----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:02:34]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749108940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.035128260000000 Atomic positions (fractional): *1 O 0.74425107756153 0.87811568742273 0.42156686647804 15.999 2 O 0.75574892243847 0.62188431257727 0.92156686647804 15.999 3 O 0.25574892243847 0.87811568742273 0.07843313352196 15.999 4 O 0.24425107756153 0.62188431257727 0.57843313352196 15.999 5 O 0.25574892243847 0.12188431257727 0.57843313352196 15.999 6 O 0.24425107756153 0.37811568742273 0.07843313352196 15.999 7 O 0.74425107756153 0.12188431257727 0.92156686647804 15.999 8 O 0.75574892243847 0.37811568742273 0.42156686647804 15.999 *9 O 0.07880871152889 0.88472495721897 0.41439499239094 15.999 10 O 0.42119128847111 0.61527504278103 0.91439499239094 15.999 11 O 0.92119128847111 0.88472495721897 0.08560500760906 15.999 12 O 0.57880871152889 0.61527504278103 0.58560500760906 15.999 *13 O 0.09523636654274 0.39434743420668 0.42341694845118 15.999 14 O 0.40476363345726 0.10565256579333 0.92341694845119 15.999 15 O 0.90476363345726 0.39434743420668 0.07658305154882 15.999 16 O 0.59523636654274 0.10565256579333 0.57658305154881 15.999 17 O 0.90476363345726 0.60565256579333 0.57658305154881 15.999 18 O 0.59523636654274 0.89434743420667 0.07658305154882 15.999 19 O 0.09523636654274 0.60565256579333 0.92341694845119 15.999 20 O 0.40476363345726 0.89434743420667 0.42341694845118 15.999 21 O 0.42119128847111 0.38472495721897 0.41439499239094 15.999 22 O 0.07880871152889 0.11527504278103 0.91439499239094 15.999 23 O 0.57880871152889 0.38472495721897 0.08560500760906 15.999 24 O 0.92119128847111 0.11527504278103 0.58560500760906 15.999 *25 Zn 0.00000000000000 0.16937825760800 0.25000000000000 65.380 26 Zn 0.50000000000000 0.33062174239200 0.75000000000000 65.380 27 Zn 0.00000000000000 0.83062174239200 0.75000000000000 65.380 28 Zn 0.50000000000000 0.66937825760800 0.25000000000000 65.380 *29 Nb 0.65972995527698 0.18361418891971 0.24961905349261 92.906 30 Nb 0.84027004472302 0.31638581108029 0.74961905349261 92.906 31 Nb 0.34027004472302 0.18361418891971 0.25038094650739 92.906 32 Nb 0.15972995527698 0.31638581108029 0.75038094650739 92.906 33 Nb 0.84027004472302 0.68361418891971 0.24961905349261 92.906 34 Nb 0.65972995527698 0.81638581108029 0.74961905349261 92.906 35 Nb 0.15972995527698 0.68361418891971 0.25038094650739 92.906 36 Nb 0.34027004472302 0.81638581108029 0.75038094650739 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749108940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.035128260000000 Atomic positions (fractional): *1 O 0.74425107756153 0.87811568742273 0.42156686647804 15.999 > 1 2 O 0.75574892243847 0.62188431257727 0.92156686647804 15.999 > 2 3 O 0.25574892243847 0.87811568742273 0.07843313352196 15.999 > 3 4 O 0.24425107756153 0.62188431257727 0.57843313352196 15.999 > 4 5 O 0.25574892243847 0.12188431257727 0.57843313352196 15.999 > 5 6 O 0.24425107756153 0.37811568742273 0.07843313352196 15.999 > 6 7 O 0.74425107756153 0.12188431257727 0.92156686647804 15.999 > 7 8 O 0.75574892243847 0.37811568742273 0.42156686647804 15.999 > 8 *9 O 0.07880871152889 0.88472495721897 0.41439499239094 15.999 > 9 10 O 0.42119128847111 0.61527504278103 0.91439499239094 15.999 > 10 11 O 0.92119128847111 0.88472495721897 0.08560500760906 15.999 > 11 12 O 0.57880871152889 0.61527504278103 0.58560500760906 15.999 > 12 *13 O 0.09523636654274 0.39434743420668 0.42341694845118 15.999 > 13 14 O 0.40476363345726 0.10565256579333 0.92341694845119 15.999 > 14 15 O 0.90476363345726 0.39434743420668 0.07658305154882 15.999 > 15 16 O 0.59523636654274 0.10565256579333 0.57658305154881 15.999 > 16 17 O 0.90476363345726 0.60565256579333 0.57658305154881 15.999 > 17 18 O 0.59523636654274 0.89434743420667 0.07658305154882 15.999 > 18 19 O 0.09523636654274 0.60565256579333 0.92341694845119 15.999 > 19 20 O 0.40476363345726 0.89434743420667 0.42341694845118 15.999 > 20 21 O 0.42119128847111 0.38472495721897 0.41439499239094 15.999 > 21 22 O 0.07880871152889 0.11527504278103 0.91439499239094 15.999 > 22 23 O 0.57880871152889 0.38472495721897 0.08560500760906 15.999 > 23 24 O 0.92119128847111 0.11527504278103 0.58560500760906 15.999 > 24 *25 Zn 0.00000000000000 0.16937825760800 0.25000000000000 65.380 > 25 26 Zn 0.50000000000000 0.33062174239200 0.75000000000000 65.380 > 26 27 Zn 0.00000000000000 0.83062174239200 0.75000000000000 65.380 > 27 28 Zn 0.50000000000000 0.66937825760800 0.25000000000000 65.380 > 28 *29 Nb 0.65972995527698 0.18361418891971 0.24961905349261 92.906 > 29 30 Nb 0.84027004472302 0.31638581108029 0.74961905349261 92.906 > 30 31 Nb 0.34027004472302 0.18361418891971 0.25038094650739 92.906 > 31 32 Nb 0.15972995527698 0.31638581108029 0.75038094650739 92.906 > 32 33 Nb 0.84027004472302 0.68361418891971 0.24961905349261 92.906 > 33 34 Nb 0.65972995527698 0.81638581108029 0.74961905349261 92.906 > 34 35 Nb 0.15972995527698 0.68361418891971 0.25038094650739 92.906 > 35 36 Nb 0.34027004472302 0.81638581108029 0.75038094650739 92.906 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.498217880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.070256519999999 Atomic positions (fractional): *1 O 0.74425107756153 0.43905784371137 0.21078343323902 15.999 > 1 2 O 0.74425107756153 0.93905784371137 0.21078343323902 15.999 > 1 3 O 0.74425107756153 0.43905784371137 0.71078343323902 15.999 > 1 4 O 0.74425107756153 0.93905784371137 0.71078343323902 15.999 > 1 5 O 0.75574892243847 0.31094215628863 0.46078343323902 15.999 > 2 6 O 0.75574892243847 0.81094215628863 0.46078343323902 15.999 > 2 7 O 0.75574892243847 0.31094215628863 0.96078343323902 15.999 > 2 8 O 0.75574892243847 0.81094215628863 0.96078343323902 15.999 > 2 9 O 0.25574892243847 0.43905784371137 0.03921656676098 15.999 > 3 10 O 0.25574892243847 0.93905784371137 0.03921656676098 15.999 > 3 11 O 0.25574892243847 0.43905784371137 0.53921656676098 15.999 > 3 12 O 0.25574892243847 0.93905784371137 0.53921656676098 15.999 > 3 13 O 0.24425107756153 0.31094215628863 0.28921656676098 15.999 > 4 14 O 0.24425107756153 0.81094215628863 0.28921656676098 15.999 > 4 15 O 0.24425107756153 0.31094215628863 0.78921656676098 15.999 > 4 16 O 0.24425107756153 0.81094215628863 0.78921656676098 15.999 > 4 17 O 0.25574892243847 0.06094215628863 0.28921656676098 15.999 > 5 18 O 0.25574892243847 0.56094215628863 0.28921656676098 15.999 > 5 19 O 0.25574892243847 0.06094215628863 0.78921656676098 15.999 > 5 20 O 0.25574892243847 0.56094215628863 0.78921656676098 15.999 > 5 21 O 0.24425107756153 0.18905784371137 0.03921656676098 15.999 > 6 22 O 0.24425107756153 0.68905784371137 0.03921656676098 15.999 > 6 23 O 0.24425107756153 0.18905784371137 0.53921656676098 15.999 > 6 24 O 0.24425107756153 0.68905784371137 0.53921656676098 15.999 > 6 25 O 0.74425107756153 0.06094215628863 0.46078343323902 15.999 > 7 26 O 0.74425107756153 0.56094215628863 0.46078343323902 15.999 > 7 27 O 0.74425107756153 0.06094215628863 0.96078343323902 15.999 > 7 28 O 0.74425107756153 0.56094215628863 0.96078343323902 15.999 > 7 29 O 0.75574892243847 0.18905784371137 0.21078343323902 15.999 > 8 30 O 0.75574892243847 0.68905784371137 0.21078343323902 15.999 > 8 31 O 0.75574892243847 0.18905784371137 0.71078343323902 15.999 > 8 32 O 0.75574892243847 0.68905784371137 0.71078343323902 15.999 > 8 *33 O 0.07880871152889 0.44236247860948 0.20719749619547 15.999 > 9 34 O 0.07880871152889 0.94236247860948 0.20719749619547 15.999 > 9 35 O 0.07880871152889 0.44236247860948 0.70719749619547 15.999 > 9 36 O 0.07880871152889 0.94236247860948 0.70719749619547 15.999 > 9 37 O 0.42119128847111 0.30763752139052 0.45719749619547 15.999 > 10 38 O 0.42119128847111 0.80763752139052 0.45719749619547 15.999 > 10 39 O 0.42119128847111 0.30763752139052 0.95719749619547 15.999 > 10 40 O 0.42119128847111 0.80763752139052 0.95719749619547 15.999 > 10 41 O 0.92119128847111 0.44236247860948 0.04280250380453 15.999 > 11 42 O 0.92119128847111 0.94236247860948 0.04280250380453 15.999 > 11 43 O 0.92119128847111 0.44236247860948 0.54280250380453 15.999 > 11 44 O 0.92119128847111 0.94236247860948 0.54280250380453 15.999 > 11 45 O 0.57880871152889 0.30763752139052 0.29280250380453 15.999 > 12 46 O 0.57880871152889 0.80763752139052 0.29280250380453 15.999 > 12 47 O 0.57880871152889 0.30763752139052 0.79280250380453 15.999 > 12 48 O 0.57880871152889 0.80763752139052 0.79280250380453 15.999 > 12 *49 O 0.09523636654274 0.19717371710334 0.21170847422559 15.999 > 13 50 O 0.09523636654274 0.69717371710334 0.21170847422559 15.999 > 13 51 O 0.09523636654274 0.19717371710334 0.71170847422559 15.999 > 13 52 O 0.09523636654274 0.69717371710334 0.71170847422559 15.999 > 13 53 O 0.40476363345726 0.05282628289666 0.46170847422559 15.999 > 14 54 O 0.40476363345726 0.55282628289666 0.46170847422559 15.999 > 14 55 O 0.40476363345726 0.05282628289666 0.96170847422559 15.999 > 14 56 O 0.40476363345726 0.55282628289666 0.96170847422559 15.999 > 14 57 O 0.90476363345726 0.19717371710334 0.03829152577441 15.999 > 15 58 O 0.90476363345726 0.69717371710334 0.03829152577441 15.999 > 15 59 O 0.90476363345726 0.19717371710334 0.53829152577441 15.999 > 15 60 O 0.90476363345726 0.69717371710334 0.53829152577441 15.999 > 15 61 O 0.59523636654274 0.05282628289666 0.28829152577441 15.999 > 16 62 O 0.59523636654274 0.55282628289666 0.28829152577441 15.999 > 16 63 O 0.59523636654274 0.05282628289666 0.78829152577441 15.999 > 16 64 O 0.59523636654274 0.55282628289666 0.78829152577441 15.999 > 16 65 O 0.90476363345726 0.30282628289666 0.28829152577441 15.999 > 17 66 O 0.90476363345726 0.80282628289666 0.28829152577441 15.999 > 17 67 O 0.90476363345726 0.30282628289666 0.78829152577441 15.999 > 17 68 O 0.90476363345726 0.80282628289666 0.78829152577441 15.999 > 17 69 O 0.59523636654274 0.44717371710334 0.03829152577441 15.999 > 18 70 O 0.59523636654274 0.94717371710334 0.03829152577441 15.999 > 18 71 O 0.59523636654274 0.44717371710334 0.53829152577441 15.999 > 18 72 O 0.59523636654274 0.94717371710334 0.53829152577441 15.999 > 18 73 O 0.09523636654274 0.30282628289666 0.46170847422559 15.999 > 19 74 O 0.09523636654274 0.80282628289666 0.46170847422559 15.999 > 19 75 O 0.09523636654274 0.30282628289666 0.96170847422559 15.999 > 19 76 O 0.09523636654274 0.80282628289666 0.96170847422559 15.999 > 19 77 O 0.40476363345726 0.44717371710334 0.21170847422559 15.999 > 20 78 O 0.40476363345726 0.94717371710334 0.21170847422559 15.999 > 20 79 O 0.40476363345726 0.44717371710334 0.71170847422559 15.999 > 20 80 O 0.40476363345726 0.94717371710334 0.71170847422559 15.999 > 20 81 O 0.42119128847111 0.19236247860948 0.20719749619547 15.999 > 21 82 O 0.42119128847111 0.69236247860948 0.20719749619547 15.999 > 21 83 O 0.42119128847111 0.19236247860948 0.70719749619547 15.999 > 21 84 O 0.42119128847111 0.69236247860948 0.70719749619547 15.999 > 21 85 O 0.07880871152889 0.05763752139052 0.45719749619547 15.999 > 22 86 O 0.07880871152889 0.55763752139052 0.45719749619547 15.999 > 22 87 O 0.07880871152889 0.05763752139052 0.95719749619547 15.999 > 22 88 O 0.07880871152889 0.55763752139052 0.95719749619547 15.999 > 22 89 O 0.57880871152889 0.19236247860948 0.04280250380453 15.999 > 23 90 O 0.57880871152889 0.69236247860948 0.04280250380453 15.999 > 23 91 O 0.57880871152889 0.19236247860948 0.54280250380453 15.999 > 23 92 O 0.57880871152889 0.69236247860948 0.54280250380453 15.999 > 23 93 O 0.92119128847111 0.05763752139052 0.29280250380453 15.999 > 24 94 O 0.92119128847111 0.55763752139052 0.29280250380453 15.999 > 24 95 O 0.92119128847111 0.05763752139052 0.79280250380453 15.999 > 24 96 O 0.92119128847111 0.55763752139052 0.79280250380453 15.999 > 24 *97 Zn 0.00000000000000 0.08468912880400 0.12500000000000 65.380 > 25 98 Zn 0.00000000000000 0.58468912880400 0.12500000000000 65.380 > 25 99 Zn 0.00000000000000 0.08468912880400 0.62500000000000 65.380 > 25 100 Zn 0.00000000000000 0.58468912880400 0.62500000000000 65.380 > 25 101 Zn 0.50000000000000 0.16531087119600 0.37500000000000 65.380 > 26 102 Zn 0.50000000000000 0.66531087119600 0.37500000000000 65.380 > 26 103 Zn 0.50000000000000 0.16531087119600 0.87500000000000 65.380 > 26 104 Zn 0.50000000000000 0.66531087119600 0.87500000000000 65.380 > 26 105 Zn 0.00000000000000 0.41531087119600 0.37500000000000 65.380 > 27 106 Zn 0.00000000000000 0.91531087119600 0.37500000000000 65.380 > 27 107 Zn 0.00000000000000 0.41531087119600 0.87500000000000 65.380 > 27 108 Zn 0.00000000000000 0.91531087119600 0.87500000000000 65.380 > 27 109 Zn 0.50000000000000 0.33468912880400 0.12500000000000 65.380 > 28 110 Zn 0.50000000000000 0.83468912880400 0.12500000000000 65.380 > 28 111 Zn 0.50000000000000 0.33468912880400 0.62500000000000 65.380 > 28 112 Zn 0.50000000000000 0.83468912880400 0.62500000000000 65.380 > 28 *113 Nb 0.65972995527698 0.09180709445985 0.12480952674631 92.906 > 29 114 Nb 0.65972995527698 0.59180709445985 0.12480952674631 92.906 > 29 115 Nb 0.65972995527698 0.09180709445985 0.62480952674631 92.906 > 29 116 Nb 0.65972995527698 0.59180709445985 0.62480952674631 92.906 > 29 117 Nb 0.84027004472302 0.15819290554015 0.37480952674631 92.906 > 30 118 Nb 0.84027004472302 0.65819290554015 0.37480952674631 92.906 > 30 119 Nb 0.84027004472302 0.15819290554015 0.87480952674631 92.906 > 30 120 Nb 0.84027004472302 0.65819290554015 0.87480952674631 92.906 > 30 121 Nb 0.34027004472302 0.09180709445985 0.12519047325369 92.906 > 31 122 Nb 0.34027004472302 0.59180709445985 0.12519047325369 92.906 > 31 123 Nb 0.34027004472302 0.09180709445985 0.62519047325369 92.906 > 31 124 Nb 0.34027004472302 0.59180709445985 0.62519047325369 92.906 > 31 125 Nb 0.15972995527698 0.15819290554015 0.37519047325369 92.906 > 32 126 Nb 0.15972995527698 0.65819290554015 0.37519047325369 92.906 > 32 127 Nb 0.15972995527698 0.15819290554015 0.87519047325369 92.906 > 32 128 Nb 0.15972995527698 0.65819290554015 0.87519047325369 92.906 > 32 129 Nb 0.84027004472302 0.34180709445985 0.12480952674631 92.906 > 33 130 Nb 0.84027004472302 0.84180709445985 0.12480952674631 92.906 > 33 131 Nb 0.84027004472302 0.34180709445985 0.62480952674631 92.906 > 33 132 Nb 0.84027004472302 0.84180709445985 0.62480952674631 92.906 > 33 133 Nb 0.65972995527698 0.40819290554015 0.37480952674631 92.906 > 34 134 Nb 0.65972995527698 0.90819290554015 0.37480952674631 92.906 > 34 135 Nb 0.65972995527698 0.40819290554015 0.87480952674631 92.906 > 34 136 Nb 0.65972995527698 0.90819290554015 0.87480952674631 92.906 > 34 137 Nb 0.15972995527698 0.34180709445985 0.12519047325369 92.906 > 35 138 Nb 0.15972995527698 0.84180709445985 0.12519047325369 92.906 > 35 139 Nb 0.15972995527698 0.34180709445985 0.62519047325369 92.906 > 35 140 Nb 0.15972995527698 0.84180709445985 0.62519047325369 92.906 > 35 141 Nb 0.34027004472302 0.40819290554015 0.37519047325369 92.906 > 36 142 Nb 0.34027004472302 0.90819290554015 0.37519047325369 92.906 > 36 143 Nb 0.34027004472302 0.40819290554015 0.87519047325369 92.906 > 36 144 Nb 0.34027004472302 0.90819290554015 0.87519047325369 92.906 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6548993 0.0000000 0.0000000 0.0000000 5.5974063 0.0000000 0.0000000 0.0000000 6.3130327 -------------------------- Born effective charges -------------------------- 1 O -2.6785706 1.1600195 1.2642161 1.4359424 -2.3688216 -0.3312074 1.4370812 -0.1073264 -3.1163557 2 O -2.6785706 1.1600195 -1.2642161 1.4359424 -2.3688216 0.3312074 -1.4370812 0.1073264 -3.1163557 3 O -2.6785706 -1.1600195 1.2642161 -1.4359424 -2.3688216 0.3312074 1.4370812 0.1073264 -3.1163557 4 O -2.6785706 -1.1600195 -1.2642161 -1.4359424 -2.3688216 -0.3312074 -1.4370812 -0.1073264 -3.1163557 5 O -2.6785706 1.1600195 1.2642161 1.4359424 -2.3688216 -0.3312074 1.4370812 -0.1073264 -3.1163557 6 O -2.6785706 1.1600195 -1.2642161 1.4359424 -2.3688216 0.3312074 -1.4370812 0.1073264 -3.1163557 7 O -2.6785706 -1.1600195 1.2642161 -1.4359424 -2.3688216 0.3312074 1.4370812 0.1073264 -3.1163557 8 O -2.6785706 -1.1600195 -1.2642161 -1.4359424 -2.3688216 -0.3312074 -1.4370812 -0.1073264 -3.1163557 9 O -2.5766173 1.2064392 0.9132819 1.2023832 -2.3715496 -0.7659542 0.8458334 -0.4949125 -1.9078160 10 O -2.5766173 1.2064392 -0.9132819 1.2023832 -2.3715496 0.7659542 -0.8458334 0.4949125 -1.9078160 11 O -2.5766173 -1.2064392 0.9132819 -1.2023832 -2.3715496 0.7659542 0.8458334 0.4949125 -1.9078160 12 O -2.5766173 -1.2064392 -0.9132819 -1.2023832 -2.3715496 -0.7659542 -0.8458334 -0.4949125 -1.9078160 13 O -1.8220032 -0.3650961 -0.5680647 -0.2618593 -2.4121305 1.0537226 -0.7872988 1.1353218 -3.4834705 14 O -1.8220032 -0.3650961 0.5680647 -0.2618593 -2.4121305 -1.0537226 0.7872988 -1.1353218 -3.4834705 15 O -1.8220032 0.3650961 -0.5680647 0.2618593 -2.4121305 -1.0537226 -0.7872988 -1.1353218 -3.4834705 16 O -1.8220032 0.3650961 0.5680647 0.2618593 -2.4121305 1.0537226 0.7872988 1.1353218 -3.4834705 17 O -1.8220032 -0.3650961 -0.5680647 -0.2618593 -2.4121305 1.0537226 -0.7872988 1.1353218 -3.4834705 18 O -1.8220032 -0.3650961 0.5680647 -0.2618593 -2.4121305 -1.0537226 0.7872988 -1.1353218 -3.4834705 19 O -1.8220032 0.3650961 -0.5680647 0.2618593 -2.4121305 -1.0537226 -0.7872988 -1.1353218 -3.4834705 20 O -1.8220032 0.3650961 0.5680647 0.2618593 -2.4121305 1.0537226 0.7872988 1.1353218 -3.4834705 21 O -2.5766173 -1.2064392 -0.9132819 -1.2023832 -2.3715496 -0.7659542 -0.8458334 -0.4949125 -1.9078160 22 O -2.5766173 -1.2064392 0.9132819 -1.2023832 -2.3715496 0.7659542 0.8458334 0.4949125 -1.9078160 23 O -2.5766173 1.2064392 -0.9132819 1.2023832 -2.3715496 0.7659542 -0.8458334 0.4949125 -1.9078160 24 O -2.5766173 1.2064392 0.9132819 1.2023832 -2.3715496 -0.7659542 0.8458334 -0.4949125 -1.9078160 25 Zn 3.7039993 0.0000000 -0.0485809 0.0000000 2.6138198 0.0000000 0.0918413 0.0000000 2.5705824 26 Zn 3.7039993 0.0000000 0.0485809 0.0000000 2.6138198 0.0000000 -0.0918413 0.0000000 2.5705824 27 Zn 3.7039993 0.0000000 -0.0485809 0.0000000 2.6138198 0.0000000 0.0918413 0.0000000 2.5705824 28 Zn 3.7039993 0.0000000 0.0485809 0.0000000 2.6138198 0.0000000 -0.0918413 0.0000000 2.5705824 29 Nb 5.2251914 0.0691134 0.3747312 0.9105165 5.8455919 -0.7095832 0.2407731 0.7219173 7.2223509 30 Nb 5.2251914 0.0691134 -0.3747312 0.9105165 5.8455919 0.7095832 -0.2407731 -0.7219173 7.2223509 31 Nb 5.2251914 -0.0691134 0.3747312 -0.9105165 5.8455919 0.7095832 0.2407731 -0.7219173 7.2223509 32 Nb 5.2251914 -0.0691134 -0.3747312 -0.9105165 5.8455919 -0.7095832 -0.2407731 0.7219173 7.2223509 33 Nb 5.2251914 -0.0691134 -0.3747312 -0.9105165 5.8455919 -0.7095832 -0.2407731 0.7219173 7.2223509 34 Nb 5.2251914 -0.0691134 0.3747312 -0.9105165 5.8455919 0.7095832 0.2407731 -0.7219173 7.2223509 35 Nb 5.2251914 0.0691134 -0.3747312 0.9105165 5.8455919 0.7095832 -0.2407731 -0.7219173 7.2223509 36 Nb 5.2251914 0.0691134 0.3747312 0.9105165 5.8455919 -0.7095832 0.2407731 0.7219173 7.2223509 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.088 Solver_block: 200 / 560 - Time: 1.066 Solver_block: 300 / 560 - Time: 1.061 Solver_block: 400 / 560 - Time: 1.051 Solver_block: 500 / 560 - Time: 1.076 Solver_block: 560 / 560 - Time: 0.670 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.158 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) 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 03:03:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:03:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749108940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.035128260000000 Atomic positions (fractional): 1 O 0.74425107756153 0.87811568742273 0.42156686647804 15.999 2 O 0.75574892243847 0.62188431257727 0.92156686647804 15.999 3 O 0.25574892243847 0.87811568742273 0.07843313352196 15.999 4 O 0.24425107756153 0.62188431257727 0.57843313352196 15.999 5 O 0.25574892243847 0.12188431257727 0.57843313352196 15.999 6 O 0.24425107756153 0.37811568742273 0.07843313352196 15.999 7 O 0.74425107756153 0.12188431257727 0.92156686647804 15.999 8 O 0.75574892243847 0.37811568742273 0.42156686647804 15.999 9 O 0.07880871152889 0.88472495721897 0.41439499239094 15.999 10 O 0.42119128847111 0.61527504278103 0.91439499239094 15.999 11 O 0.92119128847111 0.88472495721897 0.08560500760906 15.999 12 O 0.57880871152889 0.61527504278103 0.58560500760906 15.999 13 O 0.09523636654274 0.39434743420668 0.42341694845118 15.999 14 O 0.40476363345726 0.10565256579333 0.92341694845119 15.999 15 O 0.90476363345726 0.39434743420668 0.07658305154882 15.999 16 O 0.59523636654274 0.10565256579333 0.57658305154881 15.999 17 O 0.90476363345726 0.60565256579333 0.57658305154881 15.999 18 O 0.59523636654274 0.89434743420667 0.07658305154882 15.999 19 O 0.09523636654274 0.60565256579333 0.92341694845119 15.999 20 O 0.40476363345726 0.89434743420667 0.42341694845118 15.999 21 O 0.42119128847111 0.38472495721897 0.41439499239094 15.999 22 O 0.07880871152889 0.11527504278103 0.91439499239094 15.999 23 O 0.57880871152889 0.38472495721897 0.08560500760906 15.999 24 O 0.92119128847111 0.11527504278103 0.58560500760906 15.999 25 Zn 0.00000000000000 0.16937825760800 0.25000000000000 65.380 26 Zn 0.50000000000000 0.33062174239200 0.75000000000000 65.380 27 Zn 0.00000000000000 0.83062174239200 0.75000000000000 65.380 28 Zn 0.50000000000000 0.66937825760800 0.25000000000000 65.380 29 Nb 0.65972995527698 0.18361418891971 0.24961905349261 92.906 30 Nb 0.84027004472302 0.31638581108029 0.74961905349261 92.906 31 Nb 0.34027004472302 0.18361418891971 0.25038094650739 92.906 32 Nb 0.15972995527698 0.31638581108029 0.75038094650739 92.906 33 Nb 0.84027004472302 0.68361418891971 0.24961905349261 92.906 34 Nb 0.65972995527698 0.81638581108029 0.74961905349261 92.906 35 Nb 0.15972995527698 0.68361418891971 0.25038094650739 92.906 36 Nb 0.34027004472302 0.81638581108029 0.75038094650739 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.498217880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.070256519999999 Atomic positions (fractional): 1 O 0.74425107756153 0.43905784371137 0.21078343323902 15.999 > 1 2 O 0.74425107756153 0.93905784371137 0.21078343323902 15.999 > 1 3 O 0.74425107756153 0.43905784371137 0.71078343323902 15.999 > 1 4 O 0.74425107756153 0.93905784371137 0.71078343323902 15.999 > 1 5 O 0.75574892243847 0.31094215628863 0.46078343323902 15.999 > 5 6 O 0.75574892243847 0.81094215628863 0.46078343323902 15.999 > 5 7 O 0.75574892243847 0.31094215628863 0.96078343323902 15.999 > 5 8 O 0.75574892243847 0.81094215628863 0.96078343323902 15.999 > 5 9 O 0.25574892243847 0.43905784371137 0.03921656676098 15.999 > 9 10 O 0.25574892243847 0.93905784371137 0.03921656676098 15.999 > 9 11 O 0.25574892243847 0.43905784371137 0.53921656676098 15.999 > 9 12 O 0.25574892243847 0.93905784371137 0.53921656676098 15.999 > 9 13 O 0.24425107756153 0.31094215628863 0.28921656676098 15.999 > 13 14 O 0.24425107756153 0.81094215628863 0.28921656676098 15.999 > 13 15 O 0.24425107756153 0.31094215628863 0.78921656676098 15.999 > 13 16 O 0.24425107756153 0.81094215628863 0.78921656676098 15.999 > 13 17 O 0.25574892243847 0.06094215628863 0.28921656676098 15.999 > 17 18 O 0.25574892243847 0.56094215628863 0.28921656676098 15.999 > 17 19 O 0.25574892243847 0.06094215628863 0.78921656676098 15.999 > 17 20 O 0.25574892243847 0.56094215628863 0.78921656676098 15.999 > 17 21 O 0.24425107756153 0.18905784371137 0.03921656676098 15.999 > 21 22 O 0.24425107756153 0.68905784371137 0.03921656676098 15.999 > 21 23 O 0.24425107756153 0.18905784371137 0.53921656676098 15.999 > 21 24 O 0.24425107756153 0.68905784371137 0.53921656676098 15.999 > 21 25 O 0.74425107756153 0.06094215628863 0.46078343323902 15.999 > 25 26 O 0.74425107756153 0.56094215628863 0.46078343323902 15.999 > 25 27 O 0.74425107756153 0.06094215628863 0.96078343323902 15.999 > 25 28 O 0.74425107756153 0.56094215628863 0.96078343323902 15.999 > 25 29 O 0.75574892243847 0.18905784371137 0.21078343323902 15.999 > 29 30 O 0.75574892243847 0.68905784371137 0.21078343323902 15.999 > 29 31 O 0.75574892243847 0.18905784371137 0.71078343323902 15.999 > 29 32 O 0.75574892243847 0.68905784371137 0.71078343323902 15.999 > 29 33 O 0.07880871152889 0.44236247860948 0.20719749619547 15.999 > 33 34 O 0.07880871152889 0.94236247860948 0.20719749619547 15.999 > 33 35 O 0.07880871152889 0.44236247860948 0.70719749619547 15.999 > 33 36 O 0.07880871152889 0.94236247860948 0.70719749619547 15.999 > 33 37 O 0.42119128847111 0.30763752139052 0.45719749619547 15.999 > 37 38 O 0.42119128847111 0.80763752139052 0.45719749619547 15.999 > 37 39 O 0.42119128847111 0.30763752139052 0.95719749619547 15.999 > 37 40 O 0.42119128847111 0.80763752139052 0.95719749619547 15.999 > 37 41 O 0.92119128847111 0.44236247860948 0.04280250380453 15.999 > 41 42 O 0.92119128847111 0.94236247860948 0.04280250380453 15.999 > 41 43 O 0.92119128847111 0.44236247860948 0.54280250380453 15.999 > 41 44 O 0.92119128847111 0.94236247860948 0.54280250380453 15.999 > 41 45 O 0.57880871152889 0.30763752139052 0.29280250380453 15.999 > 45 46 O 0.57880871152889 0.80763752139052 0.29280250380453 15.999 > 45 47 O 0.57880871152889 0.30763752139052 0.79280250380453 15.999 > 45 48 O 0.57880871152889 0.80763752139052 0.79280250380453 15.999 > 45 49 O 0.09523636654274 0.19717371710334 0.21170847422559 15.999 > 49 50 O 0.09523636654274 0.69717371710334 0.21170847422559 15.999 > 49 51 O 0.09523636654274 0.19717371710334 0.71170847422559 15.999 > 49 52 O 0.09523636654274 0.69717371710334 0.71170847422559 15.999 > 49 53 O 0.40476363345726 0.05282628289666 0.46170847422559 15.999 > 53 54 O 0.40476363345726 0.55282628289666 0.46170847422559 15.999 > 53 55 O 0.40476363345726 0.05282628289666 0.96170847422559 15.999 > 53 56 O 0.40476363345726 0.55282628289666 0.96170847422559 15.999 > 53 57 O 0.90476363345726 0.19717371710334 0.03829152577441 15.999 > 57 58 O 0.90476363345726 0.69717371710334 0.03829152577441 15.999 > 57 59 O 0.90476363345726 0.19717371710334 0.53829152577441 15.999 > 57 60 O 0.90476363345726 0.69717371710334 0.53829152577441 15.999 > 57 61 O 0.59523636654274 0.05282628289666 0.28829152577441 15.999 > 61 62 O 0.59523636654274 0.55282628289666 0.28829152577441 15.999 > 61 63 O 0.59523636654274 0.05282628289666 0.78829152577441 15.999 > 61 64 O 0.59523636654274 0.55282628289666 0.78829152577441 15.999 > 61 65 O 0.90476363345726 0.30282628289666 0.28829152577441 15.999 > 65 66 O 0.90476363345726 0.80282628289666 0.28829152577441 15.999 > 65 67 O 0.90476363345726 0.30282628289666 0.78829152577441 15.999 > 65 68 O 0.90476363345726 0.80282628289666 0.78829152577441 15.999 > 65 69 O 0.59523636654274 0.44717371710334 0.03829152577441 15.999 > 69 70 O 0.59523636654274 0.94717371710334 0.03829152577441 15.999 > 69 71 O 0.59523636654274 0.44717371710334 0.53829152577441 15.999 > 69 72 O 0.59523636654274 0.94717371710334 0.53829152577441 15.999 > 69 73 O 0.09523636654274 0.30282628289666 0.46170847422559 15.999 > 73 74 O 0.09523636654274 0.80282628289666 0.46170847422559 15.999 > 73 75 O 0.09523636654274 0.30282628289666 0.96170847422559 15.999 > 73 76 O 0.09523636654274 0.80282628289666 0.96170847422559 15.999 > 73 77 O 0.40476363345726 0.44717371710334 0.21170847422559 15.999 > 77 78 O 0.40476363345726 0.94717371710334 0.21170847422559 15.999 > 77 79 O 0.40476363345726 0.44717371710334 0.71170847422559 15.999 > 77 80 O 0.40476363345726 0.94717371710334 0.71170847422559 15.999 > 77 81 O 0.42119128847111 0.19236247860948 0.20719749619547 15.999 > 81 82 O 0.42119128847111 0.69236247860948 0.20719749619547 15.999 > 81 83 O 0.42119128847111 0.19236247860948 0.70719749619547 15.999 > 81 84 O 0.42119128847111 0.69236247860948 0.70719749619547 15.999 > 81 85 O 0.07880871152889 0.05763752139052 0.45719749619547 15.999 > 85 86 O 0.07880871152889 0.55763752139052 0.45719749619547 15.999 > 85 87 O 0.07880871152889 0.05763752139052 0.95719749619547 15.999 > 85 88 O 0.07880871152889 0.55763752139052 0.95719749619547 15.999 > 85 89 O 0.57880871152889 0.19236247860948 0.04280250380453 15.999 > 89 90 O 0.57880871152889 0.69236247860948 0.04280250380453 15.999 > 89 91 O 0.57880871152889 0.19236247860948 0.54280250380453 15.999 > 89 92 O 0.57880871152889 0.69236247860948 0.54280250380453 15.999 > 89 93 O 0.92119128847111 0.05763752139052 0.29280250380453 15.999 > 93 94 O 0.92119128847111 0.55763752139052 0.29280250380453 15.999 > 93 95 O 0.92119128847111 0.05763752139052 0.79280250380453 15.999 > 93 96 O 0.92119128847111 0.55763752139052 0.79280250380453 15.999 > 93 97 Zn 0.00000000000000 0.08468912880400 0.12500000000000 65.380 > 97 98 Zn 0.00000000000000 0.58468912880400 0.12500000000000 65.380 > 97 99 Zn 0.00000000000000 0.08468912880400 0.62500000000000 65.380 > 97 100 Zn 0.00000000000000 0.58468912880400 0.62500000000000 65.380 > 97 101 Zn 0.50000000000000 0.16531087119600 0.37500000000000 65.380 > 101 102 Zn 0.50000000000000 0.66531087119600 0.37500000000000 65.380 > 101 103 Zn 0.50000000000000 0.16531087119600 0.87500000000000 65.380 > 101 104 Zn 0.50000000000000 0.66531087119600 0.87500000000000 65.380 > 101 105 Zn 0.00000000000000 0.41531087119600 0.37500000000000 65.380 > 105 106 Zn 0.00000000000000 0.91531087119600 0.37500000000000 65.380 > 105 107 Zn 0.00000000000000 0.41531087119600 0.87500000000000 65.380 > 105 108 Zn 0.00000000000000 0.91531087119600 0.87500000000000 65.380 > 105 109 Zn 0.50000000000000 0.33468912880400 0.12500000000000 65.380 > 109 110 Zn 0.50000000000000 0.83468912880400 0.12500000000000 65.380 > 109 111 Zn 0.50000000000000 0.33468912880400 0.62500000000000 65.380 > 109 112 Zn 0.50000000000000 0.83468912880400 0.62500000000000 65.380 > 109 113 Nb 0.65972995527698 0.09180709445985 0.12480952674631 92.906 > 113 114 Nb 0.65972995527698 0.59180709445985 0.12480952674631 92.906 > 113 115 Nb 0.65972995527698 0.09180709445985 0.62480952674631 92.906 > 113 116 Nb 0.65972995527698 0.59180709445985 0.62480952674631 92.906 > 113 117 Nb 0.84027004472302 0.15819290554015 0.37480952674631 92.906 > 117 118 Nb 0.84027004472302 0.65819290554015 0.37480952674631 92.906 > 117 119 Nb 0.84027004472302 0.15819290554015 0.87480952674631 92.906 > 117 120 Nb 0.84027004472302 0.65819290554015 0.87480952674631 92.906 > 117 121 Nb 0.34027004472302 0.09180709445985 0.12519047325369 92.906 > 121 122 Nb 0.34027004472302 0.59180709445985 0.12519047325369 92.906 > 121 123 Nb 0.34027004472302 0.09180709445985 0.62519047325369 92.906 > 121 124 Nb 0.34027004472302 0.59180709445985 0.62519047325369 92.906 > 121 125 Nb 0.15972995527698 0.15819290554015 0.37519047325369 92.906 > 125 126 Nb 0.15972995527698 0.65819290554015 0.37519047325369 92.906 > 125 127 Nb 0.15972995527698 0.15819290554015 0.87519047325369 92.906 > 125 128 Nb 0.15972995527698 0.65819290554015 0.87519047325369 92.906 > 125 129 Nb 0.84027004472302 0.34180709445985 0.12480952674631 92.906 > 129 130 Nb 0.84027004472302 0.84180709445985 0.12480952674631 92.906 > 129 131 Nb 0.84027004472302 0.34180709445985 0.62480952674631 92.906 > 129 132 Nb 0.84027004472302 0.84180709445985 0.62480952674631 92.906 > 129 133 Nb 0.65972995527698 0.40819290554015 0.37480952674631 92.906 > 133 134 Nb 0.65972995527698 0.90819290554015 0.37480952674631 92.906 > 133 135 Nb 0.65972995527698 0.40819290554015 0.87480952674631 92.906 > 133 136 Nb 0.65972995527698 0.90819290554015 0.87480952674631 92.906 > 133 137 Nb 0.15972995527698 0.34180709445985 0.12519047325369 92.906 > 137 138 Nb 0.15972995527698 0.84180709445985 0.12519047325369 92.906 > 137 139 Nb 0.15972995527698 0.34180709445985 0.62519047325369 92.906 > 137 140 Nb 0.15972995527698 0.84180709445985 0.62519047325369 92.906 > 137 141 Nb 0.34027004472302 0.40819290554015 0.37519047325369 92.906 > 141 142 Nb 0.34027004472302 0.90819290554015 0.37519047325369 92.906 > 141 143 Nb 0.34027004472302 0.40819290554015 0.87519047325369 92.906 > 141 144 Nb 0.34027004472302 0.90819290554015 0.87519047325369 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6548993 0.0000000 0.0000000 0.0000000 5.5974063 0.0000000 0.0000000 0.0000000 6.3130327 -------------------------- Born effective charges -------------------------- 1 O -2.6785706 1.1600195 1.2642161 1.4359424 -2.3688216 -0.3312074 1.4370812 -0.1073264 -3.1163557 2 O -2.6785706 1.1600195 -1.2642161 1.4359424 -2.3688216 0.3312074 -1.4370812 0.1073264 -3.1163557 3 O -2.6785706 -1.1600195 1.2642161 -1.4359424 -2.3688216 0.3312074 1.4370812 0.1073264 -3.1163557 4 O -2.6785706 -1.1600195 -1.2642161 -1.4359424 -2.3688216 -0.3312074 -1.4370812 -0.1073264 -3.1163557 5 O -2.6785706 1.1600195 1.2642161 1.4359424 -2.3688216 -0.3312074 1.4370812 -0.1073264 -3.1163557 6 O -2.6785706 1.1600195 -1.2642161 1.4359424 -2.3688216 0.3312074 -1.4370812 0.1073264 -3.1163557 7 O -2.6785706 -1.1600195 1.2642161 -1.4359424 -2.3688216 0.3312074 1.4370812 0.1073264 -3.1163557 8 O -2.6785706 -1.1600195 -1.2642161 -1.4359424 -2.3688216 -0.3312074 -1.4370812 -0.1073264 -3.1163557 9 O -2.5766173 1.2064392 0.9132819 1.2023832 -2.3715496 -0.7659542 0.8458334 -0.4949125 -1.9078160 10 O -2.5766173 1.2064392 -0.9132819 1.2023832 -2.3715496 0.7659542 -0.8458334 0.4949125 -1.9078160 11 O -2.5766173 -1.2064392 0.9132819 -1.2023832 -2.3715496 0.7659542 0.8458334 0.4949125 -1.9078160 12 O -2.5766173 -1.2064392 -0.9132819 -1.2023832 -2.3715496 -0.7659542 -0.8458334 -0.4949125 -1.9078160 13 O -1.8220032 -0.3650961 -0.5680647 -0.2618593 -2.4121305 1.0537226 -0.7872988 1.1353218 -3.4834705 14 O -1.8220032 -0.3650961 0.5680647 -0.2618593 -2.4121305 -1.0537226 0.7872988 -1.1353218 -3.4834705 15 O -1.8220032 0.3650961 -0.5680647 0.2618593 -2.4121305 -1.0537226 -0.7872988 -1.1353218 -3.4834705 16 O -1.8220032 0.3650961 0.5680647 0.2618593 -2.4121305 1.0537226 0.7872988 1.1353218 -3.4834705 17 O -1.8220032 -0.3650961 -0.5680647 -0.2618593 -2.4121305 1.0537226 -0.7872988 1.1353218 -3.4834705 18 O -1.8220032 -0.3650961 0.5680647 -0.2618593 -2.4121305 -1.0537226 0.7872988 -1.1353218 -3.4834705 19 O -1.8220032 0.3650961 -0.5680647 0.2618593 -2.4121305 -1.0537226 -0.7872988 -1.1353218 -3.4834705 20 O -1.8220032 0.3650961 0.5680647 0.2618593 -2.4121305 1.0537226 0.7872988 1.1353218 -3.4834705 21 O -2.5766173 -1.2064392 -0.9132819 -1.2023832 -2.3715496 -0.7659542 -0.8458334 -0.4949125 -1.9078160 22 O -2.5766173 -1.2064392 0.9132819 -1.2023832 -2.3715496 0.7659542 0.8458334 0.4949125 -1.9078160 23 O -2.5766173 1.2064392 -0.9132819 1.2023832 -2.3715496 0.7659542 -0.8458334 0.4949125 -1.9078160 24 O -2.5766173 1.2064392 0.9132819 1.2023832 -2.3715496 -0.7659542 0.8458334 -0.4949125 -1.9078160 25 Zn 3.7039993 0.0000000 -0.0485809 0.0000000 2.6138198 0.0000000 0.0918413 0.0000000 2.5705824 26 Zn 3.7039993 0.0000000 0.0485809 0.0000000 2.6138198 0.0000000 -0.0918413 0.0000000 2.5705824 27 Zn 3.7039993 0.0000000 -0.0485809 0.0000000 2.6138198 0.0000000 0.0918413 0.0000000 2.5705824 28 Zn 3.7039993 0.0000000 0.0485809 0.0000000 2.6138198 0.0000000 -0.0918413 0.0000000 2.5705824 29 Nb 5.2251914 0.0691134 0.3747312 0.9105165 5.8455919 -0.7095832 0.2407731 0.7219173 7.2223509 30 Nb 5.2251914 0.0691134 -0.3747312 0.9105165 5.8455919 0.7095832 -0.2407731 -0.7219173 7.2223509 31 Nb 5.2251914 -0.0691134 0.3747312 -0.9105165 5.8455919 0.7095832 0.2407731 -0.7219173 7.2223509 32 Nb 5.2251914 -0.0691134 -0.3747312 -0.9105165 5.8455919 -0.7095832 -0.2407731 0.7219173 7.2223509 33 Nb 5.2251914 -0.0691134 -0.3747312 -0.9105165 5.8455919 -0.7095832 -0.2407731 0.7219173 7.2223509 34 Nb 5.2251914 -0.0691134 0.3747312 -0.9105165 5.8455919 0.7095832 0.2407731 -0.7219173 7.2223509 35 Nb 5.2251914 0.0691134 -0.3747312 0.9105165 5.8455919 0.7095832 -0.2407731 -0.7219173 7.2223509 36 Nb 5.2251914 0.0691134 0.3747312 0.9105165 5.8455919 -0.7095832 0.2407731 0.7219173 7.2223509 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) 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 03:03:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:03:50]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749108940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.035128260000000 Atomic positions (fractional): 1 O 0.74425107756153 0.87811568742273 0.42156686647804 15.999 2 O 0.75574892243847 0.62188431257727 0.92156686647804 15.999 3 O 0.25574892243847 0.87811568742273 0.07843313352196 15.999 4 O 0.24425107756153 0.62188431257727 0.57843313352196 15.999 5 O 0.25574892243847 0.12188431257727 0.57843313352196 15.999 6 O 0.24425107756153 0.37811568742273 0.07843313352196 15.999 7 O 0.74425107756153 0.12188431257727 0.92156686647804 15.999 8 O 0.75574892243847 0.37811568742273 0.42156686647804 15.999 9 O 0.07880871152889 0.88472495721897 0.41439499239094 15.999 10 O 0.42119128847111 0.61527504278103 0.91439499239094 15.999 11 O 0.92119128847111 0.88472495721897 0.08560500760906 15.999 12 O 0.57880871152889 0.61527504278103 0.58560500760906 15.999 13 O 0.09523636654274 0.39434743420668 0.42341694845118 15.999 14 O 0.40476363345726 0.10565256579333 0.92341694845119 15.999 15 O 0.90476363345726 0.39434743420668 0.07658305154882 15.999 16 O 0.59523636654274 0.10565256579333 0.57658305154881 15.999 17 O 0.90476363345726 0.60565256579333 0.57658305154881 15.999 18 O 0.59523636654274 0.89434743420667 0.07658305154882 15.999 19 O 0.09523636654274 0.60565256579333 0.92341694845119 15.999 20 O 0.40476363345726 0.89434743420667 0.42341694845118 15.999 21 O 0.42119128847111 0.38472495721897 0.41439499239094 15.999 22 O 0.07880871152889 0.11527504278103 0.91439499239094 15.999 23 O 0.57880871152889 0.38472495721897 0.08560500760906 15.999 24 O 0.92119128847111 0.11527504278103 0.58560500760906 15.999 25 Zn 0.00000000000000 0.16937825760800 0.25000000000000 65.380 26 Zn 0.50000000000000 0.33062174239200 0.75000000000000 65.380 27 Zn 0.00000000000000 0.83062174239200 0.75000000000000 65.380 28 Zn 0.50000000000000 0.66937825760800 0.25000000000000 65.380 29 Nb 0.65972995527698 0.18361418891971 0.24961905349261 92.906 30 Nb 0.84027004472302 0.31638581108029 0.74961905349261 92.906 31 Nb 0.34027004472302 0.18361418891971 0.25038094650739 92.906 32 Nb 0.15972995527698 0.31638581108029 0.75038094650739 92.906 33 Nb 0.84027004472302 0.68361418891971 0.24961905349261 92.906 34 Nb 0.65972995527698 0.81638581108029 0.74961905349261 92.906 35 Nb 0.15972995527698 0.68361418891971 0.25038094650739 92.906 36 Nb 0.34027004472302 0.81638581108029 0.75038094650739 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.261776110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.498217880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.070256519999999 Atomic positions (fractional): 1 O 0.74425107756153 0.43905784371137 0.21078343323902 15.999 > 1 2 O 0.74425107756153 0.93905784371137 0.21078343323902 15.999 > 1 3 O 0.74425107756153 0.43905784371137 0.71078343323902 15.999 > 1 4 O 0.74425107756153 0.93905784371137 0.71078343323902 15.999 > 1 5 O 0.75574892243847 0.31094215628863 0.46078343323902 15.999 > 5 6 O 0.75574892243847 0.81094215628863 0.46078343323902 15.999 > 5 7 O 0.75574892243847 0.31094215628863 0.96078343323902 15.999 > 5 8 O 0.75574892243847 0.81094215628863 0.96078343323902 15.999 > 5 9 O 0.25574892243847 0.43905784371137 0.03921656676098 15.999 > 9 10 O 0.25574892243847 0.93905784371137 0.03921656676098 15.999 > 9 11 O 0.25574892243847 0.43905784371137 0.53921656676098 15.999 > 9 12 O 0.25574892243847 0.93905784371137 0.53921656676098 15.999 > 9 13 O 0.24425107756153 0.31094215628863 0.28921656676098 15.999 > 13 14 O 0.24425107756153 0.81094215628863 0.28921656676098 15.999 > 13 15 O 0.24425107756153 0.31094215628863 0.78921656676098 15.999 > 13 16 O 0.24425107756153 0.81094215628863 0.78921656676098 15.999 > 13 17 O 0.25574892243847 0.06094215628863 0.28921656676098 15.999 > 17 18 O 0.25574892243847 0.56094215628863 0.28921656676098 15.999 > 17 19 O 0.25574892243847 0.06094215628863 0.78921656676098 15.999 > 17 20 O 0.25574892243847 0.56094215628863 0.78921656676098 15.999 > 17 21 O 0.24425107756153 0.18905784371137 0.03921656676098 15.999 > 21 22 O 0.24425107756153 0.68905784371137 0.03921656676098 15.999 > 21 23 O 0.24425107756153 0.18905784371137 0.53921656676098 15.999 > 21 24 O 0.24425107756153 0.68905784371137 0.53921656676098 15.999 > 21 25 O 0.74425107756153 0.06094215628863 0.46078343323902 15.999 > 25 26 O 0.74425107756153 0.56094215628863 0.46078343323902 15.999 > 25 27 O 0.74425107756153 0.06094215628863 0.96078343323902 15.999 > 25 28 O 0.74425107756153 0.56094215628863 0.96078343323902 15.999 > 25 29 O 0.75574892243847 0.18905784371137 0.21078343323902 15.999 > 29 30 O 0.75574892243847 0.68905784371137 0.21078343323902 15.999 > 29 31 O 0.75574892243847 0.18905784371137 0.71078343323902 15.999 > 29 32 O 0.75574892243847 0.68905784371137 0.71078343323902 15.999 > 29 33 O 0.07880871152889 0.44236247860948 0.20719749619547 15.999 > 33 34 O 0.07880871152889 0.94236247860948 0.20719749619547 15.999 > 33 35 O 0.07880871152889 0.44236247860948 0.70719749619547 15.999 > 33 36 O 0.07880871152889 0.94236247860948 0.70719749619547 15.999 > 33 37 O 0.42119128847111 0.30763752139052 0.45719749619547 15.999 > 37 38 O 0.42119128847111 0.80763752139052 0.45719749619547 15.999 > 37 39 O 0.42119128847111 0.30763752139052 0.95719749619547 15.999 > 37 40 O 0.42119128847111 0.80763752139052 0.95719749619547 15.999 > 37 41 O 0.92119128847111 0.44236247860948 0.04280250380453 15.999 > 41 42 O 0.92119128847111 0.94236247860948 0.04280250380453 15.999 > 41 43 O 0.92119128847111 0.44236247860948 0.54280250380453 15.999 > 41 44 O 0.92119128847111 0.94236247860948 0.54280250380453 15.999 > 41 45 O 0.57880871152889 0.30763752139052 0.29280250380453 15.999 > 45 46 O 0.57880871152889 0.80763752139052 0.29280250380453 15.999 > 45 47 O 0.57880871152889 0.30763752139052 0.79280250380453 15.999 > 45 48 O 0.57880871152889 0.80763752139052 0.79280250380453 15.999 > 45 49 O 0.09523636654274 0.19717371710334 0.21170847422559 15.999 > 49 50 O 0.09523636654274 0.69717371710334 0.21170847422559 15.999 > 49 51 O 0.09523636654274 0.19717371710334 0.71170847422559 15.999 > 49 52 O 0.09523636654274 0.69717371710334 0.71170847422559 15.999 > 49 53 O 0.40476363345726 0.05282628289666 0.46170847422559 15.999 > 53 54 O 0.40476363345726 0.55282628289666 0.46170847422559 15.999 > 53 55 O 0.40476363345726 0.05282628289666 0.96170847422559 15.999 > 53 56 O 0.40476363345726 0.55282628289666 0.96170847422559 15.999 > 53 57 O 0.90476363345726 0.19717371710334 0.03829152577441 15.999 > 57 58 O 0.90476363345726 0.69717371710334 0.03829152577441 15.999 > 57 59 O 0.90476363345726 0.19717371710334 0.53829152577441 15.999 > 57 60 O 0.90476363345726 0.69717371710334 0.53829152577441 15.999 > 57 61 O 0.59523636654274 0.05282628289666 0.28829152577441 15.999 > 61 62 O 0.59523636654274 0.55282628289666 0.28829152577441 15.999 > 61 63 O 0.59523636654274 0.05282628289666 0.78829152577441 15.999 > 61 64 O 0.59523636654274 0.55282628289666 0.78829152577441 15.999 > 61 65 O 0.90476363345726 0.30282628289666 0.28829152577441 15.999 > 65 66 O 0.90476363345726 0.80282628289666 0.28829152577441 15.999 > 65 67 O 0.90476363345726 0.30282628289666 0.78829152577441 15.999 > 65 68 O 0.90476363345726 0.80282628289666 0.78829152577441 15.999 > 65 69 O 0.59523636654274 0.44717371710334 0.03829152577441 15.999 > 69 70 O 0.59523636654274 0.94717371710334 0.03829152577441 15.999 > 69 71 O 0.59523636654274 0.44717371710334 0.53829152577441 15.999 > 69 72 O 0.59523636654274 0.94717371710334 0.53829152577441 15.999 > 69 73 O 0.09523636654274 0.30282628289666 0.46170847422559 15.999 > 73 74 O 0.09523636654274 0.80282628289666 0.46170847422559 15.999 > 73 75 O 0.09523636654274 0.30282628289666 0.96170847422559 15.999 > 73 76 O 0.09523636654274 0.80282628289666 0.96170847422559 15.999 > 73 77 O 0.40476363345726 0.44717371710334 0.21170847422559 15.999 > 77 78 O 0.40476363345726 0.94717371710334 0.21170847422559 15.999 > 77 79 O 0.40476363345726 0.44717371710334 0.71170847422559 15.999 > 77 80 O 0.40476363345726 0.94717371710334 0.71170847422559 15.999 > 77 81 O 0.42119128847111 0.19236247860948 0.20719749619547 15.999 > 81 82 O 0.42119128847111 0.69236247860948 0.20719749619547 15.999 > 81 83 O 0.42119128847111 0.19236247860948 0.70719749619547 15.999 > 81 84 O 0.42119128847111 0.69236247860948 0.70719749619547 15.999 > 81 85 O 0.07880871152889 0.05763752139052 0.45719749619547 15.999 > 85 86 O 0.07880871152889 0.55763752139052 0.45719749619547 15.999 > 85 87 O 0.07880871152889 0.05763752139052 0.95719749619547 15.999 > 85 88 O 0.07880871152889 0.55763752139052 0.95719749619547 15.999 > 85 89 O 0.57880871152889 0.19236247860948 0.04280250380453 15.999 > 89 90 O 0.57880871152889 0.69236247860948 0.04280250380453 15.999 > 89 91 O 0.57880871152889 0.19236247860948 0.54280250380453 15.999 > 89 92 O 0.57880871152889 0.69236247860948 0.54280250380453 15.999 > 89 93 O 0.92119128847111 0.05763752139052 0.29280250380453 15.999 > 93 94 O 0.92119128847111 0.55763752139052 0.29280250380453 15.999 > 93 95 O 0.92119128847111 0.05763752139052 0.79280250380453 15.999 > 93 96 O 0.92119128847111 0.55763752139052 0.79280250380453 15.999 > 93 97 Zn 0.00000000000000 0.08468912880400 0.12500000000000 65.380 > 97 98 Zn 0.00000000000000 0.58468912880400 0.12500000000000 65.380 > 97 99 Zn 0.00000000000000 0.08468912880400 0.62500000000000 65.380 > 97 100 Zn 0.00000000000000 0.58468912880400 0.62500000000000 65.380 > 97 101 Zn 0.50000000000000 0.16531087119600 0.37500000000000 65.380 > 101 102 Zn 0.50000000000000 0.66531087119600 0.37500000000000 65.380 > 101 103 Zn 0.50000000000000 0.16531087119600 0.87500000000000 65.380 > 101 104 Zn 0.50000000000000 0.66531087119600 0.87500000000000 65.380 > 101 105 Zn 0.00000000000000 0.41531087119600 0.37500000000000 65.380 > 105 106 Zn 0.00000000000000 0.91531087119600 0.37500000000000 65.380 > 105 107 Zn 0.00000000000000 0.41531087119600 0.87500000000000 65.380 > 105 108 Zn 0.00000000000000 0.91531087119600 0.87500000000000 65.380 > 105 109 Zn 0.50000000000000 0.33468912880400 0.12500000000000 65.380 > 109 110 Zn 0.50000000000000 0.83468912880400 0.12500000000000 65.380 > 109 111 Zn 0.50000000000000 0.33468912880400 0.62500000000000 65.380 > 109 112 Zn 0.50000000000000 0.83468912880400 0.62500000000000 65.380 > 109 113 Nb 0.65972995527698 0.09180709445985 0.12480952674631 92.906 > 113 114 Nb 0.65972995527698 0.59180709445985 0.12480952674631 92.906 > 113 115 Nb 0.65972995527698 0.09180709445985 0.62480952674631 92.906 > 113 116 Nb 0.65972995527698 0.59180709445985 0.62480952674631 92.906 > 113 117 Nb 0.84027004472302 0.15819290554015 0.37480952674631 92.906 > 117 118 Nb 0.84027004472302 0.65819290554015 0.37480952674631 92.906 > 117 119 Nb 0.84027004472302 0.15819290554015 0.87480952674631 92.906 > 117 120 Nb 0.84027004472302 0.65819290554015 0.87480952674631 92.906 > 117 121 Nb 0.34027004472302 0.09180709445985 0.12519047325369 92.906 > 121 122 Nb 0.34027004472302 0.59180709445985 0.12519047325369 92.906 > 121 123 Nb 0.34027004472302 0.09180709445985 0.62519047325369 92.906 > 121 124 Nb 0.34027004472302 0.59180709445985 0.62519047325369 92.906 > 121 125 Nb 0.15972995527698 0.15819290554015 0.37519047325369 92.906 > 125 126 Nb 0.15972995527698 0.65819290554015 0.37519047325369 92.906 > 125 127 Nb 0.15972995527698 0.15819290554015 0.87519047325369 92.906 > 125 128 Nb 0.15972995527698 0.65819290554015 0.87519047325369 92.906 > 125 129 Nb 0.84027004472302 0.34180709445985 0.12480952674631 92.906 > 129 130 Nb 0.84027004472302 0.84180709445985 0.12480952674631 92.906 > 129 131 Nb 0.84027004472302 0.34180709445985 0.62480952674631 92.906 > 129 132 Nb 0.84027004472302 0.84180709445985 0.62480952674631 92.906 > 129 133 Nb 0.65972995527698 0.40819290554015 0.37480952674631 92.906 > 133 134 Nb 0.65972995527698 0.90819290554015 0.37480952674631 92.906 > 133 135 Nb 0.65972995527698 0.40819290554015 0.87480952674631 92.906 > 133 136 Nb 0.65972995527698 0.90819290554015 0.87480952674631 92.906 > 133 137 Nb 0.15972995527698 0.34180709445985 0.12519047325369 92.906 > 137 138 Nb 0.15972995527698 0.84180709445985 0.12519047325369 92.906 > 137 139 Nb 0.15972995527698 0.34180709445985 0.62519047325369 92.906 > 137 140 Nb 0.15972995527698 0.84180709445985 0.62519047325369 92.906 > 137 141 Nb 0.34027004472302 0.40819290554015 0.37519047325369 92.906 > 141 142 Nb 0.34027004472302 0.90819290554015 0.37519047325369 92.906 > 141 143 Nb 0.34027004472302 0.40819290554015 0.87519047325369 92.906 > 141 144 Nb 0.34027004472302 0.90819290554015 0.87519047325369 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6548993 0.0000000 0.0000000 0.0000000 5.5974063 0.0000000 0.0000000 0.0000000 6.3130327 -------------------------- Born effective charges -------------------------- 1 O -2.6785706 1.1600195 1.2642161 1.4359424 -2.3688216 -0.3312074 1.4370812 -0.1073264 -3.1163557 2 O -2.6785706 1.1600195 -1.2642161 1.4359424 -2.3688216 0.3312074 -1.4370812 0.1073264 -3.1163557 3 O -2.6785706 -1.1600195 1.2642161 -1.4359424 -2.3688216 0.3312074 1.4370812 0.1073264 -3.1163557 4 O -2.6785706 -1.1600195 -1.2642161 -1.4359424 -2.3688216 -0.3312074 -1.4370812 -0.1073264 -3.1163557 5 O -2.6785706 1.1600195 1.2642161 1.4359424 -2.3688216 -0.3312074 1.4370812 -0.1073264 -3.1163557 6 O -2.6785706 1.1600195 -1.2642161 1.4359424 -2.3688216 0.3312074 -1.4370812 0.1073264 -3.1163557 7 O -2.6785706 -1.1600195 1.2642161 -1.4359424 -2.3688216 0.3312074 1.4370812 0.1073264 -3.1163557 8 O -2.6785706 -1.1600195 -1.2642161 -1.4359424 -2.3688216 -0.3312074 -1.4370812 -0.1073264 -3.1163557 9 O -2.5766173 1.2064392 0.9132819 1.2023832 -2.3715496 -0.7659542 0.8458334 -0.4949125 -1.9078160 10 O -2.5766173 1.2064392 -0.9132819 1.2023832 -2.3715496 0.7659542 -0.8458334 0.4949125 -1.9078160 11 O -2.5766173 -1.2064392 0.9132819 -1.2023832 -2.3715496 0.7659542 0.8458334 0.4949125 -1.9078160 12 O -2.5766173 -1.2064392 -0.9132819 -1.2023832 -2.3715496 -0.7659542 -0.8458334 -0.4949125 -1.9078160 13 O -1.8220032 -0.3650961 -0.5680647 -0.2618593 -2.4121305 1.0537226 -0.7872988 1.1353218 -3.4834705 14 O -1.8220032 -0.3650961 0.5680647 -0.2618593 -2.4121305 -1.0537226 0.7872988 -1.1353218 -3.4834705 15 O -1.8220032 0.3650961 -0.5680647 0.2618593 -2.4121305 -1.0537226 -0.7872988 -1.1353218 -3.4834705 16 O -1.8220032 0.3650961 0.5680647 0.2618593 -2.4121305 1.0537226 0.7872988 1.1353218 -3.4834705 17 O -1.8220032 -0.3650961 -0.5680647 -0.2618593 -2.4121305 1.0537226 -0.7872988 1.1353218 -3.4834705 18 O -1.8220032 -0.3650961 0.5680647 -0.2618593 -2.4121305 -1.0537226 0.7872988 -1.1353218 -3.4834705 19 O -1.8220032 