----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.872569839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.772347940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): *1 Ga 0.50000000000000 0.24274995636026 0.38413640532169 69.723 *2 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 *3 Ga 0.75000000000000 0.72952345238342 0.25000000000000 69.723 4 Ga 0.25000000000000 0.27047654761658 0.75000000000000 69.723 5 Ga 0.50000000000000 0.75725004363974 0.61586359467831 69.723 6 Ga 0.00000000000000 0.24274995636026 0.11586359467832 69.723 7 Ga 0.75000000000000 0.27047654761658 0.75000000000000 69.723 8 Ga 0.25000000000000 0.72952345238342 0.25000000000000 69.723 9 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 10 Ga 0.00000000000000 0.75725004363974 0.88413640532169 69.723 *11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 12 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *13 O 0.50000000000000 0.01907598540021 0.75672857671642 15.999 *14 O 0.76265103344172 0.75865866864231 0.48859438744194 15.999 *15 O 0.00000000000000 0.50798292758289 0.24590544243124 15.999 16 O 0.26265103344172 0.24134133135769 0.98859438744194 15.999 17 O 0.00000000000000 0.49201707241711 0.75409455756876 15.999 18 O 0.73734896655828 0.75865866864231 0.01140561255806 15.999 19 O 0.50000000000000 0.98092401459979 0.24327142328358 15.999 20 O 0.23734896655828 0.24134133135769 0.51140561255806 15.999 21 O 0.26265103344172 0.75865866864231 0.01140561255806 15.999 22 O 0.00000000000000 0.01907598540021 0.74327142328358 15.999 23 O 0.76265103344172 0.24134133135769 0.51140561255806 15.999 24 O 0.50000000000000 0.50798292758289 0.25409455756876 15.999 25 O 0.23734896655828 0.75865866864231 0.48859438744194 15.999 26 O 0.50000000000000 0.49201707241711 0.74590544243124 15.999 27 O 0.73734896655828 0.24134133135769 0.98859438744194 15.999 28 O 0.00000000000000 0.98092401459979 0.25672857671642 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.872569839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.772347940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): *1 Ga 0.50000000000000 0.24274995636026 0.38413640532169 69.723 > 1 *2 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 2 *3 Ga 0.75000000000000 0.72952345238342 0.25000000000000 69.723 > 3 4 Ga 0.25000000000000 0.27047654761658 0.75000000000000 69.723 > 4 5 Ga 0.50000000000000 0.75725004363974 0.61586359467831 69.723 > 5 6 Ga 0.00000000000000 0.24274995636026 0.11586359467832 69.723 > 6 7 Ga 0.75000000000000 0.27047654761658 0.75000000000000 69.723 > 7 8 Ga 0.25000000000000 0.72952345238342 0.25000000000000 69.723 > 8 9 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 9 10 Ga 0.00000000000000 0.75725004363974 0.88413640532169 69.723 > 10 *11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 11 12 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 12 *13 O 0.50000000000000 0.01907598540021 0.75672857671642 15.999 > 13 *14 O 0.76265103344172 0.75865866864231 0.48859438744194 15.999 > 14 *15 O 0.00000000000000 0.50798292758289 0.24590544243124 15.999 > 15 16 O 0.26265103344172 0.24134133135769 0.98859438744194 15.999 > 16 17 O 0.00000000000000 0.49201707241711 0.75409455756876 15.999 > 17 18 O 0.73734896655828 0.75865866864231 0.01140561255806 15.999 > 18 19 O 0.50000000000000 0.98092401459979 0.24327142328358 15.999 > 19 20 O 0.23734896655828 0.24134133135769 0.51140561255806 15.999 > 20 21 O 0.26265103344172 0.75865866864231 0.01140561255806 15.999 > 21 22 O 0.00000000000000 0.01907598540021 0.74327142328358 15.999 > 22 23 O 0.76265103344172 0.24134133135769 0.51140561255806 15.999 > 23 24 O 0.50000000000000 0.50798292758289 0.25409455756876 15.999 > 24 25 O 0.23734896655828 0.75865866864231 0.48859438744194 15.999 > 25 26 O 0.50000000000000 0.49201707241711 0.74590544243124 15.999 > 26 27 O 0.73734896655828 0.24134133135769 0.98859438744194 15.999 > 27 28 O 0.00000000000000 0.98092401459979 0.25672857671642 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.745139679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.544695880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): *1 Ga 0.25000000000000 0.12137497818013 0.38413640532169 69.723 > 1 2 Ga 0.75000000000000 0.12137497818013 0.38413640532169 69.723 > 1 3 Ga 0.25000000000000 0.62137497818013 0.38413640532169 69.723 > 1 4 Ga 0.75000000000000 0.62137497818013 0.38413640532169 69.723 > 1 *5 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 2 6 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 2 7 