911 11.770 ( 0.831 -2.628 3.454) 4.419 18.366 ( -3.457 -1.220 1.080) 3.822 18.538 ( -2.809 -1.754 -1.693) 3.719 18.915 ( 1.120 3.017 -4.127) 5.234 19.194 ( 4.564 0.038 -0.403) 4.582 19.272 ( -6.678 2.051 3.781) 7.943 19.470 ( -9.073 -1.938 4.293) 10.223 19.808 ( 1.597 1.870 -3.611) 4.369 20.127 ( 0.210 -5.036 -7.200) 8.788 20.729 ( -0.199 0.355 0.777) 0.877 20.784 ( 3.472 -0.271 -0.036) 3.482 21.253 ( -2.210 2.056 0.577) 3.073 21.339 ( -0.293 0.603 0.699) 0.969 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -13.625 2.628 10.525) 17.416 1.862 ( -15.347 15.155 7.317) 22.776 2.193 ( -3.721 -9.247 4.325) 10.865 2.266 ( -6.915 1.175 4.379) 8.269 2.370 ( -2.984 1.537 -6.552) 7.362 2.393 ( 1.224 -2.557 -8.254) 8.727 2.608 ( -3.039 -1.071 4.181) 5.278 2.673 ( -4.380 1.939 2.706) 5.502 2.886 ( -0.094 6.509 4.750) 8.058 3.002 ( -2.816 -0.143 2.903) 4.047 3.241 ( -10.381 -1.029 5.301) 11.702 3.294 ( -5.947 -4.338 1.972) 7.620 3.585 ( -2.914 -0.269 3.197) 4.334 3.667 ( -1.936 -3.428 5.434) 6.711 3.882 ( -0.776 1.846 -6.318) 6.628 4.016 ( 2.343 -0.627 -3.206) 4.020 4.232 ( 0.972 3.393 -0.265) 3.539 4.524 ( 2.496 -1.450 -3.045) 4.196 4.666 ( 5.178 -1.552 2.171) 5.825 4.741 ( 7.241 0.181 3.927) 8.240 4.869 ( 1.792 -4.667 3.303) 5.992 4.962 ( 2.102 -2.070 -5.989) 6.676 5.088 ( 4.239 -2.359 3.531) 5.999 5.161 ( 6.233 -0.324 -0.296) 6.248 5.235 ( 1.255 4.546 2.387) 5.286 5.345 ( 3.275 -2.271 -0.704) 4.047 5.366 ( -1.978 -2.232 0.993) 3.143 5.560 ( 5.407 3.792 -1.453) 6.762 5.718 ( 2.002 2.975 -0.929) 3.704 5.725 ( 2.974 5.317 1.041) 6.181 5.835 ( 0.739 -1.885 2.816) 3.468 5.944 ( -1.124 2.593 1.665) 3.280 5.989 ( 2.397 1.918 -2.299) 3.835 6.058 ( -0.332 -1.005 0.579) 1.207 6.097 ( -1.788 0.593 4.306) 4.700 6.212 ( 3.696 1.212 2.243) 4.490 6.251 ( 0.901 3.214 3.006) 4.492 6.360 ( 3.205 -1.611 -4.383) 5.664 6.498 ( 1.836 -2.278 1.394) 3.241 6.695 ( 2.356 -1.373 -0.749) 2.828 6.979 ( 0.820 -2.281 -2.132) 3.228 7.019 ( 0.743 0.530 -0.574) 1.078 7.091 ( 0.542 -5.173 -2.652) 5.838 7.344 ( 4.148 2.925 -5.421) 7.426 7.364 ( 1.634 -1.001 2.919) 3.492 7.445 ( 1.397 -0.778 0.786) 1.782 7.533 ( -2.423 4.551 -2.806) 5.870 7.768 ( -1.677 -1.668 -5.221) 5.732 9.477 ( -2.146 -1.422 1.536) 2.998 9.546 ( -2.169 -7.388 5.488) 9.455 9.869 ( -1.615 3.172 1.513) 3.868 9.949 ( -3.572 5.798 -1.542) 6.982 10.116 ( 0.389 -2.928 -3.363) 4.476 10.288 ( -0.966 2.777 -6.130) 6.799 10.570 ( -2.897 -1.222 -6.427) 7.155 10.678 ( -2.577 1.360 -5.058) 5.837 10.813 ( -4.975 2.077 8.876) 10.385 10.929 ( -5.366 -1.340 3.294) 6.437 11.569 ( -2.688 1.731 3.562) 4.786 11.778 ( -0.556 -3.194 4.541) 5.580 18.272 ( -5.888 -1.218 0.586) 6.041 18.465 ( -4.155 -4.238 -3.605) 6.944 18.899 ( -4.200 3.019 -3.317) 6.145 19.056 ( -10.000 4.064 1.242) 10.866 19.198 ( -10.912 -3.330 1.998) 11.583 19.378 ( 4.687 -0.306 1.436) 4.912 19.816 ( -0.528 1.878 -3.255) 3.795 20.102 ( -2.093 -4.575 -9.210) 10.495 20.717 ( -0.689 1.803 0.702) 2.054 20.863 ( 3.551 -1.832 -1.285) 4.197 21.214 ( -1.286 3.079 0.822) 3.436 21.342 ( 0.902 0.421 0.575) 1.149 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -9.768 7.642 16.239) 20.434 1.540 ( -16.215 17.177 10.452) 25.831 2.108 ( -8.571 3.949 5.600) 10.973 2.142 ( -1.526 -11.485 6.499) 13.284 2.250 ( -6.520 -0.336 -3.143) 7.245 2.437 ( -0.867 1.667 -3.661) 4.115 2.525 ( -9.301 1.896 11.469) 14.888 2.596 ( 2.550 -2.231 -7.544) 8.270 2.887 ( -1.234 4.978 3.240) 6.066 2.902 ( -5.632 1.205 2.184) 6.160 3.042 ( -6.734 1.198 0.276) 6.845 3.189 ( -4.272 -3.784 -1.352) 5.865 3.562 ( 0.464 -2.812 2.421) 3.739 3.626 ( -1.761 -4.292 6.114) 7.674 3.852 ( -1.507 2.973 -6.438) 7.249 4.056 ( 2.430 -2.407 -6.523) 7.365 4.282 ( 3.824 4.822 0.277) 6.161 4.584 ( 2.588 -3.106 -5.598) 6.905 4.755 ( 3.813 -2.237 3.513) 5.647 4.864 ( -1.029 -4.506 3.127) 5.580 4.912 ( 7.745 1.359 3.156) 8.473 5.027 ( 2.095 -4.803 -1.688) 5.505 5.112 ( -0.211 3.520 0.491) 3.561 5.208 ( -4.631 7.402 0.293) 8.736 5.286 ( 1.854 -0.003 1.269) 2.247 5.361 ( 8.230 -1.172 5.266) 9.840 5.449 ( 4.069 -1.329 1.178) 4.440 5.635 ( 1.816 3.945 -0.016) 4.343 5.687 ( -3.508 3.433 0.965) 5.002 5.844 ( 2.691 -2.817 -0.701) 3.958 5.868 ( 3.603 -3.065 0.242) 4.736 5.914 ( 1.078 1.918 6.970) 7.309 6.013 ( -1.536 2.393 1.864) 3.400 6.034 ( 1.202 -2.379 -0.175) 2.671 6.152 ( 1.480 -0.701 -2.347) 2.862 6.242 ( 1.572 4.750 2.898) 5.782 6.248 ( -0.577 1.854 2.698) 3.324 6.460 ( 5.313 -3.063 -0.297) 6.140 6.538 ( 2.418 -3.383 -0.821) 4.239 6.767 ( 4.066 -2.417 2.706) 5.449 6.989 ( -0.004 -2.541 -2.919) 3.870 7.072 ( 3.908 2.918 0.154) 4.879 7.104 ( 1.189 -0.994 -6.035) 6.231 7.342 ( 0.628 4.083 -3.201) 5.226 7.464 ( 0.383 -0.718 3.833) 3.919 7.502 ( 2.509 2.115 -3.857) 5.064 7.524 ( 5.292 0.308 -2.601) 5.905 7.750 ( 1.867 -1.189 -3.383) 4.043 9.444 ( -0.932 -1.359 0.267) 1.669 9.508 ( -1.545 -6.284 4.810) 8.063 9.827 ( -2.925 5.979 1.097) 6.746 9.872 ( -3.518 4.223 -1.839) 5.796 10.118 ( -0.060 -3.628 -3.390) 4.965 10.253 ( -2.279 0.251 -5.086) 5.579 10.478 ( -5.362 0.359 -6.959) 8.792 10.603 ( -4.792 0.394 -5.229) 7.103 10.762 ( 0.437 1.189 9.257) 9.344 10.830 ( -3.415 -0.745 5.904) 6.861 11.503 ( -3.924 2.337 3.883) 5.995 11.744 ( -3.200 -3.439 4.997) 6.858 18.132 ( -7.493 -0.593 0.031) 7.516 18.363 ( -5.506 -5.534 -5.455) 9.524 18.716 ( -11.106 -0.800 -0.026) 11.134 18.832 ( -12.510 0.921 -0.674) 12.562 19.050 ( -2.893 2.674 -0.095) 3.941 19.476 ( 3.296 -4.682 0.355) 5.737 19.789 ( -1.572 2.822 -3.597) 4.834 20.033 ( -3.931 -3.667 -12.865) 13.943 20.709 ( -0.075 3.434 1.150) 3.622 20.899 ( -0.295 -1.191 -1.868) 2.235 21.209 ( 0.613 3.948 0.986) 4.115 21.392 ( 4.144 -0.658 -1.062) 4.328 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -3.122 13.550 20.207) 24.529 1.245 ( -12.548 18.147 15.005) 26.682 1.911 ( -12.157 8.240 13.979) 20.275 2.103 ( -6.162 -9.135 9.382) 14.472 2.146 ( -0.608 -8.280 1.814) 8.498 2.269 ( -9.848 5.350 9.333) 14.585 2.425 ( -0.840 5.063 -2.125) 5.554 2.668 ( -1.590 -0.801 -12.121) 12.251 2.819 ( -4.848 3.749 0.463) 6.146 2.841 ( 4.735 -4.650 -4.810) 8.196 3.010 ( 0.986 -0.242 -1.152) 1.535 3.150 ( 1.453 0.461 -1.200) 1.940 3.556 ( -1.297 -2.226 2.589) 3.652 3.657 ( 3.843 -6.847 5.093) 9.359 3.832 ( 0.554 3.995 -5.926) 7.168 4.119 ( 4.032 -5.929 -8.535) 11.147 4.380 ( 4.834 6.897 0.412) 8.433 4.575 ( -2.267 -2.434 -2.673) 4.267 4.783 ( -1.055 1.625 0.476) 1.995 4.898 ( 1.491 -0.522 1.895) 2.467 4.967 ( -2.492 2.381 -0.948) 3.574 5.057 ( -5.127 2.844 4.341) 7.295 5.069 ( 5.294 1.100 0.555) 5.435 5.191 ( 3.833 -2.157 0.643) 4.445 5.350 ( 3.224 0.612 1.374) 3.558 5.469 ( -0.772 -0.185 4.873) 4.937 5.509 ( 0.399 -2.023 3.532) 4.090 5.627 ( -1.045 1.497 2.297) 2.934 5.660 ( 2.343 2.778 0.710) 3.703 5.819 ( -1.792 -2.937 3.389) 4.830 5.900 ( -3.811 -1.235 2.719) 4.842 5.957 ( -0.120 0.307 3.931) 3.945 5.986 ( 0.642 1.824 3.002) 3.571 6.093 ( 2.994 -1.152 -3.698) 4.895 6.155 ( 3.238 0.771 0.175) 3.333 6.246 ( 0.948 0.334 4.283) 4.399 6.326 ( 3.864 3.746 2.525) 5.945 6.523 ( 1.439 -3.241 0.531) 3.586 6.598 ( 2.619 -4.849 -1.471) 5.704 6.810 ( -1.418 -4.318 3.979) 6.041 6.994 ( 1.225 0.236 -3.666) 3.873 7.123 ( 0.290 1.232 -7.876) 7.977 7.134 ( 1.828 2.757 0.849) 3.415 7.358 ( -0.232 5.673 -6.026) 8.279 7.474 ( 1.211 -1.697 3.824) 4.355 7.559 ( 3.168 0.886 -3.046) 4.483 7.602 ( 3.674 1.167 -1.246) 4.051 7.857 ( 5.567 -0.025 -2.189) 5.982 9.442 ( 0.820 -1.255 0.426) 1.558 9.508 ( 1.470 -2.737 1.070) 3.286 9.743 ( -4.233 6.529 -2.274) 8.107 9.826 ( -1.129 2.861 2.974) 4.278 10.111 ( -0.221 -4.208 -2.130) 4.721 10.179 ( -4.648 -3.585 -4.785) 7.573 10.368 ( -4.614 1.468 -7.793) 9.174 10.466 ( -7.750 0.400 -5.250) 9.370 10.799 ( 1.296 0.251 7.639) 7.752 10.917 ( 12.907 -1.691 6.633) 14.609 11.431 ( -2.396 2.357 4.437) 5.566 11.658 ( -5.031 -3.100 3.925) 7.094 17.995 ( -5.170 -0.314 -0.092) 5.180 18.247 ( -4.914 -5.466 -6.058) 9.525 18.523 ( -6.919 -2.978 -0.288) 7.538 18.605 ( -9.394 -2.890 -0.268) 9.832 19.011 ( -1.726 3.001 0.440) 3.490 19.452 ( -7.112 -7.089 -2.909) 10.455 19.746 ( -3.269 3.690 -4.480) 6.661 19.950 ( -1.950 -1.635 -14.383) 14.606 20.716 ( 0.583 4.906 1.844) 5.274 20.849 ( -4.270 2.700 -0.352) 5.065 21.229 ( 1.030 3.829 1.243) 4.156 21.482 ( 3.697 -2.294 -4.528) 6.280 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -2.407 15.404 17.983) 23.801 1.508 ( -5.383 15.850 16.632) 23.597 1.719 ( -1.240 -12.098 14.618) 19.015 1.865 ( -1.923 -17.145 11.437) 20.699 2.065 ( -6.762 21.533 16.714) 28.085 2.325 ( -3.080 2.776 -1.508) 4.412 2.534 ( 2.228 3.562 -3.739) 5.624 2.578 ( -0.726 -1.989 -3.452) 4.050 2.702 ( -4.468 -3.434 -0.030) 5.635 2.786 ( 2.334 -6.045 -10.013) 11.927 3.075 ( 6.341 2.068 -5.886) 8.895 3.184 ( 3.138 -7.312 -1.278) 8.058 3.534 ( 1.062 2.451 3.359) 4.291 3.604 ( 1.539 -4.152 1.799) 4.779 3.952 ( 2.479 4.402 -8.249) 9.673 4.044 ( 2.496 -5.652 -8.543) 10.543 4.531 ( -1.563 6.317 2.760) 7.069 4.630 ( 0.521 -2.841 2.774) 4.005 4.801 ( -1.086 8.426 -3.002) 9.011 4.969 ( 1.845 -2.134 -3.050) 4.155 4.992 ( -1.743 2.078 0.735) 2.810 5.007 ( -3.885 -1.900 3.563) 5.603 5.092 ( 4.119 1.280 -1.168) 4.468 5.177 ( 1.768 -4.314 0.386) 4.678 5.374 ( -0.120 2.747 0.949) 2.908 5.444 ( -2.424 -2.149 -0.843) 3.347 5.485 ( -3.429 3.703 7.852) 9.334 5.569 ( -1.665 -4.610 5.513) 7.377 5.703 ( -1.092 1.564 6.483) 6.757 5.746 ( -0.809 -2.798 5.233) 5.989 5.875 ( 0.961 3.540 2.954) 4.710 5.958 ( 0.300 -4.125 2.986) 5.101 6.058 ( 1.308 3.364 0.441) 3.636 6.101 ( -1.456 -0.969 2.425) 2.990 6.214 ( 1.888 -1.119 -0.375) 2.226 6.236 ( 0.211 -2.268 -0.150) 2.283 6.419 ( 0.804 3.765 -1.445) 4.112 6.493 ( 1.284 -3.566 -2.834) 4.733 6.603 ( 0.671 2.181 3.584) 4.249 6.668 ( -2.308 -3.610 5.074) 6.641 7.087 ( 0.477 3.913 -5.050) 6.407 7.128 ( -1.344 1.089 -6.357) 6.588 7.204 ( -0.373 2.675 -0.208) 2.709 7.281 ( -4.841 -3.854 -2.920) 6.842 7.550 ( 3.669 1.880 1.791) 4.494 7.591 ( 2.486 -1.929 0.629) 3.209 7.750 ( -0.850 5.368 0.677) 5.477 7.839 ( -4.167 -2.918 0.947) 5.175 9.536 ( 6.455 2.585 -1.707) 7.160 9.564 ( 4.830 0.288 -3.590) 6.025 9.780 ( -2.411 4.727 -2.147) 5.724 9.872 ( -2.317 -0.520 4.018) 4.667 9.950 ( -2.911 -2.765 -5.511) 6.818 10.014 ( 0.471 -5.556 0.030) 5.576 10.319 ( -3.426 1.600 -5.164) 6.400 10.338 ( -4.234 -0.227 -5.440) 6.897 10.915 ( 4.350 5.349 5.674) 8.929 11.046 ( 6.756 -7.378 2.717) 10.366 11.478 ( 2.532 0.609 3.613) 4.454 11.522 ( -0.756 -3.057 2.083) 3.776 17.947 ( -0.260 1.322 0.080) 1.349 18.016 ( -2.284 -5.883 -1.192) 6.422 18.408 ( -0.437 1.304 -0.076) 1.378 18.445 ( 0.521 -2.120 -0.464) 2.232 19.053 ( -4.533 6.887 2.257) 8.548 19.182 ( -5.657 -5.489 -0.535) 7.901 19.750 ( -3.382 5.646 -9.229) 11.335 19.860 ( -0.652 -5.577 -11.849) 13.112 20.824 ( -0.224 3.609 2.036) 4.150 20.847 ( -1.639 1.823 0.729) 2.558 21.323 ( -1.067 5.065 -0.906) 5.255 21.424 ( -1.581 -4.865 -3.388) 6.135 ======================= Grid point 126 (70/108) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.448 17.652 19.056) 26.354 1.465 ( 4.566 10.691 17.263) 20.813 1.745 ( 2.427 -10.428 14.565) 18.077 1.814 ( -3.153 -17.843 12.438) 21.977 2.097 ( 8.348 18.767 10.611) 23.119 2.335 ( 4.683 0.210 -1.595) 4.952 2.555 ( 0.845 2.620 -5.109) 5.803 2.597 ( 0.706 13.145 -4.266) 13.838 2.661 ( 1.488 -8.668 2.756) 9.216 2.861 ( 4.584 -10.281 -9.623) 14.809 3.200 ( 5.715 -0.450 -3.685) 6.815 3.228 ( 1.710 -3.889 -0.311) 4.259 3.549 ( 0.249 1.890 2.723) 3.324 3.601 ( -1.650 -2.468 2.095) 3.634 3.977 ( 0.809 4.682 -6.658) 8.180 4.062 ( -0.313 -4.520 -7.141) 8.457 4.494 ( -2.603 5.951 1.394) 6.643 4.585 ( -4.990 -1.448 -0.044) 5.196 4.747 ( -1.301 1.591 1.481) 2.534 4.818 ( -7.115 -3.521 1.910) 8.165 5.005 ( -0.256 1.564 1.186) 1.979 5.067 ( 0.513 -2.418 -1.398) 2.840 5.174 ( 1.683 3.961 -0.248) 4.311 5.244 ( 3.425 -2.657 -0.778) 4.404 5.350 ( -0.749 5.916 1.483) 6.145 5.366 ( -0.886 4.723 3.175) 5.760 5.499 ( -3.906 -4.260 4.815) 7.523 5.511 ( 2.591 -3.045 2.696) 4.822 5.669 ( -2.908 2.057 5.107) 6.227 5.757 ( 1.413 -6.381 1.979) 6.828 5.852 ( -3.123 4.324 3.259) 6.250 5.930 ( -2.702 -4.270 4.701) 6.901 6.053 ( -1.755 1.653 2.090) 3.191 6.084 ( 0.138 -1.108 1.682) 2.019 6.223 ( -0.892 -0.728 -1.948) 2.263 6.243 ( -0.745 -2.159 -1.214) 2.587 6.435 ( -0.639 1.731 -0.294) 1.868 6.472 ( -2.871 -2.027 1.786) 3.941 6.613 ( 0.135 2.392 0.973) 2.586 6.648 ( 1.097 -1.318 3.115) 3.555 6.998 ( -6.980 5.110 -5.195) 10.090 7.083 ( -4.078 -1.710 -5.167) 6.801 7.198 ( -1.866 0.836 0.233) 2.057 7.216 ( 0.855 -0.330 0.428) 1.012 7.603 ( 1.156 2.049 -0.293) 2.371 7.638 ( 0.572 -0.014 -0.738) 0.934 7.675 ( -5.027 0.347 -0.025) 5.039 7.686 ( -8.371 0.004 0.610) 8.394 9.595 ( -0.159 5.343 -4.054) 6.709 9.667 ( 4.542 0.363 -3.124) 5.524 9.805 ( -1.267 -2.136 1.859) 3.102 9.813 ( 2.897 -1.579 2.375) 4.065 9.969 ( 3.481 1.795 -0.884) 4.015 10.052 ( 3.453 -5.716 1.237) 6.792 10.282 ( 0.376 1.099 -5.476) 5.598 10.292 ( 0.199 0.149 -6.859) 6.864 10.981 ( 1.978 6.424 3.206) 7.447 11.108 ( 0.515 -5.346 -0.112) 5.372 11.538 ( 2.895 -0.094 2.686) 3.950 11.591 ( 4.630 -6.438 4.664) 9.200 18.005 ( 6.302 2.089 -0.256) 6.644 18.066 ( 7.651 -3.616 -2.175) 8.738 18.501 ( 8.929 3.004 -0.009) 9.421 18.558 ( 9.774 -2.641 0.240) 10.127 18.958 ( -4.046 7.542 3.117) 9.108 19.091 ( -3.181 -5.437 1.811) 6.554 19.683 ( -2.354 8.397 -8.494) 12.174 19.846 ( -0.102 -8.185 -10.755) 13.516 20.798 ( -2.202 3.747 2.080) 4.818 20.818 ( -1.337 1.857 1.825) 2.927 21.290 ( -1.666 3.292 0.006) 3.690 21.366 ( -3.309 -3.975 -1.740) 5.457 ======================= Grid point 127 (71/108) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.882 15.224 14.893) 21.850 1.634 ( 9.096 -0.380 13.838) 16.564 1.793 ( 3.663 -8.403 12.389) 15.411 1.870 ( 7.584 -7.939 12.902) 16.941 2.326 ( 11.366 11.668 2.864) 16.538 2.489 ( 8.683 -1.680 -2.182) 9.110 2.568 ( 0.645 13.074 -5.513) 14.203 2.605 ( 2.258 4.609 1.015) 5.232 2.736 ( 4.000 -4.007 2.685) 6.266 2.910 ( -0.224 -12.175 -5.116) 13.208 3.255 ( 2.844 4.400 -0.659) 5.280 3.325 ( 5.745 -3.076 -2.563) 7.003 3.565 ( 1.479 -1.620 3.492) 4.123 3.572 ( -0.248 -1.613 2.443) 2.938 3.995 ( 0.769 2.882 -3.894) 4.906 4.041 ( -0.924 -2.106 -4.249) 4.831 4.419 ( -4.182 3.965 -0.379) 5.775 4.468 ( -5.657 -0.814 -2.661) 6.305 4.704 ( -3.684 0.249 4.072) 5.497 4.750 ( -0.253 -5.050 2.341) 5.572 4.944 ( -6.026 1.667 2.588) 6.767 4.988 ( -7.208 -1.953 2.209) 7.788 5.154 ( -2.796 4.083 -0.817) 5.016 5.237 ( -3.358 -2.356 0.476) 4.129 5.336 ( -0.451 3.327 3.208) 4.643 5.427 ( -3.336 0.364 2.700) 4.307 5.462 ( 5.054 2.690 -2.500) 6.247 5.547 ( 0.172 -2.302 0.673) 2.405 5.622 ( 0.396 6.144 0.620) 6.188 5.783 ( -2.793 3.620 3.874) 5.992 5.822 ( 3.408 -9.592 -1.225) 10.253 5.868 ( -3.144 -5.498 4.820) 7.959 6.028 ( -1.201 