0.3650961 -0.5680647 0.2618593 -2.4121305 -1.0537226 -0.7872988 -1.1353218 -3.4834705 20 O -1.8220032 0.3650961 0.5680647 0.2618593 -2.4121305 1.0537226 0.7872988 1.1353218 -3.4834705 21 O -2.5766173 -1.2064392 -0.9132819 -1.2023832 -2.3715496 -0.7659542 -0.8458334 -0.4949125 -1.9078160 22 O -2.5766173 -1.2064392 0.9132819 -1.2023832 -2.3715496 0.7659542 0.8458334 0.4949125 -1.9078160 23 O -2.5766173 1.2064392 -0.9132819 1.2023832 -2.3715496 0.7659542 -0.8458334 0.4949125 -1.9078160 24 O -2.5766173 1.2064392 0.9132819 1.2023832 -2.3715496 -0.7659542 0.8458334 -0.4949125 -1.9078160 25 Zn 3.7039993 0.0000000 -0.0485809 0.0000000 2.6138198 0.0000000 0.0918413 0.0000000 2.5705824 26 Zn 3.7039993 0.0000000 0.0485809 0.0000000 2.6138198 0.0000000 -0.0918413 0.0000000 2.5705824 27 Zn 3.7039993 0.0000000 -0.0485809 0.0000000 2.6138198 0.0000000 0.0918413 0.0000000 2.5705824 28 Zn 3.7039993 0.0000000 0.0485809 0.0000000 2.6138198 0.0000000 -0.0918413 0.0000000 2.5705824 29 Nb 5.2251914 0.0691134 0.3747312 0.9105165 5.8455919 -0.7095832 0.2407731 0.7219173 7.2223509 30 Nb 5.2251914 0.0691134 -0.3747312 0.9105165 5.8455919 0.7095832 -0.2407731 -0.7219173 7.2223509 31 Nb 5.2251914 -0.0691134 0.3747312 -0.9105165 5.8455919 0.7095832 0.2407731 -0.7219173 7.2223509 32 Nb 5.2251914 -0.0691134 -0.3747312 -0.9105165 5.8455919 -0.7095832 -0.2407731 0.7219173 7.2223509 33 Nb 5.2251914 -0.0691134 -0.3747312 -0.9105165 5.8455919 -0.7095832 -0.2407731 0.7219173 7.2223509 34 Nb 5.2251914 -0.0691134 0.3747312 -0.9105165 5.8455919 0.7095832 0.2407731 -0.7219173 7.2223509 35 Nb 5.2251914 0.0691134 -0.3747312 0.9105165 5.8455919 0.7095832 -0.2407731 -0.7219173 7.2223509 36 Nb 5.2251914 0.0691134 0.3747312 0.9105165 5.8455919 -0.7095832 0.2407731 0.7219173 7.2223509 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- 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 ... [ 4 9 10 ] 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: 0.56, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 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 2.021 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.435 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 12.831 ( 0.000 0.000 0.000) 0.000 13.011 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.223 ( 0.000 0.000 0.000) 0.000 14.266 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 15.441 ( 0.000 0.000 0.000) 0.000 15.601 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.779 ( 0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 16.899 ( 0.000 0.000 0.000) 0.000 17.669 ( 0.000 0.000 0.000) 0.000 18.170 ( 0.000 0.000 0.000) 0.000 18.394 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 19.088 ( 0.000 0.000 0.000) 0.000 19.473 ( 0.000 0.000 0.000) 0.000 20.083 ( 0.000 0.000 0.000) 0.000 20.204 ( 0.000 0.000 0.000) 0.000 20.425 ( 0.000 0.000 0.000) 0.000 21.029 ( 0.000 0.000 0.000) 0.000 23.233 ( 0.000 0.000 0.000) 0.000 23.536 ( 0.000 0.000 0.000) 0.000 24.023 ( 0.000 0.000 0.000) 0.000 24.193 ( 0.000 0.000 0.000) 0.000 24.222 ( 0.000 0.000 0.000) 0.000 24.431 ( 0.000 0.000 0.000) 0.000 24.897 ( 0.000 0.000 0.000) 0.000 25.869 ( 0.000 0.000 0.000) 0.000 25.930 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 32.284 0.000 0.000) 32.284 0.658 ( 37.172 0.000 0.000) 37.172 1.123 ( 62.792 0.000 0.000) 62.792 1.660 ( -28.685 0.000 0.000) 28.685 1.890 ( -29.571 0.000 0.000) 29.571 2.727 ( 23.667 0.000 0.000) 23.667 3.167 ( 21.758 0.000 0.000) 21.758 3.179 ( -48.696 0.000 0.000) 48.696 3.477 ( -17.750 0.000 0.000) 17.750 3.661 ( -5.499 0.000 0.000) 5.499 3.821 ( 3.383 0.000 0.000) 3.383 3.832 ( 3.008 0.000 0.000) 3.008 3.939 ( 0.916 0.000 0.000) 0.916 4.135 ( -11.148 0.000 0.000) 11.148 4.214 ( 9.691 0.000 0.000) 9.691 4.689 ( -13.580 0.000 0.000) 13.580 4.871 ( 2.975 0.000 0.000) 2.975 4.974 ( -1.264 0.000 0.000) 1.264 5.035 ( 2.314 0.000 0.000) 2.314 5.055 ( 21.702 0.000 0.000) 21.702 5.062 ( 2.617 0.000 0.000) 2.617 5.239 ( 8.182 0.000 0.000) 8.182 5.302 ( -4.041 0.000 0.000) 4.041 5.426 ( 12.061 0.000 0.000) 12.061 5.690 ( 2.128 0.000 0.000) 2.128 5.757 ( -6.751 0.000 0.000) 6.751 5.837 ( -5.495 0.000 0.000) 5.495 5.847 ( -8.274 0.000 0.000) 8.274 6.033 ( 5.106 0.000 0.000) 5.106 6.142 ( -0.951 0.000 0.000) 0.951 6.201 ( 3.102 0.000 0.000) 3.102 6.251 ( 1.237 0.000 0.000) 1.237 6.602 ( -1.882 0.000 0.000) 1.882 6.626 ( -3.684 0.000 0.000) 3.684 6.672 ( 3.968 0.000 0.000) 3.968 6.798 ( -0.399 0.000 0.000) 0.399 6.853 ( 5.784 0.000 0.000) 5.784 6.959 ( 0.122 0.000 0.000) 0.122 7.269 ( -4.996 0.000 0.000) 4.996 7.299 ( -2.241 0.000 0.000) 2.241 7.439 ( -12.745 0.000 0.000) 12.745 7.452 ( -10.879 0.000 0.000) 10.879 7.629 ( 8.038 0.000 0.000) 8.038 7.693 ( 2.999 0.000 0.000) 2.999 7.806 ( 1.101 0.000 0.000) 1.101 7.850 ( 3.590 0.000 0.000) 3.590 7.852 ( 10.365 0.000 0.000) 10.365 7.987 ( 7.487 0.000 0.000) 7.487 8.180 ( -7.864 0.000 0.000) 7.864 8.194 ( -0.209 0.000 0.000) 0.209 8.297 ( -1.651 0.000 0.000) 1.651 8.364 ( -5.331 0.000 0.000) 5.331 8.498 ( 4.020 0.000 0.000) 4.020 8.720 ( -5.542 0.000 0.000) 5.542 8.935 ( 7.187 0.000 0.000) 7.187 9.248 ( -8.605 0.000 0.000) 8.605 9.464 ( -0.157 0.000 0.000) 0.157 9.511 ( -3.156 0.000 0.000) 3.156 9.591 ( 5.783 0.000 0.000) 5.783 9.711 ( -1.010 0.000 0.000) 1.010 10.001 ( 1.829 0.000 0.000) 1.829 10.030 ( 1.232 0.000 0.000) 1.232 10.807 ( 10.151 0.000 0.000) 10.151 11.118 ( 0.831 0.000 0.000) 0.831 11.173 ( -1.681 0.000 0.000) 1.681 11.290 ( -13.156 0.000 0.000) 13.156 11.767 ( 6.200 0.000 0.000) 6.200 11.790 ( 3.195 0.000 0.000) 3.195 11.914 ( -2.171 0.000 0.000) 2.171 11.925 ( -2.899 0.000 0.000) 2.899 12.619 ( 9.199 0.000 0.000) 9.199 12.796 ( 0.365 0.000 0.000) 0.365 12.823 ( -0.836 0.000 0.000) 0.836 13.014 ( 0.245 0.000 0.000) 0.245 13.016 ( 0.159 0.000 0.000) 0.159 13.127 ( -15.355 0.000 0.000) 15.355 13.482 ( 0.873 0.000 0.000) 0.873 13.510 ( -0.374 0.000 0.000) 0.374 14.223 ( 0.076 0.000 0.000) 0.076 14.250 ( -1.400 0.000 0.000) 1.400 14.466 ( 2.301 0.000 0.000) 2.301 14.541 ( -1.311 0.000 0.000) 1.311 14.921 ( 22.536 0.000 0.000) 22.536 15.463 ( 2.393 0.000 0.000) 2.393 15.576 ( -2.706 0.000 0.000) 2.706 15.847 ( -22.043 0.000 0.000) 22.043 16.787 ( 0.803 0.000 0.000) 0.803 16.825 ( -1.023 0.000 0.000) 1.023 17.734 ( 6.165 0.000 0.000) 6.165 17.828 ( 15.336 0.000 0.000) 15.336 18.065 ( -9.890 0.000 0.000) 9.890 18.321 ( -8.263 0.000 0.000) 8.263 18.765 ( 8.885 0.000 0.000) 8.885 19.045 ( -4.844 0.000 0.000) 4.844 19.524 ( 5.838 0.000 0.000) 5.838 19.908 ( -14.154 0.000 0.000) 14.154 20.594 ( 13.508 0.000 0.000) 13.508 20.973 ( -6.261 0.000 0.000) 6.261 23.272 ( 4.240 0.000 0.000) 4.240 23.482 ( -5.487 0.000 0.000) 5.487 23.972 ( 0.908 0.000 0.000) 0.908 24.014 ( -0.987 0.000 0.000) 0.987 24.238 ( 4.594 0.000 0.000) 4.594 24.403 ( -3.095 0.000 0.000) 3.095 24.913 ( 1.644 0.000 0.000) 1.644 24.986 ( -1.673 0.000 0.000) 1.673 25.878 ( 1.023 0.000 0.000) 1.023 25.921 ( -0.908 0.000 0.000) 0.908 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -31.424 0.000 0.000) 31.424 1.128 ( 31.424 0.000 0.000) 31.424 1.294 ( -34.938 0.000 0.000) 34.938 1.294 ( 34.938 0.000 0.000) 34.938 2.216 ( -58.916 0.000 0.000) 58.916 2.216 ( 58.916 0.000 0.000) 58.916 3.129 ( -21.692 0.000 0.000) 21.692 3.129 ( 21.692 0.000 0.000) 21.692 3.500 ( -14.331 0.000 0.000) 14.331 3.500 ( 14.331 0.000 0.000) 14.331 3.898 ( -3.981 0.000 0.000) 3.981 3.898 ( 3.981 0.000 0.000) 3.981 3.931 ( -9.749 0.000 0.000) 9.749 3.931 ( 9.749 0.000 0.000) 9.749 4.437 ( -14.424 0.000 0.000) 14.424 4.437 ( 14.424 0.000 0.000) 14.424 4.931 ( -3.302 0.000 0.000) 3.302 4.931 ( 3.302 0.000 0.000) 3.302 5.072 ( -1.288 0.000 0.000) 1.288 5.072 ( 1.288 0.000 0.000) 1.288 5.219 ( -5.091 0.000 0.000) 5.091 5.219 ( 5.091 0.000 0.000) 5.091 5.553 ( -17.258 0.000 0.000) 17.258 5.553 ( 17.258 0.000 0.000) 17.258 5.651 ( -12.965 0.000 0.000) 12.965 5.651 ( 12.965 0.000 0.000) 12.965 5.748 ( -4.364 0.000 0.000) 4.364 5.748 ( 4.364 0.000 0.000) 4.364 6.107 ( -3.158 0.000 0.000) 3.158 6.107 ( 3.158 0.000 0.000) 3.158 6.253 ( -1.770 0.000 0.000) 1.770 6.253 ( 1.770 0.000 0.000) 1.770 6.582 ( -0.407 0.000 0.000) 0.407 6.582 ( 0.407 0.000 0.000) 0.407 6.755 ( -4.488 0.000 0.000) 4.488 6.755 ( 4.488 0.000 0.000) 4.488 6.938 ( -3.063 0.000 0.000) 3.063 6.938 ( 3.063 0.000 0.000) 3.063 7.268 ( -5.546 0.000 0.000) 5.546 7.268 ( 5.546 0.000 0.000) 5.546 7.308 ( -4.542 0.000 0.000) 4.542 7.308 ( 4.542 0.000 0.000) 4.542 7.761 ( -4.255 0.000 0.000) 4.255 7.761 ( 4.255 0.000 0.000) 4.255 7.787 ( -8.627 0.000 0.000) 8.627 7.787 ( 8.627 0.000 0.000) 8.627 8.035 ( -9.384 0.000 0.000) 9.384 8.035 ( 9.384 0.000 0.000) 9.384 8.142 ( -7.257 0.000 0.000) 7.257 8.142 ( 7.257 0.000 0.000) 7.257 8.287 ( -1.492 0.000 0.000) 1.492 8.287 ( 1.492 0.000 0.000) 1.492 8.599 ( -7.265 0.000 0.000) 7.265 8.599 ( 7.265 0.000 0.000) 7.265 9.086 ( -9.404 0.000 0.000) 9.404 9.086 ( 9.404 0.000 0.000) 9.404 9.471 ( -1.205 0.000 0.000) 1.205 9.471 ( 1.205 0.000 0.000) 1.205 9.674 ( -3.410 0.000 0.000) 3.410 9.674 ( 3.410 0.000 0.000) 3.410 10.031 ( -1.142 0.000 0.000) 1.142 10.031 ( 1.142 0.000 0.000) 1.142 11.036 ( -14.818 0.000 0.000) 14.818 11.036 ( 14.818 0.000 0.000) 14.818 11.141 ( -1.723 0.000 0.000) 1.723 11.141 ( 1.723 0.000 0.000) 1.723 11.859 ( -4.243 0.000 0.000) 4.243 11.859 ( 4.243 0.000 0.000) 4.243 11.859 ( -4.165 0.000 0.000) 4.165 11.859 ( 4.165 0.000 0.000) 4.165 12.807 ( -0.822 0.000 0.000) 0.822 12.807 ( 0.822 0.000 0.000) 0.822 12.842 ( -15.495 0.000 0.000) 15.495 12.842 ( 15.495 0.000 0.000) 15.495 13.017 ( -0.065 0.000 0.000) 0.065 13.017 ( 0.065 0.000 0.000) 0.065 13.499 ( -0.890 0.000 0.000) 0.890 13.499 ( 0.890 0.000 0.000) 0.890 14.230 ( -0.798 0.000 0.000) 0.798 14.230 ( 0.798 0.000 0.000) 0.798 14.509 ( -2.322 0.000 0.000) 2.322 14.509 ( 2.322 0.000 0.000) 2.322 15.386 ( -28.347 0.000 0.000) 28.347 15.386 ( 28.347 0.000 0.000) 28.347 15.518 ( -3.584 0.000 0.000) 3.584 15.518 ( 3.584 0.000 0.000) 3.584 16.805 ( -1.183 0.000 0.000) 1.183 16.805 ( 1.183 0.000 0.000) 1.183 17.882 ( -10.114 0.000 0.000) 10.114 17.882 ( 10.114 0.000 0.000) 10.114 18.111 ( -15.169 0.000 0.000) 15.169 18.111 ( 15.169 0.000 0.000) 15.169 18.925 ( -8.491 0.000 0.000) 8.491 18.925 ( 8.491 0.000 0.000) 8.491 19.676 ( -11.372 0.000 0.000) 11.372 19.676 ( 11.372 0.000 0.000) 11.372 20.817 ( -11.253 0.000 0.000) 11.253 20.817 ( 11.253 0.000 0.000) 11.253 23.370 ( -6.569 0.000 0.000) 6.569 23.370 ( 6.569 0.000 0.000) 6.569 23.993 ( -1.335 0.000 0.000) 1.335 23.993 ( 1.335 0.000 0.000) 1.335 24.329 ( -5.140 0.000 0.000) 5.140 24.329 ( 5.140 0.000 0.000) 5.140 24.949 ( -2.334 0.000 0.000) 2.334 24.949 ( 2.334 0.000 0.000) 2.334 25.900 ( -1.359 0.000 0.000) 1.359 25.900 ( 1.359 0.000 0.000) 1.359 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 30.410 0.000) 30.410 0.685 ( 0.000 34.938 0.000) 34.938 1.125 ( 0.000 57.299 0.000) 57.299 2.019 ( 0.000 0.304 0.000) 0.304 2.300 ( 0.000 -8.671 0.000) 8.671 2.323 ( 0.000 9.312 0.000) 9.312 2.906 ( 0.000 2.055 0.000) 2.055 3.648 ( 0.000 -5.819 0.000) 5.819 3.699 ( 0.000 2.023 0.000) 2.023 3.773 ( 0.000 -3.428 0.000) 3.428 3.810 ( 0.000 -6.205 0.000) 6.205 3.901 ( 0.000 9.876 0.000) 9.876 3.901 ( 0.000 12.258 0.000) 12.258 4.098 ( 0.000 -3.829 0.000) 3.829 4.181 ( 0.000 -4.266 0.000) 4.266 4.700 ( 0.000 -6.482 0.000) 6.482 4.797 ( 0.000 -11.843 0.000) 11.843 4.799 ( 0.000 -3.981 0.000) 3.981 4.849 ( 0.000 4.662 0.000) 4.662 5.100 ( 0.000 -3.302 0.000) 3.302 5.165 ( 0.000 17.083 0.000) 17.083 5.283 ( 0.000 6.148 0.000) 6.148 5.372 ( 0.000 5.102 0.000) 5.102 5.441 ( 0.000 15.587 0.000) 15.587 5.466 ( 0.000 5.899 0.000) 5.899 5.754 ( 0.000 6.696 0.000) 6.696 5.838 ( 0.000 2.500 0.000) 2.500 5.930 ( 0.000 -0.660 0.000) 0.660 6.004 ( 0.000 7.594 0.000) 7.594 6.081 ( 0.000 4.086 0.000) 4.086 6.228 ( 0.000 5.267 0.000) 5.267 6.345 ( 0.000 10.234 0.000) 10.234 6.426 ( 0.000 -16.139 0.000) 16.139 6.456 ( 0.000 4.581 0.000) 4.581 6.602 ( 0.000 -3.425 0.000) 3.425 6.692 ( 0.000 2.048 0.000) 2.048 6.849 ( 0.000 6.504 0.000) 6.504 6.938 ( 0.000 -1.660 0.000) 1.660 6.956 ( 0.000 6.834 0.000) 6.834 7.420 ( 0.000 -12.034 0.000) 12.034 7.463 ( 0.000 -12.723 0.000) 12.723 7.539 ( 0.000 -0.306 0.000) 0.306 7.585 ( 0.000 1.673 0.000) 1.673 7.634 ( 0.000 -7.483 0.000) 7.483 7.645 ( 0.000 -7.606 0.000) 7.606 7.870 ( 0.000 3.998 0.000) 3.998 7.986 ( 0.000 3.382 0.000) 3.382 8.117 ( 0.000 -7.494 0.000) 7.494 8.179 ( 0.000 -8.894 0.000) 8.894 8.328 ( 0.000 6.147 0.000) 6.147 8.423 ( 0.000 0.973 0.000) 0.973 8.531 ( 0.000 5.839 0.000) 5.839 8.765 ( 0.000 -0.534 0.000) 0.534 8.954 ( 0.000 6.041 0.000) 6.041 8.997 ( 0.000 7.327 0.000) 7.327 9.159 ( 0.000 -11.067 0.000) 11.067 9.342 ( 0.000 -0.515 0.000) 0.515 9.644 ( 0.000 8.175 0.000) 8.175 9.653 ( 0.000 -6.126 0.000) 6.126 9.705 ( 0.000 14.631 0.000) 14.631 10.186 ( 0.000 16.760 0.000) 16.760 10.427 ( 0.000 5.043 0.000) 5.043 10.707 ( 0.000 -0.728 0.000) 0.728 10.833 ( 0.000 -2.231 0.000) 2.231 11.109 ( 0.000 -0.154 0.000) 0.154 11.429 ( 0.000 -0.620 0.000) 0.620 11.568 ( 0.000 -6.757 0.000) 6.757 11.899 ( 0.000 8.338 0.000) 8.338 11.916 ( 0.000 -1.897 0.000) 1.897 11.921 ( 0.000 -1.318 0.000) 1.318 12.587 ( 0.000 -0.478 0.000) 0.478 12.716 ( 0.000 -7.965 0.000) 7.965 12.786 ( 0.000 -4.684 0.000) 4.684 13.011 ( 0.000 -7.013 0.000) 7.013 13.148 ( 0.000 15.970 0.000) 15.970 13.342 ( 0.000 -6.222 0.000) 6.222 13.407 ( 0.000 -6.651 0.000) 6.651 14.101 ( 0.000 -7.941 0.000) 7.941 14.256 ( 0.000 3.442 0.000) 3.442 14.316 ( 0.000 4.700 0.000) 4.700 14.600 ( 0.000 5.071 0.000) 5.071 14.775 ( 0.000 7.045 0.000) 7.045 15.475 ( 0.000 3.251 0.000) 3.251 15.626 ( 0.000 2.566 0.000) 2.566 16.027 ( 0.000 -3.727 0.000) 3.727 16.585 ( 0.000 -12.529 0.000) 12.529 16.615 ( 0.000 -4.964 0.000) 4.964 16.812 ( 0.000 -2.655 0.000) 2.655 17.098 ( 0.000 13.060 0.000) 13.060 17.711 ( 0.000 4.658 0.000) 4.658 18.194 ( 0.000 2.128 0.000) 2.128 18.703 ( 0.000 3.434 0.000) 3.434 18.802 ( 0.000 -7.397 0.000) 7.397 19.179 ( 0.000 6.280 0.000) 6.280 19.375 ( 0.000 -9.314 0.000) 9.314 19.971 ( 0.000 -9.589 0.000) 9.589 20.295 ( 0.000 7.261 0.000) 7.261 21.023 ( 0.000 -0.638 0.000) 0.638 21.719 ( 0.000 -0.638 0.000) 0.638 23.001 ( 0.000 -19.373 0.000) 19.373 23.828 ( 0.000 -18.077 0.000) 18.077 24.169 ( 0.000 10.819 0.000) 10.819 24.242 ( 0.000 -16.620 0.000) 16.620 24.599 ( 0.000 19.241 0.000) 19.241 24.873 ( 0.000 -3.073 0.000) 3.073 24.976 ( 0.000 5.934 0.000) 5.934 25.850 ( 0.000 -1.833 0.000) 1.833 25.907 ( 0.000 -2.285 0.000) 2.285 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 17.126 17.639 0.000) 24.585 0.948 ( 25.475 24.991 0.000) 35.686 1.617 ( -29.993 -2.065 0.000) 30.064 1.644 ( 41.717 38.951 0.000) 57.074 2.009 ( -24.605 12.669 0.000) 27.675 2.640 ( 22.397 -6.278 0.000) 23.261 3.169 ( 20.540 0.558 0.000) 20.548 3.396 ( -42.310 17.723 0.000) 45.872 3.424 ( -17.419 -5.126 0.000) 18.157 3.660 ( -5.248 0.408 0.000) 5.264 3.802 ( 2.894 -3.226 0.000) 4.334 3.874 ( 1.928 0.268 0.000) 1.946 3.934 ( 1.257 2.747 0.000) 3.021 4.113 ( -7.652 -0.730 0.000) 7.687 4.185 ( 9.640 -3.316 0.000) 10.194 4.604 ( -11.475 -9.060 0.000) 14.620 4.879 ( 6.159 -1.465 0.000) 6.331 4.933 ( 8.592 -10.147 0.000) 13.296 5.039 ( -2.204 0.177 0.000) 2.211 5.056 ( 2.776 10.784 0.000) 11.136 5.138 ( 14.290 6.239 0.000) 15.593 5.376 ( 1.984 5.755 0.000) 6.087 5.421 ( 0.513 14.000 0.000) 14.009 5.492 ( 8.224 5.444 0.000) 9.862 5.591 ( 5.597 -10.525 0.000) 11.921 5.760 ( -0.540 6.115 0.000) 6.138 5.800 ( -3.349 2.318 0.000) 4.073 5.878 ( -4.120 3.241 0.000) 5.242 6.070 ( 5.481 4.441 0.000) 7.055 6.128 ( 4.935 3.317 0.000) 5.946 6.239 ( 2.184 0.992 0.000) 2.399 6.332 ( -1.427 7.543 0.000) 7.677 6.440 ( 0.179 -0.217 0.000) 0.281 6.542 ( 11.850 -15.774 0.000) 19.730 6.551 ( -5.068 -3.005 0.000) 5.892 6.742 ( 4.899 1.622 0.000) 5.160 6.876 ( 3.132 5.405 0.000) 6.246 6.958 ( 1.619 0.579 0.000) 1.720 6.975 ( 1.613 6.447 0.000) 6.646 7.300 ( -11.711 -11.271 0.000) 16.254 7.323 ( -12.829 -10.103 0.000) 16.329 7.410 ( -9.981 -0.247 0.000) 9.984 7.574 ( 0.121 0.876 0.000) 0.884 7.634 ( 1.744 -6.322 0.000) 6.558 7.763 ( 7.665 -7.714 0.000) 10.875 7.923 ( -4.470 -1.794 0.000) 4.816 8.011 ( 7.939 -0.636 0.000) 7.964 8.110 ( -1.041 -6.863 0.000) 6.942 8.191 ( 3.331 -1.448 0.000) 3.632 8.377 ( -3.887 2.753 0.000) 4.763 8.397 ( 4.802 9.037 0.000) 10.234 8.554 ( 2.989 7.007 0.000) 7.618 8.663 ( -15.450 15.753 0.000) 22.065 8.755 ( -8.019 8.535 0.000) 11.711 8.956 ( 1.042 2.263 0.000) 2.491 9.181 ( -8.745 -3.581 0.000) 9.450 9.363 ( 7.038 -7.331 0.000) 10.162 9.548 ( -5.276 -1.759 0.000) 5.562 9.720 ( 2.512 4.904 0.000) 5.510 9.721 ( 1.353 13.267 0.000) 13.335 10.203 ( 1.482 16.211 0.000) 16.279 10.299 ( -6.807 15.933 0.000) 17.326 10.798 ( 9.785 -1.214 0.000) 9.860 10.961 ( 7.197 -10.235 0.000) 12.511 11.099 ( -1.037 -1.250 0.000) 1.624 11.285 ( -12.248 -0.313 0.000) 12.252 11.658 ( 6.638 -5.910 0.000) 8.888 11.865 ( -4.323 -3.675 0.000) 5.674 11.910 ( 1.127 7.199 0.000) 7.286 11.935 ( 0.202 1.192 0.000) 1.209 12.671 ( 8.951 -1.642 0.000) 9.100 12.729 ( 1.303 -7.210 0.000) 7.326 12.778 ( -0.843 -4.897 0.000) 4.969 12.971 ( -4.171 -6.995 0.000) 8.145 13.171 ( 2.982 17.173 0.000) 17.430 13.337 ( -1.216 -4.791 0.000) 4.943 13.428 ( 2.671 -4.065 0.000) 4.864 14.018 ( -22.225 15.030 0.000) 26.830 14.258 ( 0.319 3.596 0.000) 3.610 14.294 ( -2.625 4.541 0.000) 5.245 14.566 ( -19.431 13.525 0.000) 23.675 14.579 ( -2.415 4.135 0.000) 4.789 15.259 ( -13.501 23.872 0.000) 27.425 15.478 ( -0.481 1.300 0.000) 1.386 15.723 ( -7.033 18.075 0.000) 19.395 15.872 ( -14.775 2.393 0.000) 14.967 16.756 ( 1.274 -3.806 0.000) 4.013 16.801 ( -1.052 -2.687 0.000) 2.885 17.592 ( 18.768 -8.078 0.000) 20.432 17.850 ( 13.320 2.638 0.000) 13.579 18.084 ( -9.905 1.879 0.000) 10.082 18.462 ( -19.754 7.702 0.000) 21.202 18.797 ( 8.594 3.084 0.000) 9.130 19.070 ( -5.754 3.193 0.000) 6.581 19.430 ( 6.254 -8.791 0.000) 10.789 19.820 ( -13.468 -7.524 0.000) 15.428 20.544 ( 15.808 -3.407 0.000) 16.171 20.962 ( -6.823 -1.136 0.000) 6.917 22.576 ( 43.222 -43.124 0.000) 61.056 23.006 ( 0.082 -21.499 0.000) 21.499 23.887 ( 6.509 -18.474 0.000) 19.587 24.129 ( -4.335 -2.259 0.000) 4.888 24.254 ( 1.390 -3.214 0.000) 3.502 24.431 ( -10.617 17.582 0.000) 20.539 24.982 ( 4.827 0.168 0.000) 4.829 24.988 ( 1.252 5.629 0.000) 5.766 25.858 ( 0.937 -1.882 0.000) 2.102 25.899 ( -0.835 -2.188 0.000) 2.342 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -30.910 0.394 0.000) 30.913 1.071 ( 30.910 0.394 0.000) 30.913 1.458 ( -30.345 15.826 0.000) 34.224 1.458 ( 30.345 15.826 0.000) 34.224 2.505 ( -46.400 24.427 0.000) 52.437 2.505 ( 46.400 24.427 0.000) 52.437 3.094 ( -18.246 -3.078 0.000) 18.504 3.094 ( 18.246 -3.078 0.000) 18.504 3.492 ( -14.450 -0.360 0.000) 14.455 3.492 ( 14.450 -0.360 0.000) 14.455 3.862 ( -3.256 -3.589 0.000) 4.846 3.862 ( 3.256 -3.589 0.000) 4.846 3.979 ( -5.768 4.847 0.000) 7.534 3.979 ( 5.768 4.847 0.000) 7.534 4.391 ( -12.619 -5.641 0.000) 13.822 4.391 ( 12.619 -5.641 0.000) 13.822 4.975 ( -4.464 5.585 0.000) 7.150 4.975 ( 4.464 5.585 0.000) 7.150 5.016 ( -1.139 -5.241 0.000) 5.364 5.016 ( 1.139 -5.241 0.000) 5.364 5.385 ( -1.665 13.830 0.000) 13.930 5.385 ( 1.665 13.830 0.000) 13.930 5.502 ( -12.370 -5.954 0.000) 13.728 5.502 ( 12.370 -5.954 0.000) 13.728 5.655 ( -9.123 2.664 0.000) 9.504 5.655 ( 9.123 2.664 0.000) 9.504 5.810 ( -3.094 5.295 0.000) 6.133 5.810 ( 3.094 5.295 0.000) 6.133 6.153 ( -2.718 3.859 0.000) 4.720 6.153 ( 2.718 3.859 0.000) 4.720 6.295 ( -2.919 2.674 0.000) 3.958 6.295 ( 2.919 2.674 0.000) 3.958 6.466 ( -3.519 -2.214 0.000) 4.158 6.466 ( 3.519 -2.214 0.000) 4.158 6.770 ( -6.561 -11.120 0.000) 12.911 6.770 ( 6.561 -11.120 0.000) 12.911 6.976 ( -3.124 4.780 0.000) 5.710 6.976 ( 3.124 4.780 0.000) 5.710 7.003 ( -9.664 -4.725 0.000) 10.757 7.003 ( 9.664 -4.725 0.000) 10.757 7.270 ( -3.412 -3.146 0.000) 4.640 7.270 ( 3.412 -3.146 0.000) 4.640 7.607 ( -3.323 -1.083 0.000) 3.495 7.607 ( 3.323 -1.083 0.000) 3.495 7.864 ( -3.579 -8.240 0.000) 8.983 7.864 ( 3.579 -8.240 0.000) 8.983 8.083 ( -1.884 -4.154 0.000) 4.561 8.083 ( 1.884 -4.154 0.000) 4.561 8.299 ( -6.543 1.519 0.000) 6.717 8.299 ( 6.543 1.519 0.000) 6.717 8.463 ( -5.077 21.582 0.000) 22.171 8.463 ( 5.077 21.582 0.000) 22.171 8.640 ( -6.321 6.338 0.000) 8.951 8.640 ( 6.321 6.338 0.000) 8.951 9.026 ( -7.151 -3.349 0.000) 7.897 9.026 ( 7.151 -3.349 0.000) 7.897 9.466 ( -4.650 -5.036 0.000) 6.855 9.466 ( 4.650 -5.036 0.000) 6.855 9.739 ( -0.254 9.622 0.000) 9.625 9.739 ( 0.254 9.622 0.000) 9.625 10.231 ( -1.982 16.273 0.000) 16.394 10.231 ( 1.982 16.273 0.000) 16.394 10.994 ( -7.841 -6.284 0.000) 10.048 10.994 ( 7.841 -6.284 0.000) 10.048 11.092 ( -3.635 -0.413 0.000) 3.659 11.092 ( 3.635 -0.413 0.000) 3.659 11.771 ( -6.142 -5.118 0.000) 7.995 11.771 ( 6.142 -5.118 0.000) 7.995 11.929 ( -0.809 4.334 0.000) 4.409 11.929 ( 0.809 4.334 0.000) 4.409 12.754 ( -1.406 -5.673 0.000) 5.844 12.754 ( 1.406 -5.673 0.000) 5.844 12.856 ( -9.527 -6.343 0.000) 11.445 12.856 ( 9.527 -6.343 0.000) 11.445 13.267 ( -6.953 10.835 0.000) 12.874 13.267 ( 6.953 10.835 0.000) 12.874 13.550 ( -15.418 15.693 0.000) 21.999 13.550 ( 15.418 15.693 0.000) 21.999 14.268 ( -0.816 3.578 0.000) 3.670 14.268 ( 0.816 3.578 0.000) 3.670 14.519 ( -3.825 2.150 0.000) 4.388 14.519 ( 3.825 2.150 0.000) 4.388 15.374 ( -12.678 0.772 0.000) 12.701 15.374 ( 12.678 0.772 0.000) 12.701 15.684 ( -2.617 13.932 0.000) 14.176 15.684 ( 2.617 13.932 0.000) 14.176 16.779 ( -1.362 -2.999 0.000) 3.293 16.779 ( 1.362 -2.999 0.000) 3.293 17.848 ( -12.423 -2.350 0.000) 12.644 17.848 ( 12.423 -2.350 0.000) 12.644 18.157 ( -16.394 4.043 0.000) 16.885 18.157 ( 16.394 4.043 0.000) 16.885 18.950 ( -8.067 2.375 0.000) 8.410 18.950 ( 8.067 2.375 0.000) 8.410 19.590 ( -11.684 -7.783 0.000) 14.039 19.590 ( 11.684 -7.783 0.000) 14.039 20.793 ( -12.246 -2.372 0.000) 12.474 20.793 ( 12.246 -2.372 0.000) 12.474 22.960 ( -7.698 -29.704 0.000) 30.685 22.960 ( 7.698 -29.704 0.000) 30.685 24.022 ( -7.625 -14.439 0.000) 16.329 24.022 ( 7.625 -14.439 0.000) 16.329 24.301 ( -4.523 10.247 0.000) 11.201 24.301 ( 4.523 10.247 0.000) 11.201 25.009 ( -0.658 4.165 0.000) 4.217 25.009 ( 0.658 4.165 0.000) 4.217 25.879 ( -1.327 -2.024 0.000) 2.420 25.879 ( 1.327 -2.024 0.000) 2.420 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 31.259 0.000) 31.259 1.339 ( 0.000 32.369 0.000) 32.369 2.073 ( 0.000 6.318 0.000) 6.318 2.180 ( 0.000 -1.953 0.000) 1.953 2.187 ( 0.000 50.748 0.000) 50.748 2.574 ( 0.000 17.007 0.000) 17.007 2.985 ( 0.000 6.105 0.000) 6.105 3.507 ( 0.000 -8.044 0.000) 8.044 3.630 ( 0.000 -11.492 0.000) 11.492 3.664 ( 0.000 -7.974 0.000) 7.974 3.734 ( 0.000 3.102 0.000) 3.102 3.978 ( 0.000 -9.133 0.000) 9.133 4.117 ( 0.000 -2.169 0.000) 2.169 4.133 ( 0.000 5.796 0.000) 5.796 4.155 ( 0.000 15.675 0.000) 15.675 4.499 ( 0.000 -11.697 0.000) 11.697 4.642 ( 0.000 -0.179 0.000) 0.179 4.706 ( 0.000 -5.643 0.000) 5.643 4.995 ( 0.000 -7.588 0.000) 7.588 5.056 ( 0.000 13.060 0.000) 13.060 5.383 ( 0.000 -4.755 0.000) 4.755 5.440 ( 0.000 9.770 0.000) 9.770 5.531 ( 0.000 18.447 0.000) 18.447 5.602 ( 0.000 5.345 0.000) 5.345 5.719 ( 0.000 11.032 0.000) 11.032 5.869 ( 0.000 5.150 0.000) 5.150 5.892 ( 0.000 2.529 0.000) 2.529 5.968 ( 0.000 6.076 0.000) 6.076 6.143 ( 0.000 -4.090 0.000) 4.090 6.192 ( 0.000 10.956 0.000) 10.956 6.223 ( 0.000 3.087 0.000) 3.087 6.339 ( 0.000 5.322 0.000) 5.322 6.497 ( 0.000 -7.911 0.000) 7.911 6.580 ( 0.000 7.865 0.000) 7.865 6.597 ( 0.000 14.767 0.000) 14.767 6.706 ( 0.000 -1.477 0.000) 1.477 6.897 ( 0.000 -2.047 0.000) 2.047 7.032 ( 0.000 1.862 0.000) 1.862 7.036 ( 0.000 12.510 0.000) 12.510 7.239 ( 0.000 -10.044 0.000) 10.044 7.243 ( 0.000 -5.431 0.000) 5.431 7.451 ( 0.000 -9.277 0.000) 9.277 7.467 ( 0.000 -10.029 0.000) 10.029 7.512 ( 0.000 -2.845 0.000) 2.845 7.618 ( 0.000 1.093 0.000) 1.093 7.827 ( 0.000 -13.157 0.000) 13.157 7.925 ( 0.000 0.345 0.000) 0.345 7.929 ( 0.000 -11.143 0.000) 11.143 8.211 ( 0.000 7.865 0.000) 7.865 8.467 ( 0.000 3.893 0.000) 3.893 8.470 ( 0.000 7.559 0.000) 7.559 8.669 ( 0.000 8.406 0.000) 8.406 8.754 ( 0.000 -0.440 0.000) 0.440 8.983 ( 0.000 -6.997 0.000) 6.997 9.045 ( 0.000 3.321 0.000) 3.321 9.128 ( 0.000 3.588 0.000) 3.588 9.362 ( 0.000 4.329 0.000) 4.329 9.523 ( 0.000 -5.681 0.000) 5.681 9.792 ( 0.000 5.645 0.000) 5.645 9.974 ( 0.000 12.622 0.000) 12.622 10.552 ( 0.000 7.478 0.000) 7.478 10.564 ( 0.000 18.298 0.000) 18.298 10.693 ( 0.000 1.255 0.000) 1.255 10.765 ( 0.000 -4.980 0.000) 4.980 11.110 ( 0.000 0.418 0.000) 0.418 11.418 ( 0.000 -0.306 0.000) 0.306 11.472 ( 0.000 -2.765 0.000) 2.765 11.859 ( 0.000 -3.985 0.000) 3.985 11.932 ( 0.000 1.970 0.000) 1.970 12.044 ( 0.000 6.296 0.000) 6.296 12.480 ( 0.000 -7.944 0.000) 7.944 12.493 ( 0.000 -14.499 0.000) 14.499 12.650 ( 0.000 -9.269 0.000) 9.269 12.849 ( 0.000 -8.598 0.000) 8.598 13.188 ( 0.000 -9.187 0.000) 9.187 13.238 ( 0.000 -10.016 0.000) 10.016 13.515 ( 0.000 16.532 0.000) 16.532 13.914 ( 0.000 -10.640 0.000) 10.640 14.349 ( 0.000 5.804 0.000) 5.804 14.422 ( 0.000 5.647 0.000) 5.647 14.768 ( 0.000 12.723 0.000) 12.723 14.939 ( 0.000 9.462 0.000) 9.462 15.546 ( 0.000 3.495 0.000) 3.495 15.701 ( 0.000 5.093 0.000) 5.093 15.929 ( 0.000 -5.695 0.000) 5.695 16.337 ( 0.000 -13.039 0.000) 13.039 16.480 ( 0.000 -8.751 0.000) 8.751 16.723 ( 0.000 -6.818 0.000) 6.818 17.362 ( 0.000 14.011 0.000) 14.011 17.862 ( 0.000 10.786 0.000) 10.786 18.241 ( 0.000 2.783 0.000) 2.783 18.672 ( 0.000 -5.495 0.000) 5.495 18.793 ( 0.000 5.340 0.000) 5.340 19.165 ( 0.000 -10.868 0.000) 10.868 19.281 ( 0.000 3.872 0.000) 3.872 19.734 ( 0.000 -14.660 0.000) 14.660 20.457 ( 0.000 9.038 0.000) 9.038 21.002 ( 0.000 -1.656 0.000) 1.656 21.709 ( 0.000 -0.191 0.000) 0.191 22.606 ( 0.000 -20.062 0.000) 20.062 23.525 ( 0.000 -13.000 0.000) 13.000 23.878 ( 0.000 -19.436 0.000) 19.436 24.347 ( 0.000 7.085 0.000) 7.085 24.791 ( 0.000 -5.124 0.000) 5.124 24.930 ( 0.000 14.517 0.000) 14.517 25.085 ( 0.000 5.241 0.000) 5.241 25.804 ( 0.000 -2.675 0.000) 2.675 25.848 ( 0.000 -3.537 0.000) 3.537 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.134 31.871 0.000) 31.871 1.480 ( 13.725 27.719 0.000) 30.931 1.687 ( -22.761 11.318 0.000) 25.420 2.238 ( -17.102 19.825 0.000) 26.182 2.532 ( 21.418 40.929 0.000) 46.195 2.540 ( 21.647 -3.231 0.000) 21.887 3.168 ( 6.848 -3.179 0.000) 7.550 3.341 ( -5.105 0.445 0.000) 5.124 3.648 ( -12.395 2.401 0.000) 12.625 3.679 ( -3.013 -2.374 0.000) 3.836 3.730 ( 3.919 -11.063 0.000) 11.736 3.782 ( -19.281 8.279 0.000) 20.983 4.050 ( 7.482 -7.317 0.000) 10.465 4.153 ( 0.027 12.485 0.000) 12.485 4.154 ( -0.375 3.583 0.000) 3.603 4.444 ( -12.971 -3.293 0.000) 13.383 4.693 ( 11.434 -13.653 0.000) 17.808 4.804 ( 10.113 -6.203 0.000) 11.864 4.956 ( -3.936 -8.767 0.000) 9.610 5.203 ( -2.613 -1.455 0.000) 2.991 5.311 ( 7.237 11.759 0.000) 13.807 5.498 ( 4.635 9.098 0.000) 10.211 5.601 ( 4.436 8.149 0.000) 9.278 5.607 ( 0.241 4.855 0.000) 4.861 5.719 ( -0.131 14.012 0.000) 14.013 5.844 ( -3.952 3.068 0.000) 5.003 5.888 ( 0.706 5.757 0.000) 5.800 5.945 ( -2.158 4.709 0.000) 5.180 6.208 ( 5.182 -1.873 0.000) 5.510 6.209 ( 1.646 9.019 0.000) 9.168 6.245 ( 3.506 4.466 0.000) 5.678 6.350 ( 3.040 -0.822 0.000) 3.150 6.415 ( -5.795 -2.541 0.000) 6.328 6.575 ( -0.458 8.797 0.000) 8.809 6.609 ( -3.087 8.694 0.000) 9.226 6.697 ( -0.153 -2.912 0.000) 2.916 6.962 ( 4.194 -2.018 0.000) 4.654 7.017 ( -1.277 5.157 0.000) 5.313 7.053 ( 1.361 6.003 0.000) 6.155 7.154 ( -8.631 -1.009 0.000) 8.690 7.185 ( -2.228 -4.966 0.000) 5.443 7.392 ( -6.085 -2.617 0.000) 6.624 7.463 ( 3.504 -10.121 0.000) 10.710 7.573 ( -2.185 -1.436 0.000) 2.615 7.605 ( 5.187 -7.388 0.000) 9.027 7.817 ( -4.106 -9.395 0.000) 10.253 7.947 ( 1.904 -8.892 0.000) 9.093 7.986 ( 4.406 -1.768 0.000) 4.748 8.190 ( 1.387 3.459 0.000) 3.727 8.416 ( -5.225 1.653 0.000) 5.480 8.539 ( 5.509 6.018 0.000) 8.159 8.731 ( -3.714 1.343 0.000) 3.950 8.749 ( 8.934 11.291 0.000) 14.398 8.911 ( -3.168 2.713 0.000) 4.171 9.020 ( -2.626 4.226 0.000) 4.976 9.204 ( 0.580 2.974 0.000) 3.030 9.262 ( -5.624 -0.539 0.000) 5.650 9.440 ( -6.786 -6.569 0.000) 9.445 9.853 ( 4.870 5.899 0.000) 7.649 9.967 ( -1.105 11.026 0.000) 11.081 10.548 ( -0.016 11.257 0.000) 11.257 10.571 ( -0.089 19.441 0.000) 19.442 10.752 ( 6.387 -3.087 0.000) 7.094 10.807 ( 3.696 -7.027 0.000) 7.940 11.099 ( -0.688 1.504 0.000) 1.653 11.294 ( -9.505 1.670 0.000) 9.650 11.561 ( 6.084 -3.963 0.000) 7.260 11.788 ( -6.058 -4.478 0.000) 7.534 11.974 ( 2.794 2.392 0.000) 3.678 12.034 ( -1.000 4.979 0.000) 5.079 12.526 ( 3.270 -13.141 0.000) 13.541 12.548 ( 7.120 -8.282 0.000) 10.922 12.635 ( -1.709 -9.583 0.000) 9.734 12.809 ( -4.526 -8.617 0.000) 9.733 13.190 ( 0.201 -9.175 0.000) 9.177 13.220 ( -1.543 -8.949 0.000) 9.081 13.618 ( 11.531 15.304 0.000) 19.162 13.979 ( 4.590 -8.733 0.000) 9.865 14.351 ( 0.106 5.533 0.000) 5.534 14.401 ( -2.723 5.628 0.000) 6.252 14.724 ( -4.670 11.364 0.000) 12.286 14.819 ( -14.416 11.630 0.000) 18.523 15.502 ( -4.509 1.177 0.000) 4.660 15.518 ( -13.958 8.164 0.000) 16.170 15.926 ( 0.169 2.721 0.000) 2.726 16.063 ( -11.350 10.163 0.000) 15.235 16.610 ( 4.781 -11.348 0.000) 12.314 16.708 ( -1.600 -7.260 0.000) 7.434 17.560 ( 16.512 4.873 0.000) 17.217 17.940 ( 6.157 6.404 0.000) 8.884 18.143 ( -7.253 4.653 0.000) 8.617 18.521 ( -14.726 -0.446 0.000) 14.733 18.869 ( 7.140 3.814 0.000) 8.095 19.163 ( -9.208 5.168 0.000) 10.559 19.241 ( 8.343 -9.083 0.000) 12.333 19.656 ( -10.521 -9.498 0.000) 14.174 20.517 ( 9.630 1.127 0.000) 9.696 20.929 ( -8.077 -2.341 0.000) 8.409 22.069 ( 28.727 -14.344 0.000) 32.109 22.584 ( -3.128 -20.592 0.000) 20.829 23.567 ( 4.883 -13.999 0.000) 14.826 23.821 ( -6.094 -18.556 0.000) 19.531 24.381 ( 3.803 6.505 0.000) 7.535 24.640 ( -10.624 3.567 0.000) 11.207 25.037 ( 5.905 6.158 0.000) 8.532 25.093 ( 0.619 5.100 0.000) 5.138 25.812 ( 0.853 -2.645 0.000) 2.779 25.844 ( -0.498 -3.293 0.000) 3.330 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -17.038 21.121 0.000) 27.136 1.286 ( 17.038 21.121 0.000) 27.136 1.848 ( -22.755 23.007 0.000) 32.359 1.848 ( 22.755 23.007 0.000) 32.359 2.856 ( -8.164 1.705 0.000) 8.340 2.856 ( 8.164 1.705 0.000) 8.340 3.176 ( -23.526 19.929 0.000) 30.832 3.176 ( 23.526 19.929 0.000) 30.832 3.516 ( -12.867 3.453 0.000) 13.322 3.516 ( 12.867 3.453 0.000) 13.322 3.742 ( -1.535 -8.660 0.000) 8.795 3.742 ( 1.535 -8.660 0.000) 8.795 4.145 ( -0.765 12.027 0.000) 12.051 4.145 ( 0.765 12.027 0.000) 12.051 4.229 ( -10.779 -9.862 0.000) 14.610 4.229 ( 10.779 -9.862 0.000) 14.610 4.860 ( -7.224 -11.577 0.000) 13.646 4.860 ( 7.224 -11.577 0.000) 13.646 5.014 ( -12.653 -4.666 0.000) 13.486 5.014 ( 12.653 -4.666 0.000) 13.486 5.497 ( -6.503 7.928 0.000) 10.254 5.497 ( 6.503 7.928 0.000) 10.254 5.630 ( -1.832 6.991 0.000) 7.228 5.630 ( 1.832 6.991 0.000) 7.228 5.751 ( -5.087 9.624 0.000) 10.886 5.751 ( 5.087 9.624 0.000) 10.886 5.910 ( -1.612 4.594 0.000) 4.869 5.910 ( 1.612 4.594 0.000) 4.869 6.234 ( -0.681 4.484 0.000) 4.535 6.234 ( 0.681 4.484 0.000) 4.535 6.325 ( -4.445 1.170 0.000) 4.597 6.325 ( 4.445 1.170 0.000) 4.597 6.523 ( -11.280 -7.429 0.000) 13.507 6.523 ( 11.280 -7.429 0.000) 13.507 6.589 ( -4.885 8.495 0.000) 9.799 6.589 ( 4.885 8.495 0.000) 9.799 6.988 ( -1.516 0.802 0.000) 1.715 6.988 ( 1.516 0.802 0.000) 1.715 7.084 ( -2.156 3.645 0.000) 4.235 7.084 ( 2.156 3.645 0.000) 4.235 7.251 ( -8.796 1.641 0.000) 8.947 7.251 ( 8.796 1.641 0.000) 8.947 7.524 ( -2.806 -7.918 0.000) 8.401 7.524 ( 2.806 -7.918 0.000) 8.401 7.717 ( -6.461 -6.687 0.000) 9.298 7.717 ( 6.461 -6.687 0.000) 9.298 7.987 ( -2.345 -4.456 0.000) 5.035 7.987 ( 2.345 -4.456 0.000) 5.035 8.297 ( -8.035 -0.853 0.000) 8.080 8.297 ( 8.035 -0.853 0.000) 8.080 8.637 ( -5.791 3.835 0.000) 6.946 8.637 ( 5.791 3.835 0.000) 6.946 8.897 ( -2.180 13.446 0.000) 13.622 8.897 ( 2.180 13.446 0.000) 13.622 9.025 ( -8.704 4.099 0.000) 9.621 9.025 ( 8.704 4.099 0.000) 9.621 9.332 ( -5.573 -7.603 0.000) 9.426 9.332 ( 5.573 -7.603 0.000) 9.426 9.928 ( -3.413 7.986 0.000) 8.685 9.928 ( 3.413 7.986 0.000) 8.685 10.558 ( -0.986 16.634 0.000) 16.663 10.558 ( 0.986 16.634 0.000) 16.663 10.843 ( -1.375 -8.167 0.000) 8.282 10.843 ( 1.375 -8.167 0.000) 8.282 11.136 ( -6.493 4.087 0.000) 7.673 11.136 ( 6.493 4.087 0.000) 7.673 11.673 ( -6.663 -4.963 0.000) 8.308 11.673 ( 6.663 -4.963 0.000) 8.308 12.012 ( -1.563 3.424 0.000) 3.764 12.012 ( 1.563 3.424 0.000) 3.764 12.588 ( -3.305 -11.181 0.000) 11.659 12.588 ( 3.305 -11.181 0.000) 11.659 12.695 ( -8.144 -8.508 0.000) 11.778 12.695 ( 8.144 -8.508 0.000) 11.778 13.198 ( -0.843 -8.820 0.000) 8.860 13.198 ( 0.843 -8.820 0.000) 8.860 13.889 ( -16.062 7.409 0.000) 17.689 13.889 ( 16.062 7.409 0.000) 17.689 14.352 ( -0.677 5.075 0.000) 5.119 14.352 ( 0.677 5.075 0.000) 5.119 14.652 ( -0.250 11.817 0.000) 11.820 14.652 ( 0.250 11.817 0.000) 11.820 15.429 ( -2.052 4.676 0.000) 5.106 15.429 ( 2.052 4.676 0.000) 5.106 15.953 ( -3.218 11.554 0.000) 11.993 15.953 ( 3.218 11.554 0.000) 11.993 16.670 ( -2.680 -8.653 0.000) 9.059 16.670 ( 2.680 -8.653 0.000) 9.059 17.836 ( -14.174 1.822 0.000) 14.291 17.836 ( 14.174 1.822 0.000) 14.291 18.246 ( -14.823 4.762 0.000) 15.569 18.246 ( 14.823 4.762 0.000) 15.569 19.009 ( -8.419 3.515 0.000) 9.123 19.009 ( 8.419 3.515 0.000) 9.123 19.434 ( -12.866 -7.252 0.000) 14.769 19.434 ( 12.866 -7.252 0.000) 14.769 20.737 ( -13.102 -3.087 0.000) 13.461 20.737 ( 13.102 -3.087 0.000) 13.461 22.452 ( -13.639 -21.298 0.000) 25.291 22.452 ( 13.639 -21.298 0.000) 25.291 23.688 ( -8.213 -16.519 0.000) 18.448 23.688 ( 8.213 -16.519 0.000) 18.448 24.479 ( -7.417 5.707 0.000) 9.359 24.479 ( 7.417 5.707 0.000) 9.359 25.094 ( -0.983 4.866 0.000) 4.964 25.094 ( 0.983 4.866 0.000) 4.964 25.830 ( -1.020 -2.844 0.000) 3.021 25.830 ( 1.020 -2.844 0.000) 3.021 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 28.869 0.000) 28.869 1.917 ( 0.000 26.741 0.000) 26.741 2.248 ( 0.000 8.608 0.000) 8.608 2.280 ( 0.000 14.668 0.000) 14.668 2.743 ( 0.000 8.710 0.000) 8.710 3.084 ( 0.000 -0.410 0.000) 0.410 3.225 ( 0.000 43.237 0.000) 43.237 3.400 ( 0.000 1.259 0.000) 1.259 3.446 ( 0.000 -3.082 0.000) 3.082 3.470 ( 0.000 -11.427 0.000) 11.427 3.744 ( 0.000 -14.589 0.000) 14.589 3.846 ( 0.000 8.457 0.000) 8.457 4.055 ( 0.000 -9.970 0.000) 9.970 4.082 ( 0.000 -3.222 0.000) 3.222 4.284 ( 0.000 -8.741 0.000) 8.741 4.451 ( 0.000 11.413 0.000) 11.413 4.571 ( 0.000 -8.356 0.000) 8.356 4.800 ( 0.000 10.763 0.000) 10.763 4.836 ( 0.000 -5.914 0.000) 5.914 5.188 ( 0.000 -14.540 0.000) 14.540 5.290 ( 0.000 10.326 0.000) 10.326 5.579 ( 0.000 -3.407 0.000) 3.407 5.654 ( 0.000 9.781 0.000) 9.781 5.775 ( 0.000 5.654 0.000) 5.654 5.911 ( 0.000 11.019 0.000) 11.019 5.920 ( 0.000 0.234 0.000) 0.234 6.002 ( 0.000 7.730 0.000) 7.730 6.123 ( 0.000 2.247 0.000) 2.247 6.139 ( 0.000 9.017 0.000) 9.017 6.285 ( 0.000 -13.342 0.000) 13.342 6.317 ( 0.000 3.521 0.000) 3.521 6.391 ( 0.000 8.425 0.000) 8.425 6.421 ( 0.000 3.346 0.000) 3.346 6.595 ( 0.000 -8.267 0.000) 8.267 6.734 ( 0.000 7.403 0.000) 7.403 6.879 ( 0.000 0.206 0.000) 0.206 6.911 ( 0.000 15.166 0.000) 15.166 7.066 ( 0.000 2.327 0.000) 2.327 7.089 ( 0.000 -5.102 0.000) 5.102 7.198 ( 0.000 0.409 0.000) 0.409 7.256 ( 0.000 -1.767 0.000) 1.767 7.320 ( 0.000 5.519 0.000) 5.519 7.326 ( 0.000 -3.327 0.000) 3.327 7.432 ( 0.000 -5.028 0.000) 5.028 7.571 ( 0.000 -11.528 0.000) 11.528 7.605 ( 0.000 -2.862 0.000) 2.862 7.725 ( 0.000 -8.403 0.000) 8.403 7.923 ( 0.000 -1.510 0.000) 1.510 8.375 ( 0.000 8.729 0.000) 8.729 8.566 ( 0.000 5.455 0.000) 5.455 8.606 ( 0.000 6.356 0.000) 6.356 8.757 ( 0.000 0.858 0.000) 0.858 8.845 ( 0.000 9.329 0.000) 9.329 8.881 ( 0.000 -3.794 0.000) 3.794 9.047 ( 0.000 -4.010 0.000) 4.010 9.119 ( 0.000 -2.590 0.000) 2.590 9.498 ( 0.000 7.508 0.000) 7.508 9.534 ( 0.000 8.750 0.000) 8.750 9.827 ( 0.000 -2.177 0.000) 2.177 10.166 ( 0.000 6.191 0.000) 6.191 10.618 ( 0.000 -2.727 0.000) 2.727 10.636 ( 0.000 -8.043 0.000) 8.043 10.710 ( 0.000 9.068 0.000) 9.068 10.984 ( 0.000 18.395 0.000) 18.395 11.117 ( 0.000 -0.308 0.000) 0.308 11.420 ( 0.000 0.469 0.000) 0.469 11.470 ( 0.000 2.519 0.000) 2.519 11.767 ( 0.000 -5.376 0.000) 5.376 11.937 ( 0.000 -3.031 0.000) 3.031 12.125 ( 0.000 1.876 0.000) 1.876 12.190 ( 0.000 -15.780 0.000) 15.780 12.395 ( 0.000 1.673 0.000) 1.673 12.440 ( 0.000 -11.788 0.000) 11.788 12.728 ( 0.000 -2.900 0.000) 2.900 12.996 ( 0.000 -10.747 0.000) 10.747 13.044 ( 0.000 -9.731 0.000) 9.731 13.690 ( 0.000 2.117 0.000) 2.117 13.723 ( 0.000 -8.156 0.000) 8.156 14.460 ( 0.000 5.170 0.000) 5.170 14.515 ( 0.000 3.574 0.000) 3.574 15.066 ( 0.000 16.159 0.000) 16.159 15.124 ( 0.000 9.243 0.000) 9.243 15.597 ( 0.000 1.875 0.000) 1.875 15.818 ( 0.000 6.693 0.000) 6.693 15.840 ( 0.000 -2.606 0.000) 2.606 16.087 ( 0.000 -12.761 0.000) 12.761 16.296 ( 0.000 -9.399 0.000) 9.399 16.549 ( 0.000 -10.764 0.000) 10.764 17.630 ( 0.000 13.388 0.000) 13.388 18.055 ( 0.000 5.267 0.000) 5.267 18.349 ( 0.000 11.275 0.000) 11.275 18.605 ( 0.000 -1.267 0.000) 1.267 18.839 ( 0.000 -3.577 0.000) 3.577 19.049 ( 0.000 1.896 0.000) 1.896 19.318 ( 0.000 -0.177 0.000) 0.177 19.417 ( 0.000 -17.825 0.000) 17.825 20.629 ( 0.000 8.389 0.000) 8.389 20.957 ( 0.000 -3.091 0.000) 3.091 21.724 ( 0.000 2.128 0.000) 2.128 22.250 ( 0.000 -16.479 0.000) 16.479 23.331 ( 0.000 -6.962 0.000) 6.962 23.538 ( 0.000 -14.859 0.000) 14.859 24.448 ( 0.000 3.749 0.000) 3.749 24.685 ( 0.000 -5.551 0.000) 5.551 25.149 ( 0.000 8.124 0.000) 8.124 25.178 ( 0.000 4.228 0.000) 4.228 25.756 ( 0.000 -2.140 0.000) 2.140 25.781 ( 0.000 -3.083 0.000) 3.083 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.658 30.566 0.000) 30.573 1.947 ( -6.070 22.352 0.000) 23.162 2.070 ( 3.259 23.833 0.000) 24.055 2.535 ( 14.963 2.850 0.000) 15.232 2.584 ( -15.261 14.654 0.000) 21.158 2.990 ( -9.421 -6.426 0.000) 11.403 3.348 ( 11.231 32.056 0.000) 33.967 3.475 ( 7.690 10.561 0.000) 13.064 3.483 ( 1.163 -11.462 0.000) 11.521 3.501 ( 4.924 -9.141 0.000) 10.383 3.786 ( -6.223 8.317 0.000) 10.387 3.837 ( 9.789 -10.939 0.000) 14.679 3.885 ( -13.967 -1.428 0.000) 14.040 4.100 ( 0.546 -3.842 0.000) 3.880 4.422 ( 10.232 -13.155 0.000) 16.666 4.435 ( -1.355 11.510 0.000) 11.590 4.628 ( 4.997 -10.779 0.000) 11.881 4.629 ( -14.245 15.906 0.000) 21.352 4.787 ( -3.729 -6.066 0.000) 7.121 5.057 ( -10.404 -12.607 0.000) 16.346 5.464 ( 12.204 4.718 0.000) 13.085 5.613 ( 3.206 -2.982 0.000) 4.379 5.687 ( 1.779 7.727 0.000) 7.929 5.749 ( -2.957 4.184 0.000) 5.124 5.921 ( 1.172 3.913 0.000) 4.084 5.935 ( 2.473 9.264 0.000) 9.589 6.006 ( 0.099 7.363 0.000) 7.363 6.095 ( -4.584 9.370 0.000) 10.431 6.192 ( 7.445 1.304 0.000) 7.558 6.288 ( 0.526 -8.805 0.000) 8.821 6.315 ( 0.513 1.565 0.000) 1.647 6.376 ( -1.536 7.408 0.000) 7.566 6.397 ( -2.437 3.504 0.000) 4.268 6.559 ( -4.948 -7.153 0.000) 8.698 6.741 ( 0.772 7.633 0.000) 7.672 6.833 ( -3.645 5.589 0.000) 6.673 6.962 ( 2.605 5.074 0.000) 5.703 7.034 ( -2.585 0.448 0.000) 2.624 7.142 ( 6.009 0.124 0.000) 6.011 7.166 ( -1.561 0.939 0.000) 1.822 7.247 ( -2.300 7.229 0.000) 7.586 7.302 ( 0.530 -5.308 0.000) 5.334 7.304 ( -1.030 -4.026 0.000) 4.156 7.496 ( 5.921 -3.287 0.000) 6.772 7.513 ( -7.794 -4.290 0.000) 8.897 7.629 ( 2.396 -8.211 0.000) 8.554 7.801 ( 6.220 -6.005 0.000) 8.645 7.936 ( 1.145 -3.655 0.000) 3.830 8.291 ( -5.370 5.818 0.000) 7.917 8.444 ( -9.885 1.019 0.000) 9.938 8.661 ( 3.669 6.993 0.000) 7.897 8.763 ( -1.555 2.317 0.000) 2.790 8.947 ( 10.790 8.585 0.000) 13.789 8.965 ( 8.216 3.745 0.000) 9.029 9.064 ( 1.662 -1.987 0.000) 2.591 9.128 ( 1.125 -5.455 0.000) 5.569 9.403 ( -11.475 5.367 0.000) 12.668 9.404 ( -9.984 8.238 0.000) 12.943 9.914 ( 7.050 0.830 0.000) 7.099 10.125 ( -4.228 5.051 0.000) 6.587 10.647 ( 2.521 -4.923 0.000) 5.531 10.653 ( 1.602 -7.935 0.000) 8.095 10.768 ( 5.732 10.628 0.000) 12.075 10.955 ( -3.216 17.149 0.000) 17.448 11.140 ( 2.801 1.918 0.000) 3.395 11.349 ( -6.414 3.490 0.000) 7.302 11.512 ( 3.356 -0.962 0.000) 3.491 11.694 ( -6.354 -5.013 0.000) 8.094 11.975 ( 2.754 -3.533 0.000) 4.480 12.060 ( -3.716 -3.858 0.000) 5.357 12.272 ( 5.546 -10.889 0.000) 12.220 12.404 ( -1.378 -10.234 0.000) 10.326 12.475 ( 5.611 -0.556 0.000) 5.638 12.692 ( -3.968 -2.281 0.000) 4.577 13.001 ( 0.609 -10.193 0.000) 10.211 13.034 ( -0.978 -9.589 0.000) 9.639 13.761 ( 7.403 0.591 0.000) 7.427 13.803 ( 7.460 -8.166 0.000) 11.060 14.454 ( -0.794 4.652 0.000) 4.719 14.493 ( -2.570 3.527 0.000) 4.364 14.986 ( -7.563 13.743 0.000) 15.687 15.024 ( -9.982 9.540 0.000) 13.808 15.537 ( -2.698 3.035 0.000) 4.061 15.663 ( -10.473 6.973 0.000) 12.582 15.964 ( 9.366 1.249 0.000) 9.449 16.126 ( 0.728 -1.724 0.000) 1.871 16.360 ( 5.832 -12.841 0.000) 14.103 16.524 ( -2.785 -11.284 0.000) 11.622 17.721 ( 9.333 10.089 0.000) 13.744 18.040 ( -2.988 2.417 0.000) 3.843 18.289 ( -3.515 10.245 0.000) 10.831 18.501 ( -9.982 -0.686 0.000) 10.005 18.917 ( 7.948 0.797 0.000) 7.988 19.140 ( 9.135 -0.474 0.000) 9.148 19.226 ( -7.288 0.545 0.000) 7.308 19.450 ( -1.771 -11.391 0.000) 11.527 20.583 ( -0.433 5.152 0.000) 5.170 20.872 ( -8.990 -3.536 0.000) 9.660 21.903 ( 15.618 -4.171 0.000) 16.165 22.235 ( -2.290 -15.272 0.000) 15.443 23.354 ( 2.670 -7.944 0.000) 8.381 23.503 ( -3.811 -13.654 0.000) 14.176 24.467 ( 2.314 2.872 0.000) 3.688 24.628 ( -5.493 -2.969 0.000) 6.244 25.171 ( 1.681 6.099 0.000) 6.326 25.183 ( 0.511 4.121 0.000) 4.153 25.765 ( 0.865 -2.075 0.000) 2.248 25.783 ( 0.052 -2.778 0.000) 2.778 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -6.448 28.651 0.000) 29.368 1.791 ( 6.448 28.651 0.000) 29.368 2.292 ( -16.522 21.203 0.000) 26.880 2.292 ( 16.522 21.203 0.000) 26.880 2.784 ( -13.353 -4.409 0.000) 14.062 2.784 ( 13.353 -4.409 0.000) 14.062 3.490 ( -1.588 -7.221 0.000) 7.393 3.490 ( 1.588 -7.221 0.000) 7.393 3.628 ( -13.375 12.013 0.000) 17.978 3.628 ( 13.375 12.013 0.000) 17.978 3.650 ( -9.634 7.267 0.000) 12.068 3.650 ( 9.634 7.267 0.000) 12.068 4.030 ( -9.580 -5.579 0.000) 11.086 4.030 ( 9.580 -5.579 0.000) 11.086 4.440 ( -3.824 12.315 0.000) 12.895 4.440 ( 3.824 12.315 0.000) 12.895 4.597 ( -7.769 -10.771 0.000) 13.280 4.597 ( 7.769 -10.771 0.000) 13.280 4.859 ( -10.821 -9.785 0.000) 14.588 4.859 ( 10.821 -9.785 0.000) 14.588 5.640 ( -6.715 2.387 0.000) 7.127 5.640 ( 6.715 2.387 0.000) 7.127 5.683 ( -3.888 1.005 0.000) 4.015 5.683 ( 3.888 1.005 0.000) 4.015 5.968 ( -0.857 9.650 0.000) 9.688 5.968 ( 0.857 9.650 0.000) 9.688 6.010 ( -2.823 6.997 0.000) 7.545 6.010 ( 2.823 6.997 0.000) 7.545 6.292 ( -1.323 0.148 0.000) 1.332 6.292 ( 1.323 0.148 0.000) 1.332 6.359 ( -0.693 4.127 0.000) 4.185 6.359 ( 0.693 4.127 0.000) 4.185 6.410 ( -10.594 -4.620 0.000) 11.558 6.410 ( 10.594 -4.620 0.000) 11.558 6.768 ( -2.669 7.525 0.000) 7.984 6.768 ( 2.669 7.525 0.000) 7.984 6.996 ( -1.738 0.628 0.000) 1.848 6.996 ( 1.738 0.628 0.000) 1.848 7.187 ( -3.550 6.356 0.000) 7.281 7.187 ( 3.550 6.356 0.000) 7.281 7.263 ( -4.803 -1.281 0.000) 4.971 7.263 ( 4.803 -1.281 0.000) 4.971 7.365 ( -7.135 -7.058 0.000) 10.036 7.365 ( 7.135 -7.058 0.000) 10.036 7.603 ( -4.764 -3.742 0.000) 6.057 7.603 ( 4.764 -3.742 0.000) 6.057 7.908 ( -5.019 -4.627 0.000) 6.826 7.908 ( 5.019 -4.627 0.000) 6.826 8.292 ( -5.942 0.547 0.000) 5.967 8.292 ( 5.942 0.547 0.000) 5.967 8.718 ( -3.051 5.097 0.000) 5.941 8.718 ( 3.051 5.097 0.000) 5.941 9.068 ( -1.036 3.298 0.000) 3.457 9.068 ( 1.036 3.298 0.000) 3.457 9.184 ( -11.873 10.065 0.000) 15.565 9.184 ( 11.873 10.065 0.000) 15.565 9.207 ( -7.677 -2.829 0.000) 8.181 9.207 ( 7.677 -2.829 0.000) 8.181 10.032 ( -6.183 3.219 0.000) 6.971 10.032 ( 6.183 3.219 0.000) 6.971 10.673 ( -0.071 -7.770 0.000) 7.771 10.673 ( 0.071 -7.770 0.000) 7.771 10.875 ( -5.725 14.361 0.000) 15.460 10.875 ( 5.725 14.361 0.000) 15.460 11.225 ( -6.769 4.305 0.000) 8.022 11.225 ( 6.769 4.305 0.000) 8.022 11.586 ( -5.333 -3.740 0.000) 6.513 11.586 ( 5.333 -3.740 0.000) 6.513 12.014 ( -1.908 -4.076 0.000) 4.500 12.014 ( 1.908 -4.076 0.000) 4.500 12.355 ( -3.848 -11.732 0.000) 12.347 12.355 ( 3.848 -11.732 0.000) 12.347 12.595 ( -6.825 -0.437 0.000) 6.839 12.595 ( 6.825 -0.437 0.000) 6.839 13.015 ( -0.975 -9.594 0.000) 9.643 13.015 ( 0.975 -9.594 0.000) 9.643 13.876 ( -2.156 -5.045 0.000) 5.487 13.876 ( 2.156 -5.045 0.000) 5.487 14.446 ( -1.142 4.012 0.000) 4.171 14.446 ( 1.142 4.012 0.000) 4.171 14.901 ( -0.781 11.986 0.000) 12.012 14.901 ( 0.781 11.986 0.000) 12.012 15.544 ( -3.342 6.862 0.000) 7.633 15.544 ( 3.342 6.862 0.000) 7.633 16.092 ( -4.643 3.110 0.000) 5.588 16.092 ( 4.643 3.110 0.000) 5.588 16.457 ( -4.781 -12.456 0.000) 13.342 16.457 ( 4.781 -12.456 0.000) 13.342 17.909 ( -10.771 4.832 0.000) 11.805 17.909 ( 10.771 4.832 0.000) 11.805 18.329 ( -7.743 3.645 0.000) 8.558 18.329 ( 7.743 3.645 0.000) 8.558 19.079 ( -9.412 3.462 0.000) 10.029 19.079 ( 9.412 3.462 0.000) 10.029 19.324 ( -10.636 -4.280 0.000) 11.465 19.324 ( 10.636 -4.280 0.000) 11.465 20.685 ( -10.489 -2.015 0.000) 10.680 20.685 ( 10.489 -2.015 0.000) 10.680 22.138 ( -9.597 -11.624 0.000) 15.073 22.138 ( 9.597 -11.624 0.000) 15.073 23.422 ( -4.766 -10.690 0.000) 11.705 23.422 ( 4.766 -10.690 0.000) 11.705 24.531 ( -4.897 0.532 0.000) 4.926 24.531 ( 4.897 0.532 0.000) 4.926 25.188 ( -0.189 4.329 0.000) 4.333 25.188 ( 0.189 4.329 0.000) 4.333 25.779 ( -0.571 -2.250 0.000) 2.322 25.779 ( 0.571 -2.250 0.000) 2.322 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.000 18.299 0.000) 18.299 2.322 ( 0.000 12.105 0.000) 12.105 2.472 ( 0.000 13.297 0.000) 13.297 2.587 ( 0.000 15.475 0.000) 15.475 2.710 ( 0.000 -9.641 0.000) 9.641 2.890 ( 0.000 -15.554 0.000) 15.554 3.290 ( 0.000 -3.664 0.000) 3.664 3.416 ( 0.000 -13.030 0.000) 13.030 3.527 ( 0.000 13.356 0.000) 13.356 3.618 ( 0.000 12.194 0.000) 12.194 3.802 ( 0.000 -13.663 0.000) 13.663 3.896 ( 0.000 -14.223 0.000) 14.223 4.036 ( 0.000 33.461 0.000) 33.461 4.079 ( 0.000 12.742 0.000) 12.742 4.260 ( 0.000 4.689 0.000) 4.689 4.398 ( 0.000 -8.818 0.000) 8.818 4.414 ( 0.000 -8.917 0.000) 8.917 4.707 ( 0.000 -23.573 0.000) 23.573 4.932 ( 0.000 10.732 0.000) 10.732 5.038 ( 0.000 0.374 0.000) 0.374 5.437 ( 0.000 5.003 0.000) 5.003 5.507 ( 0.000 -3.125 0.000) 3.125 5.827 ( 0.000 5.955 0.000) 5.955 5.851 ( 0.000 2.607 0.000) 2.607 5.921 ( 0.000 1.212 0.000) 1.212 6.031 ( 0.000 -10.828 0.000) 10.828 6.061 ( 0.000 4.234 0.000) 4.234 6.104 ( 0.000 0.823 0.000) 0.823 6.180 ( 0.000 5.043 0.000) 5.043 6.261 ( 0.000 1.716 0.000) 1.716 6.362 ( 0.000 1.614 0.000) 1.614 6.421 ( 0.000 -7.466 0.000) 7.466 6.475 ( 0.000 2.154 0.000) 2.154 6.489 ( 0.000 1.503 0.000) 1.503 6.846 ( 0.000 3.851 0.000) 3.851 6.884 ( 0.000 -0.386 0.000) 0.386 7.058 ( 0.000 1.880 0.000) 1.880 7.104 ( 0.000 3.722 0.000) 3.722 7.114 ( 0.000 1.820 0.000) 1.820 7.135 ( 0.000 -5.544 0.000) 5.544 7.283 ( 0.000 4.111 0.000) 4.111 7.321 ( 0.000 6.649 0.000) 6.649 7.338 ( 0.000 -4.100 0.000) 4.100 7.412 ( 0.000 -1.243 0.000) 1.243 7.417 ( 0.000 -3.853 0.000) 3.853 7.500 ( 0.000 -7.929 0.000) 7.929 7.709 ( 0.000 6.974 0.000) 6.974 7.852 ( 0.000 -5.959 0.000) 5.959 8.534 ( 0.000 7.150 0.000) 7.150 8.621 ( 0.000 -0.977 0.000) 0.977 8.710 ( 0.000 4.272 0.000) 4.272 8.767 ( 0.000 -1.202 0.000) 1.202 8.850 ( 0.000 1.689 0.000) 1.689 8.935 ( 0.000 -6.088 0.000) 6.088 9.005 ( 0.000 6.391 0.000) 6.391 9.077 ( 0.000 -1.826 0.000) 1.826 9.616 ( 0.000 5.237 0.000) 5.237 9.731 ( 0.000 -6.542 0.000) 6.542 9.818 ( 0.000 18.266 0.000) 18.266 10.135 ( 0.000 -11.141 0.000) 11.141 10.525 ( 0.000 -1.106 0.000) 1.106 10.559 ( 0.000 -3.055 0.000) 3.055 10.903 ( 0.000 10.298 0.000) 10.298 11.066 ( 0.000 -5.646 0.000) 5.646 11.286 ( 0.000 11.922 0.000) 11.922 11.416 ( 0.000 -2.018 0.000) 2.018 11.553 ( 0.000 5.449 0.000) 5.449 11.661 ( 0.000 -5.506 0.000) 5.506 11.858 ( 0.000 -2.290 0.000) 2.290 11.930 ( 0.000 -9.839 0.000) 9.839 12.143 ( 0.000 1.461 0.000) 1.461 12.234 ( 0.000 -8.386 0.000) 8.386 12.537 ( 0.000 11.091 0.000) 11.091 12.748 ( 0.000 4.393 0.000) 4.393 12.771 ( 0.000 -12.346 0.000) 12.346 12.871 ( 0.000 -7.931 0.000) 7.931 13.630 ( 0.000 -1.095 0.000) 1.095 13.662 ( 0.000 -3.167 0.000) 3.167 14.536 ( 0.000 2.477 0.000) 2.477 14.555 ( 0.000 0.524 0.000) 0.524 15.277 ( 0.000 5.852 0.000) 5.852 15.299 ( 0.000 5.555 0.000) 5.555 15.658 ( 0.000 6.261 0.000) 6.261 15.847 ( 0.000 -11.870 0.000) 11.870 15.848 ( 0.000 3.184 0.000) 3.184 15.908 ( 0.000 0.070 0.000) 0.070 16.187 ( 0.000 1.147 0.000) 1.147 16.331 ( 0.000 -10.942 0.000) 10.942 17.867 ( 0.000 10.780 0.000) 10.780 18.032 ( 0.000 -5.856 0.000) 5.856 18.625 ( 0.000 3.254 0.000) 3.254 18.672 ( 0.000 19.591 0.000) 19.591 18.721 ( 0.000 -6.345 0.000) 6.345 19.054 ( 0.000 -19.514 0.000) 19.514 19.160 ( 0.000 6.906 0.000) 6.906 19.274 ( 0.000 -4.364 0.000) 4.364 20.773 ( 0.000 6.527 0.000) 6.527 20.881 ( 0.000 -4.700 0.000) 4.700 21.804 ( 0.000 6.375 0.000) 6.375 21.977 ( 0.000 -11.612 0.000) 11.612 23.259 ( 0.000 -0.356 0.000) 0.356 23.323 ( 0.000 -7.189 0.000) 7.189 24.512 ( 0.000 3.308 0.000) 3.308 24.586 ( 0.000 -4.541 0.000) 4.541 25.242 ( 0.000 2.128 0.000) 2.128 25.246 ( 0.000 2.082 0.000) 2.082 25.728 ( 0.000 -0.561 0.000) 0.561 25.737 ( 0.000 -1.419 0.000) 1.419 ======================= Grid point 21 (14/90) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.052 20.442 0.000) 20.544 2.369 ( 1.647 16.681 0.000) 16.762 2.425 ( 0.103 12.094 0.000) 12.094 2.645 ( 4.817 7.790 0.000) 9.158 2.668 ( -4.787 -6.482 0.000) 8.058 2.841 ( -5.203 -10.504 0.000) 11.722 3.303 ( 1.414 -3.347 0.000) 3.634 3.384 ( -2.989 -0.969 0.000) 3.142 3.492 ( 0.159 -5.158 0.000) 5.161 3.687 ( -8.599 -14.567 0.000) 16.916 3.731 ( 8.350 14.067 0.000) 16.359 3.932 ( -0.790 -0.120 0.000) 0.799 4.107 ( 6.850 27.403 0.000) 28.246 4.109 ( 4.095 3.184 0.000) 5.187 4.279 ( 1.317 2.816 0.000) 3.109 4.326 ( -4.498 -12.739 0.000) 13.509 4.491 ( 5.062 -7.666 0.000) 9.187 4.668 ( -4.129 -19.010 0.000) 19.453 4.883 ( -4.254 10.907 0.000) 11.707 4.945 ( -7.929 5.309 0.000) 9.542 5.515 ( 6.778 1.106 0.000) 6.868 5.550 ( 4.157 -2.920 0.000) 5.081 5.738 ( -6.060 -0.752 0.000) 6.107 5.750 ( -7.320 -2.271 0.000) 7.664 6.029 ( 7.559 6.138 0.000) 9.737 6.071 ( 1.237 4.093 0.000) 4.275 6.126 ( 1.417 3.163 0.000) 3.465 6.147 ( 8.753 -4.592 0.000) 9.885 6.207 ( 3.211 0.855 0.000) 3.322 6.231 ( -3.440 2.953 0.000) 4.533 6.343 ( -1.401 2.001 0.000) 2.443 6.406 ( -2.918 -5.877 0.000) 6.562 6.454 ( -1.759 2.323 0.000) 2.914 6.474 ( -0.777 0.988 0.000) 1.257 6.851 ( 0.551 3.534 0.000) 3.576 6.878 ( -0.656 0.525 0.000) 0.840 7.043 ( -2.157 1.603 0.000) 2.688 7.048 ( -3.266 0.603 0.000) 3.321 7.127 ( 2.524 0.660 0.000) 2.609 7.190 ( 1.677 -4.782 0.000) 5.068 7.241 ( -2.508 1.466 0.000) 2.905 7.280 ( -3.896 -3.209 0.000) 5.047 7.294 ( 1.238 6.107 0.000) 6.232 7.406 ( -2.195 -5.350 0.000) 5.783 7.548 ( 8.106 0.305 0.000) 8.112 7.567 ( 