1.965 1.947) 3.016 6.077 ( -0.639 -2.906 0.901) 3.109 6.172 ( -3.149 1.114 -1.073) 3.508 6.204 ( -2.304 -1.854 -0.685) 3.036 6.362 ( -4.646 2.723 2.801) 6.070 6.414 ( -3.393 -2.180 7.209) 8.261 6.635 ( 1.101 1.963 -3.919) 4.519 6.656 ( -2.238 -0.092 -1.368) 2.625 6.873 ( -3.174 5.669 -1.725) 6.722 6.989 ( -3.401 -5.134 -2.549) 6.665 7.187 ( -0.149 2.621 -0.994) 2.807 7.226 ( -0.138 -1.473 -0.743) 1.656 7.503 ( -6.394 3.580 0.402) 7.339 7.549 ( -5.023 -1.404 -1.305) 5.376 7.629 ( 0.625 2.598 -0.691) 2.760 7.681 ( 1.301 -2.590 -3.085) 4.233 9.586 ( -0.388 4.053 -0.614) 4.118 9.679 ( -1.974 -4.517 1.064) 5.043 9.826 ( 2.761 2.843 0.578) 4.005 9.881 ( 2.584 -2.484 1.211) 3.783 10.058 ( 4.973 2.274 -0.908) 5.543 10.131 ( 3.085 -4.217 2.530) 5.805 10.331 ( 4.641 1.043 -7.912) 9.232 10.348 ( 5.670 -0.441 -7.567) 9.466 11.016 ( 1.593 5.301 2.120) 5.927 11.108 ( -0.134 -3.405 0.513) 3.446 11.601 ( 2.796 0.198 3.112) 4.189 11.646 ( 0.804 -4.781 6.193) 7.865 18.199 ( 11.432 3.954 -1.607) 12.202 18.275 ( 11.470 -3.141 -2.586) 12.171 18.700 ( 7.472 5.121 -0.696) 9.085 18.789 ( 10.518 -3.496 -0.122) 11.084 18.950 ( 5.596 5.110 4.578) 8.854 19.062 ( 1.189 -5.773 4.414) 7.364 19.657 ( 0.444 9.542 -7.589) 12.200 19.845 ( 0.747 -9.471 -9.862) 13.694 20.754 ( -2.109 3.347 1.802) 4.348 20.787 ( -1.743 0.238 2.438) 3.007 21.268 ( -0.353 1.834 0.680) 1.988 21.311 ( -1.572 -2.376 -0.257) 2.860 ======================= Grid point 128 (72/108) ======================= q-point: ( 0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 12.783 8.711 7.943) 17.389 1.801 ( 7.903 -12.061 7.212) 16.123 1.990 ( 12.392 3.502 12.181) 17.726 2.057 ( 9.048 -3.570 10.177) 14.077 2.461 ( 0.895 7.733 -4.113) 8.804 2.578 ( 3.139 -0.882 -1.574) 3.621 2.643 ( 5.032 9.173 -1.555) 10.577 2.724 ( 6.974 3.987 4.379) 9.149 2.794 ( 1.242 -1.193 1.586) 2.341 2.878 ( -0.977 -8.948 -1.087) 9.067 3.340 ( 4.697 5.431 -0.778) 7.223 3.427 ( 4.101 -3.018 0.013) 5.092 3.602 ( 3.347 -1.341 1.976) 4.112 3.627 ( 3.655 -3.979 4.270) 6.886 3.974 ( -2.451 2.953 -1.144) 4.004 4.019 ( -1.802 -1.293 -0.573) 2.291 4.352 ( -1.975 1.428 -0.315) 2.457 4.372 ( -3.309 -0.793 -2.287) 4.100 4.648 ( -2.529 2.794 2.247) 4.388 4.719 ( -5.117 -3.155 1.349) 6.161 4.811 ( -8.441 -0.094 2.881) 8.920 4.822 ( -3.198 -2.498 1.987) 4.518 5.082 ( -3.704 2.768 -1.853) 4.982 5.137 ( -6.032 -1.945 0.740) 6.381 5.306 ( -3.564 1.562 -0.619) 3.940 5.340 ( -3.850 -1.413 0.729) 4.165 5.536 ( 2.685 1.265 -1.740) 3.440 5.555 ( 1.690 -0.460 1.612) 2.380 5.640 ( -0.850 4.979 -2.271) 5.538 5.739 ( -3.430 0.194 1.070) 3.598 5.819 ( -3.169 -1.612 1.747) 3.961 5.847 ( 1.210 -3.294 7.156) 7.970 6.021 ( 2.128 3.405 0.607) 4.061 6.111 ( 2.898 -3.871 1.327) 5.014 6.125 ( -1.338 1.148 -2.418) 2.992 6.165 ( -1.337 -3.636 0.144) 3.877 6.288 ( -2.153 4.157 3.900) 6.093 6.360 ( -1.874 -2.014 7.429) 7.922 6.550 ( -6.481 4.802 -3.787) 8.911 6.618 ( -2.480 -2.542 -4.747) 5.929 6.880 ( 2.494 2.525 -0.630) 3.605 6.954 ( -0.477 -4.475 -2.753) 5.276 7.170 ( -1.605 1.111 -1.874) 2.706 7.196 ( -2.792 -1.829 -1.603) 3.702 7.429 ( -1.181 2.777 0.424) 3.047 7.478 ( -1.688 -2.166 -0.554) 2.802 7.650 ( 1.435 3.458 -1.545) 4.050 7.704 ( 1.308 -1.989 -4.045) 4.694 9.576 ( -0.776 1.977 2.336) 3.157 9.633 ( -2.468 -3.234 3.578) 5.418 9.877 ( 2.071 1.657 -0.495) 2.698 9.922 ( 1.675 -2.884 -0.987) 3.478 10.157 ( 4.330 1.338 -1.434) 4.753 10.178 ( 1.958 -0.526 2.141) 2.948 10.442 ( 6.123 1.875 -8.417) 10.576 10.483 ( 7.172 -1.831 -7.984) 10.887 11.048 ( 1.230 3.604 2.880) 4.774 11.105 ( -0.373 -1.755 2.734) 3.270 11.648 ( 1.243 -0.814 3.888) 4.163 11.656 ( 0.519 -1.499 4.433) 4.708 18.406 ( 7.620 4.396 0.686) 8.824 18.476 ( 7.535 -1.384 -1.406) 7.789 18.774 ( 2.520 4.363 -2.305) 5.541 18.890 ( 0.749 -6.199 -1.020) 6.327 19.171 ( 12.150 2.672 5.372) 13.551 19.224 ( 12.586 -2.440 4.884) 13.719 19.692 ( 3.201 8.342 -6.834) 11.249 19.868 ( 2.073 -9.167 -9.002) 13.015 20.718 ( -1.423 2.646 1.733) 3.468 20.757 ( -1.236 -1.035 2.513) 2.986 21.278 ( 1.123 1.387 0.765) 1.941 21.304 ( 0.649 -1.157 0.189) 1.340 ======================= Grid point 129 (73/108) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 12.081 3.880 3.064) 13.053 1.981 ( 8.892 -8.587 2.277) 12.569 2.192 ( 4.296 0.449 5.707) 7.157 2.225 ( 6.324 -1.774 9.313) 11.396 2.450 ( 0.264 9.853 -2.631) 10.201 2.628 ( 1.859 -7.030 1.225) 7.374 2.719 ( 1.469 8.944 0.198) 9.066 2.800 ( 2.122 3.541 1.966) 4.572 2.839 ( 3.272 -0.397 2.098) 3.907 2.872 ( -0.863 -5.576 0.346) 5.652 3.412 ( 1.551 4.215 3.369) 5.614 3.482 ( 0.862 -2.546 2.061) 3.387 3.683 ( 3.718 -0.510 1.830) 4.176 3.698 ( 2.513 -1.835 4.759) 5.686 3.918 ( -2.397 2.882 0.761) 3.825 3.966 ( -2.698 -1.792 0.663) 3.306 4.337 ( 0.076 -0.680 -0.457) 0.823 4.346 ( 1.462 -1.013 0.791) 1.946 4.538 ( -7.233 2.474 1.862) 7.868 4.586 ( -6.398 -1.278 2.488) 6.983 4.728 ( 0.007 2.232 0.104) 2.235 4.803 ( -0.968 -5.532 -0.201) 5.620 5.012 ( -3.090 0.956 -1.718) 3.663 5.042 ( -1.541 -1.912 -3.023) 3.895 5.231 ( -2.861 1.992 -1.559) 3.819 5.269 ( -3.214 -1.768 -1.795) 4.084 5.572 ( -2.088 1.737 -0.945) 2.876 5.582 ( -1.010 0.995 -0.002) 1.418 5.601 ( 1.426 0.562 1.233) 1.967 5.666 ( -2.743 -3.204 -1.830) 4.598 5.785 ( 1.372 6.480 3.677) 7.575 5.884 ( 1.622 -1.511 8.558) 8.840 6.044 ( -4.125 0.350 2.578) 4.877 6.091 ( -1.620 -2.229 1.476) 3.126 6.131 ( 4.516 3.510 -1.726) 5.974 6.231 ( 4.743 -4.509 0.072) 6.545 6.288 ( 1.359 4.318 0.949) 4.625 6.346 ( -0.552 0.143 3.197) 3.247 6.419 ( -5.806 6.783 -2.604) 9.301 6.559 ( -2.278 -6.625 -3.401) 7.787 6.936 ( 2.471 -1.009 -2.115) 3.405 6.945 ( -0.117 -1.713 -1.532) 2.301 7.120 ( -3.691 -1.254 -1.865) 4.321 7.133 ( -2.064 -1.985 -1.356) 3.168 7.429 ( 0.589 2.215 -0.762) 2.415 7.465 ( -0.097 -1.283 -0.973) 1.613 7.679 ( 1.319 3.493 -1.264) 3.942 7.731 ( 1.468 -1.705 -4.338) 4.886 9.556 ( -1.305 0.243 4.104) 4.313 9.586 ( -2.403 -2.269 4.282) 5.409 9.908 ( 1.084 1.100 -0.900) 1.788 9.952 ( 1.345 -3.340 -2.583) 4.431 10.202 ( 1.066 3.198 1.026) 3.524 10.243 ( 3.346 -0.700 -2.025) 3.973 10.550 ( 4.739 2.759 -8.370) 10.006 10.609 ( 5.386 -2.394 -8.108) 10.024 11.061 ( -0.352 2.274 4.557) 5.105 11.093 ( -1.014 -0.615 4.452) 4.607 11.654 ( -0.084 0.585 4.005) 4.048 11.681 ( 1.002 -1.935 2.394) 3.237 18.482 ( 0.148 4.614 3.497) 5.791 18.566 ( 1.132 -2.380 1.823) 3.204 18.844 ( 4.383 2.667 -3.994) 6.502 18.924 ( 4.022 -4.023 -4.573) 7.299 19.377 ( 6.711 3.321 5.753) 9.443 19.447 ( 7.457 -3.477 5.801) 10.067 19.766 ( 4.157 6.879 -6.842) 10.555 19.917 ( 3.106 -8.091 -8.100) 11.863 20.704 ( 0.026 2.198 1.815) 2.850 20.743 ( -0.269 -1.500 2.291) 2.752 21.305 ( 1.240 1.378 0.606) 1.951 21.326 ( 1.181 -0.611 0.303) 1.364 ======================= Grid point 130 (74/108) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.675 4.145 2.590) 4.934 2.130 ( 3.919 -7.732 -0.691) 8.696 2.220 ( 0.610 -0.771 1.937) 2.172 2.250 ( -1.553 -3.503 3.889) 5.459 2.490 ( 1.497 10.744 1.615) 10.967 2.640 ( -1.394 -1.952 0.364) 2.426 2.710 ( -1.729 4.193 2.685) 5.271 2.814 ( -3.224 -3.665 -0.302) 4.891 2.870 ( 3.621 3.136 3.490) 5.926 2.926 ( 4.415 -1.287 2.209) 5.102 3.389 ( -3.860 1.873 5.926) 7.317 3.455 ( -3.421 -4.114 5.088) 7.384 3.716 ( -0.633 1.587 4.050) 4.396 3.735 ( -0.017 -0.149 2.980) 2.984 3.902 ( 1.120 1.609 0.384) 1.997 3.930 ( -0.910 -0.797 -0.082) 1.212 4.366 ( 0.534 1.563 0.957) 1.909 4.398 ( 2.692 0.918 1.503) 3.217 4.449 ( 1.413 -2.088 1.331) 2.851 4.493 ( -2.481 -2.575 1.557) 3.900 4.751 ( 1.670 -0.328 0.117) 1.706 4.779 ( -0.336 -3.549 -0.854) 3.666 4.998 ( 2.415 2.382 -2.582) 4.264 5.061 ( 3.119 -3.824 -3.377) 5.980 5.177 ( -3.137 1.212 -2.013) 3.919 5.201 ( -3.373 -0.592 -3.187) 4.678 5.517 ( -1.010 4.263 -0.490) 4.408 5.560 ( -1.217 3.965 0.009) 4.147 5.614 ( -0.207 -1.678 1.798) 2.468 5.648 ( 0.415 -3.500 0.711) 3.595 5.856 ( 3.206 4.241 3.368) 6.294 5.928 ( 2.878 0.334 5.643) 6.344 5.974 ( -2.441 1.198 3.416) 4.366 6.065 ( 0.569 -5.344 -0.390) 5.388 6.232 ( 4.039 5.015 0.416) 6.453 6.259 ( -3.322 4.087 0.302) 5.275 6.303 ( -2.400 -0.540 -4.099) 4.781 6.336 ( 0.713 8.697 -1.607) 8.873 6.352 ( 1.437 -2.167 2.805) 3.825 6.541 ( 0.546 -8.542 -1.340) 8.663 6.931 ( -0.367 -0.501 -1.026) 1.200 6.989 ( 1.457 -4.479 -0.817) 4.781 7.054 ( -1.641 1.264 -1.516) 2.567 7.104 ( -0.581 -3.708 -1.133) 3.921 7.438 ( 0.233 1.685 -2.021) 2.642 7.457 ( -0.702 -0.281 -1.745) 1.902 7.693 ( -0.008 3.748 -1.243) 3.949 7.752 ( 0.670 -2.223 -4.103) 4.714 9.528 ( -1.768 -0.955 4.854) 5.254 9.539 ( -2.399 -1.854 4.227) 5.202 9.923 ( 0.438 1.374 -1.027) 1.771 9.973 ( 0.806 -3.682 -3.174) 4.928 10.213 ( -0.005 5.484 0.021) 5.484 10.293 ( 1.604 -2.116 -3.302) 4.237 10.617 ( 2.269 3.421 -7.918) 8.919 10.686 ( 2.632 -2.611 -7.818) 8.652 11.034 ( -2.691 2.094 6.310) 7.173 11.064 ( -2.310 -0.726 4.885) 5.452 11.653 ( -0.313 1.651 3.095) 3.522 11.697 ( 0.530 -2.722 2.491) 3.728 18.450 ( -2.931 3.617 3.040) 5.560 18.538 ( -3.241 -4.497 3.355) 6.479 18.940 ( 5.072 5.086 -5.610) 9.114 19.034 ( 6.304 -3.587 -4.626) 8.603 19.432 ( -1.643 3.652 5.211) 6.572 19.511 ( -1.423 -4.152 5.509) 7.044 19.840 ( 3.163 6.015 -6.313) 9.275 19.974 ( 2.646 -7.303 -7.012) 10.464 20.719 ( 1.169 1.425 1.724) 2.524 20.747 ( 0.467 -1.139 1.891) 2.256 21.318 ( -0.120 1.729 0.505) 1.805 21.342 ( 0.277 -0.566 0.472) 0.787 ======================= Grid point 131 (75/108) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -9.820 7.204 6.510) 13.809 2.076 ( -6.581 -11.139 5.448) 14.038 2.234 ( -1.223 0.894 1.093) 1.868 2.271 ( 0.612 -3.301 0.001) 3.357 2.457 ( -3.975 11.028 -0.986) 11.764 2.586 ( -3.351 2.361 -0.941) 4.206 2.656 ( -3.492 1.668 2.461) 4.586 2.757 ( -2.426 -3.444 -0.636) 4.260 2.931 ( 1.823 3.010 2.660) 4.412 2.994 ( 1.300 -2.460 2.980) 4.077 3.298 ( -4.592 0.445 4.943) 6.761 3.365 ( -5.709 -5.147 6.832) 10.284 3.676 ( -3.579 0.957 5.347) 6.505 3.689 ( -3.752 0.062 3.100) 4.867 3.923 ( 0.205 1.458 -2.277) 2.712 3.946 ( 2.454 -0.739 -1.356) 2.900 4.332 ( -1.364 5.706 -0.929) 5.940 4.448 ( -0.367 -5.124 -1.024) 5.238 4.523 ( 7.352 0.967 2.505) 7.827 4.562 ( 6.155 -3.167 3.417) 7.720 4.782 ( 2.278 0.210 0.893) 2.456 4.826 ( 3.939 -4.123 -1.478) 5.890 5.076 ( 0.315 2.213 0.735) 2.353 5.103 ( -0.452 1.697 -2.118) 2.752 5.151 ( 3.465 -2.491 -2.856) 5.135 5.164 ( 4.595 -2.875 -3.156) 6.273 5.495 ( -2.562 6.894 2.552) 7.784 5.571 ( 2.680 5.204 0.115) 5.855 5.643 ( 3.345 -3.229 -0.285) 4.658 5.671 ( 2.089 -6.380 2.971) 7.341 5.869 ( -1.211 3.886 5.158) 6.570 5.924 ( -1.593 -1.591 1.478) 2.693 6.045 ( 5.889 4.212 0.019) 7.241 6.098 ( 0.729 -1.338 -3.264) 3.602 6.186 ( -2.154 2.517 -1.114) 3.495 6.211 ( -4.224 0.426 0.844) 4.329 6.301 ( 2.252 4.323 0.620) 4.914 6.354 ( 0.783 8.733 -0.871) 8.811 6.392 ( 1.325 -4.570 1.213) 4.910 6.564 ( 1.497 -8.989 0.313) 9.118 6.934 ( 0.752 0.477 -0.353) 0.958 6.980 ( -0.689 -2.816 -1.030) 3.077 7.064 ( 1.314 1.732 -1.522) 2.654 7.136 ( 4.225 -5.295 0.478) 6.791 7.433 ( -1.060 1.039 -2.863) 3.224 7.437 ( -0.469 0.429 -1.759) 1.870 7.676 ( -1.585 4.363 -1.797) 4.978 7.748 ( -0.838 -3.030 -3.839) 4.962 9.490 ( -2.181 -1.346 4.170) 4.895 9.493 ( -2.325 -1.961 4.498) 5.430 9.926 ( -0.105 1.945 -0.709) 2.073 9.980 ( 0.143 -3.575 -3.135) 4.757 10.200 ( -1.276 6.606 -1.618) 6.920 10.303 ( -0.367 -3.259 -4.614) 5.661 10.633 ( -0.245 3.800 -7.134) 8.086 10.706 ( -0.232 -2.562 -7.050) 7.504 10.961 ( -4.763 2.402 7.288) 9.032 11.000 ( -4.381 -1.425 5.246) 6.982 11.644 ( -0.786 2.540 3.003) 4.011 11.706 ( 0.085 -3.570 3.065) 4.706 18.377 ( -4.265 2.540 1.982) 5.345 18.458 ( -4.579 -5.145 2.262) 7.250 19.026 ( 3.102 7.169 -5.624) 9.625 19.151 ( 4.680 -4.720 -3.690) 7.603 19.328 ( -8.290 3.804 3.758) 9.865 19.409 ( -8.058 -4.066 4.596) 10.129 19.881 ( 1.292 5.520 -5.906) 8.187 20.006 ( 0.755 -6.774 -6.975) 9.752 20.743 ( 0.892 1.129 1.384) 1.996 20.769 ( 1.800 -1.238 1.197) 2.491 21.303 ( -1.221 2.559 0.596) 2.897 21.339 ( -0.496 -0.917 0.696) 1.254 ======================= Grid point 132 (76/108) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -9.467 11.076 11.189) 18.371 1.943 ( -6.210 -14.060 9.879) 18.271 2.113 ( -10.717 8.331 7.523) 15.520 2.212 ( -6.277 -3.789 5.455) 9.139 2.412 ( 0.532 4.944 -8.957) 10.245 2.506 ( -3.645 1.133 -2.701) 4.676 2.586 ( -3.649 4.701 -0.997) 6.034 2.699 ( -3.365 -1.241 -0.441) 3.614 2.954 ( 0.424 0.700 2.248) 2.392 2.979 ( -2.294 -2.307 2.300) 3.984 3.201 ( -6.183 -0.985 2.562) 6.765 3.226 ( -8.106 -2.797 5.982) 10.455 3.586 ( -4.693 0.926 5.597) 7.362 3.616 ( -3.600 -1.883 4.842) 6.321 3.925 ( -0.029 2.714 -5.554) 6.182 3.983 ( 1.121 -2.743 -4.067) 5.032 4.329 ( 1.453 6.241 -1.439) 6.568 4.454 ( 1.423 -5.691 -2.924) 6.554 4.659 ( 5.081 1.060 1.618) 5.436 4.703 ( 7.107 -3.063 2.348) 8.087 4.832 ( 1.855 1.015 5.002) 5.430 4.889 ( 1.911 -4.367 0.803) 4.834 5.088 ( 4.314 2.115 0.615) 4.844 5.136 ( 4.391 -2.252 -0.121) 4.936 5.284 ( 6.892 0.205 -1.923) 7.158 5.302 ( 7.313 -1.896 -1.773) 7.760 5.442 ( -2.159 10.001 2.925) 10.641 5.626 ( 1.878 -2.003 0.864) 2.879 5.691 ( 1.195 -2.361 2.403) 3.575 5.750 ( 2.942 -3.498 1.307) 4.754 5.859 ( 0.986 4.447 2.820) 5.357 5.903 ( 0.403 -0.725 -1.678) 1.872 6.050 ( -3.909 0.208 2.310) 4.546 6.077 ( -5.664 -0.741 0.438) 5.730 6.146 ( 3.754 6.710 -1.845) 7.907 6.242 ( 2.550 -1.548 -2.529) 3.910 6.328 ( 0.534 1.266 -3.636) 3.887 6.387 ( 2.771 6.950 0.934) 7.540 6.414 ( 1.493 -2.229 3.950) 4.775 6.601 ( 2.281 -8.809 3.454) 9.733 6.954 ( 1.131 0.446 -1.936) 2.287 6.988 ( 1.556 -2.678 -1.234) 3.334 7.117 ( 4.357 6.316 -0.744) 7.709 7.259 ( 7.188 -7.101 0.980) 10.152 7.409 ( -0.607 2.021 -2.183) 3.036 7.434 ( 0.545 -0.527 -1.711) 1.872 7.634 ( -2.054 5.000 -2.507) 5.959 7.717 ( -1.693 -3.457 -3.635) 5.294 9.447 ( -2.089 -1.185 2.860) 3.735 9.453 ( -1.852 -2.132 4.487) 5.302 9.919 ( -0.512 2.639 0.121) 2.691 9.974 ( -0.561 -2.621 -2.802) 3.877 10.159 ( -2.623 6.135 -3.637) 7.599 10.271 ( -2.473 -4.331 -5.989) 7.794 10.602 ( -2.292 3.963 -6.725) 8.135 10.672 ( -2.576 -2.215 -6.407) 7.252 10.858 ( -5.301 2.249 8.336) 10.132 10.897 ( -5.643 -1.798 6.351) 8.684 11.620 ( -1.889 3.456 3.354) 5.174 11.699 ( -1.117 -4.414 3.773) 5.913 18.277 ( -5.767 2.102 0.837) 6.195 18.356 ( -5.551 -5.651 0.443) 7.934 18.992 ( -8.678 5.688 -2.193) 10.605 19.094 ( -12.624 -3.853 -0.470) 13.208 19.188 ( -2.244 5.656 0.871) 6.147 19.314 ( 1.061 -5.793 0.480) 5.909 19.886 ( -0.331 5.037 -6.786) 8.458 19.996 ( -1.253 -5.828 -8.700) 10.546 20.761 ( 0.992 2.651 0.950) 2.985 20.816 ( 2.519 -2.791 0.194) 3.764 21.283 ( -0.363 3.509 0.739) 3.604 21.334 ( 0.337 -1.467 0.794) 1.702 ======================= Grid point 133 (77/108) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -5.708 14.800 15.231) 21.991 