5.539 3.679 0.000) 6.650 7.723 ( 2.300 0.410 0.000) 2.336 7.834 ( -1.721 -6.891 0.000) 7.102 8.389 ( -9.559 4.069 0.000) 10.389 8.443 ( -11.678 -1.396 0.000) 11.761 8.804 ( 3.811 6.995 0.000) 7.966 8.826 ( 0.735 3.849 0.000) 3.919 8.958 ( 2.745 -5.240 0.000) 5.916 8.968 ( 8.693 -5.016 0.000) 10.036 9.085 ( 9.480 3.781 0.000) 10.206 9.093 ( 4.357 2.281 0.000) 4.918 9.524 ( -9.695 4.165 0.000) 10.551 9.545 ( -13.511 3.996 0.000) 14.089 9.958 ( 8.334 6.712 0.000) 10.700 10.129 ( -1.280 -6.144 0.000) 6.276 10.526 ( 0.340 -2.637 0.000) 2.659 10.555 ( -0.523 -4.060 0.000) 4.094 10.972 ( 7.077 9.630 0.000) 11.951 11.108 ( 4.219 -3.474 0.000) 5.465 11.260 ( -2.875 11.105 0.000) 11.471 11.385 ( -4.230 -1.365 0.000) 4.445 11.531 ( -1.385 2.901 0.000) 3.214 11.603 ( -4.882 -4.247 0.000) 6.470 11.882 ( 1.828 -3.440 0.000) 3.896 11.916 ( -0.989 -7.035 0.000) 7.105 12.157 ( 1.249 -1.627 0.000) 2.051 12.212 ( -1.971 -7.374 0.000) 7.633 12.586 ( 4.711 9.454 0.000) 10.563 12.722 ( -2.214 3.742 0.000) 4.348 12.800 ( 2.226 -9.698 0.000) 9.950 12.862 ( -1.037 -7.996 0.000) 8.063 13.700 ( 6.754 -1.955 0.000) 7.032 13.719 ( 5.590 -3.033 0.000) 6.360 14.520 ( -1.737 2.065 0.000) 2.698 14.533 ( -2.335 0.668 0.000) 2.429 15.170 ( -9.216 4.854 0.000) 10.416 15.178 ( -10.008 4.829 0.000) 11.112 15.638 ( 0.296 7.229 0.000) 7.235 15.745 ( -5.278 -0.722 0.000) 5.327 15.989 ( 10.197 1.732 0.000) 10.343 16.047 ( 7.638 -4.798 0.000) 9.020 16.201 ( 1.743 -1.337 0.000) 2.197 16.305 ( -2.706 -10.143 0.000) 10.498 17.906 ( 4.131 8.365 0.000) 9.329 18.026 ( -0.852 -3.687 0.000) 3.784 18.462 ( -10.292 5.539 0.000) 11.688 18.500 ( -10.022 0.103 0.000) 10.022 18.961 ( 13.662 5.864 0.000) 14.867 19.137 ( 4.530 -9.892 0.000) 10.880 19.191 ( 3.388 4.287 0.000) 5.464 19.278 ( 0.676 -5.189 0.000) 5.233 20.692 ( -6.262 5.665 0.000) 8.444 20.793 ( -8.603 -4.672 0.000) 9.790 21.888 ( 7.406 2.514 0.000) 7.821 22.000 ( 1.553 -9.047 0.000) 9.179 23.264 ( 0.600 -1.288 0.000) 1.420 23.310 ( -1.429 -6.161 0.000) 6.324 24.513 ( 0.313 2.281 0.000) 2.302 24.565 ( -2.101 -3.134 0.000) 3.773 25.243 ( 0.169 1.894 0.000) 1.902 25.247 ( 0.074 1.739 0.000) 1.740 25.738 ( 0.865 -0.590 0.000) 1.047 25.744 ( 0.594 -1.180 0.000) 1.321 ======================= Grid point 22 (15/90) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -3.860 23.043 0.000) 23.364 2.313 ( 3.860 23.043 0.000) 23.364 2.546 ( -8.600 1.442 0.000) 8.720 2.546 ( 8.600 1.442 0.000) 8.720 2.738 ( -5.789 -1.386 0.000) 5.952 2.738 ( 5.789 -1.386 0.000) 5.952 3.336 ( -2.332 -1.268 0.000) 2.654 3.336 ( 2.332 -1.268 0.000) 2.654 3.551 ( -6.189 -12.559 0.000) 14.001 3.551 ( 6.189 -12.559 0.000) 14.001 3.863 ( -6.232 10.828 0.000) 12.494 3.863 ( 6.232 10.828 0.000) 12.494 4.184 ( -1.687 8.910 0.000) 9.068 4.184 ( 1.687 8.910 0.000) 9.068 4.276 ( -0.689 -6.414 0.000) 6.451 4.276 ( 0.689 -6.414 0.000) 6.451 4.582 ( -5.209 -11.343 0.000) 12.482 4.582 ( 5.209 -11.343 0.000) 12.482 4.847 ( -1.703 10.438 0.000) 10.576 4.847 ( 1.703 10.438 0.000) 10.576 5.619 ( -1.099 -5.104 0.000) 5.221 5.619 ( 1.099 -5.104 0.000) 5.221 5.650 ( -0.443 -0.238 0.000) 0.502 5.650 ( 0.443 -0.238 0.000) 0.502 6.107 ( -2.625 4.981 0.000) 5.630 6.107 ( 2.625 4.981 0.000) 5.630 6.143 ( -5.642 4.085 0.000) 6.965 6.143 ( 5.642 4.085 0.000) 6.965 6.284 ( -4.181 -2.042 0.000) 4.653 6.284 ( 4.181 -2.042 0.000) 4.653 6.313 ( -5.278 -1.995 0.000) 5.643 6.313 ( 5.278 -1.995 0.000) 5.643 6.455 ( -1.747 3.327 0.000) 3.757 6.455 ( 1.747 3.327 0.000) 3.757 6.863 ( -0.847 2.434 0.000) 2.577 6.863 ( 0.847 2.434 0.000) 2.577 7.018 ( -0.079 0.891 0.000) 0.895 7.018 ( 0.079 0.891 0.000) 0.895 7.169 ( -2.568 -3.303 0.000) 4.184 7.169 ( 2.568 -3.303 0.000) 4.184 7.245 ( -1.025 -2.295 0.000) 2.514 7.245 ( 1.025 -2.295 0.000) 2.514 7.341 ( -4.229 2.187 0.000) 4.761 7.341 ( 4.229 2.187 0.000) 4.761 7.623 ( -0.014 5.643 0.000) 5.643 7.623 ( 0.014 5.643 0.000) 5.643 7.791 ( -3.835 -7.158 0.000) 8.121 7.791 ( 3.835 -7.158 0.000) 8.121 8.307 ( -1.929 0.600 0.000) 2.020 8.307 ( 1.929 0.600 0.000) 2.020 8.830 ( -0.272 5.706 0.000) 5.712 8.830 ( 0.272 5.706 0.000) 5.712 9.000 ( -1.562 -5.760 0.000) 5.968 9.000 ( 1.562 -5.760 0.000) 5.968 9.266 ( -2.983 3.901 0.000) 4.911 9.266 ( 2.983 3.901 0.000) 4.911 9.334 ( -2.313 4.320 0.000) 4.900 9.334 ( 2.313 4.320 0.000) 4.900 10.075 ( -4.920 1.510 0.000) 5.146 10.075 ( 4.920 1.510 0.000) 5.146 10.540 ( -1.085 -4.648 0.000) 4.773 10.540 ( 1.085 -4.648 0.000) 4.773 11.108 ( -6.639 8.168 0.000) 10.525 11.108 ( 6.639 8.168 0.000) 10.525 11.274 ( -6.563 0.437 0.000) 6.578 11.274 ( 6.563 0.437 0.000) 6.578 11.536 ( -2.179 -1.369 0.000) 2.574 11.536 ( 2.179 -1.369 0.000) 2.574 11.904 ( -0.642 -4.637 0.000) 4.681 11.904 ( 0.642 -4.637 0.000) 4.681 12.180 ( -1.512 -5.292 0.000) 5.504 12.180 ( 1.512 -5.292 0.000) 5.504 12.668 ( -4.064 6.568 0.000) 7.723 12.668 ( 4.064 6.568 0.000) 7.723 12.836 ( -1.810 -8.602 0.000) 8.790 12.836 ( 1.810 -8.602 0.000) 8.790 13.785 ( -0.494 -2.993 0.000) 3.033 13.785 ( 0.494 -2.993 0.000) 3.033 14.498 ( -0.428 1.307 0.000) 1.375 14.498 ( 0.428 1.307 0.000) 1.375 15.072 ( -0.153 4.919 0.000) 4.921 15.072 ( 0.153 4.919 0.000) 4.921 15.672 ( -3.223 5.099 0.000) 6.033 15.672 ( 3.223 5.099 0.000) 6.033 16.103 ( -1.839 -1.113 0.000) 2.150 16.103 ( 1.839 -1.113 0.000) 2.150 16.249 ( -3.367 -6.797 0.000) 7.586 16.249 ( 3.367 -6.797 0.000) 7.586 17.986 ( -4.001 2.385 0.000) 4.658 17.986 ( 4.001 2.385 0.000) 4.658 18.380 ( -1.813 1.413 0.000) 2.299 18.380 ( 1.813 1.413 0.000) 2.299 19.131 ( -5.017 1.668 0.000) 5.287 19.131 ( 5.017 1.668 0.000) 5.287 19.263 ( -3.546 -1.841 0.000) 3.996 19.263 ( 3.546 -1.841 0.000) 3.996 20.661 ( -3.974 -0.555 0.000) 4.013 20.661 ( 3.974 -0.555 0.000) 4.013 21.991 ( -3.273 -3.748 0.000) 4.976 21.991 ( 3.273 -3.748 0.000) 4.976 23.282 ( -1.467 -3.675 0.000) 3.956 23.282 ( 1.467 -3.675 0.000) 3.956 24.529 ( -1.609 -0.257 0.000) 1.629 24.529 ( 1.609 -0.257 0.000) 1.629 25.247 ( -0.141 1.555 0.000) 1.562 25.247 ( 0.141 1.555 0.000) 1.562 25.749 ( -0.166 -0.788 0.000) 0.805 25.749 ( 0.166 -0.788 0.000) 0.805 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 0.000 35.546) 35.546 0.727 ( 0.000 0.000 36.748) 36.748 1.162 ( 0.000 0.000 55.449) 55.449 2.195 ( 0.000 0.000 16.221) 16.221 2.296 ( 0.000 0.000 7.504) 7.504 2.518 ( 0.000 0.000 10.486) 10.486 2.674 ( 0.000 0.000 -16.326) 16.326 3.675 ( 0.000 0.000 0.395) 0.395 3.775 ( 0.000 0.000 7.199) 7.199 3.814 ( 0.000 0.000 2.100) 2.100 3.891 ( 0.000 0.000 7.517) 7.517 3.932 ( 0.000 0.000 6.202) 6.202 4.016 ( 0.000 0.000 19.092) 19.092 4.096 ( 0.000 0.000 -4.143) 4.143 4.158 ( 0.000 0.000 -8.943) 8.943 4.573 ( 0.000 0.000 -16.634) 16.634 4.654 ( 0.000 0.000 -16.575) 16.575 4.807 ( 0.000 0.000 8.488) 8.488 4.854 ( 0.000 0.000 0.572) 0.572 4.944 ( 0.000 0.000 -15.790) 15.790 5.156 ( 0.000 0.000 6.537) 6.537 5.197 ( 0.000 0.000 -5.979) 5.979 5.258 ( 0.000 0.000 -9.938) 9.938 5.385 ( 0.000 0.000 18.403) 18.403 5.466 ( 0.000 0.000 -16.304) 16.304 5.519 ( 0.000 0.000 8.567) 8.567 5.700 ( 0.000 0.000 -20.297) 20.297 5.886 ( 0.000 0.000 3.850) 3.850 5.997 ( 0.000 0.000 4.831) 4.831 6.018 ( 0.000 0.000 -3.752) 3.752 6.205 ( 0.000 0.000 5.052) 5.052 6.246 ( 0.000 0.000 8.592) 8.592 6.467 ( 0.000 0.000 -0.956) 0.956 6.574 ( 0.000 0.000 -2.017) 2.017 6.685 ( 0.000 0.000 3.765) 3.765 6.775 ( 0.000 0.000 -2.251) 2.251 6.984 ( 0.000 0.000 12.466) 12.466 7.013 ( 0.000 0.000 0.391) 0.391 7.313 ( 0.000 0.000 -2.586) 2.586 7.482 ( 0.000 0.000 -5.246) 5.246 7.526 ( 0.000 0.000 2.337) 2.337 7.611 ( 0.000 0.000 -2.830) 2.830 7.650 ( 0.000 0.000 -6.227) 6.227 7.692 ( 0.000 0.000 12.919) 12.919 7.752 ( 0.000 0.000 3.519) 3.519 7.872 ( 0.000 0.000 10.710) 10.710 8.114 ( 0.000 0.000 12.863) 12.863 8.259 ( 0.000 0.000 -1.602) 1.602 8.278 ( 0.000 0.000 6.184) 6.184 8.318 ( 0.000 0.000 0.940) 0.940 8.383 ( 0.000 0.000 -3.057) 3.057 8.469 ( 0.000 0.000 2.813) 2.813 8.836 ( 0.000 0.000 2.830) 2.830 8.862 ( 0.000 0.000 2.235) 2.235 9.138 ( 0.000 0.000 21.587) 21.587 9.382 ( 0.000 0.000 -5.877) 5.877 9.412 ( 0.000 0.000 5.062) 5.062 9.445 ( 0.000 0.000 12.419) 12.419 9.580 ( 0.000 0.000 2.338) 2.338 9.944 ( 0.000 0.000 -3.778) 3.778 9.974 ( 0.000 0.000 -3.620) 3.620 10.646 ( 0.000 0.000 -6.749) 6.749 10.809 ( 0.000 0.000 -4.703) 4.703 10.946 ( 0.000 0.000 -21.216) 21.216 11.070 ( 0.000 0.000 -4.223) 4.223 11.357 ( 0.000 0.000 -8.041) 8.041 11.643 ( 0.000 0.000 -4.208) 4.208 11.931 ( 0.000 0.000 10.856) 10.856 11.942 ( 0.000 0.000 0.040) 0.040 12.122 ( 0.000 0.000 3.127) 3.127 12.520 ( 0.000 0.000 -1.092) 1.092 12.772 ( 0.000 0.000 0.515) 0.515 12.904 ( 0.000 0.000 -7.953) 7.953 12.906 ( 0.000 0.000 4.719) 4.719 13.064 ( 0.000 0.000 3.564) 3.564 13.153 ( 0.000 0.000 -21.027) 21.027 13.342 ( 0.000 0.000 -11.206) 11.206 13.369 ( 0.000 0.000 6.807) 6.807 14.247 ( 0.000 0.000 -2.280) 2.280 14.299 ( 0.000 0.000 6.964) 6.964 14.358 ( 0.000 0.000 12.348) 12.348 14.431 ( 0.000 0.000 -8.094) 8.094 14.638 ( 0.000 0.000 -5.942) 5.942 15.859 ( 0.000 0.000 -19.069) 19.069 16.017 ( 0.000 0.000 35.999) 35.999 16.666 ( 0.000 0.000 -15.123) 15.123 16.747 ( 0.000 0.000 -3.193) 3.193 16.813 ( 0.000 0.000 -8.264) 8.264 17.658 ( 0.000 0.000 1.274) 1.274 17.660 ( 0.000 0.000 -0.881) 0.881 18.345 ( 0.000 0.000 -4.609) 4.609 18.414 ( 0.000 0.000 -22.813) 22.813 19.062 ( 0.000 0.000 -2.406) 2.406 19.498 ( 0.000 0.000 4.364) 4.364 20.297 ( 0.000 0.000 7.441) 7.441 20.346 ( 0.000 0.000 22.485) 22.485 20.389 ( 0.000 0.000 -3.538) 3.538 21.087 ( 0.000 0.000 5.447) 5.447 21.950 ( 0.000 0.000 -6.810) 6.810 23.237 ( 0.000 0.000 0.720) 0.720 23.582 ( 0.000 0.000 4.545) 4.545 23.818 ( 0.000 0.000 -15.715) 15.715 24.260 ( 0.000 0.000 6.422) 6.422 24.328 ( 0.000 0.000 5.414) 5.414 24.504 ( 0.000 0.000 7.107) 7.107 25.550 ( 0.000 0.000 -14.105) 14.105 25.871 ( 0.000 0.000 -5.674) 5.674 25.955 ( 0.000 0.000 3.190) 3.190 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 18.070 0.000 23.225) 29.426 0.919 ( 20.604 0.000 28.163) 34.895 1.646 ( 26.255 0.000 27.302) 37.878 1.836 ( -27.235 0.000 16.418) 31.800 1.935 ( -13.914 0.000 14.400) 20.024 2.841 ( 23.249 0.000 10.921) 25.687 2.960 ( 12.657 0.000 -7.367) 14.645 3.518 ( -27.343 0.000 16.512) 31.942 3.561 ( -17.005 0.000 7.670) 18.655 3.661 ( -9.465 0.000 1.410) 9.570 3.832 ( 2.220 0.000 2.278) 3.181 3.890 ( 1.232 0.000 4.587) 4.749 3.995 ( -2.102 0.000 4.291) 4.778 4.100 ( -10.091 0.000 -1.062) 10.146 4.193 ( 12.243 0.000 -1.463) 12.330 4.554 ( -3.239 0.000 -13.167) 13.559 4.676 ( 1.870 0.000 -15.273) 15.387 4.777 ( -6.208 0.000 -0.845) 6.265 4.981 ( 7.709 0.000 -13.602) 15.634 5.086 ( 15.930 0.000 -5.593) 16.883 5.189 ( -3.434 0.000 -9.951) 10.527 5.205 ( 4.269 0.000 5.568) 7.016 5.296 ( 4.428 0.000 -11.807) 12.610 5.343 ( -3.321 0.000 10.822) 11.320 5.516 ( 4.103 0.000 -9.975) 10.786 5.576 ( 6.309 0.000 7.329) 9.671 5.661 ( -3.720 0.000 -16.775) 17.183 5.848 ( -4.858 0.000 5.414) 7.275 6.041 ( 4.304 0.000 2.908) 5.194 6.075 ( 6.931 0.000 -5.475) 8.833 6.185 ( -2.397 0.000 3.773) 4.470 6.304 ( 5.528 0.000 4.351) 7.035 6.434 ( -4.229 0.000 0.492) 4.258 6.598 ( -9.478 0.000 -0.088) 9.479 6.625 ( 5.785 0.000 -1.081) 5.886 6.797 ( 4.892 0.000 -0.038) 4.892 6.920 ( -7.074 0.000 7.225) 10.112 7.017 ( -2.813 0.000 4.479) 5.289 7.279 ( -0.772 0.000 1.509) 1.695 7.455 ( -8.585 0.000 0.947) 8.637 7.509 ( 2.687 0.000 6.230) 6.785 7.625 ( 8.920 0.000 -2.547) 9.277 7.679 ( -2.201 0.000 7.826) 8.129 7.746 ( 8.574 0.000 -7.196) 11.194 7.880 ( -1.685 0.000 3.029) 3.466 7.884 ( 11.330 0.000 4.796) 12.303 8.152 ( 4.850 0.000 15.142) 15.900 8.155 ( -10.336 0.000 -2.860) 10.724 8.236 ( -5.978 0.000 1.335) 6.125 8.305 ( 0.382 0.000 4.228) 4.245 8.367 ( -1.800 0.000 0.685) 1.926 8.549 ( 8.181 0.000 5.927) 10.102 8.672 ( -19.194 0.000 16.544) 25.341 8.818 ( -2.991 0.000 5.919) 6.632 9.171 ( 3.494 0.000 19.279) 19.593 9.337 ( -5.219 0.000 9.664) 10.983 9.384 ( 0.710 0.000 -5.894) 5.937 9.514 ( -5.878 0.000 -0.298) 5.885 9.577 ( 11.698 0.000 10.113) 15.463 9.964 ( 1.990 0.000 -3.577) 4.094 9.998 ( 1.406 0.000 -3.100) 3.404 10.325 ( -35.389 0.000 19.063) 40.197 10.736 ( 9.860 0.000 -7.065) 12.129 10.991 ( 3.098 0.000 -10.339) 10.793 11.096 ( -0.761 0.000 -8.171) 8.206 11.213 ( -13.106 0.000 -7.758) 15.230 11.730 ( 6.911 0.000 -3.849) 7.910 11.914 ( -3.061 0.000 -0.706) 3.141 11.925 ( 0.233 0.000 10.780) 10.783 12.032 ( -5.799 0.000 7.265) 9.296 12.593 ( 7.772 0.000 -2.175) 8.071 12.791 ( 1.917 0.000 0.954) 2.142 12.857 ( -3.225 0.000 -1.734) 3.661 12.929 ( -0.022 0.000 -1.350) 1.350 13.058 ( -0.397 0.000 3.673) 3.694 13.197 ( 4.067 0.000 -20.760) 21.155 13.231 ( -12.106 0.000 7.235) 14.103 13.334 ( -1.780 0.000 -14.567) 14.675 14.239 ( 0.478 0.000 -2.618) 2.662 14.298 ( -1.218 0.000 2.676) 2.940 14.391 ( 2.774 0.000 8.187) 8.644 14.433 ( 0.071 0.000 -4.013) 4.014 14.856 ( 21.706 0.000 -6.567) 22.677 15.693 ( -17.876 0.000 -15.133) 23.422 16.040 ( 3.249 0.000 38.797) 38.933 16.538 ( -26.413 0.000 32.602) 41.959 16.665 ( 0.022 0.000 -14.026) 14.026 16.711 ( -2.765 0.000 -6.572) 7.130 17.635 ( 0.789 0.000 -2.527) 2.647 17.803 ( 13.840 0.000 -2.294) 14.029 18.122 ( -29.287 0.000 -9.529) 30.798 18.268 ( -8.502 0.000 -4.834) 9.781 18.987 ( -6.300 0.000 8.363) 10.471 19.183 ( -23.730 0.000 26.257) 35.391 19.575 ( 8.444 0.000 5.885) 10.293 20.061 ( -17.219 0.000 10.629) 20.235 20.651 ( 14.830 0.000 7.357) 16.554 21.033 ( -6.077 0.000 5.719) 8.345 23.203 ( 52.104 0.000 -50.060) 72.255 23.282 ( 4.899 0.000 1.253) 5.056 23.522 ( -6.185 0.000 3.906) 7.315 23.792 ( -3.249 0.000 -17.869) 18.162 24.307 ( 4.740 0.000 6.629) 8.149 24.474 ( 16.630 0.000 -1.084) 16.665 24.476 ( -3.129 0.000 7.068) 7.730 25.257 ( -23.729 0.000 -6.770) 24.675 25.925 ( 2.403 0.000 -1.230) 2.699 25.958 ( 0.089 0.000 2.028) 2.030 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -32.893 0.000 3.164) 33.045 1.260 ( 32.893 0.000 3.164) 33.045 1.351 ( -27.168 0.000 20.237) 33.877 1.351 ( 27.168 0.000 20.237) 33.877 2.552 ( -45.112 0.000 26.710) 52.427 2.552 ( 45.112 0.000 26.710) 52.427 3.230 ( -20.699 0.000 9.489) 22.770 3.230 ( 20.699 0.000 9.489) 22.770 3.485 ( -12.738 0.000 -1.179) 12.792 3.485 ( 12.738 0.000 -1.179) 12.792 3.921 ( -8.213 0.000 0.753) 8.247 3.921 ( 8.213 0.000 0.753) 8.247 3.933 ( -3.526 0.000 2.417) 4.275 3.933 ( 3.526 0.000 2.417) 4.275 4.418 ( -11.730 0.000 -2.669) 12.030 4.418 ( 11.730 0.000 -2.669) 12.030 4.708 ( -2.012 0.000 -10.614) 10.803 4.708 ( 2.012 0.000 -10.614) 10.803 5.094 ( -6.036 0.000 -12.926) 14.266 5.094 ( 6.036 0.000 -12.926) 14.266 5.280 ( -3.988 0.000 7.004) 8.060 5.280 ( 3.988 0.000 7.004) 8.060 5.298 ( -5.883 0.000 -13.965) 15.153 5.298 ( 5.883 0.000 -13.965) 15.153 5.590 ( -4.194 0.000 -11.584) 12.320 5.590 ( 4.194 0.000 -11.584) 12.320 5.720 ( -8.963 0.000 9.010) 12.709 5.720 ( 8.963 0.000 9.010) 12.709 6.123 ( -4.460 0.000 2.151) 4.952 6.123 ( 4.460 0.000 2.151) 4.952 6.255 ( -11.760 0.000 -7.681) 14.046 6.255 ( 11.760 0.000 -7.681) 14.046 6.446 ( -7.117 0.000 4.022) 8.175 6.446 ( 7.117 0.000 4.022) 8.175 6.765 ( -9.472 0.000 1.481) 9.587 6.765 ( 9.472 0.000 1.481) 9.587 6.913 ( -7.386 0.000 4.080) 8.438 6.913 ( 7.386 0.000 4.080) 8.438 7.321 ( -5.452 0.000 3.908) 6.708 7.321 ( 5.452 0.000 3.908) 6.708 7.608 ( -5.982 0.000 7.146) 9.319 7.608 ( 5.982 0.000 7.146) 9.319 7.786 ( -8.062 0.000 -0.747) 8.097 7.786 ( 8.062 0.000 -0.747) 8.097 7.943 ( -12.701 0.000 -6.651) 14.337 7.943 ( 12.701 0.000 -6.651) 14.337 8.082 ( -10.545 0.000 1.951) 10.724 8.082 ( 10.545 0.000 1.951) 10.724 8.309 ( -6.495 0.000 14.089) 15.514 8.309 ( 6.495 0.000 14.089) 15.514 8.351 ( -7.596 0.000 13.503) 15.493 8.351 ( 7.596 0.000 13.503) 15.493 8.711 ( -8.816 0.000 8.708) 12.392 8.711 ( 8.816 0.000 8.708) 12.392 9.247 ( -4.866 0.000 14.470) 15.266 9.247 ( 4.866 0.000 14.470) 15.266 9.423 ( -3.874 0.000 -4.241) 5.745 9.423 ( 3.874 0.000 -4.241) 5.745 9.847 ( -19.774 0.000 16.503) 25.756 9.847 ( 19.774 0.000 16.503) 25.756 9.998 ( -1.383 0.000 -3.201) 3.487 9.998 ( 1.383 0.000 -3.201) 3.487 10.961 ( -14.649 0.000 -7.505) 16.459 10.961 ( 14.649 0.000 -7.505) 16.459 11.052 ( -3.511 0.000 -8.099) 8.827 11.052 ( 3.511 0.000 -8.099) 8.827 11.840 ( -5.310 0.000 -2.360) 5.811 11.840 ( 5.310 0.000 -2.360) 5.811 11.956 ( -3.142 0.000 8.152) 8.737 11.956 ( 3.142 0.000 8.152) 8.737 12.749 ( -7.856 0.000 -5.104) 9.369 12.749 ( 7.856 0.000 -5.104) 9.369 12.871 ( -5.289 0.000 3.322) 6.246 12.871 ( 5.289 0.000 3.322) 6.246 13.078 ( -3.891 0.000 5.176) 6.475 13.078 ( 3.891 0.000 5.176) 6.475 13.276 ( -4.421 0.000 -17.948) 18.485 13.276 ( 4.421 0.000 -17.948) 18.485 14.265 ( -2.083 0.000 -1.746) 2.718 14.265 ( 2.083 0.000 -1.746) 2.718 14.426 ( -1.084 0.000 2.495) 2.720 14.426 ( 1.084 0.000 2.495) 2.720 15.293 ( -25.854 0.000 -9.499) 27.544 15.293 ( 25.854 0.000 -9.499) 27.544 16.170 ( -13.153 0.000 45.915) 47.762 16.170 ( 13.153 0.000 45.915) 47.762 16.675 ( -1.277 0.000 -11.277) 11.349 16.675 ( 1.277 0.000 -11.277) 11.349 17.755 ( -12.980 0.000 -10.006) 16.389 17.755 ( 12.980 0.000 -10.006) 16.389 18.063 ( -14.269 0.000 -4.301) 14.903 18.063 ( 14.269 0.000 -4.301) 14.903 19.005 ( -5.815 0.000 7.196) 9.252 19.005 ( 5.815 0.000 7.196) 9.252 19.779 ( -14.386 0.000 8.702) 16.813 19.779 ( 14.386 0.000 8.702) 16.813 20.881 ( -11.105 0.000 6.493) 12.864 20.881 ( 11.105 0.000 6.493) 12.864 23.395 ( -7.491 0.000 2.540) 7.910 23.395 ( 7.491 0.000 2.540) 7.910 23.677 ( -11.777 0.000 -27.324) 29.754 23.677 ( 11.777 0.000 -27.324) 29.754 24.400 ( -5.236 0.000 6.919) 8.676 24.400 ( 5.236 0.000 6.919) 8.676 24.843 ( -23.149 0.000 -7.115) 24.218 24.843 ( 23.149 0.000 -7.115) 24.218 25.951 ( -0.925 0.000 1.566) 1.819 25.951 ( 0.925 0.000 1.566) 1.819 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 22.110 24.381) 32.914 0.944 ( 0.000 20.146 29.762) 35.939 1.617 ( 0.000 37.598 37.197) 52.889 2.175 ( 0.000 -0.866 14.152) 14.178 2.364 ( 0.000 -9.310 4.515) 10.347 2.403 ( 0.000 10.342 10.042) 14.415 2.793 ( 0.000 7.125 -6.592) 9.706 3.684 ( 0.000 0.198 -1.344) 1.359 3.716 ( 0.000 -5.075 7.532) 9.082 3.854 ( 0.000 -1.036 3.731) 3.873 3.895 ( 0.000 -4.246 8.016) 9.071 3.920 ( 0.000 6.360 3.525) 7.272 4.009 ( 0.000 -2.388 0.672) 2.481 4.118 ( 0.000 -3.043 -5.848) 6.592 4.128 ( 0.000 4.568 8.929) 10.030 4.492 ( 0.000 -6.476 -16.175) 17.423 4.624 ( 0.000 -8.610 -10.958) 13.936 4.796 ( 0.000 0.450 -9.712) 9.722 4.903 ( 0.000 9.111 5.106) 10.445 4.956 ( 0.000 -0.639 -5.097) 5.136 5.157 ( 0.000 1.737 1.710) 2.438 5.319 ( 0.000 6.093 -9.534) 11.314 5.341 ( 0.000 12.732 6.463) 14.278 5.434 ( 0.000 1.409 -12.213) 12.294 5.492 ( 0.000 10.226 7.726) 12.816 5.657 ( 0.000 7.710 -0.076) 7.711 5.759 ( 0.000 5.479 -20.823) 21.532 5.925 ( 0.000 3.713 4.240) 5.636 6.054 ( 0.000 3.058 -4.641) 5.558 6.056 ( 0.000 -1.648 10.948) 11.072 6.062 ( 0.000 2.166 0.374) 2.198 6.409 ( 0.000 5.708 -0.715) 5.753 6.449 ( 0.000 -8.467 4.864) 9.765 6.505 ( 0.000 6.199 2.311) 6.616 6.718 ( 0.000 1.460 4.705) 4.926 6.762 ( 0.000 -0.313 -1.430) 1.464 6.915 ( 0.000 -4.696 5.315) 7.092 7.060 ( 0.000 1.617 2.115) 2.663 7.239 ( 0.000 -2.058 16.603) 16.730 7.421 ( 0.000 -6.302 -3.883) 7.403 7.477 ( 0.000 -10.419 -0.615) 10.437 7.521 ( 0.000 -5.026 -0.424) 5.044 7.574 ( 0.000 3.704 2.212) 4.315 7.691 ( 0.000 -4.118 10.090) 10.898 7.737 ( 0.000 -8.533 7.782) 11.549 7.902 ( 0.000 7.124 -0.244) 7.128 8.096 ( 0.000 -3.609 10.282) 10.897 8.197 ( 0.000 -6.347 1.671) 6.563 8.202 ( 0.000 -3.193 -0.234) 3.202 8.335 ( 0.000 -0.030 9.817) 9.817 8.494 ( 0.000 6.429 0.576) 6.455 8.544 ( 0.000 6.117 3.831) 7.218 8.825 ( 0.000 2.059 -5.360) 5.742 8.868 ( 0.000 2.124 6.247) 6.598 9.159 ( 0.000 1.813 16.826) 16.924 9.181 ( 0.000 -11.082 2.122) 11.283 9.396 ( 0.000 -3.098 9.161) 9.671 9.538 ( 0.000 8.312 -6.309) 10.435 9.762 ( 0.000 13.057 3.190) 13.442 9.944 ( 0.000 -3.261 5.903) 6.744 10.156 ( 0.000 16.236 -2.712) 16.461 10.534 ( 0.000 -13.371 0.429) 13.378 10.680 ( 0.000 -2.699 -2.246) 3.511 10.786 ( 0.000 -2.412 -4.762) 5.338 11.048 ( 0.000 -2.116 -6.196) 6.547 11.356 ( 0.000 -0.068 -7.370) 7.371 11.569 ( 0.000 -8.042 -0.768) 8.079 11.877 ( 0.000 3.049 0.816) 3.156 11.911 ( 0.000 -3.159 -1.238) 3.393 11.951 ( 0.000 -4.408 1.616) 4.695 12.676 ( 0.000 2.277 7.991) 8.309 12.717 ( 0.000 -6.036 1.342) 6.183 12.835 ( 0.000 -6.680 2.950) 7.302 13.026 ( 0.000 -4.760 0.864) 4.838 13.103 ( 0.000 15.263 -4.246) 15.843 13.154 ( 0.000 -0.680 -16.256) 16.270 13.273 ( 0.000 -6.333 -9.982) 11.822 14.016 ( 0.000 38.998 -45.200) 59.698 14.240 ( 0.000 -8.180 10.026) 12.939 14.299 ( 0.000 4.833 -2.059) 5.253 14.329 ( 0.000 0.409 6.444) 6.457 14.488 ( 0.000 6.289 -9.970) 11.788 14.711 ( 0.000 6.477 -6.257) 9.006 15.797 ( 0.000 -6.314 -20.101) 21.069 16.074 ( 0.000 5.144 33.677) 34.068 16.613 ( 0.000 -7.397 -1.527) 7.553 16.656 ( 0.000 -1.707 -11.729) 11.852 16.982 ( 0.000 11.444 -10.676) 15.650 17.269 ( 0.000 -22.341 8.053) 23.748 17.880 ( 0.000 7.641 3.270) 8.311 18.352 ( 0.000 1.017 1.920) 2.173 18.454 ( 0.000 4.064 -22.314) 22.681 18.970 ( 0.000 -10.613 2.418) 10.885 19.395 ( 0.000 -9.781 4.217) 10.652 19.698 ( 0.000 -34.523 38.358) 51.606 20.212 ( 0.000 -7.887 19.360) 20.905 20.417 ( 0.000 6.192 11.147) 12.751 21.061 ( 0.000 -0.865 3.993) 4.086 21.744 ( 0.000 -6.038 0.374) 6.050 22.988 ( 0.000 -19.640 -1.180) 19.675 23.848 ( 0.000 -10.762 0.068) 10.762 24.061 ( 0.000 14.980 -17.926) 23.361 24.091 ( 0.000 6.397 -5.179) 8.231 24.414 ( 0.000 -2.847 0.749) 2.943 24.646 ( 0.000 17.187 3.690) 17.579 25.349 ( 0.000 -12.301 1.025) 12.344 25.852 ( 0.000 -1.961 -5.336) 5.685 25.908 ( 0.000 -3.573 3.517) 5.014 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 7.123 15.809 26.721) 31.855 1.113 ( 18.752 19.670 18.814) 33.053 1.745 ( -28.247 -1.125 9.874) 29.944 1.919 ( 0.040 17.267 14.853) 22.776 2.167 ( 8.309 23.002 24.594) 34.684 2.730 ( 22.261 -6.580 7.442) 24.377 3.076 ( 18.348 6.595 -2.491) 19.655 3.496 ( -16.578 -5.577 6.460) 18.646 3.612 ( -24.968 8.141 9.195) 27.825 3.681 ( -11.843 1.537 5.783) 13.269 3.858 ( -0.002 -0.489 3.571) 3.605 3.912 ( 0.292 1.424 4.486) 4.715 3.953 ( -0.244 -0.765 1.523) 1.722 4.102 ( -6.375 1.035 0.630) 6.489 4.160 ( 10.622 -3.684 -0.744) 11.267 4.469 ( -3.156 -7.734 -11.214) 13.983 4.685 ( 1.730 -2.599 -13.624) 13.977 4.778 ( -3.956 2.061 -11.430) 12.269 4.939 ( 8.162 -6.000 -6.653) 12.120 5.078 ( 3.800 1.961 -7.248) 8.415 5.217 ( 8.147 4.350 3.204) 9.775 5.295 ( 1.927 7.361 -3.095) 8.214 5.406 ( 1.488 9.037 -6.591) 11.284 5.429 ( -2.270 8.418 -0.633) 8.741 5.527 ( 5.873 3.839 -1.490) 7.173 5.666 ( 0.570 6.768 -3.821) 7.793 5.727 ( -2.149 4.833 -10.913) 12.127 5.884 ( -4.947 3.672 5.843) 8.491 6.061 ( 3.968 1.279 -1.266) 4.357 6.098 ( 3.687 1.246 -0.323) 3.905 6.157 ( 7.019 2.050 1.486) 7.462 6.375 ( -3.556 2.637 -3.783) 5.823 6.452 ( -0.368 -0.624 4.804) 4.859 6.530 ( 2.511 -0.275 4.995) 5.597 6.639 ( -5.093 1.874 2.881) 6.144 6.752 ( -4.532 -3.773 3.277) 6.746 6.900 ( 1.614 0.114 -0.316) 1.649 7.079 ( 0.721 1.692 5.934) 6.213 7.266 ( -2.246 0.739 7.159) 7.539 7.353 ( -5.869 -6.760 2.447) 9.280 7.442 ( -0.144 -8.711 12.714) 15.413 7.531 ( 4.864 -3.325 2.584) 6.434 7.609 ( 5.309 -7.497 0.812) 9.223 7.693 ( -1.309 -6.470 7.228) 9.789 7.776 ( -0.434 0.432 4.424) 4.466 7.907 ( -4.009 -5.552 -2.128) 7.171 8.049 ( 2.357 -0.431 0.712) 2.500 8.169 ( 0.869 -1.192 5.214) 5.419 8.269 ( 1.342 -4.263 3.833) 5.888 8.354 ( -1.421 1.503 7.574) 7.851 8.479 ( 1.502 7.115 1.948) 7.528 8.590 ( 3.576 5.009 5.457) 8.226 8.750 ( -5.652 9.094 3.743) 11.343 8.841 ( -3.068 2.634 6.153) 7.363 9.125 ( -2.596 -2.826 12.510) 13.085 9.179 ( -2.886 -7.049 3.422) 8.350 9.429 ( 5.097 -4.313 9.990) 12.016 9.556 ( 1.290 7.428 -4.247) 8.653 9.734 ( -1.567 11.805 2.776) 12.228 9.906 ( -4.917 -5.491 8.607) 11.331 10.177 ( 1.636 15.860 -2.217) 16.098 10.351 ( -13.340 4.618 3.641) 14.579 10.733 ( 8.605 -0.431 -6.148) 10.585 10.890 ( 5.680 -7.407 -6.637) 11.453 11.041 ( -1.078 -3.160 -6.550) 7.352 11.226 ( -11.442 0.779 -6.067) 12.975 11.650 ( 6.497 -7.740 -1.491) 10.215 11.852 ( -3.811 -4.023 -1.000) 5.631 11.910 ( 1.068 1.894 0.399) 2.210 11.951 ( -0.401 -1.963 1.291) 2.384 12.715 ( 3.142 -1.606 2.027) 4.069 12.758 ( 5.586 -3.483 5.458) 8.551 12.815 ( -2.123 -5.886 2.102) 6.601 12.991 ( -3.842 -5.366 1.409) 6.749 13.134 ( 3.509 15.408 -3.404) 16.165 13.175 ( 2.165 -0.050 -15.127) 15.282 13.279 ( 0.509 -3.725 -11.113) 11.731 13.731 ( -24.628 35.690 -24.850) 49.979 14.273 ( 1.987 1.555 -3.572) 4.373 14.317 ( 0.225 1.969 1.471) 2.468 14.338 ( 2.892 -2.739 7.569) 8.553 14.457 ( -2.349 2.755 -5.953) 6.968 14.914 ( 18.665 5.521 -9.778) 21.782 15.654 ( -15.988 -3.776 -15.608) 22.661 16.097 ( 2.947 4.484 33.516) 33.942 16.442 ( -16.360 -6.344 19.032) 25.887 16.661 ( 1.009 -0.556 -11.567) 11.624 16.824 ( -10.434 7.013 5.658) 13.787 17.442 ( 13.809 -11.132 -7.348) 19.199 17.884 ( -1.230 3.210 -3.668) 5.027 18.183 ( -15.121 4.789 1.744) 15.957 18.352 ( -10.572 8.162 -8.741) 15.962 18.913 ( -1.156 -6.717 8.838) 11.161 19.161 ( -16.053 -2.110 14.316) 21.612 19.529 ( 6.495 -4.758 10.617) 13.325 19.995 ( -16.712 -5.330 13.197) 21.951 20.620 ( 15.019 -2.458 7.987) 17.188 21.020 ( -6.160 -1.209 5.602) 8.414 22.482 ( 43.855 -34.094 -9.396) 56.338 22.992 ( -0.293 -21.824 -1.547) 21.881 23.885 ( 3.857 -7.286 -3.022) 8.780 24.021 ( -3.452 11.856 -13.784) 18.506 24.125 ( 3.807 4.404 -5.911) 8.296 24.355 ( -5.792 -5.002 2.061) 7.926 24.749 ( 10.199 15.059 -0.845) 18.207 25.207 ( -13.156 -3.424 -0.697) 13.612 25.885 ( 2.245 -3.552 -2.587) 4.934 25.910 ( 0.207 -3.692 2.810) 4.644 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -26.325 3.075 14.997) 30.453 1.243 ( 26.325 3.075 14.997) 30.453 1.524 ( -26.348 15.235 10.582) 32.223 1.524 ( 26.348 15.235 10.582) 32.223 2.752 ( -34.038 16.873 19.971) 42.920 2.752 ( 34.038 16.873 19.971) 42.920 3.197 ( -15.174 -2.038 9.276) 17.902 3.197 ( 15.174 -2.038 9.276) 17.902 3.499 ( -12.697 1.259 1.591) 12.858 3.499 ( 12.697 1.259 1.591) 12.858 3.885 ( -2.692 -3.284 1.528) 4.513 3.885 ( 2.692 -3.284 1.528) 4.513 3.987 ( -5.042 5.318 1.479) 7.476 3.987 ( 5.042 5.318 1.479) 7.476 4.355 ( -9.793 -6.820 -2.433) 12.180 4.355 ( 9.793 -6.820 -2.433) 12.180 4.716 ( -2.366 1.437 -14.438) 14.701 4.716 ( 2.366 1.437 -14.438) 14.701 5.058 ( -4.489 -5.319 -8.637) 11.093 5.058 ( 4.489 -5.319 -8.637) 11.093 5.335 ( -5.574 9.400 -5.881) 12.410 5.335 ( 5.574 9.400 -5.881) 12.410 5.394 ( -5.192 5.773 -1.837) 7.979 5.394 ( 5.192 5.773 -1.837) 7.979 5.627 ( -4.278 4.496 -9.995) 11.765 5.627 ( 4.278 4.496 -9.995) 11.765 5.773 ( -6.533 4.235 7.269) 10.651 5.773 ( 6.533 4.235 7.269) 10.651 6.138 ( -1.583 1.462 0.158) 2.160 6.138 ( 1.583 1.462 0.158) 2.160 6.268 ( -7.092 1.426 -6.944) 10.027 6.268 ( 7.092 1.426 -6.944) 10.027 6.499 ( -5.186 4.929 4.504) 8.454 6.499 ( 5.186 4.929 4.504) 8.454 6.648 ( -5.319 -7.161 5.097) 10.275 6.648 ( 5.319 -7.161 5.097) 10.275 6.995 ( -8.134 3.752 1.799) 9.136 6.995 ( 8.134 3.752 1.799) 9.136 7.260 ( -3.827 -2.940 5.872) 7.600 7.260 ( 3.827 -2.940 5.872) 7.600 7.541 ( -6.689 -13.688 14.162) 20.801 7.541 ( 6.689 -13.688 14.162) 20.801 7.673 ( -5.441 3.267 6.393) 9.008 7.673 ( 5.441 3.267 6.393) 9.008 7.792 ( -6.299 -9.432 -5.753) 12.718 7.792 ( 6.299 -9.432 -5.753) 12.718 8.153 ( -5.103 -0.157 -1.234) 5.252 8.153 ( 5.103 -0.157 -1.234) 5.252 8.286 ( -2.957 -1.710 8.607) 9.260 8.286 ( 2.957 -1.710 8.607) 9.260 8.558 ( -5.643 11.240 4.998) 13.533 8.558 ( 5.643 11.240 4.998) 13.533 8.764 ( -5.369 7.133 8.613) 12.405 8.764 ( 5.369 7.133 8.613) 12.405 9.114 ( -2.274 -6.748 8.040) 10.740 9.114 ( 2.274 -6.748 8.040) 10.740 9.532 ( -4.646 1.625 4.239) 6.495 9.532 ( 4.646 1.625 4.239) 6.495 9.780 ( -7.133 1.713 6.157) 9.577 9.780 ( 7.133 1.713 6.157) 9.577 10.212 ( -3.352 15.148 -1.404) 15.578 10.212 ( 3.352 15.148 -1.404) 15.578 10.907 ( -7.197 -5.404 -7.909) 11.981 10.907 ( 7.197 -5.404 -7.909) 11.981 11.047 ( -5.431 0.354 -5.229) 7.547 11.047 ( 5.431 0.354 -5.229) 7.547 11.762 ( -6.016 -6.822 -1.497) 9.218 11.762 ( 6.016 -6.822 -1.497) 9.218 11.935 ( -1.377 1.086 0.844) 1.946 11.935 ( 1.377 1.086 0.844) 1.946 12.768 ( -2.951 -4.805 0.851) 5.703 12.768 ( 2.951 -4.805 0.851) 5.703 12.891 ( -7.607 -4.778 3.213) 9.540 12.891 ( 7.607 -4.778 3.213) 9.540 13.195 ( -1.610 2.740 -8.502) 9.077 13.195 ( 1.610 2.740 -8.502) 9.077 13.366 ( -13.491 21.857 -11.949) 28.329 13.366 ( 13.491 21.857 -11.949) 28.329 14.302 ( -1.379 3.653 -2.428) 4.598 14.302 ( 1.379 3.653 -2.428) 4.598 14.406 ( -3.604 -1.711 0.994) 4.112 14.406 ( 3.604 -1.711 0.994) 4.112 15.291 ( -22.986 0.217 -10.453) 25.252 15.291 ( 22.986 0.217 -10.453) 25.252 16.199 ( -9.543 1.791 34.775) 36.105 16.199 ( 9.543 1.791 34.775) 36.105 16.701 ( -4.047 2.408 -4.708) 6.659 16.701 ( 4.047 2.408 -4.708) 6.659 17.697 ( -15.343 -3.884 -12.275) 20.030 17.697 ( 15.343 -3.884 -12.275) 20.030 18.168 ( -9.253 9.004 -0.032) 12.911 18.168 ( 9.253 9.004 -0.032) 12.911 18.986 ( -7.263 -1.961 4.913) 8.986 18.986 ( 7.263 -1.961 4.913) 8.986 19.719 ( -13.992 -5.332 10.689) 18.397 19.719 ( 13.992 -5.332 10.689) 18.397 20.859 ( -11.791 -2.102 6.647) 13.698 20.859 ( 11.791 -2.102 6.647) 13.698 22.923 ( -10.378 -29.114 -4.335) 31.211 22.923 ( 10.378 -29.114 -4.335) 31.211 23.957 ( -3.831 3.978 -9.564) 11.044 23.957 ( 3.831 3.978 -9.564) 11.044 24.231 ( -7.661 -4.065 -0.790) 8.709 24.231 ( 7.661 -4.065 -0.790) 8.709 24.964 ( -13.650 7.699 -2.987) 15.954 24.964 ( 13.650 7.699 -2.987) 15.954 25.909 ( -0.564 -3.770 0.809) 3.897 25.909 ( 0.564 -3.770 0.809) 3.897 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.000 27.169 21.958) 34.932 1.447 ( 0.000 28.793 11.381) 30.961 2.202 ( 0.000 4.808 12.840) 13.711 2.254 ( 0.000 -1.023 6.645) 6.723 2.360 ( 0.000 33.070 11.019) 34.858 2.715 ( 0.000 24.414 17.875) 30.258 2.930 ( 0.000 7.565 -3.645) 8.397 3.579 ( 0.000 -8.796 7.540) 11.585 3.653 ( 0.000 -6.561 0.575) 6.586 3.768 ( 0.000 -3.770 3.463) 5.119 3.774 ( 0.000 -6.166 7.258) 9.523 3.926 ( 0.000 -7.473 -2.816) 7.986 4.031 ( 0.000 -0.772 -3.948) 4.023 4.163 ( 0.000 12.498 -1.436) 12.581 4.173 ( 0.000 -4.055 -0.736) 4.121 4.411 ( 0.000 -11.447 -8.098) 14.022 4.430 ( 0.000 2.648 -9.440) 9.804 4.776 ( 0.000 -2.844 -12.381) 12.703 4.932 ( 0.000 -0.521 11.508) 11.520 5.134 ( 0.000 12.121 1.812) 12.256 5.219 ( 0.000 2.337 -9.004) 9.302 5.446 ( 0.000 5.049 -4.571) 6.810 5.505 ( 0.000 6.285 -15.486) 16.713 5.605 ( 0.000 12.520 9.502) 15.717 5.742 ( 0.000 14.256 -0.545) 14.267 5.744 ( 0.000 1.207 -0.638) 1.365 5.901 ( 0.000 8.588 -20.799) 22.502 5.982 ( 0.000 -0.848 4.459) 4.539 6.022 ( 0.000 4.235 9.736) 10.618 6.098 ( 0.000 1.538 -7.368) 7.527 6.201 ( 0.000 7.383 -5.367) 9.128 6.361 ( 0.000 0.057 9.834) 9.834 6.484 ( 0.000 3.830 -4.432) 5.858 6.663 ( 0.000 6.214 0.163) 6.216 6.706 ( 0.000 -5.808 14.834) 15.930 6.810 ( 0.000 6.816 5.660) 8.860 6.833 ( 0.000 -0.119 -5.468) 5.469 7.076 ( 0.000 0.536 4.046) 4.082 7.260 ( 0.000 -0.178 9.464) 9.466 7.286 ( 0.000 -6.567 1.268) 6.688 7.292 ( 0.000 -5.003 4.983) 7.061 7.457 ( 0.000 -2.700 -1.661) 3.170 7.559 ( 0.000 -8.226 6.248) 10.329 7.606 ( 0.000 -3.526 15.965) 16.350 7.623 ( 0.000 -0.715 1.550) 1.707 7.893 ( 0.000 -7.116 3.542) 7.949 7.988 ( 0.000 -1.951 5.086) 5.447 8.089 ( 0.000 -9.806 14.182) 17.242 8.242 ( 0.000 6.865 3.953) 7.922 8.310 ( 0.000 1.400 -3.995) 4.233 8.612 ( 0.000 6.386 4.307) 7.703 8.668 ( 0.000 5.579 4.633) 7.252 8.910 ( 0.000 3.026 9.664) 10.127 8.955 ( 0.000 7.494 -10.776) 13.125 9.006 ( 0.000 -6.551 2.380) 6.970 9.212 ( 0.000 3.419 12.774) 13.223 9.355 ( 0.000 -0.602 6.397) 6.425 9.709 ( 0.000 8.020 -6.880) 10.567 9.805 ( 0.000 -7.617 15.795) 17.536 9.999 ( 0.000 10.698 1.700) 10.833 10.449 ( 0.000 6.856 -9.401) 11.635 10.531 ( 0.000 13.327 -3.560) 13.795 10.685 ( 0.000 3.314 -1.304) 3.561 10.709 ( 0.000 -5.841 -5.428) 7.974 11.004 ( 0.000 -1.888 -10.105) 10.280 11.356 ( 0.000 0.123 -6.490) 6.491 11.435 ( 0.000 -4.746 -3.281) 5.770 11.824 ( 0.000 -5.632 -4.087) 6.958 11.902 ( 0.000 0.847 -2.341) 2.490 12.005 ( 0.000 5.807 -3.657) 6.862 12.528 ( 0.000 -13.216 3.455) 13.660 12.585 ( 0.000 -7.697 9.490) 12.219 12.672 ( 0.000 -9.857 1.510) 9.972 12.869 ( 0.000 -8.780 1.907) 8.985 13.102 ( 0.000 -4.855 -8.766) 10.021 13.136 ( 0.000 -7.226 -6.059) 9.430 13.499 ( 0.000 18.486 -1.835) 18.577 14.032 ( 0.000 -12.267 9.168) 15.314 14.368 ( 0.000 3.389 1.298) 3.629 14.402 ( 0.000 5.780 -3.747) 6.888 14.508 ( 0.000 15.654 -28.086) 32.154 14.697 ( 0.000 13.780 -30.941) 33.871 14.858 ( 0.000 8.167 -8.125) 11.521 15.627 ( 0.000 -10.666 -22.766) 25.141 16.176 ( 0.000 4.489 28.803) 29.150 16.470 ( 0.000 -7.098 4.324) 8.311 16.610 ( 0.000 -3.441 -8.059) 8.763 16.880 ( 0.000 -16.981 14.496) 22.327 17.227 ( 0.000 13.639 -12.460) 18.474 17.991 ( 0.000 4.350 3.210) 5.406 18.384 ( 0.000 1.820 11.067) 11.216 18.561 ( 0.000 6.587 -20.955) 21.966 18.759 ( 0.000 -6.473 9.272) 11.308 19.171 ( 0.000 -12.027 4.093) 12.704 19.389 ( 0.000 -5.679 13.593) 14.732 20.004 ( 0.000 -13.282 22.592) 26.207 20.562 ( 0.000 8.256 8.489) 11.842 21.047 ( 0.000 -0.927 4.080) 4.184 21.694 ( 0.000 -0.508 -1.632) 1.709 22.600 ( 0.000 -19.466 -0.664) 19.477 23.583 ( 0.000 -12.805 5.297) 13.857 23.906 ( 0.000 -17.578 2.265) 17.723 24.272 ( 0.000 8.251 -7.220) 10.964 24.538 ( 0.000 6.307 -14.950) 16.226 24.946 ( 0.000 13.454 1.378) 13.524 25.201 ( 0.000 -3.288 3.883) 5.088 25.800 ( 0.000 -3.283 -4.724) 5.753 25.831 ( 0.000 -4.174 1.556) 4.454 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -1.529 27.705 20.911) 34.744 1.574 ( 12.791 25.732 10.125) 30.467 1.811 ( -22.316 9.877 11.905) 27.153 2.256 ( -18.146 17.811 2.983) 25.601 2.630 ( 20.906 -2.669 8.898) 22.877 2.758 ( 18.706 32.569 18.378) 41.814 3.182 ( 15.619 4.214 2.859) 16.428 3.381 ( -12.368 -4.456 4.791) 13.992 3.690 ( -5.201 1.478 0.268) 5.414 3.734 ( -8.398 -1.834 5.419) 10.161 3.758 ( 0.596 -9.423 3.198) 9.969 3.858 ( -12.504 1.392 4.009) 13.205 4.026 ( 7.277 -9.327 -2.224) 12.037 4.105 ( 1.318 1.911 0.039) 2.322 4.162 ( -1.363 8.436 -2.394) 8.875 4.394 ( -6.387 5.225 -0.881) 8.299 4.555 ( 9.070 -10.255 -11.103) 17.627 4.726 ( -2.145 -5.708 -12.865) 14.237 4.874 ( 0.103 -2.134 0.633) 2.228 5.137 ( -8.447 -0.234 -7.701) 11.432 5.302 ( 10.932 6.688 -1.688) 12.926 5.471 ( 3.376 9.243 -1.803) 10.004 5.510 ( 0.309 4.791 -14.608) 15.377 5.645 ( -0.124 6.251 2.582) 6.765 5.717 ( 0.719 15.887 -0.497) 15.911 5.769 ( 2.992 2.829 1.307) 4.320 5.831 ( -4.602 7.488 -12.518) 15.295 5.974 ( -4.682 4.901 8.441) 10.826 6.080 ( 6.844 2.642 -4.766) 8.749 6.165 ( 5.955 1.823 -3.815) 7.303 6.209 ( 1.351 3.734 -4.857) 6.274 6.377 ( 0.202 -1.697 4.801) 5.096 6.439 ( -2.842 3.636 -0.732) 4.673 6.633 ( -0.923 6.446 1.910) 6.787 6.647 ( -5.922 -4.662 12.302) 14.427 6.771 ( -5.540 7.382 2.105) 9.467 6.896 ( 5.461 1.173 -2.391) 6.076 7.084 ( 0.381 -0.724 7.365) 7.410 7.223 ( -0.658 -3.845 3.447) 5.206 7.309 ( 0.866 -1.720 13.768) 13.902 7.324 ( -0.538 -3.385 5.244) 6.265 7.408 ( -2.492 -3.398 -1.536) 4.485 7.548 ( -0.768 -7.282 2.602) 7.771 7.576 ( 5.654 -0.401 10.244) 11.708 7.729 ( 1.206 -3.544 10.445) 11.096 7.785 ( -8.475 -6.948 -1.543) 11.067 8.043 ( 4.868 -1.919 4.690) 7.027 8.112 ( 2.507 -8.445 13.331) 15.979 8.203 ( -2.541 4.059 2.806) 5.550 8.352 ( 0.190 0.633 -2.431) 2.520 8.603 ( 0.721 5.552 2.802) 6.261 8.701 ( 2.047 4.104 3.397) 5.707 8.904 ( -0.542 5.129 2.926) 5.929 8.926 ( 2.415 6.130 6.415) 9.196 9.054 ( -0.712 -1.636 -0.877) 1.988 9.185 ( -3.278 5.189 6.074) 8.635 9.346 ( 1.922 -3.083 10.999) 11.584 9.632 ( -8.533 -2.062 7.959) 11.850 9.829 ( 3.450 3.402 1.609) 5.105 9.974 ( -2.905 9.231 -0.074) 9.678 10.473 ( 1.740 8.359 -7.794) 11.561 10.522 ( -0.924 15.472 -4.403) 16.113 10.722 ( 4.207 -0.221 -3.251) 5.321 10.752 ( 3.704 -6.535 -4.871) 8.953 11.006 ( 0.847 -0.224 -8.842) 8.885 11.241 ( -9.277 1.112 -5.322) 10.753 11.521 ( 6.363 -5.045 -3.872) 8.996 11.755 ( -5.989 -5.336 -3.432) 8.724 11.942 ( 2.706 0.918 -3.032) 4.166 11.997 ( -0.752 4.478 -3.544) 5.760 12.555 ( 2.762 -12.228 2.904) 12.868 12.632 ( 4.894 -8.207 7.661) 12.247 12.656 ( -1.772 -9.829 1.561) 10.108 12.833 ( -3.964 -8.744 2.324) 9.878 13.113 ( 0.925 -5.008 -7.643) 9.184 13.136 ( -0.102 -6.963 -6.007) 9.197 13.569 ( 8.555 17.701 -3.933) 20.049 14.050 ( -3.433 -6.054 2.590) 7.426 14.335 ( -4.181 8.487 -12.325) 15.538 14.389 ( -0.830 5.333 -2.627) 6.002 14.426 ( -3.588 11.776 -13.660) 18.389 14.556 ( -7.858 7.832 -12.392) 16.633 15.048 ( 14.124 7.755 -15.217) 22.163 15.564 ( -8.998 -4.947 -20.209) 22.668 16.147 ( -1.084 -0.386 24.173) 24.200 16.339 ( -10.084 -4.134 10.792) 15.338 16.641 ( 3.621 -1.654 -3.165) 5.086 16.843 ( -5.210 -6.385 14.630) 16.791 17.374 ( 14.653 5.418 -15.017) 21.669 17.930 ( -9.638 1.989 -6.986) 12.069 18.290 ( -3.012 6.303 10.846) 12.901 18.524 ( -8.132 8.590 -4.196) 12.551 18.791 ( 6.209 -4.452 1.729) 7.833 19.086 ( -8.309 -5.894 1.497) 10.296 19.428 ( 6.818 -4.345 13.046) 15.348 19.882 ( -14.101 -6.935 18.282) 24.107 20.596 ( 8.849 0.831 7.197) 11.436 20.989 ( -7.285 -2.092 5.651) 9.454 22.049 ( 28.546 -13.131 -2.294) 31.505 22.577 ( -3.307 -19.937 -0.855) 20.227 23.621 ( 4.470 -13.605 4.963) 15.156 23.855 ( -5.520 -17.091 2.853) 18.185 24.296 ( 2.691 8.055 -8.028) 11.687 24.473 ( -6.063 7.196 -12.360) 15.534 24.997 ( 4.890 10.792 -0.296) 11.852 25.169 ( -3.463 -0.164 2.076) 4.041 25.811 ( 1.090 -3.838 -3.299) 5.177 25.832 ( 0.043 -4.193 0.861) 4.281 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -13.730 19.544 16.783) 29.192 1.465 ( 13.730 19.544 16.783) 29.192 1.891 ( -20.581 21.587 5.799) 30.384 1.891 ( 20.581 21.587 5.799) 30.384 2.947 ( -11.500 -0.951 8.526) 14.347 2.947 ( 11.500 -0.951 8.526) 14.347 3.301 ( -16.168 14.350 8.699) 23.302 3.301 ( 16.168 14.350 8.699) 23.302 3.551 ( -8.059 5.400 5.217) 11.015 3.551 ( 8.059 5.400 5.217) 11.015 3.778 ( -1.845 -7.694 1.604) 8.074 3.778 ( 1.845 -7.694 1.604) 8.074 4.115 ( -2.559 -1.145 -4.411) 5.226 4.115 ( 2.559 -1.145 -4.411) 5.226 4.230 ( -9.980 4.015 5.012) 11.868 4.230 ( 9.980 4.015 5.012) 11.868 4.677 ( -4.928 -7.271 -15.156) 17.517 4.677 ( 4.928 -7.271 -15.156) 17.517 4.971 ( -9.229 -3.547 -4.392) 10.819 4.971 ( 9.229 -3.547 -4.392) 10.819 5.448 ( -5.733 3.939 -7.631) 10.326 5.448 ( 5.733 3.939 -7.631) 10.326 5.574 ( -5.493 9.518 -3.985) 11.689 5.574 ( 5.493 9.518 -3.985) 11.689 5.763 ( -2.948 7.993 -8.086) 11.746 5.763 ( 2.948 7.993 -8.086) 11.746 5.869 ( -6.929 6.814 8.539) 12.937 5.869 ( 6.929 6.814 8.539) 12.937 6.178 ( -3.494 2.569 -4.313) 6.117 6.178 ( 3.494 2.569 -4.313) 6.117 6.298 ( -6.091 0.244 -7.152) 9.398 6.298 ( 6.091 0.244 -7.152) 9.398 6.509 ( -8.307 -1.609 9.827) 12.968 6.509 ( 8.307 -1.609 9.827) 12.968 6.668 ( -4.544 6.926 3.117) 8.851 6.668 ( 4.544 6.926 3.117) 8.851 7.008 ( -7.008 -0.280 4.541) 8.356 7.008 ( 7.008 -0.280 4.541) 8.356 7.270 ( -3.597 1.273 5.039) 6.321 7.270 ( 3.597 1.273 5.039) 6.321 7.361 ( -4.610 -4.711 9.592) 11.638 7.361 ( 4.610 -4.711 9.592) 11.638 7.604 ( -7.641 -7.781 -1.153) 10.966 7.604 ( 7.641 -7.781 -1.153) 10.966 7.704 ( -6.206 -1.735 9.021) 11.086 7.704 ( 6.206 -1.735 9.021) 11.086 8.108 ( -2.779 -3.200 9.577) 10.473 8.108 ( 2.779 -3.200 9.577) 10.473 8.263 ( -7.833 -0.177 -2.046) 8.097 8.263 ( 7.833 -0.177 -2.046) 8.097 8.671 ( -4.939 3.042 3.737) 6.901 8.671 ( 4.939 3.042 3.737) 6.901 8.945 ( -3.223 7.225 3.617) 8.699 8.945 ( 3.223 7.225 3.617) 8.699 9.073 ( -7.061 3.878 4.571) 9.262 9.073 ( 7.061 3.878 4.571) 9.262 9.463 ( -9.492 -5.059 11.983) 16.102 9.463 ( 9.492 -5.059 11.983) 16.102 9.905 ( -4.589 7.437 -1.941) 8.952 9.905 ( 4.589 7.437 -1.941) 8.952 10.500 ( -1.492 13.318 -5.876) 14.633 10.500 ( 1.492 13.318 -5.876) 14.633 10.785 ( -1.276 -5.930 -5.415) 8.131 10.785 ( 1.276 -5.930 -5.415) 8.131 11.078 ( -7.934 2.730 -5.651) 10.116 11.078 ( 7.934 2.730 -5.651) 10.116 11.639 ( -6.944 -5.645 -3.437) 9.587 11.639 ( 6.944 -5.645 -3.437) 9.587 11.979 ( -1.477 2.422 -3.348) 4.388 11.979 ( 1.477 2.422 -3.348) 4.388 12.610 ( -3.116 -10.802 2.009) 11.420 12.610 ( 3.116 -10.802 2.009) 11.420 12.739 ( -6.372 -8.534 4.239) 11.463 12.739 ( 6.372 -8.534 4.239) 11.463 13.128 ( -0.760 -5.890 -6.262) 8.630 13.128 ( 0.760 -5.890 -6.262) 8.630 13.805 ( -17.532 13.948 -8.653) 24.016 13.805 ( 17.532 13.948 -8.653) 24.016 14.378 ( -2.646 2.271 0.992) 3.626 14.378 ( 2.646 2.271 0.992) 3.626 14.424 ( -5.257 7.296 -11.578) 14.660 14.424 ( 5.257 7.296 -11.578) 14.660 15.319 ( -16.458 2.964 -14.364) 22.045 15.319 ( 16.458 2.964 -14.364) 22.045 16.194 ( -6.121 -2.652 16.037) 17.369 16.194 ( 6.121 -2.652 16.037) 17.369 16.731 ( -6.381 -0.626 7.219) 9.656 16.731 ( 6.381 -0.626 7.219) 9.656 17.667 ( -17.466 1.474 -14.393) 22.680 17.667 ( 17.466 1.474 -14.393) 22.680 18.358 ( -8.594 9.745 6.622) 14.583 18.358 ( 8.594 9.745 6.622) 14.583 18.932 ( -8.832 -3.285 -0.968) 9.473 18.932 ( 8.832 -3.285 -0.968) 9.473 19.617 ( -13.975 -4.369 13.956) 20.228 19.617 ( 13.975 -4.369 13.956) 20.228 20.807 ( -12.591 -3.046 6.696) 14.583 20.807 ( 12.591 -3.046 6.696) 14.583 22.438 ( -14.243 -20.211 -1.736) 24.786 22.438 ( 14.243 -20.211 -1.736) 24.786 23.732 ( -7.556 -15.647 3.998) 17.830 23.732 ( 7.556 -15.647 3.998) 17.830 24.367 ( -5.354 7.848 -9.744) 13.609 24.367 ( 5.354 7.848 -9.744) 13.609 25.090 ( -5.255 5.653 -0.346) 7.726 25.090 ( 5.255 5.653 -0.346) 7.726 25.828 ( -0.619 -4.232 -0.910) 4.372 25.828 ( 0.619 -4.232 -0.910) 4.372 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 0.000 26.340 16.892) 31.291 1.983 ( 0.000 25.609 6.103) 26.326 2.334 ( 0.000 8.829 8.214) 12.059 2.377 ( 0.000 13.179 9.936) 16.505 2.776 ( 0.000 12.051 2.522) 12.312 3.076 ( 0.000 5.397 -1.589) 5.626 3.286 ( 0.000 20.761 8.261) 22.344 3.418 ( 0.000 -5.476 3.819) 6.676 3.434 ( 0.000 -11.516 -0.216) 11.518 3.694 ( 0.000 6.178 16.731) 17.835 3.716 ( 0.000 -11.470 -1.290) 11.542 3.823 ( 0.000 4.335 -3.148) 5.357 3.984 ( 0.000 -4.872 -7.734) 9.141 4.019 ( 0.000 -8.577 -3.893) 9.420 4.230 ( 0.000 -5.354 -4.551) 7.027 4.408 ( 0.000 7.010 -4.858) 8.529 4.473 ( 0.000 -1.565 -5.507) 5.725 4.736 ( 0.000 3.044 -5.804) 6.554 4.919 ( 0.000 -3.721 4.658) 5.962 5.210 ( 0.000 -1.005 4.610) 4.718 5.329 ( 0.000 7.927 -1.713) 8.110 5.546 ( 0.000 0.738 -3.335) 3.416 5.576 ( 0.000 4.062 -11.935) 12.607 5.754 ( 0.000 1.831 0.626) 1.935 5.794 ( 0.000 5.710 -7.591) 9.499 5.948 ( 0.000 5.985 7.380) 9.502 6.023 ( 0.000 5.209 3.227) 6.128 6.051 ( 0.000 6.263 -9.081) 11.031 6.125 ( 0.000 5.965 2.210) 6.361 6.138 ( 0.000 1.713 -15.338) 15.433 6.314 ( 0.000 4.079 -7.405) 8.454 6.385 ( 0.000 0.806 5.426) 5.485 6.508 ( 0.000 -3.191 -5.441) 6.308 6.530 ( 0.000 -9.016 11.308) 14.462 6.755 ( 0.000 5.986 0.853) 6.046 6.908 ( 0.000 5.396 -1.024) 5.492 6.981 ( 0.000 6.624 4.753) 8.152 7.074 ( 0.000 -2.017 10.425) 10.618 7.191 ( 0.000 0.973 -0.369) 1.040 7.197 ( 0.000 -1.207 2.831) 3.078 7.305 ( 0.000 -0.105 7.854) 7.855 7.398 ( 0.000 -3.809 -1.158) 3.981 7.445 ( 0.000 -2.666 9.705) 10.065 7.531 ( 0.000 -5.653 0.833) 5.714 7.597 ( 0.000 0.784 14.902) 14.923 7.796 ( 0.000 -4.680 12.466) 13.316 7.904 ( 0.000 -6.658 19.685) 20.780 7.970 ( 0.000 -0.144 1.967) 1.973 8.374 ( 0.000 6.068 2.398) 6.525 8.389 ( 0.000 5.425 -9.909) 11.297 8.722 ( 0.000 4.583 4.552) 6.459 8.740 ( 0.000 2.822 2.235) 3.600 8.899 ( 0.000 -3.421 2.676) 4.343 9.032 ( 0.000 -0.485 -5.788) 5.809 9.034 ( 0.000 7.591 12.534) 14.654 9.243 ( 0.000 -0.480 15.534) 15.541 9.417 ( 0.000 7.660 1.163) 7.748 9.751 ( 0.000 2.878 12.128) 12.465 9.799 ( 0.000 0.438 -2.751) 2.786 10.162 ( 0.000 5.938 -0.744) 5.984 10.506 ( 0.000 -0.367 -10.352) 10.359 10.554 ( 0.000 -9.846 -7.574) 12.422 10.705 ( 0.000 7.019 -1.665) 7.214 10.908 ( 0.000 15.263 -6.681) 16.661 10.985 ( 0.000 -0.337 -11.690) 11.695 11.355 ( 0.000 -0.579 -7.291) 7.314 11.406 ( 0.000 1.909 -5.784) 6.091 11.706 ( 0.000 -6.258 -6.276) 8.863 11.912 ( 0.000 -0.984 -2.269) 2.473 12.094 ( 0.000 3.172 -2.994) 4.362 12.242 ( 0.000 -15.237 4.788) 15.971 12.461 ( 0.000 -11.603 1.741) 11.732 12.482 ( 0.000 -1.019 8.041) 8.106 12.745 ( 0.000 -2.958 1.821) 3.474 12.969 ( 0.000 -8.892 -2.306) 9.186 13.002 ( 0.000 -6.484 -2.168) 6.837 13.707 ( 0.000 3.457 1.080) 3.622 13.806 ( 0.000 -9.970 6.624) 11.970 14.446 ( 0.000 4.177 -1.892) 4.585 14.494 ( 0.000 3.514 -2.600) 4.371 14.798 ( 0.000 14.513 -20.948) 25.484 14.928 ( 0.000 9.896 -36.886) 38.190 15.008 ( 0.000 6.762 -11.412) 13.265 15.414 ( 0.000 -10.648 -26.618) 28.669 16.233 ( 0.000 1.538 22.851) 22.902 16.350 ( 0.000 -5.045 8.062) 9.511 16.524 ( 0.000 -4.996 0.500) 5.021 16.614 ( 0.000 -10.755 16.065) 19.333 17.496 ( 0.000 13.853 -12.413) 18.600 18.032 ( 0.000 -1.093 -4.010) 4.156 18.418 ( 0.000 2.507 8.456) 8.820 18.672 ( 0.000 2.907 -16.329) 16.585 18.780 ( 0.000 7.775 13.584) 15.651 18.985 ( 0.000 -5.212 0.912) 5.292 19.311 ( 0.000 -3.647 2.763) 4.576 19.718 ( 0.000 -15.864 24.005) 28.773 20.719 ( 0.000 7.736 7.343) 10.666 21.016 ( 0.000 -2.367 5.206) 5.719 21.713 ( 0.000 2.628 -1.134) 2.862 22.254 ( 0.000 -16.134 0.232) 16.135 23.389 ( 0.000 -7.058 5.371) 8.869 23.583 ( 0.000 -14.354 4.259) 14.972 24.391 ( 0.000 4.385 -5.623) 7.131 24.576 ( 0.000 -1.353 -9.317) 9.414 25.155 ( 0.000 8.022 0.500) 8.037 25.197 ( 0.000 2.012 1.164) 2.325 25.735 ( 0.000 -3.050 -4.473) 5.414 25.755 ( 0.000 -3.486 -0.513) 3.523 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.940 28.162 15.912) 32.404 2.041 ( 0.702 22.247 7.929) 23.628 2.136 ( -3.475 21.786 7.806) 23.402 2.593 ( -11.112 14.308 2.111) 18.239 2.628 ( 10.181 4.266 7.716) 13.469 3.054 ( -6.568 -5.645 6.266) 10.689 3.367 ( 7.299 10.756 4.396) 13.722 3.425 ( 5.379 4.659 -3.463) 7.914 3.512 ( 4.653 -10.977 1.555) 12.023 3.655 ( -0.398 -1.028 9.053) 9.120 3.771 ( -4.346 3.202 -2.575) 5.981 3.843 ( 7.035 -1.729 2.134) 7.552 3.889 ( -8.219 -5.061 1.230) 9.730 4.004 ( 0.642 0.193 -5.894) 5.932 4.340 ( 8.366 -10.215 -7.360) 15.117 4.411 ( 0.754 6.582 -3.047) 7.293 4.510 ( 2.766 -1.071 -6.096) 6.779 4.674 ( -7.372 6.014 -0.977) 9.564 4.844 ( -4.402 -0.843 5.977) 7.471 5.067 ( -10.650 -2.939 2.529) 11.334 5.425 ( 6.050 3.406 -6.889) 9.781 5.566 ( -1.059 1.961 -12.957) 13.147 5.627 ( 6.129 4.439 -2.641) 8.015 5.718 ( -2.038 2.226 0.166) 3.022 5.836 ( 3.100 5.077 -6.211) 8.600 5.917 ( -1.605 5.852 -2.873) 6.714 6.027 ( 0.246 6.601 4.321) 7.893 6.070 ( -3.307 7.307 -0.205) 8.023 6.137 ( 6.734 2.055 -3.129) 7.705 6.179 ( 2.568 0.750 -9.688) 10.051 6.283 ( -2.873 2.869 -6.749) 7.876 6.366 ( -3.167 0.221 1.896) 3.698 6.466 ( -1.213 -3.337 2.594) 4.397 6.546 ( -0.256 -3.860 8.469) 9.311 6.760 ( 0.912 6.973 0.450) 7.046 6.874 ( -4.473 4.454 -2.241) 6.699 7.005 ( 1.678 6.165 4.859) 8.027 7.051 ( -1.872 -2.347 8.585) 9.095 7.182 ( 1.777 0.004 1.318) 2.213 7.253 ( 5.466 -2.831 3.521) 7.092 7.280 ( -1.407 -1.100 7.127) 7.348 7.391 ( -3.149 0.341 5.081) 5.988 7.426 ( -0.409 -5.177 1.605) 5.436 7.598 ( 5.449 0.889 8.204) 9.889 7.636 ( 4.183 -2.545 11.069) 12.104 7.694 ( -10.145 -3.517 10.944) 15.332 7.953 ( 5.089 -5.228 13.857) 15.660 8.010 ( 3.534 -2.939 6.898) 8.289 8.299 ( -4.792 4.648 3.334) 7.462 8.398 ( -3.634 3.408 -5.514) 7.431 8.691 ( -0.094 3.563 2.093) 4.134 8.750 ( 0.375 2.415 1.514) 2.875 8.946 ( 3.817 0.590 1.447) 4.125 9.055 ( 0.806 0.006 -2.735) 2.851 9.076 ( 4.774 7.027 8.586) 12.079 9.262 ( 2.533 1.247 12.150) 12.474 9.359 ( -4.967 5.777 5.783) 9.565 9.607 ( -10.675 1.636 10.097) 14.785 9.907 ( 6.668 2.974 -0.259) 7.306 10.115 ( -4.730 5.197 -1.409) 7.167 10.531 ( 2.272 -2.331 -10.499) 10.992 10.564 ( 0.881 -9.051 -8.661) 12.558 10.759 ( 4.774 8.022 -2.167) 9.584 10.887 ( -2.072 13.843 -5.749) 15.132 11.024 ( 4.518 1.599 -10.159) 11.233 11.274 ( -6.793 2.015 -7.163) 10.075 11.459 ( 4.061 -1.269 -5.323) 6.815 11.652 ( -5.375 -5.061 -4.510) 8.651 11.941 ( 2.589 -1.941 -3.461) 4.739 12.041 ( -3.889 -1.127 -2.328) 4.671 12.304 ( 4.957 -11.965 3.379) 13.385 12.436 ( -2.262 -11.546 2.623) 12.054 12.532 ( 4.762 -1.118 5.902) 7.665 12.712 ( -3.546 -2.529 2.145) 4.855 12.982 ( 1.069 -8.364 -1.789) 8.620 13.003 ( -0.026 -6.766 -1.840) 7.012 13.738 ( 4.928 0.448 -0.847) 5.020 13.881 ( 4.994 -7.853 4.639) 10.398 14.434 ( -1.319 3.891 -2.664) 4.896 14.481 ( -1.483 3.604 -2.054) 4.406 14.700 ( -9.338 12.840 -23.447) 28.317 14.733 ( -9.749 9.047 -19.880) 23.919 15.196 ( 12.230 7.239 -19.116) 23.821 15.482 ( 3.027 -3.304 -27.953) 28.310 16.106 ( -7.510 -2.441 19.879) 21.390 16.262 ( -8.582 -4.434 4.745) 10.763 16.594 ( 5.228 -3.013 7.483) 9.613 16.665 ( 2.882 -9.739 17.214) 19.987 17.559 ( 7.315 11.338 -14.365) 19.708 17.954 ( -9.431 -0.100 -9.418) 13.329 18.409 ( 2.090 5.390 11.124) 12.537 18.672 ( -6.149 5.977 3.260) 9.174 18.762 ( 4.080 1.376 -2.148) 4.812 18.971 ( -2.935 -4.314 -5.509) 7.588 19.373 ( 7.735 -1.550 9.835) 12.608 19.711 ( -3.732 -10.448 20.936) 23.694 20.656 ( -1.365 4.866 6.125) 7.940 20.937 ( -8.684 -3.291 5.891) 10.998 21.898 ( 16.051 -3.568 -0.664) 16.456 22.239 ( -2.315 -14.840 0.209) 15.021 23.411 ( 2.530 -7.955 5.279) 9.877 23.550 ( -3.561 -13.230 4.481) 14.415 24.406 ( 1.838 3.745 -5.975) 7.287 24.534 ( -4.169 -0.076 -8.347) 9.330 25.168 ( 1.227 6.739 0.099) 6.851 25.198 ( -0.044 2.699 0.737) 2.798 25.742 ( 0.695 -3.148 -3.812) 4.992 25.758 ( 0.137 -3.316 -1.221) 3.536 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -4.706 26.721 13.569) 30.336 1.932 ( 4.706 26.721 13.569) 30.336 2.314 ( -15.294 20.927 2.573) 26.047 2.314 ( 15.294 20.927 2.573) 26.047 2.868 ( -13.001 -4.540 8.345) 16.103 2.868 ( 13.001 -4.540 8.345) 16.103 3.471 ( -2.147 -3.734 -0.681) 4.361 3.471 ( 2.147 -3.734 -0.681) 4.361 3.621 ( -7.132 -0.051 -1.757) 7.346 3.621 ( 7.132 -0.051 -1.757) 7.346 3.738 ( -5.613 4.072 5.573) 8.896 3.738 ( 5.613 4.072 5.573) 8.896 3.979 ( -4.700 -0.451 -2.066) 5.153 3.979 ( 4.700 -0.451 -2.066) 5.153 4.442 ( -0.142 -5.474 -4.654) 7.186 4.442 ( 0.142 -5.474 -4.654) 7.186 4.533 ( -3.878 8.106 -0.525) 9.001 4.533 ( 3.878 8.106 -0.525) 9.001 4.888 ( -8.408 -3.540 3.124) 9.643 4.888 ( 8.408 -3.540 3.124) 9.643 5.518 ( -4.350 2.097 -12.264) 13.180 5.518 ( 4.350 2.097 -12.264) 13.180 5.694 ( -1.536 3.441 -0.900) 3.874 5.694 ( 1.536 3.441 -0.900) 3.874 5.888 ( -2.395 4.902 -7.976) 9.663 5.888 ( 2.395 4.902 -7.976) 9.663 6.033 ( -0.795 7.934 5.176) 9.507 6.033 ( 0.795 7.934 5.176) 9.507 6.219 ( -2.445 0.564 -7.973) 8.358 6.219 ( 2.445 0.564 -7.973) 8.358 6.272 ( -5.759 -0.970 -3.643) 6.884 6.272 ( 5.759 -0.970 -3.643) 6.884 6.503 ( -3.907 -0.476 9.820) 10.579 6.503 ( 3.907 -0.476 9.820) 10.579 6.795 ( -3.354 6.433 -1.335) 7.377 6.795 ( 3.354 6.433 -1.335) 7.377 7.026 ( -1.010 0.992 6.755) 6.902 7.026 ( 1.010 0.992 6.755) 6.902 7.240 ( -3.695 -3.449 2.287) 5.548 7.240 ( 3.695 -3.449 2.287) 5.548 7.336 ( -3.234 1.058 4.331) 5.507 7.336 ( 3.234 1.058 4.331) 5.507 7.498 ( -9.940 -3.999 5.662) 12.119 7.498 ( 9.940 -3.999 5.662) 12.119 7.673 ( -1.198 0.518 11.918) 11.989 7.673 ( 1.198 0.518 11.918) 11.989 8.033 ( -2.777 -4.596 11.592) 12.776 8.033 ( 2.777 -4.596 11.592) 12.776 8.289 ( -5.305 2.213 -0.874) 5.814 8.289 ( 5.305 2.213 -0.874) 5.814 8.730 ( -2.761 3.632 1.374) 4.764 8.730 ( 2.761 3.632 1.374) 4.764 9.016 ( -3.999 1.042 -1.136) 4.286 9.016 ( 3.999 1.042 -1.136) 4.286 9.201 ( -7.851 6.454 4.788) 11.235 9.201 ( 7.851 6.454 4.788) 11.235 9.417 ( -9.817 1.308 13.599) 16.823 9.417 ( 9.817 1.308 13.599) 16.823 10.018 ( -6.020 4.236 -1.516) 7.515 10.018 ( 6.020 4.236 -1.516) 7.515 10.565 ( -1.153 -6.354 -10.360) 12.207 10.565 ( 1.153 -6.354 -10.360) 12.207 10.836 ( -3.766 10.915 -4.032) 12.230 10.836 ( 3.766 10.915 -4.032) 12.230 11.140 ( -7.987 3.253 -7.469) 11.409 11.140 ( 7.987 3.253 -7.469) 11.409 11.546 ( -5.902 -3.787 -4.252) 8.201 11.546 ( 5.902 -3.787 -4.252) 8.201 11.986 ( -2.562 -2.445 -3.240) 4.800 11.986 ( 2.562 -2.445 -3.240) 4.800 12.383 ( -3.842 -11.703 2.830) 12.639 12.383 ( 3.842 -11.703 2.830) 12.639 12.629 ( -5.647 -1.446 3.521) 6.810 12.629 ( 5.647 -1.446 3.521) 6.810 12.998 ( -0.640 -7.454 -1.397) 7.611 12.998 ( 0.640 -7.454 -1.397) 7.611 13.865 ( -7.022 -3.810 -1.565) 8.141 13.865 ( 7.022 -3.810 -1.565) 8.141 14.441 ( -2.751 3.425 -1.267) 4.573 14.441 ( 2.751 3.425 -1.267) 4.573 14.622 ( -1.662 10.676 -18.729) 21.623 14.622 ( 1.662 10.676 -18.729) 21.623 15.406 ( -10.519 5.611 -20.855) 24.022 15.406 ( 10.519 5.611 -20.855) 24.022 16.109 ( -6.982 -5.515 8.637) 12.400 16.109 ( 6.982 -5.515 8.637) 12.400 16.667 ( -2.528 -5.158 14.004) 15.137 16.667 ( 2.528 -5.158 14.004) 15.137 17.742 ( -12.699 5.244 -14.388) 19.894 17.742 ( 12.699 5.244 -14.388) 19.894 18.517 ( -9.034 6.267 12.238) 16.452 18.517 ( 9.034 6.267 12.238) 16.452 18.877 ( -7.030 -2.079 -8.373) 11.129 18.877 ( 7.030 -2.079 -8.373) 11.129 19.558 ( -11.731 -2.009 15.793) 19.775 19.558 ( 11.731 -2.009 15.793) 19.775 20.753 ( -10.449 -2.299 6.158) 12.345 20.753 ( 10.449 -2.299 6.158) 12.345 22.140 ( -9.873 -11.026 -0.108) 14.801 22.140 ( 9.873 -11.026 -0.108) 14.801 23.474 ( -4.478 -10.476 4.947) 12.420 23.474 ( 4.478 -10.476 4.947) 12.420 24.457 ( -3.975 2.095 -6.917) 8.249 24.457 ( 3.975 2.095 -6.917) 8.249 25.189 ( -0.983 4.480 0.070) 4.587 25.189 ( 0.983 4.480 0.070) 4.587 25.754 ( -0.537 -3.196 -2.541) 4.118 25.754 ( 0.537 -3.196 -2.541) 4.118 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.000 14.889 11.610) 18.880 2.386 ( 0.000 13.608 5.307) 14.606 2.561 ( 0.000 13.565 8.788) 16.163 2.671 ( 0.000 15.177 8.357) 17.326 2.803 ( 0.000 -7.784 8.560) 11.570 2.973 ( 0.000 -14.160 7.828) 16.180 3.288 ( 0.000 -5.589 0.992) 5.676 3.317 ( 0.000 -5.538 -9.008) 10.574 3.471 ( 0.000 10.072 -5.264) 11.364 3.577 ( 0.000 1.894 -1.644) 2.508 3.746 ( 0.000 -9.964 -6.689) 12.002 3.803 ( 0.000 -11.035 -6.299) 12.706 4.062 ( 0.000 10.857 -1.418) 10.949 4.153 ( 0.000 23.431 9.462) 25.269 4.230 ( 0.000 1.199 -2.499) 2.772 4.361 ( 0.000 -1.173 -4.655) 4.800 4.370 ( 0.000 -7.572 -1.452) 7.710 4.695 ( 0.000 -18.860 -1.195) 18.897 4.967 ( 0.000 15.479 3.581) 15.888 5.185 ( 0.000 -5.154 12.178) 13.224 5.447 ( 0.000 4.544 -3.298) 5.614 5.505 ( 0.000 -1.802 -1.828) 2.567 5.669 ( 0.000 3.031 -12.869) 13.221 5.727 ( 0.000 -3.082 -5.100) 5.959 5.915 ( 0.000 5.347 -6.652) 8.535 5.980 ( 0.000 -1.657 -1.950) 2.559 6.117 ( 0.000 2.261 -3.700) 4.336 6.139 ( 0.000 4.839 6.659) 8.232 6.172 ( 0.000 2.237 -7.274) 7.610 6.188 ( 0.000 -0.394 -1.692) 1.737 6.339 ( 0.000 -2.130 -9.122) 9.367 6.358 ( 0.000 -3.532 -2.604) 4.388 6.431 ( 0.000 -1.025 0.330) 1.076 6.435 ( 0.000 -0.901 6.758) 6.817 6.886 ( 0.000 6.390 0.728) 6.432 6.977 ( 0.000 -1.031 0.482) 1.138 7.009 ( 0.000 -1.390 5.652) 5.820 7.015 ( 0.000 -0.355 0.753) 0.832 7.239 ( 0.000 3.966 7.344) 8.346 7.264 ( 0.000 2.394 3.899) 4.575 7.301 ( 0.000 -0.975 5.266) 5.356 7.316 ( 0.000 -3.675 0.660) 3.734 7.477 ( 0.000 5.832 11.067) 12.509 7.484 ( 0.000 0.578 6.109) 6.137 7.558 ( 0.000 -2.763 11.287) 11.620 7.668 ( 0.000 -8.378 12.427) 14.988 7.893 ( 0.000 3.641 16.968) 17.355 7.956 ( 0.000 -1.983 8.440) 8.670 8.464 ( 0.000 2.945 -3.178) 4.332 8.473 ( 0.000 2.294 -8.869) 9.161 8.783 ( 0.000 1.950 3.581) 4.078 8.798 ( 0.000 1.722 1.451) 2.252 8.863 ( 0.000 1.284 2.957) 3.224 8.955 ( 0.000 -5.982 0.295) 5.989 9.174 ( 0.000 5.744 14.219) 15.335 9.232 ( 0.000 -0.715 15.530) 15.547 9.590 ( 0.000 8.195 -1.076) 8.265 9.731 ( 0.000 -6.438 -0.047) 6.438 9.906 ( 0.000 12.722 6.613) 14.338 10.161 ( 0.000 -9.362 2.067) 9.587 10.412 ( 0.000 -0.955 -10.993) 11.034 10.460 ( 0.000 -3.481 -9.752) 10.354 10.857 ( 0.000 7.675 -4.258) 8.777 10.963 ( 0.000 -2.874 -9.145) 9.586 11.165 ( 0.000 10.738 -10.799) 15.229 11.312 ( 0.000 -4.491 -10.102) 11.055 11.488 ( 0.000 5.578 -6.545) 8.599 11.593 ( 0.000 -5.335 -6.728) 8.587 11.884 ( 0.000 0.275 2.233) 2.250 11.985 ( 0.000 -10.180 4.853) 11.277 12.142 ( 0.000 3.005 -0.429) 3.035 12.254 ( 0.000 -8.840 1.686) 8.999 12.568 ( 0.000 8.883 3.628) 9.595 12.764 ( 0.000 4.244 1.833) 4.622 12.772 ( 0.000 -11.097 0.706) 11.120 12.876 ( 0.000 -6.609 1.024) 6.688 13.684 ( 0.000 -2.226 4.296) 4.839 13.698 ( 0.000 -2.368 2.858) 3.711 14.512 ( 0.000 2.359 -2.794) 3.657 14.532 ( 0.000 0.389 -2.681) 2.709 15.027 ( 0.000 8.444 -22.189) 23.741 15.089 ( 0.000 6.981 -32.116) 32.866 15.094 ( 0.000 1.394 -16.721) 16.779 15.231 ( 0.000 -8.304 -30.260) 31.379 16.251 ( 0.000 0.835 15.680) 15.702 16.279 ( 0.000 -2.344 10.570) 10.827 16.445 ( 0.000 -2.278 11.389) 11.615 16.464 ( 0.000 -4.518 16.906) 17.499 17.748 ( 0.000 11.850 -11.099) 16.236 17.941 ( 0.000 -7.793 -8.690) 11.673 18.499 ( 0.000 5.645 1.152) 5.761 18.621 ( 0.000 -6.273 -4.299) 7.605 18.982 ( 0.000 9.745 9.452) 13.576 19.005 ( 0.000 4.411 -8.084) 9.209 19.250 ( 0.000 -0.704 6.867) 6.903 19.412 ( 0.000 -14.880 24.359) 28.544 20.854 ( 0.000 6.057 6.605) 8.962 20.953 ( 0.000 -4.206 6.040) 7.360 21.803 ( 0.000 6.868 -0.154) 6.869 21.983 ( 0.000 -11.747 0.429) 11.755 23.315 ( 0.000 -0.464 5.259) 5.280 23.376 ( 0.000 -6.925 4.965) 8.521 24.460 ( 0.000 3.234 -5.060) 6.005 24.524 ( 0.000 -3.344 -5.956) 6.831 25.245 ( 0.000 2.132 0.193) 2.140 25.252 ( 0.000 1.996 0.475) 2.051 25.694 ( 0.000 -0.936 -4.142) 4.247 25.703 ( 0.000 -1.735 -2.600) 3.126 ======================= Grid point 66 (29/90) ======================= q-point: ( 0.25 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 1.105 15.335 9.928) 18.302 2.445 ( 3.069 16.789 6.692) 18.333 2.514 ( -1.172 15.341 8.516) 17.586 2.729 ( 4.681 7.602 8.238) 12.148 2.755 ( -5.542 -2.412 7.477) 9.614 2.917 ( -5.598 -8.290 7.184) 12.315 3.262 ( -1.480 -6.795 -7.110) 9.946 3.291 ( -1.084 -6.291 -1.651) 6.594 3.521 ( 2.004 -6.228 2.333) 6.946 3.629 ( 1.868 1.099 -5.524) 5.934 3.669 ( -0.609 -0.914 -4.835) 4.959 3.837 ( -0.152 -2.798 -8.435) 8.888 4.084 ( 2.944 5.898 -1.758) 6.822 4.186 ( 1.975 20.610 6.584) 21.726 4.247 ( 1.627 -0.032 -2.370) 2.875 4.281 ( -3.374 -8.053 -3.468) 9.394 4.468 ( 5.703 -3.881 -2.428) 7.313 4.654 ( -4.314 -14.736 -1.528) 15.430 4.953 ( -0.178 14.156 7.517) 16.029 5.130 ( -6.564 3.353 15.386) 17.060 5.420 ( 1.831 -1.744 -7.657) 8.064 5.555 ( -1.098 -2.816 -10.272) 10.708 5.671 ( 3.178 0.466 2.966) 4.372 5.760 ( 1.601 2.272 -8.946) 9.368 5.912 ( 0.279 1.278 -5.953) 6.095 5.976 ( -0.783 0.584 -5.286) 5.376 6.111 ( -0.030 4.395 2.008) 4.832 6.131 ( 1.240 1.259 -3.231) 3.683 6.173 ( -1.103 -0.216 -4.034) 4.187 6.197 ( -0.595 -0.569 -9.483) 9.519 6.320 ( -1.728 0.946 -8.657) 8.878 6.341 ( -3.250 -2.551 2.379) 4.768 6.418 ( 4.312 0.687 2.912) 5.248 6.499 ( 2.550 -1.367 7.210) 7.769 6.887 ( 0.379 5.608 -0.539) 5.647 6.952 ( -1.405 2.015 -0.228) 2.467 6.990 ( -0.987 -3.075 4.477) 5.520 7.056 ( -0.231 0.263 1.483) 1.524 7.183 ( -3.576 0.092 4.199) 5.516 7.217 ( -2.031 -1.328 5.761) 6.251 7.290 ( 1.950 -0.072 6.204) 6.504 7.367 ( 1.567 -0.316 2.032) 2.585 7.414 ( -2.310 1.795 8.331) 8.830 7.562 ( 0.623 -3.570 8.191) 8.957 7.623 ( 6.409 2.884 12.761) 14.568 7.711 ( 2.401 1.070 11.623) 11.917 7.868 ( 2.823 -2.623 10.496) 11.181 7.967 ( -0.741 -1.657 14.271) 14.386 8.369 ( -5.784 2.296 1.388) 6.376 8.443 ( -7.998 0.867 -3.029) 8.596 8.736 ( 3.410 1.236 -3.374) 4.954 8.827 ( -0.554 4.666 0.191) 4.703 8.942 ( 4.531 -0.402 2.492) 5.186 8.990 ( 2.046 -4.738 0.194) 5.164 9.199 ( 3.596 4.187 12.498) 13.663 9.285 ( 6.377 1.281 13.486) 14.972 9.496 ( -8.710 5.749 1.573) 10.554 9.641 ( -8.605 -0.147 4.657) 9.785 9.982 ( 6.139 7.012 2.385) 9.620 10.141 ( -2.308 -4.619 0.827) 5.229 10.416 ( 0.750 -3.094 -10.770) 11.230 10.459 ( -0.551 -3.995 -9.571) 10.386 10.913 ( 5.445 6.528 -5.607) 10.183 11.017 ( 5.518 -0.990 -7.793) 9.600 11.137 ( -2.632 8.897 -10.899) 14.313 11.283 ( -3.345 -1.992 -9.348) 10.126 11.474 ( -0.555 2.363 -5.926) 6.404 11.570 ( -3.488 -3.185 -4.397) 6.454 11.890 ( 0.832 -1.476 0.316) 1.723 11.947 ( -2.742 -6.209 2.406) 7.201 12.168 ( 2.075 -1.645 1.432) 3.011 12.239 ( -1.627 -7.555 2.466) 8.112 12.610 ( 4.108 8.005 2.775) 9.416 12.737 ( -2.082 3.115 1.701) 4.115 12.805 ( 2.451 -8.343 0.924) 8.744 12.870 ( -0.780 -6.936 1.143) 7.073 13.690 ( 3.721 -2.334 0.501) 4.421 13.782 ( 4.608 -2.783 3.307) 6.318 14.489 ( -1.898 1.539 -3.187) 4.016 14.524 ( -1.270 1.009 -1.754) 2.390 14.860 ( -10.795 3.929 -22.939) 25.655 14.875 ( -9.621 4.272 -21.248) 23.712 15.315 ( 13.072 4.453 -24.491) 28.116 15.434 ( 12.292 -1.868 -31.058) 33.454 16.088 ( -10.993 0.838 17.221) 20.448 16.173 ( -10.345 -4.081 5.499) 12.407 16.519 ( 5.301 -4.285 19.990) 21.120 16.544 ( 4.661 -1.695 13.044) 13.955 17.766 ( 2.131 9.372 -12.726) 15.948 17.908 ( -3.819 -4.862 -11.094) 12.701 18.492 ( 1.918 2.986 10.511) 11.094 18.679 ( 3.083 -2.526 -6.488) 7.614 18.857 ( -8.489 4.916 11.228) 14.909 18.949 ( -5.229 0.765 -14.416) 15.355 19.377 ( 10.832 2.714 12.109) 16.472 19.507 ( 6.646 -9.577 20.307) 23.415 20.761 ( -7.083 5.474 5.736) 10.632 20.861 ( -8.942 -4.509 5.981) 11.665 21.892 ( 7.792 2.818 0.245) 8.289 22.008 ( 1.752 -8.972 0.678) 9.167 23.320 ( 0.602 -1.356 5.272) 5.476 23.363 ( -1.309 -5.934 5.087) 7.925 24.460 ( 0.207 2.297 -5.156) 5.648 24.506 ( -1.799 -2.158 -5.668) 6.326 25.247 ( 0.249 1.905 0.264) 1.939 25.253 ( 0.079 1.892 0.497) 1.958 25.698 ( 0.607 -1.233 -4.024) 4.252 25.711 ( 0.469 -1.316 -3.111) 3.410 ======================= Grid point 67 (30/90) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -3.267 19.165 9.420) 21.603 2.409 ( 3.267 19.165 9.420) 21.603 2.619 ( -8.822 7.570 5.683) 12.940 2.619 ( 8.822 7.570 5.683) 12.940 2.817 ( -5.349 -0.692 7.851) 9.525 2.817 ( 5.349 -0.692 7.851) 9.525 3.267 ( -1.416 -9.538 -4.734) 10.742 3.267 ( 1.416 -9.538 -4.734) 10.742 3.561 ( -3.470 -8.244 1.844) 9.133 3.561 ( 3.470 -8.244 1.844) 9.133 3.778 ( -6.025 5.912 -8.265) 11.814 3.778 ( 6.025 5.912 -8.265) 11.814 4.155 ( -4.309 4.897 -2.036) 6.833 4.155 ( 4.309 4.897 -2.036) 6.833 4.268 ( -0.352 -0.921 -0.219) 1.010 4.268 ( 0.352 -0.921 -0.219) 1.010 4.563 ( -5.436 -7.540 -2.413) 9.604 4.563 ( 5.436 -7.540 -2.413) 9.604 5.004 ( -6.107 11.216 13.946) 18.910 5.004 ( 6.107 11.216 13.946) 18.910 5.489 ( -4.822 -4.170 -9.692) 11.600 5.489 ( 4.822 -4.170 -9.692) 11.600 5.742 ( -3.376 1.385 0.897) 3.758 5.742 ( 3.376 1.385 0.897) 3.758 5.943 ( -2.668 1.505 -9.742) 10.213 5.943 ( 2.668 1.505 -9.742) 10.213 6.136 ( -2.333 1.721 -2.206) 3.643 6.136 ( 2.333 1.721 -2.206) 3.643 6.168 ( -2.573 -2.519 -5.645) 6.696 6.168 ( 2.573 -2.519 -5.645) 6.696 6.304 ( -0.845 2.079 -5.079) 5.553 6.304 ( 0.845 2.079 -5.079) 5.553 6.498 ( -3.030 0.146 8.069) 8.620 6.498 ( 3.030 0.146 8.069) 8.620 6.911 ( -2.444 5.138 -0.924) 5.765 6.911 ( 2.444 5.138 -0.924) 5.765 7.011 ( -2.962 -2.710 3.180) 5.122 7.011 ( 2.962 -2.710 3.180) 5.122 7.170 ( -1.901 -2.425 3.704) 4.818 7.170 ( 1.901 -2.425 3.704) 4.818 7.370 ( -1.638 1.328 2.368) 3.171 7.370 ( 1.638 1.328 2.368) 3.171 7.446 ( -8.468 -1.258 11.599) 14.416 7.446 ( 8.468 -1.258 11.599) 14.416 7.731 ( -3.118 4.140 10.612) 11.810 7.731 ( 3.118 4.140 10.612) 11.810 7.940 ( -2.461 -4.376 13.469) 14.374 7.940 ( 2.461 -4.376 13.469) 14.374 8.321 ( -2.507 0.898 1.359) 2.989 8.321 ( 2.507 0.898 1.359) 2.989 8.806 ( -2.629 3.345 -2.384) 4.877 8.806 ( 2.629 3.345 -2.384) 4.877 8.989 ( -1.617 -2.441 0.962) 3.082 8.989 ( 1.617 -2.441 0.962) 3.082 9.311 ( -8.057 4.246 6.661) 11.283 9.311 ( 8.057 4.246 6.661) 11.283 9.467 ( -9.857 1.801 9.214) 13.612 9.467 ( 9.857 1.801 9.214) 13.612 10.080 ( -4.674 2.163 0.237) 5.156 10.080 ( 4.674 2.163 0.237) 5.156 10.438 ( -1.546 -4.753 -10.052) 11.226 10.438 ( 1.546 -4.753 -10.052) 11.226 11.016 ( -5.509 5.682 -8.410) 11.548 11.016 ( 5.509 5.682 -8.410) 11.548 11.189 ( -7.255 1.533 -7.627) 10.638 11.189 ( 7.255 1.533 -7.627) 10.638 11.496 ( -3.344 -1.410 -4.584) 5.847 11.496 ( 3.344 -1.410 -4.584) 5.847 11.912 ( -1.489 -3.331 0.043) 3.648 11.912 ( 1.489 -3.331 0.043) 3.648 12.204 ( -2.091 -5.465 2.742) 6.462 12.204 ( 2.091 -5.465 2.742) 6.462 12.685 ( -3.910 6.004 1.938) 7.422 12.685 ( 3.910 6.004 1.938) 7.422 12.846 ( -1.933 -7.845 1.127) 8.158 12.846 ( 1.933 -7.845 1.127) 8.158 13.784 ( -4.643 -2.870 -0.517) 5.483 13.784 ( 4.643 -2.870 -0.517) 5.483 14.487 ( -2.138 1.208 -1.551) 2.905 14.487 ( 2.138 1.208 -1.551) 2.905 14.772 ( -0.985 4.144 -20.424) 20.864 14.772 ( 0.985 4.144 -20.424) 20.864 15.506 ( -5.947 3.630 -29.086) 29.909 15.506 ( 5.947 3.630 -29.086) 29.909 16.013 ( -4.773 -3.379 11.775) 13.147 16.013 ( 4.773 -3.379 11.775) 13.147 16.578 ( -0.983 -2.906 17.206) 17.477 16.578 ( 0.983 -2.906 17.206) 17.477 17.826 ( -4.615 2.578 -13.727) 14.710 17.826 ( 4.615 2.578 -13.727) 14.710 18.595 ( -8.859 1.915 15.170) 17.671 18.595 ( 8.859 1.915 15.170) 17.671 18.854 ( -5.198 -0.475 -13.453) 14.430 18.854 ( 5.198 -0.475 -13.453) 14.430 19.533 ( -4.799 -0.646 16.635) 17.325 19.533 ( 4.799 -0.646 16.635) 17.325 20.723 ( -4.135 -0.745 5.456) 6.887 20.723 ( 4.135 -0.745 5.456) 6.887 22.000 ( -3.422 -3.533 0.687) 4.966 22.000 ( 3.422 -3.533 0.687) 4.966 23.337 ( -1.404 -3.594 5.251) 6.516 23.337 ( 1.404 -3.594 5.251) 6.516 24.474 ( -1.451 0.184 -5.325) 5.522 24.474 ( 1.451 0.184 -5.325) 5.522 25.252 ( -0.230 1.742 0.422) 1.807 25.252 ( 0.230 1.742 0.422) 1.807 25.711 ( -0.555 -1.212 -3.750) 3.980 25.711 ( 0.555 -1.212 -3.750) 3.980 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 0.000 33.183) 33.183 1.457 ( 0.000 0.000 36.570) 36.570 2.014 ( 0.000 0.000 25.447) 25.447 2.389 ( 0.000 0.000 -10.335) 10.335 2.596 ( 0.000 0.000 22.327) 22.327 2.643 ( 0.000 0.000 29.362) 29.362 2.796 ( 0.000 0.000 16.514) 16.514 3.654 ( 0.000 0.000 -2.653) 2.653 3.885 ( 0.000 0.000 5.248) 5.248 3.896 ( 0.000 0.000 -13.876) 13.876 3.899 ( 0.000 0.000 2.300) 2.300 3.965 ( 0.000 0.000 -4.627) 4.627 3.995 ( 0.000 0.000 -6.066) 6.066 4.118 ( 0.000 0.000 3.583) 3.583 4.272 ( 0.000 0.000 -7.682) 7.682 4.308 ( 0.000 0.000 1.077) 1.077 4.483 ( 0.000 0.000 4.259) 4.259 4.747 ( 0.000 0.000 3.060) 3.060 4.854 ( 0.000 0.000 -3.298) 3.298 4.902 ( 0.000 0.000 -23.342) 23.342 4.950 ( 0.000 0.000 10.941) 10.941 4.989 ( 0.000 0.000 -15.580) 15.580 5.085 ( 0.000 0.000 -29.917) 29.917 5.262 ( 0.000 0.000 11.468) 11.468 5.537 ( 0.000 0.000 7.878) 7.878 5.661 ( 0.000 0.000 5.578) 5.578 5.733 ( 0.000 0.000 15.745) 15.745 5.907 ( 0.000 0.000 -5.019) 5.019 5.908 ( 0.000 0.000 -0.843) 0.843 6.121 ( 0.000 0.000 7.349) 7.349 6.310 ( 0.000 0.000 4.624) 4.624 6.467 ( 0.000 0.000 8.929) 8.929 6.529 ( 0.000 0.000 7.199) 7.199 6.549 ( 0.000 0.000 -1.178) 1.178 6.762 ( 0.000 0.000 3.965) 3.965 6.835 ( 0.000 0.000 8.319) 8.319 6.921 ( 0.000 0.000 -6.799) 6.799 7.217 ( 0.000 0.000 10.556) 10.556 7.289 ( 0.000 0.000 0.546) 0.546 7.341 ( 0.000 0.000 -9.277) 9.277 7.480 ( 0.000 0.000 -9.916) 9.916 7.559 ( 0.000 0.000 -2.003) 2.003 7.671 ( 0.000 0.000 7.499) 7.499 7.835 ( 0.000 0.000 2.240) 2.240 7.845 ( 0.000 0.000 6.689) 6.689 8.115 ( 0.000 0.000 12.911) 12.911 8.203 ( 0.000 0.000 -4.158) 4.158 8.237 ( 0.000 0.000 -9.197) 9.197 8.303 ( 0.000 0.000 5.440) 5.440 8.440 ( 0.000 0.000 12.211) 12.211 8.446 ( 0.000 0.000 7.844) 7.844 8.546 ( 0.000 0.000 3.298) 3.298 8.778 ( 0.000 0.000 -8.127) 8.127 8.853 ( 0.000 0.000 -1.247) 1.247 9.282 ( 0.000 0.000 -4.342) 4.342 9.455 ( 0.000 0.000 11.162) 11.162 9.561 ( 0.000 0.000 9.671) 9.671 9.671 ( 0.000 0.000 7.016) 7.016 9.842 ( 0.000 0.000 -6.201) 6.201 9.876 ( 0.000 0.000 -5.852) 5.852 9.933 ( 0.000 0.000 26.963) 26.963 10.455 ( 0.000 0.000 -12.018) 12.018 10.518 ( 0.000 0.000 -20.191) 20.191 10.667 ( 0.000 0.000 -9.230) 9.230 10.940 ( 0.000 0.000 -8.840) 8.840 11.128 ( 0.000 0.000 -14.063) 14.063 11.516 ( 0.000 0.000 -8.627) 8.627 11.896 ( 0.000 0.000 -5.525) 5.525 12.104 ( 0.000 0.000 6.582) 6.582 12.218 ( 0.000 0.000 6.281) 6.281 12.510 ( 0.000 0.000 0.262) 0.262 12.708 ( 0.000 0.000 -21.437) 21.437 12.725 ( 0.000 0.000 -9.610) 9.610 12.813 ( 0.000 0.000 2.493) 2.493 12.975 ( 0.000 0.000 0.982) 0.982 13.100 ( 0.000 0.000 -11.980) 11.980 13.157 ( 0.000 0.000 5.831) 5.831 13.529 ( 0.000 0.000 9.199) 9.199 14.162 ( 0.000 0.000 -5.825) 5.825 14.337 ( 0.000 0.000 -1.775) 1.775 14.432 ( 0.000 0.000 5.905) 5.905 14.486 ( 0.000 0.000 -7.938) 7.938 14.592 ( 0.000 0.000 10.156) 10.156 15.393 ( 0.000 0.000 -25.334) 25.334 16.340 ( 0.000 0.000 -15.387) 15.387 16.600 ( 0.000 0.000 -12.288) 12.288 16.663 ( 0.000 0.000 -4.907) 4.907 16.827 ( 0.000 0.000 41.207) 41.207 17.636 ( 0.000 0.000 -1.535) 1.535 17.696 ( 0.000 0.000 2.652) 2.652 17.887 ( 0.000 0.000 -28.021) 28.021 18.231 ( 0.000 0.000 -6.240) 6.240 19.014 ( 0.000 0.000 -1.460) 1.460 19.660 ( 0.000 0.000 11.116) 11.116 20.292 ( 0.000 0.000 -6.092) 6.092 20.436 ( 0.000 0.000 5.718) 5.718 20.846 ( 0.000 0.000 25.928) 25.928 21.220 ( 0.000 0.000 7.216) 7.216 21.774 ( 0.000 0.000 -10.174) 10.174 23.278 ( 0.000 0.000 3.716) 3.716 23.453 ( 0.000 0.000 -20.632) 20.632 23.708 ( 0.000 0.000 7.918) 7.918 24.372 ( 0.000 0.000 -1.280) 1.280 24.425 ( 0.000 0.000 9.675) 9.675 24.697 ( 0.000 0.000 11.750) 11.750 25.246 ( 0.000 0.000 -15.924) 15.924 25.717 ( 0.000 0.000 -9.419) 9.419 25.959 ( 0.000 0.000 -2.709) 2.709 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -1.040 0.000 35.029) 35.044 1.522 ( 13.226 0.000 30.858) 33.573 1.864 ( -19.915 0.000 9.207) 21.941 2.243 ( -24.391 0.000 22.984) 33.514 2.526 ( 24.260 0.000 20.873) 32.004 2.931 ( 19.326 0.000 10.418) 21.955 3.118 ( 21.039 0.000 15.449) 26.102 3.560 ( -10.378 0.000 -5.373) 11.686 3.709 ( -12.914 0.000 3.744) 13.446 3.772 ( -17.345 0.000 1.381) 17.400 3.919 ( -2.146 0.000 -6.935) 7.260 3.932 ( 3.510 0.000 9.125) 9.777 3.962 ( -0.490 0.000 -5.614) 5.636 4.212 ( 6.306 0.000 -2.259) 6.699 4.264 ( -10.066 0.000 14.372) 17.546 4.270 ( 0.553 0.000 -9.526) 9.542 4.546 ( 6.671 0.000 6.245) 9.138 4.680 ( 1.974 0.000 -11.249) 11.421 4.853 ( -7.088 0.000 2.649) 7.567 4.912 ( -5.081 0.000 -13.565) 14.485 4.940 ( 1.257 0.000 -16.997) 17.043 5.006 ( 8.366 0.000 -6.092) 10.349 5.055 ( -3.209 0.000 -27.905) 28.089 5.246 ( -3.166 0.000 4.143) 5.214 5.587 ( 4.799 0.000 9.119) 10.305 5.720 ( -1.604 0.000 14.629) 14.717 5.739 ( 6.601 0.000 5.356) 8.501 5.886 ( -2.311 0.000 -0.898) 2.479 5.967 ( 7.866 0.000 -2.385) 8.219 6.136 ( 1.837 0.000 6.053) 6.326 6.260 ( -4.404 0.000 3.176) 5.429 6.463 ( -9.411 0.000 7.830) 12.243 6.510 ( 0.902 0.000 5.290) 5.367 6.583 ( -5.446 0.000 1.627) 5.684 6.635 ( 8.596 0.000 1.436) 8.715 6.902 ( 6.387 0.000 8.271) 10.450 7.040 ( -12.552 0.000 5.147) 13.566 7.061 ( 5.006 0.000 0.776) 5.066 7.310 ( 1.577 0.000 -1.023) 1.880 7.424 ( -4.297 0.000 -5.999) 7.379 7.515 ( 12.914 0.000 -4.927) 13.822 7.629 ( 6.081 0.000 -2.859) 6.719 7.643 ( 1.334 0.000 6.161) 6.303 7.826 ( -2.572 0.000 7.027) 7.483 7.929 ( 7.518 0.000 0.826) 7.563 8.003 ( -9.338 0.000 7.547) 12.007 8.085 ( -11.393 0.000 -3.119) 11.812 8.175 ( -5.788 0.000 -5.880) 8.251 8.349 ( 4.134 0.000 2.559) 4.862 8.440 ( -0.748 0.000 7.808) 7.844 8.462 ( 2.963 0.000 11.215) 11.600 8.681 ( 11.340 0.000 5.513) 12.610 8.770 ( -9.045 0.000 0.560) 9.062 8.830 ( 3.893 0.000 -5.373) 6.635 9.279 ( 0.474 0.000 -4.425) 4.450 9.465 ( 1.605 0.000 11.412) 11.524 9.533 ( -11.503 0.000 2.522) 11.777 9.551 ( -1.351 0.000 10.721) 10.806 9.873 ( 2.673 0.000 -5.013) 5.681 9.924 ( 2.207 0.000 -3.614) 4.235 9.984 ( 5.893 0.000 22.013) 22.788 10.364 ( -12.934 0.000 -8.117) 15.270 10.538 ( 9.216 0.000 -12.399) 15.449 10.755 ( 6.269 0.000 -12.003) 13.541 10.919 ( -2.429 0.000 -9.720) 10.019 10.994 ( -12.586 0.000 -13.533) 18.481 11.608 ( 7.997 0.000 -8.509) 11.677 11.854 ( -4.563 0.000 -6.014) 7.550 12.102 ( 0.031 0.000 6.889) 6.889 12.175 ( -3.813 0.000 6.808) 7.803 12.549 ( 4.098 0.000 -2.051) 4.583 12.701 ( -2.564 0.000 -8.634) 9.007 12.778 ( 7.025 0.000 -19.420) 20.652 12.861 ( 4.591 0.000 2.747) 5.349 12.969 ( -0.715 0.000 1.069) 1.286 13.048 ( -5.612 0.000 -13.306) 14.441 13.158 ( 0.621 0.000 6.535) 6.564 13.396 ( -11.784 0.000 9.722) 15.277 14.170 ( 1.080 0.000 -4.462) 4.591 14.275 ( -4.606 0.000 -1.213) 4.763 14.492 ( 4.323 0.000 5.370) 6.894 14.586 ( -0.909 0.000 9.094) 9.139 14.678 ( 18.498 0.000 -10.075) 21.064 15.297 ( -10.890 0.000 -22.541) 25.034 16.364 ( 2.922 0.000 -13.940) 14.243 16.579 ( -7.823 0.000 -6.156) 9.955 16.656 ( 6.142 0.000 -7.073) 9.368 16.837 ( 0.073 0.000 32.781) 32.781 17.632 ( -3.911 0.000 -1.301) 4.122 17.748 ( 11.116 0.000 -2.973) 11.507 17.841 ( -7.529 0.000 -10.710) 13.091 18.155 ( -8.263 0.000 -5.978) 10.198 19.034 ( 3.362 0.000 1.924) 3.874 19.733 ( -46.120 0.000 21.683) 50.962 19.744 ( 9.035 0.000 10.183) 13.613 20.175 ( -11.500 0.000 0.385) 11.506 20.930 ( 7.821 0.000 19.312) 20.836 21.180 ( -4.464 0.000 8.442) 9.549 22.460 ( 47.325 0.000 -27.662) 54.817 23.333 ( 6.060 0.000 4.160) 7.351 23.377 ( -9.201 0.000 -23.007) 24.779 23.632 ( -7.789 0.000 7.010) 10.480 24.455 ( 9.517 0.000 -2.953) 9.965 24.480 ( 5.445 0.000 10.254) 11.610 24.667 ( -3.347 0.000 11.600) 12.073 25.038 ( -18.785 0.000 -12.896) 22.786 25.813 ( 7.052 0.000 -8.545) 11.079 25.948 ( -1.269 0.000 -3.424) 3.651 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -15.525 0.000 21.929) 26.868 1.523 ( 15.525 0.000 21.929) 26.868 1.834 ( -21.464 0.000 26.483) 34.090 1.834 ( 21.464 0.000 26.483) 34.090 2.984 ( -20.171 0.000 10.372) 22.682 2.984 ( 20.171 0.000 10.372) 22.682 3.451 ( -16.752 0.000 10.603) 19.826 3.451 ( 16.752 0.000 10.603) 19.826 3.494 ( -11.090 0.000 3.012) 11.492 3.494 ( 11.090 0.000 3.012) 11.492 3.922 ( -2.269 0.000 -5.199) 5.673 3.922 ( 2.269 0.000 -5.199) 5.673 4.052 ( -10.417 0.000 14.925) 18.201 4.052 ( 10.417 0.000 14.925) 18.201 4.277 ( -1.000 0.000 -9.184) 9.238 4.277 ( 1.000 0.000 -9.184) 9.238 4.696 ( -9.660 0.000 8.201) 12.672 4.696 ( 9.660 0.000 8.201) 12.672 4.788 ( -7.815 0.000 -16.162) 17.952 4.788 ( 7.815 0.000 -16.162) 17.952 4.988 ( -3.787 0.000 -24.983) 25.269 4.988 ( 3.787 0.000 -24.983) 25.269 5.151 ( -7.231 0.000 -2.438) 7.631 5.151 ( 7.231 0.000 -2.438) 7.631 5.671 ( -4.095 0.000 11.924) 12.608 5.671 ( 4.095 0.000 11.924) 12.608 5.829 ( -3.962 0.000 0.371) 3.979 5.829 ( 3.962 0.000 0.371) 3.979 6.186 ( -3.719 0.000 3.741) 5.275 6.186 ( 3.719 0.000 3.741) 5.275 6.194 ( -16.189 0.000 2.065) 16.320 6.194 ( 16.189 0.000 2.065) 16.320 6.549 ( -1.684 0.000 5.569) 5.818 6.549 ( 1.684 0.000 5.569) 5.818 6.821 ( -12.036 0.000 3.733) 12.602 6.821 ( 12.036 0.000 3.733) 12.602 7.028 ( -6.641 0.000 6.378) 9.208 7.028 ( 6.641 0.000 6.378) 9.208 7.353 ( -3.353 0.000 -2.598) 4.242 7.353 ( 3.353 0.000 -2.598) 4.242 7.700 ( -3.380 0.000 -5.883) 6.785 7.700 ( 3.380 0.000 -5.883) 6.785 7.740 ( -7.015 0.000 5.947) 9.197 7.740 ( 7.015 0.000 5.947) 9.197 7.905 ( -3.637 0.000 2.723) 4.544 7.905 ( 3.637 0.000 2.723) 4.544 8.058 ( -7.136 0.000 -2.756) 7.650 8.058 ( 7.136 0.000 -2.756) 7.650 8.412 ( -2.476 0.000 4.667) 5.283 8.412 ( 2.476 0.000 4.667) 5.283 8.581 ( -10.514 0.000 6.621) 12.425 8.581 ( 10.514 0.000 6.621) 12.425 8.837 ( -4.580 0.000 1.734) 4.897 8.837 ( 4.580 0.000 1.734) 4.897 9.347 ( -8.118 0.000 -2.141) 8.395 9.347 ( 8.118 0.000 -2.141) 8.395 9.511 ( -3.026 0.000 11.627) 12.015 9.511 ( 3.026 0.000 11.627) 12.015 9.920 ( -2.096 0.000 -3.959) 4.479 9.920 ( 2.096 0.000 -3.959) 4.479 10.139 ( -11.533 0.000 8.789) 14.500 10.139 ( 11.533 0.000 8.789) 14.500 10.751 ( -14.053 0.000 -12.965) 19.120 10.751 ( 14.053 0.000 -12.965) 19.120 10.854 ( -4.828 0.000 -11.041) 12.051 10.854 ( 4.828 0.000 -11.041) 12.051 11.747 ( -7.311 0.000 -7.326) 10.350 11.747 ( 7.311 0.000 -7.326) 10.350 12.118 ( -2.153 0.000 7.288) 7.600 12.118 ( 2.153 0.000 7.288) 7.600 12.634 ( -4.867 0.000 -6.211) 7.891 12.634 ( 4.867 0.000 -6.211) 7.891 12.920 ( -8.401 0.000 -16.166) 18.218 12.920 ( 8.401 0.000 -16.166) 18.218 12.939 ( -3.292 0.000 1.992) 3.848 12.939 ( 3.292 0.000 1.992) 3.848 13.216 ( -7.061 0.000 9.086) 11.507 13.216 ( 7.061 0.000 9.086) 11.507 14.206 ( -3.073 0.000 -2.491) 3.956 14.206 ( 3.073 0.000 -2.491) 3.956 14.555 ( -2.702 0.000 7.001) 7.505 14.555 ( 2.702 0.000 7.001) 7.505 15.026 ( -19.109 0.000 -15.948) 24.889 15.026 ( 19.109 0.000 -15.948) 24.889 16.446 ( -6.442 0.000 -10.124) 11.999 16.446 ( 6.442 0.000 -10.124) 11.999 16.783 ( -6.554 0.000 9.208) 11.303 16.783 ( 6.554 0.000 9.208) 11.303 17.663 ( -8.434 0.000 4.832) 9.720 17.663 ( 8.434 0.000 4.832) 9.720 17.966 ( -12.530 0.000 -4.968) 13.479 17.966 ( 12.530 0.000 -4.968) 13.479 19.194 ( -17.077 0.000 11.882) 20.804 19.194 ( 17.077 0.000 11.882) 20.804 19.947 ( -13.254 0.000 6.975) 14.977 19.947 ( 13.254 0.000 6.975) 14.977 21.072 ( -7.588 0.000 12.268) 14.425 21.072 ( 7.588 0.000 12.268) 14.425 23.094 ( -24.742 0.000 -28.817) 37.981 23.094 ( 24.742 0.000 -28.817) 37.981 23.474 ( -9.307 0.000 5.393) 10.756 23.474 ( 9.307 0.000 5.393) 10.756 24.585 ( -5.754 0.000 11.102) 12.504 24.585 ( 5.754 0.000 11.102) 12.504 24.701 ( -17.886 0.000 -7.810) 19.517 24.701 ( 17.886 0.000 -7.810) 19.517 25.908 ( -3.642 0.000 -5.577) 6.661 25.908 ( 3.642 0.000 -5.577) 6.661 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 10.685 30.567) 32.380 1.596 ( 0.000 13.701 34.218) 36.859 2.174 ( 0.000 13.787 15.493) 20.739 2.364 ( 0.000 -1.260 -3.376) 3.604 2.566 ( 0.000 0.096 24.317) 24.317 2.824 ( 0.000 15.951 30.030) 34.003 2.850 ( 0.000 4.526 12.154) 12.970 3.637 ( 0.000 -1.456 -4.017) 4.273 3.812 ( 0.000 -5.760 -6.796) 8.909 3.877 ( 0.000 -3.284 -12.306) 12.736 3.889 ( 0.000 -2.455 4.341) 4.987 3.973 ( 0.000 6.285 4.213) 7.566 4.078 ( 0.000 -4.092 3.378) 5.306 4.094 ( 0.000 3.080 -0.133) 3.083 4.175 ( 0.000 -6.934 -7.085) 9.914 4.304 ( 0.000 -0.628 -0.487) 0.795 4.469 ( 0.000 -2.136 1.766) 2.771 4.636 ( 0.000 -12.001 -3.681) 12.553 4.843 ( 0.000 8.583 1.051) 8.647 4.940 ( 0.000 3.257 -22.819) 23.050 5.050 ( 0.000 5.158 -14.957) 15.822 5.078 ( 0.000 5.221 9.485) 10.827 5.174 ( 0.000 8.968 -28.573) 29.947 5.407 ( 0.000 13.795 5.279) 14.771 5.469 ( 0.000 -2.943 10.500) 10.905 5.764 ( 0.000 6.019 5.486) 8.144 5.775 ( 0.000 3.813 14.460) 14.954 5.923 ( 0.000 1.494 -6.154) 6.333 5.955 ( 0.000 4.334 -0.191) 4.338 6.111 ( 0.000 -0.403 4.267) 4.286 6.306 ( 0.000 0.579 8.632) 8.651 6.480 ( 0.000 -0.685 8.720) 8.747 6.533 ( 0.000 -1.252 1.057) 1.639 6.593 ( 0.000 6.022 7.186) 9.376 6.755 ( 0.000 2.242 2.318) 3.225 6.802 ( 0.000 -2.618 5.349) 5.956 6.928 ( 0.000 1.025 -6.717) 6.794 7.150 ( 0.000 -6.145 8.753) 10.695 7.361 ( 0.000 1.783 -5.246) 5.541 7.370 ( 0.000 6.213 1.552) 6.404 7.431 ( 0.000 -10.405 -2.099) 10.615 7.440 ( 0.000 -2.507 -5.556) 6.095 7.695 ( 0.000 1.654 7.496) 7.677 7.841 ( 0.000 -2.339 3.519) 4.226 7.913 ( 0.000 -10.631 7.109) 12.789 7.941 ( 0.000 5.237 4.816) 7.115 8.144 ( 0.000 -3.236 -3.472) 4.746 8.244 ( 0.000 -2.367 3.094) 3.896 8.297 ( 0.000 -8.838 9.702) 13.124 8.414 ( 0.000 9.397 -6.169) 11.241 8.577 ( 0.000 10.032 11.519) 15.275 8.657 ( 0.000 8.269 4.637) 9.480 8.791 ( 0.000 -5.146 -0.071) 5.147 8.913 ( 0.000 9.241 -1.233) 9.323 9.224 ( 0.000 -6.160 1.040) 6.247 9.409 ( 0.000 -3.081 9.250) 9.750 9.484 ( 0.000 -0.564 2.462) 2.526 9.733 ( 0.000 -6.030 14.688) 15.878 9.846 ( 0.000 11.295 5.771) 12.684 9.930 ( 0.000 6.993 -4.410) 8.267 10.125 ( 0.000 10.104 2.239) 10.349 10.398 ( 0.000 -4.538 -10.657) 11.582 10.536 ( 0.000 2.695 -10.450) 10.792 10.648 ( 0.000 -2.117 -8.769) 9.021 10.856 ( 0.000 -7.045 -13.102) 14.876 11.161 ( 0.000 2.151 -10.931) 11.141 11.492 ( 0.000 -4.208 -7.098) 8.251 11.831 ( 0.000 -6.293 -7.409) 9.721 11.918 ( 0.000 -7.204 2.522) 7.633 12.021 ( 0.000 -11.232 5.918) 12.696 12.715 ( 0.000 -0.593 -14.992) 15.004 12.769 ( 0.000 -4.757 1.764) 5.073 12.809 ( 0.000 10.355 1.869) 10.523 12.950 ( 0.000 17.923 -7.282) 19.346 12.969 ( 0.000 -0.014 -0.624) 0.624 13.068 ( 0.000 -2.778 -9.531) 9.927 13.104 ( 0.000 -2.105 5.539) 5.926 13.588 ( 0.000 8.468 -5.002) 9.835 14.225 ( 0.000 5.629 -4.796) 7.395 14.367 ( 0.000 2.721 -3.152) 4.164 14.395 ( 0.000 -4.467 5.295) 6.928 14.445 ( 0.000 -5.865 0.145) 5.867 14.578 ( 0.000 1.367 -2.189) 2.581 15.334 ( 0.000 -6.196 -24.302) 25.080 16.339 ( 0.000 -0.124 -14.304) 14.304 16.575 ( 0.000 -1.383 -6.998) 7.133 16.750 ( 0.000 7.880 -9.914) 12.664 16.809 ( 0.000 -1.950 36.237) 36.289 17.339 ( 0.000 -17.592 1.753) 17.679 17.889 ( 0.000 7.296 -0.951) 7.358 17.936 ( 0.000 4.903 -27.687) 28.118 18.302 ( 0.000 6.720 -4.664) 8.180 18.992 ( 0.000 -1.728 2.298) 2.875 19.569 ( 0.000 -8.407 12.540) 15.097 20.113 ( 0.000 -16.611 7.389) 18.180 20.495 ( 0.000 4.780 7.739) 9.096 20.780 ( 0.000 -6.106 23.865) 24.634 21.178 ( 0.000 -2.911 7.136) 7.707 21.687 ( 0.000 -5.102 -5.773) 7.704 22.946 ( 0.000 -20.325 -3.776) 20.672 23.735 ( 0.000 13.530 -9.616) 16.599 23.878 ( 0.000 12.051 -1.472) 12.140 24.076 ( 0.000 -13.593 2.392) 13.802 24.530 ( 0.000 -14.094 7.550) 15.988 24.716 ( 0.000 14.920 3.228) 15.265 25.239 ( 0.000 -0.979 -8.136) 8.195 25.706 ( 0.000 -1.176 -8.954) 9.031 25.919 ( 0.000 -3.873 -2.513) 4.617 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -1.813 13.182 33.015) 35.595 1.615 ( 11.718 10.275 28.712) 32.669 1.927 ( -20.094 6.125 10.796) 23.619 2.272 ( -19.812 4.193 21.646) 29.642 2.665 ( 20.731 10.327 8.575) 24.697 2.933 ( 17.845 2.998 20.677) 27.477 3.191 ( 18.906 6.330 12.511) 23.538 3.533 ( -9.074 -2.256 -3.292) 9.913 3.741 ( -12.871 1.906 5.231) 14.023 3.761 ( -9.096 -0.886 -1.923) 9.339 3.888 ( -5.999 -3.881 -8.529) 11.126 3.913 ( -2.177 -4.110 -1.486) 4.883 3.997 ( 3.146 6.318 7.615) 10.383 4.142 ( 1.131 -5.094 1.567) 5.449 4.226 ( 2.662 -2.882 -12.951) 13.532 4.323 ( 0.014 2.561 12.776) 13.030 4.522 ( 1.276 -0.548 1.317) 1.914 4.646 ( 4.148 -11.447 -4.097) 12.847 4.769 ( -5.167 4.440 -0.356) 6.822 4.936 ( -2.606 2.026 -17.720) 18.025 5.012 ( -1.585 5.882 -15.115) 16.296 5.086 ( 0.366 3.127 -13.274) 13.642 5.154 ( -0.092 9.569 -17.029) 19.533 5.344 ( -5.268 9.535 -0.123) 10.894 5.592 ( 8.662 1.909 10.985) 14.119 5.763 ( -1.284 3.874 12.940) 13.568 5.813 ( 4.076 5.500 4.636) 8.268 5.927 ( -2.407 3.867 -0.681) 4.605 5.969 ( 5.727 0.591 -2.940) 6.465 6.139 ( 2.957 -0.047 3.675) 4.717 6.282 ( -3.002 2.728 3.676) 5.474 6.433 ( -6.794 -2.982 11.402) 13.603 6.543 ( 0.505 1.750 4.835) 5.166 6.624 ( -4.852 4.494 -0.104) 6.614 6.647 ( 5.043 2.322 3.485) 6.555 6.870 ( 5.691 -1.239 6.386) 8.643 6.951 ( -3.443 -4.380 3.383) 6.518 7.155 ( 1.269 2.201 2.629) 3.656 7.299 ( -2.396 1.611 -2.736) 3.978 7.390 ( -3.075 -2.513 -1.241) 4.161 7.479 ( 6.769 -5.515 -3.923) 9.572 7.526 ( 7.890 -5.576 0.805) 9.695 7.698 ( 3.931 2.668 5.570) 7.321 7.799 ( -7.344 -11.223 3.666) 13.904 7.878 ( -6.361 -1.555 1.349) 6.686 7.931 ( 0.927 1.274 7.162) 7.333 8.042 ( -4.898 -0.274 -0.258) 4.912 8.193 ( -5.225 -0.614 -2.264) 5.727 8.384 ( 6.832 -4.257 8.547) 11.741 8.490 ( 6.123 7.231 0.574) 9.493 8.573 ( 0.508 10.487 8.462) 13.485 8.694 ( -3.411 -3.141 3.466) 5.789 8.791 ( 4.963 5.926 2.109) 8.012 8.906 ( -0.834 7.400 -0.258) 7.451 9.220 ( 0.164 -5.784 1.724) 6.038 9.369 ( -4.743 -5.538 9.841) 12.248 9.509 ( 2.949 2.798 1.811) 4.451 9.677 ( -5.862 2.752 6.509) 9.182 9.845 ( 2.426 1.315 8.069) 8.528 9.944 ( 0.192 4.403 -1.538) 4.668 10.160 ( 2.434 10.460 2.485) 11.024 10.322 ( -7.699 -2.041 -6.610) 10.350 10.574 ( 6.243 2.888 -9.304) 11.571 10.722 ( 5.606 -3.504 -9.379) 11.475 10.832 ( -2.231 -5.349 -13.917) 15.076 11.058 ( -9.646 3.422 -9.934) 14.263 11.565 ( 6.545 -5.281 -7.192) 11.066 11.785 ( -4.665 -6.391 -6.728) 10.386 11.940 ( 2.053 -7.165 2.673) 7.918 12.011 ( -1.207 -9.668 5.213) 11.050 12.723 ( 0.491 -1.180 -11.437) 11.508 12.737 ( -1.329 1.620 -2.922) 3.595 12.870 ( 4.403 1.398 2.227) 5.128 12.935 ( 0.097 8.333 -6.107) 10.332 12.992 ( 0.145 3.326 -1.343) 3.590 13.033 ( -3.526 -0.934 -9.900) 10.551 13.138 ( 4.743 4.670 4.648) 8.119 13.475 ( -10.764 10.404 -1.800) 15.078 14.209 ( -0.341 3.508 -4.204) 5.487 14.293 ( -4.519 1.428 -1.614) 5.006 14.460 ( 3.797 -3.124 3.780) 6.202 14.511 ( 1.824 -6.839 6.772) 9.796 14.693 ( 14.815 1.574 -11.770) 18.986 15.247 ( -9.941 -5.171 -22.377) 25.026 16.360 ( 2.443 -0.588 -11.588) 11.858 16.530 ( -5.308 -3.357 -0.910) 6.346 16.754 ( 2.550 8.281 -10.509) 13.621 16.837 ( 1.927 -0.200 27.780) 27.847 17.402 ( 5.457 -16.244 1.518) 17.204 17.691 ( -12.783 -1.316 -13.803) 18.859 18.058 ( 5.293 11.451 -7.394) 14.622 18.248 ( -5.545 8.465 -4.052) 10.900 19.017 ( 3.908 -1.238 5.486) 6.848 19.546 ( -14.293 -10.825 18.350) 25.655 19.816 ( -12.071 -1.152 15.450) 19.640 20.188 ( -16.771 2.157 5.014) 17.637 20.881 ( 9.263 -4.662 17.752) 20.559 21.165 ( -4.313 -1.414 8.338) 9.493 22.230 ( 39.928 -17.007 -14.812) 45.857 22.926 ( -3.442 -21.644 -6.062) 22.739 23.732 ( -0.069 14.894 -9.422) 17.624 23.824 ( -4.871 13.113 -3.235) 14.358 24.138 ( 6.617 -14.369 3.208) 16.142 24.462 ( -7.477 -15.527 6.256) 18.334 24.776 ( 6.357 13.943 2.305) 15.496 25.115 ( -11.145 4.418 -5.612) 13.237 25.779 ( 5.894 -3.121 -7.741) 10.218 25.907 ( -1.378 -3.959 -3.208) 5.279 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -12.474 9.766 23.405) 28.263 1.622 ( 12.474 9.766 23.405) 28.263 1.903 ( -19.884 7.575 24.493) 32.445 1.903 ( 19.884 7.575 24.493) 32.445 3.043 ( -14.960 4.352 4.582) 16.240 3.043 ( 14.960 4.352 4.582) 16.240 3.407 ( -15.427 -0.192 11.068) 18.988 3.407 ( 15.427 -0.192 11.068) 18.988 3.589 ( -11.489 5.731 5.589) 14.003 3.589 ( 11.489 5.731 5.589) 14.003 3.867 ( -1.920 -5.412 -5.077) 7.664 3.867 ( 1.920 -5.412 -5.077) 7.664 4.089 ( -6.486 2.581 10.573) 12.669 4.089 ( 6.486 2.581 10.573) 12.669 4.271 ( -2.795 1.010 -6.904) 7.516 4.271 ( 2.795 1.010 -6.904) 7.516 4.605 ( -7.040 -6.773 7.064) 12.056 4.605 ( 7.040 -6.773 7.064) 12.056 4.823 ( -7.956 1.576 -13.074) 15.385 4.823 ( 7.956 1.576 -13.074) 15.385 5.046 ( -3.481 4.444 -24.862) 25.495 5.046 ( 3.481 4.444 -24.862) 25.495 5.230 ( -6.924 8.303 -3.640) 11.407 5.230 ( 6.924 8.303 -3.640) 11.407 5.713 ( -4.803 3.935 11.201) 12.807 5.713 ( 4.803 3.935 11.201) 12.807 5.872 ( -3.174 3.889 0.526) 5.047 5.872 ( 3.174 3.889 0.526) 5.047 6.128 ( -8.351 -2.318 -0.028) 8.666 6.128 ( 8.351 -2.318 -0.028) 8.666 6.274 ( -6.412 4.090 6.234) 9.834 6.274 ( 6.412 4.090 6.234) 9.834 6.574 ( -2.153 2.867 4.279) 5.582 6.574 ( 2.153 2.867 4.279) 5.582 6.784 ( -9.071 -2.771 6.450) 11.470 6.784 ( 9.071 -2.771 6.450) 11.470 7.056 ( -10.011 2.211 2.905) 10.656 7.056 ( 10.011 2.211 2.905) 10.656 7.328 ( -3.906 -1.138 -0.228) 4.075 7.328 ( 3.906 -1.138 -0.228) 4.075 7.618 ( -6.346 -8.137 -4.541) 11.274 7.618 ( 6.346 -8.137 -4.541) 11.274 7.710 ( -7.515 -8.675 4.799) 12.440 7.710 ( 7.515 -8.675 4.799) 12.440 7.843 ( -8.230 5.366 5.386) 11.204 7.843 ( 8.230 5.366 5.386) 11.204 8.087 ( -6.116 0.178 -2.125) 6.477 8.087 ( 6.116 0.178 -2.125) 6.477 8.508 ( -5.911 -2.012 10.063) 11.843 8.508 ( 5.911 -2.012 10.063) 11.843 8.603 ( -3.268 9.103 0.282) 9.676 8.603 ( 3.268 9.103 0.282) 9.676 8.880 ( -2.842 5.055 2.313) 6.244 8.880 ( 2.842 5.055 2.313) 6.244 9.265 ( -5.474 -5.800 6.324) 10.179 9.265 ( 5.474 -5.800 6.324) 10.179 9.580 ( -4.826 5.232 2.457) 7.530 9.580 ( 4.826 5.232 2.457) 7.530 9.913 ( -3.873 -1.087 3.099) 5.078 9.913 ( 3.873 -1.087 3.099) 5.078 10.206 ( -4.122 6.579 0.856) 7.811 10.206 ( 4.122 6.579 0.856) 7.811 10.710 ( -7.061 -3.476 -11.373) 13.831 10.710 ( 7.061 -3.476 -11.373) 13.831 10.886 ( -8.595 2.409 -10.092) 13.473 10.886 ( 8.595 2.409 -10.092) 13.473 11.684 ( -6.566 -6.214 -6.744) 11.278 11.684 ( 6.566 -6.214 -6.744) 11.278 11.980 ( -2.262 -7.680 3.886) 8.899 11.980 ( 2.262 -7.680 3.886) 8.899 12.727 ( -0.346 0.162 -6.871) 6.882 12.727 ( 0.346 0.162 -6.871) 6.882 12.940 ( -3.090 0.134 -2.767) 4.150 12.940 ( 3.090 0.134 -2.767) 4.150 12.976 ( -1.919 2.616 -5.564) 6.441 12.976 ( 1.919 2.616 -5.564) 6.441 13.278 ( -10.545 11.185 2.548) 15.582 13.278 ( 10.545 11.185 2.548) 15.582 14.229 ( -2.563 2.158 -2.859) 4.404 14.229 ( 2.563 2.158 -2.859) 4.404 14.508 ( -1.575 -4.469 5.249) 7.072 14.508 ( 1.575 -4.469 5.249) 7.072 14.999 ( -17.437 -2.651 -17.061) 24.538 14.999 ( 17.437 -2.651 -17.061) 24.538 16.427 ( -5.288 -2.008 -5.045) 7.580 16.427 ( 5.288 -2.008 -5.045) 7.580 16.827 ( -3.640 4.220 6.122) 8.278 16.827 ( 3.640 4.220 6.122) 8.278 17.505 ( -7.526 -10.443 -2.920) 13.199 17.505 ( 7.526 -10.443 -2.920) 13.199 18.142 ( -5.547 12.306 -2.521) 13.731 18.142 ( 5.547 12.306 -2.521) 13.731 19.179 ( -15.877 -1.413 14.311) 21.422 19.179 ( 15.877 -1.413 14.311) 21.422 19.926 ( -13.241 -1.924 8.888) 16.063 19.926 ( 13.241 -1.924 8.888) 16.063 21.046 ( -8.684 -2.550 11.666) 14.765 21.046 ( 8.684 -2.550 11.666) 14.765 22.754 ( -18.584 -22.566 -13.018) 32.001 22.754 ( 18.584 -22.566 -13.018) 32.001 23.751 ( -2.713 15.628 -6.963) 17.323 23.751 ( 2.713 15.628 -6.963) 17.323 24.294 ( -10.422 -16.312 4.213) 19.810 24.294 ( 10.422 -16.312 4.213) 19.810 24.922 ( -10.034 10.867 -0.793) 14.812 24.922 ( 10.034 10.867 -0.793) 14.812 25.865 ( -3.606 -4.022 -5.180) 7.484 25.865 ( 3.606 -4.022 -5.180) 7.484 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 18.501 22.421) 29.069 1.945 ( 0.000 21.109 29.134) 35.978 2.389 ( 0.000 4.507 5.915) 7.437 2.432 ( 0.000 11.184 8.052) 13.781 2.637 ( 0.000 8.189 20.199) 21.795 2.944 ( 0.000 5.163 6.866) 8.590 3.224 ( 0.000 22.923 26.249) 34.849 3.608 ( 0.000 -2.037 -5.339) 5.714 3.711 ( 0.000 -4.652 -6.761) 8.207 3.733 ( 0.000 -10.225 -8.475) 13.280 3.805 ( 0.000 -6.287 8.081) 10.239 3.959 ( 0.000 -8.025 0.886) 8.074 4.046 ( 0.000 -6.448 -4.849) 8.068 4.080 ( 0.000 -2.598 2.979) 3.953 4.148 ( 0.000 9.526 2.532) 9.857 4.329 ( 0.000 -9.169 5.315) 10.599 4.338 ( 0.000 4.040 -1.328) 4.252 4.544 ( 0.000 1.059 -10.521) 10.574 4.968 ( 0.000 -1.086 -16.398) 16.434 5.051 ( 0.000 11.670 -3.607) 12.215 5.150 ( 0.000 2.518 2.253) 3.378 5.151 ( 0.000 4.830 -15.524) 16.258 5.367 ( 0.000 7.425 -26.701) 27.714 5.494 ( 0.000 7.807 10.473) 13.063 5.692 ( 0.000 11.018 -3.288) 11.498 5.833 ( 0.000 1.061 6.772) 6.855 5.878 ( 0.000 8.778 13.439) 16.052 5.956 ( 0.000 1.770 -6.161) 6.410 6.037 ( 0.000 2.526 -0.125) 2.529 6.136 ( 0.000 3.255 1.061) 3.424 6.319 ( 0.000 0.605 14.562) 14.575 6.461 ( 0.000 -0.452 3.979) 4.005 6.513 ( 0.000 -1.098 2.358) 2.601 6.710 ( 0.000 5.769 5.639) 8.067 6.757 ( 0.000 -2.854 0.111) 2.857 6.888 ( 0.000 9.644 2.167) 9.885 6.926 ( 0.000 -1.072 2.258) 2.499 7.096 ( 0.000 2.899 2.766) 4.007 7.236 ( 0.000 -7.534 -1.788) 7.744 7.372 ( 0.000 -1.696 6.139) 6.369 7.402 ( 0.000 -0.897 -5.854) 5.922 7.470 ( 0.000 2.551 4.781) 5.419 7.674 ( 0.000 -8.262 4.176) 9.257 7.690 ( 0.000 -3.656 5.330) 6.464 7.836 ( 0.000 -2.097 6.820) 7.135 7.940 ( 0.000 -0.642 3.503) 3.562 8.132 ( 0.000 2.482 -4.073) 4.770 8.145 ( 0.000 -7.095 8.904) 11.385 8.351 ( 0.000 10.273 6.641) 12.233 8.532 ( 0.000 -5.762 10.553) 12.024 8.608 ( 0.000 4.038 -0.087) 4.039 8.800 ( 0.000 4.934 4.697) 6.812 8.861 ( 0.000 9.619 2.376) 9.908 9.043 ( 0.000 0.607 5.019) 5.056 9.116 ( 0.000 0.972 8.183) 8.240 9.384 ( 0.000 0.831 7.283) 7.331 9.564 ( 0.000 7.450 -6.998) 10.222 9.669 ( 0.000 -0.764 18.447) 18.463 10.011 ( 0.000 -0.995 4.553) 4.660 10.041 ( 0.000 7.899 2.993) 8.447 10.208 ( 0.000 0.506 -13.288) 13.297 10.432 ( 0.000 8.454 -6.619) 10.737 10.566 ( 0.000 -7.225 -8.306) 11.009 10.634 ( 0.000 7.298 -2.942) 7.869 10.730 ( 0.000 -4.209 -16.706) 17.228 11.187 ( 0.000 0.312 -9.211) 9.216 11.359 ( 0.000 -7.213 -4.263) 8.379 11.678 ( 0.000 -8.826 -10.516) 13.729 11.884 ( 0.000 -2.772 1.718) 3.261 11.918 ( 0.000 4.284 -4.108) 5.936 12.609 ( 0.000 -11.327 3.521) 11.862 12.647 ( 0.000 -6.877 -5.221) 8.634 12.792 ( 0.000 -6.530 9.175) 11.261 12.914 ( 0.000 -8.275 2.140) 8.547 12.987 ( 0.000 0.991 -1.819) 2.071 13.018 ( 0.000 -2.093 -4.899) 5.328 13.452 ( 0.000 20.368 -1.732) 20.442 13.861 ( 0.000 18.012 -24.379) 30.311 14.196 ( 0.000 -14.220 6.273) 15.542 14.340 ( 0.000 5.488 -5.162) 7.534 14.359 ( 0.000 -2.489 -3.469) 4.270 14.426 ( 0.000 3.232 -6.644) 7.389 14.647 ( 0.000 4.593 -11.134) 12.044 15.156 ( 0.000 -11.791 -23.042) 25.883 16.335 ( 0.000 -0.172 -9.885) 9.886 16.561 ( 0.000 -0.014 -3.563) 3.563 16.751 ( 0.000 -4.093 26.592) 26.905 16.949 ( 0.000 12.286 -12.772) 17.723 17.016 ( 0.000 -15.042 2.833) 15.306 17.955 ( 0.000 -0.185 -4.954) 4.957 18.065 ( 0.000 8.121 -26.864) 28.065 18.434 ( 0.000 5.011 -4.814) 6.949 18.995 ( 0.000 3.690 14.475) 14.938 19.382 ( 0.000 -9.912 16.255) 19.039 19.772 ( 0.000 -16.072 19.399) 25.192 20.486 ( 0.000 -9.364 23.264) 25.078 20.726 ( 0.000 4.075 7.855) 8.849 21.145 ( 0.000 -0.728 5.447) 5.495 21.639 ( 0.000 -0.044 -3.885) 3.885 22.572 ( 0.000 -18.182 -2.640) 18.373 23.703 ( 0.000 -11.245 6.002) 12.747 23.939 ( 0.000 -9.131 0.769) 9.164 24.086 ( 0.000 9.317 -10.529) 14.059 24.348 ( 0.000 -0.742 -3.940) 4.009 24.973 ( 0.000 11.686 1.272) 11.755 25.213 ( 0.000 -1.241 -1.246) 1.759 25.670 ( 0.000 -2.538 -7.971) 8.365 25.824 ( 0.000 -5.507 -2.654) 6.113 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 2.191 18.829 24.705) 31.140 1.919 ( 3.232 19.805 25.242) 32.246 2.100 ( -15.363 12.123 15.966) 25.257 2.424 ( -16.520 11.093 14.715) 24.748 2.775 ( 19.231 2.391 3.524) 19.697 3.092 ( 13.081 9.038 14.693) 21.649 3.346 ( 4.135 8.237 7.050) 11.604 3.506 ( -2.224 0.807 8.609) 8.929 3.711 ( -2.680 -6.827 -6.541) 9.827 3.720 ( -1.141 -5.652 -7.207) 9.230 3.759 ( -6.994 -3.813 4.430) 9.115 3.875 ( -7.352 0.865 -0.668) 7.433 4.015 ( 3.040 -7.500 2.583) 8.495 4.127 ( -0.710 0.107 2.495) 2.596 4.217 ( 7.510 4.750 -3.869) 9.692 4.336 ( 3.561 -0.592 8.039) 8.812 4.418 ( 3.196 -8.032 -5.815) 10.418 4.558 ( 1.730 3.635 -2.220) 4.597 4.897 ( -8.485 4.282 0.590) 9.523 4.977 ( -5.856 4.620 -8.258) 11.128 5.112 ( -1.994 4.434 -14.404) 15.202 5.141 ( -0.199 3.204 -18.003) 18.287 5.386 ( 0.688 12.715 -18.942) 22.824 5.512 ( 0.131 6.313 3.042) 7.009 5.683 ( 1.572 6.769 1.835) 7.188 5.817 ( -1.320 0.466 7.487) 7.617 5.928 ( 1.154 5.254 1.811) 5.676 5.977 ( 4.699 2.233 0.750) 5.256 6.021 ( -1.086 3.826 -1.722) 4.334 6.162 ( 1.840 3.175 1.464) 3.951 6.341 ( -0.767 2.637 5.329) 5.995 6.380 ( -3.770 -1.584 12.901) 13.534 6.568 ( 4.482 0.983 4.914) 6.723 6.703 ( -0.129 4.825 4.995) 6.946 6.731 ( -3.859 2.301 -1.870) 4.866 6.854 ( -5.626 -3.989 6.387) 9.400 6.929 ( 5.884 7.139 2.204) 9.510 7.192 ( 6.711 3.498 2.307) 7.911 7.257 ( 0.271 -7.612 -1.262) 7.721 7.355 ( -1.817 -2.114 -2.382) 3.667 7.396 ( 0.987 1.043 2.999) 3.325 7.497 ( 2.590 0.161 5.108) 5.729 7.555 ( -8.294 -9.856 2.708) 13.163 7.728 ( 0.364 -3.136 3.450) 4.676 7.849 ( -4.284 1.207 4.295) 6.185 7.904 ( 4.661 -2.607 7.862) 9.504 8.096 ( 0.356 2.865 -0.849) 3.009 8.250 ( -2.951 2.799 4.410) 6.000 8.297 ( 2.137 0.507 5.007) 5.468 8.520 ( -5.183 -8.129 13.032) 16.210 8.624 ( 6.005 5.203 -0.204) 7.948 8.796 ( -0.370 5.635 3.758) 6.783 8.927 ( 5.602 7.705 3.232) 10.059 9.082 ( 1.679 9.190 5.555) 10.869 9.105 ( 0.598 -4.329 7.047) 8.292 9.320 ( -6.476 0.948 7.118) 9.670 9.603 ( 4.009 5.371 -2.766) 7.251 9.674 ( 0.493 0.357 14.107) 14.121 9.950 ( -6.197 6.275 -0.301) 8.824 9.970 ( -4.300 -1.887 5.553) 7.272 10.267 ( 3.925 2.048 -11.294) 12.131 10.403 ( -3.247 6.736 -7.430) 10.542 10.596 ( 3.133 -3.505 -8.089) 9.355 10.663 ( 1.433 2.255 -4.888) 5.570 10.775 ( 6.179 0.135 -12.787) 14.203 11.100 ( -8.167 1.007 -8.059) 11.518 11.429 ( 6.264 -6.980 -4.976) 10.616 11.642 ( -3.967 -7.672 -8.339) 12.005 11.889 ( 0.438 -3.169 -0.640) 3.263 11.912 ( -0.638 2.388 -3.951) 4.661 12.618 ( 0.931 -10.199 2.234) 10.482 12.644 ( -0.353 -7.044 -3.970) 8.094 12.804 ( 1.500 -6.736 7.953) 10.530 12.891 ( -2.321 -8.162 3.080) 9.027 12.993 ( 0.608 1.174 -3.078) 3.350 13.017 ( -0.240 -1.351 -4.779) 4.972 13.488 ( 4.302 18.815 -3.262) 19.574 13.772 ( -8.869 17.134 -18.448) 26.694 14.224 ( 2.626 -6.943 1.806) 7.639 14.312 ( -2.173 2.526 -5.395) 6.341 14.380 ( 1.597 -1.822 -1.055) 2.643 14.428 ( -0.214 -0.656 -3.798) 3.860 14.740 ( 9.704 3.029 -15.228) 18.309 15.105 ( -6.146 -8.959 -23.019) 25.454 16.339 ( 0.574 -1.581 -5.437) 5.691 16.462 ( -7.213 -3.641 4.644) 9.320 16.821 ( 5.258 -1.332 18.162) 18.955 16.949 ( -0.380 10.187 -9.277) 13.783 17.117 ( 10.516 -11.380 -2.795) 15.745 17.689 ( -19.299 0.871 -15.676) 24.879 18.229 ( 8.639 6.514 -12.500) 16.532 18.411 ( -2.596 6.480 -6.022) 9.220 19.022 ( 3.759 2.852 16.724) 17.377 19.344 ( -7.551 -9.598 21.495) 24.722 19.723 ( 1.110 -6.560 15.404) 16.779 20.235 ( -22.190 0.731 14.836) 26.702 20.783 ( 9.762 -4.070 11.841) 15.877 21.129 ( -5.241 -2.400 7.709) 9.626 21.967 ( 27.370 -9.195 -6.058) 29.502 22.538 ( -4.604 -18.174 -3.592) 19.089 23.733 ( 3.326 -11.109 5.361) 12.775 23.901 ( -4.063 -9.098 0.933) 10.008 24.106 ( 2.372 8.346 -9.533) 12.891 24.288 ( -6.054 1.153 -5.070) 7.980 25.007 ( 3.540 10.138 0.877) 10.774 25.170 ( -4.291 1.715 -0.909) 4.710 25.709 ( 3.619 -3.917 -6.893) 8.715 25.812 ( -1.448 -5.494 -3.274) 6.557 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -6.412 17.687 24.511) 30.899 1.889 ( 6.412 17.687 24.511) 30.899 2.128 ( -15.546 14.931 17.854) 27.989 2.128 ( 15.546 14.931 17.854) 27.989 3.090 ( -14.922 0.269 2.366) 15.111 3.090 ( 14.922 0.269 2.366) 15.111 3.444 ( -13.304 2.272 8.517) 15.959 3.444 ( 13.304 2.272 8.517) 15.959 3.687 ( -3.003 -0.100 -2.670) 4.020 3.687 ( 3.003 -0.100 -2.670) 4.020 3.745 ( -6.107 -1.568 2.387) 6.742 3.745 ( 6.107 -1.568 2.387) 6.742 4.087 ( -3.700 -3.144 2.077) 5.281 4.087 ( 3.700 -3.144 2.077) 5.281 4.336 ( -5.063 0.653 -7.402) 8.991 4.336 ( 5.063 0.653 -7.402) 8.991 4.509 ( -8.026 1.573 12.215) 14.700 4.509 ( 8.026 1.573 12.215) 14.700 4.856 ( -5.578 2.445 -6.291) 8.756 4.856 ( 5.578 2.445 -6.291) 8.756 5.120 ( -1.854 3.449 -22.053) 22.398 5.120 ( 1.854 3.449 -22.053) 22.398 5.442 ( -5.484 12.087 -7.744) 15.367 5.442 ( 5.484 12.087 -7.744) 15.367 5.765 ( -4.970 0.147 6.509) 8.191 5.765 ( 4.970 0.147 6.509) 8.191 5.958 ( -2.633 3.594 -1.535) 4.712 5.958 ( 2.633 3.594 -1.535) 4.712 6.115 ( -6.963 2.069 -0.651) 7.293 6.115 ( 6.963 2.069 -0.651) 7.293 6.339 ( -3.011 2.787 9.972) 10.783 6.339 ( 3.011 2.787 9.972) 10.783 6.660 ( -4.619 5.626 3.907) 8.262 6.660 ( 4.619 5.626 3.907) 8.262 6.739 ( -5.012 -2.304 5.710) 7.939 6.739 ( 5.012 -2.304 5.710) 7.939 7.097 ( -11.081 2.237 0.907) 11.341 7.097 ( 11.081 2.237 0.907) 11.341 7.343 ( -6.275 1.300 1.673) 6.623 7.343 ( 6.275 1.300 1.673) 6.623 7.423 ( -6.451 -8.234 -0.188) 10.462 7.423 ( 6.451 -8.234 -0.188) 10.462 7.605 ( -9.154 -3.356 4.587) 10.775 7.605 ( 9.154 -3.356 4.587) 10.775 7.918 ( -5.288 1.013 7.440) 9.184 7.918 ( 5.288 1.013 7.440) 9.184 8.130 ( -5.619 5.806 -2.352) 8.415 8.130 ( 5.619 5.806 -2.352) 8.415 8.402 ( -6.943 -6.648 10.384) 14.151 8.402 ( 6.943 -6.648 10.384) 14.151 8.748 ( -5.776 3.995 2.860) 7.583 8.748 ( 5.776 3.995 2.860) 7.583 9.027 ( -5.232 7.466 4.681) 10.248 9.027 ( 5.232 7.466 4.681) 10.248 9.194 ( -6.889 0.378 7.247) 10.006 9.194 ( 6.889 0.378 7.247) 10.006 9.669 ( -2.110 3.022 4.104) 5.516 9.669 ( 2.110 3.022 4.104) 5.516 9.901 ( -1.573 1.064 3.764) 4.216 9.901 ( 1.573 1.064 3.764) 4.216 10.334 ( -4.090 4.144 -9.949) 11.528 10.334 ( 4.090 4.144 -9.949) 11.528 10.651 ( -2.440 -0.918 -7.549) 7.987 10.651 ( 2.440 -0.918 -7.549) 7.987 10.933 ( -10.275 2.436 -8.069) 13.290 10.933 ( 10.275 2.436 -8.069) 13.290 11.546 ( -6.559 -6.945 -5.791) 11.171 11.546 ( 6.559 -6.945 -5.791) 11.171 11.899 ( -0.726 -1.359 -3.249) 3.595 11.899 ( 0.726 -1.359 -3.249) 3.595 12.634 ( -0.762 -8.081 -0.869) 8.163 12.634 ( 0.762 -8.081 -0.869) 8.163 12.844 ( -2.807 -7.586 5.302) 9.671 12.844 ( 2.807 -7.586 5.302) 9.671 13.007 ( -0.863 0.412 -4.421) 4.524 13.007 ( 0.863 0.412 -4.421) 4.524 13.605 ( -8.841 16.937 -8.995) 21.117 13.605 ( 8.841 16.937 -8.995) 21.117 14.270 ( -2.497 1.305 -3.865) 4.783 14.270 ( 2.497 1.305 -3.865) 4.783 14.411 ( -1.627 -3.978 -0.479) 4.324 14.411 ( 1.627 -3.978 -0.479) 4.324 14.942 ( -11.788 -2.728 -20.279) 23.614 14.942 ( 11.788 -2.728 -20.279) 23.614 16.368 ( -3.269 -3.980 2.784) 5.855 16.368 ( 3.269 -3.980 2.784) 5.855 16.909 ( -4.257 2.745 5.820) 7.715 16.909 ( 4.257 2.745 5.820) 7.715 17.361 ( -16.945 -3.057 -12.993) 21.570 17.361 ( 16.945 -3.057 -12.993) 21.570 18.344 ( -4.993 7.632 -7.391) 11.739 18.344 ( 4.993 7.632 -7.391) 11.739 19.150 ( -10.815 -1.216 20.933) 23.593 19.150 ( 10.815 -1.216 20.933) 23.593 19.890 ( -15.883 -1.322 12.645) 20.345 19.890 ( 15.883 -1.322 12.645) 20.345 20.979 ( -10.901 -4.256 9.934) 15.350 20.979 ( 10.901 -4.256 9.934) 15.350 22.367 ( -16.180 -16.649 -5.838) 23.939 22.367 ( 16.180 -16.649 -5.838) 23.939 23.813 ( -5.391 -10.260 3.093) 11.996 23.813 ( 5.391 -10.260 3.093) 11.996 24.176 ( -5.656 5.475 -7.577) 10.926 24.176 ( 5.656 5.475 -7.577) 10.926 25.085 ( -5.003 6.454 0.011) 8.166 25.085 ( 5.003 6.454 0.011) 8.166 25.772 ( -3.128 -5.204 -4.901) 7.803 25.772 ( 3.128 -5.204 -4.901) 7.803 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 19.711 13.722) 24.017 2.359 ( 0.000 20.099 22.683) 30.307 2.543 ( 0.000 11.256 11.787) 16.298 2.637 ( 0.000 11.832 13.735) 18.129 2.850 ( 0.000 11.643 7.381) 13.785 3.049 ( 0.000 5.400 1.203) 5.532 3.443 ( 0.000 -13.508 0.397) 13.514 3.468 ( 0.000 -2.443 4.374) 5.010 3.558 ( 0.000 -11.955 8.267) 14.535 3.617 ( 0.000 -4.084 -11.822) 12.508 3.789 ( 0.000 -8.588 3.366) 9.224 3.839 ( 0.000 10.476 4.517) 11.409 3.960 ( 0.000 -0.772 -1.220) 1.444 4.058 ( 0.000 2.415 7.009) 7.413 4.152 ( 0.000 -2.045 0.470) 2.098 4.299 ( 0.000 -0.666 -3.712) 3.772 4.395 ( 0.000 0.413 -2.345) 2.381 4.695 ( 0.000 16.075 1.776) 16.172 4.875 ( 0.000 -7.896 -8.144) 11.343 5.184 ( 0.000 1.322 -7.697) 7.810 5.218 ( 0.000 1.868 -18.494) 18.588 5.281 ( 0.000 10.623 -6.376) 12.389 5.475 ( 0.000 5.946 -9.531) 11.233 5.700 ( 0.000 8.768 -6.450) 10.885 5.749 ( 0.000 -2.135 -5.951) 6.322 5.821 ( 0.000 -0.388 7.676) 7.686 5.984 ( 0.000 -2.532 0.058) 2.533 6.002 ( 0.000 3.437 -4.038) 5.302 6.101 ( 0.000 1.733 -3.600) 3.995 6.241 ( 0.000 8.877 9.262) 12.829 6.359 ( 0.000 2.905 16.519) 16.772 6.428 ( 0.000 -2.835 -1.985) 3.461 6.451 ( 0.000 -5.689 -1.123) 5.798 6.692 ( 0.000 -2.495 7.829) 8.217 6.816 ( 0.000 5.306 4.005) 6.648 6.949 ( 0.000 2.600 1.130) 2.835 7.008 ( 0.000 1.965 -0.356) 1.997 7.191 ( 0.000 2.921 0.721) 3.008 7.239 ( 0.000 7.772 3.955) 8.720 7.320 ( 0.000 -1.156 12.237) 12.291 7.383 ( 0.000 -1.696 -3.370) 3.773 7.434 ( 0.000 -4.117 3.925) 5.688 7.615 ( 0.000 -1.220 6.923) 7.029 7.623 ( 0.000 1.453 7.232) 7.377 7.798 ( 0.000 -1.746 6.865) 7.083 7.972 ( 0.000 0.420 0.424) 0.597 