1.836 ( -7.602 -4.297 12.260) 15.052 1.876 ( -9.282 1.500 11.468) 14.830 2.050 ( -9.102 -6.822 11.314) 16.044 2.400 ( -2.816 8.479 -4.154) 9.852 2.501 ( 3.136 -0.527 -7.371) 8.028 2.506 ( -3.240 3.681 -4.964) 6.978 2.606 ( -5.775 -0.042 1.690) 6.017 2.900 ( -5.377 1.764 2.552) 6.207 2.960 ( -1.859 -1.243 3.388) 4.060 3.042 ( -6.741 -0.274 -0.243) 6.751 3.086 ( -4.555 -5.121 -1.385) 6.992 3.523 ( -1.200 -0.324 5.186) 5.333 3.552 ( -2.837 -2.856 5.994) 7.220 3.914 ( -0.493 3.420 -7.375) 8.145 3.988 ( 0.165 -4.053 -7.047) 8.131 4.398 ( 5.327 6.416 -1.077) 8.409 4.510 ( 3.898 -4.681 -3.362) 6.958 4.735 ( 2.735 0.940 0.907) 3.031 4.788 ( 1.247 -3.592 1.674) 4.154 4.916 ( 5.858 -0.348 5.958) 8.363 4.935 ( 3.200 -3.110 3.892) 5.922 5.191 ( 3.733 4.359 0.560) 5.767 5.261 ( 5.792 -2.491 0.500) 6.325 5.368 ( 0.009 3.202 0.561) 3.251 5.399 ( 0.963 4.318 -0.277) 4.433 5.430 ( 2.342 4.293 2.762) 5.616 5.637 ( -1.316 -8.630 1.192) 8.810 5.713 ( 1.901 1.174 -0.886) 2.404 5.773 ( 1.956 -3.462 -2.041) 4.470 5.848 ( -2.482 4.748 1.752) 5.636 5.951 ( -5.216 -3.709 5.588) 8.496 5.973 ( 4.192 2.325 4.390) 6.500 6.032 ( 1.272 -2.084 1.660) 2.952 6.200 ( 1.197 4.461 -1.649) 4.904 6.257 ( -0.592 -0.401 -2.532) 2.631 6.341 ( 1.835 2.649 -3.481) 4.744 6.424 ( 1.613 -5.414 -4.102) 6.981 6.496 ( 4.553 6.681 7.559) 11.068 6.661 ( 2.788 -7.944 6.255) 10.488 6.983 ( 2.105 1.709 -2.890) 3.962 7.037 ( 3.223 -3.290 -2.124) 5.072 7.214 ( 3.674 8.169 -3.196) 9.511 7.366 ( 1.883 -6.896 -1.419) 7.288 7.422 ( 2.216 4.116 0.560) 4.708 7.494 ( 4.952 -2.749 0.527) 5.688 7.612 ( 1.045 5.641 -2.893) 6.425 7.704 ( 2.120 -3.568 -2.592) 4.893 9.417 ( -0.687 -0.649 2.150) 2.348 9.432 ( -0.122 -2.005 2.687) 3.355 9.906 ( -0.817 3.383 1.325) 3.724 9.951 ( -1.827 0.460 -2.835) 3.404 10.089 ( -3.743 2.804 -4.671) 6.610 10.193 ( -4.874 -5.601 -7.113) 10.282 10.529 ( -4.605 3.894 -7.124) 9.334 10.591 ( -5.228 -1.935 -6.284) 8.400 10.788 ( -1.299 1.273 9.385) 9.560 10.811 ( -1.964 -1.145 8.208) 8.517 11.568 ( -3.450 4.148 3.582) 6.476 11.658 ( -3.206 -4.880 4.044) 7.102 18.144 ( -7.032 2.347 -0.104) 7.414 18.233 ( -6.451 -6.457 -1.311) 9.221 18.741 ( -13.271 2.805 0.038) 13.564 18.803 ( -14.328 -2.987 0.093) 14.636 19.168 ( -1.083 8.302 -0.701) 8.401 19.339 ( -0.002 -8.597 -0.227) 8.600 19.863 ( -1.419 4.263 -8.275) 9.416 19.949 ( -2.516 -4.519 -11.376) 12.496 20.787 ( 1.396 4.145 0.771) 4.441 20.859 ( 1.426 -2.994 -0.404) 3.341 21.295 ( 1.342 4.307 0.354) 4.525 21.363 ( 2.504 -2.489 -0.213) 3.537 ======================= Grid point 134 (78/108) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -3.014 16.027 17.027) 23.577 1.626 ( -9.115 16.967 14.240) 23.953 1.789 ( -4.647 -15.597 13.217) 20.966 1.906 ( -4.442 -12.518 12.988) 18.577 2.269 ( -10.709 17.392 9.916) 22.704 2.424 ( -6.131 6.357 -0.164) 8.833 2.494 ( 1.290 1.850 -6.072) 6.477 2.595 ( 0.997 -9.147 -4.201) 10.115 2.791 ( -3.701 0.569 -3.156) 4.897 2.838 ( -7.306 -2.398 -1.298) 7.798 2.985 ( 1.332 2.013 -3.697) 4.415 3.105 ( 4.177 -6.598 -2.574) 8.222 3.520 ( -0.465 -0.600 5.314) 5.367 3.548 ( 2.876 -3.138 3.202) 5.327 3.912 ( 1.164 4.082 -7.743) 8.830 4.000 ( 1.709 -5.325 -8.298) 10.007 4.524 ( 5.001 6.119 0.047) 7.903 4.571 ( 2.454 0.531 -0.898) 2.666 4.784 ( 0.804 0.186 1.401) 1.626 4.839 ( 6.340 -4.469 -0.301) 7.762 4.986 ( 1.956 1.359 3.548) 4.274 5.040 ( 4.099 -3.511 3.260) 6.305 5.170 ( -7.069 5.836 -0.624) 9.188 5.227 ( -5.787 2.546 -0.678) 6.358 5.367 ( 1.434 2.438 -1.035) 3.012 5.433 ( 0.364 -2.218 1.762) 2.856 5.506 ( 4.397 1.325 6.697) 8.121 5.593 ( -2.026 -6.294 1.496) 6.779 5.727 ( -3.435 4.897 6.781) 9.043 5.793 ( 2.350 0.814 -1.231) 2.775 5.844 ( -3.536 -2.800 5.564) 7.163 5.903 ( 4.679 -5.386 -0.435) 7.148 6.037 ( 1.363 2.954 2.757) 4.265 6.079 ( 2.678 -0.864 1.222) 3.068 6.197 ( -0.517 2.771 0.834) 2.940 6.240 ( -0.552 -1.236 0.748) 1.547 6.396 ( 2.475 2.567 -2.958) 4.633 6.454 ( 1.791 -3.801 -3.822) 5.680 6.572 ( 2.403 4.082 5.216) 7.046 6.695 ( -0.184 -6.872 6.384) 9.382 7.039 ( 3.309 3.587 -3.578) 6.051 7.105 ( 3.152 -2.592 -3.134) 5.145 7.233 ( -0.996 6.386 -4.689) 7.985 7.358 ( -2.097 -5.715 -4.446) 7.539 7.478 ( 2.826 3.952 2.954) 5.686 7.550 ( 1.432 -2.704 0.899) 3.189 7.694 ( 5.506 6.993 -0.743) 8.932 7.814 ( 5.853 -4.571 -0.310) 7.433 9.436 ( 2.840 0.870 0.570) 3.025 9.466 ( 3.601 -1.866 -0.041) 4.056 9.875 ( -4.553 6.191 -4.311) 8.811 9.893 ( -1.378 3.542 2.782) 4.710 10.026 ( -1.765 -3.556 -1.659) 4.303 10.069 ( -6.512 -6.566 -7.780) 12.085 10.416 ( -5.485 2.794 -6.270) 8.786 10.459 ( -6.732 -1.325 -5.217) 8.619 10.821 ( 3.542 2.013 7.915) 8.902 10.871 ( 7.320 -2.807 7.121) 10.591 11.494 ( -3.335 4.031 3.352) 6.214 11.580 ( -4.207 -4.515 3.275) 6.987 18.010 ( -5.456 2.447 -0.297) 5.987 18.104 ( -5.631 -7.120 -1.868) 9.268 18.507 ( -8.814 1.257 -0.126) 8.904 18.549 ( -9.863 -2.669 -0.219) 10.220 19.127 ( -2.864 7.943 0.460) 8.456 19.294 ( -4.389 -8.677 -0.453) 9.734 19.819 ( -2.533 3.745 -9.103) 10.164 19.893 ( -1.938 -3.694 -12.828) 13.489 20.814 ( 1.030 4.400 1.141) 4.661 20.869 ( -0.370 -0.984 0.044) 1.052 21.323 ( 1.004 5.264 -0.627) 5.396 21.418 ( 2.181 -4.189 -2.627) 5.404 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.126 0.000 19.980) 20.011 1.595 ( -3.138 0.000 6.822) 7.509 1.639 ( 3.728 0.000 4.947) 6.195 2.135 ( -3.870 0.000 -20.250) 20.616 2.276 ( -7.166 0.000 18.105) 19.472 2.323 ( -1.442 0.000 2.722) 3.080 2.343 ( 1.731 0.000 -0.301) 1.757 2.403 ( -1.466 0.000 2.594) 2.980 2.715 ( -1.033 0.000 -0.093) 1.037 2.890 ( 10.820 0.000 -12.919) 16.851 3.111 ( 2.311 0.000 3.735) 4.392 3.137 ( -2.021 0.000 1.008) 2.258 3.592 ( -0.042 0.000 1.065) 1.066 3.651 ( 0.589 0.000 -4.658) 4.696 3.924 ( -2.881 0.000 5.971) 6.630 4.086 ( 3.191 0.000 -9.457) 9.980 4.403 ( 2.355 0.000 3.103) 3.896 4.474 ( -3.888 0.000 -3.613) 5.308 4.688 ( 2.794 0.000 2.440) 3.709 4.757 ( -0.520 0.000 -4.059) 4.092 4.999 ( -3.724 0.000 6.144) 7.185 5.117 ( 3.744 0.000 -4.929) 6.189 5.225 ( -0.647 0.000 5.953) 5.988 5.302 ( 1.126 0.000 -1.064) 1.550 5.408 ( 0.160 0.000 1.344) 1.353 5.418 ( -2.283 0.000 -0.002) 2.283 5.558 ( -5.066 0.000 5.465) 7.452 5.665 ( 3.572 0.000 -4.274) 5.570 5.737 ( 2.542 0.000 6.389) 6.876 5.836 ( -4.506 0.000 -2.707) 5.256 5.922 ( -0.032 0.000 6.189) 6.189 5.951 ( -2.484 0.000 5.777) 6.288 6.069 ( 1.925 0.000 -3.991) 4.431 6.097 ( 3.974 0.000 -8.619) 9.491 6.281 ( 3.557 0.000 11.395) 11.938 6.412 ( -1.452 0.000 4.759) 4.975 6.414 ( 0.794 0.000 -0.105) 0.801 6.582 ( -6.373 0.000 -10.169) 12.001 6.712 ( 2.810 0.000 5.771) 6.419 6.730 ( 4.258 0.000 5.014) 6.578 6.871 ( -2.570 0.000 -6.147) 6.663 6.912 ( -6.281 0.000 -8.093) 10.245 7.171 ( -0.425 0.000 1.613) 1.668 7.191 ( 1.795 0.000 0.592) 1.890 7.597 ( -0.115 0.000 0.730) 0.739 7.625 ( 3.004 0.000 -1.063) 3.187 7.627 ( 2.610 0.000 3.945) 4.730 7.733 ( -5.242 0.000 -5.787) 7.809 9.471 ( -3.166 0.000 0.204) 3.173 9.484 ( 3.972 0.000 -0.744) 4.041 9.826 ( 3.918 0.000 6.140) 7.284 9.890 ( 2.647 0.000 2.890) 3.919 10.060 ( -5.341 0.000 -5.895) 7.955 10.071 ( 0.680 0.000 -4.961) 5.007 10.185 ( 2.256 0.000 -1.147) 2.531 10.193 ( -5.698 0.000 -1.710) 5.949 10.961 ( -0.142 0.000 6.420) 6.422 11.087 ( 1.307 0.000 -5.431) 5.586 11.621 ( -6.396 0.000 0.671) 6.431 11.625 ( 12.023 0.000 0.113) 12.024 17.987 ( 1.398 0.000 2.599) 2.951 18.083 ( -0.819 0.000 -6.546) 6.597 18.496 ( -4.952 0.000 0.182) 4.955 18.502 ( 2.554 0.000 -0.156) 2.559 19.037 ( 6.715 0.000 0.539) 6.737 19.046 ( -15.034 0.000 -0.179) 15.035 19.640 ( -4.582 0.000 4.553) 6.459 19.786 ( 3.826 0.000 -8.993) 9.773 20.730 ( 1.638 0.000 2.143) 2.697 20.738 ( -3.260 0.000 1.459) 3.571 21.283 ( 0.985 0.000 4.033) 4.151 21.395 ( -0.687 0.000 -6.395) 6.432 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 7.661 0.000 18.114) 19.667 1.531 ( -4.326 0.000 22.532) 22.943 1.709 ( 3.999 0.000 -9.047) 9.891 2.053 ( -1.619 0.000 -17.045) 17.122 2.248 ( 4.731 0.000 15.435) 16.144 2.347 ( 0.842 0.000 -2.009) 2.178 2.372 ( 5.354 0.000 8.799) 10.300 2.466 ( 4.509 0.000 5.225) 6.902 2.752 ( 3.570 0.000 -4.735) 5.930 3.075 ( -3.700 0.000 -1.184) 3.885 3.130 ( -0.460 0.000 3.605) 3.634 3.136 ( 12.416 0.000 -10.969) 16.568 3.606 ( 0.743 0.000 0.762) 1.064 3.686 ( 3.287 0.000 -5.320) 6.254 3.817 ( -4.943 0.000 7.021) 8.586 4.068 ( -3.298 0.000 -9.059) 9.640 4.417 ( -2.185 0.000 -4.526) 5.026 4.422 ( -1.862 0.000 4.364) 4.744 4.806 ( 5.475 0.000 -3.995) 6.778 4.808 ( 7.879 0.000 0.764) 7.916 4.949 ( -1.157 0.000 5.552) 5.671 5.129 ( -8.182 0.000 1.748) 8.367 5.150 ( -1.874 0.000 -5.272) 5.595 5.228 ( -4.635 0.000 1.023) 4.747 5.368 ( -3.412 0.000 1.734) 3.827 5.456 ( 2.846 0.000 6.728) 7.305 5.538 ( 1.329 0.000 5.010) 5.184 5.650 ( -4.240 0.000 3.839) 5.720 5.717 ( -6.368 0.000 -3.232) 7.141 5.786 ( 1.516 0.000 3.401) 3.724 5.933 ( 0.171 0.000 2.698) 2.703 5.977 ( 4.289 0.000 -1.060) 4.418 6.096 ( 1.302 0.000 -1.794) 2.217 6.126 ( -1.237 0.000 -9.455) 9.535 6.317 ( -4.249 0.000 2.937) 5.166 6.355 ( -0.356 0.000 14.500) 14.504 6.374 ( -5.142 0.000 -5.028) 7.192 6.447 ( -4.704 0.000 -2.179) 5.184 6.706 ( -6.115 0.000 -2.799) 6.725 6.725 ( -4.980 0.000 -0.882) 5.057 6.823 ( 0.477 0.000 1.259) 1.346 6.881 ( 4.009 0.000 3.400) 5.257 7.156 ( -0.960 0.000 0.648) 1.158 7.218 ( 0.843 0.000 -1.343) 1.586 7.545 ( -10.798 0.000 -3.116) 11.239 7.581 ( -0.799 0.000 -0.510) 0.948 7.623 ( -3.210 0.000 2.787) 4.251 7.676 ( 1.655 0.000 -1.877) 2.502 9.461 ( 1.930 0.000 -1.319) 2.338 9.595 ( 6.505 0.000 0.290) 6.512 9.925 ( 4.678 0.000 1.842) 5.027 9.961 ( 2.698 0.000 4.481) 5.231 9.990 ( 0.112 0.000 -9.994) 9.994 10.016 ( -5.267 0.000 -1.107) 5.382 10.185 ( 4.471 0.000 -0.302) 4.481 10.237 ( 2.589 0.000 2.820) 3.828 10.932 ( -2.224 0.000 3.475) 4.126 11.074 ( -0.882 0.000 -5.379) 5.451 11.566 ( 0.891 0.000 -1.546) 1.785 11.866 ( 8.662 0.000 -4.353) 9.694 18.081 ( 7.100 0.000 1.465) 7.250 18.086 ( 1.108 0.000 -3.161) 3.350 18.464 ( 3.761 0.000 3.293) 4.999 18.611 ( 8.006 0.000 0.143) 8.007 18.867 ( -2.503 0.000 5.375) 5.929 19.216 ( 9.549 0.000 6.636) 11.628 19.541 ( -5.000 0.000 5.843) 7.690 19.845 ( 2.456 0.000 -8.688) 9.028 20.688 ( -1.758 0.000 2.075) 2.720 20.765 ( 1.537 0.000 3.226) 3.574 21.290 ( -0.398 0.000 3.408) 3.431 21.355 ( -2.511 0.000 -5.626) 6.161 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 3.657 0.000 21.583) 21.890 1.542 ( 12.697 0.000 13.080) 18.229 1.819 ( 7.141 0.000 -11.199) 13.282 2.070 ( 4.232 0.000 -13.315) 13.971 2.356 ( 4.302 0.000 6.899) 8.131 2.386 ( 2.653 0.000 -2.360) 3.551 2.559 ( 4.107 0.000 5.936) 7.218 2.589 ( 13.371 0.000 15.697) 20.620 2.808 ( 1.188 0.000 -3.719) 3.905 3.000 ( -3.099 0.000 -2.884) 4.234 3.134 ( 1.980 0.000 3.735) 4.227 3.345 ( 8.139 0.000 -5.361) 9.746 3.608 ( 0.392 0.000 1.902) 1.942 3.774 ( 5.238 0.000 -6.819) 8.598 3.809 ( 2.915 0.000 5.066) 5.845 3.999 ( -2.432 0.000 -6.493) 6.933 4.361 ( -2.633 0.000 -6.060) 6.608 4.363 ( -2.810 0.000 4.751) 5.519 4.859 ( -3.935 0.000 4.593) 6.049 4.922 ( 4.267 0.000 -1.728) 4.603 4.932 ( -10.578 0.000 -0.008) 10.578 5.013 ( -9.085 0.000 -1.224) 9.167 5.040 ( 8.973 0.000 -0.015) 8.973 5.168 ( -1.383 0.000 1.065) 1.746 5.361 ( 1.590 0.000 -1.066) 1.914 5.378 ( -9.283 0.000 11.202) 14.548 5.513 ( -4.390 0.000 1.570) 4.663 5.624 ( -1.242 0.000 -2.920) 3.173 5.659 ( 2.340 0.000 0.913) 2.512 5.758 ( -3.363 0.000 5.737) 6.650 5.907 ( -4.760 0.000 -4.853) 6.798 5.993 ( -4.760 0.000 -0.273) 4.768 6.054 ( -3.034 0.000 -4.084) 5.088 6.138 ( 2.149 0.000 0.877) 2.321 6.226 ( -1.067 0.000 -1.460) 1.808 6.257 ( -5.276 0.000 -3.661) 6.422 6.368 ( -4.009 0.000 1.237) 4.196 6.377 ( 0.742 0.000 10.286) 10.313 6.540 ( -8.340 0.000 -2.810) 8.801 6.619 ( -4.004 0.000 -2.655) 4.804 6.864 ( 2.236 0.000 3.689) 4.314 6.976 ( 4.799 0.000 5.146) 7.036 7.132 ( -1.541 0.000 -0.966) 1.818 7.220 ( -0.543 0.000 -3.409) 3.452 7.374 ( -4.540 0.000 -1.159) 4.686 7.515 ( -5.362 0.000 -1.371) 5.535 7.591 ( 0.720 0.000 1.174) 1.378 7.685 ( -0.508 0.000 -1.682) 1.757 9.526 ( 3.987 0.000 -2.087) 4.500 9.729 ( 6.024 0.000 1.571) 6.225 9.916 ( -4.125 0.000 2.617) 4.885 9.973 ( 1.094 0.000 -0.570) 1.234 10.002 ( 2.843 0.000 -1.879) 3.407 10.059 ( 3.589 0.000 -8.111) 8.870 10.295 ( 3.044 0.000 6.058) 6.780 10.302 ( 6.016 0.000 0.397) 6.029 10.916 ( 1.103 0.000 0.378) 1.166 11.070 ( 0.855 0.000 -4.561) 4.641 11.619 ( 3.480 0.000 -1.538) 3.804 11.936 ( -0.916 0.000 -0.517) 1.052 18.161 ( 6.473 0.000 1.221) 6.587 18.235 ( 6.989 0.000 0.215) 6.992 18.616 ( 8.273 0.000 1.833) 8.473 18.834 ( 13.859 0.000 -1.256) 13.916 18.935 ( 8.929 0.000 5.092) 10.279 19.327 ( -2.430 0.000 6.778) 7.200 19.523 ( 5.656 0.000 9.730) 11.254 19.880 ( 1.624 0.000 -8.042) 8.204 20.666 ( -0.710 0.000 1.541) 1.697 20.792 ( 0.754 0.000 3.517) 3.597 21.279 ( -0.586 0.000 2.370) 2.441 21.304 ( -1.802 0.000 -4.202) 4.572 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 13.050 0.000 12.094) 17.792 1.811 ( 12.279 0.000 7.319) 14.295 1.971 ( 8.039 0.000 -7.617) 11.075 2.198 ( 8.344 0.000 -7.418) 11.164 2.435 ( 1.976 0.000 -1.876) 2.725 2.439 ( 3.320 0.000 5.428) 6.363 2.639 ( 3.559 0.000 3.806) 5.210 2.786 ( -0.901 0.000 0.536) 1.048 2.854 ( 8.921 0.000 11.494) 14.550 2.947 ( -2.133 0.000 -3.434) 4.042 3.228 ( 5.994 0.000 4.387) 7.428 3.467 ( 4.390 0.000 -1.284) 4.574 3.656 ( 4.099 0.000 0.392) 4.118 3.859 ( 2.539 0.000 -5.312) 5.888 3.875 ( 2.169 0.000 3.983) 4.536 3.960 ( -1.289 0.000 -4.121) 4.318 4.324 ( -0.089 0.000 -5.396) 5.397 4.344 ( 0.777 0.000 4.324) 4.393 4.715 ( -10.246 0.000 -0.415) 10.255 4.754 ( -4.948 0.000 4.357) 6.593 4.817 ( -8.509 0.000 2.610) 8.900 4.981 ( 1.057 0.000 -2.363) 2.588 5.135 ( -2.475 0.000 -0.310) 2.494 5.153 ( -2.187 0.000 4.323) 4.845 5.226 ( -3.060 0.000 5.474) 6.271 5.355 ( -4.502 0.000 -1.575) 4.770 5.445 ( 0.530 0.000 -4.706) 4.736 5.620 ( -2.761 0.000 2.171) 3.512 5.664 ( 4.407 0.000 -3.548) 5.658 5.736 ( -0.720 0.000 5.340) 5.388 5.759 ( -6.629 0.000 -5.564) 8.654 5.837 ( -8.837 0.000 2.398) 9.157 6.022 ( -0.977 0.000 -0.211) 0.999 6.140 ( -5.870 0.000 1.203) 5.993 6.159 ( 0.337 0.000 0.802) 0.870 6.241 ( 0.283 0.000 -2.425) 2.441 6.298 ( -2.527 0.000 -0.187) 2.534 6.337 ( -6.172 0.000 -0.603) 6.201 6.451 ( 0.952 0.000 3.974) 4.087 6.573 ( -0.712 0.000 -3.648) 3.717 6.911 ( 2.253 0.000 3.624) 4.267 7.078 ( 4.756 0.000 2.548) 5.396 7.100 ( -1.098 0.000 -1.605) 1.945 7.194 ( -1.429 0.000 -3.081) 3.396 7.356 ( 1.632 0.000 0.171) 1.641 7.411 ( -4.481 0.000 -4.726) 6.512 7.619 ( 1.523 0.000 2.934) 3.306 7.663 ( -1.196 0.000 -1.587) 1.987 9.606 ( 3.817 0.000 -1.957) 4.289 9.785 ( -1.774 0.000 4.028) 4.401 9.898 ( 3.129 0.000 2.303) 3.885 10.010 ( 2.360 0.000 -1.173) 2.636 10.043 ( 1.421 0.000 -2.469) 2.848 10.093 ( 0.305 