8.024 ( 0.000 -3.320 9.485) 10.050 8.210 ( 0.000 2.575 -7.757) 8.174 8.382 ( 0.000 -3.471 22.723) 22.987 8.528 ( 0.000 6.612 12.004) 13.705 8.729 ( 0.000 5.409 -4.834) 7.254 8.825 ( 0.000 -1.201 3.624) 3.818 8.983 ( 0.000 -2.274 7.481) 7.819 8.999 ( 0.000 4.003 4.500) 6.023 9.277 ( 0.000 10.848 10.383) 15.017 9.436 ( 0.000 4.368 6.403) 7.751 9.681 ( 0.000 0.560 19.895) 19.903 9.712 ( 0.000 6.249 -6.531) 9.039 9.954 ( 0.000 -1.342 7.569) 7.687 10.119 ( 0.000 0.054 -3.592) 3.592 10.224 ( 0.000 -0.002 -17.404) 17.404 10.382 ( 0.000 -10.403 -8.223) 13.261 10.620 ( 0.000 9.691 -7.034) 11.974 10.713 ( 0.000 1.819 -14.022) 14.140 10.784 ( 0.000 7.498 -4.310) 8.648 11.167 ( 0.000 -2.595 -9.893) 10.228 11.275 ( 0.000 -0.811 -6.518) 6.569 11.516 ( 0.000 -7.401 -12.158) 14.234 11.877 ( 0.000 1.327 -0.102) 1.331 12.017 ( 0.000 5.101 -4.124) 6.560 12.350 ( 0.000 -14.385 5.135) 15.274 12.479 ( 0.000 -10.078 -0.545) 10.093 12.673 ( 0.000 -3.866 9.981) 10.703 12.798 ( 0.000 -2.544 3.244) 4.122 12.959 ( 0.000 -4.554 0.859) 4.635 12.984 ( 0.000 -1.848 1.042) 2.121 13.701 ( 0.000 5.841 -2.112) 6.211 13.920 ( 0.000 -12.805 3.883) 13.381 14.211 ( 0.000 15.672 -25.500) 29.930 14.347 ( 0.000 1.168 -9.234) 9.308 14.428 ( 0.000 4.046 -12.313) 12.960 14.501 ( 0.000 4.967 -8.379) 9.740 14.723 ( 0.000 2.499 -14.778) 14.988 14.909 ( 0.000 -12.813 -23.493) 26.760 16.341 ( 0.000 1.075 -3.129) 3.308 16.574 ( 0.000 1.257 -0.220) 1.276 16.648 ( 0.000 -6.777 17.540) 18.804 16.780 ( 0.000 -8.924 3.600) 9.623 17.208 ( 0.000 14.121 -14.246) 20.059 17.889 ( 0.000 -6.427 -9.543) 11.506 18.232 ( 0.000 8.613 -25.260) 26.688 18.471 ( 0.000 -0.305 -7.083) 7.089 19.138 ( 0.000 8.490 24.329) 25.768 19.217 ( 0.000 -6.540 20.425) 21.447 19.544 ( 0.000 -6.181 18.421) 19.431 20.226 ( 0.000 -15.595 25.728) 30.085 20.849 ( 0.000 6.967 4.590) 8.343 21.126 ( 0.000 -1.734 5.140) 5.424 21.677 ( 0.000 3.907 -2.596) 4.691 22.247 ( 0.000 -15.348 -1.401) 15.412 23.519 ( 0.000 -6.913 7.131) 9.931 23.689 ( 0.000 -12.780 5.788) 14.029 24.235 ( 0.000 5.778 -9.497) 11.117 24.379 ( 0.000 1.044 -9.549) 9.606 25.164 ( 0.000 7.755 0.212) 7.758 25.209 ( 0.000 1.025 0.187) 1.041 25.615 ( 0.000 -2.863 -7.310) 7.851 25.717 ( 0.000 -5.307 -3.484) 6.348 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 5.333 19.527 13.274) 24.207 2.325 ( -2.321 20.901 22.518) 30.810 2.400 ( -7.400 18.372 17.077) 26.152 2.664 ( -13.836 12.653 6.987) 20.009 2.833 ( 13.678 4.335 10.341) 17.687 3.189 ( 5.089 0.533 6.158) 8.007 3.368 ( -3.377 -4.677 -0.340) 5.779 3.483 ( -0.187 -7.580 4.657) 8.899 3.514 ( -0.193 -7.995 -3.630) 8.783 3.616 ( -3.828 -5.492 -8.511) 10.829 3.828 ( 4.317 -10.797 8.326) 14.301 3.850 ( 0.095 7.117 4.665) 8.510 3.943 ( 0.008 5.294 -0.493) 5.316 4.071 ( -1.319 0.051 7.902) 8.011 4.183 ( 4.233 -3.462 -6.958) 8.850 4.303 ( -0.438 -2.684 -6.680) 7.212 4.451 ( 6.480 1.908 1.270) 6.873 4.692 ( -1.361 8.581 1.513) 8.819 4.878 ( 1.082 0.017 -1.940) 2.221 5.104 ( -7.167 3.916 -6.602) 10.501 5.191 ( -1.549 3.594 -18.776) 19.180 5.266 ( -2.313 11.080 -5.966) 12.795 5.553 ( 6.624 4.122 -10.751) 13.283 5.647 ( -1.774 6.538 -4.057) 7.896 5.773 ( -0.829 -1.964 0.361) 2.162 5.799 ( -3.783 3.565 -0.607) 5.234 5.928 ( -0.988 -2.460 -6.871) 7.364 6.016 ( -1.436 0.015 -4.516) 4.739 6.119 ( 3.274 3.370 -0.239) 4.704 6.260 ( 0.311 6.263 5.427) 8.293 6.363 ( -2.659 -1.928 6.212) 7.026 6.379 ( 0.660 1.126 12.204) 12.273 6.548 ( 7.943 -2.939 2.856) 8.938 6.689 ( -0.079 -2.343 5.657) 6.123 6.807 ( -2.079 5.013 3.444) 6.427 6.887 ( -5.359 5.042 4.188) 8.466 7.026 ( 2.646 0.344 -3.142) 4.123 7.183 ( -0.231 1.060 5.265) 5.376 7.290 ( -2.284 3.118 2.896) 4.830 7.319 ( 1.743 -0.075 0.792) 1.916 7.369 ( 1.002 -2.954 2.672) 4.107 7.400 ( -1.782 -3.659 4.834) 6.319 7.542 ( -2.573 2.776 7.240) 8.170 7.687 ( 1.938 -0.206 3.420) 3.937 7.862 ( 1.688 0.219 5.504) 5.762 7.905 ( -0.346 2.101 9.504) 9.740 8.104 ( 9.586 -3.407 6.421) 12.030 8.252 ( 0.088 3.787 -4.356) 5.772 8.362 ( -3.458 -3.771 15.555) 16.375 8.455 ( -7.375 5.754 10.900) 14.364 8.699 ( 1.036 2.306 -0.774) 2.644 8.828 ( -0.481 -0.631 4.614) 4.682 9.032 ( 4.656 1.668 7.476) 8.963 9.058 ( 3.932 0.852 5.674) 6.956 9.277 ( 0.301 10.368 8.305) 13.288 9.394 ( -4.493 5.693 5.568) 9.144 9.658 ( -0.360 1.320 14.577) 14.642 9.725 ( -0.390 1.784 3.029) 3.537 9.943 ( -0.433 1.773 4.281) 4.654 10.048 ( -5.394 3.154 -6.060) 8.704 10.265 ( 2.438 -2.765 -14.773) 15.226 10.347 ( -2.900 -9.063 -11.347) 14.808 10.654 ( 3.330 7.236 -7.753) 11.116 10.758 ( -0.076 6.634 -9.338) 11.454 10.824 ( 7.765 3.600 -6.054) 10.484 11.104 ( -5.740 -0.518 -8.747) 10.475 11.331 ( 4.954 -2.959 -6.520) 8.706 11.507 ( -1.898 -6.014 -9.914) 11.750 11.865 ( -0.452 0.089 -2.528) 2.570 11.967 ( -4.537 2.364 -4.184) 6.609 12.390 ( 3.613 -12.093 4.285) 13.328 12.475 ( -0.627 -9.958 0.665) 10.000 12.689 ( 1.704 -3.509 8.793) 9.619 12.775 ( -2.291 -2.617 3.935) 5.252 12.970 ( 0.998 -3.901 0.579) 4.069 12.987 ( 0.212 -2.160 0.855) 2.332 13.706 ( 1.854 3.682 -2.854) 5.014 13.915 ( -3.934 -6.474 -3.267) 8.250 14.199 ( 2.336 10.211 -15.822) 18.975 14.365 ( 1.600 1.736 -8.608) 8.926 14.386 ( -4.026 3.412 -11.319) 12.489 14.468 ( -3.297 3.446 -6.985) 8.458 14.793 ( 6.545 1.887 -19.173) 20.347 14.931 ( 1.075 -8.110 -25.493) 26.774 16.306 ( -2.899 -1.485 1.102) 3.438 16.391 ( -9.961 -3.626 7.938) 13.243 16.789 ( 7.302 -1.665 11.036) 13.338 16.885 ( 7.847 -7.958 5.371) 12.400 17.221 ( 3.256 12.831 -17.647) 22.060 17.699 ( -16.956 -0.778 -15.249) 22.817 18.325 ( 7.004 3.926 -18.221) 19.912 18.471 ( -0.621 0.309 -10.791) 10.813 19.125 ( -0.759 5.810 25.954) 26.607 19.189 ( -2.937 -6.020 23.942) 24.861 19.632 ( 10.270 -1.161 15.673) 18.774 20.159 ( -10.678 -8.521 22.842) 26.616 20.774 ( -0.267 3.085 4.873) 5.773 21.069 ( -7.545 -3.791 6.590) 10.711 21.866 ( 16.457 -1.768 -2.834) 16.792 22.229 ( -2.750 -13.712 -1.751) 14.094 23.540 ( 2.318 -7.629 7.071) 10.657 23.661 ( -2.986 -11.838 6.092) 13.644 24.246 ( 1.327 5.328 -9.496) 10.970 24.347 ( -3.268 2.122 -9.560) 10.324 25.171 ( 0.848 6.791 0.121) 6.845 25.204 ( -0.555 2.202 0.037) 2.272 25.634 ( 2.048 -3.517 -6.701) 7.840 25.707 ( -1.202 -5.098 -4.043) 6.616 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -2.306 22.189 20.473) 30.279 2.285 ( 2.306 22.189 20.473) 30.279 2.437 ( -10.873 16.065 10.992) 22.297 2.437 ( 10.873 16.065 10.992) 22.297 3.069 ( -12.579 -1.990 9.120) 15.664 3.069 ( 12.579 -1.990 9.120) 15.664 3.444 ( -5.302 -4.899 -0.297) 7.225 3.444 ( 5.302 -4.899 -0.297) 7.225 3.540 ( -3.580 -5.598 -5.993) 8.949 3.540 ( 3.580 -5.598 -5.993) 8.949 3.851 ( -0.384 0.231 5.626) 5.644 3.851 ( 0.384 0.231 5.626) 5.644 4.007 ( -5.218 0.283 4.429) 6.850 4.007 ( 5.218 0.283 4.429) 6.850 4.263 ( -3.912 -3.676 -9.581) 10.983 4.263 ( 3.912 -3.676 -9.581) 10.983 4.598 ( -8.635 0.402 2.687) 9.052 4.598 ( 8.635 0.402 2.687) 9.052 4.962 ( -7.990 8.972 0.794) 12.040 4.962 ( 7.990 8.972 0.794) 12.040 5.208 ( -3.210 6.816 -14.756) 16.567 5.208 ( 3.210 6.816 -14.756) 16.567 5.644 ( -2.508 7.112 -7.336) 10.521 5.644 ( 2.508 7.112 -7.336) 10.521 5.737 ( -0.872 -1.422 -0.227) 1.683 5.737 ( 0.872 -1.422 -0.227) 1.683 5.964 ( -3.414 -1.887 -8.327) 9.195 5.964 ( 3.414 -1.887 -8.327) 9.195 6.202 ( -5.295 4.869 1.178) 7.289 6.202 ( 5.295 4.869 1.178) 7.289 6.370 ( -1.842 -0.509 12.287) 12.435 6.370 ( 1.842 -0.509 12.287) 12.435 6.674 ( -3.729 -3.077 6.187) 7.852 6.674 ( 3.729 -3.077 6.187) 7.852 6.789 ( -3.133 6.869 2.302) 7.893 6.789 ( 3.133 6.869 2.302) 7.893 7.123 ( -7.044 -0.918 -0.760) 7.144 7.123 ( 7.044 -0.918 -0.760) 7.144 7.269 ( -3.682 -3.848 2.140) 5.740 7.269 ( 3.682 -3.848 2.140) 5.740 7.409 ( -2.135 1.721 5.210) 5.887 7.409 ( 2.135 1.721 5.210) 5.887 7.594 ( -8.160 2.275 4.391) 9.542 7.594 ( 8.160 2.275 4.391) 9.542 7.924 ( -4.036 0.714 8.753) 9.665 7.924 ( 4.036 0.714 8.753) 9.665 8.250 ( -0.603 0.991 0.912) 1.476 8.250 ( 0.603 0.991 0.912) 1.476 8.306 ( -5.788 1.141 10.703) 12.221 8.306 ( 5.788 1.141 10.703) 12.221 8.780 ( -5.233 0.070 3.781) 6.456 8.780 ( 5.233 0.070 3.781) 6.456 9.090 ( -0.810 1.046 8.683) 8.783 9.090 ( 0.810 1.046 8.683) 8.783 9.309 ( -3.918 8.701 4.450) 10.529 9.309 ( 3.918 8.701 4.450) 10.529 9.687 ( -3.048 -0.510 11.779) 12.178 9.687 ( 3.048 -0.510 11.779) 12.178 9.968 ( -3.356 4.936 -3.338) 6.839 9.968 ( 3.356 4.936 -3.338) 6.839 10.302 ( -2.179 -6.118 -14.189) 15.605 10.302 ( 2.179 -6.118 -14.189) 15.605 10.719 ( -3.525 6.391 -7.374) 10.376 10.719 ( 3.525 6.391 -7.374) 10.376 10.980 ( -8.403 2.428 -7.455) 11.493 10.980 ( 8.403 2.428 -7.455) 11.493 11.432 ( -6.021 -4.855 -6.708) 10.238 11.432 ( 6.021 -4.855 -6.708) 10.238 11.892 ( -3.460 -0.109 -4.898) 5.998 11.892 ( 3.460 -0.109 -4.898) 5.998 12.448 ( -2.576 -10.345 2.793) 11.020 12.448 ( 2.576 -10.345 2.793) 11.020 12.729 ( -2.719 -2.857 6.077) 7.244 12.729 ( 2.719 -2.857 6.077) 7.244 12.985 ( -0.548 -2.892 0.504) 2.986 12.985 ( 0.548 -2.892 0.504) 2.986 13.791 ( -7.524 1.101 -5.871) 9.607 13.791 ( 7.524 1.101 -5.871) 9.607 14.296 ( -6.310 3.807 -10.411) 12.755 14.296 ( 6.310 3.807 -10.411) 12.755 14.406 ( -3.186 2.107 -6.496) 7.536 14.406 ( 3.186 2.107 -6.496) 7.536 14.902 ( -4.664 -1.424 -24.826) 25.301 14.902 ( 4.664 -1.424 -24.826) 25.301 16.286 ( -1.838 -4.106 7.184) 8.476 16.286 ( 1.838 -4.106 7.184) 8.476 16.905 ( -4.778 -2.328 9.119) 10.555 16.905 ( 4.778 -2.328 9.119) 10.555 17.396 ( -15.734 5.091 -18.989) 25.180 17.396 ( 15.734 5.091 -18.989) 25.180 18.428 ( -4.390 1.552 -14.419) 15.152 18.428 ( 4.390 1.552 -14.419) 15.152 19.137 ( -2.275 -0.289 26.358) 26.457 19.137 ( 2.275 -0.289 26.358) 26.457 19.884 ( -17.213 0.564 16.817) 24.071 19.884 ( 17.213 0.564 16.817) 24.071 20.893 ( -10.845 -4.160 7.184) 13.658 20.893 ( 10.845 -4.160 7.184) 13.658 22.118 ( -10.619 -9.254 -2.547) 14.314 22.118 ( 10.619 -9.254 -2.547) 14.314 23.596 ( -3.887 -9.613 6.717) 12.355 23.596 ( 3.887 -9.613 6.717) 12.355 24.286 ( -3.146 4.033 -9.545) 10.829 24.286 ( 3.146 4.033 -9.545) 10.829 25.190 ( -1.071 4.595 -0.033) 4.718 25.190 ( 1.071 4.595 -0.033) 4.718 25.676 ( -2.309 -4.509 -5.350) 7.368 25.676 ( 2.309 -4.509 -5.350) 7.368 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 0.000 14.334 8.499) 16.664 2.632 ( 0.000 5.199 13.461) 14.430 2.797 ( 0.000 13.293 13.419) 18.888 2.894 ( 0.000 12.357 12.420) 17.521 2.996 ( 0.000 1.200 9.496) 9.572 3.134 ( 0.000 1.242 1.996) 2.351 3.197 ( 0.000 -8.403 4.645) 9.601 3.305 ( 0.000 -9.457 0.825) 9.493 3.391 ( 0.000 -3.133 -1.463) 3.457 3.477 ( 0.000 -8.748 -9.158) 12.664 3.691 ( 0.000 -0.007 5.167) 5.167 3.791 ( 0.000 -8.408 7.985) 11.596 4.034 ( 0.000 7.122 -1.485) 7.275 4.164 ( 0.000 -2.027 -3.537) 4.077 4.226 ( 0.000 2.432 -6.028) 6.501 4.339 ( 0.000 -5.683 -2.110) 6.062 4.366 ( 0.000 17.190 6.867) 18.510 4.672 ( 0.000 -13.267 -1.656) 13.370 5.070 ( 0.000 19.128 1.399) 19.179 5.214 ( 0.000 2.323 -11.122) 11.362 5.223 ( 0.000 -1.171 -21.803) 21.835 5.362 ( 0.000 -4.968 0.449) 4.988 5.603 ( 0.000 4.778 -1.951) 5.161 5.677 ( 0.000 -4.267 -7.397) 8.539 5.741 ( 0.000 3.875 -6.534) 7.596 5.884 ( 0.000 -7.331 -3.424) 8.091 5.935 ( 0.000 7.996 -3.082) 8.569 6.060 ( 0.000 -4.628 -5.404) 7.115 6.100 ( 0.000 6.775 -1.578) 6.957 6.258 ( 0.000 -8.775 0.497) 8.790 6.315 ( 0.000 0.187 4.232) 4.236 6.345 ( 0.000 -3.777 -0.238) 3.784 6.544 ( 0.000 8.286 13.440) 15.789 6.649 ( 0.000 -3.036 12.768) 13.124 6.922 ( 0.000 5.337 -1.633) 5.581 6.979 ( 0.000 -0.188 -4.614) 4.618 7.045 ( 0.000 2.557 6.045) 6.563 7.130 ( 0.000 -5.779 9.749) 11.333 7.357 ( 0.000 -0.012 1.433) 1.433 7.370 ( 0.000 0.896 5.415) 5.489 7.376 ( 0.000 3.146 6.000) 6.775 7.384 ( 0.000 1.190 1.990) 2.319 7.646 ( 0.000 2.837 8.530) 8.989 7.667 ( 0.000 1.756 7.949) 8.140 7.782 ( 0.000 1.337 9.736) 9.827 7.873 ( 0.000 -6.468 7.498) 9.902 8.070 ( 0.000 3.936 2.116) 4.468 8.155 ( 0.000 -4.905 0.344) 4.917 8.463 ( 0.000 7.330 14.768) 16.487 8.570 ( 0.000 -2.510 14.863) 15.074 8.798 ( 0.000 1.724 -2.647) 3.159 8.808 ( 0.000 -0.074 -0.830) 0.833 8.978 ( 0.000 1.564 8.651) 8.791 9.018 ( 0.000 -1.483 6.928) 7.085 9.479 ( 0.000 9.310 14.262) 17.032 9.550 ( 0.000 6.247 8.546) 10.586 9.647 ( 0.000 -3.128 12.430) 12.818 9.730 ( 0.000 -5.408 -0.057) 5.409 10.018 ( 0.000 7.229 3.836) 8.184 10.112 ( 0.000 1.515 -17.212) 17.278 10.188 ( 0.000 -3.554 -16.815) 17.186 10.194 ( 0.000 -8.925 0.035) 8.925 10.757 ( 0.000 3.618 -5.277) 6.398 10.764 ( 0.000 2.224 -9.304) 9.567 10.933 ( 0.000 8.159 -10.611) 13.385 11.080 ( 0.000 -6.406 -11.478) 13.144 11.314 ( 0.000 3.797 -10.020) 10.715 11.398 ( 0.000 -4.957 -11.975) 12.961 11.931 ( 0.000 4.894 2.466) 5.480 12.090 ( 0.000 -11.552 5.051) 12.608 12.122 ( 0.000 6.384 -1.172) 6.490 12.280 ( 0.000 -9.813 0.786) 9.845 12.684 ( 0.000 4.961 7.415) 8.922 12.822 ( 0.000 4.337 3.871) 5.814 12.826 ( 0.000 -8.319 4.605) 9.509 12.921 ( 0.000 -4.743 3.494) 5.891 13.732 ( 0.000 -0.710 -0.297) 0.769 13.750 ( 0.000 -4.219 1.421) 4.452 14.384 ( 0.000 1.859 -11.624) 11.772 14.387 ( 0.000 2.770 -15.230) 15.480 14.524 ( 0.000 6.327 -21.889) 22.785 14.632 ( 0.000 7.620 -14.830) 16.673 14.674 ( 0.000 -8.933 -23.207) 24.867 14.739 ( 0.000 -3.319 -17.842) 18.148 16.389 ( 0.000 4.175 2.837) 5.047 16.502 ( 0.000 -7.294 8.456) 11.167 16.607 ( 0.000 2.214 3.667) 4.284 16.664 ( 0.000 -3.914 5.783) 6.983 17.479 ( 0.000 13.519 -14.347) 19.713 17.718 ( 0.000 -10.904 -12.802) 16.817 18.375 ( 0.000 5.657 -20.607) 21.370 18.447 ( 0.000 -2.162 -12.393) 12.581 19.148 ( 0.000 -0.355 22.427) 22.430 19.186 ( 0.000 -2.775 22.675) 22.844 19.620 ( 0.000 12.692 22.301) 25.660 19.914 ( 0.000 -16.323 24.936) 29.804 20.974 ( 0.000 5.819 4.515) 7.365 21.070 ( 0.000 -4.013 4.853) 6.297 21.791 ( 0.000 7.890 -1.354) 8.005 21.982 ( 0.000 -11.904 -0.911) 11.939 23.446 ( 0.000 -0.550 7.393) 7.413 23.501 ( 0.000 -6.303 7.073) 9.474 24.320 ( 0.000 3.265 -8.765) 9.353 24.369 ( 0.000 -1.791 -9.151) 9.324 25.246 ( 0.000 2.209 -0.099) 2.211 25.259 ( 0.000 1.813 0.155) 1.819 25.582 ( 0.000 0.164 -6.775) 6.777 25.626 ( 0.000 -3.917 -5.024) 6.371 ======================= Grid point 111 (44/90) ======================= q-point: ( 0.25 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 4.549 12.479 8.477) 15.757 2.647 ( 1.713 9.779 13.565) 16.810 2.744 ( -4.256 13.217 13.003) 19.023 2.878 ( -8.765 8.452 4.856) 13.108 2.957 ( 3.806 8.687 13.301) 16.335 3.106 ( -3.207 -6.817 11.265) 13.552 3.204 ( 1.130 -9.220 3.559) 9.947 3.293 ( -2.057 -10.378 1.088) 10.636 3.471 ( 6.747 0.457 -6.403) 9.313 3.505 ( 2.475 -5.065 -8.499) 10.198 3.671 ( -1.323 -1.766 6.413) 6.782 3.766 ( -2.832 -9.147 6.568) 11.612 4.052 ( 2.094 5.526 -1.611) 6.125 4.163 ( -2.082 -2.505 -5.624) 6.499 4.220 ( 1.805 5.866 -1.620) 6.348 4.344 ( -1.683 11.151 6.207) 12.873 4.396 ( 4.701 -4.465 -3.948) 7.591 4.616 ( -5.623 -11.164 -2.260) 12.703 5.081 ( 0.430 9.943 -8.039) 12.794 5.146 ( -4.206 1.035 -17.094) 17.634 5.278 ( 5.716 8.014 -5.054) 11.065 5.430 ( 4.100 0.011 6.915) 8.039 5.609 ( 0.063 2.332 0.982) 2.531 5.674 ( 1.543 -1.280 -11.587) 11.759 5.733 ( -1.093 1.673 -6.618) 6.913 5.850 ( -3.714 -5.545 -6.530) 9.337 5.921 ( -1.864 5.397 -7.989) 9.820 6.002 ( -4.884 -1.278 -7.977) 9.441 6.155 ( 5.415 1.900 2.909) 6.434 6.259 ( -0.320 -6.302 3.894) 7.415 6.315 ( 1.258 -0.267 5.849) 5.989 6.375 ( -0.017 -1.035 0.537) 1.166 6.541 ( 3.104 1.034 11.471) 11.928 6.680 ( 0.854 0.667 10.212) 10.269 6.888 ( -2.002 3.242 -2.538) 4.579 6.973 ( 0.609 1.714 1.249) 2.207 7.035 ( -2.270 2.700 4.773) 5.935 7.148 ( -0.181 -4.019 7.660) 8.652 7.251 ( -7.497 -2.307 -4.086) 8.844 7.303 ( -6.400 -1.668 5.831) 8.817 7.412 ( 3.079 2.892 6.103) 7.422 7.420 ( 3.587 2.872 4.037) 6.116 7.596 ( -1.201 2.148 8.459) 8.810 7.688 ( 2.061 -0.236 4.731) 5.165 7.893 ( 2.390 2.813 9.332) 10.035 7.935 ( 0.506 0.335 8.891) 8.912 8.027 ( 11.457 -3.282 8.768) 14.796 8.257 ( 1.818 -1.429 -2.601) 3.481 8.403 ( -5.431 4.573 13.473) 15.229 8.520 ( -6.173 0.574 12.559) 14.006 8.712 ( -0.752 -0.443 0.652) 1.090 8.827 ( -1.203 0.700 -0.194) 1.405 9.046 ( 5.186 0.575 8.160) 9.685 9.070 ( 3.574 -0.329 8.405) 9.139 9.471 ( -0.578 9.021 11.849) 14.904 9.523 ( -2.686 6.714 7.185) 10.194 9.635 ( -0.705 -3.517 13.347) 13.821 9.699 ( -3.004 -4.665 2.090) 5.929 10.031 ( 1.344 6.116 0.690) 6.300 10.092 ( -1.879 2.297 -13.344) 13.670 10.169 ( -0.351 -6.913 -8.447) 10.921 10.201 ( -0.743 -4.466 -11.311) 12.184 10.760 ( 2.339 3.070 -8.970) 9.765 10.873 ( 7.936 1.385 -5.308) 9.648 10.895 ( -2.589 5.829 -11.989) 13.580 11.074 ( -0.991 -2.384 -10.088) 10.413 11.314 ( 0.816 0.654 -9.131) 9.191 11.418 ( -0.018 -2.933 -10.323) 10.732 11.883 ( -3.241 1.775 -0.456) 3.723 11.980 ( -6.178 -1.405 1.043) 6.421 12.221 ( 4.916 -3.027 3.417) 6.708 12.289 ( 0.467 -8.136 2.217) 8.446 12.704 ( 2.145 4.762 6.315) 8.195 12.794 ( -1.959 2.489 3.832) 4.972 12.858 ( 2.111 -5.572 4.408) 7.412 12.916 ( -0.702 -5.139 3.512) 6.264 13.695 ( 0.174 -1.966 -0.713) 2.098 13.801 ( 0.376 -3.178 -2.099) 3.827 14.346 ( -0.720 3.072 -12.788) 13.172 14.407 ( 0.801 1.823 -11.506) 11.677 14.471 ( -4.315 4.596 -15.991) 17.189 14.521 ( -5.908 0.591 -11.633) 13.061 14.788 ( 7.322 -1.595 -25.318) 26.404 14.840 ( 6.554 -1.155 -26.108) 26.943 16.295 ( -7.082 0.559 5.488) 8.977 16.328 ( -10.134 -2.726 7.873) 13.120 16.764 ( 8.032 -0.852 7.612) 11.098 16.780 ( 9.831 -2.640 7.644) 12.730 17.458 ( -1.411 11.137 -16.604) 20.043 17.632 ( -8.570 -6.413 -15.468) 18.810 18.393 ( 1.977 3.117 -18.743) 19.103 18.451 ( -0.055 -1.874 -16.058) 16.167 19.101 ( -0.935 -2.155 28.344) 28.441 19.198 ( -2.112 1.001 22.048) 22.172 19.715 ( 10.056 8.870 20.719) 24.679 19.950 ( 1.991 -11.689 23.297) 26.141 20.865 ( -7.814 5.304 3.715) 10.148 20.984 ( -9.098 -4.816 5.372) 11.611 21.884 ( 8.244 3.428 -1.423) 9.041 22.012 ( 1.944 -8.581 -0.808) 8.835 23.452 ( 0.662 -1.396 7.438) 7.596 23.492 ( -1.009 -5.361 7.270) 9.089 24.319 ( 0.102 2.459 -8.747) 9.087 24.356 ( -1.368 -0.791 -8.990) 9.127 25.250 ( 0.416 2.090 -0.048) 2.132 25.261 ( 0.082 2.057 0.192) 2.067 25.588 ( 0.781 -0.821 -6.671) 6.767 25.624 ( -0.424 -3.152 -5.508) 6.360 ======================= Grid point 112 (45/90) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -4.425 10.559 12.380) 16.862 2.649 ( 4.425 10.559 12.380) 16.862 2.729 ( -6.117 14.263 7.375) 17.183 2.729 ( 6.117 14.263 7.375) 17.183 3.035 ( -4.513 -1.019 13.113) 13.905 3.035 ( 4.513 -1.019 13.113) 13.905 3.243 ( -3.088 -11.023 3.339) 11.925 3.243 ( 3.088 -11.023 3.339) 11.925 3.535 ( -0.551 1.597 -9.631) 9.778 3.535 ( 0.551 1.597 -9.631) 9.778 3.697 ( -4.288 -8.526 7.079) 11.883 3.697 ( 4.288 -8.526 7.079) 11.883 4.104 ( -3.609 2.418 -3.334) 5.476 4.104 ( 3.609 2.418 -3.334) 5.476 4.285 ( -4.365 7.101 1.435) 8.458 4.285 ( 4.365 7.101 1.435) 8.458 4.502 ( -6.758 -8.149 -2.894) 10.975 4.502 ( 6.758 -8.149 -2.894) 10.975 5.094 ( -1.654 3.155 -17.276) 17.640 5.094 ( 1.654 3.155 -17.276) 17.640 5.401 ( -6.571 10.076 10.426) 15.919 5.401 ( 6.571 10.076 10.426) 15.919 5.669 ( -5.984 -0.636 -4.362) 7.432 5.669 ( 5.984 -0.636 -4.362) 7.432 5.746 ( -5.767 -1.304 -9.313) 11.032 5.746 ( 5.767 -1.304 -9.313) 11.032 5.933 ( -2.848 -0.496 -12.444) 12.775 5.933 ( 2.848 -0.496 -12.444) 12.775 6.236 ( -2.890 -1.712 6.062) 6.931 6.236 ( 2.890 -1.712 6.062) 6.931 6.345 ( -1.978 0.047 6.307) 6.610 6.345 ( 1.978 0.047 6.307) 6.610 6.638 ( -5.311 -0.845 6.980) 8.812 6.638 ( 5.311 -0.845 6.980) 8.812 6.914 ( -5.322 5.119 0.690) 7.416 6.914 ( 5.322 5.119 0.690) 7.416 7.073 ( -6.362 -2.892 3.019) 7.613 7.073 ( 6.362 -2.892 3.019) 7.613 7.216 ( -2.656 -1.897 1.651) 3.658 7.216 ( 2.656 -1.897 1.651) 3.658 7.452 ( -0.746 1.993 5.631) 6.019 7.452 ( 0.746 1.993 5.631) 6.019 7.643 ( -5.475 1.569 7.080) 9.087 7.643 ( 5.475 1.569 7.080) 9.087 7.946 ( -5.941 0.982 7.707) 9.780 7.946 ( 5.941 0.982 7.707) 9.780 8.206 ( -7.432 -1.516 9.845) 12.428 8.206 ( 7.432 -1.516 9.845) 12.428 8.383 ( -6.489 2.500 5.892) 9.114 8.383 ( 6.489 2.500 5.892) 9.114 8.777 ( -4.887 -0.085 1.719) 5.181 8.777 ( 4.887 -0.085 1.719) 5.181 9.100 ( -0.651 0.029 10.072) 10.093 9.100 ( 0.651 0.029 10.072) 10.093 9.478 ( -1.728 8.111 7.084) 10.906 9.478 ( 1.728 8.111 7.084) 10.906 9.647 ( -2.268 -4.058 9.113) 10.230 9.647 ( 2.268 -4.058 9.113) 10.230 10.059 ( -1.740 3.975 -5.587) 7.074 10.059 ( 1.740 3.975 -5.587) 7.074 10.179 ( -1.278 -5.121 -11.647) 12.787 10.179 ( 1.278 -5.121 -11.647) 12.787 10.821 ( -4.114 2.964 -10.148) 11.344 10.821 ( 4.114 2.964 -10.148) 11.344 11.021 ( -5.860 1.502 -7.940) 9.982 11.021 ( 5.860 1.502 -7.940) 9.982 11.363 ( -4.626 -2.038 -8.140) 9.582 11.363 ( 4.626 -2.038 -8.140) 9.582 11.889 ( -3.738 -0.033 -1.645) 4.084 11.889 ( 3.738 -0.033 -1.645) 4.084 12.279 ( -1.845 -5.634 4.037) 7.172 12.279 ( 1.845 -5.634 4.037) 7.172 12.751 ( -2.856 4.310 4.534) 6.877 12.751 ( 2.856 4.310 4.534) 6.877 12.894 ( -1.793 -5.865 3.827) 7.229 12.894 ( 1.793 -5.865 3.827) 7.229 13.747 ( -4.796 -2.486 -3.399) 6.382 13.747 ( 4.796 -2.486 -3.399) 6.382 14.388 ( -4.348 3.510 -10.874) 12.226 14.388 ( 4.348 3.510 -10.874) 12.226 14.441 ( -2.850 0.985 -11.026) 11.431 14.441 ( 2.850 0.985 -11.026) 11.431 14.884 ( -2.173 -0.473 -29.358) 29.442 14.884 ( 2.173 -0.473 -29.358) 29.442 16.226 ( -0.653 -1.722 8.663) 8.857 16.226 ( 0.653 -1.722 8.663) 8.857 16.863 ( -1.376 -1.363 10.738) 10.912 16.863 ( 1.376 -1.363 10.738) 10.912 17.487 ( -5.827 3.000 -19.261) 20.346 17.487 ( 5.827 3.000 -19.261) 20.346 18.433 ( -2.018 -0.351 -18.130) 18.245 18.433 ( 2.018 -0.351 -18.130) 18.245 19.134 ( -3.881 -0.057 27.312) 27.587 19.134 ( 3.881 -0.057 27.312) 27.587 19.899 ( -8.397 0.655 20.461) 22.126 19.899 ( 8.397 0.655 20.461) 22.126 20.833 ( -5.194 -1.750 4.575) 7.139 20.833 ( 5.194 -1.750 4.575) 7.139 22.001 ( -3.862 -2.950 -1.124) 4.989 22.001 ( 3.862 -2.950 -1.124) 4.989 23.470 ( -1.316 -3.328 7.483) 8.295 23.470 ( 1.316 -3.328 7.483) 8.295 24.330 ( -1.239 0.928 -8.784) 8.920 24.330 ( 1.239 0.928 -8.784) 8.920 25.258 ( -0.425 2.123 0.108) 2.168 25.258 ( 0.425 2.123 0.108) 2.168 25.608 ( -1.263 -2.080 -6.268) 6.724 25.608 ( 1.263 -2.080 -6.268) 6.724 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 0.000 28.910) 28.910 2.159 ( 0.000 0.000 33.078) 33.078 2.313 ( 0.000 0.000 3.283) 3.283 2.354 ( 0.000 0.000 14.183) 14.183 3.009 ( 0.000 0.000 17.154) 17.154 3.124 ( 0.000 0.000 11.829) 11.829 3.131 ( 0.000 0.000 15.967) 15.967 3.503 ( 0.000 0.000 -23.253) 23.253 3.552 ( 0.000 0.000 -7.873) 7.873 3.721 ( 0.000 0.000 -13.435) 13.435 3.808 ( 0.000 0.000 -9.071) 9.071 3.889 ( 0.000 0.000 -17.561) 17.561 3.899 ( 0.000 0.000 -2.329) 2.329 4.118 ( 0.000 0.000 -12.272) 12.272 4.159 ( 0.000 0.000 15.644) 15.644 4.388 ( 0.000 0.000 -10.282) 10.282 4.483 ( 0.000 0.000 -14.701) 14.701 4.569 ( 0.000 0.000 -3.375) 3.375 4.623 ( 0.000 0.000 -16.821) 16.821 4.757 ( 0.000 0.000 18.864) 18.864 4.871 ( 0.000 0.000 8.660) 8.660 5.021 ( 0.000 0.000 12.678) 12.678 5.291 ( 0.000 0.000 21.432) 21.432 5.493 ( 0.000 0.000 10.948) 10.948 5.717 ( 0.000 0.000 8.960) 8.960 5.730 ( 0.000 0.000 2.700) 2.700 5.875 ( 0.000 0.000 -2.195) 2.195 5.913 ( 0.000 0.000 5.534) 5.534 5.958 ( 0.000 0.000 6.201) 6.201 6.256 ( 0.000 0.000 3.369) 3.369 6.414 ( 0.000 0.000 8.808) 8.808 6.504 ( 0.000 0.000 -4.005) 4.005 6.505 ( 0.000 0.000 -1.507) 1.507 6.747 ( 0.000 0.000 12.882) 12.882 6.751 ( 0.000 0.000 -8.083) 8.083 6.934 ( 0.000 0.000 8.762) 8.762 7.001 ( 0.000 0.000 6.578) 6.578 7.093 ( 0.000 0.000 -15.441) 15.441 7.298 ( 0.000 0.000 -6.306) 6.306 7.323 ( 0.000 0.000 1.931) 1.931 7.401 ( 0.000 0.000 6.684) 6.684 7.544 ( 0.000 0.000 0.537) 0.537 7.711 ( 0.000 0.000 -2.533) 2.533 7.836 ( 0.000 0.000 -1.517) 1.517 8.000 ( 0.000 0.000 -13.365) 13.365 8.023 ( 0.000 0.000 9.319) 9.319 8.081 ( 0.000 0.000 -8.053) 8.053 8.359 ( 0.000 0.000 10.768) 10.768 8.379 ( 0.000 0.000 1.755) 1.755 8.534 ( 0.000 0.000 -5.983) 5.983 8.597 ( 0.000 0.000 6.592) 6.592 8.606 ( 0.000 0.000 -6.722) 6.722 8.733 ( 0.000 0.000 15.902) 15.902 8.844 ( 0.000 0.000 1.138) 1.138 9.204 ( 0.000 0.000 -3.322) 3.322 9.678 ( 0.000 0.000 11.502) 11.502 9.704 ( 0.000 0.000 -7.906) 7.906 9.767 ( 0.000 0.000 -4.374) 4.374 9.773 ( 0.000 0.000 10.783) 10.783 9.818 ( 0.000 0.000 6.568) 6.568 10.123 ( 0.000 0.000 -12.280) 12.280 10.204 ( 0.000 0.000 -11.887) 11.887 10.355 ( 0.000 0.000 9.196) 9.196 10.478 ( 0.000 0.000 -8.325) 8.325 10.746 ( 0.000 0.000 -8.980) 8.980 10.846 ( 0.000 0.000 -13.176) 13.176 11.301 ( 0.000 0.000 -12.947) 12.947 11.708 ( 0.000 0.000 -13.290) 13.290 12.171 ( 0.000 0.000 0.674) 0.674 12.373 ( 0.000 0.000 -11.282) 11.282 12.386 ( 0.000 0.000 9.716) 9.716 12.498 ( 0.000 0.000 -5.589) 5.589 12.564 ( 0.000 0.000 -2.363) 2.363 12.814 ( 0.000 0.000 -4.361) 4.361 12.892 ( 0.000 0.000 -8.751) 8.751 12.902 ( 0.000 0.000 -7.496) 7.496 13.299 ( 0.000 0.000 8.409) 8.409 13.731 ( 0.000 0.000 11.031) 11.031 14.034 ( 0.000 0.000 -7.031) 7.031 14.316 ( 0.000 0.000 -1.170) 1.170 14.402 ( 0.000 0.000 0.757) 0.757 14.523 ( 0.000 0.000 3.160) 3.160 14.742 ( 0.000 0.000 4.714) 4.714 14.946 ( 0.000 0.000 -17.893) 17.893 16.108 ( 0.000 0.000 -7.648) 7.648 16.359 ( 0.000 0.000 -11.318) 11.318 16.570 ( 0.000 0.000 -3.888) 3.888 17.354 ( 0.000 0.000 -24.871) 24.871 17.460 ( 0.000 0.000 17.546) 17.546 17.603 ( 0.000 0.000 -1.599) 1.599 17.799 ( 0.000 0.000 9.483) 9.483 18.118 ( 0.000 0.000 -4.792) 4.792 19.062 ( 0.000 0.000 8.013) 8.013 19.906 ( 0.000 0.000 13.041) 13.041 20.148 ( 0.000 0.000 -8.434) 8.434 20.508 ( 0.000 0.000 1.344) 1.344 21.334 ( 0.000 0.000 22.865) 22.865 21.349 ( 0.000 0.000 5.214) 5.214 21.581 ( 0.000 0.000 -8.481) 8.481 23.016 ( 0.000 0.000 -22.873) 22.873 23.392 ( 0.000 0.000 7.781) 7.781 23.889 ( 0.000 0.000 10.099) 10.099 24.277 ( 0.000 0.000 -8.001) 8.001 24.630 ( 0.000 0.000 10.718) 10.718 24.931 ( 0.000 0.000 -15.614) 15.614 24.951 ( 0.000 0.000 13.418) 13.418 25.513 ( 0.000 0.000 -10.882) 10.882 25.857 ( 0.000 0.000 -7.177) 7.177 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -5.741 0.000 30.466) 31.002 2.108 ( 9.828 0.000 27.639) 29.334 2.145 ( -8.524 0.000 20.051) 21.787 2.639 ( 19.551 0.000 1.315) 19.595 2.695 ( -20.959 0.000 21.330) 29.904 3.208 ( 2.757 0.000 5.657) 6.293 3.370 ( 12.713 0.000 6.850) 14.441 3.411 ( -7.048 0.000 -7.651) 10.402 3.528 ( 2.490 0.000 -20.464) 20.615 3.699 ( -2.201 0.000 -9.994) 10.234 3.749 ( -9.445 0.000 -2.384) 9.741 3.805 ( -5.696 0.000 -15.149) 16.185 4.022 ( 10.364 0.000 -1.966) 10.549 4.149 ( 8.672 0.000 -7.498) 11.465 4.306 ( 10.261 0.000 12.000) 15.789 4.370 ( -2.862 0.000 -1.669) 3.313 4.455 ( -2.054 0.000 -16.466) 16.593 4.499 ( -6.161 0.000 -12.750) 14.160 4.545 ( -6.625 0.000 -16.028) 17.344 4.829 ( -10.086 0.000 11.683) 15.435 4.863 ( 9.819 0.000 18.710) 21.130 5.041 ( 6.656 0.000 10.047) 12.052 5.214 ( -7.765 0.000 20.293) 21.728 5.380 ( -9.725 0.000 9.832) 13.829 5.760 ( 1.882 0.000 0.005) 1.882 5.779 ( 5.783 0.000 9.086) 10.770 5.851 ( -2.559 0.000 -2.155) 3.345 5.939 ( -2.167 0.000 6.355) 6.714 6.027 ( 11.268 0.000 5.945) 12.740 6.253 ( 0.050 0.000 3.669) 3.669 6.333 ( -4.848 0.000 6.216) 7.883 6.472 ( -9.152 0.000 -2.395) 9.460 6.595 ( -1.331 0.000 2.754) 3.059 6.646 ( 11.457 0.000 -1.078) 11.507 6.737 ( -4.484 0.000 6.934) 8.257 7.051 ( -6.635 0.000 -10.110) 12.093 7.058 ( 6.324 0.000 6.947) 9.394 7.111 ( 9.528 0.000 5.331) 10.918 7.209 ( -4.064 0.000 -0.962) 4.176 7.281 ( -3.587 0.000 -6.556) 7.473 7.488 ( 7.635 0.000 0.423) 7.646 7.645 ( 7.246 0.000 2.898) 7.804 7.698 ( 1.059 0.000 -0.376) 1.124 7.842 ( 0.836 0.000 -4.062) 4.147 7.981 ( -1.575 0.000 -9.760) 9.887 7.985 ( -7.716 0.000 -4.823) 9.100 8.032 ( -2.760 0.000 3.974) 4.839 8.180 ( -12.604 0.000 6.930) 14.384 8.382 ( 3.395 0.000 0.869) 3.505 8.647 ( 4.485 0.000 9.318) 10.341 8.659 ( 7.330 0.000 -10.110) 12.488 8.675 ( -6.683 0.000 10.229) 12.218 8.717 ( 8.598 0.000 -2.014) 8.831 8.806 ( -3.751 0.000 5.811) 6.916 9.208 ( 1.958 0.000 -2.865) 3.470 9.544 ( -12.686 0.000 -3.188) 13.081 9.686 ( 1.342 0.000 10.903) 10.985 9.768 ( -1.143 0.000 10.338) 10.401 9.794 ( 4.211 0.000 -2.340) 4.817 9.902 ( 2.040 0.000 1.977) 2.841 10.140 ( 2.092 0.000 -8.689) 8.937 10.277 ( 8.666 0.000 -12.775) 15.437 10.284 ( -5.388 0.000 4.741) 7.177 10.556 ( 6.048 0.000 -6.221) 8.676 10.719 ( -12.118 0.000 -12.981) 17.758 10.722 ( -2.680 0.000 -8.587) 8.995 11.393 ( 8.360 0.000 -13.056) 15.503 11.663 ( -5.005 0.000 -13.143) 14.063 12.189 ( 1.924 0.000 2.162) 2.894 12.296 ( -3.983 0.000 3.241) 5.135 12.498 ( 0.054 0.000 -5.534) 5.534 12.504 ( 8.330 0.000 -5.821) 10.162 12.537 ( -2.155 0.000 -5.234) 5.660 12.822 ( -7.304 0.000 -9.276) 11.806 12.857 ( 3.571 0.000 -5.041) 6.178 12.914 ( 0.899 0.000 -5.693) 5.764 13.324 ( 3.480 0.000 10.021) 10.608 13.619 ( -10.391 0.000 12.336) 16.129 14.072 ( 3.979 0.000 -5.491) 6.780 14.258 ( -5.297 0.000 -1.180) 5.427 14.531 ( 12.027 0.000 -3.211) 12.448 14.577 ( 4.844 0.000 2.928) 5.660 14.721 ( -2.372 0.000 4.288) 4.900 14.895 ( -5.798 0.000 -15.943) 16.965 16.157 ( 5.637 0.000 -6.689) 8.747 16.445 ( 9.666 0.000 -11.438) 14.975 16.478 ( -9.267 0.000 -3.825) 10.025 17.033 ( -21.171 0.000 -11.427) 24.058 17.694 ( 9.222 0.000 -2.233) 9.489 17.700 ( 11.947 0.000 6.138) 13.431 17.820 ( 1.825 0.000 7.070) 7.301 18.050 ( -7.404 0.000 -4.276) 8.551 19.147 ( 10.558 0.000 10.748) 15.067 19.948 ( 4.361 0.000 9.829) 10.753 20.047 ( -37.087 0.000 10.989) 38.681 20.118 ( -3.332 0.000 -5.283) 6.246 21.334 ( 0.054 0.000 19.692) 19.692 21.345 ( -0.367 0.000 8.146) 8.154 22.019 ( 35.062 0.000 -17.699) 39.276 22.909 ( -12.466 0.000 -23.535) 26.633 23.452 ( 6.676 0.000 7.859) 10.311 23.795 ( -9.361 0.000 9.346) 13.228 24.339 ( 6.996 0.000 -8.603) 11.088 24.699 ( 6.664 0.000 11.452) 13.250 24.774 ( -14.439 0.000 -13.593) 19.831 24.917 ( -3.795 0.000 13.201) 13.736 25.616 ( 8.744 0.000 -10.867) 13.948 25.833 ( -2.864 0.000 -7.824) 8.331 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -2.574 0.000 27.836) 27.955 2.040 ( 2.574 0.000 27.836) 27.955 2.352 ( -17.404 0.000 24.717) 30.230 2.352 ( 17.404 0.000 24.717) 30.230 2.990 ( -19.489 0.000 -4.745) 20.058 2.990 ( 19.489 0.000 -4.745) 20.058 3.524 ( -4.908 0.000 -6.823) 8.405 3.524 ( 4.908 0.000 -6.823) 8.405 3.538 ( -13.014 0.000 0.008) 13.014 3.538 ( 13.014 0.000 0.008) 13.014 3.706 ( -4.461 0.000 -13.695) 14.404 3.706 ( 4.461 0.000 -13.695) 14.404 4.233 ( -12.014 0.000 5.986) 13.422 4.233 ( 12.014 0.000 5.986) 13.422 4.330 ( -9.394 0.000 -5.661) 10.968 4.330 ( 9.394 0.000 -5.661) 10.968 4.438 ( -0.560 0.000 -21.523) 21.530 4.438 ( 0.560 0.000 -21.523) 21.530 4.590 ( -13.633 0.000 9.253) 16.476 4.590 ( 13.633 0.000 9.253) 16.476 5.049 ( -10.547 0.000 19.203) 21.909 5.049 ( 10.547 0.000 19.203) 21.909 5.202 ( -10.198 0.000 8.521) 13.289 5.202 ( 10.198 0.000 8.521) 13.289 5.800 ( -2.804 0.000 -1.574) 3.216 5.800 ( 2.804 0.000 -1.574) 3.216 5.878 ( -4.828 0.000 7.710) 9.096 5.878 ( 4.828 0.000 7.710) 9.096 6.251 ( -13.452 0.000 2.639) 13.708 6.251 ( 13.452 0.000 2.639) 13.708 6.271 ( -2.186 0.000 5.112) 5.560 6.271 ( 2.186 0.000 5.112) 5.560 6.651 ( -4.838 0.000 3.459) 5.948 6.651 ( 4.838 0.000 3.459) 5.948 6.864 ( -12.704 0.000 -1.757) 12.824 6.864 ( 12.704 0.000 -1.757) 12.824 7.156 ( -3.624 0.000 6.756) 7.667 7.156 ( 3.624 0.000 6.756) 7.667 7.215 ( -3.150 0.000 -7.641) 8.265 7.215 ( 3.150 0.000 -7.641) 8.265 7.640 ( -8.010 0.000 -1.110) 8.086 7.640 ( 8.010 0.000 -1.110) 8.086 7.801 ( -7.645 0.000 0.060) 7.645 7.801 ( 7.645 0.000 0.060) 7.645 7.961 ( -0.854 0.000 -7.193) 7.244 7.961 ( 0.854 0.000 -7.193) 7.244 7.983 ( -8.491 0.000 4.073) 9.417 7.983 ( 8.491 0.000 4.073) 9.417 8.516 ( -10.052 0.000 4.305) 10.935 8.516 ( 10.052 0.000 4.305) 10.935 8.730 ( -4.676 0.000 10.121) 11.149 8.730 ( 4.676 0.000 10.121) 11.149 8.764 ( -3.227 0.000 -7.547) 8.208 8.764 ( 3.227 0.000 -7.547) 8.208 9.326 ( -11.074 0.000 -1.712) 11.205 9.326 ( 11.074 0.000 -1.712) 11.205 9.728 ( -2.947 0.000 9.981) 10.407 9.728 ( 2.947 0.000 9.981) 10.407 9.874 ( -4.042 0.000 -0.082) 4.042 9.874 ( 4.042 0.000 -0.082) 4.042 10.197 ( -4.287 0.000 -1.058) 4.415 10.197 ( 4.287 0.000 -1.058) 4.415 10.484 ( -13.667 0.000 -12.858) 18.765 10.484 ( 13.667 0.000 -12.858) 18.765 10.655 ( -4.898 0.000 -7.425) 8.895 10.655 ( 4.898 0.000 -7.425) 8.895 11.544 ( -8.181 0.000 -13.045) 15.398 11.544 ( 8.181 0.000 -13.045) 15.398 12.234 ( -3.113 0.000 4.317) 5.322 12.234 ( 3.113 0.000 4.317) 5.322 12.507 ( -1.138 0.000 -6.481) 6.580 12.507 ( 1.138 0.000 -6.481) 6.580 12.666 ( -9.735 0.000 -9.165) 13.370 12.666 ( 9.735 0.000 -9.165) 13.370 12.908 ( -1.856 0.000 -5.243) 5.562 12.908 ( 1.856 0.000 -5.243) 5.562 13.437 ( -9.177 0.000 12.555) 15.551 13.437 ( 9.177 0.000 12.555) 15.551 14.159 ( -5.603 0.000 -2.740) 6.237 14.159 ( 5.603 0.000 -2.740) 6.237 14.661 ( -4.348 0.000 3.424) 5.534 14.661 ( 4.348 0.000 3.424) 5.534 14.745 ( -11.069 0.000 -10.380) 15.175 14.745 ( 11.069 0.000 -10.380) 15.175 16.298 ( -9.971 0.000 -4.783) 11.059 16.298 ( 9.971 0.000 -4.783) 11.059 16.687 ( -17.492 0.000 -11.619) 21.000 16.687 ( 17.492 0.000 -11.619) 21.000 17.824 ( -2.624 0.000 6.488) 6.999 17.824 ( 2.624 0.000 6.488) 6.999 17.881 ( -11.046 0.000 -3.282) 11.523 17.881 ( 11.046 0.000 -3.282) 11.523 19.468 ( -26.467 0.000 14.966) 30.406 19.468 ( 26.467 0.000 14.966) 30.406 20.039 ( -5.362 0.000 2.258) 5.818 20.039 ( 5.362 0.000 2.258) 5.818 21.338 ( -0.366 0.000 13.796) 13.801 21.338 ( 0.366 0.000 13.796) 13.801 22.572 ( -26.003 0.000 -23.469) 35.028 22.572 ( 26.003 0.000 -23.469) 35.028 23.610 ( -10.639 0.000 8.322) 13.507 23.610 ( 10.639 0.000 8.322) 13.507 24.518 ( -13.201 0.000 -10.597) 16.929 24.518 ( 13.201 0.000 -10.597) 16.929 24.823 ( -6.706 0.000 12.528) 14.210 24.823 ( 6.706 0.000 12.528) 14.210 25.753 ( -6.318 0.000 -9.440) 11.359 25.753 ( 6.318 0.000 -9.440) 11.359 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 6.937 27.831) 28.683 2.258 ( 0.000 9.790 30.908) 32.422 2.365 ( 0.000 5.431 5.443) 7.689 2.432 ( 0.000 7.581 13.107) 15.141 3.003 ( 0.000 1.113 17.490) 17.525 3.145 ( 0.000 1.191 14.811) 14.859 3.270 ( 0.000 12.599 10.396) 16.334 3.471 ( 0.000 -2.046 -14.838) 14.978 3.578 ( 0.000 0.915 -13.003) 13.035 3.614 ( 0.000 -6.217 -10.409) 12.124 3.866 ( 0.000 -2.008 -14.093) 14.235 3.872 ( 0.000 -1.347 -4.411) 4.612 3.943 ( 0.000 7.558 -10.622) 13.037 4.060 ( 0.000 -4.788 -11.554) 12.507 4.211 ( 0.000 4.730 13.600) 14.399 4.390 ( 0.000 -0.346 -3.230) 3.248 4.532 ( 0.000 4.123 -16.926) 17.421 4.600 ( 0.000 5.110 -12.090) 13.125 4.699 ( 0.000 -6.249 18.175) 19.219 4.718 ( 0.000 7.726 -13.768) 15.788 4.755 ( 0.000 -9.905 15.752) 18.608 5.038 ( 0.000 1.360 7.676) 7.796 5.306 ( 0.000 0.404 13.857) 13.863 5.553 ( 0.000 5.764 8.643) 10.388 5.725 ( 0.000 2.808 12.894) 13.196 5.799 ( 0.000 4.263 -0.354) 4.277 5.934 ( 0.000 4.978 -1.522) 5.205 5.939 ( 0.000 2.631 7.126) 7.596 5.980 ( 0.000 2.384 6.023) 6.478 6.190 ( 0.000 -4.563 2.842) 5.375 6.419 ( 0.000 1.210 5.263) 5.400 6.490 ( 0.000 -1.257 -4.952) 5.109 6.589 ( 0.000 6.243 1.271) 6.371 6.770 ( 0.000 1.626 -8.228) 8.387 6.797 ( 0.000 4.753 11.819) 12.739 6.909 ( 0.000 -5.743 5.293) 7.810 6.913 ( 0.000 -1.581 10.469) 10.588 7.118 ( 0.000 1.537 -14.733) 14.813 7.311 ( 0.000 -5.208 4.697) 7.013 7.350 ( 0.000 -3.280 -1.439) 3.582 7.396 ( 0.000 6.245 -0.282) 6.251 7.432 ( 0.000 -2.130 0.237) 2.143 7.777 ( 0.000 3.451 -0.113) 3.453 7.843 ( 0.000 -8.804 -4.402) 9.843 7.915 ( 0.000 1.953 -2.892) 3.490 8.074 ( 0.000 3.067 7.637) 8.230 8.127 ( 0.000 0.015 -2.973) 2.973 8.296 ( 0.000 -2.310 1.571) 2.793 8.327 ( 0.000 1.285 1.314) 1.838 8.457 ( 0.000 -7.647 4.425) 8.835 8.638 ( 0.000 7.312 -5.940) 9.421 8.715 ( 0.000 6.324 0.272) 6.330 8.854 ( 0.000 3.350 8.131) 8.794 8.938 ( 0.000 12.936 5.279) 13.971 9.205 ( 0.000 0.577 -2.230) 2.303 9.582 ( 0.000 -4.483 7.287) 8.555 9.621 ( 0.000 -8.209 9.543) 12.587 9.773 ( 0.000 2.762 -6.646) 7.197 9.841 ( 0.000 6.204 -2.113) 6.554 9.978 ( 0.000 9.075 6.350) 11.076 10.156 ( 0.000 1.044 -5.542) 5.640 10.162 ( 0.000 0.177 -10.366) 10.367 10.463 ( 0.000 8.331 4.541) 9.488 10.472 ( 0.000 -0.656 -7.825) 7.852 10.580 ( 0.000 -11.109 -11.674) 16.114 10.957 ( 0.000 5.556 -9.259) 10.798 11.296 ( 0.000 -0.994 -12.265) 12.306 11.622 ( 0.000 -8.053 -13.094) 15.372 11.993 ( 0.000 -9.693 5.179) 10.990 12.163 ( 0.000 -12.256 7.567) 14.404 12.442 ( 0.000 5.760 -10.360) 11.854 12.751 ( 0.000 -4.895 -5.251) 7.179 12.752 ( 0.000 10.512 -5.016) 11.647 12.793 ( 0.000 17.382 -8.429) 19.318 12.886 ( 0.000 -0.914 -6.630) 6.693 12.938 ( 0.000 2.779 -5.839) 6.466 13.280 ( 0.000 0.364 10.667) 10.674 13.638 ( 0.000 -6.329 7.216) 9.599 14.127 ( 0.000 7.038 -5.121) 8.704 14.315 ( 0.000 -0.375 -2.854) 2.878 14.366 ( 0.000 -4.090 -1.706) 4.432 14.465 ( 0.000 -5.405 1.832) 5.707 14.617 ( 0.000 -10.861 0.461) 10.871 14.925 ( 0.000 -3.549 -14.552) 14.978 16.125 ( 0.000 1.979 -7.054) 7.326 16.374 ( 0.000 1.387 -10.703) 10.793 16.626 ( 0.000 5.792 -3.775) 6.914 17.359 ( 0.000 -11.197 8.919) 14.315 17.386 ( 0.000 -13.676 11.255) 17.712 17.409 ( 0.000 5.434 -24.585) 25.178 17.867 ( 0.000 1.537 -0.715) 1.695 18.202 ( 0.000 6.174 -5.209) 8.078 19.130 ( 0.000 7.351 12.597) 14.585 19.854 ( 0.000 -4.646 15.303) 15.993 20.134 ( 0.000 -2.014 -3.387) 3.941 20.578 ( 0.000 6.467 1.058) 6.553 21.250 ( 0.000 -8.498 22.519) 24.069 21.311 ( 0.000 -3.424 5.610) 6.572 21.554 ( 0.000 -1.622 -6.542) 6.740 22.789 ( 0.000 -16.620 -12.944) 21.067 23.599 ( 0.000 14.338 -2.022) 14.480 23.934 ( 0.000 3.620 6.026) 7.030 24.094 ( 0.000 -13.452 -1.788) 13.570 24.624 ( 0.000 -17.917 -0.447) 17.923 24.790 ( 0.000 11.482 4.804) 12.447 25.134 ( 0.000 6.260 -0.020) 6.260 25.511 ( 0.000 -0.299 -10.448) 10.452 25.820 ( 0.000 -3.630 -6.994) 7.880 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.026 6.948 27.145) 28.093 2.195 ( 1.675 9.602 26.957) 28.665 2.231 ( -7.130 8.780 22.013) 24.749 2.658 ( 7.903 2.774 7.856) 11.483 2.752 ( -9.723 4.693 14.693) 18.233 3.242 ( -2.595 3.063 2.436) 4.695 3.340 ( 4.157 -0.616 0.479) 4.229 3.491 ( 5.316 5.695 -0.302) 7.796 3.558 ( 4.344 1.742 -16.433) 17.086 3.653 ( -0.004 -3.674 -7.262) 8.138 3.769 ( -12.642 1.634 -6.635) 14.371 3.809 ( -4.254 0.856 -11.630) 12.414 3.968 ( 7.696 -4.527 -3.931) 9.756 4.155 ( 7.043 -0.720 -6.574) 9.661 4.299 ( 3.596 0.175 15.063) 15.487 4.383 ( 1.410 1.723 -4.852) 5.338 4.505 ( -2.300 4.322 -16.706) 17.409 4.541 ( -1.863 4.776 -14.132) 15.033 4.575 ( -8.065 -0.302 -7.063) 10.725 4.810 ( 7.436 -3.884 16.337) 18.364 4.864 ( 0.025 1.784 4.519) 4.859 4.985 ( -0.256 -1.589 13.067) 13.166 5.253 ( -4.672 2.074 13.598) 14.527 5.427 ( -10.192 5.515 9.059) 14.709 5.789 ( 2.938 2.637 4.126) 5.711 5.816 ( 2.566 2.733 2.491) 4.501 5.918 ( -1.318 5.398 0.055) 5.557 5.967 ( -1.220 3.197 5.409) 6.400 6.024 ( 8.114 -0.659 7.559) 11.109 6.197 ( 0.268 -3.622 2.255) 4.275 6.351 ( -2.945 2.117 3.762) 5.225 6.536 ( -8.284 3.456 -1.228) 9.059 6.610 ( 4.618 3.530 -0.393) 5.826 6.675 ( 4.518 2.048 2.901) 5.747 6.765 ( -3.486 2.997 7.501) 8.798 6.963 ( 4.559 -5.491 3.449) 7.926 7.028 ( 0.630 -3.885 3.634) 5.357 7.109 ( -0.886 0.489 -10.097) 10.148 7.220 ( -2.029 -0.118 1.659) 2.624 7.338 ( -3.119 5.398 -2.493) 6.714 7.423 ( 7.546 -6.432 -0.647) 9.937 7.589 ( 9.705 -2.060 2.538) 10.240 7.760 ( 0.905 3.693 0.375) 3.821 7.793 ( -7.623 -9.819 -4.161) 13.108 7.866 ( -3.277 0.177 -1.841) 3.763 8.030 ( -6.393 1.847 1.196) 6.761 8.109 ( -1.079 0.955 3.047) 3.370 8.163 ( -5.975 1.940 2.338) 6.703 8.457 ( 7.622 4.607 -1.289) 8.998 8.544 ( 6.976 -5.329 3.747) 9.544 8.623 ( 1.224 3.300 -2.764) 4.475 8.752 ( -4.303 -0.012 -0.794) 4.375 8.837 ( 3.176 9.658 5.273) 11.453 8.933 ( -1.236 11.950 5.349) 13.150 9.215 ( 2.543 0.888 -1.732) 3.203 9.515 ( -8.694 -3.298 2.120) 9.537 9.627 ( 2.145 -3.982 8.654) 9.765 9.732 ( -3.264 -0.381 2.238) 3.976 9.877 ( 3.157 5.148 -0.686) 6.078 9.961 ( -0.790 5.116 2.048) 5.567 10.145 ( -0.257 -2.011 -7.944) 8.198 10.240 ( 4.023 3.613 -0.087) 5.408 10.408 ( -0.726 5.210 -6.213) 8.140 10.534 ( 0.787 -5.451 -12.515) 13.673 10.589 ( 3.267 -0.794 -3.311) 4.719 10.864 ( -8.671 6.253 -8.842) 13.873 11.373 ( 6.933 -2.250 -11.918) 13.970 11.589 ( -3.706 -6.854 -12.530) 14.755 12.020 ( 2.877 -10.032 5.320) 11.714 12.140 ( -2.541 -11.631 7.039) 13.831 12.473 ( 3.354 4.403 -9.834) 11.284 12.650 ( -6.082 3.807 -6.099) 9.417 12.772 ( 0.320 11.318 -8.439) 14.121 12.827 ( 1.005 3.323 -7.435) 8.206 12.905 ( -0.145 2.863 -3.920) 4.857 12.926 ( 0.609 2.337 -6.635) 7.061 13.314 ( 4.190 1.140 11.106) 11.925 13.570 ( -7.094 -3.324 9.174) 12.064 14.120 ( 1.029 3.904 -4.845) 6.307 14.258 ( -4.921 -0.238 -2.450) 5.502 14.477 ( 7.756 -6.447 -3.409) 10.646 14.532 ( 7.922 -3.237 -0.315) 8.563 14.604 ( -1.528 -10.432 0.247) 10.546 14.871 ( -6.060 -3.589 -13.016) 14.800 16.181 ( 6.261 2.464 -5.847) 8.914 16.442 ( 4.922 0.150 -8.172) 9.541 16.547 ( -4.833 6.472 -6.446) 10.334 17.054 ( -20.369 1.662 -8.984) 22.324 17.448 ( 7.101 -15.841 2.588) 17.551 17.579 ( 4.348 -9.610 5.793) 12.034 17.939 ( 7.246 4.876 -5.308) 10.220 18.161 ( -4.323 7.158 -4.828) 9.656 19.214 ( 10.223 7.054 14.689) 19.236 19.867 ( -3.717 -5.255 14.173) 15.566 20.043 ( -10.926 -1.482 5.878) 12.495 20.234 ( -18.999 9.446 1.525) 21.272 21.263 ( 1.529 -7.214 19.429) 20.781 21.326 ( -0.870 -1.893 7.399) 7.687 21.938 ( 31.863 -6.951 -13.762) 35.397 22.714 ( -9.281 -15.398 -15.205) 23.546 23.625 ( 3.221 12.917 -0.241) 13.315 23.855 ( -7.425 4.683 5.052) 10.129 24.161 ( 6.819 -12.990 -1.892) 14.793 24.522 ( -10.310 -16.758 -1.866) 19.764 24.845 ( 5.602 10.427 5.152) 12.910 25.071 ( -5.753 7.545 2.638) 9.848 25.596 ( 7.533 -1.903 -10.215) 12.834 25.796 ( -2.809 -3.591 -7.560) 8.828 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -2.175 10.019 27.284) 29.146 2.141 ( 2.175 10.019 27.284) 29.146 2.402 ( -16.122 5.082 24.323) 29.620 2.402 ( 16.122 5.082 24.323) 29.620 3.006 ( -17.634 1.695 -4.560) 18.293 3.006 ( 17.634 1.695 -4.560) 18.293 3.520 ( -10.621 1.401 -2.737) 11.057 3.520 ( 10.621 1.401 -2.737) 11.057 3.585 ( -1.905 0.821 -6.219) 6.556 3.585 ( 1.905 0.821 -6.219) 6.556 3.716 ( -6.442 2.757 -9.972) 12.188 3.716 ( 6.442 2.757 -9.972) 12.188 4.136 ( -9.538 -7.169 3.556) 12.450 4.136 ( 9.538 -7.169 3.556) 12.450 4.366 ( -7.501 1.680 -1.473) 7.826 4.366 ( 7.501 1.680 -1.473) 7.826 4.477 ( -1.156 3.571 -19.131) 19.495 4.477 ( 1.156 3.571 -19.131) 19.495 4.668 ( -12.851 5.824 2.396) 14.311 4.668 ( 12.851 5.824 2.396) 14.311 4.977 ( -6.565 -4.769 19.009) 20.669 4.977 ( 6.565 -4.769 19.009) 20.669 5.259 ( -7.294 4.928 7.926) 11.845 5.259 ( 7.294 4.928 7.926) 11.845 5.827 ( -1.856 1.969 -1.066) 2.908 5.827 ( 1.856 1.969 -1.066) 2.908 5.930 ( -2.618 4.827 6.632) 8.610 5.930 ( 2.618 4.827 6.632) 8.610 6.161 ( -5.422 -4.685 3.660) 8.047 6.161 ( 5.422 -4.685 3.660) 8.047 6.375 ( -6.524 6.156 3.124) 9.499 6.375 ( 6.524 6.156 3.124) 9.499 6.679 ( -4.096 3.164 4.325) 6.745 6.679 ( 4.096 3.164 4.325) 6.745 6.869 ( -11.759 -0.189 -0.116) 11.761 6.869 ( 11.759 -0.189 -0.116) 11.761 7.065 ( -4.818 -5.368 -0.655) 7.243 7.065 ( 4.818 -5.368 -0.655) 7.243 7.269 ( -4.510 3.300 -2.151) 5.988 7.269 ( 4.510 3.300 -2.151) 5.988 7.597 ( -10.771 -5.755 1.128) 12.264 7.597 ( 10.771 -5.755 1.128) 12.264 7.757 ( -6.711 -5.332 -0.560) 8.590 7.757 ( 6.711 -5.332 -0.560) 8.590 7.882 ( -8.989 3.682 -1.410) 9.815 7.882 ( 8.989 3.682 -1.410) 9.815 8.103 ( -1.263 2.883 2.497) 4.018 8.103 ( 1.263 2.883 2.497) 4.018 8.593 ( -6.059 5.158 -0.664) 7.985 8.593 ( 6.059 5.158 -0.664) 7.985 8.651 ( -1.689 -2.317 2.115) 3.563 8.651 ( 1.689 -2.317 2.115) 3.563 8.895 ( -2.642 9.484 2.328) 10.116 8.895 ( 2.642 9.484 2.328) 10.116 9.333 ( -10.210 0.388 -0.331) 10.222 9.333 ( 10.210 0.388 -0.331) 10.222 9.677 ( -3.131 -3.064 6.998) 8.256 9.677 ( 3.131 -3.064 6.998) 8.256 9.930 ( -2.757 4.075 0.629) 4.960 9.930 ( 2.757 4.075 0.629) 4.960 10.199 ( -5.452 -0.173 -1.749) 5.728 10.199 ( 5.452 -0.173 -1.749) 5.728 10.479 ( -5.532 -0.199 -10.996) 12.311 10.479 ( 5.532 -0.199 -10.996) 12.311 10.705 ( -8.577 4.627 -6.449) 11.686 10.705 ( 8.577 4.627 -6.449) 11.686 11.497 ( -6.578 -4.462 -11.869) 14.285 11.497 ( 6.578 -4.462 -11.869) 14.285 12.082 ( -3.813 -10.752 5.997) 12.888 12.082 ( 3.813 -10.752 5.997) 12.888 12.550 ( -5.236 3.207 -8.306) 10.329 12.550 ( 5.236 3.207 -8.306) 10.329 12.798 ( -2.575 8.088 -8.100) 11.732 12.798 ( 2.575 8.088 -8.100) 11.732 12.922 ( -1.498 1.547 -5.078) 5.516 12.922 ( 1.498 1.547 -5.078) 5.516 13.427 ( -8.137 0.518 10.924) 13.632 13.427 ( 8.137 0.518 10.924) 13.632 14.172 ( -4.434 1.046 -3.472) 5.728 14.172 ( 4.434 1.046 -3.472) 5.728 14.562 ( -3.292 -8.976 -0.650) 9.582 14.562 ( 3.292 -8.976 -0.650) 9.582 14.720 ( -10.766 -3.248 -8.388) 14.030 14.720 ( 10.766 -3.248 -8.388) 14.030 16.330 ( -10.043 2.883 -3.645) 11.066 16.330 ( 10.043 2.883 -3.645) 11.066 16.716 ( -17.084 3.097 -11.751) 20.965 16.716 ( 17.084 3.097 -11.751) 20.965 17.566 ( -4.901 -14.954 5.339) 16.618 17.566 ( 4.901 -14.954 5.339) 16.618 18.066 ( -6.409 7.616 -5.229) 11.244 18.066 ( 6.409 7.616 -5.229) 11.244 19.511 ( -23.365 4.163 17.527) 29.503 19.511 ( 23.365 4.163 17.527) 29.503 20.055 ( -6.799 1.676 4.154) 8.142 20.055 ( 6.799 1.676 4.154) 8.142 21.297 ( -2.090 -4.160 12.968) 13.778 21.297 ( 2.090 -4.160 12.968) 13.778 22.436 ( -22.804 -11.806 -17.651) 31.160 22.436 ( 22.804 -11.806 -17.651) 31.160 23.718 ( -7.222 8.900 2.941) 11.832 23.718 ( 7.222 8.900 2.941) 11.832 24.321 ( -11.138 -14.484 -2.438) 18.433 24.321 ( 11.138 -14.484 -2.438) 18.433 24.959 ( -6.764 8.859 4.981) 12.208 24.959 ( 6.764 8.859 4.981) 12.208 25.720 ( -5.911 -3.238 -8.955) 11.208 25.720 ( 5.911 -3.238 -8.955) 11.208 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 11.531 24.417) 27.002 2.495 ( 0.000 12.813 18.417) 22.435 2.533 ( 0.000 12.760 16.358) 20.746 2.623 ( 0.000 11.622 12.139) 16.806 3.057 ( 0.000 4.021 19.498) 19.909 3.168 ( 0.000 1.138 12.635) 12.686 3.438 ( 0.000 -1.614 -9.674) 9.808 3.478 ( 0.000 -1.592 -3.684) 4.013 3.545 ( 0.000 -4.172 -7.566) 8.640 3.579 ( 0.000 11.387 -0.289) 11.390 3.839 ( 0.000 -0.454 -8.423) 8.436 3.853 ( 0.000 0.696 -4.947) 4.995 3.977 ( 0.000 -3.292 -8.186) 8.823 4.067 ( 0.000 4.061 -9.177) 10.035 4.248 ( 0.000 -5.465 5.331) 7.634 4.372 ( 0.000 -1.255 -1.414) 1.890 4.553 ( 0.000 -4.745 23.262) 23.741 4.610 ( 0.000 -2.873 13.927) 14.221 4.620 ( 0.000 4.335 -16.622) 17.178 4.733 ( 0.000 7.410 -14.745) 16.502 4.901 ( 0.000 10.056 -17.262) 19.977 5.055 ( 0.000 1.004 -0.671) 1.207 5.275 ( 0.000 -3.160 9.690) 10.192 5.643 ( 0.000 0.599 -0.525) 0.797 5.810 ( 0.000 4.829 15.883) 16.601 5.870 ( 0.000 3.234 -1.798) 3.701 5.982 ( 0.000 -0.281 -3.659) 3.670 6.002 ( 0.000 3.315 9.984) 10.520 6.070 ( 0.000 5.013 6.097) 7.893 6.168 ( 0.000 4.045 1.024) 4.173 6.457 ( 0.000 -2.427 -5.845) 6.329 6.460 ( 0.000 2.877 4.766) 5.567 6.690 ( 0.000 3.475 8.545) 9.224 6.781 ( 0.000 -0.873 -4.393) 4.479 6.863 ( 0.000 -2.028 6.796) 7.092 6.866 ( 0.000 2.023 1.752) 2.676 6.931 ( 0.000 6.477 5.440) 8.458 7.158 ( 0.000 2.955 -12.315) 12.665 7.231 ( 0.000 -2.022 1.685) 2.632 7.249 ( 0.000 -0.562 5.685) 5.713 7.491 ( 0.000 2.826 3.118) 4.209 7.493 ( 0.000 1.845 -2.223) 2.889 7.677 ( 0.000 -4.846 -2.067) 5.268 7.796 ( 0.000 -1.389 3.309) 3.589 7.945 ( 0.000 0.583 2.922) 2.979 8.041 ( 0.000 -2.759 6.263) 6.844 8.090 ( 0.000 -1.791 1.663) 2.444 8.276 ( 0.000 -5.527 4.020) 6.834 8.426 ( 0.000 7.139 -8.360) 10.993 8.504 ( 0.000 13.710 7.444) 15.601 8.725 ( 0.000 -2.281 1.548) 2.757 8.770 ( 0.000 5.907 -6.864) 9.056 9.023 ( 0.000 10.378 11.023) 15.140 9.116 ( 0.000 3.962 0.249) 3.970 9.282 ( 0.000 8.042 5.173) 9.562 9.494 ( 0.000 -3.699 3.952) 5.414 9.535 ( 0.000 -0.096 7.769) 7.770 9.827 ( 0.000 2.640 -10.885) 11.201 9.939 ( 0.000 3.536 0.427) 3.562 10.125 ( 0.000 -2.038 1.545) 2.557 10.130 ( 0.000 5.253 5.474) 7.587 10.269 ( 0.000 8.085 -8.686) 11.866 10.364 ( 0.000 -10.132 -13.187) 16.630 10.464 ( 0.000 0.116 -5.083) 5.084 10.624 ( 0.000 7.759 2.296) 8.092 11.022 ( 0.000 1.069 -7.305) 7.383 11.246 ( 0.000 -4.058 -7.887) 8.869 11.439 ( 0.000 -9.878 -12.480) 15.916 11.900 ( 0.000 -0.228 3.798) 3.805 11.993 ( 0.000 -4.660 8.984) 10.121 12.515 ( 0.000 -0.034 -6.606) 6.606 12.632 ( 0.000 -7.998 -1.058) 8.067 12.861 ( 0.000 0.675 -2.575) 2.662 12.892 ( 0.000 2.316 -7.393) 7.747 12.922 ( 0.000 -3.437 -3.561) 4.949 12.991 ( 0.000 2.753 -1.769) 3.272 13.470 ( 0.000 17.749 2.574) 17.935 13.581 ( 0.000 1.556 -2.074) 2.593 14.212 ( 0.000 -11.872 -4.999) 12.882 14.243 ( 0.000 2.768 -4.686) 5.443 14.297 ( 0.000 -12.309 0.928) 12.344 14.302 ( 0.000 0.577 -7.004) 7.028 14.465 ( 0.000 -2.225 -8.410) 8.700 14.780 ( 0.000 -11.204 -13.343) 17.423 16.194 ( 0.000 5.099 -4.295) 6.666 16.410 ( 0.000 2.638 -9.283) 9.650 16.785 ( 0.000 10.150 -4.314) 11.029 17.063 ( 0.000 -15.372 2.730) 15.613 17.172 ( 0.000 -10.943 15.312) 18.821 17.551 ( 0.000 8.922 -24.014) 25.618 17.830 ( 0.000 -5.014 -6.738) 8.399 18.274 ( 0.000 0.671 -9.964) 9.987 19.348 ( 0.000 14.610 20.247) 24.968 19.760 ( 0.000 -4.456 20.451) 20.931 20.051 ( 0.000 -6.465 8.561) 10.728 20.725 ( 0.000 8.078 1.119) 8.156 21.024 ( 0.000 -14.270 21.421) 25.739 21.251 ( 0.000 -2.270 4.956) 5.451 21.547 ( 0.000 1.180 -4.989) 5.127 22.468 ( 0.000 -16.133 -8.600) 18.282 23.789 ( 0.000 -2.983 1.706) 3.436 23.908 ( 0.000 2.699 -5.748) 6.350 23.958 ( 0.000 -3.490 1.884) 3.967 24.318 ( 0.000 -11.179 -1.089) 11.232 24.999 ( 0.000 9.783 1.588) 9.911 25.201 ( 0.000 1.407 0.956) 1.701 25.496 ( 0.000 -1.344 -9.277) 9.374 25.729 ( 0.000 -5.481 -6.573) 8.559 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 5.659 11.081 24.215) 27.225 2.433 ( -2.432 14.216 19.010) 23.861 2.478 ( -4.151 15.652 25.983) 30.616 2.752 ( -0.280 6.649 11.826) 13.570 2.854 ( -2.479 5.824 11.021) 12.710 3.289 ( -11.181 1.690 -3.592) 11.865 3.374 ( 11.889 3.001 7.192) 14.216 3.492 ( 0.534 -4.355 -10.255) 11.155 3.563 ( -0.594 -5.373 -7.075) 8.904 3.673 ( 9.011 8.189 4.037) 12.828 3.781 ( -9.802 -0.213 -2.957) 10.241 3.868 ( -0.060 3.249 -6.995) 7.713 3.902 ( 1.852 0.157 -12.730) 12.865 4.104 ( -1.056 -3.773 0.907) 4.022 4.276 ( 2.022 -5.421 4.949) 7.614 4.432 ( 6.986 1.767 -8.526) 11.164 4.477 ( -6.953 -6.530 10.823) 14.426 4.588 ( -1.562 2.788 -8.981) 9.533 4.644 ( 1.793 5.775 -12.466) 13.855 4.790 ( 7.823 4.046 7.545) 11.597 4.904 ( -5.640 0.294 -8.961) 10.592 5.031 ( 0.389 6.368 2.833) 6.980 5.286 ( 1.622 2.040 8.684) 9.066 5.576 ( -8.766 8.269 4.663) 12.921 5.801 ( -0.185 -2.458 2.489) 3.503 5.855 ( 0.166 0.909 2.578) 2.738 5.951 ( -0.962 -2.641 -0.287) 2.825 6.016 ( 0.575 1.207 7.649) 7.764 6.083 ( 1.279 6.145 3.883) 7.381 6.187 ( -0.496 3.512 1.829) 3.990 6.414 ( 1.200 3.816 1.956) 4.453 6.552 ( 1.619 -0.955 -1.678) 2.520 6.710 ( 3.465 3.420 10.357) 11.444 6.728 ( -0.817 4.238 -1.075) 4.448 6.838 ( -3.666 2.800 6.792) 8.211 6.903 ( 3.933 0.068 2.159) 4.487 6.953 ( -1.332 -1.737 1.258) 2.525 7.128 ( -4.695 1.616 -10.791) 11.878 7.234 ( 2.549 2.114 2.681) 4.261 7.306 ( 7.512 -2.968 1.379) 8.193 7.459 ( -3.196 5.988 0.449) 6.802 7.558 ( 3.244 -4.572 -0.829) 5.667 7.628 ( -4.626 -3.375 4.383) 7.211 7.783 ( -0.830 -2.002 2.627) 3.405 7.877 ( -3.114 0.740 -0.187) 3.206 8.037 ( -3.076 0.579 -3.407) 4.627 8.086 ( 2.399 -0.678 9.277) 9.606 8.308 ( -6.401 9.912 -1.140) 11.854 8.412 ( 7.543 -5.332 5.951) 10.988 8.591 ( 4.558 4.112 -1.062) 6.230 8.668 ( -1.220 2.333 1.082) 2.846 8.805 ( 0.249 5.367 -3.037) 6.172 9.040 ( 2.677 10.712 5.783) 12.464 9.151 ( 1.871 7.538 2.146) 8.057 9.263 ( -0.647 5.550 4.513) 7.183 9.439 ( -5.109 -3.237 5.362) 8.083 9.581 ( 3.796 0.037 4.151) 5.625 9.763 ( -6.234 2.726 -6.492) 9.404 9.952 ( 1.573 2.804 2.441) 4.037 10.075 ( -4.215 3.466 3.953) 6.738 10.109 ( 0.705 0.295 -4.497) 4.562 10.265 ( -3.893 -5.145 -4.154) 7.674 10.428 ( 5.842 1.831 -9.385) 11.205 10.491 ( 2.175 1.858 -7.831) 8.337 10.662 ( 5.087 5.997 0.305) 7.870 10.951 ( -6.979 2.540 -6.461) 9.844 11.305 ( 5.323 -4.487 -8.325) 10.853 11.434 ( -0.935 -8.453 -11.718) 14.479 11.899 ( 0.170 -2.436 4.285) 4.932 11.966 ( -2.731 -5.324 7.904) 9.913 12.532 ( 1.824 -0.204 -5.778) 6.063 12.613 ( -1.960 -5.793 -2.253) 6.517 12.865 ( 0.557 -0.104 -2.611) 2.671 12.887 ( -0.283 1.615 -6.420) 6.626 12.932 ( 0.747 -1.927 -2.874) 3.540 12.978 ( -1.389 3.154 -2.270) 4.127 13.481 ( 1.337 14.668 2.210) 14.893 13.562 ( -2.091 3.400 -0.787) 4.068 14.175 ( -0.970 -0.650 -5.775) 5.892 14.239 ( -3.299 -2.355 -4.512) 6.065 14.303 ( 3.322 -9.506 -5.557) 11.501 14.348 ( 1.361 -11.479 -2.761) 11.885 14.511 ( 5.537 -0.853 -8.169) 9.906 14.741 ( -4.439 -9.481 -12.317) 16.165 16.249 ( 6.041 4.275 -2.891) 7.945 16.450 ( 2.245 0.653 -4.707) 5.256 16.708 ( -3.545 9.480 -8.978) 13.529 17.058 ( -12.096 -2.648 0.314) 12.387 17.163 ( 8.017 -12.424 3.838) 15.276 17.431 ( -8.111 -4.172 -4.458) 10.152 17.979 ( 11.191 -0.269 -12.261) 16.603 18.242 ( -3.658 0.906 -10.289) 10.957 19.411 ( 7.460 12.508 21.305) 25.807 19.782 ( -1.325 -3.257 20.780) 21.076 19.990 ( -2.778 -3.645 10.781) 11.715 20.429 ( -22.373 9.979 5.017) 25.005 21.072 ( 5.454 -11.859 16.746) 21.232 21.272 ( -2.594 -3.762 6.401) 7.864 21.816 ( 24.028 -4.496 -8.663) 25.935 22.411 ( -7.004 -15.097 -9.717) 19.272 23.804 ( 1.606 -1.462 1.182) 2.473 23.885 ( -2.265 -0.019 -1.158) 2.544 23.987 ( 3.630 -2.160 -1.694) 4.551 24.242 ( -7.772 -9.400 -1.378) 12.275 25.031 ( 3.309 8.470 1.774) 9.265 25.169 ( -3.248 3.023 1.440) 4.665 25.548 ( 5.043 -2.926 -8.905) 10.644 25.707 ( -2.572 -5.341 -6.980) 9.158 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -2.843 15.670 25.568) 30.123 2.398 ( 2.843 15.670 25.568) 30.123 2.541 ( -12.032 8.940 21.780) 26.440 2.541 ( 12.032 8.940 21.780) 26.440 3.058 ( -14.275 3.770 -2.498) 14.974 3.058 ( 14.275 3.770 -2.498) 14.974 3.524 ( -2.736 -4.421 -8.304) 9.797 3.524 ( 2.736 -4.421 -8.304) 9.797 3.580 ( -11.331 2.437 0.999) 11.633 3.580 ( 11.331 2.437 0.999) 11.633 3.817 ( -5.853 5.387 -3.004) 8.503 3.817 ( 5.853 5.387 -3.004) 8.503 4.008 ( -8.142 -4.573 -1.195) 9.414 4.008 ( 8.142 -4.573 -1.195) 9.414 4.351 ( -6.464 -4.356 3.542) 8.562 4.351 ( 6.464 -4.356 3.542) 8.562 4.545 ( -3.861 2.794 -15.165) 15.896 4.545 ( 3.861 2.794 -15.165) 15.896 4.740 ( -9.590 1.210 -8.068) 12.591 4.740 ( 9.590 1.210 -8.068) 12.591 4.962 ( -9.263 4.516 14.354) 17.670 4.962 ( 9.263 4.516 14.354) 17.670 5.390 ( -10.079 8.434 4.989) 14.057 5.390 ( 10.079 8.434 4.989) 14.057 5.829 ( -2.611 -2.440 -2.601) 4.420 5.829 ( 2.611 -2.440 -2.601) 4.420 5.989 ( -3.381 -1.933 6.467) 7.549 5.989 ( 3.381 -1.933 6.467) 7.549 6.132 ( -4.148 4.306 2.846) 6.622 6.132 ( 4.148 4.306 2.846) 6.622 6.488 ( -5.845 4.858 2.274) 7.934 6.488 ( 5.845 4.858 2.274) 7.934 6.763 ( -3.985 3.519 4.597) 7.028 6.763 ( 3.985 3.519 4.597) 7.028 6.843 ( -8.807 -0.598 4.799) 10.048 6.843 ( 8.807 -0.598 4.799) 10.048 7.011 ( -7.360 -0.002 -5.083) 8.944 7.011 ( 7.360 -0.002 -5.083) 8.944 7.344 ( -7.966 3.650 -0.737) 8.793 7.344 ( 7.966 3.650 -0.737) 8.793 7.465 ( -8.500 -4.639 2.358) 9.967 7.465 ( 8.500 -4.639 2.358) 9.967 7.694 ( -7.137 -2.737 3.967) 8.611 7.694 ( 7.137 -2.737 3.967) 8.611 7.940 ( -7.063 1.646 -3.847) 8.210 7.940 ( 7.063 1.646 -3.847) 8.210 8.174 ( -7.206 5.791 4.853) 10.441 8.174 ( 7.206 5.791 4.853) 10.441 8.542 ( -6.235 -4.475 3.958) 8.635 8.542 ( 6.235 -4.475 3.958) 8.635 8.756 ( -5.728 6.724 -2.389) 9.150 8.756 ( 5.728 6.724 -2.389) 9.150 9.112 ( -4.796 12.015 2.902) 13.258 9.112 ( 4.796 12.015 2.902) 13.258 9.327 ( -6.734 -0.857 4.296) 8.033 9.327 ( 6.734 -0.857 4.296) 8.033 9.659 ( -5.097 1.433 -0.474) 5.315 9.659 ( 5.097 1.433 -0.474) 5.315 9.999 ( -3.826 2.512 3.522) 5.775 9.999 ( 3.826 2.512 3.522) 5.775 10.172 ( -5.498 -2.799 -4.479) 7.624 10.172 ( 5.498 -2.799 -4.479) 7.624 10.496 ( -1.869 2.385 -7.624) 8.204 10.496 ( 1.869 2.385 -7.624) 8.204 10.802 ( -9.409 4.745 -4.168) 11.332 10.802 ( 9.409 4.745 -4.168) 11.332 11.392 ( -3.956 -5.862 -9.861) 12.135 11.392 ( 3.956 -5.862 -9.861) 12.135 11.918 ( -2.147 -5.384 5.813) 8.209 11.918 ( 2.147 -5.384 5.813) 8.209 12.572 ( -2.496 -1.986 -4.199) 5.273 12.572 ( 2.496 -1.986 -4.199) 5.273 12.879 ( -0.751 -0.487 -3.573) 3.683 12.879 ( 0.751 -0.487 -3.573) 3.683 12.950 ( -1.497 2.066 -2.982) 3.924 12.950 ( 1.497 2.066 -2.982) 3.924 13.517 ( -2.662 8.458 1.117) 8.937 13.517 ( 2.662 8.458 1.117) 8.937 14.188 ( -2.183 0.308 -5.746) 6.154 14.188 ( 2.183 0.308 -5.746) 6.154 14.344 ( -1.429 -12.546 -4.890) 13.541 14.344 ( 1.429 -12.546 -4.890) 13.541 14.634 ( -7.301 -5.003 -9.629) 13.078 14.634 ( 7.301 -5.003 -9.629) 13.078 16.383 ( -8.092 1.911 -0.206) 8.317 16.383 ( 8.092 1.911 -0.206) 8.317 16.810 ( -13.306 6.565 -12.417) 19.348 16.810 ( 13.306 6.565 -12.417) 19.348 17.302 ( -7.389 -11.647 5.054) 14.690 17.302 ( 7.389 -11.647 5.054) 14.690 18.146 ( -7.456 0.917 -11.590) 13.811 18.146 ( 7.456 0.917 -11.590) 13.811 19.607 ( -13.861 4.977 22.421) 26.826 19.607 ( 13.861 4.977 22.421) 26.826 20.107 ( -13.743 3.895 8.941) 16.852 20.107 ( 13.743 3.895 8.941) 16.852 21.184 ( -6.468 -7.295 10.615) 14.412 21.184 ( 6.468 -7.295 10.615) 14.412 22.199 ( -17.536 -11.363 -10.939) 23.586 22.199 ( 17.536 -11.363 -10.939) 23.586 23.841 ( -2.472 -0.050 0.576) 2.539 23.841 ( 2.472 -0.050 0.576) 2.539 24.092 ( -8.061 -5.570 -1.938) 9.988 24.092 ( 8.061 -5.570 -1.938) 9.988 25.101 ( -4.253 5.766 1.909) 7.414 25.101 ( 4.253 5.766 1.909) 7.414 25.640 ( -4.850 -4.666 -7.960) 10.424 25.640 ( 4.850 -4.666 -7.960) 10.424 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 12.914 19.601) 23.473 2.750 ( 0.000 14.202 13.131) 19.342 2.796 ( 0.000 11.615 15.916) 19.703 2.863 ( 0.000 12.645 11.420) 17.039 3.135 ( 0.000 3.759 18.236) 18.619 3.187 ( 0.000 0.924 12.290) 12.324 3.358 ( 0.000 -6.729 -8.171) 10.585 3.401 ( 0.000 -4.073 -4.409) 6.002 3.500 ( 0.000 0.630 3.427) 3.485 3.732 ( 0.000 -3.017 2.684) 4.038 3.833 ( 0.000 -0.783 -1.369) 1.577 3.941 ( 0.000 0.209 -1.987) 1.998 3.957 ( 0.000 8.864 0.198) 8.866 4.006 ( 0.000 -3.997 -0.394) 4.017 4.170 ( 0.000 -0.319 -6.710) 6.718 4.346 ( 0.000 -1.437 -5.639) 5.819 4.425 ( 0.000 -5.804 18.392) 19.286 4.658 ( 0.000 -0.931 -9.914) 9.957 4.700 ( 0.000 5.282 -2.795) 5.976 4.885 ( 0.000 5.424 -16.692) 17.551 4.931 ( 0.000 -1.963 -19.084) 19.184 5.230 ( 0.000 14.472 -9.990) 17.586 5.238 ( 0.000 1.092 11.134) 11.187 5.571 ( 0.000 -5.837 -7.137) 9.220 5.855 ( 0.000 -1.077 11.171) 11.223 5.916 ( 0.000 -5.933 -6.961) 9.146 5.944 ( 0.000 4.663 -0.924) 4.754 6.064 ( 0.000 3.169 14.878) 15.212 6.115 ( 0.000 -0.714 3.095) 3.176 6.286 ( 0.000 3.665 -1.156) 3.843 6.391 ( 0.000 -3.796 -3.823) 5.388 6.491 ( 0.000 -1.177 7.522) 7.613 6.756 ( 0.000 4.948 16.670) 17.389 6.789 ( 0.000 2.116 -2.807) 3.515 6.811 ( 0.000 -0.860 -2.808) 2.937 6.915 ( 0.000 1.543 1.858) 2.415 7.064 ( 0.000 6.503 4.712) 8.031 7.230 ( 0.000 3.837 -10.570) 11.245 7.280 ( 0.000 3.076 6.241) 6.958 7.303 ( 0.000 6.507 1.730) 6.733 7.452 ( 0.000 -2.702 -0.705) 2.793 7.510 ( 0.000 -0.471 5.848) 5.867 7.700 ( 0.000 4.080 1.310) 4.285 7.758 ( 0.000 -1.062 6.031) 6.124 7.951 ( 0.000 0.688 8.934) 8.960 8.024 ( 0.000 -0.288 4.406) 4.415 8.075 ( 0.000 -0.343 -5.530) 5.541 8.174 ( 0.000 -4.101 6.432) 7.628 8.571 ( 0.000 7.444 -9.379) 11.974 8.698 ( 0.000 0.630 7.574) 7.600 8.729 ( 0.000 5.707 0.354) 5.718 8.867 ( 0.000 4.691 7.323) 8.697 9.166 ( 0.000 2.164 1.859) 2.853 9.176 ( 0.000 4.795 11.768) 12.708 9.392 ( 0.000 4.765 4.910) 6.842 9.558 ( 0.000 8.675 -6.355) 10.753 9.572 ( 0.000 3.236 6.434) 7.202 9.856 ( 0.000 -0.370 -17.720) 17.724 10.000 ( 0.000 3.595 8.469) 9.200 10.063 ( 0.000 -4.250 5.736) 7.139 10.072 ( 0.000 -9.573 0.798) 9.606 10.261 ( 0.000 -2.153 -4.236) 4.752 10.451 ( 0.000 9.827 -9.284) 13.519 10.516 ( 0.000 5.674 -4.008) 6.947 10.751 ( 0.000 5.259 0.807) 5.321 10.997 ( 0.000 -3.586 -7.269) 8.105 11.168 ( 0.000 -3.223 -4.541) 5.568 11.270 ( 0.000 -7.122 -11.314) 13.369 11.923 ( 0.000 1.909 3.747) 4.206 12.004 ( 0.000 5.167 6.074) 7.974 12.418 ( 0.000 -11.127 1.130) 11.184 12.458 ( 0.000 -7.303 0.283) 7.308 12.822 ( 0.000 -3.617 3.226) 4.847 12.848 ( 0.000 -0.589 0.806) 0.998 12.942 ( 0.000 1.309 -3.228) 3.483 13.032 ( 0.000 0.531 0.969) 1.105 13.635 ( 0.000 3.647 -4.175) 5.544 13.823 ( 0.000 15.224 -11.388) 19.012 13.939 ( 0.000 -14.316 -1.979) 14.452 14.114 ( 0.000 -5.491 -10.479) 11.831 14.207 ( 0.000 -3.225 -9.589) 10.117 14.366 ( 0.000 3.534 -7.520) 8.309 14.456 ( 0.000 -0.802 -14.098) 14.121 14.531 ( 0.000 -12.537 -12.653) 17.813 16.303 ( 0.000 5.741 -0.548) 5.767 16.491 ( 0.000 6.006 -6.530) 8.872 16.791 ( 0.000 -12.700 2.122) 12.876 16.970 ( 0.000 -9.783 11.408) 15.028 17.001 ( 0.000 11.907 -6.137) 13.396 17.685 ( 0.000 -9.613 -9.918) 13.812 17.741 ( 0.000 10.369 -23.198) 25.410 18.235 ( 0.000 -4.443 -14.328) 15.001 19.658 ( 0.000 15.852 25.452) 29.985 19.697 ( 0.000 -1.820 25.785) 25.849 19.918 ( 0.000 -5.642 17.604) 18.486 20.714 ( 0.000 -16.541 22.975) 28.310 20.883 ( 0.000 7.316 -0.962) 7.379 21.208 ( 0.000 -2.855 3.207) 4.294 21.607 ( 0.000 5.009 -4.526) 6.751 22.174 ( 0.000 -14.126 -6.634) 15.607 23.652 ( 0.000 -5.926 5.936) 8.388 23.796 ( 0.000 -10.241 4.849) 11.331 24.041 ( 0.000 6.164 -9.271) 11.133 24.214 ( 0.000 -2.044 -7.098) 7.387 25.164 ( 0.000 7.085 -0.083) 7.085 25.217 ( 0.000 0.840 1.019) 1.320 25.460 ( 0.000 -2.102 -7.889) 8.164 25.619 ( 0.000 -5.766 -6.198) 8.465 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 5.366 12.417 19.593) 23.809 2.730 ( -0.725 15.744 16.737) 22.989 2.775 ( -2.037 13.251 18.637) 22.958 2.889 ( -8.012 7.034 14.089) 17.668 2.994 ( 3.852 9.075 9.015) 13.359 3.311 ( -5.936 -0.390 -1.134) 6.055 3.377 ( 1.768 -5.990 -0.767) 6.292 3.401 ( 9.726 -1.111 6.011) 11.487 3.478 ( -2.203 -2.334 0.564) 3.259 3.692 ( -4.739 -6.578 7.416) 10.988 3.834 ( 0.758 3.492 -4.208) 5.521 3.906 ( -1.772 1.226 -2.905) 3.617 3.998 ( 2.641 8.151 -6.307) 10.639 4.031 ( 0.595 -3.632 -0.536) 3.719 4.152 ( 0.789 -2.881 -0.252) 2.997 4.348 ( -5.373 -5.491 10.484) 12.997 4.442 ( 6.452 -1.409 -2.822) 7.182 4.614 ( -1.907 -0.535 -7.022) 7.296 4.724 ( -1.781 1.186 -16.781) 16.917 4.841 ( -6.785 -5.488 -12.800) 15.492 4.957 ( 8.249 11.204 -5.515) 14.967 5.208 ( -1.115 10.995 -2.442) 11.318 5.362 ( 9.565 5.869 0.910) 11.259 5.629 ( 5.386 -3.881 -7.049) 9.682 5.777 ( -9.787 0.469 4.140) 10.637 5.860 ( -3.680 0.333 3.691) 5.223 5.880 ( -4.812 -3.852 -2.188) 6.541 6.000 ( -4.537 -2.216 9.111) 10.416 6.175 ( 4.774 4.009 3.864) 7.335 6.291 ( -0.604 4.347 1.401) 4.607 6.440 ( 4.745 -2.519 -3.078) 6.191 6.517 ( 2.108 -2.074 6.230) 6.896 6.759 ( -0.997 -0.518 3.941) 4.098 6.787 ( -0.971 2.453 2.512) 3.643 6.816 ( 2.887 1.291 7.092) 7.766 6.955 ( 3.434 3.752 0.515) 5.113 7.037 ( -3.551 7.418 6.933) 10.756 7.155 ( -6.653 -0.071 -7.929) 10.351 7.277 ( 0.902 3.247 3.890) 5.146 7.354 ( 5.196 5.035 0.837) 7.283 7.454 ( -1.421 -3.358 0.748) 3.722 7.521 ( 0.931 0.230 5.739) 5.819 7.661 ( -3.980 4.456 4.084) 7.237 7.735 ( -1.416 -1.424 3.286) 3.851 7.894 ( -1.672 1.451 0.167) 2.220 8.071 ( -1.939 2.440 -3.530) 4.709 8.097 ( 7.462 0.737 5.692) 9.414 8.305 ( 10.340 -4.442 6.830) 13.164 8.496 ( -8.998 7.931 -3.246) 12.426 8.584 ( -5.951 -1.380 1.473) 6.284 8.789 ( 3.341 6.383 7.088) 10.107 8.897 ( 1.469 3.467 3.840) 5.378 9.210 ( 4.624 1.901 0.448) 5.020 9.226 ( 4.940 6.724 9.552) 12.682 9.364 ( -3.033 3.541 5.251) 7.022 9.476 ( -6.395 6.731 2.107) 9.521 9.631 ( 4.165 4.730 -3.491) 7.205 9.812 ( -4.464 1.666 -12.388) 13.273 9.990 ( -0.913 -0.190 8.866) 8.915 10.023 ( -3.442 -5.569 3.036) 7.216 10.088 ( 1.649 -4.927 -0.984) 5.288 10.199 ( -4.613 0.627 -2.768) 5.416 10.502 ( 3.980 4.983 -6.921) 9.411 10.572 ( 3.209 6.121 -7.106) 9.913 10.772 ( 3.633 4.710 -0.264) 5.954 10.962 ( -3.590 -1.253 -5.280) 6.506 11.216 ( 4.216 -4.367 -5.619) 8.271 11.286 ( 1.260 -6.333 -11.218) 12.943 11.884 ( -3.011 0.451 4.280) 5.253 11.954 ( -4.916 3.245 5.446) 8.023 12.446 ( 2.431 -9.162 1.113) 9.544 12.472 ( 1.106 -6.561 0.409) 6.666 12.825 ( 0.306 -3.159 3.113) 4.445 12.840 ( -0.744 -1.068 1.311) 1.847 12.959 ( 1.819 1.346 -2.411) 3.307 13.023 ( -1.023 0.726 0.483) 1.344 13.637 ( 0.640 3.556 -3.604) 5.103 13.753 ( -5.420 7.861 -7.818) 12.341 14.011 ( 5.672 -7.644 -6.881) 11.745 14.135 ( 1.415 -5.890 -11.300) 12.821 14.190 ( -1.081 -2.131 -8.791) 9.109 14.307 ( -4.838 1.875 -9.165) 10.532 14.498 ( 2.985 -1.167 -12.339) 12.748 14.539 ( 0.592 -10.062 -12.818) 16.306 16.328 ( 2.767 3.518 1.239) 4.644 16.463 ( -3.156 0.455 0.520) 3.231 16.835 ( 5.353 -0.774 -9.138) 10.618 16.976 ( 0.130 -2.319 2.712) 3.571 17.029 ( 3.172 0.799 3.096) 4.504 17.407 ( -17.590 -0.387 -11.543) 21.043 17.961 ( 11.584 -0.476 -17.564) 21.046 18.207 ( -3.135 -4.010 -14.714) 15.569 19.629 ( 0.225 7.035 24.852) 25.830 19.751 ( -1.193 -0.054 27.802) 27.828 19.951 ( 8.505 2.560 15.711) 18.047 20.574 ( -19.596 2.037 16.384) 25.624 20.857 ( 6.974 -7.113 5.911) 11.583 21.180 ( -5.812 -5.734 4.533) 9.338 21.777 ( 15.300 0.341 -6.152) 16.494 22.147 ( -3.672 -12.014 -7.124) 14.442 23.671 ( 2.149 -6.454 5.891) 8.999 23.773 ( -2.411 -9.272 4.970) 10.792 24.058 ( 1.873 5.170 -8.745) 10.330 24.177 ( -3.718 -0.322 -7.329) 8.225 25.173 ( 0.939 6.176 0.109) 6.248 25.210 ( -0.771 1.796 0.859) 2.135 25.489 ( 2.968 -3.049 -7.644) 8.749 25.600 ( -2.081 -5.475 -6.464) 8.723 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -9.352 11.956 20.282) 25.333 2.696 ( 9.352 11.956 20.282) 25.333 2.743 ( -2.337 13.578 17.692) 22.424 2.743 ( 2.337 13.578 17.692) 22.424 3.150 ( -10.314 5.451 1.555) 11.769 3.150 ( 10.314 5.451 1.555) 11.769 3.425 ( -3.411 -4.623 -1.838) 6.032 3.425 ( 3.411 -4.623 -1.838) 6.032 3.572 ( -8.580 -4.980 7.796) 12.617 3.572 ( 8.580 -4.980 7.796) 12.617 3.871 ( -2.772 2.266 -1.514) 3.887 3.871 ( 2.772 2.266 -1.514) 3.887 4.022 ( -0.876 2.874 -8.753) 9.255 4.022 ( 0.876 2.874 -8.753) 9.255 4.231 ( -6.750 -4.918 8.410) 11.852 4.231 ( 6.750 -4.918 8.410) 11.852 4.562 ( -5.386 -1.406 -6.152) 8.296 4.562 ( 5.386 -1.406 -6.152) 8.296 4.725 ( -4.043 -2.625 -16.532) 17.221 4.725 ( 4.043 -2.625 -16.532) 17.221 5.129 ( -8.482 11.535 -0.265) 14.320 5.129 ( 8.482 11.535 -0.265) 14.320 5.550 ( -12.007 6.532 0.228) 13.670 5.550 ( 12.007 6.532 0.228) 13.670 5.752 ( -6.504 -3.957 -5.078) 9.151 5.752 ( 6.504 -3.957 -5.078) 9.151 5.909 ( -5.069 -4.953 7.889) 10.605 5.909 ( 5.069 -4.953 7.889) 10.605 6.253 ( -3.622 6.352 3.552) 8.129 6.253 ( 3.622 6.352 3.552) 8.129 6.518 ( -2.869 -2.626 0.401) 3.910 6.518 ( 2.869 -2.626 0.401) 3.910 6.752 ( -1.496 -0.990 1.821) 2.556 6.752 ( 1.496 -0.990 1.821) 2.556 6.921 ( -7.616 4.760 10.278) 13.649 6.921 ( 7.616 4.760 10.278) 13.649 7.044 ( -5.888 3.147 -2.818) 7.246 7.044 ( 5.888 3.147 -2.818) 7.246 7.337 ( -5.579 -2.056 2.645) 6.507 7.337 ( 5.579 -2.056 2.645) 6.507 7.499 ( -4.846 4.201 2.083) 6.743 7.499 ( 4.846 4.201 2.083) 6.743 7.664 ( -4.565 0.989 3.980) 6.137 7.664 ( 4.565 0.989 3.980) 6.137 7.963 ( -7.867 0.858 -3.462) 8.637 7.963 ( 7.867 0.858 -3.462) 8.637 8.290 ( -12.472 4.724 2.486) 13.566 8.290 ( 12.472 4.724 2.486) 13.566 8.474 ( -7.688 -1.981 5.419) 9.612 8.474 ( 7.688 -1.981 5.419) 9.612 8.868 ( -4.475 4.700 3.805) 7.523 8.868 ( 4.475 4.700 3.805) 7.523 9.292 ( -3.675 3.351 -0.187) 4.976 9.292 ( 3.675 3.351 -0.187) 4.976 9.347 ( -7.220 6.058 8.205) 12.496 9.347 ( 7.220 6.058 8.205) 12.496 9.719 ( -5.619 4.210 -7.397) 10.199 9.719 ( 5.619 4.210 -7.397) 10.199 9.983 ( -0.686 -5.191 5.209) 7.386 9.983 ( 0.686 -5.191 5.209) 7.386 10.130 ( -3.154 -0.051 -1.436) 3.466 10.130 ( 3.154 -0.051 -1.436) 3.466 10.567 ( -2.868 4.408 -7.261) 8.965 10.567 ( 2.868 4.408 -7.261) 8.965 10.875 ( -6.294 2.726 -2.854) 7.429 10.875 ( 6.294 2.726 -2.854) 7.429 11.281 ( -2.403 -5.529 -8.719) 10.600 11.281 ( 2.403 -5.529 -8.719) 10.600 11.875 ( -2.701 0.505 4.852) 5.576 11.875 ( 2.701 0.505 4.852) 5.576 12.478 ( -0.795 -6.838 0.763) 6.927 12.478 ( 0.795 -6.838 0.763) 6.927 12.830 ( -0.324 -2.086 2.439) 3.226 12.830 ( 0.324 -2.086 2.439) 3.226 12.996 ( -2.031 1.133 -0.813) 2.464 12.996 ( 2.031 1.133 -0.813) 2.464 13.671 ( -3.438 4.685 -4.772) 7.519 13.671 ( 3.438 4.685 -4.772) 7.519 14.103 ( -4.317 -6.518 -10.642) 13.205 14.103 ( 4.317 -6.518 -10.642) 13.205 14.224 ( -4.178 0.263 -8.956) 9.886 14.224 ( 4.178 0.263 -8.956) 9.886 14.536 ( -1.173 -5.047 -12.417) 13.454 14.536 ( 1.173 -5.047 -12.417) 13.454 16.393 ( -4.317 -0.688 3.993) 5.920 16.393 ( 4.317 -0.688 3.993) 5.920 16.944 ( -4.667 5.906 -10.827) 13.187 16.944 ( 4.667 5.906 -10.827) 13.187 17.140 ( -11.104 -4.406 0.956) 11.984 17.140 ( 11.104 -4.406 0.956) 11.984 18.121 ( -6.852 -2.761 -15.963) 17.589 18.121 ( 6.852 -2.761 -15.963) 17.589 19.675 ( -4.661 1.881 25.659) 26.147 19.675 ( 4.661 1.881 25.659) 26.147 20.214 ( -19.261 6.952 15.638) 25.765 20.214 ( 19.261 6.952 15.638) 25.765 21.027 ( -10.447 -8.556 6.648) 15.051 21.027 ( 10.447 -8.556 6.648) 15.051 22.022 ( -10.963 -6.813 -7.466) 14.911 22.022 ( 10.963 -6.813 -7.466) 14.911 23.721 ( -3.231 -7.728 5.531) 10.038 23.721 ( 3.231 -7.728 5.531) 10.038 24.107 ( -3.699 2.862 -7.945) 9.220 24.107 ( 3.699 2.862 -7.945) 9.220 25.192 ( -1.188 3.992 0.501) 4.195 25.192 ( 1.188 3.992 0.501) 4.195 25.549 ( -3.522 -4.556 -7.065) 9.115 25.549 ( 3.522 -4.556 -7.065) 9.115 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 0.000 10.939 15.313) 18.819 2.894 ( 0.000 -2.019 13.184) 13.338 3.026 ( 0.000 10.959 9.062) 14.221 3.055 ( 0.000 5.199 5.961) 7.910 3.204 ( 0.000 1.601 6.444) 6.640 3.229 ( 0.000 5.639 12.381) 13.605 3.278 ( 0.000 1.048 2.894) 3.078 3.334 ( 0.000 -2.282 3.716) 4.360 3.478 ( 0.000 -5.293 9.801) 11.139 3.500 ( 0.000 -14.053 10.901) 17.785 3.859 ( 0.000 6.226 9.000) 10.944 3.988 ( 0.000 3.468 -3.619) 5.012 3.996 ( 0.000 -1.163 0.049) 1.164 4.064 ( 0.000 -6.711 0.748) 6.752 4.171 ( 0.000 7.489 0.823) 7.534 4.299 ( 0.000 -4.363 -2.473) 5.016 4.443 ( 0.000 7.327 3.636) 8.179 4.589 ( 0.000 -5.915 -6.317) 8.654 4.730 ( 0.000 -0.114 -21.371) 21.372 4.782 ( 0.000 -6.141 -20.247) 21.158 5.089 ( 0.000 9.792 -20.978) 23.151 5.248 ( 0.000 -4.776 -8.945) 10.140 5.502 ( 0.000 12.398 -8.418) 14.986 5.547 ( 0.000 5.758 7.675) 9.595 5.767 ( 0.000 -7.158 8.246) 10.919 5.770 ( 0.000 -8.444 -9.410) 12.643 6.061 ( 0.000 7.510 -1.811) 7.725 6.091 ( 0.000 -0.730 5.124) 5.176 6.096 ( 0.000 -0.256 11.842) 11.845 6.222 ( 0.000 -8.054 -2.500) 8.433 6.364 ( 0.000 1.923 3.161) 3.700 6.434 ( 0.000 -4.029 8.533) 9.437 6.818 ( 0.000 1.907 -5.702) 6.012 6.835 ( 0.000 1.170 -6.696) 6.797 6.881 ( 0.000 4.220 16.287) 16.825 6.914 ( 0.000 -0.785 10.593) 10.622 7.185 ( 0.000 6.387 4.934) 8.071 7.281 ( 0.000 -0.865 1.062) 1.370 7.315 ( 0.000 1.209 -0.893) 1.503 7.353 ( 0.000 -1.305 -3.789) 4.008 7.473 ( 0.000 3.196 4.202) 5.280 7.500 ( 0.000 -0.136 4.954) 4.956 7.766 ( 0.000 2.164 2.562) 3.353 7.770 ( 0.000 1.373 4.027) 4.254 7.975 ( 0.000 1.042 10.233) 10.286 7.998 ( 0.000 -1.861 5.276) 5.595 8.077 ( 0.000 1.277 -4.301) 4.487 8.119 ( 0.000 -2.326 4.604) 5.158 8.672 ( 0.000 3.340 -7.325) 8.051 8.734 ( 0.000 -2.744 -6.914) 7.438 8.790 ( 0.000 7.689 8.239) 11.270 8.902 ( 0.000 -2.390 13.082) 13.298 9.197 ( 0.000 1.308 12.109) 12.179 9.215 ( 0.000 -0.089 13.129) 13.130 9.555 ( 0.000 10.298 -9.320) 13.889 9.634 ( 0.000 2.501 1.884) 3.131 9.700 ( 0.000 3.930 -4.334) 5.850 9.786 ( 0.000 -6.657 -11.513) 13.299 9.922 ( 0.000 -2.892 5.650) 6.347 9.971 ( 0.000 -4.863 6.153) 7.842 10.090 ( 0.000 5.345 4.515) 6.997 10.192 ( 0.000 -4.822 0.096) 4.823 10.617 ( 0.000 6.313 -9.579) 11.472 10.635 ( 0.000 4.530 -4.182) 6.165 10.825 ( 0.000 2.646 0.145) 2.650 10.899 ( 0.000 -5.548 -6.017) 8.185 11.135 ( 0.000 -0.094 -7.111) 7.111 11.168 ( 0.000 -3.514 -9.933) 10.536 11.999 ( 0.000 6.524 4.814) 8.108 12.140 ( 0.000 8.290 4.771) 9.564 12.181 ( 0.000 -11.801 4.545) 12.647 12.308 ( 0.000 -8.582 3.088) 9.121 12.813 ( 0.000 3.004 3.758) 4.811 12.896 ( 0.000 5.040 2.586) 5.665 12.905 ( 0.000 -4.897 1.588) 5.148 12.996 ( 0.000 -4.018 2.742) 4.864 13.676 ( 0.000 0.899 -4.903) 4.985 13.728 ( 0.000 -6.402 -3.022) 7.080 14.031 ( 0.000 6.064 -15.279) 16.438 14.074 ( 0.000 -0.072 -15.989) 15.989 14.180 ( 0.000 1.442 -13.864) 13.939 14.287 ( 0.000 -9.372 -15.503) 18.116 14.423 ( 0.000 2.582 -9.612) 9.953 14.463 ( 0.000 -1.266 -11.926) 11.993 16.419 ( 0.000 6.712 0.787) 6.758 16.575 ( 0.000 -9.584 1.348) 9.678 16.632 ( 0.000 8.088 -0.357) 8.095 16.794 ( 0.000 -8.595 6.199) 10.597 17.237 ( 0.000 12.406 -8.798) 15.209 17.474 ( 0.000 -11.880 -10.526) 15.872 17.940 ( 0.000 9.927 -21.466) 23.650 18.114 ( 0.000 -7.846 -18.322) 19.931 19.694 ( 0.000 1.529 28.988) 29.028 19.751 ( 0.000 -3.784 29.111) 29.356 20.047 ( 0.000 16.707 20.641) 26.555 20.383 ( 0.000 -17.451 21.957) 28.047 21.018 ( 0.000 6.497 0.247) 6.501 21.131 ( 0.000 -5.064 1.472) 5.274 21.737 ( 0.000 8.305 -4.449) 9.421 21.927 ( 0.000 -11.351 -5.265) 12.513 23.590 ( 0.000 -0.420 6.769) 6.782 23.638 ( 0.000 -5.477 6.449) 8.461 24.130 ( 0.000 3.305 -9.806) 10.348 24.179 ( 0.000 -1.983 -9.553) 9.756 25.243 ( 0.000 1.721 0.016) 1.721 25.256 ( 0.000 1.725 -0.471) 1.788 25.442 ( 0.000 1.285 -6.909) 7.027 25.512 ( 0.000 -5.089 -6.160) 7.990 ======================= Grid point 156 (59/90) ======================= q-point: ( 0.25 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 3.264 9.433 14.601) 17.687 2.899 ( -0.018 -0.175 11.576) 11.577 2.969 ( -2.985 6.072 11.676) 13.494 3.056 ( -3.515 8.073 11.066) 14.142 3.175 ( 1.949 8.000 6.919) 10.756 3.277 ( 1.699 0.158 2.579) 3.092 3.328 ( 2.983 2.326 8.489) 9.293 3.350 ( 2.834 -3.733 3.425) 5.805 3.424 ( -2.253 -6.392 10.137) 12.194 3.533 ( -0.142 -7.409 11.608) 13.772 3.819 ( -2.174 1.283 4.910) 5.521 3.930 ( -4.632 -3.098 2.237) 6.005 4.034 ( 1.467 2.011 -2.627) 3.619 4.046 ( -0.963 -2.136 -0.355) 2.370 4.203 ( 3.138 7.283 -0.906) 7.982 4.325 ( -0.216 -0.654 -4.890) 4.938 4.409 ( 0.452 0.518 2.117) 2.226 4.569 ( -2.501 -2.967 -1.807) 4.281 4.697 ( -3.295 -3.122 -18.320) 18.874 4.731 ( -4.988 -3.597 -21.864) 22.712 5.169 ( 9.776 9.441 -16.719) 21.546 5.359 ( 9.134 -2.147 -11.305) 14.691 5.490 ( -1.724 10.979 -8.787) 14.168 5.608 ( 5.690 3.947 2.346) 7.312 5.714 ( -5.867 -8.211 -11.283) 15.138 5.745 ( -0.903 -5.693 9.765) 11.340 5.933 ( -9.360 3.083 0.989) 9.904 5.960 ( -8.322 -1.308 11.402) 14.176 6.247 ( 8.811 2.624 3.091) 9.699 6.296 ( 5.257 -2.839 0.618) 6.007 6.390 ( 2.222 0.422 3.010) 3.765 6.455 ( 1.189 -4.265 7.425) 8.645 6.739 ( -2.942 -0.653 -1.967) 3.599 6.829 ( -2.969 2.702 2.119) 4.540 6.875 ( 0.720 1.157 11.096) 11.180 7.017 ( 7.104 1.968 4.087) 8.429 7.141 ( -9.691 -0.477 -2.769) 10.090 7.183 ( -2.272 7.363 7.149) 10.511 7.295 ( -1.876 -2.979 5.500) 6.530 7.369 ( -2.592 -1.427 0.206) 2.966 7.485 ( 4.184 3.235 1.882) 5.614 7.528 ( 1.989 0.848 5.211) 5.642 7.725 ( -3.618 1.756 4.799) 6.261 7.737 ( -0.142 0.533 1.567) 1.662 7.942 ( -3.983 2.848 -0.490) 4.921 8.077 ( 9.344 -1.705 -4.510) 10.515 8.125 ( -0.683 1.936 3.959) 4.460 8.239 ( 12.368 -2.213 9.750) 15.904 8.570 ( -5.665 -0.122 -2.156) 6.063 8.612 ( -11.655 3.343 -4.454) 12.917 8.877 ( 3.991 3.343 9.221) 10.589 8.924 ( 1.968 -0.876 13.018) 13.195 9.227 ( 4.610 0.644 3.449) 5.793 9.296 ( 6.337 0.922 15.878) 17.121 9.496 ( -5.869 7.887 -11.806) 15.364 9.580 ( -5.360 3.233 2.506) 6.742 9.729 ( 2.824 3.571 -7.606) 8.864 9.789 ( 0.959 -4.076 -6.511) 7.741 9.893 ( -3.159 -3.868 1.231) 5.144 9.925 ( -4.544 -3.745 9.747) 11.387 10.111 ( 1.945 3.820 3.151) 5.320 10.178 ( -1.474 -2.631 1.264) 3.270 10.601 ( 0.893 4.024 -7.118) 8.225 10.678 ( -0.311 3.383 -9.452) 10.044 10.829 ( 3.842 1.137 0.481) 4.035 10.926 ( 1.138 -1.444 -4.320) 4.695 11.147 ( 1.550 -2.269 -7.243) 7.747 11.200 ( 2.034 -2.461 -10.411) 10.889 11.918 ( -5.041 2.376 4.999) 7.486 12.032 ( -8.070 3.247 5.711) 10.406 12.281 ( 6.106 -5.480 2.919) 8.708 12.345 ( 2.311 -5.663 4.217) 7.429 12.820 ( 0.812 2.855 3.692) 4.737 12.866 ( -1.785 2.184 2.393) 3.699 12.937 ( 2.002 -2.272 1.759) 3.502 12.990 ( -0.739 -3.856 2.717) 4.775 13.655 ( -1.020 -0.822 -2.974) 3.250 13.712 ( -2.306 -4.237 -5.116) 7.032 14.053 ( 2.602 4.614 -14.928) 15.840 14.105 ( 1.983 1.564 -17.258) 17.442 14.176 ( 0.620 0.743 -12.375) 12.413 14.293 ( -1.552 -4.521 -11.755) 12.689 14.404 ( 0.816 -1.515 -13.196) 13.307 14.476 ( 0.005 -1.289 -13.144) 13.207 16.383 ( -2.454 2.134 3.856) 5.044 16.454 ( -6.908 -1.338 5.239) 8.773 16.780 ( 11.096 -1.724 -3.059) 11.638 16.915 ( 10.962 -2.094 3.178) 11.604 17.178 ( -6.713 9.171 -9.336) 14.708 17.353 ( -11.549 -5.481 -10.747) 16.700 17.995 ( 4.766 4.136 -19.725) 20.710 18.106 ( -1.080 -5.920 -17.987) 18.967 19.686 ( -0.478 1.547 27.461) 27.509 19.725 ( -2.340 -2.397 28.235) 28.433 20.140 ( 9.724 13.938 21.474) 27.385 20.423 ( 2.158 -13.494 24.220) 27.809 20.888 ( -8.739 6.009 -1.425) 10.701 21.057 ( -8.963 -6.363 2.279) 11.226 21.820 ( 7.641 3.691 -5.440) 10.080 21.954 ( 1.568 -7.596 -5.589) 9.560 23.596 ( 0.752 -1.235 6.799) 6.951 23.633 ( -0.675 -4.575 6.605) 8.063 24.131 ( 0.291 2.514 -9.613) 9.940 24.168 ( -1.208 -0.935 -9.505) 9.627 25.247 ( 0.395 1.737 -0.127) 1.786 25.259 ( 0.149 2.198 -0.358) 2.232 25.449 ( 0.978 -0.198 -6.854) 6.926 25.503 ( -1.081 -4.251 -6.360) 7.725 ======================= Grid point 157 (60/90) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -4.369 4.973 11.914) 13.630 2.853 ( 4.369 4.973 11.914) 13.630 2.980 ( -3.559 7.004 14.389) 16.394 2.980 ( 3.559 7.004 14.389) 16.395 3.242 ( -4.224 4.209 3.149) 6.743 3.242 ( 4.224 4.209 3.149) 6.743 3.371 ( -1.519 -3.877 7.742) 8.791 3.371 ( 1.519 -3.877 7.742) 8.791 3.468 ( -5.971 -0.597 9.731) 11.432 3.468 ( 5.971 -0.597 9.731) 11.432 3.842 ( -4.362 -6.033 3.039) 8.041 3.842 ( 4.362 -6.033 3.039) 8.041 4.042 ( -0.203 1.868 -1.553) 2.437 4.042 ( 0.203 1.868 -1.553) 2.437 4.267 ( -4.045 5.424 -4.794) 8.292 4.267 ( 4.045 5.424 -4.794) 8.292 4.493 ( -6.039 -4.640 3.161) 8.245 4.493 ( 6.039 -4.640 3.161) 8.245 4.667 ( -1.114 -2.285 -21.165) 21.317 4.667 ( 1.114 -2.285 -21.165) 21.317 5.361 ( -9.542 11.221 -12.678) 19.435 5.361 ( 9.542 11.221 -12.678) 19.435 5.556 ( -9.528 -5.387 -11.150) 15.625 5.556 ( 9.528 -5.387 -11.150) 15.625 5.730 ( -5.520 -0.133 -3.244) 6.404 5.730 ( 5.520 -0.133 -3.244) 6.404 5.840 ( -3.646 -0.829 14.918) 15.379 5.840 ( 3.646 -0.829 14.918) 15.379 6.350 ( -1.034 3.241 4.227) 5.426 6.350 ( 1.034 3.241 4.227) 5.426 6.432 ( -3.197 -4.123 1.018) 5.316 6.432 ( 3.197 -4.123 1.018) 5.316 6.754 ( -3.980 0.555 3.456) 5.300 6.754 ( 3.980 0.555 3.456) 5.300 6.952 ( -8.178 -0.541 4.467) 9.335 6.952 ( 8.178 -0.541 4.467) 9.335 7.137 ( -4.550 5.149 5.428) 8.757 7.137 ( 4.550 5.149 5.428) 8.757 7.291 ( -3.217 -2.864 4.077) 5.930 7.291 ( 3.217 -2.864 4.077) 5.930 7.551 ( -0.800 1.573 3.954) 4.330 7.551 ( 0.800 1.573 3.954) 4.330 7.722 ( -2.300 2.836 1.774) 4.059 7.722 ( 2.300 2.836 1.774) 4.059 7.968 ( -8.313 -0.213 -3.949) 9.206 7.968 ( 8.313 -0.213 -3.949) 9.206 8.337 ( -11.801 0.783 3.048) 12.213 8.337 ( 11.801 0.783 3.048) 12.213 8.468 ( -5.402 0.473 2.177) 5.843 8.468 ( 5.402 0.473 2.177) 5.843 8.929 ( -2.119 1.522 11.582) 11.872 8.929 ( 2.119 1.522 11.582) 11.872 9.327 ( -5.334 1.283 3.579) 6.551 9.327 ( 5.334 1.283 3.579) 6.551 9.469 ( -5.800 4.626 -1.150) 7.508 9.469 ( 5.800 4.626 -1.150) 7.508 9.792 ( -3.296 2.374 -10.883) 11.616 9.792 ( 3.296 2.374 -10.883) 11.616 9.855 ( -1.993 -5.560 9.090) 10.841 9.855 ( 1.993 -5.560 9.090) 10.841 10.146 ( -2.019 0.805 2.651) 3.428 10.146 ( 2.019 0.805 2.651) 3.428 10.638 ( -2.835 2.242 -8.041) 8.816 10.638 ( 2.835 2.242 -8.041) 8.816 10.912 ( -3.226 1.183 -2.691) 4.364 10.912 ( 3.226 1.183 -2.691) 4.364 11.191 ( -2.795 -3.113 -8.839) 9.779 11.191 ( 2.795 -3.113 -8.839) 9.779 11.910 ( -4.418 1.996 5.313) 7.192 11.910 ( 4.418 1.996 5.313) 7.192 12.353 ( -1.785 -4.633 3.827) 6.269 12.353 ( 1.785 -4.633 3.827) 6.269 12.839 ( -1.291 2.649 2.927) 4.153 12.839 ( 1.291 2.649 2.927) 4.153 12.969 ( -1.619 -3.311 2.273) 4.330 12.969 ( 1.619 -3.311 2.273) 4.330 13.665 ( -2.176 -2.306 -3.774) 4.929 13.665 ( 2.176 -2.306 -3.774) 4.929 14.101 ( -2.131 3.464 -17.114) 17.591 14.101 ( 2.131 3.464 -17.114) 17.591 14.228 ( -4.480 -0.448 -9.846) 10.826 14.228 ( 4.480 -0.448 -9.846) 10.826 14.450 ( -2.810 -3.099 -14.977) 15.551 14.450 ( 2.810 -3.099 -14.977) 15.551 16.374 ( -1.922 -0.794 6.533) 6.855 16.374 ( 1.922 -0.794 6.533) 6.855 16.989 ( -11.146 -0.161 -0.856) 11.180 16.989 ( 11.146 -0.161 -0.856) 11.180 17.140 ( -11.280 2.084 -10.540) 15.578 17.140 ( 11.280 2.084 -10.540) 15.578 18.069 ( -3.233 -1.868 -18.156) 18.536 18.069 ( 3.233 -1.868 -18.156) 18.536 19.691 ( -1.198 0.140 26.924) 26.951 19.691 ( 1.198 0.140 26.924) 26.951 20.341 ( -11.094 4.746 23.408) 26.335 20.341 ( 11.094 4.746 23.408) 26.335 20.883 ( -8.056 -5.034 0.575) 9.517 20.883 ( 8.056 -5.034 0.575) 9.517 21.935 ( -4.228 -2.205 -6.024) 7.683 21.935 ( 4.228 -2.205 -6.024) 7.683 23.615 ( -1.237 -2.864 6.798) 7.479 23.615 ( 1.237 -2.864 6.798) 7.479 24.144 ( -1.194 0.918 -9.441) 9.560 24.144 ( 1.194 0.918 -9.441) 9.560 25.256 ( -0.493 2.188 -0.270) 2.259 25.256 ( 0.493 2.188 -0.270) 2.259 25.476 ( -1.805 -2.520 -6.666) 7.351 25.476 ( 1.805 -2.520 -6.666) 7.351 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 0.000 0.000 14.015) 14.015 2.534 ( 0.000 0.000 22.282) 22.282 2.641 ( 0.000 0.000 14.590) 14.590 2.723 ( 0.000 0.000 20.523) 20.523 3.073 ( 0.000 0.000 -17.808) 17.808 3.157 ( 0.000 0.000 -5.149) 5.149 3.180 ( 0.000 0.000 -1.374) 1.374 3.317 ( 0.000 0.000 -7.594) 7.594 3.416 ( 0.000 0.000 -1.233) 1.233 3.495 ( 0.000 0.000 -7.582) 7.582 3.556 ( 0.000 0.000 -4.671) 4.671 3.617 ( 0.000 0.000 -9.493) 9.493 3.900 ( 0.000 0.000 -10.423) 10.423 3.946 ( 0.000 0.000 8.378) 8.378 3.985 ( 0.000 0.000 -18.549) 18.549 4.266 ( 0.000 0.000 -6.403) 6.403 4.303 ( 0.000 0.000 -1.880) 1.880 4.343 ( 0.000 0.000 -9.967) 9.967 4.841 ( 0.000 0.000 16.204) 16.204 5.134 ( 0.000 0.000 17.567) 17.567 5.170 ( 0.000 0.000 2.013) 2.013 5.209 ( 0.000 0.000 19.186) 19.186 5.688 ( 0.000 0.000 14.947) 14.947 5.700 ( 0.000 0.000 9.439) 9.439 5.829 ( 0.000 0.000 6.900) 6.900 5.834 ( 0.000 0.000 -1.157) 1.157 5.875 ( 0.000 0.000 6.552) 6.552 5.991 ( 0.000 0.000 -2.385) 2.385 6.048 ( 0.000 0.000 6.463) 6.463 6.289 ( 0.000 0.000 3.820) 3.820 6.367 ( 0.000 0.000 -9.687) 9.687 6.472 ( 0.000 0.000 -1.385) 1.385 6.605 ( 0.000 0.000 -5.890) 5.890 6.635 ( 0.000 0.000 10.674) 10.674 6.775 ( 0.000 0.000 -14.914) 14.914 6.926 ( 0.000 0.000 -0.960) 0.960 7.083 ( 0.000 0.000 12.024) 12.024 7.131 ( 0.000 0.000 7.049) 7.049 7.238 ( 0.000 0.000 0.553) 0.553 7.338 ( 0.000 0.000 -0.096) 0.096 7.482 ( 0.000 0.000 0.853) 0.853 7.551 ( 0.000 0.000 -1.906) 1.906 7.609 ( 0.000 0.000 -7.055) 7.055 7.647 ( 0.000 0.000 -14.899) 14.899 7.879 ( 0.000 0.000 -0.863) 0.863 7.905 ( 0.000 0.000 -7.784) 7.784 8.181 ( 0.000 0.000 6.836) 6.836 8.375 ( 0.000 0.000 -1.410) 1.410 8.395 ( 0.000 0.000 -5.603) 5.603 8.476 ( 0.000 0.000 -7.194) 7.194 8.530 ( 0.000 0.000 6.553) 6.553 8.669 ( 0.000 0.000 0.194) 0.194 8.953 ( 0.000 0.000 10.618) 10.618 8.996 ( 0.000 0.000 9.155) 9.155 9.149 ( 0.000 0.000 -2.368) 2.368 9.505 ( 0.000 0.000 -12.481) 12.481 9.724 ( 0.000 0.000 0.169) 0.169 9.884 ( 0.000 0.000 4.745) 4.745 9.906 ( 0.000 0.000 -4.942) 4.942 9.912 ( 0.000 0.000 3.038) 3.038 9.935 ( 0.000 0.000 4.234) 4.234 10.037 ( 0.000 0.000 -4.406) 4.406 10.391 ( 0.000 0.000 0.193) 0.193 10.512 ( 0.000 0.000 7.624) 7.624 10.627 ( 0.000 0.000 -9.106) 9.106 10.694 ( 0.000 0.000 6.330) 6.330 11.014 ( 0.000 0.000 -15.474) 15.474 11.379 ( 0.000 0.000 -19.333) 19.333 12.175 ( 0.000 0.000 0.591) 0.591 12.268 ( 0.000 0.000 0.353) 0.353 12.339 ( 0.000 0.000 -7.727) 7.727 12.546 ( 0.000 0.000 5.521) 5.521 12.584 ( 0.000 0.000 1.658) 1.658 12.601 ( 0.000 0.000 -13.617) 13.617 12.757 ( 0.000 0.000 -4.657) 4.657 12.779 ( 0.000 0.000 -5.099) 5.099 13.487 ( 0.000 0.000 10.246) 10.246 13.879 ( 0.000 0.000 -8.641) 8.641 13.954 ( 0.000 0.000 10.928) 10.928 14.268 ( 0.000 0.000 -4.068) 4.068 14.491 ( 0.000 0.000 6.315) 6.315 14.562 ( 0.000 0.000 0.981) 0.981 14.714 ( 0.000 0.000 -5.627) 5.627 14.777 ( 0.000 0.000 -1.167) 1.167 16.029 ( 0.000 0.000 -0.687) 0.687 16.170 ( 0.000 0.000 -7.478) 7.478 16.534 ( 0.000 0.000 0.959) 0.959 16.919 ( 0.000 0.000 -18.507) 18.507 17.580 ( 0.000 0.000 -0.593) 0.593 17.589 ( 0.000 0.000 0.791) 0.791 17.974 ( 0.000 0.000 4.941) 4.941 18.048 ( 0.000 0.000 -2.266) 2.266 19.339 ( 0.000 0.000 17.822) 17.822 19.952 ( 0.000 0.000 -11.466) 11.466 20.157 ( 0.000 0.000 11.832) 11.832 20.485 ( 0.000 0.000 -3.706) 3.706 21.416 ( 0.000 0.000 1.627) 1.627 21.459 ( 0.000 0.000 -3.541) 3.541 21.756 ( 0.000 0.000 19.991) 19.991 22.566 ( 0.000 0.000 -22.043) 22.043 23.582 ( 0.000 0.000 11.144) 11.144 24.073 ( 0.000 0.000 -11.970) 11.970 24.106 ( 0.000 0.000 11.754) 11.754 24.631 ( 0.000 0.000 -14.559) 14.559 24.847 ( 0.000 0.000 11.085) 11.085 25.216 ( 0.000 0.000 13.108) 13.108 25.292 ( 0.000 0.000 -11.215) 11.215 25.684 ( 0.000 0.000 -10.034) 10.034 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 0.970 0.000 17.574) 17.600 2.597 ( 7.104 0.000 20.771) 21.953 2.645 ( -6.552 0.000 19.253) 20.337 2.733 ( 9.162 0.000 10.312) 13.794 3.012 ( -11.414 0.000 3.144) 11.840 3.136 ( 1.175 0.000 -11.025) 11.088 3.159 ( -8.122 0.000 -5.067) 9.573 3.269 ( -3.806 0.000 -16.827) 17.252 3.332 ( 3.434 0.000 -0.350) 3.452 3.507 ( 1.196 0.000 -6.611) 6.718 3.552 ( -0.579 0.000 -6.003) 6.031 3.683 ( -5.431 0.000 -4.093) 6.801 3.866 ( 6.449 0.000 -14.415) 15.792 3.965 ( 3.379 0.000 -14.555) 14.942 4.118 ( 5.500 0.000 -3.378) 6.454 4.242 ( -8.015 0.000 -12.423) 14.784 4.250 ( 4.048 0.000 1.843) 4.447 4.493 ( 14.932 0.000 1.011) 14.966 4.722 ( -11.408 0.000 14.983) 18.832 5.020 ( -11.694 0.000 3.854) 12.313 5.245 ( 9.972 0.000 17.823) 20.423 5.333 ( 8.510 0.000 16.843) 18.871 5.599 ( -8.297 0.000 16.082) 18.096 5.629 ( -6.930 0.000 12.859) 14.608 5.803 ( -1.586 0.000 2.760) 3.183 5.821 ( -1.634 0.000 1.125) 1.984 5.912 ( 2.582 0.000 3.175) 4.092 5.974 ( -1.571 0.000 -2.274) 2.763 6.137 ( 8.219 0.000 4.493) 9.367 6.317 ( 2.896 0.000 4.390) 5.259 6.387 ( 1.031 0.000 -5.124) 5.227 6.436 ( -6.139 0.000 -1.325) 6.281 6.588 ( 2.119 0.000 -1.711) 2.724 6.658 ( 2.923 0.000 5.110) 5.886 6.772 ( -0.718 0.000 -13.360) 13.380 6.822 ( -8.854 0.000 1.857) 9.047 7.138 ( 7.552 0.000 1.413) 7.683 7.186 ( -4.231 0.000 -0.169) 4.234 7.261 ( -7.254 0.000 0.982) 7.320 7.270 ( 6.247 0.000 8.501) 10.550 7.480 ( 5.440 0.000 -1.134) 5.557 7.637 ( 5.862 0.000 -4.703) 7.516 7.676 ( 2.999 0.000 -12.343) 12.702 7.694 ( 4.947 0.000 1.363) 5.131 7.824 ( -5.007 0.000 -2.750) 5.712 7.873 ( 0.757 0.000 -6.426) 6.471 8.113 ( -10.842 0.000 3.768) 11.478 8.262 ( -13.324 0.000 0.728) 13.344 8.391 ( 5.954 0.000 0.065) 5.954 8.477 ( 6.914 0.000 -7.299) 10.054 8.652 ( 3.240 0.000 -2.645) 4.183 8.685 ( -2.695 0.000 -1.594) 3.131 8.905 ( -0.319 0.000 11.546) 11.551 9.010 ( -0.887 0.000 10.465) 10.502 9.149 ( 1.901 0.000 -3.290) 3.800 9.416 ( -8.689 0.000 -8.970) 12.488 9.784 ( 6.165 0.000 0.913) 6.232 9.862 ( -0.644 0.000 3.508) 3.567 9.891 ( -1.197 0.000 2.150) 2.461 9.965 ( -0.107 0.000 3.123) 3.125 10.026 ( 7.561 0.000 -0.529) 7.579 10.071 ( 7.941 0.000 -7.226) 10.737 10.310 ( -7.128 0.000 0.723) 7.164 10.506 ( -11.507 0.000 -8.418) 14.257 10.568 ( 4.317 0.000 6.689) 7.961 10.679 ( -1.652 0.000 6.501) 6.707 11.100 ( 7.780 0.000 -15.973) 17.767 11.342 ( -4.178 0.000 -18.682) 19.144 12.201 ( 3.408 0.000 -0.436) 3.436 12.310 ( 2.772 0.000 2.330) 3.621 12.342 ( 0.795 0.000 -7.671) 7.712 12.486 ( -6.983 0.000 -2.260) 7.340 12.519 ( -1.573 0.000 2.195) 2.701 12.667 ( 5.215 0.000 -10.786) 11.981 12.693 ( -6.496 0.000 -2.938) 7.130 12.802 ( 0.353 0.000 -5.601) 5.612 13.542 ( 6.260 0.000 11.458) 13.056 13.866 ( -8.749 0.000 12.021) 14.867 13.943 ( 6.541 0.000 -7.738) 10.132 14.207 ( -6.127 0.000 -4.356) 7.518 14.549 ( 5.289 0.000 3.559) 6.375 14.608 ( 4.397 0.000 0.380) 4.413 14.696 ( -2.089 0.000 -4.408) 4.878 14.753 ( -2.614 0.000 -0.959) 2.785 16.091 ( 6.823 0.000 -0.386) 6.833 16.246 ( 8.590 0.000 -8.070) 11.786 16.442 ( -9.394 0.000 0.651) 9.417 16.744 ( -15.970 0.000 -14.172) 21.352 17.667 ( 8.817 0.000 -0.354) 8.824 17.718 ( 10.749 0.000 -1.495) 10.853 17.956 ( -2.314 0.000 3.267) 4.004 17.991 ( -6.273 0.000 -1.601) 6.474 19.441 ( 11.809 0.000 16.886) 20.606 19.976 ( 2.605 0.000 -9.064) 9.431 20.119 ( -3.969 0.000 6.973) 8.023 20.194 ( -25.688 0.000 4.028) 26.002 21.475 ( 6.146 0.000 5.556) 8.285 21.714 ( -4.705 0.000 18.140) 18.740 21.741 ( 24.647 0.000 -10.599) 26.829 22.462 ( -11.742 0.000 -21.119) 24.164 23.642 ( 6.626 0.000 11.002) 12.843 24.001 ( -10.361 0.000 11.275) 15.313 24.129 ( 6.258 0.000 -12.040) 13.569 24.503 ( -12.004 0.000 -13.560) 18.110 24.929 ( 7.860 0.000 11.696) 14.092 25.179 ( -4.233 0.000 12.969) 13.642 25.392 ( 9.050 0.000 -11.506) 14.639 25.650 ( -3.941 0.000 -10.382) 11.105 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -4.656 0.000 19.858) 20.397 2.540 ( 4.656 0.000 19.858) 20.397 2.776 ( -12.915 0.000 16.364) 20.847 2.776 ( 12.915 0.000 16.364) 20.847 2.938 ( -13.420 0.000 2.231) 13.604 2.938 ( 13.420 0.000 2.231) 13.604 3.196 ( -4.349 0.000 -18.810) 19.306 3.196 ( 4.349 0.000 -18.810) 19.306 3.497 ( -11.732 0.000 -3.511) 12.246 3.497 ( 11.732 0.000 -3.511) 12.246 3.533 ( -1.482 0.000 -5.669) 5.859 3.533 ( 1.482 0.000 -5.669) 5.859 4.055 ( -6.313 0.000 -14.051) 15.404 4.055 ( 6.313 0.000 -14.051) 15.404 4.060 ( -11.959 0.000 -13.385) 17.949 4.060 ( 11.959 0.000 -13.385) 17.949 4.480 ( -15.470 0.000 13.206) 20.340 4.480 ( 15.470 0.000 13.206) 20.340 4.774 ( -15.892 0.000 2.398) 16.072 4.774 ( 15.892 0.000 2.398) 16.072 5.431 ( -10.519 0.000 17.329) 20.272 5.431 ( 10.519 0.000 17.329) 20.272 5.488 ( -8.764 0.000 16.554) 18.731 5.488 ( 8.764 0.000 16.554) 18.731 5.795 ( -0.810 0.000 1.244) 1.484 5.795 ( 0.810 0.000 1.244) 1.484 5.947 ( -1.565 0.000 -0.870) 1.790 5.947 ( 1.565 0.000 -0.870) 1.790 6.293 ( -8.981 0.000 1.457) 9.098 6.293 ( 8.981 0.000 1.457) 9.098 6.372 ( -2.634 0.000 2.802) 3.845 6.372 ( 2.634 0.000 2.802) 3.845 6.678 ( -7.123 0.000 0.338) 7.131 6.678 ( 7.123 0.000 0.338) 7.131 6.729 ( -4.180 0.000 -7.269) 8.385 6.729 ( 4.180 0.000 -7.269) 8.385 7.163 ( -2.675 0.000 1.139) 2.907 7.163 ( 2.675 0.000 1.139) 2.907 7.263 ( -5.385 0.000 2.031) 5.755 7.263 ( 5.385 0.000 2.031) 5.755 7.616 ( -8.721 0.000 -1.248) 8.810 7.616 ( 8.721 0.000 -1.248) 8.810 7.737 ( -4.584 0.000 -7.189) 8.526 7.737 ( 4.584 0.000 -7.189) 8.526 7.857 ( -15.956 0.000 0.583) 15.966 7.857 ( 15.956 0.000 0.583) 15.966 8.030 ( -12.772 0.000 -0.356) 12.777 8.030 ( 12.772 0.000 -0.356) 12.777 8.549 ( -10.211 0.000 -0.246) 10.214 8.549 ( 10.211 0.000 -0.246) 10.214 8.609 ( -6.690 0.000 -6.457) 9.298 8.609 ( 6.690 0.000 -6.457) 9.298 8.960 ( -4.244 0.000 10.978) 11.770 8.960 ( 4.244 0.000 10.978) 11.770 9.252 ( -8.887 0.000 -5.285) 10.340 9.252 ( 8.887 0.000 -5.285) 10.340 9.869 ( -1.143 0.000 3.522) 3.703 9.869 ( 1.143 0.000 3.522) 3.703 9.898 ( -5.927 0.000 1.243) 6.056 9.898 ( 5.927 0.000 1.243) 6.056 10.171 ( -8.463 0.000 -0.280) 8.467 10.171 ( 8.463 0.000 -0.280) 8.467 10.279 ( -13.533 0.000 -7.197) 15.327 10.279 ( 13.533 0.000 -7.197) 15.327 10.636 ( -3.237 0.000 6.670) 7.414 10.636 ( 3.237 0.000 6.670) 7.414 11.239 ( -7.340 0.000 -17.263) 18.759 11.239 ( 7.340 0.000 -17.263) 18.759 12.285 ( -5.012 0.000 0.914) 5.094 12.285 ( 5.012 0.000 0.914) 5.094 12.384 ( -4.229 0.000 -5.603) 7.019 12.384 ( 4.229 0.000 -5.603) 7.019 12.567 ( -6.671 0.000 -0.653) 6.703 12.567 ( 6.671 0.000 -0.653) 6.703 12.761 ( -4.632 0.000 -8.246) 9.457 12.761 ( 4.632 0.000 -8.246) 9.457 13.692 ( -10.120 0.000 12.646) 16.197 13.692 ( 10.120 0.000 12.646) 16.197 14.078 ( -8.108 0.000 -5.833) 9.988 14.078 ( 8.108 0.000 -5.833) 9.988 14.639 ( -4.413 0.000 -1.030) 4.532 14.639 ( 4.413 0.000 -1.030) 4.532 14.690 ( -4.438 0.000 -0.403) 4.456 14.690 ( 4.438 0.000 -0.403) 4.456 16.253 ( -10.945 0.000 0.157) 10.946 16.253 ( 10.945 0.000 0.157) 10.946 16.459 ( -15.100 0.000 -10.116) 18.175 16.459 ( 15.100 0.000 -10.116) 18.175 17.842 ( -10.114 0.000 -0.556) 10.129 17.842 ( 10.114 0.000 -0.556) 10.129 17.879 ( -6.843 0.000 -0.183) 6.845 17.879 ( 6.843 0.000 -0.183) 6.845 19.750 ( -22.739 0.000 12.544) 25.969 19.750 ( 22.739 0.000 12.544) 25.969 20.040 ( -4.484 0.000 -2.186) 4.988 20.040 ( 4.484 0.000 -2.186) 4.988 21.602 ( -7.495 0.000 12.799) 14.832 21.602 ( 7.495 0.000 12.799) 14.832 22.164 ( -21.672 0.000 -17.658) 27.955 22.164 ( 21.672 0.000 -17.658) 27.955 23.802 ( -11.084 0.000 10.889) 15.537 23.802 ( 11.084 0.000 10.889) 15.537 24.287 ( -11.393 0.000 -12.466) 16.888 24.287 ( 11.393 0.000 -12.466) 16.888 25.073 ( -7.624 0.000 12.508) 14.649 25.073 ( 7.624 0.000 12.508) 14.649 25.547 ( -7.717 0.000 -11.133) 13.546 25.547 ( 7.717 0.000 -11.133) 13.546 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 0.000 6.665 13.879) 15.396 2.588 ( 0.000 5.389 21.884) 22.537 2.713 ( 0.000 7.209 14.589) 16.273 2.778 ( 0.000 5.463 17.886) 18.702 3.123 ( 0.000 4.629 -14.420) 15.145 3.166 ( 0.000 3.294 -1.107) 3.475 3.298 ( 0.000 9.285 -6.456) 11.309 3.315 ( 0.000 1.471 -5.390) 5.587 3.456 ( 0.000 -2.716 -4.356) 5.133 3.488 ( 0.000 5.327 2.755) 5.997 3.556 ( 0.000 0.273 -7.538) 7.543 3.673 ( 0.000 4.432 -11.756) 12.564 3.863 ( 0.000 -2.486 -9.579) 9.897 3.923 ( 0.000 -2.418 8.316) 8.660 4.035 ( 0.000 3.438 -16.853) 17.200 4.263 ( 0.000 1.432 -7.798) 7.928 4.313 ( 0.000 0.497 -3.133) 3.172 4.426 ( 0.000 6.936 -11.403) 13.347 4.838 ( 0.000 -0.476 14.866) 14.874 5.070 ( 0.000 -6.289 17.387) 18.490 5.137 ( 0.000 -3.401 1.430) 3.689 5.200 ( 0.000 -1.870 22.041) 22.121 5.548 ( 0.000 -9.199 8.884) 12.789 5.752 ( 0.000 2.868 10.784) 11.159 5.843 ( 0.000 1.671 5.081) 5.348 5.901 ( 0.000 2.890 -2.317) 3.704 5.935 ( 0.000 5.292 7.015) 8.787 6.024 ( 0.000 3.260 -1.209) 3.477 6.093 ( 0.000 4.325 6.903) 8.146 6.247 ( 0.000 -3.072 4.821) 5.716 6.346 ( 0.000 -1.554 -8.791) 8.927 6.478 ( 0.000 1.298 -0.757) 1.503 6.623 ( 0.000 1.614 -5.779) 6.000 6.660 ( 0.000 2.604 7.350) 7.798 6.791 ( 0.000 1.659 -14.262) 14.358 6.940 ( 0.000 1.213 -2.100) 2.425 7.058 ( 0.000 -2.362 6.681) 7.087 7.081 ( 0.000 -2.808 10.203) 10.582 7.330 ( 0.000 4.950 -1.143) 5.080 7.342 ( 0.000 -9.820 -4.075) 10.632 7.403 ( 0.000 4.461 2.095) 4.929 7.429 ( 0.000 -0.785 2.112) 2.253 7.689 ( 0.000 4.865 -8.513) 9.805 7.741 ( 0.000 -1.767 -1.914) 2.605 7.887 ( 0.000 -0.122 -3.647) 3.649 7.948 ( 0.000 8.301 -10.742) 13.576 8.216 ( 0.000 1.462 6.643) 6.802 8.315 ( 0.000 -0.366 0.976) 1.043 8.446 ( 0.000 1.461 -4.070) 4.324 8.469 ( 0.000 -5.258 9.582) 10.930 8.492 ( 0.000 2.762 -7.656) 8.139 8.686 ( 0.000 1.247 -2.168) 2.501 9.024 ( 0.000 6.830 8.792) 11.133 9.059 ( 0.000 5.058 4.810) 6.980 9.159 ( 0.000 1.732 -2.113) 2.732 9.506 ( 0.000 0.162 -12.725) 12.726 9.763 ( 0.000 1.912 3.260) 3.779 9.806 ( 0.000 -5.837 8.231) 10.091 9.868 ( 0.000 0.820 5.933) 5.989 9.954 ( 0.000 4.975 -8.222) 9.610 10.027 ( 0.000 4.576 -2.334) 5.137 10.080 ( 0.000 3.503 -3.215) 4.754 10.389 ( 0.000 -1.221 1.107) 1.648 10.505 ( 0.000 -5.429 2.712) 6.069 10.577 ( 0.000 5.904 6.478) 8.765 10.820 ( 0.000 6.594 -2.505) 7.054 11.024 ( 0.000 0.975 -14.530) 14.563 11.324 ( 0.000 -5.241 -16.776) 17.575 12.118 ( 0.000 -3.596 7.124) 7.980 12.283 ( 0.000 -4.678 3.321) 5.737 12.323 ( 0.000 5.122 -1.450) 5.323 12.580 ( 0.000 -1.163 -10.989) 11.050 12.628 ( 0.000 7.012 -6.059) 9.267 12.665 ( 0.000 5.606 -4.456) 7.161 12.751 ( 0.000 -1.414 -4.909) 5.109 12.817 ( 0.000 3.803 -6.032) 7.131 13.499 ( 0.000 1.785 11.089) 11.231 13.777 ( 0.000 -6.501 3.675) 7.467 14.041 ( 0.000 5.360 -1.575) 5.587 14.238 ( 0.000 -3.059 -5.043) 5.898 14.404 ( 0.000 -8.443 3.560) 9.163 14.470 ( 0.000 -8.916 -1.126) 8.986 14.589 ( 0.000 -10.122 0.029) 10.122 14.764 ( 0.000 -4.170 -4.765) 6.332 16.052 ( 0.000 2.847 -0.565) 2.902 16.197 ( 0.000 2.530 -7.016) 7.458 16.595 ( 0.000 6.169 1.306) 6.306 16.980 ( 0.000 6.011 -18.146) 19.115 17.416 ( 0.000 -12.669 3.019) 13.024 17.541 ( 0.000 -7.422 0.339) 7.430 17.889 ( 0.000 -6.051 3.199) 6.845 18.093 ( 0.000 1.179 -5.821) 5.939 19.458 ( 0.000 11.546 18.254) 21.599 20.012 ( 0.000 5.504 -8.675) 10.274 20.150 ( 0.000 -0.456 13.963) 13.971 20.541 ( 0.000 5.264 -4.767) 7.101 21.387 ( 0.000 -2.618 2.156) 3.391 21.456 ( 0.000 -0.299 -3.186) 3.200 21.670 ( 0.000 -8.590 20.099) 21.858 22.455 ( 0.000 -10.275 -19.272) 21.840 23.656 ( 0.000 6.521 6.666) 9.325 23.997 ( 0.000 -6.721 -7.487) 10.061 24.091 ( 0.000 -1.741 9.341) 9.502 24.504 ( 0.000 -11.442 -9.686) 14.992 24.917 ( 0.000 6.255 7.926) 10.097 25.246 ( 0.000 2.018 9.343) 9.559 25.300 ( 0.000 0.712 -10.583) 10.607 25.653 ( 0.000 -3.033 -9.554) 10.024 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.555 7.296 16.142) 17.782 2.645 ( 5.914 5.009 20.791) 22.188 2.718 ( -4.241 6.683 15.820) 17.690 2.796 ( 7.732 6.611 12.997) 16.505 3.029 ( -9.636 2.209 2.124) 10.111 3.184 ( -7.143 5.358 -0.120) 8.930 3.224 ( -4.249 4.928 -10.882) 12.679 3.289 ( 1.605 3.131 -10.279) 10.864 3.388 ( -0.116 3.974 -6.106) 7.286 3.513 ( 1.083 1.093 -6.468) 6.649 3.558 ( 0.498 1.202 -4.128) 4.328 3.696 ( -7.310 0.950 -5.100) 8.963 3.858 ( 8.694 0.383 -13.039) 15.676 4.013 ( 4.515 3.254 -12.481) 13.666 4.124 ( 10.176 -0.844 0.948) 10.255 4.198 ( -6.165 0.265 -8.846) 10.786 4.338 ( -4.161 5.478 -9.148) 11.446 4.485 ( 12.263 -1.091 0.328) 12.316 4.706 ( -11.301 -1.687 12.866) 17.207 4.993 ( -11.548 -3.049 2.419) 12.187 5.196 ( 10.372 -4.647 17.487) 20.855 5.320 ( 8.245 -2.338 20.133) 21.881 5.525 ( -2.851 -5.047 10.993) 12.427 5.675 ( -7.091 3.951 12.944) 15.279 5.814 ( -2.277 0.509 3.192) 3.953 5.860 ( -3.319 2.122 -0.514) 3.973 5.968 ( 1.850 5.020 2.507) 5.908 6.002 ( -1.374 3.030 -1.195) 3.536 6.162 ( 6.315 1.339 4.852) 8.076 6.268 ( 1.447 -2.596 5.276) 6.056 6.361 ( 1.452 -1.571 -4.466) 4.951 6.503 ( -4.356 5.016 -4.639) 8.103 6.553 ( 3.345 -1.180 0.757) 3.627 6.709 ( 2.983 3.925 2.097) 5.358 6.785 ( -1.215 1.516 -12.307) 12.459 6.860 ( -7.062 3.376 0.979) 7.889 7.098 ( 3.795 -3.121 5.093) 7.077 7.142 ( 2.861 -4.733 3.764) 6.690 7.238 ( -6.620 -0.878 -0.766) 6.722 7.314 ( -1.669 3.895 -0.619) 4.282 7.444 ( 8.365 -4.352 2.421) 9.735 7.581 ( 8.359 -0.516 -1.891) 8.586 7.685 ( 2.827 3.147 -6.971) 8.154 7.723 ( -3.513 -1.997 -0.475) 4.069 7.834 ( -5.403 1.376 -2.790) 6.234 7.991 ( 4.734 9.196 -7.930) 13.033 8.094 ( -12.208 -2.125 4.107) 13.054 8.277 ( -7.566 0.889 2.996) 8.186 8.416 ( 5.210 3.800 -2.282) 6.840 8.494 ( 5.032 1.617 -5.571) 7.679 8.613 ( 4.997 -2.758 1.373) 5.870 8.698 ( -2.697 1.009 -2.905) 4.090 8.967 ( -1.057 5.374 6.455) 8.466 9.073 ( -1.672 6.142 6.741) 9.271 9.167 ( 2.386 2.030 -2.631) 4.091 9.420 ( -8.257 0.310 -9.029) 12.239 9.791 ( 2.277 -0.627 3.280) 4.042 9.814 ( 0.077 -3.684 8.351) 9.128 9.897 ( 0.222 2.095 0.064) 2.107 9.976 ( 8.859 1.205 0.855) 8.981 10.035 ( -3.579 3.164 -2.287) 5.296 10.155 ( 9.065 5.429 -6.838) 12.587 10.357 ( -5.774 3.893 -0.028) 6.964 10.407 ( -6.266 -6.242 0.437) 8.856 10.633 ( 3.375 4.193 6.550) 8.478 10.755 ( -4.983 6.087 0.209) 7.869 11.105 ( 6.882 0.239 -14.540) 16.088 11.299 ( -2.942 -4.164 -16.469) 17.240 12.139 ( 2.566 -4.411 6.300) 8.107 12.259 ( -2.452 -5.626 3.934) 7.290 12.361 ( 3.609 4.290 -1.137) 5.720 12.526 ( -6.701 3.599 -6.495) 10.002 12.613 ( 0.489 4.690 -6.452) 7.991 12.663 ( 1.389 2.494 -8.365) 8.839 12.766 ( -1.684 4.539 -6.770) 8.323 12.806 ( -0.021 0.993 -5.747) 5.832 13.545 ( 5.196 0.799 11.797) 12.915 13.769 ( -2.665 -6.294 8.925) 11.241 14.013 ( -0.271 3.854 -5.229) 6.501 14.181 ( -5.550 -2.738 -5.511) 8.287 14.467 ( 4.961 -8.621 1.815) 10.111 14.518 ( 4.798 -7.644 -1.283) 9.116 14.580 ( -0.730 -9.892 -0.031) 9.919 14.730 ( -3.714 -4.488 -4.205) 7.185 16.123 ( 7.639 3.435 -0.320) 8.382 16.270 ( 8.245 2.303 -7.466) 11.359 16.497 ( -9.741 5.412 0.593) 11.159 16.787 ( -17.033 4.089 -13.537) 22.138 17.509 ( 8.963 -12.058 3.846) 15.509 17.676 ( 9.386 -7.012 0.256) 11.719 17.864 ( -1.601 -4.657 -0.381) 4.939 18.052 ( -4.538 1.250 -6.050) 7.665 19.551 ( 10.627 10.586 17.264) 22.870 20.021 ( 0.248 3.971 -4.656) 6.124 20.121 ( -3.390 1.196 9.039) 9.727 20.278 ( -21.621 7.531 1.617) 22.952 21.451 ( 4.904 -2.473 5.294) 7.629 21.631 ( -2.000 -8.030 16.391) 18.362 21.708 ( 21.184 -3.177 -7.852) 22.815 22.364 ( -10.422 -9.193 -18.831) 23.404 23.703 ( 5.307 5.476 7.145) 10.450 23.988 ( -6.435 -2.147 6.266) 9.235 24.068 ( 3.877 -4.735 -5.230) 8.051 24.397 ( -10.394 -9.736 -9.239) 16.976 24.984 ( 6.586 4.927 8.577) 11.883 25.206 ( -4.034 2.151 9.514) 10.555 25.386 ( 7.812 -0.641 -10.689) 13.255 25.621 ( -3.743 -2.869 -9.853) 10.924 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -4.405 7.596 17.788) 19.837 2.619 ( 4.405 7.596 17.788) 19.837 2.818 ( -11.613 4.245 15.875) 20.122 2.818 ( 11.613 4.245 15.875) 20.122 2.982 ( -12.042 4.751 4.939) 13.855 2.982 ( 12.042 4.751 4.939) 13.855 3.246 ( -3.867 4.626 -16.856) 17.902 3.246 ( 3.867 4.626 -16.856) 17.902 3.500 ( -7.351 0.513 -4.046) 8.407 3.500 ( 7.351 0.513 -4.046) 8.407 3.561 ( -1.635 2.770 -5.250) 6.157 3.561 ( 1.635 2.770 -5.250) 6.157 4.042 ( -9.794 0.570 -13.420) 16.624 4.042 ( 9.794 0.570 -13.420) 16.624 4.124 ( -7.238 4.069 -12.150) 14.716 4.124 ( 7.238 4.069 -12.150) 14.716 4.454 ( -13.975 -2.527 11.279) 18.136 4.454 ( 13.975 -2.527 11.279) 18.136 4.757 ( -14.658 -2.048 0.477) 14.808 4.757 ( 14.658 -2.048 0.477) 14.808 5.364 ( -6.806 -5.456 17.835) 19.854 5.364 ( 6.806 -5.456 17.835) 19.854 5.535 ( -7.412 3.651 15.679) 17.723 5.535 ( 7.412 3.651 15.679) 17.723 5.809 ( -1.868 0.203 -0.143) 1.884 5.809 ( 1.868 0.203 -0.143) 1.884 5.987 ( -0.595 4.083 -0.785) 4.200 5.987 ( 0.595 4.083 -0.785) 4.200 6.260 ( -3.350 -2.677 4.467) 6.192 6.260 ( 3.350 -2.677 4.467) 6.192 6.403 ( -4.148 2.552 -1.017) 4.975 6.403 ( 4.148 2.552 -1.017) 4.975 6.679 ( -7.934 1.357 -2.832) 8.533 6.679 ( 7.934 1.357 -2.832) 8.533 6.779 ( -3.254 4.138 -3.975) 6.597 6.779 ( 3.254 4.138 -3.975) 6.597 7.124 ( -1.454 -3.367 4.451) 5.768 7.124 ( 1.454 -3.367 4.451) 5.768 7.259 ( -4.591 0.607 -0.633) 4.674 7.259 ( 4.591 0.607 -0.633) 4.674 7.597 ( -7.972 -4.560 -1.706) 9.341 7.597 ( 7.972 -4.560 -1.706) 9.341 7.723 ( -6.519 2.217 -3.888) 7.907 7.723 ( 6.519 2.217 -3.888) 7.907 7.847 ( -13.525 -0.246 2.247) 13.713 7.847 ( 13.525 -0.246 2.247) 13.713 8.120 ( -8.573 6.014 -2.055) 10.672 8.120 ( 8.573 6.014 -2.055) 10.672 8.563 ( -8.114 2.314 -1.939) 8.657 8.563 ( 8.114 2.314 -1.939) 8.657 8.606 ( -3.831 -0.453 -3.820) 5.429 8.606 ( 3.831 -0.453 -3.820) 5.429 9.013 ( -4.519 5.274 7.370) 10.127 9.013 ( 4.519 5.274 7.370) 10.127 9.264 ( -8.275 1.166 -5.524) 10.017 9.264 ( 8.275 1.166 -5.524) 10.017 9.813 ( -0.649 -3.477 5.913) 6.890 9.813 ( 0.649 -3.477 5.913) 6.890 9.946 ( -4.924 3.434 -0.099) 6.004 9.946 ( 4.924 3.434 -0.099) 6.004 10.181 ( -11.995 0.549 0.801) 12.035 10.181 ( 11.995 0.549 0.801) 12.035 10.304 ( -7.234 2.509 -6.266) 9.893 10.304 ( 7.234 2.509 -6.266) 9.893 10.685 ( -2.995 4.670 5.388) 7.733 10.685 ( 2.995 4.670 5.388) 7.733 11.221 ( -5.852 -1.836 -15.568) 16.733 11.221 ( 5.852 -1.836 -15.568) 16.733 12.202 ( -3.943 -6.134 5.826) 9.334 12.202 ( 3.943 -6.134 5.826) 9.334 12.427 ( -4.138 3.976 -4.829) 7.500 12.427 ( 4.138 3.976 -4.829) 7.500 12.645 ( -3.197 5.455 -5.655) 8.483 12.645 ( 3.197 5.455 -5.655) 8.483 12.778 ( -2.912 1.923 -8.303) 9.007 12.778 ( 2.912 1.923 -8.303) 9.007 13.666 ( -7.687 -2.166 12.417) 14.764 13.666 ( 7.687 -2.166 12.417) 14.764 14.073 ( -5.912 -0.687 -6.789) 9.028 14.073 ( 5.912 -0.687 -6.789) 9.028 14.534 ( -2.668 -9.610 0.298) 9.978 14.534 ( 2.668 -9.610 0.298) 9.978 14.640 ( -6.198 -5.527 -2.618) 8.707 14.640 ( 6.198 -5.527 -2.618) 8.707 16.295 ( -11.035 4.023 0.224) 11.747 16.295 ( 11.035 4.023 0.224) 11.747 16.490 ( -15.183 3.177 -9.793) 18.344 16.490 ( 15.183 3.177 -9.793) 18.344 17.672 ( -7.938 -11.379 5.552) 14.944 17.672 ( 7.938 -11.379 5.552) 14.944 17.939 ( -7.888 0.658 -7.182) 10.688 17.939 ( 7.888 0.658 -7.182) 10.688 19.824 ( -19.518 7.097 13.234) 24.627 19.824 ( 19.518 7.097 13.234) 24.627 20.091 ( -2.824 5.119 -0.643) 5.881 20.091 ( 2.824 5.119 -0.643) 5.881 21.549 ( -5.742 -5.338 12.486) 14.743 21.549 ( 5.742 -5.338 12.486) 14.743 22.095 ( -19.840 -6.526 -16.100) 26.371 22.095 ( 19.840 -6.526 -16.100) 26.371 23.834 ( -9.075 2.763 8.023) 12.424 23.834 ( 9.075 2.763 8.023) 12.424 24.205 ( -10.307 -7.546 -8.473) 15.329 24.205 ( 10.307 -7.546 -8.473) 15.329 25.109 ( -6.819 3.130 9.425) 12.046 25.109 ( 6.819 3.130 9.425) 12.046 25.524 ( -7.101 -2.205 -10.487) 12.855 25.524 ( 7.101 -2.205 -10.487) 12.855 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.000 8.917 21.022) 22.835 2.735 ( 0.000 11.370 12.961) 17.242 2.902 ( 0.000 11.719 14.849) 18.917 2.916 ( 0.000 8.247 13.183) 15.550 3.227 ( 0.000 5.456 -5.603) 7.821 3.278 ( 0.000 7.400 0.959) 7.462 3.389 ( 0.000 5.700 -0.436) 5.717 3.409 ( 0.000 -1.208 -0.573) 1.337 3.515 ( 0.000 12.069 -9.943) 15.638 3.553 ( 0.000 1.738 7.348) 7.551 3.599 ( 0.000 3.647 -8.557) 9.302 3.758 ( 0.000 3.388 -7.850) 8.550 3.826 ( 0.000 -0.876 -7.556) 7.607 3.858 ( 0.000 -3.188 1.655) 3.592 4.100 ( 0.000 3.555 -15.996) 16.386 4.286 ( 0.000 -4.276 -4.263) 6.038 4.323 ( 0.000 4.022 -8.643) 9.533 4.586 ( 0.000 8.590 -14.582) 16.924 4.820 ( 0.000 -1.229 10.662) 10.733 4.909 ( 0.000 -10.035 15.806) 18.723 5.045 ( 0.000 -5.355 -0.920) 5.434 5.098 ( 0.000 -8.849 26.450) 27.891 5.388 ( 0.000 -7.234 -0.863) 7.286 5.752 ( 0.000 -4.117 11.135) 11.872 5.879 ( 0.000 -4.350 -7.538) 8.703 5.889 ( 0.000 2.870 3.983) 4.909 6.040 ( 0.000 4.430 6.399) 7.782 6.088 ( 0.000 2.202 -3.058) 3.768 6.200 ( 0.000 6.253 7.319) 9.627 6.259 ( 0.000 4.811 7.522) 8.929 6.322 ( 0.000 -1.197 -6.507) 6.616 6.542 ( 0.000 5.353 0.888) 5.427 6.656 ( 0.000 1.776 -4.701) 5.025 6.717 ( 0.000 1.516 0.713) 1.676 6.841 ( 0.000 3.719 -11.722) 12.298 6.950 ( 0.000 0.304 1.056) 1.099 7.027 ( 0.000 1.168 1.359) 1.792 7.057 ( 0.000 0.856 10.544) 10.579 7.250 ( 0.000 0.700 -3.851) 3.914 7.353 ( 0.000 0.712 3.002) 3.085 7.459 ( 0.000 -0.110 4.089) 4.090 7.509 ( 0.000 4.995 -0.184) 4.999 7.715 ( 0.000 1.621 6.870) 7.059 7.754 ( 0.000 1.947 -7.813) 8.052 7.875 ( 0.000 -0.191 -8.499) 8.501 8.126 ( 0.000 7.954 -6.762) 10.440 8.182 ( 0.000 -2.497 7.550) 7.952 8.343 ( 0.000 -0.555 4.010) 4.048 8.368 ( 0.000 -4.226 8.433) 9.433 8.535 ( 0.000 4.193 -7.771) 8.830 8.603 ( 0.000 13.158 -6.278) 14.578 8.708 ( 0.000 0.945 -2.904) 3.054 9.098 ( 0.000 -0.709 0.912) 1.155 9.190 ( 0.000 9.537 5.604) 11.061 9.271 ( 0.000 8.609 -3.954) 9.474 9.516 ( 0.000 0.948 -12.606) 12.642 9.709 ( 0.000 -3.944 12.800) 13.394 9.755 ( 0.000 -0.942 9.945) 9.990 9.963 ( 0.000 6.563 1.422) 6.715 10.073 ( 0.000 6.581 -5.701) 8.707 10.097 ( 0.000 2.374 -8.111) 8.451 10.152 ( 0.000 3.935 -4.189) 5.747 10.313 ( 0.000 -5.012 7.347) 8.894 10.478 ( 0.000 1.189 4.254) 4.417 10.703 ( 0.000 6.380 5.245) 8.259 10.903 ( 0.000 1.641 -3.453) 3.823 11.047 ( 0.000 1.290 -11.217) 11.291 11.203 ( 0.000 -6.490 -11.432) 13.145 12.076 ( 0.000 -0.719 12.777) 12.797 12.213 ( 0.000 -1.670 12.027) 12.142 12.416 ( 0.000 2.807 -2.582) 3.814 12.593 ( 0.000 2.052 -4.311) 4.774 12.712 ( 0.000 -1.306 -6.610) 6.738 12.729 ( 0.000 2.713 -11.664) 11.976 12.749 ( 0.000 2.457 -9.946) 10.245 12.898 ( 0.000 4.109 -7.327) 8.401 13.569 ( 0.000 4.399 8.156) 9.267 13.684 ( 0.000 -1.535 7.116) 7.279 14.134 ( 0.000 4.059 -7.020) 8.109 14.152 ( 0.000 -5.693 -6.635) 8.743 14.167 ( 0.000 -14.776 0.415) 14.782 14.296 ( 0.000 -9.213 -4.055) 10.065 14.351 ( 0.000 -12.756 1.674) 12.865 14.597 ( 0.000 -12.481 -7.190) 14.404 16.153 ( 0.000 7.448 -0.139) 7.450 16.261 ( 0.000 4.111 -5.500) 6.866 16.755 ( 0.000 9.815 1.559) 9.938 17.134 ( 0.000 9.510 -17.577) 19.985 17.141 ( 0.000 -14.918 5.189) 15.794 17.343 ( 0.000 -12.080 1.159) 12.135 17.749 ( 0.000 -8.498 0.724) 8.528 18.065 ( 0.000 -3.972 -10.753) 11.463 19.743 ( 0.000 16.877 18.056) 24.715 20.127 ( 0.000 5.420 -0.688) 5.464 20.152 ( 0.000 0.815 18.281) 18.300 20.663 ( 0.000 6.793 -6.709) 9.547 21.333 ( 0.000 -2.799 3.292) 4.321 21.447 ( 0.000 -13.709 20.855) 24.957 21.456 ( 0.000 0.683 -4.006) 4.064 22.218 ( 0.000 -13.365 -16.214) 21.012 23.785 ( 0.000 5.477 0.260) 5.483 23.862 ( 0.000 -5.900 -1.297) 6.040 24.027 ( 0.000 -5.332 4.966) 7.286 24.261 ( 0.000 -11.952 -4.768) 12.868 25.050 ( 0.000 6.834 3.812) 7.826 25.268 ( 0.000 0.155 5.625) 5.627 25.313 ( 0.000 0.463 -8.829) 8.841 25.577 ( 0.000 -4.586 -8.390) 9.561 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 2.177 9.958 12.488) 16.120 2.792 ( 5.457 10.294 21.107) 24.109 2.873 ( -2.857 8.756 10.651) 14.081 2.971 ( 6.112 10.716 14.728) 19.212 3.115 ( -9.199 6.505 7.530) 13.551 3.304 ( -10.578 5.851 4.807) 13.009 3.330 ( -1.353 5.506 -3.743) 6.794 3.374 ( 2.537 4.907 -6.454) 8.496 3.446 ( -0.230 2.532 -5.898) 6.423 3.574 ( -0.567 5.476 -8.368) 10.017 3.629 ( 1.674 6.344 -5.214) 8.380 3.713 ( -6.512 1.053 -6.089) 8.977 3.884 ( 9.776 1.269 -5.709) 11.392 4.011 ( 11.241 -4.045 0.911) 11.982 4.130 ( 3.807 3.866 -12.989) 14.076 4.248 ( -6.861 3.115 -11.439) 13.698 4.383 ( 6.170 -4.877 -2.413) 8.227 4.497 ( -6.257 5.559 -7.060) 10.950 4.653 ( -10.021 -3.918 6.479) 12.560 4.891 ( -11.012 -7.582 0.915) 13.401 5.090 ( 11.079 -5.664 14.225) 18.899 5.219 ( 6.820 -7.209 19.137) 21.557 5.450 ( 6.222 -3.601 2.213) 7.521 5.727 ( -2.066 -0.541 10.299) 10.518 5.792 ( -6.893 -3.576 -3.305) 8.440 5.879 ( -4.808 1.414 4.184) 6.529 6.036 ( -0.400 1.022 3.209) 3.391 6.085 ( 0.647 4.619 -1.541) 4.912 6.175 ( 1.292 1.465 6.314) 6.609 6.279 ( -0.890 3.361 5.291) 6.331 6.346 ( 3.395 -0.490 -6.778) 7.596 6.567 ( -5.006 2.602 0.883) 5.711 6.607 ( 3.882 4.887 -6.562) 9.056 6.788 ( 5.636 2.177 -1.561) 6.240 6.838 ( -0.985 5.183 -3.736) 6.465 6.940 ( -3.194 5.345 -1.866) 6.500 7.047 ( 2.517 -0.902 7.900) 8.340 7.068 ( 1.353 -1.204 5.455) 5.748 7.253 ( 0.437 3.092 -2.673) 4.110 7.365 ( 3.369 -1.107 2.671) 4.440 7.436 ( -3.950 5.985 -0.477) 7.186 7.538 ( 2.081 -4.262 1.767) 5.062 7.716 ( 2.107 1.403 2.806) 3.779 7.751 ( 0.420 2.744 -3.791) 4.698 7.865 ( -2.471 1.883 -6.088) 6.835 8.028 ( -11.804 -3.264 7.772) 14.504 8.155 ( 2.830 6.016 -7.131) 9.749 8.294 ( -3.972 1.639 3.069) 5.280 8.486 ( 6.801 -0.557 1.885) 7.079 8.533 ( 2.603 1.843 -4.938) 5.878 8.646 ( 3.158 10.218 -2.381) 10.957 8.724 ( -1.252 1.882 -3.462) 4.135 9.063 ( 0.311 3.436 -0.130) 3.453 9.218 ( -1.322 7.815 2.837) 8.419 9.240 ( -0.048 6.076 -4.273) 7.428 9.429 ( -7.567 0.986 -7.046) 10.387 9.757 ( 1.002 -1.663 6.857) 7.127 9.760 ( 1.139 -1.461 12.220) 12.360 9.972 ( 0.820 4.571 -1.595) 4.911 10.033 ( 4.479 3.472 -0.858) 5.732 10.108 ( -3.792 4.125 -1.343) 5.762 10.231 ( 5.086 0.638 -5.275) 7.355 10.315 ( 0.267 -1.577 2.973) 3.376 10.433 ( -3.997 3.707 0.374) 5.464 10.724 ( 2.536 4.948 6.080) 8.239 10.862 ( -3.691 4.217 -1.675) 5.849 11.100 ( 4.510 -0.759 -11.375) 12.260 11.199 ( -0.684 -5.614 -11.899) 13.175 12.076 ( 0.395 -1.939 12.264) 12.423 12.170 ( -3.963 -2.665 11.454) 12.409 12.450 ( 2.968 3.235 -1.927) 4.795 12.568 ( -3.905 0.587 -2.567) 4.710 12.686 ( 2.067 3.925 -11.520) 12.345 12.731 ( -0.234 2.820 -9.574) 9.984 12.801 ( 2.556 0.634 -8.276) 8.685 12.879 ( -2.077 4.647 -7.165) 8.789 13.587 ( 2.090 3.037 8.677) 9.427 13.675 ( -1.204 -2.146 8.351) 8.706 14.051 ( -3.706 -1.253 -6.853) 7.891 14.100 ( -4.173 -5.501 -7.923) 10.510 14.246 ( 4.164 -11.312 -0.246) 12.057 14.337 ( -0.879 -14.394 2.528) 14.641 14.381 ( 6.558 -6.372 -5.411) 10.625 14.571 ( -2.934 -11.286 -6.794) 13.496 16.223 ( 7.535 6.651 0.094) 10.051 16.331 ( 7.865 4.025 -5.636) 10.480 16.626 ( -11.151 6.957 -0.162) 13.144 16.880 ( -18.692 4.639 -11.844) 22.609 17.266 ( 10.884 -11.754 6.856) 17.424 17.502 ( 5.519 -9.275 4.496) 11.692 17.762 ( 4.000 -6.140 -7.457) 10.455 18.023 ( -4.722 -3.959 -11.325) 12.893 19.810 ( 7.528 15.080 17.501) 24.297 20.101 ( -3.077 4.028 6.354) 8.128 20.168 ( 1.641 3.229 11.122) 11.697 20.458 ( -17.167 10.460 -1.683) 20.173 21.380 ( 2.041 -5.233 5.532) 7.884 21.424 ( -0.892 -12.439 17.240) 21.277 21.645 ( 17.400 -2.571 -7.752) 19.222 22.151 ( -7.706 -11.901 -15.983) 21.365 23.810 ( 2.807 4.208 1.194) 5.197 23.893 ( 2.732 -5.686 0.083) 6.309 23.996 ( -2.252 -3.931 2.463) 5.157 24.188 ( -7.428 -10.209 -4.285) 13.332 25.089 ( 4.026 5.417 4.309) 8.007 25.239 ( -2.944 1.033 5.543) 6.361 25.368 ( 5.326 -1.148 -8.872) 10.411 25.549 ( -3.176 -4.271 -8.549) 10.070 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -3.820 10.092 11.597) 15.841 2.799 ( 3.820 10.092 11.597) 15.841 2.938 ( -9.627 8.043 17.691) 21.688 2.938 ( 9.627 8.043 17.691) 21.688 3.117 ( -9.990 8.768 9.545) 16.364 3.117 ( 9.990 8.768 9.545) 16.364 3.342 ( -3.018 4.411 -10.218) 11.531 3.342 ( 3.018 4.411 -10.218) 11.531 3.531 ( -6.297 3.219 -3.379) 7.838 3.531 ( 6.297 3.219 -3.379) 7.838 3.637 ( -1.834 5.138 -7.058) 8.920 3.637 ( 1.834 5.138 -7.058) 8.920 4.065 ( -9.798 0.821 -7.418) 12.317 4.065 ( 9.798 0.821 -7.418) 12.317 4.183 ( -5.033 1.159 -8.866) 10.261 4.183 ( 5.033 1.159 -8.866) 10.261 4.406 ( -6.058 -1.028 2.817) 6.759 4.406 ( 6.058 -1.028 2.817) 6.759 4.682 ( -11.537 -5.936 -2.676) 13.248 4.682 ( 11.537 -5.936 -2.676) 13.248 5.243 ( -4.836 -6.556 14.571) 16.694 5.243 ( 4.836 -6.556 14.571) 16.694 5.600 ( -10.388 1.177 8.349) 13.379 5.600 ( 10.388 1.177 8.349) 13.379 5.776 ( -4.424 -2.407 1.714) 5.320 5.776 ( 4.424 -2.407 1.714) 5.320 6.065 ( -2.364 2.188 0.066) 3.222 6.065 ( 2.364 2.188 0.066) 3.222 6.233 ( -3.843 1.353 5.338) 6.715 6.233 ( 3.843 1.353 5.338) 6.715 6.440 ( -6.965 0.665 -6.556) 9.588 6.440 ( 6.965 0.665 -6.556) 9.588 6.736 ( -7.972 3.800 -1.438) 8.948 6.736 ( 7.972 3.800 -1.438) 8.948 6.886 ( -3.816 7.090 -1.139) 8.132 6.886 ( 3.816 7.090 -1.139) 8.132 7.075 ( -1.660 -0.621 7.689) 7.890 7.075 ( 1.660 -0.621 7.689) 7.890 7.311 ( -6.093 4.630 -2.673) 8.106 7.311 ( 6.093 4.630 -2.673) 8.106 7.495 ( -6.429 -4.420 1.708) 7.986 7.495 ( 6.429 -4.420 1.708) 7.986 7.789 ( -3.258 2.327 -4.534) 6.048 7.789 ( 3.258 2.327 -4.534) 6.048 7.834 ( -8.699 -0.169 4.783) 9.928 7.834 ( 8.699 -0.169 4.783) 9.928 8.218 ( -4.079 4.053 -2.140) 6.136 8.218 ( 4.079 4.053 -2.140) 6.136 8.583 ( -2.547 -1.253 0.671) 2.917 8.583 ( 2.547 -1.253 0.671) 2.917 8.663 ( -2.982 7.297 -5.610) 9.676 8.663 ( 2.982 7.297 -5.610) 9.676 9.141 ( -6.585 6.637 1.070) 9.410 9.141 ( 6.585 6.637 1.070) 9.410 9.297 ( -6.301 2.838 -5.466) 8.811 9.297 ( 6.301 2.838 -5.466) 8.811 9.763 ( -0.424 -1.313 9.281) 9.383 9.763 ( 0.424 -1.313 9.281) 9.383 10.024 ( -4.293 4.278 -1.404) 6.222 10.024 ( 4.293 4.278 -1.404) 6.222 10.174 ( -8.278 -1.351 3.916) 9.257 10.174 ( 8.278 -1.351 3.916) 9.257 10.369 ( -3.731 3.910 -5.121) 7.445 10.369 ( 3.731 3.910 -5.121) 7.445 10.789 ( -4.390 5.248 3.269) 7.583 10.789 ( 4.390 5.248 3.269) 7.583 11.170 ( -2.907 -3.341 -12.121) 12.904 11.170 ( 2.907 -3.341 -12.121) 12.904 12.104 ( -2.959 -3.377 11.797) 12.623 12.104 ( 2.959 -3.377 11.797) 12.623 12.502 ( -3.126 2.625 -3.334) 5.271 12.502 ( 3.126 2.625 -3.334) 5.271 12.727 ( -1.046 3.017 -8.902) 9.457 12.727 ( 1.046 3.017 -8.902) 9.457 12.835 ( -2.273 3.758 -8.041) 9.162 12.835 ( 2.273 3.758 -8.041) 9.162 13.636 ( -3.040 -0.385 9.441) 9.925 13.636 ( 3.040 -0.385 9.441) 9.925 14.039 ( -2.074 -3.227 -8.735) 9.540 14.039 ( 2.074 -3.227 -8.735) 9.540 14.305 ( -2.617 -12.957 1.364) 13.289 14.305 ( 2.617 -12.957 1.364) 13.289 14.495 ( -5.702 -8.685 -5.965) 11.981 14.495 ( 5.702 -8.685 -5.965) 11.981 16.386 ( -9.267 4.737 0.961) 10.452 16.386 ( 9.267 4.737 0.961) 10.452 16.578 ( -13.647 5.701 -9.687) 17.680 16.578 ( 13.647 5.701 -9.687) 17.680 17.449 ( -8.659 -10.914 9.089) 16.634 17.449 ( 8.659 -10.914 9.089) 16.634 17.901 ( -8.887 -4.080 -12.675) 16.009 17.901 ( 8.887 -4.080 -12.675) 16.009 19.985 ( -10.515 8.309 15.018) 20.128 19.985 ( 10.515 8.309 15.018) 20.128 20.229 ( -6.920 9.008 2.722) 11.680 20.229 ( 6.920 9.008 2.722) 11.680 21.406 ( -1.235 -9.168 12.049) 15.191 21.406 ( 1.235 -9.168 12.049) 15.191 21.947 ( -15.262 -7.854 -13.885) 22.077 21.947 ( 15.262 -7.854 -13.885) 22.077 23.875 ( -4.100 0.379 3.231) 5.234 23.875 ( 4.100 0.379 3.231) 5.234 24.046 ( -7.428 -7.268 -3.354) 10.920 24.046 ( 7.428 -7.268 -3.354) 10.920 25.170 ( -4.686 2.890 5.169) 7.552 25.170 ( 4.686 2.890 5.169) 7.552 25.470 ( -5.593 -3.172 -8.854) 10.942 25.470 ( 5.593 -3.172 -8.854) 10.942 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 0.000 9.866 19.779) 22.103 2.963 ( 0.000 10.872 9.312) 14.315 3.095 ( 0.000 10.730 14.494) 18.034 3.134 ( 0.000 10.958 15.310) 18.827 3.291 ( 0.000 0.693 1.183) 1.371 3.379 ( 0.000 2.032 3.676) 4.200 3.427 ( 0.000 2.930 4.286) 5.192 3.483 ( 0.000 1.299 13.753) 13.814 3.608 ( 0.000 3.917 6.522) 7.607 3.689 ( 0.000 8.363 -12.369) 14.931 3.727 ( 0.000 -3.690 4.447) 5.779 3.769 ( 0.000 13.951 -12.274) 18.582 3.847 ( 0.000 3.198 -7.555) 8.204 3.896 ( 0.000 4.574 -15.335) 16.003 4.139 ( 0.000 -0.892 -12.495) 12.527 4.146 ( 0.000 -8.620 -0.344) 8.627 4.439 ( 0.000 9.151 -8.841) 12.724 4.641 ( 0.000 -5.450 -12.399) 13.544 4.689 ( 0.000 -13.055 6.758) 14.700 4.774 ( 0.000 -4.583 4.783) 6.624 4.883 ( 0.000 -12.164 22.731) 25.781 5.047 ( 0.000 8.706 -8.414) 12.107 5.215 ( 0.000 -11.810 -9.891) 15.405 5.686 ( 0.000 -2.171 1.437) 2.604 5.761 ( 0.000 -5.265 1.410) 5.450 5.956 ( 0.000 4.319 3.880) 5.806 6.067 ( 0.000 -2.161 7.739) 8.035 6.103 ( 0.000 -0.258 -3.955) 3.963 6.276 ( 0.000 -2.780 -0.412) 2.811 6.327 ( 0.000 6.006 0.567) 6.033 6.329 ( 0.000 -0.210 5.360) 5.364 6.650 ( 0.000 1.956 -7.332) 7.588 6.682 ( 0.000 -0.495 9.567) 9.580 6.700 ( 0.000 2.827 -0.747) 2.924 6.935 ( 0.000 5.696 -6.782) 8.857 7.060 ( 0.000 9.585 10.199) 13.996 7.076 ( 0.000 3.468 -4.540) 5.713 7.119 ( 0.000 5.155 6.355) 8.183 7.320 ( 0.000 4.066 -0.269) 4.075 7.390 ( 0.000 2.698 3.744) 4.615 7.437 ( 0.000 -0.069 1.253) 1.254 7.562 ( 0.000 0.345 0.637) 0.724 7.772 ( 0.000 0.278 -5.318) 5.326 7.774 ( 0.000 2.609 4.875) 5.529 7.899 ( 0.000 3.401 -6.018) 6.912 8.145 ( 0.000 -1.798 7.487) 7.700 8.211 ( 0.000 0.651 9.588) 9.610 8.316 ( 0.000 -1.687 8.215) 8.387 8.360 ( 0.000 3.989 -8.277) 9.188 8.574 ( 0.000 0.237 -10.962) 10.964 8.724 ( 0.000 0.937 -4.678) 4.771 8.887 ( 0.000 9.174 -17.493) 19.753 9.100 ( 0.000 5.125 9.748) 11.013 9.363 ( 0.000 7.647 5.007) 9.140 9.436 ( 0.000 7.846 -7.048) 10.547 9.542 ( 0.000 1.571 -10.013) 10.135 9.664 ( 0.000 -0.557 16.381) 16.391 9.752 ( 0.000 0.462 10.531) 10.541 10.066 ( 0.000 3.540 1.732) 3.941 10.111 ( 0.000 -0.702 -2.688) 2.778 10.151 ( 0.000 1.130 0.500) 1.236 10.234 ( 0.000 -3.297 5.168) 6.130 10.266 ( 0.000 7.715 -9.177) 11.989 10.514 ( 0.000 2.094 -0.202) 2.104 10.808 ( 0.000 4.374 4.598) 6.346 10.890 ( 0.000 -2.007 -1.519) 2.517 11.062 ( 0.000 -0.172 -6.579) 6.582 11.096 ( 0.000 -4.465 -6.617) 7.983 12.085 ( 0.000 1.775 13.459) 13.576 12.235 ( 0.000 3.800 14.865) 15.343 12.421 ( 0.000 -2.386 1.715) 2.938 12.538 ( 0.000 -6.064 7.108) 9.343 12.741 ( 0.000 -0.356 -11.240) 11.245 12.784 ( 0.000 5.729 -12.226) 13.502 12.788 ( 0.000 2.723 -7.457) 7.939 12.958 ( 0.000 1.598 -8.662) 8.808 13.596 ( 0.000 0.086 2.753) 2.754 13.763 ( 0.000 6.456 1.747) 6.688 13.901 ( 0.000 -11.743 0.712) 11.764 14.028 ( 0.000 -14.385 0.537) 14.395 14.032 ( 0.000 -5.887 -7.347) 9.415 14.193 ( 0.000 1.953 -9.460) 9.660 14.213 ( 0.000 -5.219 -9.146) 10.530 14.334 ( 0.000 -12.312 -8.745) 15.102 16.309 ( 0.000 7.316 0.747) 7.354 16.378 ( 0.000 9.113 -4.128) 10.005 16.862 ( 0.000 -13.565 5.349) 14.581 16.957 ( 0.000 10.689 1.575) 10.805 17.097 ( 0.000 -13.078 -0.130) 13.079 17.336 ( 0.000 11.126 -17.176) 20.465 17.566 ( 0.000 -10.190 0.222) 10.193 17.948 ( 0.000 -7.905 -14.032) 16.105 20.080 ( 0.000 17.456 16.104) 23.749 20.179 ( 0.000 1.824 21.818) 21.894 20.204 ( 0.000 2.587 10.143) 10.467 20.775 ( 0.000 3.443 -8.170) 8.866 21.181 ( 0.000 -12.218 22.443) 25.553 21.269 ( 0.000 -4.188 3.568) 5.502 21.498 ( 0.000 3.872 -6.309) 7.402 21.965 ( 0.000 -12.319 -14.499) 19.026 23.749 ( 0.000 -3.766 3.831) 5.372 23.885 ( 0.000 -8.277 4.348) 9.350 23.892 ( 0.000 3.756 -5.497) 6.658 24.088 ( 0.000 -6.078 -5.824) 8.418 25.170 ( 0.000 5.414 1.000) 5.506 25.261 ( 0.000 -0.562 3.476) 3.521 25.315 ( 0.000 -0.216 -6.423) 6.426 25.485 ( 0.000 -4.848 -6.967) 8.488 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 2.354 10.090 14.537) 17.851 2.992 ( 2.946 8.558 11.849) 14.910 3.062 ( -2.164 11.718 12.816) 17.499 3.175 ( 2.338 7.200 16.123) 17.812 3.243 ( -3.827 7.486 7.294) 11.131 3.363 ( -3.591 0.811 9.725) 10.399 3.398 ( -0.683 1.888 6.552) 6.853 3.506 ( 2.874 5.512 -0.978) 6.293 3.513 ( -6.562 5.712 -2.943) 9.184 3.699 ( 1.876 4.985 -9.620) 10.996 3.748 ( -6.369 6.227 -6.943) 11.294 3.803 ( 1.190 7.902 -5.430) 9.662 3.843 ( 9.137 -2.282 7.211) 11.861 3.985 ( 5.628 0.880 -9.299) 10.905 4.148 ( 1.519 -4.977 -6.419) 8.263 4.229 ( 5.138 -5.673 -7.178) 10.493 4.379 ( -3.268 9.956 -7.276) 12.757 4.545 ( -7.441 -6.634 -3.230) 10.479 4.564 ( -7.490 -4.184 -5.344) 10.107 4.731 ( -9.852 -6.139 5.901) 13.022 4.978 ( 10.740 -7.140 5.822) 14.150 5.119 ( 4.448 -0.132 1.617) 4.734 5.314 ( 9.454 -10.788 -8.942) 16.903 5.649 ( -5.824 -8.571 -9.993) 14.396 5.739 ( 0.017 1.824 12.807) 12.936 5.923 ( -5.909 2.220 6.504) 9.063 6.034 ( -0.442 -1.232 6.426) 6.558 6.125 ( -0.832 0.381 0.420) 1.007 6.235 ( 0.347 3.093 4.337) 5.338 6.317 ( 2.862 -1.905 -4.153) 5.391 6.357 ( -0.854 3.361 -1.503) 3.779 6.579 ( -8.754 -2.437 -6.299) 11.056 6.701 ( 5.379 4.862 3.994) 8.278 6.804 ( 5.592 1.777 3.728) 6.952 6.953 ( 2.544 4.695 -0.234) 5.345 7.075 ( 0.809 4.294 -2.459) 5.014 7.098 ( -1.805 5.442 3.804) 6.880 7.110 ( 2.728 8.443 8.954) 12.606 7.341 ( 3.111 4.101 -2.489) 5.717 7.367 ( -0.336 1.779 5.629) 5.913 7.468 ( 0.219 -2.175 3.055) 3.757 7.541 ( -2.491 3.587 -2.314) 4.943 7.742 ( -1.405 1.617 -1.249) 2.480 7.780 ( 0.763 0.397 2.461) 2.607 7.909 ( -0.426 2.620 -5.530) 6.134 7.985 ( -10.244 -1.146 7.938) 13.010 8.209 ( -0.369 0.555 -0.300) 0.731 8.358 ( -1.701 3.925 -5.611) 7.055 8.454 ( 8.772 -1.538 6.658) 11.120 8.540 ( 0.649 -1.050 -3.713) 3.913 8.775 ( 2.763 3.427 -7.010) 8.277 8.907 ( -0.518 12.527 -12.188) 17.485 9.093 ( 2.275 1.337 4.149) 4.917 9.332 ( -5.160 3.466 0.843) 6.273 9.393 ( -1.988 8.532 -7.308) 11.409 9.477 ( -3.604 4.176 -1.945) 5.849 9.744 ( 1.390 0.027 8.718) 8.828 9.761 ( 2.942 1.343 14.353) 14.713 10.028 ( -0.932 0.714 -1.130) 1.630 10.095 ( 0.202 3.211 1.640) 3.611 10.163 ( -0.893 -0.891 1.285) 1.801 10.197 ( -2.331 -0.428 5.108) 5.631 10.352 ( 5.964 3.800 -7.991) 10.671 10.497 ( -2.195 2.555 -2.926) 4.462 10.812 ( 1.815 3.936 4.473) 6.229 10.902 ( -0.096 0.156 -0.303) 0.354 11.079 ( 1.600 -1.430 -7.800) 8.090 11.099 ( 0.293 -4.529 -7.591) 8.844 12.065 ( -1.214 0.874 13.884) 13.964 12.169 ( -5.824 2.409 14.267) 15.597 12.466 ( 3.472 -1.803 2.820) 4.823 12.527 ( -1.016 -3.692 3.945) 5.498 12.749 ( 1.167 0.509 -9.679) 9.762 12.771 ( -0.815 2.748 -9.079) 9.521 12.839 ( 4.173 3.518 -9.238) 10.730 12.949 ( -1.189 2.135 -7.997) 8.362 13.611 ( 1.621 0.405 3.095) 3.518 13.720 ( -3.969 3.824 2.895) 6.225 13.904 ( 0.538 -9.790 -2.065) 10.020 13.990 ( -3.816 -6.439 -8.146) 11.063 14.058 ( 2.838 -10.852 -0.121) 11.217 14.151 ( -2.277 -1.420 -5.827) 6.415 14.278 ( 3.922 -4.994 -9.862) 11.730 14.337 ( 0.173 -11.217 -9.073) 14.428 16.353 ( 4.892 6.044 1.255) 7.876 16.435 ( 5.697 6.856 -2.796) 9.343 16.715 ( -8.997 0.739 -1.404) 9.136 16.921 ( -13.592 -1.398 -7.986) 15.826 17.116 ( 9.822 -2.279 6.346) 11.914 17.362 ( -1.640 -4.763 4.616) 6.833 17.646 ( 8.638 -4.731 -12.707) 16.077 17.912 ( -4.107 -7.216 -14.603) 16.798 20.077 ( 0.528 10.126 19.019) 21.553 20.171 ( -3.232 2.735 13.312) 13.969 20.257 ( 7.817 8.195 14.425) 18.340 20.658 ( -11.760 9.574 -4.938) 15.948 21.154 ( 0.788 -13.803 20.681) 24.877 21.271 ( -2.309 -6.910 5.716) 9.260 21.624 ( 11.539 0.433 -9.098) 14.701 21.932 ( -3.984 -10.217 -14.504) 18.183 23.768 ( 2.097 -4.326 3.904) 6.193 23.857 ( -2.070 -5.461 3.282) 6.699 23.921 ( 2.325 0.828 -4.453) 5.091 24.051 ( -3.771 -4.255 -5.554) 7.949 25.185 ( 1.593 4.408 1.410) 4.894 25.249 ( -1.301 0.191 3.162) 3.424 25.344 ( 3.077 -1.241 -6.563) 7.354 25.464 ( -2.321 -4.404 -6.943) 8.543 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -3.025 9.280 9.030) 13.298 2.989 ( 3.025 9.280 9.030) 13.298 3.102 ( -6.284 8.108 16.778) 19.666 3.102 ( 6.284 8.108 16.778) 19.666 3.288 ( -5.175 6.675 13.266) 15.726 3.288 ( 5.175 6.675 13.266) 15.726 3.410 ( -3.106 4.425 -3.226) 6.296 3.410 ( 3.106 4.425 -3.226) 6.296 3.614 ( -7.228 3.784 -3.500) 8.878 3.614 ( 7.228 3.784 -3.500) 8.878 3.768 ( -3.763 8.724 -6.156) 11.321 3.768 ( 3.763 8.724 -6.156) 11.321 4.002 ( -6.176 -7.088 6.270) 11.300 4.002 ( 6.176 -7.088 6.270) 11.300 4.191 ( -4.629 -0.057 -11.715) 12.597 4.191 ( 4.629 -0.057 -11.715) 12.597 4.446 ( -5.518 1.962 -5.066) 7.744 4.446 ( 5.518 1.962 -5.066) 7.744 4.544 ( -9.007 -4.928 -3.117) 10.730 4.544 ( 9.007 -4.928 -3.117) 10.730 5.126 ( -4.555 -5.292 3.403) 7.767 5.126 ( 4.555 -5.292 3.403) 7.767 5.496 ( -10.440 -10.262 -8.462) 16.909 5.496 ( 10.440 -10.262 -8.462) 16.909 5.793 ( -6.247 2.820 10.847) 12.831 5.793 ( 6.247 2.820 10.847) 12.831 6.071 ( -3.536 -0.147 5.074) 6.186 6.071 ( 3.536 -0.147 5.074) 6.186 6.303 ( -4.260 4.267 0.378) 6.041 6.303 ( 4.260 4.267 0.378) 6.041 6.419 ( -8.083 -2.624 -7.969) 11.650 6.419 ( 8.083 -2.624 -7.969) 11.650 6.801 ( -4.662 2.987 4.797) 7.326 6.801 ( 4.662 2.987 4.797) 7.326 7.029 ( -5.049 6.203 1.185) 8.086 7.029 ( 5.049 6.203 1.185) 8.086 7.118 ( -2.163 4.728 5.974) 7.920 7.118 ( 2.163 4.728 5.974) 7.920 7.391 ( -2.210 1.009 3.587) 4.332 7.391 ( 2.210 1.009 3.587) 4.332 7.468 ( -5.095 3.397 -2.836) 6.748 7.468 ( 5.095 3.397 -2.836) 6.748 7.775 ( -3.521 -1.468 0.500) 3.847 7.775 ( 3.521 -1.468 0.500) 3.847 7.875 ( -0.747 2.394 1.581) 2.964 7.875 ( 0.747 2.394 1.581) 2.964 8.270 ( -6.078 1.236 -5.156) 8.066 8.270 ( 6.078 1.236 -5.156) 8.066 8.560 ( -2.011 -0.954 3.926) 4.513 8.560 ( 2.011 -0.954 3.926) 4.513 8.833 ( -5.208 9.473 -8.520) 13.765 8.833 ( 5.208 9.473 -8.520) 13.765 9.208 ( -8.476 0.360 -0.307) 8.489 9.208 ( 8.476 0.360 -0.307) 8.489 9.409 ( -3.724 7.865 -5.995) 10.567 9.409 ( 3.724 7.865 -5.995) 10.567 9.766 ( -1.639 1.462 12.475) 12.667 9.766 ( 1.639 1.462 12.475) 12.667 10.074 ( -3.716 -0.700 1.990) 4.273 10.074 ( 3.716 -0.700 1.990) 4.273 10.157 ( -1.569 1.000 3.531) 3.992 10.157 ( 1.569 1.000 3.531) 3.992 10.440 ( -4.079 3.120 -6.098) 7.973 10.440 ( 4.079 3.120 -6.098) 7.973 10.868 ( -3.438 2.828 2.116) 4.929 10.868 ( 3.438 2.828 2.116) 4.929 11.100 ( -0.503 -3.668 -8.777) 9.526 11.100 ( 0.503 -3.668 -8.777) 9.526 12.080 ( -3.339 0.824 14.477) 14.880 12.080 ( 3.339 0.824 14.477) 14.880 12.508 ( -1.353 -1.634 2.187) 3.047 12.508 ( 1.353 -1.634 2.187) 3.047 12.763 ( -0.289 1.045 -8.622) 8.690 12.763 ( 0.289 1.045 -8.622) 8.690 12.909 ( -3.377 3.066 -7.853) 9.081 12.909 ( 3.377 3.066 -7.853) 9.081 13.653 ( -3.222 1.542 3.607) 5.076 13.653 ( 3.222 1.542 3.607) 5.076 13.930 ( -2.570 -7.583 -6.447) 10.280 13.930 ( 2.570 -7.583 -6.447) 10.280 14.109 ( -2.682 -5.623 -2.239) 6.620 14.109 ( 2.682 -5.623 -2.239) 6.620 14.327 ( -1.607 -8.294 -9.551) 12.751 14.327 ( 1.607 -8.294 -9.551) 12.751 16.459 ( -5.541 2.678 3.135) 6.906 16.459 ( 5.541 2.678 3.135) 6.906 16.697 ( -9.446 6.014 -10.623) 15.435 16.697 ( 9.446 6.014 -10.623) 15.435 17.273 ( -7.576 -6.814 9.738) 14.095 17.273 ( 7.576 -6.814 9.738) 14.095 17.804 ( -8.081 -5.382 -15.745) 18.498 17.804 ( 8.081 -5.382 -15.745) 18.498 20.110 ( -3.131 4.440 17.848) 18.656 20.110 ( 3.131 4.440 17.848) 18.656 20.436 ( -12.205 12.014 4.597) 17.732 20.436 ( 12.205 12.014 4.597) 17.732 21.206 ( -4.198 -11.223 12.733) 17.484 21.206 ( 4.198 -11.223 12.733) 17.484 21.816 ( -9.252 -5.325 -13.109) 16.906 21.816 ( 9.252 -5.325 -13.109) 16.906 23.814 ( -2.754 -5.310 3.959) 7.173 23.814 ( 2.754 -5.310 3.959) 7.173 23.977 ( -4.057 -0.741 -5.214) 6.648 23.977 ( 4.057 -0.741 -5.214) 6.648 25.218 ( -2.012 2.170 2.337) 3.771 25.218 ( 2.012 2.170 2.337) 3.771 25.408 ( -3.762 -3.092 -6.811) 8.373 25.408 ( 3.762 -3.092 -6.811) 8.373 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 0.000 8.284 17.324) 19.203 3.134 ( 0.000 7.217 9.864) 12.222 3.219 ( 0.000 -3.356 13.004) 13.430 3.234 ( 0.000 -1.661 13.316) 13.419 3.361 ( 0.000 9.298 9.551) 13.330 3.409 ( 0.000 0.074 8.903) 8.904 3.471 ( 0.000 1.102 13.271) 13.317 3.504 ( 0.000 6.919 6.529) 9.513 3.629 ( 0.000 -2.407 1.081) 2.639 3.639 ( 0.000 -7.375 1.766) 7.583 3.877 ( 0.000 3.709 -3.796) 5.307 3.900 ( 0.000 -2.038 -4.965) 5.367 3.982 ( 0.000 12.542 0.386) 12.548 4.025 ( 0.000 6.403 -9.788) 11.696 4.102 ( 0.000 0.912 -15.669) 15.695 4.118 ( 0.000 10.265 -5.293) 11.550 4.382 ( 0.000 -17.880 -6.699) 19.094 4.420 ( 0.000 -14.896 -11.043) 18.543 4.666 ( 0.000 11.296 0.731) 11.320 4.699 ( 0.000 -0.328 -7.311) 7.318 4.704 ( 0.000 -4.946 15.800) 16.556 4.950 ( 0.000 -14.646 -13.364) 19.827 5.285 ( 0.000 13.413 -12.908) 18.616 5.528 ( 0.000 -11.367 -14.341) 18.299 5.821 ( 0.000 7.352 12.970) 14.909 5.969 ( 0.000 -7.149 9.080) 11.556 6.056 ( 0.000 5.288 2.156) 5.711 6.101 ( 0.000 0.095 -3.054) 3.055 6.211 ( 0.000 -2.427 1.139) 2.681 6.252 ( 0.000 -5.747 5.146) 7.714 6.454 ( 0.000 6.703 -1.152) 6.802 6.574 ( 0.000 -5.452 -3.300) 6.373 6.744 ( 0.000 2.001 7.102) 7.379 6.747 ( 0.000 1.459 3.904) 4.168 7.041 ( 0.000 4.688 -2.367) 5.252 7.096 ( 0.000 -0.680 -1.831) 1.953 7.229 ( 0.000 5.546 3.876) 6.766 7.286 ( 0.000 10.868 9.658) 14.539 7.317 ( 0.000 -3.224 3.584) 4.820 7.421 ( 0.000 -1.465 6.751) 6.908 7.489 ( 0.000 3.036 -3.084) 4.328 7.530 ( 0.000 -2.551 -1.587) 3.005 7.780 ( 0.000 0.605 -4.243) 4.286 7.791 ( 0.000 -0.317 -3.073) 3.089 8.003 ( 0.000 6.066 2.240) 6.467 8.096 ( 0.000 -3.460 6.302) 7.189 8.224 ( 0.000 1.872 12.326) 12.468 8.276 ( 0.000 -2.676 9.844) 10.202 8.458 ( 0.000 4.992 -12.517) 13.476 8.541 ( 0.000 -3.438 -11.385) 11.893 8.764 ( 0.000 3.758 -9.865) 10.556 8.865 ( 0.000 -5.762 -15.452) 16.492 9.329 ( 0.000 12.066 5.308) 13.182 9.451 ( 0.000 0.164 5.636) 5.638 9.545 ( 0.000 2.666 -0.833) 2.793 9.560 ( 0.000 0.091 -3.145) 3.146 9.693 ( 0.000 3.455 11.331) 11.847 9.750 ( 0.000 -1.404 8.345) 8.462 10.094 ( 0.000 -0.496 7.152) 7.169 10.095 ( 0.000 -0.120 5.896) 5.897 10.156 ( 0.000 0.258 -0.647) 0.696 10.178 ( 0.000 -2.245 -1.208) 2.550 10.413 ( 0.000 7.004 -10.053) 12.252 10.517 ( 0.000 -2.926 -8.632) 9.115 10.873 ( 0.000 2.194 3.603) 4.219 10.877 ( 0.000 0.977 3.235) 3.379 11.029 ( 0.000 -2.170 -4.446) 4.947 11.035 ( 0.000 -2.136 -3.780) 4.342 12.155 ( 0.000 5.717 11.975) 13.270 12.301 ( 0.000 -8.567 8.613) 12.148 12.338 ( 0.000 6.125 14.160) 15.428 12.444 ( 0.000 -4.429 10.824) 11.695 12.760 ( 0.000 2.740 -9.913) 10.285 12.824 ( 0.000 -2.179 -10.518) 10.741 12.873 ( 0.000 5.592 -6.202) 8.351 12.954 ( 0.000 -1.938 -8.061) 8.291 13.607 ( 0.000 1.420 0.292) 1.450 13.696 ( 0.000 -8.744 1.578) 8.885 13.845 ( 0.000 1.641 -5.449) 5.691 13.866 ( 0.000 -2.360 -4.449) 5.036 13.968 ( 0.000 0.284 -5.975) 5.982 14.053 ( 0.000 -8.317 -8.028) 11.559 14.214 ( 0.000 0.514 -11.052) 11.064 14.227 ( 0.000 -1.229 -11.640) 11.704 16.446 ( 0.000 7.845 2.361) 8.192 16.595 ( 0.000 12.434 -3.392) 12.889 16.625 ( 0.000 -10.772 4.212) 11.566 16.843 ( 0.000 -13.069 -2.230) 13.258 17.162 ( 0.000 10.525 1.471) 10.628 17.365 ( 0.000 -10.481 0.932) 10.522 17.556 ( 0.000 11.412 -16.772) 20.287 17.769 ( 0.000 -10.373 -15.906) 18.989 20.213 ( 0.000 1.393 22.243) 22.286 20.225 ( 0.000 0.252 17.966) 17.967 20.413 ( 0.000 16.297 13.364) 21.076 20.698 ( 0.000 -11.828 4.169) 12.541 21.081 ( 0.000 2.330 11.606) 11.837 21.172 ( 0.000 -5.547 4.789) 7.329 21.600 ( 0.000 6.574 -9.521) 11.570 21.754 ( 0.000 -9.407 -12.477) 15.626 23.710 ( 0.000 -0.023 5.447) 5.447 23.754 ( 0.000 -4.643 5.359) 7.091 23.950 ( 0.000 2.494 -7.961) 8.343 24.002 ( 0.000 -3.251 -8.046) 8.678 25.247 ( 0.000 1.874 -0.184) 1.883 25.255 ( 0.000 0.015 1.351) 1.351 25.323 ( 0.000 2.058 -4.723) 5.152 25.394 ( 0.000 -4.460 -5.471) 7.058 ======================= Grid point 201 (74/90) ======================= q-point: ( 0.25 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 1.214 6.599 15.679) 17.054 3.137 ( 0.123 5.997 11.653) 13.106 3.211 ( 0.529 -0.806 11.986) 12.024 3.255 ( 1.290 2.533 12.970) 13.278 3.323 ( -2.409 3.961 6.876) 8.293 3.389 ( -3.996 -0.060 14.803) 15.333 3.503 ( 0.440 2.028 2.966) 3.619 3.515 ( 4.266 6.603 7.301) 10.728 3.583 ( -0.851 -2.640 3.317) 4.324 3.729 ( 5.344 -3.500 -1.802) 6.637 3.802 ( -5.233 3.031 1.659) 6.271 3.925 ( -0.101 -3.729 -2.241) 4.352 3.949 ( -1.306 12.354 -3.943) 13.033 4.018 ( -1.223 7.019 -6.053) 9.349 4.105 ( 1.342 1.595 -9.110) 9.345 4.167 ( 1.212 -0.534 -7.472) 7.588 4.319 ( -3.157 -12.085 -7.157) 14.396 4.380 ( -3.682 -10.711 -9.759) 14.951 4.608 ( -1.791 6.512 8.513) 10.867 4.714 ( -1.197 4.813 5.904) 7.711 4.841 ( 12.039 -3.987 -7.932) 14.958 5.041 ( 7.975 -12.712 -16.070) 21.987 5.255 ( -2.909 8.790 -13.028) 15.983 5.457 ( -7.509 -10.490 -14.313) 19.269 5.809 ( -0.621 4.066 12.662) 13.313 5.913 ( -5.531 -3.245 7.211) 9.650 6.042 ( 0.978 2.193 8.010) 8.362 6.134 ( -0.939 0.538 2.220) 2.470 6.238 ( 5.042 -0.809 -0.346) 5.118 6.275 ( 3.270 -2.904 -1.549) 4.639 6.429 ( -2.982 4.283 -3.662) 6.375 6.510 ( -6.463 -3.972 -4.780) 8.966 6.771 ( 4.908 1.922 10.046) 11.344 6.853 ( 5.451 2.062 4.506) 7.367 7.014 ( 0.168 1.931 0.078) 1.940 7.107 ( 1.094 0.391 5.625) 5.743 7.218 ( -1.236 5.752 1.780) 6.146 7.285 ( -2.659 3.732 1.910) 4.964 7.336 ( 1.953 0.951 8.200) 8.482 7.435 ( 0.289 -0.253 6.458) 6.470 7.456 ( 0.981 1.584 -3.620) 4.072 7.568 ( 1.901 -0.036 -2.620) 3.237 7.756 ( -0.827 -0.071 -3.002) 3.114 7.801 ( -2.131 1.349 0.347) 2.546 7.952 ( -2.977 0.909 -1.867) 3.630 7.978 ( -6.968 0.679 6.976) 9.883 8.211 ( -1.997 -0.024 0.612) 2.089 8.411 ( -0.732 1.201 -5.224) 5.410 8.444 ( 5.383 0.644 3.663) 6.543 8.503 ( 2.526 -2.147 -2.442) 4.117 8.846 ( 6.723 3.305 -13.399) 15.351 8.970 ( 9.043 -2.485 -13.062) 16.080 9.231 ( -9.085 9.104 4.541) 13.640 9.347 ( -9.226 -1.864 4.327) 10.359 9.538 ( -1.215 5.002 -7.017) 8.702 9.558 ( -0.070 3.128 -1.052) 3.301 9.739 ( 2.961 -0.764 10.261) 10.707 9.788 ( 3.883 0.832 14.925) 15.445 10.035 ( -2.917 0.758 6.967) 7.591 10.101 ( -4.178 -2.701 5.621) 7.506 10.151 ( 2.435 1.486 1.862) 3.406 10.193 ( 0.450 -0.794 -1.021) 1.369 10.438 ( 2.493 4.309 -9.648) 10.856 10.512 ( -0.813 -1.317 -8.665) 8.802 10.874 ( 1.506 2.227 3.505) 4.417 10.903 ( 1.226 0.573 1.570) 2.073 11.027 ( 0.093 -2.621 -4.848) 5.512 11.043 ( 0.332 -1.850 -5.297) 5.621 12.104 ( -2.566 2.359 13.679) 14.116 12.235 ( -8.055 3.093 14.263) 16.670 12.382 ( 6.024 -4.526 8.208) 11.142 12.478 ( 1.140 -1.653 9.124) 9.342 12.764 ( 0.843 1.761 -9.819) 10.011 12.831 ( -2.581 2.048 -7.470) 8.164 12.868 ( 3.048 -0.010 -9.361) 9.845 12.957 ( -0.521 -1.073 -6.971) 7.072 13.620 ( 1.383 0.695 1.535) 2.180 13.678 ( -1.656 -5.834 2.289) 6.482 13.833 ( 0.463 0.884 -5.623) 5.711 13.904 ( -2.011 -0.684 -1.852) 2.818 13.955 ( 4.353 -1.564 -9.719) 10.764 14.101 ( 2.740 -5.021 -7.769) 9.648 14.173 ( -2.817 -1.420 -10.612) 11.070 14.227 ( -1.017 -2.345 -12.237) 12.501 16.458 ( 1.275 4.925 3.785) 6.341 16.542 ( -3.386 0.964 3.735) 5.133 16.691 ( 5.019 1.092 -4.897) 7.097 16.840 ( -1.087 -5.708 -7.976) 9.868 17.161 ( 0.275 5.169 5.213) 7.346 17.281 ( -6.424 -4.888 4.018) 9.017 17.633 ( 5.910 3.792 -16.493) 17.925 17.761 ( -1.139 -7.888 -16.336) 18.176 20.178 ( -2.299 2.250 21.359) 21.600 20.196 ( -2.639 0.148 19.098) 19.280 20.498 ( 8.255 14.007 10.570) 19.393 20.745 ( 2.943 -5.632 -4.307) 7.677 20.969 ( -7.371 -0.553 21.565) 22.797 21.129 ( -6.325 -6.987 7.661) 12.145 21.657 ( 5.578 2.745 -11.076) 12.701 21.771 ( 0.753 -6.093 -13.195) 14.553 23.717 ( 0.758 -0.787 5.451) 5.559 23.750 ( -0.531 -3.775 5.329) 6.552 23.955 ( 0.605 1.664 -7.819) 8.017 23.992 ( -1.027 -2.201 -7.897) 8.262 25.250 ( 0.293 1.300 0.269) 1.360 25.256 ( 0.064 1.095 0.724) 1.314 25.332 ( 0.998 0.573 -4.719) 4.857 25.384 ( -1.125 -3.678 -5.370) 6.605 ======================= Grid point 202 (75/90) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -1.048 4.137 13.778) 14.423 3.129 ( 1.048 4.137 13.778) 14.423 3.245 ( -2.619 6.456 9.876) 12.086 3.245 ( 2.619 6.456 9.876) 12.086 3.320 ( -2.737 -1.153 11.960) 12.323 3.320 ( 2.737 -1.153 11.960) 12.323 3.518 ( -1.658 1.627 3.359) 4.084 3.518 ( 1.658 1.627 3.359) 4.084 3.667 ( -7.366 3.956 -0.684) 8.389 3.667 ( 7.366 3.956 -0.684) 8.389 3.855 ( -6.055 -3.485 5.948) 9.175 3.855 ( 6.055 -3.485 5.948) 9.175 3.981 ( -2.944 8.776 -6.657) 11.402 3.981 ( 2.944 8.776 -6.657) 11.402 4.140 ( -2.618 -5.280 -6.881) 9.060 4.140 ( 2.618 -5.280 -6.881) 9.060 4.320 ( -2.735 -7.033 -7.653) 10.748 4.320 ( 2.735 -7.033 -7.653) 10.748 4.648 ( -4.964 7.204 7.187) 11.322 4.648 ( 4.964 7.204 7.187) 11.322 5.049 ( -9.215 -2.418 -15.220) 17.956 5.049 ( 9.215 -2.418 -15.220) 17.956 5.298 ( -9.049 -7.745 -13.263) 17.827 5.298 ( 9.049 -7.745 -13.263) 17.827 5.828 ( -3.200 0.616 10.391) 10.890 5.828 ( 3.200 0.616 10.391) 10.890 6.084 ( -3.316 1.135 8.059) 8.788 6.084 ( 3.316 1.135 8.059) 8.788 6.348 ( -2.099 -1.000 -6.723) 7.114 6.348 ( 2.099 -1.000 -6.723) 7.114 6.377 ( -5.538 0.214 -2.847) 6.230 6.377 ( 5.538 0.214 -2.847) 6.230 6.857 ( -3.758 2.296 8.098) 9.218 6.857 ( 3.758 2.296 8.098) 9.218 7.091 ( -5.535 0.728 8.876) 10.486 7.091 ( 5.535 0.728 8.876) 10.486 7.212 ( -3.538 3.328 -1.980) 5.246 7.212 ( 3.538 3.328 -1.980) 5.246 7.387 ( -4.056 -0.177 8.499) 9.419 7.387 ( 4.056 -0.177 8.499) 9.419 7.549 ( -5.332 2.772 -5.499) 8.146 7.549 ( 5.332 2.772 -5.499) 8.146 7.762 ( -2.046 -0.026 -1.068) 2.308 7.762 ( 2.046 -0.026 -1.068) 2.308 7.903 ( -1.111 0.553 2.837) 3.097 7.903 ( 1.111 0.553 2.837) 3.097 8.276 ( -8.172 -0.108 -7.429) 11.044 8.276 ( 8.172 -0.108 -7.429) 11.044 8.549 ( -1.218 -0.186 5.511) 5.647 8.549 ( 1.218 -0.186 5.511) 5.647 8.988 ( -8.822 5.315 -16.102) 19.114 8.988 ( 8.822 5.315 -16.102) 19.114 9.192 ( -7.604 -1.241 7.124) 10.493 9.192 ( 7.604 -1.241 7.124) 10.493 9.535 ( -1.325 3.939 -7.720) 8.767 9.535 ( 1.325 3.939 -7.720) 8.767 9.803 ( -2.839 1.668 15.616) 15.960 9.803 ( 2.839 1.668 15.616) 15.960 10.029 ( -2.814 -2.186 7.202) 8.035 10.029 ( 2.814 -2.186 7.202) 8.035 10.186 ( -1.280 0.952 0.493) 1.670 10.186 ( 1.280 0.952 0.493) 1.670 10.483 ( -2.344 1.227 -8.732) 9.124 10.483 ( 2.344 1.227 -8.732) 9.124 10.905 ( -1.183 1.233 1.497) 2.272 10.905 ( 1.183 1.233 1.497) 2.272 11.036 ( -0.881 -2.424 -5.996) 6.528 11.036 ( 0.881 -2.424 -5.996) 6.528 12.117 ( -4.311 2.015 14.936) 15.676 12.117 ( 4.311 2.015 14.936) 15.676 12.463 ( -2.842 -2.110 7.740) 8.511 12.463 ( 2.842 -2.110 7.740) 8.511 12.788 ( -1.869 1.546 -9.147) 9.463 12.788 ( 1.869 1.546 -9.147) 9.463 12.926 ( -2.836 -0.964 -7.313) 7.903 12.926 ( 2.836 -0.964 -7.313) 7.903 13.648 ( -1.674 -1.767 3.097) 3.939 13.648 ( 1.674 -1.767 3.097) 3.939 13.858 ( -2.179 0.623 -5.534) 5.980 13.858 ( 2.179 0.623 -5.534) 5.980 14.057 ( -5.760 -0.855 -7.375) 9.397 14.057 ( 5.760 -0.855 -7.375) 9.397 14.191 ( -2.848 -4.893 -11.806) 13.093 14.191 ( 2.848 -4.893 -11.806) 13.093 16.490 ( -2.431 0.686 5.392) 5.955 16.490 ( 2.431 0.686 5.392) 5.955 16.785 ( -4.983 2.538 -11.297) 12.605 16.785 ( 4.983 2.538 -11.297) 12.605 17.191 ( -3.446 -1.891 8.406) 9.279 17.191 ( 3.446 -1.891 8.406) 9.279 17.720 ( -3.685 -2.638 -16.789) 17.390 17.720 ( 3.685 -2.638 -16.789) 17.390 20.162 ( -0.688 1.200 20.351) 20.398 20.162 ( 0.688 1.200 20.351) 20.398 20.666 ( -9.906 10.541 0.720) 14.483 20.666 ( 9.906 10.541 0.720) 14.483 20.989 ( -7.769 -10.105 17.649) 21.771 20.989 ( 7.769 -10.105 17.649) 21.771 21.748 ( -3.650 -1.783 -13.113) 13.728 21.748 ( 3.650 -1.783 -13.113) 13.728 23.735 ( -1.113 -2.242 5.376) 5.930 23.735 ( 1.113 -2.242 5.376) 5.930 23.971 ( -1.201 -0.146 -7.713) 7.808 23.971 ( 1.201 -0.146 -7.713) 7.808 25.255 ( -0.216 1.390 0.435) 1.473 25.255 ( 0.216 1.390 0.435) 1.473 25.357 ( -1.722 -1.843 -5.017) 5.615 25.357 ( 1.722 -1.843 -5.017) 5.615 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.000 0.000 -13.604) 13.604 2.792 ( 0.000 0.000 13.604) 13.604 2.844 ( 0.000 0.000 -2.954) 2.954 2.844 ( 0.000 0.000 2.954) 2.954 2.989 ( 0.000 0.000 -13.704) 13.704 2.989 ( 0.000 0.000 13.704) 13.704 3.052 ( 0.000 0.000 -2.712) 2.712 3.052 ( 0.000 0.000 2.712) 2.712 3.469 ( 0.000 0.000 -4.240) 4.240 3.469 ( 0.000 0.000 4.240) 4.240 3.591 ( 0.000 0.000 -11.365) 11.365 3.591 ( 0.000 0.000 11.365) 11.365 3.717 ( 0.000 0.000 -3.638) 3.638 3.717 ( 0.000 0.000 3.638) 3.638 4.161 ( 0.000 0.000 -10.775) 10.775 4.161 ( 0.000 0.000 10.775) 10.775 4.230 ( 0.000 0.000 -2.050) 2.050 4.230 ( 0.000 0.000 2.050) 2.050 5.103 ( 0.000 0.000 -8.840) 8.840 5.103 ( 0.000 0.000 8.840) 8.840 5.379 ( 0.000 0.000 -4.222) 4.222 5.379 ( 0.000 0.000 4.222) 4.222 5.798 ( 0.000 0.000 -1.767) 1.767 5.798 ( 0.000 0.000 1.767) 1.767 5.902 ( 0.000 0.000 -5.621) 5.621 5.902 ( 0.000 0.000 5.621) 5.621 5.939 ( 0.000 0.000 -1.599) 1.599 5.939 ( 0.000 0.000 1.599) 1.599 6.172 ( 0.000 0.000 -7.931) 7.931 6.172 ( 0.000 0.000 7.931) 7.931 6.422 ( 0.000 0.000 -5.685) 5.685 6.422 ( 0.000 0.000 5.685) 5.685 6.572 ( 0.000 0.000 -4.134) 4.134 6.572 ( 0.000 0.000 4.134) 4.134 6.807 ( 0.000 0.000 -7.640) 7.640 6.807 ( 0.000 0.000 7.640) 7.640 7.252 ( 0.000 0.000 -2.673) 2.673 7.252 ( 0.000 0.000 2.673) 2.673 7.335 ( 0.000 0.000 -6.647) 6.647 7.335 ( 0.000 0.000 6.647) 6.647 7.438 ( 0.000 0.000 -0.163) 0.163 7.438 ( 0.000 0.000 0.163) 0.163 7.486 ( 0.000 0.000 -2.969) 2.969 7.486 ( 0.000 0.000 2.969) 2.969 7.851 ( 0.000 0.000 -1.298) 1.298 7.851 ( 0.000 0.000 1.298) 1.298 8.307 ( 0.000 0.000 -5.524) 5.524 8.307 ( 0.000 0.000 5.524) 5.524 8.364 ( 0.000 0.000 -1.769) 1.769 8.364 ( 0.000 0.000 1.769) 1.769 8.629 ( 0.000 0.000 -3.635) 3.635 8.629 ( 0.000 0.000 3.635) 3.635 9.102 ( 0.000 0.000 -2.834) 2.834 9.102 ( 0.000 0.000 2.834) 2.834 9.223 ( 0.000 0.000 -15.048) 15.048 9.223 ( 0.000 0.000 15.048) 15.048 9.770 ( 0.000 0.000 -4.428) 4.428 9.770 ( 0.000 0.000 4.428) 4.428 9.953 ( 0.000 0.000 -1.180) 1.180 9.953 ( 0.000 0.000 1.180) 1.180 9.992 ( 0.000 0.000 -2.069) 2.069 9.992 ( 0.000 0.000 2.069) 2.069 10.470 ( 0.000 0.000 -6.661) 6.661 10.470 ( 0.000 0.000 6.661) 6.661 10.717 ( 0.000 0.000 -13.368) 13.368 10.717 ( 0.000 0.000 13.368) 13.368 10.978 ( 0.000 0.000 -19.562) 19.562 10.978 ( 0.000 0.000 19.562) 19.562 12.219 ( 0.000 0.000 -4.142) 4.142 12.219 ( 0.000 0.000 4.142) 4.142 12.366 ( 0.000 0.000 -8.996) 8.996 12.366 ( 0.000 0.000 8.996) 8.996 12.601 ( 0.000 0.000 -0.427) 0.427 12.601 ( 0.000 0.000 0.427) 0.427 12.715 ( 0.000 0.000 -0.668) 0.668 12.715 ( 0.000 0.000 0.668) 0.668 13.692 ( 0.000 0.000 -10.105) 10.105 13.692 ( 0.000 0.000 10.105) 10.105 14.147 ( 0.000 0.000 -8.105) 8.105 14.147 ( 0.000 0.000 8.105) 8.105 14.567 ( 0.000 0.000 -0.746) 0.746 14.567 ( 0.000 0.000 0.746) 0.746 14.713 ( 0.000 0.000 -4.051) 4.051 14.713 ( 0.000 0.000 4.051) 4.051 16.061 ( 0.000 0.000 -3.578) 3.578 16.061 ( 0.000 0.000 3.578) 3.578 16.636 ( 0.000 0.000 -9.707) 9.707 16.636 ( 0.000 0.000 9.707) 9.707 17.582 ( 0.000 0.000 -0.691) 0.691 17.582 ( 0.000 0.000 0.691) 0.691 18.020 ( 0.000 0.000 -1.036) 1.036 18.020 ( 0.000 0.000 1.036) 1.036 19.684 ( 0.000 0.000 -15.729) 15.729 19.684 ( 0.000 0.000 15.729) 15.729 20.362 ( 0.000 0.000 -8.485) 8.485 20.362 ( 0.000 0.000 8.485) 8.485 21.428 ( 0.000 0.000 -0.274) 0.274 21.428 ( 0.000 0.000 0.274) 0.274 22.149 ( 0.000 0.000 -20.044) 20.044 22.149 ( 0.000 0.000 20.044) 20.044 23.823 ( 0.000 0.000 -12.772) 12.772 23.823 ( 0.000 0.000 12.772) 12.772 24.354 ( 0.000 0.000 -13.242) 13.242 24.354 ( 0.000 0.000 13.242) 13.242 25.069 ( 0.000 0.000 -11.248) 11.248 25.069 ( 0.000 0.000 11.248) 11.248 25.466 ( 0.000 0.000 -11.876) 11.876 25.466 ( 0.000 0.000 11.876) 11.876 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.213 0.000 -11.228) 11.230 2.790 ( 0.213 0.000 11.228) 11.230 2.835 ( -1.147 0.000 -5.473) 5.591 2.835 ( -1.147 0.000 5.473) 5.591 3.004 ( 1.648 0.000 -7.182) 7.368 3.004 ( 1.648 0.000 7.182) 7.368 3.058 ( 0.114 0.000 -1.516) 1.521 3.058 ( 0.114 0.000 1.516) 1.521 3.429 ( -1.714 0.000 -5.256) 5.529 3.429 ( -1.714 0.000 5.256) 5.529 3.587 ( -9.256 0.000 -7.772) 12.086 3.587 ( -9.256 0.000 7.772) 12.086 3.709 ( 9.399 0.000 -5.800) 11.044 3.709 ( 9.399 0.000 5.800) 11.044 4.086 ( -8.196 0.000 -2.944) 8.709 4.086 ( -8.196 0.000 2.944) 8.709 4.408 ( 16.217 0.000 -8.104) 18.129 4.408 ( 16.217 0.000 8.104) 18.129 4.967 ( -12.599 0.000 -8.428) 15.158 4.967 ( -12.599 0.000 8.428) 15.158 5.492 ( 9.564 0.000 -4.131) 10.418 5.492 ( 9.564 0.000 4.131) 10.418 5.769 ( -3.829 0.000 -0.027) 3.830 5.769 ( -3.829 0.000 0.027) 3.830 5.875 ( -1.860 0.000 -6.106) 6.383 5.875 ( -1.860 0.000 6.106) 6.383 5.904 ( -3.097 0.000 -3.537) 4.701 5.904 ( -3.097 0.000 3.537) 4.701 6.226 ( 5.386 0.000 -6.252) 8.252 6.226 ( 5.386 0.000 6.252) 8.252 6.411 ( -2.496 0.000 -1.880) 3.125 6.411 ( -2.496 0.000 1.880) 3.125 6.593 ( 3.382 0.000 -3.050) 4.554 6.593 ( 3.382 0.000 3.050) 4.554 6.789 ( -3.591 0.000 -5.109) 6.245 6.789 ( -3.591 0.000 5.109) 6.245 7.170 ( -1.702 0.000 -2.306) 2.866 7.170 ( -1.702 0.000 2.306) 2.866 7.311 ( -4.225 0.000 -3.954) 5.786 7.311 ( -4.225 0.000 3.954) 5.786 7.492 ( 5.578 0.000 -4.394) 7.101 7.492 ( 5.578 0.000 4.394) 7.101 7.655 ( 13.689 0.000 -6.010) 14.950 7.655 ( 13.689 0.000 6.010) 14.950 7.788 ( -5.489 0.000 -0.290) 5.497 7.788 ( -5.489 0.000 0.290) 5.497 8.209 ( -12.706 0.000 -5.138) 13.706 8.209 ( -12.706 0.000 5.138) 13.706 8.395 ( 7.053 0.000 -1.171) 7.150 8.395 ( 7.053 0.000 1.171) 7.150 8.646 ( -1.662 0.000 -1.556) 2.277 8.646 ( -1.662 0.000 1.556) 2.277 9.073 ( -0.006 0.000 -4.965) 4.965 9.073 ( -0.006 0.000 4.965) 4.965 9.212 ( -2.670 0.000 -10.846) 11.170 9.212 ( -2.670 0.000 10.846) 11.170 9.819 ( 4.625 0.000 -2.675) 5.343 9.819 ( 4.625 0.000 2.675) 5.343 9.957 ( -1.953 0.000 -2.792) 3.407 9.957 ( -1.953 0.000 2.792) 3.407 10.030 ( 6.714 0.000 -0.783) 6.760 10.030 ( 6.714 0.000 0.783) 6.760 10.372 ( -9.142 0.000 -5.263) 10.548 10.372 ( -9.142 0.000 5.263) 10.548 10.787 ( 6.012 0.000 -14.506) 15.703 10.787 ( 6.012 0.000 14.506) 15.703 10.956 ( -2.557 0.000 -18.813) 18.986 10.956 ( -2.557 0.000 18.813) 18.986 12.225 ( 1.923 0.000 -3.576) 4.060 12.225 ( 1.923 0.000 3.576) 4.060 12.405 ( -0.320 0.000 -6.111) 6.120 12.405 ( -0.320 0.000 6.111) 6.120 12.535 ( -1.422 0.000 -1.580) 2.125 12.535 ( -1.422 0.000 1.580) 2.125 12.710 ( -2.510 0.000 -3.372) 4.204 12.710 ( -2.510 0.000 3.372) 4.204 13.762 ( 7.400 0.000 -10.348) 12.722 13.762 ( 7.400 0.000 10.348) 12.722 14.077 ( -7.287 0.000 -8.785) 11.414 14.077 ( -7.287 0.000 8.785) 11.414 14.601 ( 3.259 0.000 -1.061) 3.428 14.601 ( 3.259 0.000 1.061) 3.428 14.700 ( -1.518 0.000 -3.400) 3.723 14.700 ( -1.518 0.000 3.400) 3.723 16.128 ( 7.406 0.000 -3.923) 8.381 16.128 ( 7.406 0.000 3.923) 8.381 16.522 ( -11.214 0.000 -7.721) 13.615 16.522 ( -11.214 0.000 7.721) 13.615 17.681 ( 9.533 0.000 -1.646) 9.674 17.681 ( 9.533 0.000 1.646) 9.674 17.978 ( -4.760 0.000 -0.146) 4.763 17.978 ( -4.760 0.000 0.146) 4.763 19.752 ( 7.721 0.000 -13.598) 15.637 19.752 ( 7.721 0.000 13.598) 15.637 20.212 ( -14.399 0.000 -2.090) 14.550 20.212 ( -14.399 0.000 2.090) 14.550 21.583 ( 14.839 0.000 -5.941) 15.984 21.583 ( 14.839 0.000 5.941) 15.984 22.072 ( -8.634 0.000 -18.421) 20.344 22.072 ( -8.634 0.000 18.421) 20.344 23.879 ( 6.333 0.000 -12.634) 14.132 23.879 ( 6.333 0.000 12.634) 14.132 24.240 ( -10.987 0.000 -12.766) 16.843 24.240 ( -10.987 0.000 12.766) 16.843 25.162 ( 8.681 0.000 -11.684) 14.556 25.162 ( 8.681 0.000 11.684) 14.556 25.427 ( -4.355 0.000 -11.942) 12.711 25.427 ( -4.355 0.000 11.942) 12.711 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -1.640 0.000 -10.485) 10.612 2.807 ( 1.640 0.000 -10.485) 10.612 2.807 ( -1.640 0.000 10.485) 10.612 2.807 ( 1.640 0.000 10.485) 10.612 3.040 ( -2.049 0.000 -1.738) 2.687 3.040 ( 2.049 0.000 -1.738) 2.687 3.040 ( -2.049 0.000 1.738) 2.687 3.040 ( 2.049 0.000 1.738) 2.687 3.453 ( -4.792 0.000 -1.184) 4.936 3.453 ( -4.792 0.000 1.184) 4.936 3.453 ( 4.792 0.000 -1.184) 4.936 3.453 ( 4.792 0.000 1.184) 4.936 3.903 ( -11.695 0.000 -0.507) 11.706 3.903 ( -11.695 0.000 0.507) 11.706 3.903 ( 11.695 0.000 -0.507) 11.706 3.903 ( 11.695 0.000 0.507) 11.706 4.706 ( -16.623 0.000 -8.281) 18.572 4.706 ( 16.623 0.000 -8.281) 18.572 4.706 ( -16.623 0.000 8.281) 18.572 4.706 ( 16.623 0.000 8.281) 18.572 5.657 ( -8.521 0.000 -2.918) 9.007 5.657 ( 8.521 0.000 -2.918) 9.007 5.657 ( -8.521 0.000 2.918) 9.007 5.657 ( 8.521 0.000 2.918) 9.007 5.865 ( -0.923 0.000 -5.983) 6.054 5.865 ( 0.923 0.000 -5.983) 6.054 5.865 ( -0.923 0.000 5.983) 6.054 5.865 ( 0.923 0.000 5.983) 6.054 6.331 ( -5.916 0.000 -3.566) 6.908 6.331 ( 5.916 0.000 -3.566) 6.908 6.331 ( -5.916 0.000 3.566) 6.908 6.331 ( 5.916 0.000 3.566) 6.908 6.687 ( -6.587 0.000 -0.062) 6.587 6.687 ( -6.587 0.000 0.062) 6.587 6.687 ( 6.587 0.000 -0.062) 6.587 6.687 ( 6.587 0.000 0.062) 6.587 7.219 ( -5.407 0.000 -4.253) 6.880 7.219 ( 5.407 0.000 -4.253) 6.880 7.219 ( -5.407 0.000 4.253) 6.880 7.219 ( 5.407 0.000 4.253) 6.880 7.623 ( -8.672 0.000 -2.874) 9.135 7.623 ( -8.672 0.000 2.874) 9.135 7.623 ( 8.672 0.000 -2.874) 9.135 7.623 ( 8.672 0.000 2.874) 9.135 7.951 ( -15.725 0.000 -6.515) 17.021 7.951 ( 15.725 0.000 -6.515) 17.021 7.951 ( -15.725 0.000 6.515) 17.021 7.951 ( 15.725 0.000 6.515) 17.021 8.543 ( -8.604 0.000 -0.553) 8.622 8.543 ( -8.604 0.000 0.553) 8.622 8.543 ( 8.604 0.000 -0.553) 8.622 8.543 ( 8.604 0.000 0.553) 8.622 9.133 ( -5.350 0.000 -6.794) 8.648 9.133 ( 5.350 0.000 -6.794) 8.648 9.133 ( -5.350 0.000 6.794) 8.648 9.133 ( 5.350 0.000 6.794) 8.648 9.900 ( -4.167 0.000 -0.716) 4.228 9.900 ( -4.167 0.000 0.716) 4.228 9.900 ( 4.167 0.000 -0.716) 4.228 9.900 ( 4.167 0.000 0.716) 4.228 10.192 ( -10.615 0.000 -2.261) 10.853 10.192 ( -10.615 0.000 2.261) 10.853 10.192 ( 10.615 0.000 -2.261) 10.853 10.192 ( 10.615 0.000 2.261) 10.853 10.888 ( -5.045 0.000 -16.828) 17.568 10.888 ( 5.045 0.000 -16.828) 17.568 10.888 ( -5.045 0.000 16.828) 17.568 10.888 ( 5.045 0.000 16.828) 17.568 12.304 ( -6.789 0.000 -2.092) 7.104 12.304 ( -6.789 0.000 2.092) 7.104 12.304 ( 6.789 0.000 -2.092) 7.104 12.304 ( 6.789 0.000 2.092) 7.104 12.621 ( -6.864 0.000 -5.364) 8.712 12.621 ( 6.864 0.000 -5.364) 8.712 12.621 ( -6.864 0.000 5.364) 8.712 12.621 ( 6.864 0.000 5.364) 8.712 13.920 ( -9.764 0.000 -9.958) 13.946 13.920 ( 9.764 0.000 -9.958) 13.946 13.920 ( -9.764 0.000 9.958) 13.946 13.920 ( 9.764 0.000 9.958) 13.946 14.659 ( -3.031 0.000 -2.070) 3.670 14.659 ( 3.031 0.000 -2.070) 3.670 14.659 ( -3.031 0.000 2.070) 3.670 14.659 ( 3.031 0.000 2.070) 3.670 16.305 ( -12.167 0.000 -5.199) 13.231 16.305 ( 12.167 0.000 -5.199) 13.231 16.305 ( -12.167 0.000 5.199) 13.231 16.305 ( 12.167 0.000 5.199) 13.231 17.855 ( -9.099 0.000 -1.469) 9.217 17.855 ( -9.099 0.000 1.469) 9.217 17.855 ( 9.099 0.000 -1.469) 9.217 17.855 ( 9.099 0.000 1.469) 9.217 19.947 ( -14.100 0.000 -7.251) 15.855 19.947 ( 14.100 0.000 -7.251) 15.855 19.947 ( -14.100 0.000 7.251) 15.855 19.947 ( 14.100 0.000 7.251) 15.855 21.859 ( -15.009 0.000 -13.571) 20.235 21.859 ( 15.009 0.000 -13.571) 20.235 21.859 ( -15.009 0.000 13.571) 20.235 21.859 ( 15.009 0.000 13.571) 20.235 24.036 ( -11.069 0.000 -12.470) 16.674 24.036 ( 11.069 0.000 -12.470) 16.674 24.036 ( -11.069 0.000 12.470) 16.674 24.036 ( 11.069 0.000 12.470) 16.674 25.316 ( -8.055 0.000 -11.987) 14.442 25.316 ( 8.055 0.000 -11.987) 14.442 25.316 ( -8.055 0.000 11.987) 14.442 25.316 ( 8.055 0.000 11.987) 14.442 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 5.405 -13.009) 14.087 2.846 ( 0.000 5.405 13.009) 14.087 2.904 ( 0.000 6.106 -4.209) 7.417 2.904 ( 0.000 6.106 4.209) 7.417 3.043 ( 0.000 5.605 -13.514) 14.630 3.043 ( 0.000 5.605 13.514) 14.630 3.110 ( 0.000 5.804 -4.652) 7.438 3.110 ( 0.000 5.804 4.652) 7.438 3.481 ( 0.000 1.259 -6.457) 6.578 3.481 ( 0.000 1.259 6.457) 6.578 3.607 ( 0.000 1.021 -9.952) 10.004 3.607 ( 0.000 1.021 9.952) 10.004 3.755 ( 0.000 3.875 -9.870) 10.603 3.755 ( 0.000 3.875 9.870) 10.603 4.151 ( 0.000 -1.296 -11.695) 11.767 4.151 ( 0.000 -1.296 11.695) 11.767 4.253 ( 0.000 2.524 -5.414) 5.973 4.253 ( 0.000 2.524 5.414) 5.973 5.076 ( 0.000 -2.899 -7.908) 8.422 5.076 ( 0.000 -2.899 7.908) 8.422 5.337 ( 0.000 -4.550 -7.282) 8.587 5.337 ( 0.000 -4.550 7.282) 8.587 5.758 ( 0.000 -4.231 -10.938) 11.728 5.758 ( 0.000 -4.231 10.938) 11.728 5.946 ( 0.000 3.104 -6.508) 7.210 5.946 ( 0.000 3.104 6.508) 7.210 5.962 ( 0.000 2.111 -4.664) 5.120 5.962 ( 0.000 2.111 4.664) 5.120 6.199 ( 0.000 2.813 -5.155) 5.873 6.199 ( 0.000 2.813 5.155) 5.873 6.397 ( 0.000 -1.231 -7.629) 7.728 6.397 ( 0.000 -1.231 7.629) 7.728 6.594 ( 0.000 2.106 -4.196) 4.695 6.594 ( 0.000 2.106 4.196) 4.695 6.817 ( 0.000 1.091 -7.598) 7.676 6.817 ( 0.000 1.091 7.598) 7.676 7.178 ( 0.000 -7.799 -7.391) 10.745 7.178 ( 0.000 -7.799 7.391) 10.745 7.279 ( 0.000 1.972 -6.261) 6.564 7.279 ( 0.000 1.972 6.261) 6.564 7.497 ( 0.000 1.787 -7.446) 7.658 7.497 ( 0.000 1.787 7.446) 7.658 7.605 ( 0.000 8.125 -13.475) 15.735 7.605 ( 0.000 8.125 13.475) 15.735 7.834 ( 0.000 -0.253 -3.921) 