0.000 -6.538) 6.545 10.374 ( 4.228 0.000 4.072) 5.870 10.412 ( 4.747 0.000 -0.667) 4.794 10.971 ( 3.711 0.000 -0.192) 3.715 11.094 ( 1.364 0.000 -2.668) 2.996 11.685 ( 2.943 0.000 -1.479) 3.293 11.875 ( -4.164 0.000 3.549) 5.471 18.311 ( 7.027 0.000 0.796) 7.072 18.349 ( 4.362 0.000 -0.444) 4.385 18.756 ( 5.942 0.000 0.711) 5.984 19.137 ( 13.161 0.000 -0.131) 13.161 19.195 ( 14.008 0.000 4.570) 14.734 19.224 ( -4.447 0.000 2.932) 5.327 19.679 ( 6.954 0.000 10.819) 12.861 19.907 ( 1.554 0.000 -7.699) 7.855 20.658 ( -0.032 0.000 1.414) 1.414 20.797 ( -0.489 0.000 2.424) 2.473 21.278 ( 0.448 0.000 1.624) 1.684 21.287 ( 0.361 0.000 -2.865) 2.887 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 13.003 0.000 4.450) 13.743 2.023 ( 7.602 0.000 3.797) 8.497 2.124 ( 7.149 0.000 -4.156) 8.269 2.346 ( 3.997 0.000 -1.510) 4.273 2.470 ( 2.424 0.000 -2.542) 3.513 2.488 ( 0.919 0.000 4.637) 4.727 2.709 ( 3.096 0.000 0.009) 3.096 2.756 ( -1.444 0.000 1.120) 1.828 2.914 ( -0.011 0.000 -2.312) 2.312 2.966 ( 0.296 0.000 8.740) 8.745 3.346 ( 5.456 0.000 4.590) 7.130 3.526 ( 1.110 0.000 0.068) 1.112 3.745 ( 3.689 0.000 0.811) 3.777 3.869 ( -0.313 0.000 -1.047) 1.093 3.885 ( -1.036 0.000 3.599) 3.745 3.926 ( -2.128 0.000 -3.780) 4.338 4.351 ( 2.249 0.000 -4.229) 4.790 4.385 ( 2.006 0.000 4.294) 4.739 4.540 ( -5.483 0.000 -1.638) 5.723 4.673 ( -5.963 0.000 3.487) 6.908 4.739 ( 3.881 0.000 3.749) 5.396 4.982 ( -0.211 0.000 -3.291) 3.298 5.055 ( -4.760 0.000 6.376) 7.957 5.093 ( -0.939 0.000 -2.338) 2.520 5.144 ( -6.464 0.000 4.520) 7.887 5.216 ( -7.596 0.000 -4.680) 8.922 5.497 ( 3.924 0.000 -7.406) 8.381 5.613 ( -3.491 0.000 2.853) 4.509 5.625 ( -3.477 0.000 1.479) 3.778 5.672 ( -3.004 0.000 -3.561) 4.659 5.725 ( -0.511 0.000 7.492) 7.509 5.804 ( 5.650 0.000 -5.485) 7.874 6.006 ( -0.496 0.000 4.298) 4.326 6.060 ( -1.105 0.000 0.136) 1.113 6.143 ( -3.416 0.000 0.007) 3.416 6.186 ( -3.308 0.000 3.744) 4.997 6.256 ( -1.681 0.000 -3.326) 3.727 6.260 ( -1.354 0.000 -1.831) 2.278 6.483 ( 1.277 0.000 1.182) 1.740 6.567 ( 0.153 0.000 -3.888) 3.891 6.962 ( 2.439 0.000 3.365) 4.156 7.091 ( 0.195 0.000 0.473) 0.511 7.121 ( -1.230 0.000 -5.245) 5.387 7.216 ( 4.197 0.000 3.500) 5.465 7.324 ( -3.773 0.000 -6.254) 7.304 7.390 ( 0.685 0.000 -0.721) 0.994 7.644 ( 0.428 0.000 3.519) 3.545 7.654 ( 0.781 0.000 -1.752) 1.918 9.675 ( 3.054 0.000 -1.286) 3.314 9.730 ( -3.109 0.000 4.705) 5.639 9.968 ( 2.514 0.000 3.493) 4.304 10.056 ( 1.951 0.000 -2.068) 2.843 10.061 ( 0.613 0.000 -2.892) 2.956 10.077 ( -1.328 0.000 -2.850) 3.144 10.457 ( 3.469 0.000 0.028) 3.469 10.493 ( 3.250 0.000 -2.739) 4.250 11.044 ( 2.973 0.000 0.560) 3.026 11.110 ( 0.071 0.000 -0.446) 0.452 11.737 ( 2.395 0.000 -1.377) 2.763 11.794 ( -3.779 0.000 4.587) 5.943 18.417 ( 2.408 0.000 -0.533) 2.467 18.419 ( 3.426 0.000 -0.343) 3.443 18.881 ( 6.531 0.000 -0.908) 6.594 19.078 ( -6.391 0.000 5.433) 8.388 19.422 ( 10.866 0.000 -4.814) 11.885 19.427 ( 7.073 0.000 5.275) 8.823 19.792 ( 3.214 0.000 9.606) 10.129 19.941 ( 2.486 0.000 -8.226) 8.594 20.672 ( 1.342 0.000 1.759) 2.212 20.777 ( -1.385 0.000 0.520) 1.479 21.293 ( 0.641 0.000 1.353) 1.497 21.306 ( 1.319 0.000 -1.837) 2.261 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -0.955 0.000 3.468) 3.597 2.148 ( 0.316 0.000 -0.536) 0.622 2.278 ( 7.306 0.000 -0.335) 7.314 2.315 ( -5.464 0.000 -3.487) 6.482 2.472 ( -2.738 0.000 4.576) 5.333 2.523 ( 1.518 0.000 0.108) 1.522 2.725 ( -2.101 0.000 1.976) 2.884 2.749 ( 0.904 0.000 -0.558) 1.062 2.906 ( -3.986 0.000 4.934) 6.343 2.987 ( 6.477 0.000 -2.136) 6.820 3.461 ( 4.779 0.000 3.070) 5.680 3.502 ( -3.049 0.000 -0.892) 3.177 3.794 ( 1.487 0.000 4.116) 4.376 3.855 ( -2.208 0.000 3.179) 3.871 3.864 ( -3.056 0.000 -2.790) 4.138 3.887 ( 1.562 0.000 -0.259) 1.583 4.344 ( -4.833 0.000 3.047) 5.714 4.400 ( 3.387 0.000 -1.983) 3.925 4.561 ( -5.249 0.000 1.574) 5.480 4.576 ( 6.826 0.000 0.148) 6.828 4.870 ( 6.364 0.000 2.126) 6.709 4.958 ( -4.766 0.000 -7.092) 8.545 5.000 ( 0.555 0.000 4.668) 4.701 5.038 ( -2.920 0.000 4.205) 5.120 5.082 ( 1.622 0.000 -1.671) 2.329 5.135 ( 1.955 0.000 -5.262) 5.614 5.462 ( -7.804 0.000 6.302) 10.031 5.554 ( 1.519 0.000 0.442) 1.582 5.623 ( 2.934 0.000 -2.188) 3.660 5.647 ( -1.305 0.000 -0.432) 1.374 5.755 ( 0.685 0.000 1.368) 1.530 5.875 ( 2.430 0.000 -7.974) 8.336 6.022 ( 1.399 0.000 9.392) 9.495 6.044 ( -4.020 0.000 3.113) 5.084 6.091 ( 3.274 0.000 -2.531) 4.138 6.161 ( -0.877 0.000 -1.725) 1.936 6.225 ( -0.764 0.000 -0.182) 0.786 6.238 ( -0.424 0.000 -1.748) 1.798 6.499 ( 0.346 0.000 0.584) 0.679 6.571 ( 0.446 0.000 -4.425) 4.447 7.003 ( 1.176 0.000 2.442) 2.710 7.078 ( -2.284 0.000 -3.421) 4.114 7.114 ( 2.139 0.000 4.183) 4.699 7.237 ( -3.503 0.000 -7.112) 7.928 7.319 ( 4.227 0.000 1.847) 4.613 7.373 ( -1.849 0.000 -2.705) 3.277 7.635 ( -1.410 0.000 3.468) 3.744 7.685 ( 1.727 0.000 -2.201) 2.798 9.670 ( -3.049 0.000 4.532) 5.462 9.729 ( 2.310 0.000 -0.219) 2.321 9.991 ( -0.557 0.000 5.727) 5.754 10.039 ( -2.288 0.000 -0.175) 2.294 10.069 ( 0.447 0.000 -3.801) 3.827 10.084 ( 0.922 0.000 -3.176) 3.307 10.507 ( 1.486 0.000 -2.941) 3.295 10.539 ( 1.490 0.000 -4.829) 5.053 11.083 ( 0.650 0.000 1.559) 1.689 11.090 ( -2.166 0.000 1.490) 2.629 11.730 ( -2.801 0.000 4.171) 5.024 11.786 ( 2.561 0.000 -0.909) 2.717 18.445 ( 0.213 0.000 -0.183) 0.281 18.454 ( 0.208 0.000 -1.566) 1.580 18.962 ( -5.192 0.000 2.916) 5.955 19.022 ( 7.342 0.000 -2.243) 7.677 19.467 ( -3.139 0.000 5.086) 5.976 19.570 ( 3.309 0.000 -4.511) 5.595 19.816 ( -0.986 0.000 7.698) 7.761 19.992 ( 2.360 0.000 -8.558) 8.878 20.714 ( 2.682 0.000 1.470) 3.058 20.746 ( -1.639 0.000 -1.042) 1.942 21.294 ( -0.840 0.000 1.462) 1.686 21.325 ( 0.456 0.000 -1.220) 1.303 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -8.691 0.000 4.725) 9.892 2.041 ( -9.671 0.000 3.302) 10.219 2.168 ( -7.797 0.000 -7.989) 11.163 2.312 ( -5.794 0.000 0.866) 5.859 2.428 ( -0.318 0.000 0.323) 0.453 2.526 ( -0.912 0.000 0.973) 1.334 2.682 ( -1.268 0.000 2.628) 2.918 2.758 ( -0.131 0.000 0.636) 0.649 2.876 ( 0.279 0.000 2.085) 2.103 3.075 ( 0.524 0.000 -0.808) 0.963 3.429 ( -4.027 0.000 -2.948) 4.991 3.502 ( -1.375 0.000 2.310) 2.689 3.784 ( -3.892 0.000 -3.301) 5.103 3.790 ( -4.113 0.000 7.106) 8.211 3.834 ( 1.588 0.000 4.592) 4.859 3.934 ( 2.163 0.000 -1.393) 2.573 4.258 ( -3.145 0.000 3.649) 4.818 4.472 ( -1.905 0.000 -2.844) 3.423 4.517 ( 6.988 0.000 0.153) 6.989 4.713 ( 5.737 0.000 0.025) 5.737 4.841 ( -3.464 0.000 -6.469) 7.339 4.933 ( 1.524 0.000 3.391) 3.718 5.048 ( 3.485 0.000 0.764) 3.568 5.122 ( 8.113 0.000 3.462) 8.820 5.160 ( 3.972 0.000 -1.911) 4.408 5.224 ( 6.283 0.000 -4.329) 7.630 5.356 ( -1.650 0.000 5.267) 5.519 5.585 ( 1.231 0.000 2.769) 3.030 5.624 ( -1.341 0.000 2.703) 3.017 5.689 ( 3.964 0.000 -3.267) 5.137 5.700 ( -5.178 0.000 2.258) 5.649 5.932 ( 3.296 0.000 -10.568) 11.070 6.020 ( 1.196 0.000 -0.089) 1.199 6.059 ( 1.715 0.000 9.579) 9.731 6.127 ( -1.907 0.000 0.066) 1.908 6.143 ( 1.598 0.000 -0.300) 1.626 6.248 ( 2.741 0.000 -0.416) 2.772 6.260 ( 2.910 0.000 -1.183) 3.141 6.503 ( 0.042 0.000 0.744) 0.745 6.579 ( 0.647 0.000 -5.352) 5.391 7.018 ( 0.528 0.000 3.364) 3.405 7.029 ( -2.267 0.000 -1.627) 2.790 7.161 ( -3.271 0.000 -6.377) 7.167 7.173 ( 2.747 0.000 4.731) 5.471 7.333 ( -1.166 0.000 -3.928) 4.097 7.389 ( 2.010 0.000 -1.202) 2.342 7.602 ( -1.485 0.000 4.326) 4.574 7.702 ( -0.055 0.000 -2.955) 2.955 9.609 ( -3.275 0.000 4.103) 5.250 9.768 ( 1.379 0.000 1.479) 2.022 9.958 ( -2.883 0.000 6.882) 7.462 9.981 ( -3.431 0.000 1.036) 3.584 10.073 ( 0.217 0.000 -3.724) 3.730 10.093 ( 0.380 0.000 -4.631) 4.647 10.512 ( -0.856 0.000 -4.721) 4.798 10.547 ( -0.418 0.000 -6.495) 6.508 11.024 ( -4.316 0.000 3.036) 5.277 11.071 ( -1.835 0.000 2.679) 3.247 11.681 ( -2.381 0.000 3.656) 4.363 11.841 ( 2.722 0.000 0.132) 2.725 18.417 ( -3.174 0.000 0.383) 3.197 18.434 ( -1.860 0.000 -2.642) 3.231 18.873 ( -3.617 0.000 -0.386) 3.637 19.171 ( 7.104 0.000 -2.632) 7.575 19.333 ( -9.467 0.000 3.664) 10.151 19.513 ( -8.804 0.000 -1.979) 9.024 19.803 ( -0.029 0.000 3.943) 3.943 20.000 ( -1.368 0.000 -9.664) 9.761 20.712 ( -1.471 0.000 -1.645) 2.207 20.778 ( 3.395 0.000 0.122) 3.397 21.262 ( -2.168 0.000 2.014) 2.959 21.322 ( -0.508 0.000 -1.171) 1.276 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -11.977 0.000 7.990) 14.398 1.822 ( -10.865 0.000 8.939) 14.069 2.027 ( -4.300 0.000 -14.919) 15.526 2.123 ( -11.180 0.000 -3.798) 11.808 2.397 ( -3.240 0.000 1.682) 3.650 2.493 ( -2.324 0.000 0.243) 2.337 2.681 ( 0.439 0.000 0.647) 0.782 2.736 ( -2.282 0.000 4.027) 4.629 2.886 ( 0.312 0.000 2.938) 2.955 3.016 ( -5.416 0.000 -2.818) 6.105 3.309 ( -7.228 0.000 -3.020) 7.834 3.406 ( -8.461 0.000 5.272) 9.969 3.698 ( -4.453 0.000 8.445) 9.547 3.720 ( -2.056 0.000 -5.581) 5.947 3.852 ( -0.463 0.000 6.164) 6.181 3.952 ( -0.413 0.000 -3.451) 3.476 4.232 ( 0.267 0.000 2.996) 3.008 4.448 ( 0.297 0.000 -4.965) 4.974 4.696 ( 9.422 0.000 -0.020) 9.422 4.823 ( 5.491 0.000 2.641) 6.093 4.862 ( 5.526 0.000 -4.884) 7.375 4.952 ( 0.017 0.000 0.827) 0.827 5.135 ( 4.094 0.000 -0.114) 4.095 5.174 ( -3.498 0.000 0.226) 3.505 5.282 ( 7.015 0.000 4.967) 8.596 5.378 ( 8.894 0.000 -5.347) 10.378 5.397 ( 2.738 0.000 -0.449) 2.774 5.540 ( -4.138 0.000 5.891) 7.199 5.622 ( 2.776 0.000 0.333) 2.796 5.686 ( 4.091 0.000 1.850) 4.489 5.786 ( 5.045 0.000 -1.467) 5.254 5.944 ( -1.553 0.000 -2.407) 2.864 6.050 ( 0.409 0.000 -1.109) 1.182 6.111 ( 1.158 0.000 3.381) 3.574 6.123 ( 3.105 0.000 3.079) 4.373 6.178 ( 2.507 0.000 -1.822) 3.099 6.307 ( 2.249 0.000 0.945) 2.439 6.345 ( 5.461 0.000 0.168) 5.464 6.512 ( 1.274 0.000 0.521) 1.377 6.595 ( 1.514 0.000 -7.130) 7.289 6.992 ( -1.139 0.000 -1.766) 2.101 7.039 ( 1.369 0.000 3.839) 4.076 7.100 ( -2.238 0.000 -3.244) 3.941 7.194 ( -0.975 0.000 -0.990) 1.389 7.367 ( 5.101 0.000 -0.574) 5.133 7.389 ( -1.270 0.000 -3.638) 3.854 7.601 ( 0.961 0.000 5.385) 5.470 7.680 ( -1.745 0.000 -3.543) 3.949 9.542 ( -3.447 0.000 3.380) 4.827 9.779 ( -0.971 0.000 3.754) 3.878 9.890 ( -3.975 0.000 7.611) 8.587 9.907 ( -3.556 0.000 0.527) 3.595 10.073 ( -0.015 0.000 -3.533) 3.533 10.100 ( 0.709 0.000 -5.889) 5.931 10.465 ( -3.471 0.000 -5.458) 6.468 10.516 ( -2.155 0.000 -7.652) 7.949 10.931 ( -4.360 0.000 4.116) 5.996 11.018 ( -3.343 0.000 4.186) 5.357 11.631 ( -2.940 0.000 3.435) 4.522 11.887 ( 1.423 0.000 1.947) 2.411 18.314 ( -6.848 0.000 0.610) 6.876 18.377 ( -3.599 0.000 -3.530) 5.041 18.804 ( -3.648 0.000 -3.357) 4.958 19.074 ( -13.587 0.000 3.375) 14.000 19.261 ( -14.121 0.000 -1.112) 14.165 19.336 ( 7.196 0.000 -4.447) 8.459 19.801 ( -0.801 0.000 2.084) 2.233 19.924 ( -5.232 0.000 -11.844) 12.948 20.688 ( -0.684 0.000 -1.123) 1.315 20.841 ( 2.386 0.000 -1.883) 3.039 21.223 ( -1.397 0.000 2.783) 3.113 21.315 ( 0.230 0.000 -1.692) 1.707 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -12.095 0.000 12.695) 17.534 1.645 ( -6.665 0.000 13.646) 15.187 1.888 ( -10.833 0.000 -7.142) 12.975 2.007 ( 3.683 0.000 -21.071) 21.391 2.323 ( -3.305 0.000 3.553) 4.852 2.429 ( -3.911 0.000 -0.728) 3.978 2.657 ( -3.783 0.000 -1.499) 4.069 2.671 ( -4.667 0.000 6.126) 7.701 2.864 ( -8.289 0.000 -7.218) 10.991 2.910 ( 2.044 0.000 5.931) 6.274 3.170 ( -13.957 0.000 11.178) 17.882 3.190 ( -3.266 0.000 -1.805) 3.731 3.643 ( -1.653 0.000 4.222) 4.534 3.688 ( -1.042 0.000 -5.445) 5.544 3.841 ( 0.002 0.000 8.037) 8.037 3.935 ( 0.258 0.000 -6.775) 6.780 4.268 ( 3.004 0.000 2.866) 4.152 4.483 ( 3.083 0.000 -6.395) 7.099 4.877 ( 7.804 0.000 0.084) 7.805 4.881 ( -3.997 0.000 2.656) 4.799 4.975 ( 4.704 0.000 2.022) 5.120 4.996 ( 2.872 0.000 -3.574) 4.584 5.051 ( -3.361 0.000 -0.858) 3.469 5.173 ( -0.045 0.000 0.805) 0.806 5.348 ( 0.385 0.000 1.645) 1.690 5.467 ( 6.272 0.000 4.337) 7.626 5.542 ( 5.861 0.000 -1.692) 6.101 5.578 ( 4.759 0.000 1.238) 4.917 5.656 ( -0.916 0.000 0.787) 1.207 5.825 ( 8.104 0.000 1.143) 8.184 5.859 ( 2.642 0.000 -5.618) 6.208 5.938 ( 1.614 0.000 2.728) 3.170 6.027 ( -2.158 0.000 1.425) 2.586 6.115 ( -3.186 0.000 2.302) 3.931 6.165 ( 2.660 0.000 3.473) 4.375 6.264 ( 4.999 0.000 -1.605) 5.250 6.333 ( 1.072 0.000 5.259) 5.367 6.480 ( 7.231 0.000 -0.042) 7.231 6.566 ( 3.711 0.000 1.036) 3.854 6.641 ( 3.301 0.000 -11.521) 11.985 6.965 ( -1.800 0.000 -4.900) 5.220 7.064 ( 0.192 0.000 -0.346) 0.396 7.090 ( 1.714 0.000 2.630) 3.139 7.168 ( -0.717 0.000 -1.564) 1.721 7.380 ( 1.798 0.000 -2.614) 3.173 7.502 ( 6.429 0.000 0.479) 6.446 7.625 ( 0.604 0.000 4.745) 4.783 7.652 ( 0.665 0.000 -4.827) 4.873 9.478 ( -2.775 0.000 1.988) 3.413 9.712 ( -5.623 0.000 2.935) 6.342 9.817 ( -3.272 0.000 8.357) 8.975 9.860 ( -1.033 0.000 2.277) 2.500 10.068 ( -0.257 0.000 -3.951) 3.959 10.117 ( 1.327 0.000 -6.735) 6.864 10.360 ( -6.549 0.000 -5.098) 8.300 10.447 ( -4.272 0.000 -7.729) 8.831 10.888 ( 0.814 0.000 3.660) 3.749 10.958 ( -2.287 0.000 5.867) 6.297 11.563 ( -3.742 0.000 3.543) 5.153 11.882 ( -2.577 0.000 4.052) 4.803 18.157 ( -7.930 0.000 0.900) 7.981 18.279 ( -5.774 0.000 -4.413) 7.267 18.688 ( -7.979 0.000 -4.039) 8.943 18.803 ( -11.957 0.000 1.387) 12.038 19.021 ( -7.456 0.000 -2.568) 7.886 19.461 ( 4.191 0.000 -5.317) 6.770 19.771 ( -2.173 0.000 2.271) 3.143 19.781 ( -7.372 0.000 -13.845) 15.686 20.684 ( 0.319 0.000 -0.052) 0.323 20.857 ( -0.824 0.000 -2.684) 2.808 21.218 ( 0.735 0.000 3.476) 3.553 21.339 ( 2.198 0.000 -3.221) 3.900 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -8.622 0.000 17.425) 19.442 1.583 ( -0.226 0.000 16.818) 16.820 1.697 ( -7.037 0.000 -8.090) 10.722 2.121 ( 6.751 0.000 -22.694) 23.677 2.290 ( -0.128 0.000 4.016) 4.018 2.347 ( -3.491 0.000 0.331) 3.507 2.518 ( -9.985 0.000 5.011) 11.171 2.527 ( -8.782 0.000 0.377) 8.790 2.769 ( 0.974 0.000 -7.892) 7.952 2.836 ( -10.622 0.000 10.758) 15.118 3.042 ( 3.038 0.000 4.488) 5.420 3.159 ( -0.620 0.000 0.467) 0.776 3.611 ( -1.682 0.000 1.742) 2.422 3.662 ( -1.110 0.000 -4.492) 4.627 3.890 ( 3.792 0.000 7.549) 8.448 3.988 ( 5.173 0.000 -9.041) 10.416 4.345 ( 3.703 0.000 2.620) 4.536 4.529 ( 0.454 0.000 -5.870) 5.887 4.736 ( -7.297 0.000 2.621) 7.753 4.837 ( -7.308 0.000 -1.836) 7.535 5.026 ( 5.393 0.000 -1.982) 5.746 5.046 ( 0.224 0.000 4.605) 4.611 5.181 ( 7.937 0.000 -2.894) 8.448 5.193 ( 1.909 0.000 4.804) 5.169 5.377 ( 2.674 0.000 0.807) 2.793 5.525 ( -5.809 0.000 -0.353) 5.819 5.615 ( 5.809 0.000 -0.291) 5.816 5.639 ( -1.661 0.000 4.445) 4.745 5.641 ( 2.337 0.000 0.944) 2.520 5.895 ( -0.579 0.000 -3.865) 3.908 5.940 ( 0.071 0.000 7.012) 7.013 5.980 ( 2.303 0.000 -0.819) 2.444 6.011 ( 3.113 0.000 -3.246) 4.498 6.044 ( -2.116 0.000 0.186) 2.124 6.209 ( 2.156 0.000 8.736) 8.998 6.360 ( 4.078 0.000 1.274) 4.272 6.386 ( 3.003 0.000 4.521) 5.427 6.617 ( 5.974 0.000 1.643) 6.196 6.644 ( 3.489 0.000 4.127) 5.404 6.671 ( -0.741 0.000 -14.005) 14.025 6.921 ( -1.967 0.000 -5.774) 6.100 7.024 ( -3.837 0.000 -7.050) 8.026 7.144 ( 2.636 0.000 2.594) 3.698 7.169 ( 0.369 0.000 1.735) 1.773 7.484 ( 7.677 0.000 0.879) 7.727 7.572 ( 2.000 0.000 0.133) 2.004 7.625 ( -0.715 0.000 3.481) 3.554 7.733 ( 4.773 0.000 -6.542) 8.098 9.445 ( -0.153 0.000 0.080) 0.173 9.580 ( -6.786 0.000 1.326) 6.915 9.783 ( -0.219 0.000 8.401) 8.404 9.857 ( 0.498 0.000 3.823) 3.855 10.062 ( 0.128 0.000 -4.714) 4.715 10.142 ( 1.333 0.000 -6.879) 7.007 10.207 ( -7.393 0.000 -3.434) 8.151 10.331 ( -6.574 0.000 -5.625) 8.652 10.944 ( 0.460 0.000 6.713) 6.728 10.983 ( 7.463 0.000 -0.839) 7.510 11.508 ( -0.559 0.000 3.959) 3.999 11.778 ( -7.565 0.000 4.092) 8.601 18.022 ( -4.733 0.000 2.180) 5.211 18.153 ( -5.487 0.000 -5.479) 7.754 18.528 ( -5.389 0.000 -2.518) 5.948 18.613 ( -6.923 0.000 -0.330) 6.931 18.960 ( 0.843 0.000 -3.195) 3.305 19.376 ( -13.360 0.000 -8.246) 15.700 19.714 ( 2.677 0.000 -10.148) 10.495 19.717 ( -3.278 0.000 3.303) 4.653 20.700 ( 1.153 0.000 1.002) 1.527 20.810 ( -3.350 0.000 -0.897) 3.468 21.249 ( 1.794 0.000 3.972) 4.359 21.384 ( 1.944 0.000 -5.455) 5.791 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -1.712 18.050 17.089) 24.915 1.684 ( 0.040 6.525 24.597) 25.448 1.777 ( 0.654 14.568 -13.238) 19.695 2.133 ( -4.863 -1.914 -8.280) 9.791 2.243 ( 2.701 -2.633 -0.516) 3.808 2.298 ( -5.479 -1.328 8.854) 10.496 2.353 ( -6.721 -2.318 5.633) 9.071 2.396 ( 3.620 2.648 -1.748) 4.814 2.684 ( -2.241 -2.856 -0.902) 3.741 2.866 ( 10.329 -0.988 -11.166) 15.242 3.079 ( -2.534 -3.664 6.277) 7.697 3.175 ( 2.856 1.336 -2.489) 4.017 3.594 ( -0.171 0.614 2.542) 2.621 3.676 ( 0.703 1.689 -4.685) 5.030 3.844 ( -1.138 -6.670 4.455) 8.101 3.992 ( 2.179 -7.812 -8.857) 12.010 4.458 ( -0.067 5.575 2.764) 6.223 4.519 ( -0.467 5.095 -3.055) 5.959 4.773 ( 2.258 5.688 1.737) 6.362 4.819 ( -1.126 5.818 -2.468) 6.419 4.986 ( -3.096 -1.023 4.820) 5.819 5.094 ( 2.881 -3.193 -4.819) 6.459 5.174 ( -1.651 -3.754 5.887) 7.174 5.263 ( 2.209 -3.764 -2.049) 4.821 5.400 ( 0.914 -0.828 1.203) 1.723 5.419 ( -3.301 0.535 -0.517) 3.383 5.577 ( -2.801 1.687 5.598) 6.483 5.660 ( 1.676 -0.438 -2.034) 2.672 5.779 ( 1.199 3.286 6.166) 7.090 5.862 ( -3.148 1.055 0.210) 3.327 5.937 ( -1.627 1.492 5.193) 5.643 5.960 ( -0.104 1.586 2.366) 2.850 6.059 ( 2.677 -1.387 -3.773) 4.829 6.087 ( 2.359 -0.919 -6.217) 6.713 6.260 ( 2.906 -1.499 8.273) 8.896 6.355 ( -3.696 -5.059 1.483) 6.438 6.399 ( 0.910 -1.162 1.415) 2.045 6.515 ( 0.372 -4.745 -6.432) 8.001 6.685 ( 1.627 -2.133 5.936) 6.514 6.748 ( -1.804 0.710 0.828) 2.107 6.912 ( 0.221 4.082 -4.135) 5.815 6.930 ( -4.046 2.766 -5.805) 7.597 7.212 ( 1.513 1.115 1.733) 2.557 7.236 ( -1.741 3.208 -1.249) 3.858 7.569 ( 0.076 -1.197 0.217) 1.219 7.574 ( 2.410 -0.681 -0.684) 2.596 7.700 ( 2.168 3.961 3.405) 5.656 7.790 ( -4.153 3.640 -4.293) 6.995 9.486 ( -2.892 1.503 -0.314) 3.275 9.492 ( 4.376 0.851 -0.585) 4.496 9.789 ( 4.850 -2.771 4.558) 7.209 9.898 ( -1.268 -1.671 -3.266) 3.882 9.984 ( -1.849 -2.463 2.710) 4.103 10.093 ( 0.014 -0.356 -3.685) 3.702 10.185 ( 0.887 0.472 -1.791) 2.054 10.219 ( -4.877 1.359 -3.416) 6.108 10.972 ( 0.264 1.219 5.811) 5.943 11.083 ( 1.766 -0.592 -4.595) 4.958 11.585 ( 6.116 -3.167 1.497) 7.048 11.599 ( -2.235 -2.385 0.141) 3.271 17.975 ( 1.161 -0.956 2.395) 2.828 18.054 ( -1.473 -2.782 -4.973) 5.885 18.450 ( -3.564 -3.294 1.380) 5.045 18.474 ( 2.055 -2.369 -0.800) 3.237 19.039 ( -1.275 2.778 4.449) 5.398 19.129 ( -5.097 4.275 -4.123) 7.826 19.619 ( -4.085 -1.674 2.040) 4.863 19.735 ( 3.058 -4.516 -8.646) 10.222 20.784 ( 1.214 4.611 1.943) 5.149 20.794 ( -2.505 4.625 1.012) 5.356 21.291 ( 0.554 0.893 3.182) 3.351 21.384 ( -0.705 -1.097 -5.441) 5.595 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 6.252 16.278 16.154) 23.770 1.624 ( -5.880 7.771 25.906) 27.678 1.840 ( 4.961 12.726 -11.810) 18.057 2.059 ( -1.102 0.153 -10.436) 10.495 2.254 ( -0.016 -0.034 7.367) 7.367 2.289 ( 0.795 -6.098 3.717) 7.185 2.330 ( 7.207 -1.594 6.445) 9.799 2.498 ( 5.529 3.153 4.579) 7.841 2.707 ( 3.740 -4.221 -6.866) 8.885 3.006 ( -1.745 -5.665 3.054) 6.669 3.117 ( 10.915 -1.338 -8.252) 13.749 3.203 ( -0.251 3.506 -2.083) 4.086 3.607 ( 1.130 0.220 1.661) 2.021 3.698 ( 0.774 -0.459 -1.633) 1.864 3.791 ( -1.647 -1.205 1.765) 2.698 3.992 ( -1.191 -6.189 -9.036) 11.016 4.432 ( -2.673 2.729 1.131) 3.984 4.473 ( -3.615 4.554 -1.537) 6.014 4.823 ( 3.256 0.842 -0.024) 3.364 4.900 ( 2.795 5.942 0.912) 6.630 4.929 ( 1.869 -0.525 1.094) 2.229 5.079 ( -6.131 -3.973 1.879) 7.544 5.146 ( -0.730 0.124 -2.567) 2.671 5.252 ( -2.194 1.570 0.235) 2.708 5.342 ( -2.887 -1.501 1.814) 3.726 5.429 ( 1.283 -1.366 4.318) 4.707 5.582 ( 1.332 1.875 3.604) 4.275 5.633 ( -4.590 -1.337 2.791) 5.536 5.738 ( -4.307 0.426 0.392) 4.346 5.805 ( -2.000 2.805 2.945) 4.532 5.916 ( -0.444 -1.184 4.365) 4.544 5.992 ( 1.676 1.369 -2.576) 3.365 6.090 ( 1.249 -0.542 -1.664) 2.150 6.096 ( -1.962 -3.383 -6.290) 7.406 6.256 ( -4.653 -4.550 1.880) 6.774 6.301 ( 0.051 -3.138 6.290) 7.030 6.390 ( -1.522 0.243 -0.722) 1.702 6.484 ( -2.601 1.859 -4.421) 5.456 6.662 ( -3.205 -1.610 4.123) 5.465 6.734 ( -3.086 -0.953 -0.207) 3.237 6.837 ( -1.553 2.455 0.923) 3.048 6.941 ( 1.823 5.158 -1.028) 5.566 7.183 ( -2.892 1.041 -0.506) 3.115 7.233 ( 0.356 0.722 0.548) 0.974 7.534 ( -4.187 1.885 -1.993) 5.005 7.601 ( -1.235 -1.228 -0.409) 1.789 7.642 ( -6.549 3.066 -1.870) 7.469 7.694 ( -1.745 1.366 1.974) 2.968 9.469 ( 1.183 1.105 -1.791) 2.414 9.611 ( 6.756 1.153 -0.666) 6.886 9.856 ( -1.117 -6.444 -6.454) 9.188 9.917 ( 5.361 -2.555 3.506) 6.897 9.982 ( 0.891 2.175 5.074) 5.592 10.104 ( -1.005 3.823 -5.430) 6.717 10.152 ( 2.629 -2.256 -1.343) 3.715 10.240 ( 2.761 -0.435 3.483) 4.466 10.954 ( -1.571 2.189 2.573) 3.726 11.077 ( -0.701 0.087 -5.143) 5.192 11.561 ( 1.556 -0.279 -1.040) 1.892 11.789 ( 7.941 -6.960 -1.992) 10.746 18.038 ( 2.949 -2.336 0.553) 3.803 18.082 ( 6.600 -1.439 -0.909) 6.815 18.468 ( 6.218 0.756 1.761) 6.506 18.603 ( 9.224 -1.418 -0.026) 9.332 18.927 ( -3.486 5.706 5.096) 8.407 19.214 ( 6.698 -0.583 5.497) 8.684 19.534 ( -3.930 -0.182 3.486) 5.256 19.783 ( 2.129 -5.594 -7.875) 9.891 20.746 ( -2.068 5.048 1.838) 5.756 20.807 ( 0.731 3.464 2.653) 4.424 21.292 ( -0.572 0.241 2.862) 2.929 21.348 ( -2.212 -0.741 -4.326) 4.915 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.431 6.230 21.961) 22.872 1.706 ( 11.755 13.270 11.837) 21.317 1.939 ( 5.123 10.725 -9.650) 15.310 2.086 ( 3.970 1.045 -7.819) 8.831 2.269 ( 2.169 -7.359 -0.019) 7.672 2.353 ( 4.227 -1.161 4.720) 6.442 2.520 ( 8.031 -2.558 4.818) 9.708 2.647 ( 9.659 3.618 12.066) 15.874 2.781 ( 2.784 -2.654 -6.024) 7.147 2.975 ( -1.005 -3.242 -0.642) 3.454 3.184 ( 0.127 3.654 0.355) 3.673 3.322 ( 8.720 -1.865 -4.028) 9.784 3.617 ( 0.075 0.640 2.091) 2.188 3.726 ( 3.435 -3.898 2.935) 5.967 3.834 ( 3.887 1.775 -4.354) 6.101 3.964 ( -0.501 -2.923 -7.221) 7.806 4.365 ( -3.381 1.054 -2.811) 4.521 4.390 ( -3.585 2.443 1.681) 4.652 4.836 ( -4.883 -2.955 3.052) 6.472 4.879 ( -1.934 -4.095 -0.072) 4.529 4.945 ( -4.392 1.439 1.417) 4.834 4.992 ( -4.382 0.991 -0.053) 4.493 5.107 ( 1.175 3.745 -0.137) 3.927 5.234 ( 0.944 6.191 -0.450) 6.279 5.331 ( -0.635 -2.223 0.670) 2.407 5.390 ( -4.654 0.744 6.711) 8.201 5.499 ( -6.009 -1.210 0.578) 6.157 5.603 ( -0.455 -1.576 -0.915) 1.879 5.688 ( -1.518 -3.602 3.780) 5.438 5.744 ( -2.738 5.196 2.810) 6.511 5.915 ( -2.223 0.104 -0.905) 2.402 5.961 ( -3.957 -2.931 -3.232) 5.890 6.029 ( -2.068 -1.620 -3.761) 4.587 6.124 ( 1.711 -1.056 0.731) 2.140 6.196 ( -1.143 -2.875 -1.565) 3.467 6.268 ( -3.702 -4.031 5.445) 7.720 6.349 ( -2.229 2.278 1.084) 3.367 6.428 ( -2.464 5.283 -3.303) 6.700 6.571 ( -5.745 1.762 0.026) 6.009 6.628 ( -4.379 1.184 1.447) 4.761 6.864 ( 2.265 -0.803 3.996) 4.663 6.982 ( 1.972 1.356 1.060) 2.617 7.127 ( -2.231 -0.350 -1.295) 2.603 7.227 ( -1.091 0.143 -1.260) 1.673 7.417 ( -4.340 4.505 -0.120) 6.257 7.514 ( -5.350 -0.135 -1.307) 5.509 7.593 ( -0.126 -0.148 -1.217) 1.232 7.678 ( -0.330 -0.791 -0.531) 1.008 9.516 ( 3.076 -0.263 -2.049) 3.705 9.735 ( 4.267 -1.586 -1.391) 4.760 9.842 ( 0.563 -3.176 -1.287) 3.473 9.976 ( 0.758 -1.753 1.945) 2.726 10.017 ( 2.031 2.460 2.098) 3.818 10.110 ( 2.041 3.873 -6.410) 7.763 10.257 ( 6.280 -2.477 -1.242) 6.864 10.306 ( 3.500 -0.757 6.298) 7.245 10.949 ( 1.404 3.074 -0.092) 3.381 11.075 ( 0.963 0.353 -4.471) 4.587 11.620 ( 3.413 0.274 -0.922) 3.546 11.867 ( 0.162 -6.343 0.608) 6.374 18.147 ( 7.847 -0.106 0.345) 7.855 18.256 ( 8.857 0.522 -0.668) 8.897 18.635 ( 7.393 2.256 2.000) 7.984 18.836 ( 13.325 -0.637 -0.438) 13.348 18.967 ( 8.053 3.621 4.495) 9.908 19.289 ( -1.598 -3.683 6.902) 7.985 19.526 ( 4.409 0.753 6.906) 8.228 19.816 ( 1.652 -5.898 -7.147) 9.412 20.712 ( -1.349 4.196 1.672) 4.714 20.815 ( -0.124 1.818 2.803) 3.343 21.280 ( -0.510 0.166 1.432) 1.529 21.305 ( -1.387 0.030 -2.250) 2.643 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 10.116 1.943 13.283) 16.810 1.965 ( 12.154 11.295 6.482) 17.813 2.035 ( 4.846 6.236 -6.758) 10.394 2.185 ( 5.470 -3.113 0.002) 6.294 2.344 ( 4.720 -4.445 -2.570) 6.975 2.450 ( 4.788 1.912 1.094) 5.270 2.647 ( 5.151 -0.764 3.107) 6.064 2.789 ( -1.199 -0.272 -2.126) 2.456 2.849 ( 6.878 -0.194 9.560) 11.778 2.957 ( -0.155 -0.326 -0.448) 0.575 3.253 ( 5.798 2.370 1.755) 6.505 3.462 ( 5.272 -0.696 -0.904) 5.394 3.652 ( 3.313 -0.246 1.382) 3.598 3.812 ( 3.844 -3.815 2.143) 5.824 3.879 ( 0.344 -0.009 -2.971) 2.991 3.966 ( 0.324 0.488 -4.563) 4.601 4.313 ( -0.794 -0.326 -4.072) 4.162 4.359 ( 0.479 0.926 3.305) 3.466 4.716 ( -9.058 -0.142 2.202) 9.323 4.732 ( -5.081 -1.488 0.038) 5.294 4.836 ( -8.713 1.795 2.546) 9.253 4.934 ( -0.538 -4.075 0.212) 4.116 5.092 ( -3.262 -1.160 3.923) 5.232 5.213 ( -4.565 3.121 0.164) 5.532 5.248 ( -4.423 -0.024 2.091) 4.892 5.347 ( -6.256 -1.085 -2.598) 6.861 5.429 ( 4.078 0.575 -4.010) 5.748 5.616 ( -1.826 -1.409 0.817) 2.447 5.646 ( 1.702 -2.793 4.387) 5.472 5.726 ( -1.640 3.651 1.061) 4.140 5.821 ( -4.991 3.262 -2.204) 6.357 5.851 ( -4.173 1.943 0.070) 4.604 6.033 ( 0.834 0.621 -2.609) 2.809 6.142 ( -0.908 -0.753 3.613) 3.801 6.174 ( -4.083 0.460 2.381) 4.748 6.196 ( 0.694 -6.233 -4.822) 7.911 6.308 ( -1.974 3.272 3.646) 5.282 6.355 ( -4.705 3.269 -3.990) 6.982 6.486 ( -2.031 2.762 3.779) 5.102 6.577 ( -1.025 -0.078 -1.663) 1.955 6.911 ( 2.066 -1.056 3.097) 3.870 7.011 ( 0.781 -3.547 0.411) 3.655 7.109 ( 0.533 -0.322 -1.423) 1.554 7.193 ( -1.685 -0.454 -1.201) 2.119 7.369 ( -1.980 1.383 -0.820) 2.551 7.431 ( -1.737 1.471 -2.883) 3.673 7.603 ( 0.940 -0.696 -0.893) 1.472 7.675 ( 0.198 0.383 0.373) 0.570 9.579 ( 3.042 -1.584 -1.384) 3.698 9.749 ( -1.619 -4.145 0.132) 4.452 9.893 ( 3.077 -0.361 1.697) 3.533 9.988 ( 0.418 -2.738 -0.028) 2.769 10.067 ( 2.969 3.688 -1.128) 4.867 10.142 ( 1.178 4.100 -3.796) 5.711 10.371 ( 4.432 -0.480 2.599) 5.160 10.396 ( 5.101 -1.739 -0.319) 5.398 11.003 ( 3.427 2.967 -0.247) 4.540 11.102 ( 1.544 0.665 -2.661) 3.148 11.682 ( 2.614 -0.183 -0.924) 2.779 11.831 ( -2.969 -4.059 3.444) 6.095 18.319 ( 8.047 1.709 -1.628) 8.386 18.404 ( 5.253 3.761 0.290) 6.468 18.747 ( 4.645 -0.233 1.422) 4.863 19.081 ( 5.483 -5.705 4.409) 9.058 19.218 ( 12.571 2.913 -1.787) 13.027 19.251 ( 4.597 2.041 4.706) 6.888 19.657 ( 6.161 -1.804 9.159) 11.185 19.846 ( 1.751 -5.674 -6.936) 9.131 20.693 ( -0.542 3.183 1.684) 3.642 20.806 ( -0.895 0.603 2.002) 2.274 21.282 ( 0.733 0.463 0.047) 0.869 21.295 ( 0.416 0.600 -0.508) 0.889 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 10.489 -1.647 6.373) 12.384 2.122 ( 3.635 0.388 -2.776) 4.591 2.175 ( 7.735 8.421 0.534) 11.447 2.283 ( 2.990 -3.747 1.421) 5.000 2.429 ( 3.254 -3.392 2.522) 5.334 2.537 ( 3.136 5.186 -2.718) 6.642 2.741 ( 3.784 2.115 0.670) 4.387 2.764 ( -0.565 -0.249 0.469) 0.776 2.905 ( 0.841 -0.502 0.855) 1.300 2.973 ( -0.677 0.011 5.971) 6.009 3.376 ( 5.814 2.633 2.269) 6.773 3.531 ( 1.150 -0.047 0.458) 1.239 3.735 ( 4.036 -0.748 1.472) 4.361 3.857 ( -0.468 -2.588 3.273) 4.199 3.868 ( 0.235 0.774 -1.361) 1.584 3.943 ( -2.213 1.282 -2.932) 3.890 4.332 ( 2.427 -1.039 -2.488) 3.627 4.406 ( 2.932 0.572 3.594) 4.673 4.537 ( -6.819 0.025 -0.668) 6.852 4.656 ( -5.759 -1.393 2.529) 6.442 4.720 ( 0.763 -0.614 2.230) 2.436 4.915 ( -1.180 -6.575 -2.663) 7.192 5.021 ( -3.073 -1.348 3.935) 5.172 5.096 ( -6.972 -2.178 3.180) 7.966 5.152 ( -2.312 2.038 -2.922) 4.247 5.233 ( -5.440 0.872 -3.177) 6.360 5.511 ( 2.913 0.909 -4.311) 5.281 5.584 ( -0.596 -0.674 2.399) 2.562 5.638 ( -1.864 -2.245 -2.593) 3.904 5.665 ( -7.442 1.633 2.874) 8.143 5.746 ( 3.499 2.797 4.541) 6.379 5.890 ( 3.680 7.341 -3.774) 9.038 6.035 ( -0.544 2.201 1.796) 2.893 6.078 ( -2.170 1.845 3.377) 4.418 6.146 ( -1.261 -0.492 0.158) 1.363 6.211 ( 0.738 -3.825 -7.233) 8.215 6.252 ( -3.581 4.171 2.282) 5.952 6.276 ( -2.253 3.427 -0.247) 4.109 6.469 ( -0.400 -0.280 4.951) 4.975 6.570 ( 0.253 -1.204 -4.068) 4.250 6.955 ( 2.090 -1.285 1.882) 3.092 7.026 ( 0.832 -3.789 1.674) 4.225 7.104 ( -1.545 -2.872 -3.698) 4.930 7.184 ( 0.683 -3.248 0.865) 3.430 7.323 ( -1.446 1.572 -3.124) 3.785 7.418 ( -0.696 1.115 -2.447) 2.778 7.633 ( 2.137 0.509 -0.623) 2.283 7.682 ( 0.142 1.168 0.987) 1.536 9.633 ( 2.194 -2.743 0.072) 3.514 9.705 ( -2.441 -2.734 2.126) 4.237 9.939 ( 1.326 -2.250 1.523) 3.024 9.991 ( -0.023 -3.805 -0.950) 3.921 10.129 ( 2.875 5.305 -2.584) 6.564 10.153 ( -0.014 5.319 -0.486) 5.341 10.446 ( 2.786 -0.960 1.370) 3.250 10.491 ( 4.036 -0.790 -4.540) 6.125 11.068 ( 2.501 2.258 0.846) 3.474 11.123 ( 0.351 1.123 -0.521) 1.287 11.727 ( 2.004 -0.920 -0.945) 2.399 11.771 ( -2.942 -2.139 4.041) 5.437 18.452 ( 4.991 3.409 -2.723) 6.629 18.467 ( 1.127 4.497 1.650) 4.921 18.855 ( 6.029 -2.424 -1.014) 6.577 19.027 ( -5.495 -5.130 5.267) 9.179 19.428 ( 8.711 1.941 0.614) 8.946 19.468 ( 8.570 2.855 -0.236) 9.036 19.757 ( 2.782 -3.202 8.549) 9.543 19.884 ( 2.679 -5.315 -7.710) 9.740 20.697 ( 0.892 2.369 2.011) 3.233 20.784 ( -1.223 0.453 0.564) 1.421 21.303 ( 0.872 0.839 0.994) 1.566 21.313 ( 1.216 0.626 -1.132) 1.775 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -0.133 -1.140 4.845) 4.979 2.169 ( 1.341 -1.990 -4.346) 4.964 2.272 ( 0.242 0.653 0.205) 0.726 2.295 ( 0.485 -0.984 -1.467) 1.832 2.470 ( 0.038 0.494 5.829) 5.850 2.544 ( -2.335 3.532 -0.910) 4.331 2.758 ( -1.166 1.994 1.973) 3.038 2.782 ( 0.222 2.325 -0.750) 2.453 2.921 ( -2.717 1.096 3.712) 4.729 2.977 ( 5.868 -0.807 -0.995) 6.006 3.472 ( 0.401 0.665 3.316) 3.406 3.514 ( -0.131 0.731 -0.820) 1.106 3.795 ( 1.502 0.106 4.069) 4.339 3.830 ( -2.070 -1.836 2.488) 3.721 3.883 ( 0.236 0.982 -0.653) 1.203 3.889 ( -1.561 1.425 -1.335) 2.500 4.362 ( -5.355 1.686 2.418) 6.112 4.399 ( 4.414 -0.042 -0.916) 4.508 4.544 ( -1.281 -1.991 1.349) 2.725 4.558 ( 2.736 -1.605 0.598) 3.228 4.802 ( 5.350 -4.871 0.720) 7.272 4.857 ( -4.057 -7.003 -3.688) 8.894 4.985 ( 0.024 -1.491 2.900) 3.261 5.047 ( 2.557 -1.575 -1.052) 3.182 5.125 ( -3.962 2.892 -1.637) 5.171 5.147 ( 1.349 1.732 -1.460) 2.636 5.505 ( -3.623 2.002 4.226) 5.916 5.524 ( -2.996 -0.285 3.010) 4.256 5.633 ( 3.388 1.387 -2.468) 4.415 5.646 ( 1.812 -0.751 -3.266) 3.810 5.820 ( 2.592 4.298 2.783) 5.739 5.919 ( -0.138 4.052 -5.746) 7.032 6.007 ( -1.735 0.592 6.391) 6.649 6.095 ( -3.220 1.731 3.398) 4.991 6.101 ( 2.446 1.597 -2.626) 3.928 6.208 ( -0.018 2.154 -3.153) 3.819 6.221 ( 0.022 1.335 -0.595) 1.461 6.252 ( 0.324 3.150 -0.513) 3.208 6.469 ( 0.124 -1.854 4.260) 4.648 6.578 ( 0.698 -1.174 -4.680) 4.875 6.989 ( 0.886 -1.471 1.336) 2.176 7.040 ( -0.763 -2.693 -0.928) 2.949 7.074 ( 0.247 -3.883 2.900) 4.853 7.181 ( -0.799 -5.250 -4.364) 6.873 7.329 ( 1.909 1.725 0.109) 2.575 7.389 ( -1.754 0.904 -3.735) 4.225 7.658 ( -1.091 1.825 2.043) 2.948 7.690 ( 1.446 0.425 -1.869) 2.401 9.647 ( -2.256 -2.006 3.469) 4.598 9.675 ( 0.691 -4.041 1.302) 4.301 9.951 ( -0.202 -2.293 2.282) 3.241 9.989 ( -0.030 -4.013 -2.086) 4.523 10.138 ( -1.492 5.885 1.294) 6.208 10.171 ( 1.372 5.946 -3.239) 6.908 10.483 ( 0.879 -1.566 -1.574) 2.388 10.549 ( 1.991 -0.119 -6.472) 6.773 11.094 ( -0.414 1.406 2.501) 2.899 11.112 ( -1.254 1.684 1.010) 2.330 11.720 ( -2.226 -0.821 3.594) 4.306 11.767 ( 2.093 -1.760 -0.643) 2.809 18.455 ( -2.003 2.503 2.670) 4.172 18.523 ( 1.775 5.018 -3.338) 6.283 18.913 ( -3.810 -4.207 3.479) 6.657 19.001 ( 6.527 -2.572 -4.049) 8.100 19.485 ( -2.999 1.983 5.167) 6.295 19.590 ( 2.823 2.095 -4.313) 5.565 19.776 ( -0.942 -3.665 6.619) 7.624 19.939 ( 2.524 -4.978 -8.198) 9.918 20.729 ( 1.805 1.367 1.841) 2.918 20.760 ( -0.926 1.141 -0.799) 1.673 21.306 ( -0.739 1.091 1.300) 1.851 21.333 ( 0.554 0.642 -1.090) 1.381 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -8.271 0.301 6.932) 10.796 2.125 ( -5.056 3.605 -7.228) 9.529 2.202 ( -6.207 2.615 -0.704) 6.772 2.310 ( -0.426 -2.103 -0.499) 2.203 2.432 ( -7.198 4.114 1.238) 8.382 2.457 ( -2.190 -3.468 3.998) 5.727 2.720 ( -1.680 2.170 2.389) 3.639 2.771 ( -1.500 0.161 -0.029) 1.509 2.910 ( 0.909 2.359 0.489) 2.575 3.062 ( 1.022 -1.326 -0.971) 1.935 3.396 ( -4.979 -1.886 0.838) 5.390 3.520 ( -2.343 -0.002 1.359) 2.709 3.761 ( -3.755 -1.395 1.333) 4.221 3.801 ( -2.462 0.550 4.731) 5.362 3.842 ( -0.814 1.206 1.685) 2.226 3.928 ( 1.991 -0.305 -1.244) 2.367 4.271 ( -3.287 1.428 2.542) 4.394 4.476 ( -2.268 -0.642 -2.200) 3.225 4.528 ( 7.839 1.193 0.076) 7.930 4.679 ( 5.408 -3.110 0.490) 6.258 4.792 ( -0.210 -3.232 -4.664) 5.678 4.889 ( 3.294 -4.276 0.702) 5.444 5.079 ( 2.862 1.562 2.261) 3.968 5.091 ( 6.984 -2.291 -0.109) 7.351 5.126 ( 2.416 -0.900 -0.026) 2.578 5.195 ( 4.268 -2.367 -1.115) 5.007 5.441 ( -1.858 6.025 2.104) 6.647 5.522 ( 1.338 -1.358 3.934) 4.371 5.682 ( 1.115 0.538 1.674) 2.082 5.698 ( 3.015 1.884 -2.516) 4.355 5.831 ( -0.411 9.016 -4.033) 9.886 5.899 ( -1.937 -0.471 -4.375) 4.808 6.012 ( 1.899 -3.354 7.060) 8.044 6.041 ( -1.172 0.357 0.047) 1.226 6.142 ( 2.064 1.699 -0.432) 2.708 6.197 ( -1.017 3.082 -1.407) 3.537 6.253 ( 2.564 2.332 0.220) 3.473 6.284 ( 2.375 2.172 0.570) 3.268 6.482 ( 1.015 -1.725 2.017) 2.841 6.593 ( 1.124 0.083 -4.683) 4.816 6.981 ( -1.613 -2.884 0.259) 3.315 7.024 ( 0.355 -0.700 0.913) 1.204 7.081 ( -1.055 -5.101 1.001) 5.305 7.188 ( 2.205 -1.041 -3.124) 3.963 7.347 ( -0.878 1.242 -2.987) 3.351 7.383 ( 2.094 -0.547 -0.320) 2.188 7.614 ( -2.755 1.578 1.663) 3.584 7.708 ( 0.060 0.141 -1.847) 1.853 9.592 ( -3.104 -1.474 3.385) 4.824 9.687 ( -0.086 -5.717 3.744) 6.835 9.940 ( -0.871 -1.077 2.304) 2.689 9.981 ( -0.984 -2.929 -1.377) 3.383 10.098 ( -2.260 5.278 0.988) 5.826 10.181 ( -0.068 5.703 -4.043) 6.991 10.478 ( -1.319 -2.053 -3.979) 4.668 10.563 ( -0.264 0.218 -7.577) 7.585 11.045 ( -3.942 1.915 3.513) 5.616 11.082 ( -2.276 0.956 2.864) 3.781 11.682 ( -1.921 0.168 3.115) 3.663 11.812 ( 2.167 -2.768 0.186) 3.520 18.393 ( -4.106 0.567 1.913) 4.565 18.513 ( -2.763 4.050 -1.506) 5.129 18.851 ( -1.975 -1.158 -1.375) 2.671 19.142 ( 6.954 -3.450 -4.569) 9.008 19.349 ( -10.119 2.071 4.046) 11.093 19.525 ( -8.738 0.809 -0.549) 8.792 19.771 ( 0.373 -2.573 1.775) 3.148 19.951 ( -1.173 -4.591 -9.220) 10.366 20.731 ( -0.891 1.703 -0.789) 2.078 20.785 ( 2.682 0.508 0.155) 2.734 21.277 ( -1.957 1.474 1.546) 2.897 21.333 ( -0.387 0.756 -1.093) 1.384 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -8.308 4.159 12.009) 15.183 1.996 ( -8.961 12.986 0.029) 15.777 2.045 ( -5.235 2.239 -9.721) 11.265 2.218 ( -9.950 8.858 -5.410) 14.378 2.304 ( -2.445 -8.138 1.077) 8.566 2.422 ( -2.382 -5.694 4.310) 7.528 2.693 ( -1.614 0.390 0.632) 1.777 2.710 ( -4.405 -2.197 3.293) 5.922 2.932 ( 0.838 2.258 -0.233) 2.420 3.018 ( -4.313 -0.191 -2.361) 4.921 3.274 ( -6.949 -2.215 -0.117) 7.295 3.407 ( -8.742 -0.811 4.709) 9.962 3.694 ( -2.926 -0.065 3.921) 4.893 3.737 ( -2.977 1.449 -0.186) 3.316 3.825 ( -1.550 -2.132 5.000) 5.652 3.940 ( -0.917 -1.236 -3.543) 3.862 4.247 ( 0.974 2.014 1.898) 2.934 4.444 ( -0.158 -1.026 -4.367) 4.489 4.692 ( 6.991 -0.527 0.942) 7.074 4.783 ( 6.873 -3.034 -0.660) 7.542 4.874 ( 6.416 1.000 -2.041) 6.806 4.931 ( 0.744 -1.630 1.638) 2.428 5.146 ( 1.545 0.038 -0.113) 1.549 5.171 ( 4.823 0.043 1.900) 5.184 5.275 ( 7.626 -1.009 2.374) 8.051 5.310 ( 5.733 -4.286 -1.841) 7.391 5.398 ( -1.185 1.747 0.813) 2.262 5.558 ( 0.981 1.989 1.903) 2.922 5.710 ( 2.891 5.987 0.924) 6.713 5.750 ( 2.835 4.398 0.150) 5.234 5.841 ( -1.560 -2.939 -5.734) 6.629 5.875 ( 3.058 4.385 -0.846) 5.412 5.999 ( -0.872 -5.109 2.094) 5.590 6.104 ( 3.595 -1.808 0.843) 4.112 6.157 ( -1.347 -0.272 0.557) 1.482 6.210 ( 2.879 4.816 1.713) 5.866 6.294 ( 1.328 0.697 1.989) 2.491 6.349 ( 4.270 -0.848 -0.886) 4.443 6.508 ( 1.255 0.208 0.965) 1.596 6.630 ( 3.323 2.168 -5.063) 6.433 6.955 ( -0.623 -3.453 -0.432) 3.535 7.031 ( -0.951 0.228 -1.144) 1.504 7.063 ( 0.846 -2.889 1.792) 3.503 7.227 ( 0.930 2.338 -4.120) 4.827 7.374 ( 4.586 0.718 -1.064) 4.763 7.413 ( 0.737 0.561 -1.446) 1.717 7.569 ( -1.497 -0.952 2.686) 3.219 7.692 ( -1.151 0.130 -1.609) 1.983 9.528 ( -3.227 -1.114 2.977) 4.530 9.673 ( -1.535 -6.744 5.965) 9.133 9.916 ( -2.313 0.518 -0.202) 2.379 9.939 ( -2.421 1.138 3.189) 4.162 10.063 ( -1.049 1.546 -1.204) 2.223 10.169 ( -0.647 4.382 -4.916) 6.617 10.423 ( -3.787 -2.396 -5.725) 7.270 10.531 ( -2.289 0.235 -8.009) 8.333 10.958 ( -4.259 2.358 4.438) 6.588 11.022 ( -3.526 0.381 4.602) 5.810 11.639 ( -2.560 0.995 2.906) 3.999 11.847 ( 0.902 -3.856 1.636) 4.285 18.288 ( -6.391 -0.580 1.013) 6.496 18.418 ( -6.144 1.286 -1.067) 6.367 18.812 ( -2.637 1.833 -4.244) 5.322 19.099 ( -13.818 1.794 2.268) 14.117 19.208 ( -6.233 -3.569 -1.109) 7.268 19.354 ( -0.458 0.564 -3.447) 3.523 19.768 ( -1.008 -2.622 0.030) 2.809 19.881 ( -4.823 -3.943 -11.224) 12.837 20.719 ( -0.091 2.762 -0.571) 2.821 20.839 ( 2.260 -0.366 -1.207) 2.588 21.242 ( -1.131 1.950 1.885) 2.939 21.326 ( 0.098 0.756 -1.611) 1.783 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -5.741 9.681 15.969) 19.537 1.777 ( -10.759 13.663 10.893) 20.521 1.999 ( -7.987 8.154 -10.640) 15.605 2.037 ( 2.232 5.141 -17.972) 18.825 2.265 ( -1.384 -4.940 1.927) 5.481 2.366 ( -3.212 -6.251 2.791) 7.562 2.597 ( -6.112 -4.132 1.828) 7.601 2.641 ( -4.240 -3.134 1.642) 5.522 2.877 ( -7.573 1.030 -6.475) 10.017 2.965 ( 0.765 3.107 2.126) 3.842 3.136 ( -8.360 -2.478 5.486) 10.302 3.206 ( -7.703 0.239 4.750) 9.053 3.643 ( -2.194 0.201 5.281) 5.722 3.701 ( -0.787 1.011 -4.024) 4.223 3.796 ( -0.882 -3.531 6.550) 7.493 3.908 ( -0.740 -2.754 -6.857) 7.426 4.304 ( 4.171 3.564 1.940) 5.819 4.472 ( 2.638 -0.828 -4.873) 5.603 4.812 ( 4.596 -3.703 2.190) 6.295 4.906 ( 0.056 -3.379 0.643) 3.440 4.962 ( 6.923 2.078 0.830) 7.276 4.993 ( 2.520 0.442 -1.130) 2.797 5.111 ( -2.995 4.704 -0.555) 5.604 5.225 ( -0.560 4.728 0.701) 4.812 5.325 ( 0.789 -1.648 1.306) 2.246 5.432 ( 6.200 -2.492 2.389) 7.096 5.500 ( 7.818 -2.176 2.640) 8.534 5.598 ( 2.051 0.964 -2.606) 3.454 5.722 ( -1.418 3.807 0.160) 4.065 5.842 ( 3.151 -1.607 -1.300) 3.768 5.849 ( 5.177 -0.010 -0.706) 5.225 5.948 ( 2.853 3.286 -0.062) 4.352 5.986 ( -0.439 -3.205 -0.396) 3.259 6.108 ( -2.955 -1.037 1.872) 3.648 6.165 ( 1.840 -0.239 2.916) 3.456 6.267 ( 2.888 0.224 1.085) 3.093 6.335 ( 2.587 0.985 5.601) 6.248 6.439 ( 3.804 -5.831 -4.426) 8.250 6.543 ( 2.647 2.302 2.181) 4.131 6.724 ( 5.403 3.956 -6.088) 9.050 6.939 ( -1.489 -2.417 -2.589) 3.843 7.014 ( 0.104 -1.214 -1.271) 1.761 7.103 ( 2.448 0.202 1.144) 2.710 7.239 ( 0.987 4.927 -3.704) 6.243 7.431 ( 2.243 3.979 -1.849) 4.928 7.509 ( 7.013 0.642 -0.130) 7.044 7.553 ( -0.504 -3.790 2.906) 4.802 7.686 ( 1.685 0.505 -1.758) 2.487 9.470 ( -2.426 -0.583 2.012) 3.206 9.634 ( -2.646 -6.033 6.618) 9.338 9.827 ( -5.188 2.241 -0.280) 5.658 9.918 ( -0.620 2.944 5.115) 5.935 10.046 ( -0.703 -1.313 -2.973) 3.325 10.154 ( -0.499 1.399 -4.719) 4.948 10.316 ( -6.250 -1.841 -6.742) 9.376 10.460 ( -4.316 0.110 -7.650) 8.784 10.908 ( -0.081 1.805 4.216) 4.587 10.962 ( -2.108 0.348 6.097) 6.460 11.577 ( -3.627 1.514 2.967) 4.924 11.834 ( -2.736 -4.608 3.269) 6.277 18.142 ( -7.523 -0.710 0.645) 7.584 18.274 ( -7.508 -1.343 -2.642) 8.072 18.691 ( -9.335 0.823 -2.469) 9.691 18.823 ( -12.666 0.798 0.261) 12.693 19.036 ( -5.269 2.525 -1.756) 6.101 19.424 ( 2.778 -3.952 -5.141) 7.055 19.724 ( -3.671 -3.095 -4.302) 6.447 19.762 ( -4.764 -2.323 -8.767) 10.244 20.728 ( 0.914 3.861 0.304) 3.979 20.864 ( 0.147 0.334 -1.837) 1.872 21.241 ( 0.784 2.170 2.139) 3.147 21.343 ( 1.635 0.167 -2.942) 3.370 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -7.525 18.340 15.152) 24.951 1.657 ( -1.124 6.998 19.623) 20.863 1.839 ( -5.461 12.863 -11.563) 18.138 2.143 ( 6.465 2.038 -18.753) 19.941 2.241 ( -2.873 -4.617 6.227) 8.267 2.315 ( 0.021 -3.421 -0.387) 3.443 2.456 ( -7.586 -2.967 -1.817) 8.346 2.531 ( -7.331 -2.689 3.503) 8.558 2.756 ( -1.132 0.720 -6.994) 7.122 2.834 ( -11.631 0.084 9.273) 14.875 3.076 ( 2.936 1.565 2.163) 3.968 3.144 ( -1.081 -2.470 1.931) 3.316 3.609 ( -1.395 0.149 3.230) 3.521 3.682 ( -0.781 1.459 -4.311) 4.618 3.817 ( 2.185 -5.986 6.575) 9.157 3.932 ( 3.230 -5.352 -8.569) 10.607 4.405 ( 4.981 5.736 1.774) 7.801 4.512 ( 0.967 0.311 -3.116) 3.277 4.803 ( -3.892 4.166 1.428) 5.878 4.905 ( -5.971 4.676 -0.710) 7.617 4.956 ( 3.805 -3.514 -0.165) 5.182 5.080 ( 2.082 -0.070 1.041) 2.329 5.139 ( 3.389 -0.549 0.104) 3.435 5.216 ( 0.973 0.718 2.885) 3.128 5.363 ( 2.453 -1.169 -0.157) 2.721 5.486 ( -2.380 -2.754 -1.218) 3.838 5.600 ( 2.042 0.319 2.545) 3.279 5.634 ( 1.941 -0.494 0.614) 2.095 5.726 ( 1.430 5.131 2.421) 5.851 5.890 ( -0.217 -2.918 2.068) 3.583 5.934 ( 5.012 -1.384 -3.229) 6.120 5.968 ( -0.976 1.587 2.965) 3.502 6.026 ( 2.801 1.023 -3.598) 4.673 6.040 ( -1.917 -0.555 2.019) 2.839 6.202 ( 1.871 0.205 6.179) 6.459 6.340 ( 3.757 -1.730 -0.085) 4.137 6.387 ( 1.190 -0.148 5.667) 5.793 6.488 ( 1.887 -8.403 -5.011) 9.964 6.618 ( 3.927 0.673 3.658) 5.409 6.787 ( 0.044 3.327 -4.563) 5.647 6.908 ( -0.497 0.532 -4.029) 4.095 7.002 ( -1.924 -0.078 -4.517) 4.910 7.162 ( 3.057 0.456 1.364) 3.378 7.254 ( 0.208 5.295 -2.446) 5.836 7.507 ( 3.929 2.527 0.048) 4.672 7.560 ( 1.102 -3.114 2.551) 4.174 7.613 ( 4.393 2.742 1.622) 5.426 7.774 ( 5.059 2.008 -4.922) 7.339 9.444 ( 0.243 0.122 0.507) 0.575 9.569 ( -4.230 -1.712 3.254) 5.605 9.748 ( -1.472 -0.633 2.906) 3.318 9.911 ( -0.465 3.580 4.767) 5.980 10.026 ( -1.239 -3.791 -4.520) 6.028 10.135 ( -2.177 -4.047 -0.176) 4.599 10.191 ( -3.503 2.845 -8.508) 9.631 10.347 ( -6.216 0.463 -5.834) 8.537 10.947 ( 1.189 0.401 6.241) 6.366 10.985 ( 5.833 0.086 0.756) 5.882 11.515 ( -1.558 0.920 3.288) 3.753 11.734 ( -6.944 -4.235 3.163) 8.727 18.012 ( -4.627 -0.686 1.635) 4.956 18.130 ( -5.741 -2.386 -4.545) 7.701 18.506 ( -6.502 -1.316 -1.420) 6.784 18.601 ( -9.137 -1.927 -0.002) 9.338 19.001 ( 1.031 4.522 -1.754) 4.959 19.350 ( -10.085 -2.739 -6.473) 12.293 19.681 ( 1.376 -2.446 -8.334) 8.794 19.693 ( -2.726 -2.417 -1.539) 3.955 20.754 ( 1.436 4.653 1.125) 4.998 20.843 ( -1.931 2.612 -0.745) 3.333 21.268 ( 1.425 1.766 2.683) 3.514 21.377 ( 1.524 -0.742 -4.818) 5.107 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -2.447 14.009 15.560) 21.080 1.856 ( -1.234 10.599 16.696) 19.814 2.008 ( -1.889 -5.826 8.268) 10.289 2.043 ( 2.375 -1.555 2.309) 3.660 2.176 ( -4.125 3.068 -0.691) 5.187 2.293 ( -3.893 -1.654 -8.212) 9.237 2.357 ( 1.480 3.396 -9.266) 9.979 2.441 ( 4.495 -0.802 -8.097) 9.295 2.671 ( -6.557 5.364 9.169) 12.484 2.852 ( 0.235 -5.878 3.396) 6.792 2.983 ( 2.213 0.261 -0.818) 2.374 3.117 ( 4.706 -7.628 -6.052) 10.815 3.616 ( -0.389 1.479 4.540) 4.791 3.658 ( -0.237 -3.026 3.764) 4.835 3.786 ( 1.664 1.641 -6.154) 6.583 3.854 ( 2.110 -5.348 -8.827) 10.534 4.595 ( -0.727 7.464 3.169) 8.142 4.651 ( 1.033 5.768 -1.521) 6.054 4.798 ( -0.810 -1.434 2.984) 3.409 4.884 ( 0.217 -4.500 -4.440) 6.325 5.016 ( -2.651 4.626 1.585) 5.562 5.052 ( 2.026 3.713 -1.449) 4.471 5.106 ( -1.424 -3.573 3.888) 5.469 5.169 ( 1.941 -5.786 -1.658) 6.324 5.400 ( 1.099 1.094 1.337) 2.047 5.424 ( -1.788 -0.551 -0.941) 2.094 5.612 ( -1.959 1.722 3.889) 4.683 5.643 ( -0.694 -1.384 1.002) 1.844 5.830 ( -0.834 1.701 5.386) 5.709 5.856 ( -0.592 -1.094 3.843) 4.039 5.955 ( 0.724 1.078 4.223) 4.418 5.997 ( 1.757 -2.885 0.974) 3.515 6.030 ( 0.984 3.044 -2.671) 4.168 6.073 ( 0.305 -0.968 -4.083) 4.207 6.245 ( -0.234 0.160 1.912) 1.933 6.270 ( -4.014 -2.716 0.274) 4.855 6.388 ( 2.269 0.544 0.908) 2.504 6.430 ( 2.777 -3.574 -2.329) 5.090 6.680 ( 0.097 1.408 3.096) 3.403 6.723 ( -1.937 -2.482 -0.189) 3.154 6.998 ( -1.269 4.300 -2.267) 5.024 7.016 ( -0.142 3.450 -3.612) 4.997 7.203 ( 1.124 -1.001 0.537) 1.598 7.231 ( -1.803 -2.830 -1.914) 3.863 7.576 ( 1.554 1.600 0.941) 2.421 7.592 ( 0.750 0.633 -0.422) 1.068 7.779 ( 0.074 3.904 2.052) 4.411 7.827 ( -2.283 -0.372 -1.955) 3.029 9.515 ( 4.153 1.235 -0.448) 4.356 9.519 ( -0.106 1.167 -0.803) 1.421 9.751 ( 1.881 -0.155 0.256) 1.904 9.805 ( -3.898 -5.192 -4.691) 8.009 10.006 ( 1.487 2.816 5.691) 6.521 10.063 ( 1.106 -2.561 2.103) 3.494 10.205 ( -1.644 1.408 -4.293) 4.808 10.227 ( -3.850 -0.582 -4.719) 6.118 11.009 ( 1.420 2.441 3.355) 4.385 11.057 ( 2.279 -2.125 -1.148) 3.320 11.535 ( 2.436 -1.094 1.689) 3.160 11.549 ( -1.495 -2.147 0.373) 2.643 17.964 ( 0.164 0.276 1.382) 1.419 17.994 ( -1.295 -2.708 -1.193) 3.230 18.411 ( -0.793 -0.447 0.478) 1.028 18.428 ( 0.972 -1.951 -1.001) 2.399 19.117 ( -1.619 4.274 3.517) 5.767 19.171 ( -2.970 -0.467 -1.125) 3.210 19.600 ( -2.190 0.396 -3.472) 