3.930 7.834 ( 0.000 -0.253 3.921) 3.930 8.341 ( 0.000 1.819 -4.024) 4.416 8.341 ( 0.000 1.819 4.024) 4.416 8.365 ( 0.000 1.841 -1.486) 2.366 8.365 ( 0.000 1.841 1.486) 2.366 8.622 ( 0.000 -0.926 -5.015) 5.100 8.622 ( 0.000 -0.926 5.015) 5.100 9.119 ( 0.000 1.749 -2.061) 2.703 9.119 ( 0.000 1.749 2.061) 2.703 9.237 ( 0.000 1.820 -12.935) 13.063 9.237 ( 0.000 1.820 12.935) 13.063 9.830 ( 0.000 5.491 -4.456) 7.071 9.830 ( 0.000 5.491 4.456) 7.071 9.939 ( 0.000 -1.018 -5.512) 5.605 9.939 ( 0.000 -1.018 5.512) 5.605 10.001 ( 0.000 1.086 -5.569) 5.674 10.001 ( 0.000 1.086 5.569) 5.674 10.480 ( 0.000 0.541 -5.665) 5.691 10.480 ( 0.000 0.541 5.665) 5.691 10.753 ( 0.000 3.538 -11.730) 12.252 10.753 ( 0.000 3.538 11.730) 12.252 10.978 ( 0.000 0.016 -16.342) 16.342 10.978 ( 0.000 0.016 16.342) 16.342 12.254 ( 0.000 3.365 -5.649) 6.575 12.254 ( 0.000 3.365 5.649) 6.575 12.384 ( 0.000 1.935 -7.259) 7.512 12.384 ( 0.000 1.935 7.259) 7.512 12.592 ( 0.000 -0.896 -2.235) 2.408 12.592 ( 0.000 -0.896 2.235) 2.408 12.726 ( 0.000 0.996 -2.205) 2.420 12.726 ( 0.000 0.996 2.205) 2.420 13.705 ( 0.000 1.198 -8.834) 8.915 13.705 ( 0.000 1.198 8.834) 8.915 14.116 ( 0.000 -2.877 -6.722) 7.312 14.116 ( 0.000 -2.877 6.722) 7.312 14.447 ( 0.000 -10.675 -1.070) 10.728 14.447 ( 0.000 -10.675 1.070) 10.728 14.660 ( 0.000 -6.530 -5.608) 8.608 14.660 ( 0.000 -6.530 5.608) 8.608 16.089 ( 0.000 3.022 -3.900) 4.934 16.089 ( 0.000 3.022 3.900) 4.934 16.702 ( 0.000 6.418 -9.699) 11.631 16.702 ( 0.000 6.418 9.699) 11.631 17.488 ( 0.000 -9.102 -3.964) 9.927 17.488 ( 0.000 -9.102 3.964) 9.927 17.978 ( 0.000 -4.198 -5.431) 6.864 17.978 ( 0.000 -4.198 5.431) 6.864 19.788 ( 0.000 9.919 -14.101) 17.240 19.788 ( 0.000 9.919 14.101) 17.240 20.392 ( 0.000 2.923 -10.097) 10.511 20.392 ( 0.000 2.923 10.097) 10.511 21.416 ( 0.000 -1.163 -1.305) 1.748 21.416 ( 0.000 -1.163 1.305) 1.748 22.063 ( 0.000 -8.403 -19.775) 21.486 22.063 ( 0.000 -8.403 19.775) 21.486 23.823 ( 0.000 -0.022 -9.322) 9.322 23.823 ( 0.000 -0.022 9.322) 9.322 24.294 ( 0.000 -5.965 -10.821) 12.356 24.294 ( 0.000 -5.965 10.821) 12.356 25.096 ( 0.000 2.571 -9.836) 10.167 25.096 ( 0.000 2.571 9.836) 10.167 25.451 ( 0.000 -1.526 -10.628) 10.737 25.451 ( 0.000 -1.526 10.628) 10.737 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -0.139 4.922 -11.216) 12.250 2.839 ( -0.139 4.922 11.216) 12.250 2.892 ( -1.768 5.722 -4.631) 7.571 2.892 ( -1.768 5.722 4.631) 7.571 3.062 ( 2.502 5.729 -2.292) 6.658 3.062 ( 2.502 5.729 2.292) 6.658 3.126 ( 0.856 6.935 -6.387) 9.467 3.126 ( 0.856 6.935 6.387) 9.467 3.456 ( -1.445 2.543 -4.475) 5.346 3.456 ( -1.445 2.543 4.475) 5.346 3.576 ( -7.139 -0.577 -6.750) 9.842 3.576 ( -7.139 -0.577 6.750) 9.842 3.756 ( 6.733 4.226 -8.933) 11.958 3.756 ( 6.733 4.226 8.933) 11.958 4.111 ( -7.669 2.406 -4.102) 9.024 4.111 ( -7.669 2.406 4.102) 9.024 4.388 ( 14.799 -2.129 -8.271) 17.086 4.388 ( 14.799 -2.129 8.271) 17.086 4.930 ( -12.985 -3.819 -8.089) 15.768 4.930 ( -12.985 -3.819 8.089) 15.768 5.461 ( 10.236 -3.413 -7.047) 12.887 5.461 ( 10.236 -3.413 7.047) 12.887 5.732 ( -3.283 -3.872 -9.430) 10.710 5.732 ( -3.283 -3.872 9.430) 10.710 5.904 ( -2.161 1.974 -6.357) 6.998 5.904 ( -2.161 1.974 6.357) 6.998 5.949 ( -2.741 4.416 -4.224) 6.697 5.949 ( -2.741 4.416 4.224) 6.697 6.240 ( 4.368 0.896 -4.584) 6.395 6.240 ( 4.368 0.896 4.584) 6.395 6.393 ( -1.840 -1.190 -6.064) 6.448 6.393 ( -1.840 -1.190 6.064) 6.448 6.609 ( 3.308 2.195 -4.525) 6.020 6.609 ( 3.308 2.195 4.525) 6.020 6.806 ( -2.936 1.769 -5.383) 6.382 6.806 ( -2.936 1.769 5.383) 6.382 7.167 ( 0.324 -0.961 -3.461) 3.607 7.167 ( 0.324 -0.961 3.461) 3.607 7.266 ( -2.273 -1.963 -4.978) 5.814 7.266 ( -2.273 -1.963 4.978) 5.814 7.489 ( 3.207 0.868 -4.989) 5.994 7.489 ( 3.207 0.868 4.989) 5.994 7.720 ( 3.095 0.805 -6.643) 7.373 7.720 ( 3.095 0.805 6.643) 7.373 7.804 ( 2.562 4.898 -7.593) 9.392 7.804 ( 2.562 4.898 7.593) 9.392 8.222 ( -11.767 1.026 -6.848) 13.653 8.222 ( -11.767 1.026 6.848) 13.653 8.414 ( 6.439 2.305 -2.358) 7.234 8.414 ( 6.439 2.305 2.358) 7.234 8.650 ( -0.954 0.334 -2.170) 2.394 8.650 ( -0.954 0.334 2.170) 2.394 9.079 ( -0.366 0.732 -4.530) 4.604 9.079 ( -0.366 0.732 4.530) 4.604 9.234 ( -2.622 2.416 -8.485) 9.204 9.234 ( -2.622 2.416 8.485) 9.204 9.844 ( 2.501 2.021 -3.049) 4.432 9.844 ( 2.501 2.021 3.049) 4.432 9.964 ( -1.787 0.831 -4.895) 5.277 9.964 ( -1.787 0.831 4.895) 5.277 10.047 ( 8.112 2.052 -3.545) 9.088 10.047 ( 8.112 2.052 3.545) 9.088 10.391 ( -8.482 1.577 -2.662) 9.029 10.391 ( -8.482 1.577 2.662) 9.029 10.815 ( 5.372 2.569 -11.224) 12.706 10.815 ( 5.372 2.569 11.224) 12.706 10.961 ( -2.012 0.489 -15.327) 15.467 10.961 ( -2.012 0.489 15.327) 15.467 12.251 ( 1.160 2.477 -4.408) 5.188 12.251 ( 1.160 2.477 4.408) 5.188 12.415 ( -1.416 1.071 -5.053) 5.356 12.415 ( -1.416 1.071 5.053) 5.356 12.548 ( 0.424 1.202 -1.690) 2.117 12.548 ( 0.424 1.202 1.690) 2.117 12.720 ( -2.221 1.042 -1.960) 3.140 12.720 ( -2.221 1.042 1.960) 3.140 13.762 ( 6.178 -0.028 -8.982) 10.902 13.762 ( 6.178 -0.028 8.982) 10.902 14.044 ( -7.154 -3.146 -7.475) 10.814 14.044 ( -7.154 -3.146 7.475) 10.814 14.496 ( 4.590 -9.465 -1.211) 10.588 14.496 ( 4.590 -9.465 1.211) 10.588 14.639 ( -2.404 -6.926 -4.884) 8.809 14.639 ( -2.404 -6.926 4.884) 8.809 16.159 ( 7.739 3.208 -3.770) 9.187 16.159 ( 7.739 3.208 3.770) 9.187 16.575 ( -12.220 5.012 -7.410) 15.144 16.575 ( -12.220 5.012 7.410) 15.144 17.603 ( 10.785 -7.492 -5.300) 14.161 17.603 ( 10.785 -7.492 5.300) 14.161 17.932 ( -5.291 -4.608 -5.593) 8.972 17.932 ( -5.291 -4.608 5.593) 8.972 19.848 ( 6.840 9.197 -12.070) 16.646 19.848 ( 6.840 9.197 12.070) 16.646 20.258 ( -12.868 4.505 -4.038) 14.219 20.258 ( -12.868 4.505 4.038) 14.219 21.554 ( 13.343 -2.763 -5.695) 14.769 21.554 ( 13.343 -2.763 5.695) 14.769 21.994 ( -7.734 -7.605 -18.185) 21.174 21.994 ( -7.734 -7.605 18.185) 21.174 23.874 ( 5.752 -0.541 -9.350) 10.991 23.874 ( 5.752 -0.541 9.350) 10.991 24.197 ( -9.515 -4.328 -10.233) 14.628 24.197 ( -9.515 -4.328 10.233) 14.628 25.174 ( 7.507 1.214 -10.229) 12.746 25.174 ( 7.507 1.214 10.229) 12.746 25.414 ( -4.077 -1.279 -10.654) 11.479 25.414 ( -4.077 -1.279 10.654) 11.479 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -1.783 4.796 -9.839) 11.090 2.855 ( 1.755 4.796 -9.839) 11.085 2.855 ( -1.755 4.796 9.839) 11.085 2.855 ( 1.783 4.796 9.839) 11.090 3.114 ( -1.913 7.225 -3.033) 8.066 3.114 ( 1.197 7.225 -2.992) 7.912 3.114 ( -1.198 7.225 2.992) 7.912 3.114 ( 1.913 7.225 3.033) 8.066 3.467 ( -3.100 1.511 -3.004) 4.574 3.467 ( 1.953 1.511 -2.895) 3.805 3.467 ( -1.953 1.511 2.895) 3.805 3.467 ( 3.100 1.511 3.004) 4.574 3.932 ( -11.350 2.746 -4.205) 12.411 3.932 ( 4.967 2.746 -2.471) 6.190 3.932 ( -4.967 2.746 2.471) 6.190 3.932 ( 11.350 2.746 4.205) 12.411 4.670 ( -15.982 -3.702 -8.524) 18.487 4.670 ( 13.395 -3.702 -8.014) 16.043 4.670 ( -13.395 -3.702 8.014) 16.043 4.670 ( 15.982 -3.702 8.524) 18.487 5.631 ( -8.207 -3.121 -7.406) 11.487 5.631 ( 8.060 -3.121 -7.388) 11.371 5.631 ( -8.060 -3.121 7.388) 11.371 5.631 ( 8.207 -3.121 7.406) 11.487 5.900 ( -1.552 3.245 -7.953) 8.729 5.900 ( 1.481 3.245 -7.952) 8.715 5.900 ( -1.481 3.245 7.952) 8.715 5.900 ( 1.552 3.245 7.953) 8.729 6.327 ( -4.700 -0.634 -3.996) 6.202 6.327 ( 3.722 -0.634 -3.880) 5.414 6.327 ( -3.722 -0.634 3.880) 5.414 6.327 ( 4.700 -0.634 3.996) 6.202 6.709 ( -5.891 2.731 -3.870) 7.559 6.709 ( 0.867 2.731 -3.347) 4.406 6.709 ( -0.867 2.731 3.347) 4.406 6.709 ( 5.891 2.731 3.870) 7.559 7.207 ( -3.310 -0.545 -4.066) 5.271 7.207 ( 2.714 -0.545 -4.017) 4.878 7.207 ( -2.714 -0.545 4.017) 4.878 7.207 ( 3.310 -0.545 4.066) 5.271 7.610 ( -8.464 -1.020 -4.280) 9.539 7.610 ( 2.935 -1.020 -3.364) 4.579 7.610 ( -2.935 -1.020 3.364) 4.579 7.610 ( 8.464 -1.020 4.280) 9.539 7.997 ( -13.220 3.817 -9.289) 16.602 7.997 ( 13.116 3.817 -9.273) 16.510 7.997 ( -13.116 3.817 9.273) 16.510 7.997 ( 13.220 3.817 9.289) 16.602 8.553 ( -8.051 1.217 -1.113) 8.219 8.553 ( -7.405 1.217 0.359) 7.513 8.553 ( 7.405 1.217 -0.359) 7.513 8.553 ( 8.051 1.217 1.113) 8.219 9.146 ( -5.726 1.403 -6.096) 8.480 9.146 ( 4.618 1.403 -5.990) 7.692 9.146 ( -4.618 1.403 5.990) 7.692 9.146 ( 5.726 1.403 6.096) 8.480 9.907 ( -3.946 0.819 -3.551) 5.372 9.907 ( 3.770 0.819 -3.530) 5.229 9.907 ( -3.770 0.819 3.530) 5.229 9.907 ( 3.946 0.819 3.551) 5.372 10.220 ( -10.305 2.575 -2.749) 10.971 10.220 ( -6.622 2.575 0.793) 7.149 10.220 ( 6.622 2.575 -0.793) 7.149 10.220 ( 10.305 2.575 2.749) 10.971 10.905 ( -3.909 1.469 -15.097) 15.664 10.905 ( 3.686 1.469 -15.091) 15.604 10.905 ( -3.686 1.469 15.091) 15.604 10.905 ( 3.909 1.469 15.097) 15.664 12.317 ( -3.380 1.262 -5.792) 6.824 12.317 ( -0.216 1.262 -5.682) 5.824 12.317 ( 0.216 1.262 5.682) 5.824 12.317 ( 3.380 1.262 5.792) 6.824 12.638 ( -5.395 1.807 -4.482) 7.243 12.638 ( 1.810 1.807 -4.150) 4.874 12.638 ( -1.810 1.807 4.150) 4.874 12.638 ( 5.395 1.807 4.482) 7.243 13.899 ( -7.680 -2.132 -10.519) 13.198 13.899 ( 5.905 -2.132 -10.391) 12.140 13.899 ( -5.905 -2.132 10.391) 12.140 13.899 ( 7.680 -2.132 10.519) 13.198 14.578 ( -4.190 -7.965 -3.303) 9.586 14.578 ( 3.515 -7.965 -3.214) 9.280 14.578 ( -3.515 -7.965 3.214) 9.280 14.578 ( 4.190 -7.965 3.303) 9.586 16.344 ( -12.616 3.775 -4.827) 14.025 16.344 ( 3.759 3.775 -2.680) 5.963 16.344 ( -3.759 3.775 2.680) 5.963 16.344 ( 12.616 3.775 4.827) 14.025 17.796 ( -9.370 -5.724 -6.844) 12.939 17.796 ( 5.955 -5.724 -6.405) 10.453 17.796 ( -5.955 -5.724 6.405) 10.453 17.796 ( 9.370 -5.724 6.844) 12.939 20.022 ( -12.171 7.174 -6.531) 15.565 20.022 ( 7.232 7.174 -5.658) 11.652 20.022 ( -7.232 7.174 5.658) 11.652 20.022 ( 12.171 7.174 6.531) 15.565 21.803 ( -13.476 -5.479 -13.428) 19.797 21.803 ( 13.333 -5.479 -13.412) 19.690 21.803 ( -13.333 -5.479 13.413) 19.690 21.803 ( 13.476 -5.479 13.428) 19.797 24.016 ( -9.798 -2.031 -9.847) 14.039 24.016 ( 9.290 -2.031 -9.793) 13.650 24.016 ( -9.290 -2.031 9.793) 13.650 24.016 ( 9.798 -2.031 9.847) 14.039 25.312 ( -7.329 -0.431 -10.682) 12.962 25.312 ( 7.271 -0.431 -10.678) 12.925 25.312 ( -7.271 -0.431 10.678) 12.925 25.312 ( 7.329 -0.431 10.682) 12.962 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 0.000 8.616 -11.421) 14.307 2.986 ( 0.000 8.616 11.421) 14.307 3.064 ( 0.000 9.698 -8.069) 12.616 3.064 ( 0.000 9.698 8.069) 12.616 3.204 ( 0.000 10.815 -13.566) 17.349 3.204 ( 0.000 10.815 13.566) 17.349 3.266 ( 0.000 10.056 -7.786) 12.718 3.266 ( 0.000 10.056 7.786) 12.718 3.517 ( 0.000 2.428 -10.604) 10.879 3.517 ( 0.000 2.428 10.604) 10.879 3.621 ( 0.000 0.608 -10.007) 10.025 3.621 ( 0.000 0.608 10.007) 10.025 3.838 ( 0.000 3.472 -13.057) 13.510 3.838 ( 0.000 3.472 13.057) 13.510 4.095 ( 0.000 -4.750 -13.475) 14.288 4.095 ( 0.000 -4.751 13.475) 14.288 4.335 ( 0.000 6.037 -9.157) 10.968 4.335 ( 0.000 6.037 9.157) 10.968 4.989 ( 0.000 -5.802 -5.477) 7.979 4.989 ( 0.000 -5.802 5.477) 7.979 5.196 ( 0.000 -10.365 -11.691) 15.624 5.196 ( 0.000 -10.365 11.691) 15.624 5.610 ( 0.000 -11.085 -18.506) 21.572 5.610 ( 0.000 -11.085 18.506) 21.572 5.978 ( 0.000 0.209 -8.490) 8.493 5.978 ( 0.000 0.209 8.490) 8.493 6.013 ( 0.000 3.137 -7.164) 7.821 6.013 ( 0.000 3.137 7.164) 7.821 6.264 ( 0.000 2.821 -1.976) 3.444 6.264 ( 0.000 2.821 1.976) 3.444 6.429 ( 0.000 3.970 -9.013) 9.849 6.429 ( 0.000 3.970 9.013) 9.849 6.657 ( 0.000 4.740 -5.162) 7.008 6.657 ( 0.000 4.740 5.162) 7.008 6.851 ( 0.000 2.540 -9.165) 9.511 6.851 ( 0.000 2.540 9.165) 9.511 7.103 ( 0.000 0.823 -7.185) 7.232 7.103 ( 0.000 0.823 7.185) 7.232 7.304 ( 0.000 1.019 -9.631) 9.684 7.304 ( 0.000 1.019 9.631) 9.684 7.562 ( 0.000 4.053 -7.516) 8.539 7.562 ( 0.000 4.053 7.516) 8.539 7.657 ( 0.000 -1.387 -12.266) 12.344 7.657 ( 0.000 -1.387 12.266) 12.344 7.912 ( 0.000 7.181 -11.722) 13.747 7.912 ( 0.000 7.181 11.722) 13.747 8.336 ( 0.000 -0.918 -8.294) 8.345 8.336 ( 0.000 -0.918 8.294) 8.345 8.470 ( 0.000 6.885 -7.033) 9.842 8.470 ( 0.000 6.885 7.033) 9.842 8.588 ( 0.000 -2.499 -9.646) 9.965 8.588 ( 0.000 -2.499 9.646) 9.965 9.171 ( 0.000 3.752 -5.280) 6.477 9.171 ( 0.000 3.752 5.280) 6.477 9.304 ( 0.000 5.057 -7.660) 9.179 9.304 ( 0.000 5.057 7.660) 9.179 9.930 ( 0.000 0.287 -9.333) 9.338 9.930 ( 0.000 0.287 9.333) 9.338 9.942 ( 0.000 4.848 -6.695) 8.266 9.942 ( 0.000 4.848 6.695) 8.266 10.044 ( 0.000 3.847 -5.363) 6.600 10.044 ( 0.000 3.847 5.363) 6.600 10.469 ( 0.000 -1.963 -6.363) 6.659 10.469 ( 0.000 -1.963 6.363) 6.659 10.840 ( 0.000 4.942 -8.879) 10.161 10.840 ( 0.000 4.942 8.879) 10.161 10.977 ( 0.000 -0.200 -10.309) 10.311 10.977 ( 0.000 -0.200 10.309) 10.311 12.330 ( 0.000 3.997 -8.060) 8.997 12.330 ( 0.000 3.997 8.060) 8.997 12.445 ( 0.000 4.433 -5.926) 7.401 12.445 ( 0.000 4.433 5.926) 7.401 12.571 ( 0.000 -1.016 -4.663) 4.773 12.571 ( 0.000 -1.016 4.663) 4.773 12.745 ( 0.000 0.547 -6.579) 6.601 12.745 ( 0.000 0.547 6.579) 6.601 13.727 ( 0.000 0.709 -4.903) 4.954 13.727 ( 0.000 0.709 4.903) 4.954 14.055 ( 0.000 -2.918 -1.797) 3.427 14.055 ( 0.000 -2.918 1.797) 3.427 14.210 ( 0.000 -12.717 -3.625) 13.223 14.210 ( 0.000 -12.717 3.625) 13.223 14.456 ( 0.000 -13.805 -6.940) 15.451 14.456 ( 0.000 -13.805 6.940) 15.451 16.181 ( 0.000 6.356 -2.782) 6.939 16.181 ( 0.000 6.356 2.782) 6.939 16.863 ( 0.000 9.834 -9.552) 13.709 16.863 ( 0.000 9.834 9.552) 13.709 17.263 ( 0.000 -13.342 -6.590) 14.881 17.263 ( 0.000 -13.342 6.590) 14.881 17.863 ( 0.000 -7.548 -9.035) 11.773 17.863 ( 0.000 -7.548 9.035) 11.773 20.024 ( 0.000 13.486 -9.752) 16.643 20.024 ( 0.000 13.486 9.752) 16.643 20.466 ( 0.000 4.412 -13.049) 13.775 20.466 ( 0.000 4.412 13.049) 13.775 21.390 ( 0.000 -1.359 -2.771) 3.086 21.390 ( 0.000 -1.359 2.771) 3.086 21.852 ( 0.000 -12.552 -19.839) 23.476 21.852 ( 0.000 -12.552 19.839) 23.476 23.820 ( 0.000 -0.314 -2.621) 2.640 23.820 ( 0.000 -0.314 2.621) 2.640 24.144 ( 0.000 -8.860 -6.446) 10.957 24.144 ( 0.000 -8.860 6.446) 10.957 25.156 ( 0.000 3.275 -6.806) 7.553 25.156 ( 0.000 3.275 6.806) 7.553 25.409 ( 0.000 -2.635 -8.178) 8.592 25.409 ( 0.000 -2.635 8.178) 8.592 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -0.604 8.409 -10.925) 13.800 2.971 ( -0.604 8.409 10.925) 13.800 3.045 ( -3.290 9.746 -5.713) 11.766 3.045 ( -3.290 9.746 5.713) 11.767 3.203 ( 3.241 8.129 -5.314) 10.238 3.203 ( 3.241 8.129 5.314) 10.238 3.316 ( 1.999 12.198 -10.134) 15.984 3.316 ( 1.999 12.198 10.134) 15.984 3.514 ( -0.493 2.981 -3.145) 4.361 3.514 ( -0.493 2.981 3.144) 4.361 3.580 ( -4.501 1.520 -6.747) 8.252 3.580 ( -4.501 1.520 6.747) 8.252 3.842 ( 4.691 3.847 -10.950) 12.518 3.842 ( 4.691 3.847 10.950) 12.518 4.159 ( -2.697 0.988 -3.108) 4.232 4.159 ( -2.697 0.988 3.108) 4.232 4.339 ( 7.238 -1.407 -6.451) 9.797 4.339 ( 7.238 -1.407 6.451) 9.797 4.820 ( -13.720 -7.451 -7.218) 17.200 4.820 ( -13.720 -7.451 7.218) 17.200 5.346 ( 11.153 -8.830 -10.171) 17.488 5.346 ( 11.153 -8.830 10.171) 17.488 5.596 ( -2.052 -10.253 -15.307) 18.537 5.596 ( -2.052 -10.253 15.307) 18.537 5.946 ( -1.029 2.164 -9.426) 9.726 5.946 ( -1.029 2.164 9.426) 9.726 6.029 ( -1.350 3.041 -6.637) 7.424 6.029 ( -1.350 3.041 6.637) 7.424 6.255 ( 0.884 1.367 -2.735) 3.183 6.255 ( 0.884 1.367 2.735) 3.183 6.392 ( -4.035 0.609 -8.123) 9.091 6.392 ( -4.035 0.609 8.123) 9.091 6.700 ( 5.099 7.212 -5.719) 10.522 6.700 ( 5.099 7.212 5.719) 10.522 6.861 ( -0.708 3.832 -4.400) 5.878 6.861 ( -0.708 3.832 4.400) 5.878 7.149 ( 4.509 0.706 -5.503) 7.149 7.149 ( 4.509 0.706 5.503) 7.149 7.276 ( -2.803 2.166 -9.518) 10.156 7.276 ( -2.803 2.166 9.518) 10.156 7.534 ( -0.140 3.402 -8.066) 8.755 7.534 ( -0.140 3.402 8.066) 8.755 7.683 ( -1.134 -2.587 -8.968) 9.402 7.683 ( -1.134 -2.587 8.968) 9.402 7.934 ( 4.200 6.344 -12.471) 14.609 7.934 ( 4.200 6.344 12.471) 14.609 8.230 ( -9.368 -0.461 -9.536) 13.375 8.230 ( -9.368 -0.461 9.536) 13.375 8.491 ( 4.014 5.233 -2.831) 7.178 8.491 ( 4.014 5.233 2.831) 7.178 8.656 ( 1.814 0.277 -3.626) 4.064 8.656 ( 1.814 0.277 3.626) 4.064 9.115 ( -1.148 3.399 -5.299) 6.399 9.115 ( -1.148 3.399 5.299) 6.399 9.303 ( -3.198 4.545 -5.020) 7.489 9.303 ( -3.198 4.545 5.020) 7.489 9.887 ( 0.751 2.665 -5.365) 6.038 9.887 ( 0.751 2.665 5.365) 6.038 9.987 ( -1.354 1.502 -8.982) 9.207 9.987 ( -1.354 1.502 8.982) 9.207 10.113 ( 8.419 4.311 -5.226) 10.806 10.113 ( 8.419 4.311 5.226) 10.806 10.410 ( -6.153 -0.122 -3.862) 7.266 10.410 ( -6.153 -0.122 3.862) 7.266 10.874 ( 3.327 3.283 -6.276) 7.825 10.874 ( 3.327 3.283 6.276) 7.825 10.970 ( -1.051 0.238 -8.467) 8.535 10.970 ( -1.051 0.238 8.467) 8.535 12.309 ( -0.305 3.256 -6.044) 6.872 12.309 ( -0.305 3.256 6.044) 6.872 12.443 ( -4.290 1.664 -4.689) 6.570 12.443 ( -4.290 1.664 4.689) 6.570 12.582 ( 4.717 2.518 -3.823) 6.573 12.582 ( 4.717 2.518 3.823) 6.573 12.746 ( -1.098 1.317 -4.340) 4.666 12.746 ( -1.098 1.317 4.340) 4.666 13.757 ( 3.395 -0.695 -4.767) 5.894 13.757 ( 3.395 -0.695 4.767) 5.894 13.967 ( -7.201 -4.489 -3.071) 9.024 13.967 ( -7.201 -4.489 3.071) 9.024 14.286 ( 5.914 -11.108 -3.852) 13.160 14.286 ( 5.914 -11.108 3.852) 13.160 14.438 ( -2.153 -13.103 -6.548) 14.805 14.438 ( -2.153 -13.103 6.548) 14.805 16.250 ( 7.692 6.022 -2.605) 10.111 16.250 ( 7.692 6.022 2.605) 10.111 16.690 ( -14.626 6.087 -6.616) 17.168 16.690 ( -14.626 6.087 6.616) 17.168 17.429 ( 13.695 -9.362 -8.778) 18.768 17.429 ( 13.695 -9.362 8.778) 18.768 17.810 ( -5.986 -7.666 -9.319) 13.470 17.810 ( -5.986 -7.666 9.319) 13.470 20.068 ( 5.003 12.589 -7.838) 15.651 20.068 ( 5.003 12.589 7.838) 15.651 20.370 ( -9.380 6.532 -7.296) 13.561 20.370 ( -9.380 6.532 7.296) 13.561 21.487 ( 9.523 -3.802 -6.003) 11.882 21.487 ( 9.523 -3.802 6.003) 11.882 21.803 ( -5.503 -11.349 -18.261) 22.193 21.803 ( -5.503 -11.349 18.261) 22.193 23.858 ( 4.218 -1.151 -2.946) 5.272 23.858 ( 4.218 -1.151 2.946) 5.272 24.084 ( -6.167 -6.937 -5.571) 10.826 24.084 ( -6.167 -6.937 5.571) 10.826 25.204 ( 4.928 1.786 -7.178) 8.888 25.204 ( 4.928 1.786 7.178) 8.888 25.380 ( -3.231 -2.143 -8.087) 8.969 25.380 ( -3.231 -2.143 8.087) 8.969 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -2.446 8.574 -9.864) 13.296 2.986 ( 2.445 8.574 -9.864) 13.296 2.986 ( -2.445 8.574 9.864) 13.296 2.986 ( 2.446 8.574 9.864) 13.296 3.287 ( -4.802 9.419 -6.839) 12.591 3.287 ( 4.793 9.419 -6.838) 12.587 3.287 ( -4.793 9.418 6.838) 12.587 3.287 ( 4.802 9.418 6.839) 12.591 3.519 ( -1.466 4.139 -7.417) 8.619 3.519 ( 1.352 4.139 -7.415) 8.598 3.519 ( -1.352 4.139 7.415) 8.599 3.519 ( 1.466 4.139 7.417) 8.619 3.999 ( -11.192 3.957 -7.141) 13.853 3.999 ( 10.193 3.957 -6.973) 12.968 3.999 ( -10.193 3.957 6.973) 12.968 3.999 ( 11.192 3.957 7.141) 13.853 4.565 ( -14.356 -7.038 -8.588) 18.149 4.565 ( 9.637 -7.038 -7.821) 14.268 4.565 ( -9.637 -7.038 7.821) 14.268 4.565 ( 14.356 -7.038 8.588) 18.149 5.516 ( -7.425 -9.065 -11.263) 16.253 5.516 ( 7.397 -9.065 -11.261) 16.239 5.516 ( -7.397 -9.065 11.261) 16.239 5.516 ( 7.425 -9.065 11.263) 16.253 5.970 ( -3.562 3.473 -10.081) 11.241 5.970 ( 3.543 3.473 -10.080) 11.235 5.970 ( -3.543 3.473 10.080) 11.235 5.970 ( 3.562 3.473 10.081) 11.241 6.311 ( -4.572 -0.599 -4.327) 6.324 6.311 ( 4.557 -0.599 -4.326) 6.311 6.311 ( -4.557 -0.599 4.326) 6.311 6.311 ( 4.572 -0.599 4.327) 6.324 6.803 ( -4.052 6.710 -5.874) 9.795 6.803 ( 1.811 6.710 -5.748) 9.019 6.803 ( -1.811 6.710 5.748) 9.019 6.803 ( 4.052 6.710 5.874) 9.795 7.221 ( -3.113 2.221 -6.361) 7.422 7.221 ( 2.832 2.221 -6.347) 7.296 7.221 ( -2.832 2.221 6.347) 7.296 7.221 ( 3.113 2.221 6.361) 7.422 7.597 ( -5.890 -0.144 -8.866) 10.645 7.597 ( 5.135 -0.144 -8.814) 10.202 7.597 ( -5.135 -0.144 8.814) 10.202 7.597 ( 5.890 -0.144 8.866) 10.645 8.063 ( -9.145 2.419 -12.140) 15.390 8.063 ( 9.039 2.419 -12.131) 15.320 8.063 ( -9.039 2.419 12.131) 15.320 8.063 ( 9.145 2.419 12.140) 15.390 8.594 ( -6.411 3.006 -1.126) 7.169 8.594 ( -5.480 3.006 0.194) 6.253 8.594 ( 5.480 3.006 -0.194) 6.253 8.594 ( 6.411 3.006 1.126) 7.169 9.191 ( -7.623 3.459 -4.258) 9.392 9.191 ( 5.780 3.459 -3.923) 7.795 9.191 ( -5.780 3.459 3.923) 7.795 9.191 ( 7.623 3.459 4.258) 9.392 9.937 ( -3.606 2.285 -7.076) 8.264 9.937 ( 3.532 2.285 -7.072) 8.228 9.937 ( -3.532 2.285 7.072) 8.228 9.937 ( 3.606 2.285 7.076) 8.264 10.274 ( -8.475 2.417 -4.937) 10.101 10.274 ( 4.105 2.417 -4.273) 6.399 10.274 ( -4.105 2.417 4.273) 6.399 10.274 ( 8.475 2.417 4.937) 10.101 10.934 ( -1.756 1.340 -10.640) 10.867 10.934 ( 1.344 1.340 -10.633) 10.801 10.934 ( -1.344 1.340 10.633) 10.801 10.934 ( 1.756 1.340 10.640) 10.867 12.348 ( -2.284 1.875 -11.755) 12.121 12.348 ( 1.259 1.875 -11.738) 11.954 12.348 ( -1.259 1.875 11.738) 11.954 12.348 ( 2.284 1.875 11.755) 12.121 12.686 ( -3.887 2.904 -4.927) 6.915 12.686 ( 0.977 2.904 -4.765) 5.665 12.686 ( -0.977 2.904 4.765) 5.665 12.686 ( 3.887 2.904 4.927) 6.915 13.844 ( -3.476 -3.323 -10.541) 11.586 13.844 ( 1.387 -3.323 -10.487) 11.088 13.844 ( -1.387 -3.323 10.487) 11.088 13.844 ( 3.476 -3.323 10.541) 11.586 14.379 ( -4.450 -11.715 -5.386) 13.640 14.379 ( 4.450 -11.715 -5.386) 13.640 14.379 ( -4.450 -11.715 5.386) 13.640 14.379 ( 4.450 -11.715 5.386) 13.640 16.437 ( -12.582 5.462 -4.364) 14.394 16.437 ( -3.237 5.462 -1.617) 6.552 16.437 ( 3.237 5.462 1.617) 6.552 16.437 ( 12.582 5.462 4.364) 14.394 17.656 ( -10.232 -8.030 -11.546) 17.392 17.656 ( 7.623 -8.030 -11.319) 15.834 17.656 ( -7.623 -8.030 11.319) 15.834 17.656 ( 10.232 -8.030 11.546) 17.392 20.196 ( -6.548 10.040 -5.780) 13.307 20.196 ( -0.909 10.040 -5.360) 11.418 20.196 ( 0.909 10.040 5.360) 11.418 20.196 ( 6.548 10.040 5.780) 13.307 21.666 ( -9.481 -8.063 -13.954) 18.698 21.666 ( 9.092 -8.063 -13.925) 18.482 21.666 ( -9.092 -8.063 13.925) 18.482 21.666 ( 9.481 -8.063 13.954) 18.698 23.960 ( -6.519 -3.568 -4.728) 8.808 23.960 ( 3.688 -3.568 -4.376) 6.744 23.960 ( -3.688 -3.568 4.376) 6.744 23.960 ( 6.519 -3.568 4.728) 8.808 25.302 ( -5.459 -0.609 -7.816) 9.553 25.302 ( 5.416 -0.609 -7.813) 9.526 25.302 ( -5.416 -0.609 7.813) 9.526 25.302 ( 5.459 -0.609 7.816) 9.553 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.000 9.539 -10.295) 14.035 3.165 ( 0.000 9.539 10.295) 14.035 3.248 ( 0.000 8.621 -11.771) 14.591 3.248 ( 0.000 8.622 11.771) 14.591 3.427 ( 0.000 9.727 -14.043) 17.083 3.427 ( 0.000 9.727 14.043) 17.083 3.486 ( 0.000 11.612 -13.100) 17.506 3.486 ( 0.000 11.612 13.100) 17.506 3.569 ( 0.000 2.915 -15.149) 15.427 3.569 ( 0.000 2.915 15.149) 15.427 3.660 ( 0.000 5.496 -8.075) 9.768 3.660 ( 0.000 5.496 8.075) 9.768 3.862 ( 0.000 -0.962 -15.539) 15.568 3.862 ( 0.000 -0.962 15.539) 15.568 3.981 ( 0.000 -5.929 -13.666) 14.896 3.981 ( 0.000 -5.929 13.666) 14.896 4.445 ( 0.000 2.566 -7.021) 7.475 4.445 ( 0.000 2.566 7.021) 7.475 4.896 ( 0.000 -1.369 -6.838) 6.974 4.896 ( 0.000 -1.369 6.838) 6.974 4.920 ( 0.000 -18.101 -13.485) 22.572 4.920 ( 0.000 -18.101 13.485) 22.572 5.380 ( 0.000 -11.346 -20.641) 23.554 5.380 ( 0.000 -11.346 20.641) 23.554 5.980 ( 0.000 0.629 -9.058) 9.080 5.980 ( 0.000 0.629 9.058) 9.080 6.075 ( 0.000 2.643 -6.586) 7.096 6.075 ( 0.000 2.643 6.586) 7.096 6.280 ( 0.000 -0.616 -4.347) 4.391 6.280 ( 0.000 -0.616 4.347) 4.391 6.470 ( 0.000 -0.985 -8.653) 8.709 6.470 ( 0.000 -0.985 8.653) 8.709 6.781 ( 0.000 7.595 -6.702) 10.130 6.781 ( 0.000 7.595 6.702) 10.130 6.915 ( 0.000 3.596 -10.992) 11.565 6.915 ( 0.000 3.596 10.992) 11.565 7.212 ( 0.000 9.143 -7.065) 11.554 7.212 ( 0.000 9.143 7.065) 11.554 7.338 ( 0.000 2.541 -10.201) 10.513 7.338 ( 0.000 2.541 10.201) 10.513 7.620 ( 0.000 -1.833 -12.700) 12.832 7.620 ( 0.000 -1.833 12.700) 12.832 7.620 ( 0.000 1.583 -6.675) 6.861 7.620 ( 0.000 1.583 6.675) 6.861 8.050 ( 0.000 6.734 -13.111) 14.739 8.050 ( 0.000 6.734 13.111) 14.739 8.312 ( 0.000 -1.613 -9.257) 9.396 8.312 ( 0.000 -1.613 9.257) 9.396 8.536 ( 0.000 -2.478 -12.979) 13.213 8.536 ( 0.000 -2.478 12.979) 13.213 8.573 ( 0.000 2.336 -12.651) 12.865 8.573 ( 0.000 2.336 12.651) 12.865 9.282 ( 0.000 8.069 -8.322) 11.592 9.282 ( 0.000 8.069 8.322) 11.592 9.419 ( 0.000 6.199 -2.965) 6.871 9.419 ( 0.000 6.199 2.965) 6.871 9.951 ( 0.000 1.616 -11.837) 11.946 9.951 ( 0.000 1.616 11.837) 11.946 9.997 ( 0.000 1.197 -11.299) 11.362 9.997 ( 0.000 1.197 11.299) 11.362 10.144 ( 0.000 5.605 -2.271) 6.047 10.144 ( 0.000 5.605 2.271) 6.047 10.407 ( 0.000 -4.129 -9.183) 10.068 10.407 ( 0.000 -4.129 9.183) 10.068 10.923 ( 0.000 3.147 -6.780) 7.475 10.923 ( 0.000 3.147 6.780) 7.475 10.967 ( 0.000 -0.764 -6.710) 6.753 10.967 ( 0.000 -0.764 6.710) 6.753 12.398 ( 0.000 2.954 -13.681) 13.996 12.398 ( 0.000 2.954 13.681) 13.996 12.538 ( 0.000 4.005 -10.207) 10.965 12.538 ( 0.000 4.005 10.207) 10.965 12.576 ( 0.000 2.196 -10.485) 10.712 12.576 ( 0.000 2.196 10.485) 10.712 12.735 ( 0.000 -1.510 -11.905) 12.000 12.735 ( 0.000 -1.510 11.905) 12.000 13.719 ( 0.000 -1.472 -7.131) 7.282 13.719 ( 0.000 -1.472 7.131) 7.282 13.982 ( 0.000 -10.861 -6.027) 12.421 13.982 ( 0.000 -10.861 6.027) 12.421 14.019 ( 0.000 -0.751 -6.595) 6.637 14.019 ( 0.000 -0.751 6.595) 6.637 14.181 ( 0.000 -12.650 -5.852) 13.938 14.181 ( 0.000 -12.650 5.852) 13.938 16.327 ( 0.000 8.694 -1.347) 8.798 16.327 ( 0.000 8.694 1.347) 8.798 16.996 ( 0.000 -13.898 -7.477) 15.782 16.996 ( 0.000 -13.898 7.477) 15.782 17.068 ( 0.000 11.075 -9.661) 14.697 17.068 ( 0.000 11.075 9.661) 14.697 17.695 ( 0.000 -9.648 -10.841) 14.512 17.695 ( 0.000 -9.648 10.841) 14.512 20.277 ( 0.000 12.075 -3.288) 12.514 20.277 ( 0.000 12.075 3.288) 12.514 20.545 ( 0.000 3.255 -14.976) 15.326 20.545 ( 0.000 3.255 14.976) 15.326 21.368 ( 0.000 -0.837 -6.284) 6.339 21.368 ( 0.000 -0.837 6.284) 6.339 21.612 ( 0.000 -11.535 -20.423) 23.455 21.612 ( 0.000 -11.535 20.423) 23.455 23.813 ( 0.000 -0.304 -3.046) 3.061 23.813 ( 0.000 -0.304 3.046) 3.061 23.978 ( 0.000 -7.671 -5.168) 9.250 23.978 ( 0.000 -7.671 5.168) 9.250 25.214 ( 0.000 2.655 -3.634) 4.500 25.214 ( 0.000 2.655 3.634) 4.500 25.355 ( 0.000 -2.866 -5.854) 6.518 25.355 ( 0.000 -2.866 5.854) 6.518 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -0.365 9.872 -8.789) 13.222 3.151 ( -0.365 9.872 8.789) 13.222 3.249 ( -3.231 10.311 -6.176) 12.446 3.249 ( -3.231 10.311 6.176) 12.446 3.357 ( 0.490 7.615 -6.148) 9.799 3.357 ( 0.490 7.615 6.148) 9.799 3.513 ( -3.344 3.716 -13.688) 14.573 3.513 ( -3.344 3.716 13.688) 14.573 3.580 ( 2.688 5.866 -3.440) 7.312 3.580 ( 2.688 5.866 3.440) 7.312 3.667 ( -0.940 7.925 -2.721) 8.432 3.667 ( -0.940 7.925 2.722) 8.432 3.895 ( 7.296 2.243 -10.193) 12.734 3.895 ( 7.296 2.243 10.193) 12.734 4.085 ( 7.246 -6.961 -7.653) 12.630 4.085 ( 7.246 -6.961 7.653) 12.630 4.382 ( -4.833 2.678 -6.157) 8.273 4.382 ( -4.833 2.678 6.157) 8.272 4.672 ( -14.063 -5.824 -8.151) 17.267 4.672 ( -14.063 -5.824 8.151) 17.267 5.122 ( 11.397 -13.292 -9.085) 19.726 5.122 ( 11.397 -13.292 9.085) 19.726 5.372 ( -1.787 -11.950 -16.588) 20.523 5.372 ( -1.787 -11.950 16.588) 20.523 5.981 ( 0.796 1.655 -8.927) 9.114 5.981 ( 0.796 1.655 8.927) 9.114 6.075 ( -0.930 1.855 -5.860) 6.217 6.075 ( -0.930 1.855 5.860) 6.217 6.275 ( 0.081 0.170 -1.730) 1.740 6.275 ( 0.081 0.169 1.730) 1.740 6.396 ( -6.124 -0.471 -7.758) 9.895 6.396 ( -6.124 -0.471 7.758) 9.895 6.854 ( 6.357 7.705 -4.983) 11.163 6.854 ( 6.357 7.705 4.983) 11.163 6.943 ( 2.011 4.318 -4.668) 6.669 6.943 ( 2.011 4.318 4.668) 6.669 7.220 ( 1.578 5.883 -5.779) 8.396 7.220 ( 1.578 5.883 5.779) 8.396 7.334 ( -0.833 3.748 -10.106) 10.811 7.334 ( -0.833 3.748 10.106) 10.811 7.593 ( -1.194 1.942 -8.232) 8.541 7.593 ( -1.194 1.942 8.232) 8.541 7.643 ( -0.139 -1.203 -11.862) 11.924 7.643 ( -0.139 -1.203 11.862) 11.924 8.033 ( -0.239 4.054 -11.933) 12.605 8.033 ( -0.239 4.054 11.933) 12.605 8.207 ( -7.677 -1.595 -10.565) 13.157 8.207 ( -7.677 -1.595 10.565) 13.157 8.573 ( 3.818 2.045 -3.621) 5.646 8.573 ( 3.818 2.045 3.621) 5.646 8.666 ( 4.927 0.793 -7.006) 8.602 8.666 ( 4.927 0.793 7.006) 8.602 9.223 ( -2.400 7.634 -6.998) 10.631 9.223 ( -2.400 7.634 6.998) 10.631 9.399 ( -4.415 4.928 -3.567) 7.516 9.399 ( -4.415 4.928 3.567) 7.516 9.948 ( 1.561 3.326 -7.782) 8.606 9.948 ( 1.561 3.326 7.782) 8.606 10.021 ( 0.214 1.957 -9.881) 10.075 10.021 ( 0.214 1.957 9.881) 10.075 10.189 ( 5.150 3.156 -5.714) 8.314 10.189 ( 5.150 3.156 5.714) 8.314 10.380 ( -3.194 -2.880 -8.446) 9.478 10.380 ( -3.194 -2.880 8.446) 9.478 10.928 ( 0.845 1.997 -4.777) 5.246 10.928 ( 0.845 1.997 4.777) 5.246 10.968 ( -0.289 -0.397 -3.882) 3.913 10.968 ( -0.289 -0.397 3.882) 3.913 12.370 ( -1.141 2.983 -12.236) 12.646 12.370 ( -1.141 2.983 12.236) 12.646 12.481 ( -5.737 2.712 -8.842) 10.883 12.481 ( -5.737 2.712 8.842) 10.883 12.639 ( 6.056 2.326 -6.990) 9.537 12.639 ( 6.056 2.326 6.990) 9.537 12.755 ( 0.810 -0.354 -9.322) 9.364 12.755 ( 0.810 -0.354 9.322) 9.364 13.732 ( 1.674 -1.673 -5.896) 6.353 13.732 ( 1.674 -1.673 5.896) 6.353 13.882 ( -6.438 -4.143 -1.012) 7.723 13.882 ( -6.438 -4.143 1.012) 7.723 14.102 ( 4.569 -7.668 -3.581) 9.617 14.102 ( 4.569 -7.668 3.581) 9.617 14.180 ( -0.295 -11.870 -5.418) 13.051 14.180 ( -0.295 -11.870 5.418) 13.051 16.383 ( 6.261 7.613 -2.008) 10.059 16.383 ( 6.261 7.613 2.008) 10.059 16.767 ( -14.229 0.474 -5.957) 15.433 16.767 ( -14.229 0.474 5.957) 15.433 17.293 ( 13.792 -3.094 -10.401) 17.549 17.293 ( 13.792 -3.094 10.401) 17.549 17.648 ( -5.384 -8.908 -10.983) 15.132 17.648 ( -5.384 -8.908 10.983) 15.132 20.303 ( 2.997 11.090 -1.594) 11.598 20.303 ( 2.997 11.090 1.594) 11.598 20.488 ( -5.700 5.111 -10.795) 13.235 20.488 ( -5.700 5.111 10.795) 13.235 21.419 ( 5.044 -3.047 -8.653) 10.468 21.419 ( 5.044 -3.047 8.653) 10.468 21.587 ( -2.849 -10.335 -18.988) 21.805 21.587 ( -2.849 -10.335 18.988) 21.805 23.834 ( 2.340 -1.138 -3.013) 3.981 23.834 ( 2.340 -1.138 3.013) 3.981 23.951 ( -2.907 -6.273 -4.526) 8.263 23.951 ( -2.907 -6.273 4.526) 8.263 25.238 ( 2.494 1.595 -4.031) 5.001 25.238 ( 2.494 1.595 4.031) 5.001 25.337 ( -1.979 -2.249 -5.595) 6.347 25.337 ( -1.979 -2.249 5.595) 6.347 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -2.914 10.419 -9.794) 14.593 3.174 ( 2.756 10.419 -9.789) 14.559 3.174 ( -2.756 10.419 9.789) 14.559 3.174 ( 2.914 10.419 9.794) 14.593 3.426 ( -5.340 4.678 -10.550) 12.716 3.426 ( 5.308 4.678 -10.548) 12.702 3.426 ( -5.308 4.679 10.548) 12.702 3.426 ( 5.340 4.679 10.550) 12.716 3.629 ( -1.661 6.351 -14.770) 16.163 3.629 ( 1.436 6.351 -14.767) 16.139 3.629 ( -1.436 6.351 14.767) 16.139 3.629 ( 1.661 6.351 14.770) 16.163 4.067 ( -8.658 1.385 -5.089) 10.138 4.067 ( 4.086 1.385 -4.407) 6.167 4.067 ( -4.086 1.385 4.407) 6.167 4.067 ( 8.658 1.385 5.089) 10.138 4.436 ( -11.037 -3.750 -5.522) 12.898 4.436 ( 6.181 -3.750 -4.605) 8.572 4.436 ( -6.181 -3.750 4.605) 8.572 4.436 ( 11.037 -3.750 5.522) 12.898 5.292 ( -7.453 -13.293 -11.020) 18.807 5.292 ( 7.449 -13.293 -11.020) 18.805 5.292 ( -7.449 -13.293 11.020) 18.805 5.292 ( 7.453 -13.293 11.020) 18.807 6.025 ( -2.965 2.232 -9.686) 10.373 6.025 ( 2.438 2.232 -9.670) 10.219 6.025 ( -2.438 2.232 9.670) 10.219 6.025 ( 2.965 2.232 9.686) 10.373 6.307 ( -3.320 -0.109 -2.496) 4.155 6.307 ( 1.779 -0.109 -2.314) 2.921 6.307 ( -1.779 -0.109 2.314) 2.921 6.307 ( 3.320 -0.109 2.496) 4.155 6.942 ( -1.777 6.940 -7.854) 10.631 6.942 ( 1.357 6.940 -7.845) 10.562 6.942 ( -1.357 6.940 7.845) 10.562 6.942 ( 1.777 6.940 7.854) 10.631 7.284 ( -4.509 3.714 -9.514) 11.164 7.284 ( 4.269 3.714 -9.501) 11.058 7.284 ( -4.269 3.714 9.501) 11.058 7.284 ( 4.509 3.713 9.514) 11.164 7.604 ( -2.676 0.646 -10.880) 11.223 7.604 ( 2.662 0.646 -10.879) 11.219 7.604 ( -2.662 0.646 10.879) 11.219 7.604 ( 2.676 0.646 10.880) 11.223 8.087 ( -5.534 0.344 -12.340) 13.529 8.087 ( 5.298 0.344 -12.329) 13.424 8.087 ( -5.298 0.344 12.329) 13.424 8.087 ( 5.534 0.344 12.340) 13.529 8.657 ( -2.947 2.996 -6.666) 7.880 8.657 ( 1.329 2.996 -6.608) 7.376 8.657 ( -1.329 2.996 6.608) 7.376 8.657 ( 2.947 2.996 6.666) 7.880 9.278 ( -7.063 5.127 -5.833) 10.498 9.278 ( 5.585 5.127 -5.652) 9.456 9.278 ( -5.585 5.127 5.652) 9.456 9.278 ( 7.063 5.127 5.833) 10.498 9.994 ( -2.694 3.514 -8.609) 9.681 9.994 ( 2.657 3.514 -8.608) 9.670 9.994 ( -2.657 3.514 8.608) 9.670 9.994 ( 2.694 3.514 8.609) 9.681 10.296 ( -5.898 -0.273 -8.342) 10.220 10.296 ( 5.659 -0.273 -8.323) 10.069 10.296 ( -5.659 -0.273 8.323) 10.069 10.296 ( 5.898 -0.273 8.342) 10.220 10.951 ( -0.710 0.405 -5.982) 6.038 10.951 ( 0.524 0.405 -5.980) 6.017 10.951 ( -0.524 0.405 5.980) 6.017 10.951 ( 0.710 0.405 5.982) 6.038 12.391 ( -2.811 2.724 -14.976) 15.480 12.391 ( 2.558 2.724 -14.971) 15.431 12.391 ( -2.558 2.724 14.971) 15.431 12.391 ( 2.811 2.724 14.976) 15.480 12.732 ( -3.537 1.123 -7.777) 8.617 12.732 ( 3.414 1.123 -7.771) 8.561 12.732 ( -3.414 1.123 7.771) 8.562 12.732 ( 3.537 1.123 7.777) 8.617 13.784 ( -2.401 -2.323 -8.053) 8.719 13.784 ( 1.078 -2.323 -8.022) 8.421 13.784 ( -1.078 -2.323 8.022) 8.421 13.784 ( 2.401 -2.323 8.053) 8.719 14.161 ( -1.597 -10.162 -6.565) 12.203 14.161 ( 1.371 -10.162 -6.560) 12.172 14.161 ( -1.371 -10.162 6.560) 12.172 14.161 ( 1.597 -10.162 6.565) 12.203 16.540 ( -9.905 4.727 -5.209) 12.149 16.540 ( -0.115 4.727 -4.029) 6.213 16.540 ( 0.115 4.727 4.029) 6.213 16.540 ( 9.905 4.727 5.209) 12.149 17.508 ( -9.063 -6.754 -13.578) 17.667 17.508 ( 7.128 -6.754 -13.449) 16.652 17.508 ( -7.128 -6.754 13.449) 16.652 17.508 ( 9.063 -6.754 13.578) 17.667 20.381 ( -3.263 8.459 -8.917) 12.716 20.381 ( 1.269 8.459 -8.860) 12.315 20.381 ( -1.269 8.459 8.860) 12.315 20.381 ( 3.263 8.459 8.917) 12.716 21.514 ( -4.680 -7.118 -16.604) 18.662 21.514 ( 4.431 -7.118 -16.597) 18.594 21.514 ( -4.431 -7.118 16.597) 18.594 21.514 ( 4.680 -7.118 16.604) 18.662 23.889 ( -3.426 -3.431 -3.884) 6.213 23.889 ( 2.792 -3.431 -3.828) 5.850 23.889 ( -2.792 -3.431 3.828) 5.850 23.889 ( 3.426 -3.431 3.884) 6.213 25.290 ( -3.123 -0.540 -4.886) 5.824 25.290 ( 3.122 -0.540 -4.886) 5.823 25.290 ( -3.122 -0.540 4.886) 5.823 25.290 ( 3.123 -0.540 4.886) 5.824 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 0.000 7.507 -7.370) 10.520 3.339 ( 0.000 7.507 7.370) 10.520 3.375 ( 0.000 3.818 -11.097) 11.735 3.375 ( 0.000 3.818 11.097) 11.735 3.505 ( 0.000 0.773 -7.315) 7.355 3.505 ( 0.000 0.773 7.315) 7.356 3.555 ( 0.000 -3.211 -9.518) 10.045 3.555 ( 0.000 -3.211 9.518) 10.045 3.693 ( 0.000 6.805 -5.858) 8.979 3.693 ( 0.000 6.805 5.858) 8.979 3.788 ( 0.000 -2.445 -17.025) 17.200 3.788 ( 0.000 -2.445 17.025) 17.200 3.896 ( 0.000 10.506 -4.389) 11.386 3.896 ( 0.000 10.506 4.389) 11.386 3.947 ( 0.000 3.070 -5.217) 6.053 3.947 ( 0.000 3.070 5.217) 6.053 4.396 ( 0.000 -3.367 -9.134) 9.734 4.396 ( 0.000 -3.367 9.134) 9.734 4.547 ( 0.000 -17.928 -16.176) 24.147 4.547 ( 0.000 -17.928 16.176) 24.147 4.988 ( 0.000 9.063 -16.589) 18.903 4.988 ( 0.000 9.063 16.589) 18.903 5.178 ( 0.000 -10.005 -20.157) 22.503 5.178 ( 0.000 -10.005 20.157) 22.503 6.013 ( 0.000 2.799 -6.449) 7.030 6.013 ( 0.000 2.799 6.449) 7.030 6.076 ( 0.000 -2.745 -2.857) 3.962 6.076 ( 0.000 -2.745 2.857) 3.962 6.304 ( 0.000 3.924 -9.177) 9.981 6.304 ( 0.000 3.924 9.177) 9.981 6.402 ( 0.000 -5.183 -9.588) 10.899 6.402 ( 0.000 -5.183 9.588) 10.899 6.913 ( 0.000 5.166 -8.387) 9.850 6.913 ( 0.000 5.166 8.387) 9.850 6.960 ( 0.000 0.365 -9.884) 9.890 6.960 ( 0.000 0.365 9.884) 9.890 7.369 ( 0.000 5.012 -5.243) 7.253 7.369 ( 0.000 5.012 5.243) 7.253 7.388 ( 0.000 1.909 -8.790) 8.995 7.388 ( 0.000 1.909 8.790) 8.995 7.601 ( 0.000 0.352 -13.571) 13.576 7.601 ( 0.000 0.352 13.571) 13.576 7.623 ( 0.000 -1.019 -9.678) 9.732 7.623 ( 0.000 -1.019 9.678) 9.732 8.173 ( 0.000 6.004 -12.227) 13.621 8.173 ( 0.000 6.004 12.227) 13.621 8.267 ( 0.000 -3.380 -10.326) 10.865 8.267 ( 0.000 -3.380 10.326) 10.865 8.511 ( 0.000 0.319 -13.585) 13.589 8.511 ( 0.000 0.319 13.585) 13.589 8.553 ( 0.000 -3.177 -13.486) 13.855 8.553 ( 0.000 -3.177 13.486) 13.855 9.449 ( 0.000 7.321 -6.037) 9.489 9.449 ( 0.000 7.321 6.037) 9.489 9.507 ( 0.000 1.626 -2.771) 3.212 9.507 ( 0.000 1.626 2.771) 3.212 9.978 ( 0.000 1.106 -12.854) 12.902 9.978 ( 0.000 1.106 12.854) 12.902 9.998 ( 0.000 -0.836 -12.430) 12.458 9.998 ( 0.000 -0.836 12.430) 12.458 10.242 ( 0.000 4.482 -7.322) 8.585 10.242 ( 0.000 4.482 7.322) 8.585 10.324 ( 0.000 -4.218 -10.115) 10.959 10.324 ( 0.000 -4.218 10.115) 10.959 10.955 ( 0.000 0.378 -4.375) 4.391 10.955 ( 0.000 0.378 4.375) 4.391 10.956 ( 0.000 -0.207 -3.734) 3.740 10.956 ( 0.000 -0.207 3.734) 3.740 12.459 ( 0.000 3.914 -16.575) 17.031 12.459 ( 0.000 3.914 16.575) 17.031 12.543 ( 0.000 -3.595 -14.937) 15.364 12.543 ( 0.000 -3.595 14.937) 15.364 12.652 ( 0.000 4.643 -14.320) 15.054 12.652 ( 0.000 4.643 14.320) 15.054 12.711 ( 0.000 -1.159 -14.473) 14.520 12.711 ( 0.000 -1.159 14.473) 14.520 13.700 ( 0.000 0.680 -7.716) 7.746 13.700 ( 0.000 0.680 7.716) 7.746 13.785 ( 0.000 -8.398 -5.742) 10.173 13.785 ( 0.000 -8.398 5.742) 10.173 14.013 ( 0.000 -0.070 -8.143) 8.144 14.013 ( 0.000 -0.070 8.143) 8.144 14.032 ( 0.000 -3.041 -6.461) 7.141 14.032 ( 0.000 -3.041 6.461) 7.141 16.514 ( 0.000 10.613 -4.191) 11.411 16.514 ( 0.000 10.613 4.191) 11.411 16.738 ( 0.000 -12.567 -6.599) 14.195 16.738 ( 0.000 -12.567 6.599) 14.195 17.284 ( 0.000 11.195 -10.319) 15.225 17.284 ( 0.000 11.195 10.319) 15.225 17.497 ( 0.000 -10.721 -11.032) 15.383 17.497 ( 0.000 -10.721 11.032) 15.383 20.474 ( 0.000 7.897 -6.461) 10.203 20.474 ( 0.000 7.897 6.461) 10.203 20.567 ( 0.000 -1.599 -13.401) 13.496 20.567 ( 0.000 -1.599 13.401) 13.496 21.366 ( 0.000 1.119 -12.995) 13.043 21.366 ( 0.000 1.119 12.995) 13.043 21.434 ( 0.000 -6.359 -19.042) 20.076 21.434 ( 0.000 -6.359 19.042) 20.076 23.817 ( 0.000 0.992 -5.660) 5.747 23.817 ( 0.000 0.992 5.660) 5.747 23.863 ( 0.000 -4.091 -6.003) 7.265 23.863 ( 0.000 -4.091 6.003) 7.265 25.260 ( 0.000 2.173 -1.757) 2.795 25.260 ( 0.000 2.173 1.757) 2.795 25.303 ( 0.000 -2.425 -3.537) 4.289 25.303 ( 0.000 -2.425 3.537) 4.289 ======================= Grid point 267 (89/90) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( -0.220 7.059 -2.475) 7.484 3.328 ( -0.220 7.059 2.475) 7.484 3.388 ( -0.512 3.381 -7.073) 7.857 3.388 ( -0.512 3.381 7.073) 7.856 3.468 ( -1.413 2.529 -5.336) 6.071 3.468 ( -1.413 2.529 5.336) 6.071 3.541 ( -2.195 0.454 -8.258) 8.557 3.541 ( -2.195 0.454 8.259) 8.557 3.692 ( 0.862 5.822 -12.823) 14.109 3.692 ( 0.862 5.822 12.823) 14.109 3.762 ( -2.316 -0.143 -17.987) 18.136 3.762 ( -2.316 -0.143 17.987) 18.136 3.934 ( 3.494 1.041 -5.342) 6.468 3.934 ( 3.494 1.041 5.343) 6.468 3.999 ( 2.997 -2.127 -2.981) 4.732 3.999 ( 2.997 -2.127 2.981) 4.732 4.384 ( 1.993 3.409 -8.336) 9.224 4.384 ( 1.993 3.409 8.336) 9.224 4.586 ( 0.146 -8.527 -13.406) 15.889 4.586 ( 0.146 -8.527 13.406) 15.888 4.969 ( 0.427 1.896 -11.955) 12.112 4.969 ( 0.427 1.896 11.955) 12.112 5.149 ( -3.822 -10.705 -15.389) 19.131 5.149 ( -3.822 -10.705 15.389) 19.132 6.022 ( 1.240 2.765 -5.494) 6.275 6.022 ( 1.240 2.765 5.494) 6.275 6.076 ( -0.197 -2.010 -2.438) 3.166 6.076 ( -0.197 -2.010 2.438) 3.166 6.293 ( -0.619 2.362 -6.534) 6.976 6.293 ( -0.619 2.362 6.534) 6.976 6.361 ( -3.972 -2.957 -7.497) 8.985 6.361 ( -3.972 -2.957 7.497) 8.985 6.971 ( 6.073 3.860 -2.493) 7.615 6.971 ( 6.073 3.860 2.493) 7.615 7.006 ( 3.744 1.600 -7.220) 8.289 7.006 ( 3.744 1.600 7.220) 8.289 7.315 ( -2.479 2.893 -5.483) 6.677 7.315 ( -2.479 2.893 5.483) 6.677 7.404 ( -0.888 2.503 -10.030) 10.376 7.404 ( -0.888 2.503 10.030) 10.376 7.600 ( 0.058 -0.238 -10.624) 10.627 7.600 ( 0.058 -0.238 10.624) 10.627 7.642 ( 0.184 0.257 -11.116) 11.121 7.642 ( 0.184 0.257 11.116) 11.121 8.092 ( -5.450 1.764 -9.998) 11.522 8.092 ( -5.450 1.764 9.998) 11.522 8.183 ( -5.875 -0.644 -11.549) 12.973 8.183 ( -5.875 -0.644 11.549) 12.973 8.578 ( 6.893 -0.536 -9.891) 12.067 8.578 ( 6.893 -0.536 9.891) 12.067 8.674 ( 7.323 -0.048 -13.585) 15.433 8.674 ( 7.323 -0.048 13.585) 15.433 9.372 ( -5.099 6.041 -7.751) 11.071 9.372 ( -5.099 6.041 7.751) 11.071 9.466 ( -5.264 1.317 -4.588) 7.106 9.466 ( -5.264 1.317 4.588) 7.106 10.000 ( 3.054 1.737 -9.861) 10.468 10.000 ( 3.054 1.737 9.861) 10.468 10.050 ( 3.206 0.588 -7.250) 7.949 10.050 ( 3.206 0.588 7.250) 7.949 10.239 ( 0.359 2.347 -8.025) 8.368 10.239 ( 0.359 2.347 8.025) 8.368 10.315 ( -1.350 -3.239 -10.493) 11.064 10.315 ( -1.350 -3.239 10.493) 11.064 10.947 ( -0.129 0.233 -3.452) 3.462 10.947 ( -0.129 0.233 3.452) 3.462 10.961 ( -0.131 -0.252 -3.271) 3.284 10.961 ( -0.131 -0.252 3.271) 3.284 12.426 ( -1.093 2.467 -16.559) 16.778 12.426 ( -1.093 2.467 16.559) 16.778 12.546 ( -5.895 2.816 -10.435) 12.311 12.546 ( -5.895 2.816 10.435) 12.311 12.632 ( 5.071 -1.959 -7.533) 9.290 12.632 ( 5.071 -1.959 7.533) 9.290 12.748 ( 0.832 -0.374 -11.797) 11.832 12.748 ( 0.832 -0.374 11.797) 11.832 13.720 ( 2.255 1.340 -5.270) 5.887 13.720 ( 2.255 1.340 5.270) 5.887 13.793 ( 0.138 -5.267 -3.507) 6.329 13.793 ( 0.138 -5.267 3.507) 6.329 13.997 ( -0.586 -1.895 -6.864) 7.145 13.997 ( -0.586 -1.895 6.864) 7.145 14.033 ( -0.603 -3.922 -1.567) 4.266 14.033 ( -0.603 -3.922 1.567) 4.266 16.539 ( 2.753 8.310 -4.110) 9.670 16.539 ( 2.753 8.310 4.110) 9.670 16.693 ( -4.501 -7.022 -5.760) 10.137 16.693 ( -4.501 -7.022 5.760) 10.137 17.329 ( 4.462 5.807 -10.515) 12.814 17.329 ( 4.462 5.807 10.515) 12.814 17.476 ( -2.411 -8.605 -11.005) 14.176 17.476 ( -2.411 -8.605 11.005) 14.176 20.478 ( 0.610 6.578 -7.325) 9.864 20.478 ( 0.610 6.578 7.325) 9.864 20.543 ( -2.396 0.013 -12.043) 12.279 20.543 ( -2.396 0.013 12.043) 12.279 21.382 ( 1.585 -0.349 -13.414) 13.512 21.382 ( 1.585 -0.349 13.414) 13.512 21.430 ( -0.524 -5.262 -18.717) 19.449 21.430 ( -0.524 -5.262 18.717) 19.449 23.823 ( 0.719 0.250 -5.564) 5.616 23.823 ( 0.719 0.250 5.564) 5.616 23.857 ( -0.700 -3.199 -5.755) 6.622 23.857 ( -0.700 -3.199 5.755) 6.622 25.266 ( 0.729 1.441 -1.788) 2.410 25.266 ( 0.729 1.441 1.788) 2.410 25.297 ( -0.641 -1.792 -3.200) 3.723 25.297 ( -0.641 -1.792 3.200) 3.723 ======================= Grid point 269 (90/90) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -1.013 5.583 -7.195) 9.164 3.347 ( 0.526 5.583 -7.190) 9.118 3.347 ( -0.526 5.583 7.190) 9.118 3.347 ( 1.013 5.583 7.195) 9.164 3.492 ( -2.603 2.567 -9.966) 10.616 3.492 ( 2.506 2.567 -9.964) 10.590 3.492 ( -2.506 2.567 9.964) 10.590 3.492 ( 2.603 2.567 9.967) 10.616 3.722 ( -2.144 2.863 -17.975) 18.327 3.722 ( 2.144 2.863 -17.975) 18.327 3.722 ( -2.144 2.863 17.975) 18.327 3.722 ( 2.144 2.863 17.975) 18.327 3.995 ( -1.442 -5.966 -5.587) 8.300 3.995 ( 0.669 -5.967 -5.571) 8.190 3.995 ( -0.669 -5.967 5.571) 8.191 3.995 ( 1.442 -5.967 5.587) 8.301 4.494 ( -6.780 6.606 -17.673) 20.049 4.494 ( 5.472 6.606 -17.623) 19.600 4.494 ( -5.472 6.606 17.623) 19.600 4.494 ( 6.780 6.606 17.673) 20.049 5.047 ( -6.445 -9.825 -11.249) 16.266 5.047 ( 5.942 -9.825 -11.218) 16.052 5.047 ( -5.942 -9.825 11.218) 16.052 5.047 ( 6.445 -9.825 11.249) 16.266 6.056 ( -0.873 0.865 -10.407) 10.479 6.056 ( 0.624 0.865 -10.405) 10.459 6.056 ( -0.624 0.865 10.405) 10.459 6.056 ( 0.873 0.865 10.407) 10.479 6.302 ( -1.812 -0.300 -3.650) 4.086 6.302 ( 1.605 -0.300 -3.639) 3.988 6.302 ( -1.605 -0.300 3.639) 3.988 6.302 ( 1.812 -0.300 3.650) 4.086 7.045 ( -0.404 3.130 -9.514) 10.024 7.045 ( 0.366 3.130 -9.514) 10.022 7.045 ( -0.366 3.130 9.514) 10.022 7.045 ( 0.404 3.130 9.514) 10.024 7.341 ( -5.127 1.755 -11.609) 12.811 7.341 ( 5.127 1.755 -11.609) 12.811 7.341 ( -5.127 1.755 11.609) 12.811 7.341 ( 5.127 1.755 11.609) 12.811 7.613 ( -1.752 0.204 -10.428) 10.576 7.613 ( 1.746 0.204 -10.428) 10.575 7.613 ( -1.746 0.204 10.428) 10.575 7.613 ( 1.752 0.204 10.428) 10.576 8.088 ( -4.073 -0.047 -11.056) 11.782 8.088 ( 4.023 -0.047 -11.054) 11.763 8.088 ( -4.023 -0.047 11.054) 11.763 8.088 ( 4.073 -0.047 11.056) 11.782 8.697 ( -4.588 1.075 -10.625) 11.623 8.697 ( 4.519 1.075 -10.622) 11.593 8.697 ( -4.519 1.075 10.622) 11.593 8.697 ( 4.588 1.075 10.625) 11.623 9.363 ( -4.144 2.808 -8.711) 10.047 9.363 ( 3.895 2.808 -8.698) 9.936 9.363 ( -3.895 2.808 8.698) 9.936 9.363 ( 4.144 2.808 8.711) 10.047 10.057 ( -2.350 2.293 -6.698) 7.460 10.057 ( 2.347 2.293 -6.698) 7.459 10.057 ( -2.347 2.293 6.698) 7.459 10.057 ( 2.350 2.293 6.698) 7.460 10.273 ( -2.999 -1.353 -10.700) 11.194 10.273 ( 2.993 -1.353 -10.700) 11.192 10.273 ( -2.993 -1.353 10.700) 11.192 10.273 ( 2.999 -1.353 10.700) 11.194 10.953 ( -0.570 -0.115 -3.025) 3.081 10.953 ( 0.560 -0.115 -3.025) 3.078 10.953 ( -0.560 -0.115 3.025) 3.078 10.953 ( 0.570 -0.115 3.025) 3.081 12.450 ( -3.830 2.639 -16.098) 16.756 12.450 ( 3.813 2.639 -16.097) 16.752 12.450 ( -3.813 2.639 16.097) 16.752 12.450 ( 3.830 2.639 16.098) 16.756 12.720 ( -3.821 -1.575 -10.584) 11.362 12.720 ( 3.817 -1.576 -10.584) 11.361 12.720 ( -3.817 -1.575 10.584) 11.361 12.720 ( 3.821 -1.575 10.584) 11.362 13.769 ( -0.965 0.421 -6.741) 6.823 13.769 ( 0.268 0.421 -6.734) 6.753 13.769 ( -0.268 0.421 6.734) 6.753 13.769 ( 0.965 0.421 6.741) 6.823 14.010 ( -1.431 -4.764 -4.742) 6.872 14.010 ( 1.312 -4.764 -4.738) 6.846 14.010 ( -1.312 -4.764 4.738) 6.846 14.010 ( 1.431 -4.764 4.742) 6.872 16.606 ( -3.620 1.903 -6.826) 7.958 16.606 ( 2.305 1.903 -6.762) 7.394 16.606 ( -2.305 1.903 6.763) 7.394 16.606 ( 3.620 1.903 6.826) 7.958 17.413 ( -3.761 -2.674 -13.668) 14.426 17.413 ( 3.382 -2.674 -13.657) 14.321 17.413 ( -3.382 -2.674 13.657) 14.321 17.413 ( 3.761 -2.674 13.668) 14.426 20.501 ( -1.464 3.419 -13.617) 14.116 20.501 ( 1.360 3.419 -13.616) 14.104 20.501 ( -1.360 3.419 13.616) 14.104 20.501 ( 1.464 3.419 13.617) 14.116 21.412 ( -1.294 -2.969 -20.406) 20.661 21.412 ( 1.268 -2.969 -20.406) 20.660 21.412 ( -1.268 -2.969 20.406) 20.660 21.412 ( 1.294 -2.969 20.406) 20.661 23.840 ( -1.099 -1.400 -5.640) 5.914 23.840 ( 1.091 -1.400 -5.640) 5.912 23.840 ( -1.091 -1.400 5.640) 5.912 23.840 ( 1.099 -1.400 5.640) 5.914 25.282 ( -0.942 -0.225 -2.503) 2.684 25.282 ( 0.917 -0.225 -2.502) 2.674 25.282 ( -0.917 -0.225 2.502) 2.674 25.282 ( 0.942 -0.225 2.503) 2.684 =================== 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 3/38880 10.0 1937.824 1236.626 1242.489 0.000 0.000 0.000 3/38880 20.0 407.469 356.223 409.239 0.000 0.000 0.000 3/38880 30.0 132.061 125.924 152.544 0.000 0.000 0.000 3/38880 40.0 62.367 61.323 77.989 0.000 0.000 0.000 3/38880 50.0 36.820 36.563 48.285 0.000 0.000 0.000 3/38880 60.0 24.866 24.817 33.759 0.000 0.000 0.000 3/38880 70.0 18.314 18.346 25.540 0.000 0.000 0.000 3/38880 80.0 14.312 14.380 20.379 0.000 0.000 0.000 3/38880 90.0 11.669 11.754 16.889 0.000 0.000 0.000 3/38880 100.0 9.818 9.910 14.395 0.000 0.000 0.000 3/38880 110.0 8.462 8.555 12.536 0.000 0.000 0.000 3/38880 120.0 7.431 7.524 11.103 0.000 0.000 0.000 3/38880 130.0 6.624 6.715 9.968 0.000 0.000 0.000 3/38880 140.0 5.977 6.066 9.050 0.000 0.000 0.000 3/38880 150.0 5.448 5.534 8.292 0.000 0.000 0.000 3/38880 160.0 5.007 5.091 7.656 0.000 0.000 0.000 3/38880 170.0 4.635 4.716 7.116 0.000 0.000 0.000 3/38880 180.0 4.317 4.394 6.651 0.000 0.000 0.000 3/38880 190.0 4.042 4.116 6.247 0.000 0.000 0.000 3/38880 200.0 3.801 3.873 5.892 0.000 0.000 0.000 3/38880 210.0 3.590 3.658 5.578 0.000 0.000 0.000 3/38880 220.0 3.401 3.468 5.298 0.000 0.000 0.000 3/38880 230.0 3.233 3.297 5.047 0.000 0.000 0.000 3/38880 240.0 3.082 3.143 4.820 0.000 0.000 0.000 3/38880 250.0 2.945 3.004 4.614 0.000 0.000 0.000 3/38880 260.0 2.821 2.877 4.426 0.000 0.000 0.000 3/38880 270.0 2.707 2.762 4.253 0.000 0.000 0.000 3/38880 280.0 2.602 2.655 4.095 0.000 0.000 0.000 3/38880 290.0 2.506 2.557 3.948 0.000 0.000 0.000 3/38880 300.0 2.417 2.467 3.812 0.000 0.000 0.000 3/38880 310.0 2.335 2.382 3.686 0.000 0.000 0.000 3/38880 320.0 2.258 2.304 3.568 0.000 0.000 0.000 3/38880 330.0 2.186 2.231 3.458 0.000 0.000 0.000 3/38880 340.0 2.119 2.163 3.354 0.000 0.000 0.000 3/38880 350.0 2.056 2.099 3.257 0.000 0.000 0.000 3/38880 360.0 1.997 2.038 3.166 0.000 0.000 0.000 3/38880 370.0 1.941 1.982 3.080 0.000 0.000 0.000 3/38880 380.0 1.889 1.928 2.998 0.000 0.000 0.000 3/38880 390.0 1.839 1.877 2.921 0.000 0.000 0.000 3/38880 400.0 1.792 1.829 2.848 0.000 0.000 0.000 3/38880 410.0 1.748 1.784 2.778 0.000 0.000 0.000 3/38880 420.0 1.705 1.741 2.712 0.000 0.000 0.000 3/38880 430.0 1.665 1.699 2.649 0.000 0.000 0.000 3/38880 440.0 1.627 1.660 2.589 0.000 0.000 0.000 3/38880 450.0 1.590 1.623 2.532 0.000 0.000 0.000 3/38880 460.0 1.555 1.587 2.477 0.000 0.000 0.000 3/38880 470.0 1.521 1.553 2.425 0.000 0.000 0.000 3/38880 480.0 1.489 1.520 2.374 0.000 0.000 0.000 3/38880 490.0 1.459 1.489 2.326 0.000 0.000 0.000 3/38880 500.0 1.429 1.459 2.280 0.000 0.000 0.000 3/38880 510.0 1.401 1.430 2.236 0.000 0.000 0.000 3/38880 520.0 1.374 1.403 2.193 0.000 0.000 0.000 3/38880 530.0 1.348 1.376 2.152 0.000 0.000 0.000 3/38880 540.0 1.323 1.350 2.112 0.000 0.000 0.000 3/38880 550.0 1.299 1.326 2.074 0.000 0.000 0.000 3/38880 560.0 1.276 1.302 2.038 0.000 0.000 0.000 3/38880 570.0 1.253 1.279 2.002 0.000 0.000 0.000 3/38880 580.0 1.231 1.257 1.968 0.000 0.000 0.000 3/38880 590.0 1.210 1.236 1.935 0.000 0.000 0.000 3/38880 600.0 1.190 1.215 1.903 0.000 0.000 0.000 3/38880 610.0 1.171 1.195 1.872 0.000 0.000 0.000 3/38880 620.0 1.152 1.176 1.842 0.000 0.000 0.000 3/38880 630.0 1.134 1.157 1.813 0.000 0.000 0.000 3/38880 640.0 1.116 1.139 1.785 0.000 0.000 0.000 3/38880 650.0 1.099 1.121 1.758 0.000 0.000 0.000 3/38880 660.0 1.082 1.104 1.731 0.000 0.000 0.000 3/38880 670.0 1.066 1.088 1.706 0.000 0.000 0.000 3/38880 680.0 1.050 1.072 1.681 0.000 0.000 0.000 3/38880 690.0 1.035 1.056 1.657 0.000 0.000 0.000 3/38880 700.0 1.020 1.041 1.633 0.000 0.000 0.000 3/38880 710.0 1.006 1.027 1.610 0.000 0.000 0.000 3/38880 720.0 0.992 1.012 1.588 0.000 0.000 0.000 3/38880 730.0 0.978 0.999 1.567 0.000 0.000 0.000 3/38880 740.0 0.965 0.985 1.546 0.000 0.000 0.000 3/38880 750.0 0.952 0.972 1.525 0.000 0.000 0.000 3/38880 760.0 0.940 0.959 1.505 0.000 0.000 0.000 3/38880 770.0 0.928 0.947 1.486 0.000 0.000 0.000 3/38880 780.0 0.916 0.935 1.467 0.000 0.000 0.000 3/38880 790.0 0.904 0.923 1.449 0.000 0.000 0.000 3/38880 800.0 0.893 0.911 1.431 0.000 0.000 0.000 3/38880 810.0 0.882 0.900 1.413 0.000 0.000 0.000 3/38880 820.0 0.871 0.889 1.396 0.000 0.000 0.000 3/38880 830.0 0.861 0.878 1.379 0.000 0.000 0.000 3/38880 840.0 0.850 0.868 1.363 0.000 0.000 0.000 3/38880 850.0 0.840 0.858 1.347 0.000 0.000 0.000 3/38880 860.0 0.831 0.848 1.331 0.000 0.000 0.000 3/38880 870.0 0.821 0.838 1.316 0.000 0.000 0.000 3/38880 880.0 0.812 0.829 1.301 0.000 0.000 0.000 3/38880 890.0 0.803 0.819 1.287 0.000 0.000 0.000 3/38880 900.0 0.794 0.810 1.273 0.000 0.000 0.000 3/38880 910.0 0.785 0.801 1.259 0.000 0.000 0.000 3/38880 920.0 0.777 0.793 1.245 0.000 0.000 0.000 3/38880 930.0 0.768 0.784 1.232 0.000 0.000 0.000 3/38880 940.0 0.760 0.776 1.219 0.000 0.000 0.000 3/38880 950.0 0.752 0.768 1.206 0.000 0.000 0.000 3/38880 960.0 0.744 0.760 1.194 0.000 0.000 0.000 3/38880 970.0 0.737 0.752 1.181 0.000 0.000 0.000 3/38880 980.0 0.729 0.744 1.169 0.000 0.000 0.000 3/38880 990.0 0.722 0.737 1.158 0.000 0.000 0.000 3/38880 1000.0 0.715 0.729 1.146 0.000 0.000 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m4910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:21:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|