4.124 19.645 ( 0.872 -3.973 -7.357) 8.407 20.865 ( 0.482 2.778 1.415) 3.155 20.871 ( -0.999 2.253 0.822) 2.598 21.317 ( -0.294 1.715 0.597) 1.840 21.354 ( -0.690 -1.865 -2.831) 3.460 ======================= Grid point 176 (100/108) ======================= q-point: ( 0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -2.331 9.629 15.707) 18.570 1.816 ( 0.693 10.089 18.102) 20.735 2.004 ( 0.220 -1.790 7.992) 8.193 2.085 ( -2.365 -8.958 11.822) 15.020 2.141 ( 5.034 10.187 -7.679) 13.715 2.294 ( 4.834 -4.075 -4.113) 7.543 2.373 ( 1.959 10.457 -9.055) 13.971 2.574 ( 7.688 -4.644 -10.041) 13.472 2.620 ( 0.971 5.010 7.522) 9.089 2.832 ( -0.472 -11.778 7.977) 14.233 3.115 ( 8.317 2.180 -6.267) 10.639 3.197 ( 3.249 -4.231 -4.243) 6.816 3.616 ( 0.188 0.840 3.882) 3.976 3.648 ( -1.013 -2.651 3.747) 4.700 3.818 ( 2.224 2.860 -7.764) 8.567 3.885 ( 1.431 -4.246 -9.194) 10.228 4.525 ( -5.577 5.726 1.141) 8.074 4.569 ( -6.779 3.186 -1.158) 7.579 4.794 ( 0.045 -1.812 2.164) 2.822 4.848 ( -2.331 -5.277 0.190) 5.772 5.039 ( 1.057 2.595 0.820) 2.919 5.047 ( -0.989 1.903 1.401) 2.562 5.168 ( 3.562 2.582 -0.351) 4.413 5.237 ( 3.856 -3.134 -0.292) 4.977 5.359 ( -2.774 3.421 0.048) 4.405 5.415 ( 0.844 -0.913 1.313) 1.808 5.588 ( -1.156 -0.501 3.298) 3.531 5.601 ( -3.097 -1.624 3.595) 5.015 5.745 ( -6.225 1.218 2.524) 6.827 5.803 ( -4.392 -3.962 1.847) 6.196 5.938 ( -2.452 3.614 4.325) 6.146 5.998 ( -1.695 -2.202 0.422) 2.811 6.053 ( 0.465 1.144 -2.224) 2.543 6.078 ( 0.686 -0.759 -1.950) 2.202 6.198 ( -2.612 -0.933 0.448) 2.810 6.229 ( -2.034 -3.554 1.416) 4.333 6.417 ( 0.636 2.605 -1.688) 3.169 6.474 ( 1.594 -2.511 -3.067) 4.272 6.664 ( -1.948 1.341 3.621) 4.325 6.699 ( -0.887 -2.061 1.670) 2.797 6.927 ( -3.986 5.806 -0.433) 7.056 7.009 ( -1.484 -0.507 -1.472) 2.150 7.183 ( -1.521 1.166 -1.005) 2.164 7.229 ( 0.277 -1.691 0.763) 1.876 7.586 ( -1.006 1.411 -1.159) 2.085 7.596 ( -0.122 0.638 -2.440) 2.525 7.685 ( -8.884 2.046 1.115) 9.184 7.713 ( -6.140 -0.071 1.420) 6.303 9.515 ( 0.581 3.688 -3.247) 4.948 9.597 ( 3.120 -3.461 -3.788) 6.006 9.785 ( 2.269 0.564 -1.413) 2.732 9.846 ( 5.356 -4.304 1.821) 7.108 10.040 ( 1.692 3.433 3.116) 4.935 10.102 ( 2.710 -2.642 -0.129) 3.787 10.168 ( -0.379 2.586 -2.366) 3.525 10.214 ( 1.697 -2.014 1.783) 3.180 11.012 ( -0.506 3.324 -0.149) 3.366 11.064 ( -0.337 -1.666 -3.574) 3.958 11.570 ( 3.382 1.727 0.330) 3.812 11.647 ( 5.909 -6.262 0.819) 8.649 18.016 ( 4.779 0.240 0.702) 4.836 18.043 ( 6.752 -2.148 0.068) 7.086 18.499 ( 9.009 2.374 -0.060) 9.317 18.555 ( 10.149 -3.042 -0.487) 10.606 19.057 ( -2.555 6.813 5.188) 8.937 19.170 ( 1.029 -4.242 5.080) 6.698 19.562 ( -1.061 3.431 -1.844) 4.037 19.661 ( 1.047 -6.223 -5.776) 8.554 20.840 ( -2.016 3.533 1.362) 4.290 20.862 ( -0.861 1.291 1.663) 2.274 21.303 ( -0.987 0.933 1.283) 1.868 21.327 ( -1.584 -1.325 -1.429) 2.511 ======================= Grid point 177 (101/108) ======================= q-point: ( 0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -0.739 9.848 17.131) 19.774 1.905 ( 3.709 -1.847 11.498) 12.222 2.044 ( 4.527 1.611 9.024) 10.223 2.091 ( 3.502 0.970 6.321) 7.292 2.254 ( 5.011 6.679 -8.816) 12.142 2.423 ( 6.301 -7.645 -3.809) 10.614 2.450 ( 6.400 12.099 -4.148) 14.302 2.678 ( 5.562 -6.513 -3.487) 9.248 2.742 ( 6.714 3.365 3.890) 8.458 2.855 ( 1.802 -7.610 4.503) 9.024 3.238 ( 2.873 2.130 -3.061) 4.708 3.285 ( 7.183 -2.246 -2.582) 7.957 3.624 ( 0.242 0.280 3.322) 3.343 3.650 ( 1.977 -2.907 5.070) 6.169 3.873 ( 3.095 2.174 -7.347) 8.264 3.914 ( 2.375 -2.092 -7.510) 8.149 4.408 ( -5.281 2.815 -0.983) 6.065 4.434 ( -5.564 0.953 -0.146) 5.647 4.774 ( -2.732 -1.729 0.718) 3.312 4.798 ( -2.877 -3.577 1.970) 4.995 4.987 ( -4.585 2.311 2.137) 5.561 5.011 ( -4.550 0.120 0.574) 4.588 5.176 ( -2.075 3.623 1.925) 4.598 5.258 ( -2.104 -4.388 1.726) 5.164 5.364 ( -1.512 4.500 -1.045) 4.861 5.415 ( -0.577 -0.071 -1.283) 1.409 5.493 ( -5.134 3.087 3.020) 6.709 5.567 ( -1.569 -2.478 0.712) 3.018 5.649 ( -1.919 2.059 2.014) 3.461 5.787 ( 3.288 -9.122 -1.651) 9.837 5.877 ( -3.154 5.035 4.278) 7.321 5.939 ( -3.234 -0.602 0.641) 3.352 6.039 ( -1.718 1.984 -0.915) 2.780 6.091 ( 0.359 -2.743 1.886) 3.348 6.147 ( -2.434 -0.880 -0.803) 2.710 6.181 ( -2.139 -3.837 0.583) 4.431 6.410 ( -1.161 4.182 -1.422) 4.567 6.482 ( -0.795 -1.834 -5.022) 5.405 6.612 ( -3.357 2.924 3.871) 5.900 6.648 ( -4.428 -0.267 2.800) 5.246 6.874 ( -0.784 3.178 1.810) 3.741 6.963 ( -2.168 -4.153 0.179) 4.688 7.161 ( -0.930 3.770 -1.165) 4.054 7.219 ( -1.480 -1.411 0.418) 2.087 7.507 ( -6.319 2.490 -0.430) 6.805 7.513 ( -6.068 0.296 -0.973) 6.152 7.593 ( 0.474 1.474 -2.552) 2.985 7.648 ( -0.304 -2.543 -0.232) 2.571 9.541 ( 1.891 3.138 -3.045) 4.764 9.636 ( 1.323 -6.167 -4.306) 7.637 9.852 ( 2.985 2.567 1.237) 4.127 9.916 ( 1.355 -3.707 2.053) 4.449 10.091 ( 3.248 4.484 -0.333) 5.547 10.160 ( 2.899 -0.938 -3.444) 4.598 10.224 ( 5.444 0.909 0.374) 5.532 10.272 ( 3.511 -2.531 5.415) 6.933 11.020 ( 1.626 3.610 -1.697) 4.308 11.070 ( 1.311 -1.293 -3.660) 4.097 11.643 ( 3.091 2.529 0.666) 4.049 11.731 ( 2.041 -6.426 1.707) 6.955 18.173 ( 9.906 2.565 -0.941) 10.276 18.231 ( 10.710 -2.767 -1.351) 11.144 18.705 ( 8.601 4.566 1.078) 9.797 18.792 ( 11.637 -3.721 0.250) 12.220 19.070 ( 4.954 6.269 5.492) 9.695 19.192 ( 1.141 -5.924 6.890) 9.158 19.571 ( 2.237 4.137 0.697) 4.754 19.683 ( 1.560 -6.881 -4.455) 8.344 20.797 ( -2.138 3.655 1.600) 4.526 20.836 ( -1.625 -0.235 1.777) 2.419 21.288 ( -0.357 0.629 0.872) 1.133 21.300 ( -0.690 -0.539 0.044) 0.877 ======================= Grid point 178 (102/108) ======================= q-point: ( 0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 5.840 7.021 11.629) 14.786 1.968 ( 3.149 -9.146 8.158) 12.653 2.170 ( 4.915 4.765 -0.195) 6.848 2.230 ( 9.259 2.846 7.754) 12.407 2.329 ( 3.214 7.513 -5.889) 10.072 2.527 ( 5.124 -4.921 -5.275) 8.849 2.609 ( 7.666 6.503 0.710) 10.078 2.763 ( 1.826 -3.866 -4.138) 5.950 2.853 ( 3.775 0.635 6.177) 7.267 2.897 ( 2.422 -4.568 3.795) 6.414 3.323 ( 5.688 4.836 -1.208) 7.563 3.420 ( 5.743 -4.047 -1.319) 7.148 3.658 ( 3.007 1.373 3.351) 4.707 3.719 ( 3.975 -4.741 4.324) 7.548 3.912 ( 1.123 3.121 -4.822) 5.853 3.962 ( 1.612 -1.383 -4.816) 5.263 4.329 ( -1.984 1.755 -1.432) 3.010 4.361 ( -1.534 -0.977 0.920) 2.039 4.699 ( -4.251 -0.243 1.604) 4.550 4.717 ( -5.296 -1.335 -0.778) 5.517 4.864 ( -7.088 1.045 2.045) 7.451 4.884 ( -6.846 -0.718 2.860) 7.454 5.098 ( -5.049 1.970 3.025) 6.207 5.174 ( -6.364 -5.273 2.124) 8.533 5.271 ( -4.730 2.483 -2.573) 5.929 5.315 ( -5.794 -2.011 -3.352) 6.989 5.502 ( 2.733 4.377 -0.184) 5.164 5.567 ( 1.130 -2.939 -0.221) 3.156 5.639 ( -0.986 3.624 2.417) 4.467 5.746 ( -6.163 -4.288 0.389) 7.518 5.891 ( -1.982 4.692 3.204) 6.018 5.927 ( 5.882 3.872 -0.494) 7.060 6.030 ( 2.233 -1.414 -2.808) 3.856 6.068 ( -2.390 -2.945 1.033) 3.930 6.131 ( 0.854 -1.248 0.648) 1.646 6.151 ( -1.167 -2.759 1.660) 3.425 6.377 ( -1.791 4.481 0.508) 4.852 6.431 ( -3.635 1.066 -5.173) 6.412 6.533 ( -4.270 1.939 4.553) 6.537 6.565 ( -3.142 -1.189 1.846) 3.834 6.881 ( 0.940 0.465 1.075) 1.502 6.944 ( 0.225 -4.324 1.303) 4.522 7.128 ( -2.406 2.410 -1.813) 3.857 7.173 ( -2.721 -1.702 0.098) 3.211 7.404 ( -3.060 2.045 -1.940) 4.160 7.439 ( -1.816 -1.048 -2.520) 3.278 7.617 ( 1.904 2.140 -1.692) 3.327 7.662 ( 1.281 -1.797 -0.125) 2.210 9.579 ( 1.765 1.888 -1.731) 3.110 9.650 ( 0.221 -5.025 -2.120) 5.458 9.890 ( 0.987 0.619 1.196) 1.669 9.926 ( -0.030 -2.918 0.999) 3.084 10.167 ( 3.889 5.261 -0.400) 6.555 10.212 ( 2.239 1.707 -0.629) 2.885 10.348 ( 6.029 -1.723 -2.779) 6.858 10.353 ( 3.965 -1.819 3.613) 5.664 11.068 ( 2.816 3.097 -0.987) 4.301 11.106 ( 2.089 -0.656 -2.172) 3.084 11.689 ( 1.527 1.338 0.681) 2.141 11.744 ( -0.506 -4.145 2.562) 4.900 18.377 ( 9.423 3.759 -3.037) 10.590 18.436 ( 8.773 -1.284 -2.103) 9.112 18.792 ( 0.946 5.538 3.757) 6.758 18.938 ( 1.032 -8.256 4.699) 9.556 19.279 ( 13.151 2.361 1.021) 13.400 19.289 ( 9.245 1.308 2.977) 9.800 19.640 ( 3.709 1.161 3.289) 5.092 19.719 ( 2.088 -6.273 -3.947) 7.699 20.761 ( -1.330 3.221 1.788) 3.917 20.804 ( -1.445 -1.062 1.635) 2.427 21.294 ( 0.943 0.672 0.191) 1.174 21.302 ( 0.732 -0.035 0.585) 0.938 ======================= Grid point 179 (103/108) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 7.456 2.785 5.508) 9.679 2.047 ( 3.720 -6.488 3.713) 8.350 2.245 ( 2.417 3.429 -1.362) 4.410 2.322 ( -0.673 -3.016 -1.397) 3.391 2.448 ( 7.556 9.897 4.102) 13.110 2.614 ( 2.578 -3.074 -3.018) 5.021 2.732 ( 4.245 2.872 0.952) 5.213 2.789 ( 2.014 0.227 -1.872) 2.759 2.901 ( 1.700 0.348 3.089) 3.543 2.941 ( 0.430 -3.135 4.887) 5.823 3.436 ( 4.840 3.462 -0.546) 5.975 3.502 ( 2.070 -2.839 -0.177) 3.518 3.738 ( 4.066 1.510 2.770) 5.146 3.792 ( 2.360 -3.612 3.309) 5.438 3.915 ( -0.362 3.225 -1.330) 3.507 3.956 ( -1.592 -0.483 -1.829) 2.472 4.331 ( 2.060 1.196 -0.312) 2.403 4.376 ( 2.939 -2.922 1.905) 4.562 4.564 ( -7.912 2.614 0.589) 8.354 4.620 ( -5.505 -2.493 0.268) 6.049 4.740 ( -2.771 2.146 1.112) 3.677 4.796 ( -2.414 -4.294 -0.311) 4.936 5.000 ( -3.991 -0.290 1.486) 4.269 5.032 ( -6.277 -3.290 1.509) 7.246 5.197 ( -2.214 2.109 -2.065) 3.690 5.230 ( -2.943 -1.162 -2.504) 4.035 5.545 ( -0.621 2.369 -1.245) 2.747 5.576 ( -0.103 -0.805 0.166) 0.829 5.613 ( -0.886 0.317 -2.040) 2.247 5.647 ( -1.269 -2.454 3.008) 4.084 5.861 ( -0.533 7.576 3.127) 8.213 6.002 ( -2.915 -4.061 -2.568) 5.620 6.053 ( 5.201 4.481 0.901) 6.924 6.104 ( 2.504 -0.045 -0.650) 2.587 6.120 ( -1.811 0.722 3.652) 4.140 6.165 ( 2.671 -1.251 -2.921) 4.151 6.344 ( -1.662 2.697 0.960) 3.311 6.352 ( -3.216 3.755 -1.665) 5.216 6.467 ( -2.265 0.435 4.276) 4.858 6.519 ( -1.338 -3.403 -0.089) 3.658 6.908 ( 1.523 -0.760 0.434) 1.756 6.962 ( 1.211 -4.623 1.764) 5.094 7.071 ( -2.738 1.219 -1.860) 3.528 7.118 ( -2.443 -3.101 -0.341) 3.963 7.372 ( -0.420 2.731 -2.758) 3.904 7.414 ( -0.809 -1.379 -3.266) 3.636 7.660 ( 2.189 1.786 -1.017) 3.003 7.687 ( 0.921 -0.683 0.088) 1.150 9.606 ( 0.847 0.291 0.276) 0.937 9.642 ( -0.945 -3.078 0.394) 3.244 9.905 ( 0.569 -0.626 0.370) 0.924 9.925 ( -0.060 -2.542 -0.105) 2.544 10.231 ( 1.967 4.217 1.325) 4.838 10.248 ( 1.388 3.086 0.283) 3.396 10.426 ( 2.967 -0.453 -0.503) 3.044 10.454 ( 4.420 -2.631 -5.203) 7.316 11.117 ( 1.670 2.254 0.694) 2.890 11.139 ( 0.947 0.099 -0.137) 0.962 11.712 ( 0.830 -0.252 0.425) 0.966 11.727 ( -1.030 -1.825 2.449) 3.223 18.534 ( 5.610 4.098 -2.506) 7.386 18.557 ( 2.740 2.888 0.227) 3.988 18.816 ( 2.441 0.093 0.475) 2.489 18.899 ( -3.132 -7.012 3.979) 8.649 19.490 ( 7.908 3.625 2.825) 9.147 19.521 ( 9.206 1.487 -0.109) 9.326 19.700 ( 1.610 -0.969 3.271) 3.773 19.762 ( 2.637 -6.155 -5.474) 8.649 20.749 ( 0.005 2.488 1.933) 3.151 20.783 ( -0.749 -0.849 1.140) 1.607 21.319 ( 1.126 0.648 0.472) 1.382 21.323 ( 1.154 0.217 -0.116) 1.180 ======================= Grid point 180 (104/108) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.690 0.564 2.301) 2.910 2.103 ( 1.905 -3.322 -1.592) 4.147 2.258 ( -1.521 0.208 1.758) 2.334 2.285 ( -1.354 -1.770 -0.280) 2.246 2.552 ( 1.801 6.321 3.454) 7.425 2.616 ( -1.798 1.504 -2.362) 3.327 2.775 ( -0.376 0.604 2.521) 2.619 2.803 ( -2.036 -0.766 -0.467) 2.225 2.939 ( 0.574 0.984 2.478) 2.728 2.962 ( 3.868 -0.994 0.456) 4.020 3.482 ( -2.329 0.752 2.741) 3.675 3.507 ( -0.105 -1.397 0.333) 1.439 3.799 ( 0.612 0.312 2.913) 2.993 3.806 ( -0.404 -0.491 2.502) 2.582 3.911 ( 0.175 1.626 0.417) 1.687 3.922 ( -1.318 0.876 -0.613) 1.697 4.399 ( 0.021 2.132 1.866) 2.833 4.425 ( 0.151 3.460 0.018) 3.464 4.471 ( 2.848 -4.640 1.965) 5.788 4.511 ( -2.174 -3.925 -0.538) 4.519 4.742 ( 1.172 -0.865 -0.479) 1.533 4.757 ( -0.807 -2.406 -1.458) 2.926 4.958 ( 0.534 -0.411 -0.181) 0.697 4.990 ( 2.685 -3.216 -2.686) 4.976 5.168 ( -1.731 1.370 0.550) 2.275 5.177 ( -1.673 0.647 -0.111) 1.797 5.513 ( -0.523 1.698 0.722) 1.917 5.550 ( -0.257 -0.864 -1.763) 1.980 5.639 ( 0.076 1.117 0.712) 1.327 5.658 ( 1.604 -0.042 0.269) 1.627 5.880 ( 2.381 3.046 0.904) 3.970 5.949 ( -1.703 -2.526 -4.582) 5.503 6.064 ( -2.771 3.012 5.481) 6.841 6.082 ( -1.876 0.073 5.631) 5.936 6.180 ( 3.500 5.190 -4.900) 7.950 6.217 ( 1.772 0.599 -5.171) 5.499 6.299 ( -1.242 2.181 2.217) 3.349 6.326 ( -0.391 1.566 -0.382) 1.659 6.441 ( -0.507 1.042 5.068) 5.199 6.520 ( 1.347 -4.075 -1.862) 4.678 6.937 ( 0.975 -1.783 1.555) 2.558 6.976 ( -0.638 -4.764 -1.260) 4.969 7.038 ( 0.354 1.316 1.346) 1.915 7.084 ( -0.375 -3.653 -1.536) 3.980 7.370 ( 0.222 1.956 -2.078) 2.863 7.395 ( -0.934 -0.443 -3.486) 3.636 7.688 ( -0.422 1.007 0.071) 1.095 7.696 ( 0.703 0.101 -1.140) 1.344 9.611 ( -0.832 -1.187 2.514) 2.902 9.615 ( -1.347 -1.694 2.160) 3.057 9.915 ( 0.336 -0.955 0.082) 1.016 9.926 ( 0.233 -2.115 -1.180) 2.434 10.239 ( -0.979 4.209 2.105) 4.807 10.270 ( 0.330 2.227 0.234) 2.264 10.468 ( 1.274 0.913 -4.033) 4.327 10.518 ( 2.247 -2.903 -7.068) 7.964 11.128 ( -0.857 1.559 2.572) 3.128 11.138 ( -1.100 0.622 1.643) 2.072 11.710 ( -0.779 0.046 2.031) 2.176 11.729 ( 0.860 -1.798 0.318) 2.018 18.535 ( -3.416 5.055 4.709) 7.707 18.598 ( -0.647 0.571 0.451) 0.974 18.850 ( 0.748 -0.122 -1.019) 1.270 18.919 ( 5.630 -5.224 -5.754) 9.597 19.546 ( -2.708 4.117 5.581) 7.445 19.620 ( -0.781 -1.553 2.505) 3.049 19.724 ( 1.830 1.391 -2.142) 3.142 19.821 ( 2.892 -6.464 -7.235) 10.124 20.759 ( 0.689 1.437 1.684) 2.319 20.774 ( -0.099 0.018 0.396) 0.409 21.329 ( -0.231 1.082 0.551) 1.236 21.341 ( 0.386 -0.052 -0.476) 0.616 ======================= Grid point 181 (105/108) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -4.616 4.188 2.568) 6.741 2.121 ( -0.335 -5.969 -2.662) 6.544 2.196 ( -4.164 2.820 -0.686) 5.076 2.268 ( -1.547 -3.822 2.679) 4.917 2.518 ( -4.842 7.224 2.036) 8.932 2.546 ( -5.306 4.943 -0.779) 7.294 2.731 ( -3.110 -1.183 3.273) 4.667 2.743 ( -3.261 -2.612 -0.085) 4.179 2.952 ( 0.183 2.559 -0.996) 2.752 3.016 ( 0.468 -3.389 -1.418) 3.703 3.394 ( -5.351 2.209 3.551) 6.791 3.470 ( -3.963 -4.488 3.037) 6.713 3.760 ( -2.891 1.303 1.950) 3.723 3.792 ( -2.124 -1.459 4.143) 4.879 3.887 ( -2.180 2.790 -0.237) 3.549 3.923 ( 0.176 -0.681 -0.093) 0.710 4.323 ( -2.564 4.057 0.146) 4.802 4.418 ( -2.537 -4.846 -1.834) 5.769 4.560 ( 7.858 1.942 0.977) 8.153 4.610 ( 5.311 -3.335 1.088) 6.365 4.767 ( 3.984 0.591 -1.586) 4.328 4.805 ( 4.246 -3.370 -0.682) 5.464 5.049 ( 7.121 0.235 -2.781) 7.648 5.089 ( 6.165 -2.762 -3.051) 7.413 5.133 ( -0.691 1.739 3.223) 3.727 5.161 ( 0.465 -1.031 3.288) 3.477 5.521 ( 0.048 4.179 0.686) 4.235 5.588 ( 3.150 4.863 0.470) 5.813 5.631 ( 0.697 -4.330 -2.517) 5.057 5.689 ( 2.187 -3.058 -0.415) 3.783 5.905 ( -2.098 1.624 -1.247) 2.931 5.947 ( 1.041 -2.341 1.972) 3.233 6.022 ( -0.521 5.993 -0.131) 6.017 6.044 ( -0.788 1.220 1.224) 1.899 6.179 ( -1.970 2.606 -1.752) 3.706 6.259 ( 1.714 0.386 -4.531) 4.860 6.284 ( -0.666 0.060 4.565) 4.614 6.329 ( 0.265 1.012 -0.242) 1.074 6.467 ( 2.898 2.839 3.704) 5.494 6.562 ( 2.784 -3.629 -1.753) 4.898 6.930 ( -1.253 -0.986 -0.667) 1.728 6.967 ( 0.157 -3.803 0.314) 3.819 7.059 ( 1.508 2.136 0.456) 2.654 7.126 ( 4.191 -4.282 -1.202) 6.112 7.371 ( -0.330 0.971 -1.905) 2.164 7.380 ( 0.189 0.011 -1.806) 1.816 7.658 ( -2.265 2.430 -0.432) 3.350 7.697 ( -0.779 -1.360 -1.060) 1.892 9.570 ( -2.504 -0.201 3.287) 4.137 9.597 ( -1.387 -3.065 4.240) 5.413 9.919 ( 0.179 -0.526 -0.533) 0.770 9.931 ( 0.286 -1.747 -1.019) 2.043 10.200 ( -2.915 4.683 1.460) 5.706 10.255 ( -1.781 0.215 -0.007) 1.793 10.471 ( -0.712 2.252 -6.551) 6.964 10.536 ( -0.091 -2.969 -8.174) 8.697 11.084 ( -3.460 1.665 3.965) 5.519 11.098 ( -3.031 0.293 3.504) 4.643 11.697 ( -0.702 1.616 1.783) 2.506 11.747 ( 0.830 -3.343 0.613) 3.499 18.443 ( -5.634 4.133 4.198) 8.151 18.526 ( -5.744 -3.051 3.420) 7.348 18.892 ( 2.613 5.823 -6.240) 8.926 19.033 ( 5.030 -7.278 -7.034) 11.303 19.418 ( -9.368 4.734 4.842) 11.559 19.507 ( -9.152 -3.352 3.986) 10.530 19.757 ( 0.700 2.230 -4.863) 5.395 19.843 ( -0.464 -5.723 -8.075) 9.909 20.767 ( 0.162 1.652 0.412) 1.711 20.788 ( 1.318 -0.424 0.462) 1.459 21.312 ( -1.237 1.872 0.394) 2.278 21.338 ( -0.536 -0.514 -0.647) 0.985 ======================= Grid point 182 (106/108) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -3.884 8.311 7.836) 12.065 2.086 ( -3.667 -3.114 -1.934) 5.186 2.129 ( -0.463 -0.798 -5.073) 5.156 2.203 ( -4.923 -1.622 3.100) 6.040 2.387 ( -7.327 7.109 4.856) 11.305 2.410 ( -6.988 8.010 -5.239) 11.851 2.646 ( -6.202 -3.783 2.712) 7.755 2.664 ( -4.615 -3.975 0.113) 6.092 2.949 ( -0.286 0.540 -2.804) 2.870 2.985 ( -2.402 -2.792 -2.437) 4.417 3.272 ( -7.097 2.439 3.451) 8.260 3.351 ( -7.913 -4.567 5.094) 10.460 3.706 ( -2.316 1.322 2.538) 3.681 3.738 ( -3.021 -1.668 4.963) 6.044 3.830 ( -3.169 3.208 -0.866) 4.591 3.899 ( -2.512 -3.052 -2.219) 4.533 4.313 ( 1.683 4.315 -0.027) 4.632 4.396 ( 0.858 -3.718 -2.386) 4.500 4.685 ( 4.085 0.571 1.170) 4.287 4.724 ( 6.053 -2.940 -0.039) 6.730 4.893 ( 6.651 0.742 -0.474) 6.709 4.906 ( 4.954 -0.810 1.136) 5.147 5.144 ( 3.617 0.668 1.726) 4.063 5.167 ( 4.191 -1.016 2.673) 5.074 5.242 ( 8.580 -0.825 -0.591) 8.640 5.258 ( 7.184 -1.772 -1.104) 7.481 5.493 ( -2.147 7.382 1.521) 7.837 5.608 ( -0.350 0.343 -2.903) 2.944 5.695 ( 2.943 -2.627 -2.185) 4.510 5.771 ( 3.539 -5.690 -0.817) 6.751 5.848 ( -1.119 4.798 1.342) 5.106 5.913 ( -1.513 -1.066 2.858) 3.404 6.038 ( 0.556 5.957 -2.322) 6.417 6.085 ( 3.760 1.723 -3.287) 5.283 6.131 ( -2.609 -0.447 1.256) 2.930 6.257 ( -0.247 -7.193 -2.051) 7.484 6.296 ( 0.731 3.656 2.853) 4.695 6.336 ( 0.719 0.163 1.618) 1.778 6.546 ( 4.081 4.115 3.792) 6.926 6.632 ( 4.325 -2.846 -1.400) 5.363 6.914 ( -0.084 0.529 -1.773) 1.853 6.969 ( 0.216 -4.127 -0.771) 4.204 7.110 ( 3.197 5.560 -0.014) 6.413 7.221 ( 4.323 -4.041 -3.792) 7.028 7.386 ( 2.940 0.558 0.048) 2.993 7.398 ( 1.969 -0.691 -0.099) 2.089 7.605 ( -2.578 3.548 -0.465) 4.410 7.669 ( -1.573 -2.482 -0.963) 3.092 9.518 ( -2.678 0.627 3.614) 4.542 9.564 ( -2.036 -4.089 5.379) 7.057 9.921 ( -0.226 0.304 -1.652) 1.695 9.934 ( 0.128 -0.881 0.371) 0.965 10.126 ( -4.204 4.169 0.524) 5.944 10.198 ( -3.736 -2.173 -0.552) 4.357 10.432 ( -2.655 3.517 -8.161) 9.275 10.506 ( -2.305 -2.929 -8.604) 9.377 11.005 ( -4.161 1.972 5.111) 6.880 11.026 ( -3.927 -0.242 5.250) 6.561 11.677 ( -1.570 2.984 1.805) 3.825 11.756 ( -0.294 -4.848 1.283) 5.024 18.313 ( -7.321 3.032 2.564) 8.329 18.388 ( -7.813 -3.735 2.240) 8.944 18.901 ( -2.928 6.822 -5.691) 9.354 19.044 ( -6.930 -6.839 -4.392) 10.681 19.230 ( -7.084 4.977 2.942) 9.144 19.326 ( -5.444 -3.738 0.426) 6.618 19.741 ( -1.763 0.720 -5.627) 5.941 19.795 ( -3.476 -4.238 -9.589) 11.045 20.777 ( 0.978 2.805 0.252) 2.981 20.821 ( 1.796 -1.552 -0.039) 2.373 21.291 ( -0.633 2.580 0.124) 2.659 21.327 ( -0.184 -0.916 -1.146) 1.479 ======================= Grid point 183 (107/108) ======================= q-point: (-0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -2.773 10.874 13.910) 17.873 2.024 ( -2.641 3.032 -3.146) 5.105 2.063 ( -6.748 0.690 8.302) 10.721 2.146 ( -0.485 -2.509 -5.136) 5.736 2.272 ( -2.918 4.177 1.616) 5.346 2.298 ( -2.604 10.353 -9.681) 14.411 2.499 ( -7.450 -5.913 3.951) 10.300 2.549 ( -6.209 -6.740 -4.565) 10.238 2.902 ( -4.111 1.961 -5.431) 7.088 2.963 ( 0.222 -3.335 -3.830) 5.083 3.113 ( -8.896 1.359 7.363) 11.628 3.173 ( -8.511 -3.465 7.350) 11.767 3.659 ( -2.581 1.469 6.331) 6.993 3.694 ( -1.567 -1.864 4.548) 5.159 3.774 ( -1.765 1.965 -3.048) 4.033 3.838 ( -2.390 -3.971 -5.664) 7.319 4.391 ( 5.718 4.571 0.374) 7.330 4.454 ( 4.668 -1.568 -1.874) 5.269 4.759 ( 3.189 -0.557 1.248) 3.469 4.809 ( 2.151 -4.964 0.557) 5.439 5.000 ( 4.415 1.113 1.766) 4.883 5.007 ( 4.238 0.415 1.627) 4.558 5.207 ( 0.916 4.677 -0.130) 4.768 5.276 ( 4.426 -2.025 0.481) 4.891 5.349 ( -0.881 4.496 -0.663) 4.629 5.394 ( 5.198 -1.360 0.364) 5.385 5.498 ( 4.735 3.358 2.678) 6.393 5.597 ( -0.148 -2.398 -2.848) 3.726 5.710 ( 1.284 -2.267 -3.267) 4.178 5.746 ( -0.860 -6.340 2.438) 6.847 5.908 ( 1.947 5.109 1.986) 5.817 5.963 ( 4.756 0.187 -2.526) 5.388 6.033 ( -0.765 2.777 0.449) 2.915 6.073 ( -2.737 -2.202 2.385) 4.246 6.167 ( 4.305 2.442 -3.391) 6.000 6.275 ( 2.009 -5.408 -0.463) 5.788 6.311 ( 0.926 1.366 1.259) 2.075 6.358 ( 0.800 -1.784 3.949) 4.406 6.623 ( 2.995 5.421 3.103) 6.927 6.726 ( 4.030 -3.955 -0.804) 5.703 6.924 ( 1.209 2.141 -2.638) 3.606 6.988 ( 1.881 -3.078 -2.028) 4.139 7.161 ( 1.357 6.090 -1.411) 6.397 7.272 ( 1.140 -3.151 -4.752) 5.815 7.470 ( 5.333 1.623 2.016) 5.928 7.509 ( 6.357 -1.423 1.083) 6.604 7.571 ( 0.619 4.928 -0.953) 5.057 7.658 ( 1.830 -3.293 -1.401) 4.019 9.472 ( -1.826 1.253 3.220) 3.908 9.527 ( -1.679 -4.355 5.482) 7.200 9.888 ( -3.250 3.582 -2.425) 5.410 9.942 ( 0.507 -1.101 0.858) 1.485 10.041 ( -3.956 1.683 0.044) 4.299 10.109 ( -4.501 -4.448 -0.118) 6.329 10.356 ( -4.117 4.455 -8.675) 10.585 10.434 ( -4.229 -2.867 -8.236) 9.692 10.945 ( -1.370 1.666 5.484) 5.893 10.965 ( -1.860 -0.326 6.247) 6.527 11.628 ( -3.357 3.815 1.951) 5.444 11.725 ( -3.051 -5.806 2.002) 6.857 18.154 ( -7.982 2.181 0.837) 8.316 18.218 ( -8.486 -3.825 -0.073) 9.309 18.731 ( -11.934 3.182 -1.033) 12.394 18.798 ( -13.686 -3.048 -0.385) 14.027 19.144 ( -1.763 7.883 -1.755) 8.266 19.306 ( 0.169 -7.843 -3.263) 8.496 19.687 ( -2.829 -0.252 -7.546) 8.063 19.711 ( -3.530 -2.347 -8.809) 9.776 20.806 ( 1.736 3.571 0.621) 4.019 20.856 ( 1.509 -1.395 -0.242) 2.069 21.292 ( 0.734 2.742 -0.313) 2.856 21.334 ( 0.895 -1.290 -2.068) 2.597 ======================= Grid point 184 (108/108) ======================= q-point: (-0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -1.335 10.712 16.762) 19.937 1.897 ( -6.447 14.904 10.746) 19.472 2.020 ( -0.127 -2.293 -0.923) 2.475 2.083 ( -4.673 -7.060 7.072) 11.031 2.256 ( -2.886 8.688 -6.866) 11.444 2.292 ( 3.601 3.622 -8.274) 9.723 2.396 ( -3.286 -4.425 -6.365) 8.419 2.428 ( -3.617 -7.156 -5.347) 9.637 2.828 ( -1.328 6.038 -5.574) 8.324 2.863 ( -10.834 3.107 8.993) 14.418 3.033 ( 2.815 -6.333 -4.232) 8.121 3.043 ( -5.427 -6.401 8.958) 12.275 3.626 ( -0.998 1.452 5.596) 5.866 3.667 ( -1.204 -2.872 5.782) 6.567 3.761 ( 0.660 1.346 -4.557) 4.797 3.822 ( 1.109 -4.734 -7.807) 9.198 4.532 ( 7.458 5.726 0.533) 9.418 4.556 ( 4.646 2.838 -0.330) 5.454 4.814 ( 0.498 -2.201 0.888) 2.425 4.836 ( 2.629 -4.991 0.130) 5.642 5.039 ( -0.507 4.875 1.136) 5.031 5.079 ( 1.422 0.277 -0.408) 1.505 5.165 ( -3.835 2.525 0.319) 4.603 5.223 ( -7.123 -1.215 0.456) 7.240 5.358 ( 2.520 2.409 0.010) 3.486 5.436 ( 0.015 -3.215 -0.712) 3.292 5.607 ( 3.636 0.442 1.979) 4.163 5.623 ( 2.062 -0.852 0.943) 2.422 5.783 ( 4.717 0.070 -0.149) 4.720 5.808 ( 4.582 -3.395 0.503) 5.725 5.921 ( 1.067 2.216 4.694) 5.299 5.985 ( -1.945 -2.879 4.893) 6.001 6.036 ( -0.487 2.225 -1.917) 2.977 6.053 ( 1.736 0.467 -2.319) 2.934 6.235 ( 1.719 3.157 -1.174) 3.782 6.326 ( 2.868 -1.915 2.817) 4.453 6.333 ( -0.507 -3.088 -3.830) 4.946 6.373 ( 1.905 -2.476 4.137) 5.184 6.666 ( 1.169 4.190 2.555) 5.045 6.759 ( -0.747 -4.510 -0.912) 4.661 6.965 ( 2.666 4.336 -3.165) 5.993 7.027 ( 1.121 -0.433 -3.063) 3.291 7.176 ( 0.918 3.029 -0.820) 3.269 7.268 ( -1.178 -4.004 -3.313) 5.329 7.541 ( 1.479 2.045 2.804) 3.773 7.564 ( 1.881 0.694 0.757) 2.143 7.689 ( 7.449 4.970 0.236) 8.958 7.772 ( 6.849 -2.505 -3.293) 8.002 9.460 ( 0.837 1.720 1.898) 2.695 9.512 ( 0.045 -3.338 3.806) 5.063 9.794 ( -4.788 4.928 -2.380) 7.272 9.915 ( -5.060 -6.717 -4.739) 9.653 9.982 ( -0.048 3.576 4.426) 5.690 10.054 ( -0.730 -3.828 2.462) 4.609 10.266 ( -3.876 3.978 -7.581) 9.398 10.330 ( -5.266 -2.232 -6.692) 8.803 10.962 ( 2.007 1.024 5.451) 5.898 10.980 ( 3.453 -0.667 3.529) 4.982 11.552 ( -3.519 3.087 1.940) 5.067 11.635 ( -5.407 -5.153 1.758) 7.674 18.015 ( -5.058 1.393 0.496) 5.269 18.067 ( -5.734 -3.533 -1.739) 6.955 18.503 ( -8.839 1.171 -0.294) 8.921 18.546 ( -10.280 -2.990 0.128) 10.707 19.125 ( -0.315 7.460 -1.064) 7.542 19.264 ( -4.154 -6.106 -2.888) 7.930 19.642 ( -0.610 -0.962 -9.192) 9.262 19.649 ( -2.368 -1.537 -5.125) 5.851 20.842 ( 1.565 3.604 1.047) 4.066 20.877 ( 0.433 0.203 0.157) 0.503 21.311 ( 0.829 2.421 -0.261) 2.572 21.353 ( 0.839 -1.751 -3.023) 3.593 =================== 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 3/25200 10.0 307.900 282.085 185.877 0.000 -55.506 0.000 3/25200 20.0 92.038 86.974 70.692 0.000 -17.595 0.000 3/25200 30.0 42.847 41.250 35.326 0.000 -7.322 0.000 3/25200 40.0 24.471 24.056 21.046 0.000 -3.866 0.000 3/25200 50.0 15.956 15.914 14.092 0.000 -2.399 0.000 3/25200 60.0 11.450 11.515 10.281 0.000 -1.668 0.000 3/25200 70.0 8.799 8.889 7.985 0.000 -1.254 0.000 3/25200 80.0 7.102 7.192 6.492 0.000 -0.996 0.000 3/25200 90.0 5.941 6.025 5.459 0.000 -0.823 0.000 3/25200 100.0 5.105 5.181 4.710 0.000 -0.701 0.000 3/25200 110.0 4.478 4.546 4.145 0.000 -0.609 0.000 3/25200 120.0 3.993 4.053 3.706 0.000 -0.539 0.000 3/25200 130.0 3.607 3.661 3.355 0.000 -0.484 0.000 3/25200 140.0 3.293 3.341 3.070 0.000 -0.439 0.000 3/25200 150.0 3.034 3.076 2.833 0.000 -0.402 0.000 3/25200 160.0 2.816 2.854 2.634 0.000 -0.371 0.000 3/25200 170.0 2.630 2.664 2.464 0.000 -0.344 0.000 3/25200 180.0 2.470 2.500 2.318 0.000 -0.321 0.000 3/25200 190.0 2.330 2.357 2.190 0.000 -0.301 0.000 3/25200 200.0 2.208 2.232 2.078 0.000 -0.284 0.000 3/25200 210.0 2.099 2.120 1.978 0.000 -0.268 0.000 3/25200 220.0 2.002 2.021 1.889 0.000 -0.254 0.000 3/25200 230.0 1.914 1.931 1.809 0.000 -0.242 0.000 3/25200 240.0 1.835 1.850 1.736 0.000 -0.230 0.000 3/25200 250.0 1.763 1.776 1.670 0.000 -0.220 0.000 3/25200 260.0 1.696 1.709 1.609 0.000 -0.211 0.000 3/25200 270.0 1.635 1.647 1.553 0.000 -0.202 0.000 3/25200 280.0 1.579 1.590 1.502 0.000 -0.195 0.000 3/25200 290.0 1.527 1.536 1.454 0.000 -0.187 0.000 3/25200 300.0 1.478 1.487 1.409 0.000 -0.181 0.000 3/25200 310.0 1.433 1.441 1.367 0.000 -0.174 0.000 3/25200 320.0 1.391 1.398 1.328 0.000 -0.169 0.000 3/25200 330.0 1.351 1.358 1.291 0.000 -0.163 0.000 3/25200 340.0 1.313 1.320 1.257 0.000 -0.158 0.000 3/25200 350.0 1.278 1.284 1.224 0.000 -0.153 0.000 3/25200 360.0 1.244 1.250 1.193 0.000 -0.149 0.000 3/25200 370.0 1.213 1.218 1.163 0.000 -0.145 0.000 3/25200 380.0 1.183 1.188 1.136 0.000 -0.141 0.000 3/25200 390.0 1.154 1.159 1.109 0.000 -0.137 0.000 3/25200 400.0 1.127 1.131 1.084 0.000 -0.133 0.000 3/25200 410.0 1.101 1.105 1.060 0.000 -0.130 0.000 3/25200 420.0 1.077 1.081 1.036 0.000 -0.127 0.000 3/25200 430.0 1.053 1.057 1.014 0.000 -0.124 0.000 3/25200 440.0 1.030 1.034 0.993 0.000 -0.121 0.000 3/25200 450.0 1.009 1.012 0.973 0.000 -0.118 0.000 3/25200 460.0 0.988 0.992 0.954 0.000 -0.115 0.000 3/25200 470.0 0.968 0.972 0.935 0.000 -0.113 0.000 3/25200 480.0 0.949 0.952 0.917 0.000 -0.110 0.000 3/25200 490.0 0.931 0.934 0.900 0.000 -0.108 0.000 3/25200 500.0 0.913 0.916 0.883 0.000 -0.106 0.000 3/25200 510.0 0.896 0.899 0.867 0.000 -0.104 0.000 3/25200 520.0 0.880 0.883 0.852 0.000 -0.102 0.000 3/25200 530.0 0.864 0.867 0.837 0.000 -0.100 0.000 3/25200 540.0 0.849 0.852 0.822 0.000 -0.098 0.000 3/25200 550.0 0.834 0.837 0.808 0.000 -0.096 0.000 3/25200 560.0 0.820 0.823 0.795 0.000 -0.094 0.000 3/25200 570.0 0.806 0.809 0.782 0.000 -0.093 0.000 3/25200 580.0 0.793 0.796 0.769 0.000 -0.091 0.000 3/25200 590.0 0.780 0.783 0.757 0.000 -0.089 0.000 3/25200 600.0 0.768 0.770 0.745 0.000 -0.088 0.000 3/25200 610.0 0.756 0.758 0.734 0.000 -0.086 0.000 3/25200 620.0 0.744 0.746 0.723 0.000 -0.085 0.000 3/25200 630.0 0.733 0.735 0.712 0.000 -0.084 0.000 3/25200 640.0 0.722 0.724 0.702 0.000 -0.082 0.000 3/25200 650.0 0.711 0.713 0.691 0.000 -0.081 0.000 3/25200 660.0 0.701 0.703 0.681 0.000 -0.080 0.000 3/25200 670.0 0.691 0.693 0.672 0.000 -0.079 0.000 3/25200 680.0 0.681 0.683 0.663 0.000 -0.077 0.000 3/25200 690.0 0.671 0.674 0.653 0.000 -0.076 0.000 3/25200 700.0 0.662 0.664 0.645 0.000 -0.075 0.000 3/25200 710.0 0.653 0.655 0.636 0.000 -0.074 0.000 3/25200 720.0 0.644 0.647 0.628 0.000 -0.073 0.000 3/25200 730.0 0.636 0.638 0.619 0.000 -0.072 0.000 3/25200 740.0 0.628 0.630 0.611 0.000 -0.071 0.000 3/25200 750.0 0.619 0.622 0.604 0.000 -0.070 0.000 3/25200 760.0 0.612 0.614 0.596 0.000 -0.069 0.000 3/25200 770.0 0.604 0.606 0.589 0.000 -0.068 0.000 3/25200 780.0 0.596 0.599 0.582 0.000 -0.067 0.000 3/25200 790.0 0.589 0.591 0.575 0.000 -0.067 0.000 3/25200 800.0 0.582 0.584 0.568 0.000 -0.066 0.000 3/25200 810.0 0.575 0.577 0.561 0.000 -0.065 0.000 3/25200 820.0 0.568 0.570 0.554 0.000 -0.064 0.000 3/25200 830.0 0.561 0.564 0.548 0.000 -0.063 0.000 3/25200 840.0 0.555 0.557 0.542 0.000 -0.063 0.000 3/25200 850.0 0.549 0.551 0.536 0.000 -0.062 0.000 3/25200 860.0 0.542 0.545 0.530 0.000 -0.061 0.000 3/25200 870.0 0.536 0.538 0.524 0.000 -0.060 0.000 3/25200 880.0 0.530 0.533 0.518 0.000 -0.060 0.000 3/25200 890.0 0.525 0.527 0.512 0.000 -0.059 0.000 3/25200 900.0 0.519 0.521 0.507 0.000 -0.058 0.000 3/25200 910.0 0.513 0.515 0.502 0.000 -0.058 0.000 3/25200 920.0 0.508 0.510 0.496 0.000 -0.057 0.000 3/25200 930.0 0.503 0.505 0.491 0.000 -0.057 0.000 3/25200 940.0 0.497 0.499 0.486 0.000 -0.056 0.000 3/25200 950.0 0.492 0.494 0.481 0.000 -0.055 0.000 3/25200 960.0 0.487 0.489 0.476 0.000 -0.055 0.000 3/25200 970.0 0.482 0.484 0.472 0.000 -0.054 0.000 3/25200 980.0 0.478 0.480 0.467 0.000 -0.054 0.000 3/25200 990.0 0.473 0.475 0.462 0.000 -0.053 0.000 3/25200 1000.0 0.468 0.470 0.458 0.000 -0.053 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m1057.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:23:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|