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 2 8 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 2 *9 Ga 0.37500000000000 0.36476172619171 0.25000000000000 69.723 > 3 10 Ga 0.87500000000000 0.36476172619171 0.25000000000000 69.723 > 3 11 Ga 0.37500000000000 0.86476172619171 0.25000000000000 69.723 > 3 12 Ga 0.87500000000000 0.86476172619171 0.25000000000000 69.723 > 3 13 Ga 0.12500000000000 0.13523827380829 0.75000000000000 69.723 > 4 14 Ga 0.62500000000000 0.13523827380829 0.75000000000000 69.723 > 4 15 Ga 0.12500000000000 0.63523827380829 0.75000000000000 69.723 > 4 16 Ga 0.62500000000000 0.63523827380829 0.75000000000000 69.723 > 4 17 Ga 0.25000000000000 0.37862502181987 0.61586359467831 69.723 > 5 18 Ga 0.75000000000000 0.37862502181987 0.61586359467831 69.723 > 5 19 Ga 0.25000000000000 0.87862502181987 0.61586359467831 69.723 > 5 20 Ga 0.75000000000000 0.87862502181987 0.61586359467831 69.723 > 5 21 Ga 0.00000000000000 0.12137497818013 0.11586359467832 69.723 > 6 22 Ga 0.50000000000000 0.12137497818013 0.11586359467832 69.723 > 6 23 Ga 0.00000000000000 0.62137497818013 0.11586359467832 69.723 > 6 24 Ga 0.50000000000000 0.62137497818013 0.11586359467832 69.723 > 6 25 Ga 0.37500000000000 0.13523827380829 0.75000000000000 69.723 > 7 26 Ga 0.87500000000000 0.13523827380829 0.75000000000000 69.723 > 7 27 Ga 0.37500000000000 0.63523827380829 0.75000000000000 69.723 > 7 28 Ga 0.87500000000000 0.63523827380829 0.75000000000000 69.723 > 7 29 Ga 0.12500000000000 0.36476172619171 0.25000000000000 69.723 > 8 30 Ga 0.62500000000000 0.36476172619171 0.25000000000000 69.723 > 8 31 Ga 0.12500000000000 0.86476172619171 0.25000000000000 69.723 > 8 32 Ga 0.62500000000000 0.86476172619171 0.25000000000000 69.723 > 8 33 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 9 34 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 9 35 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 9 36 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 9 37 Ga 0.00000000000000 0.37862502181987 0.88413640532169 69.723 > 10 38 Ga 0.50000000000000 0.37862502181987 0.88413640532169 69.723 > 10 39 Ga 0.00000000000000 0.87862502181987 0.88413640532169 69.723 > 10 40 Ga 0.50000000000000 0.87862502181987 0.88413640532169 69.723 > 10 *41 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 11 42 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 11 43 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 11 44 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 11 45 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 12 46 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 12 47 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 12 48 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 12 *49 O 0.25000000000000 0.00953799270010 0.75672857671642 15.999 > 13 50 O 0.75000000000000 0.00953799270010 0.75672857671642 15.999 > 13 51 O 0.25000000000000 0.50953799270010 0.75672857671642 15.999 > 13 52 O 0.75000000000000 0.50953799270010 0.75672857671642 15.999 > 13 *53 O 0.38132551672086 0.37932933432116 0.48859438744194 15.999 > 14 54 O 0.88132551672086 0.37932933432116 0.48859438744194 15.999 > 14 55 O 0.38132551672086 0.87932933432116 0.48859438744194 15.999 > 14 56 O 0.88132551672086 0.87932933432116 0.48859438744194 15.999 > 14 *57 O 0.00000000000000 0.25399146379144 0.24590544243124 15.999 > 15 58 O 0.50000000000000 0.25399146379144 0.24590544243124 15.999 > 15 59 O 0.00000000000000 0.75399146379144 0.24590544243124 15.999 > 15 60 O 0.50000000000000 0.75399146379144 0.24590544243124 15.999 > 15 61 O 0.13132551672086 0.12067066567884 0.98859438744194 15.999 > 16 62 O 0.63132551672086 0.12067066567884 0.98859438744194 15.999 > 16 63 O 0.13132551672086 0.62067066567884 0.98859438744194 15.999 > 16 64 O 0.63132551672086 0.62067066567884 0.98859438744194 15.999 > 16 65 O 0.00000000000000 0.24600853620856 0.75409455756876 15.999 > 17 66 O 0.50000000000000 0.24600853620856 0.75409455756876 15.999 > 17 67 O 0.00000000000000 0.74600853620856 0.75409455756876 15.999 > 17 68 O 0.50000000000000 0.74600853620856 0.75409455756876 15.999 > 17 69 O 0.36867448327914 0.37932933432116 0.01140561255806 15.999 > 18 70 O 0.86867448327914 0.37932933432116 0.01140561255806 15.999 > 18 71 O 0.36867448327914 0.87932933432116 0.01140561255806 15.999 > 18 72 O 0.86867448327914 0.87932933432116 0.01140561255806 15.999 > 18 73 O 0.25000000000000 0.49046200729990 0.24327142328358 15.999 > 19 74 O 0.75000000000000 0.49046200729990 0.24327142328358 15.999 > 19 75 O 0.25000000000000 0.99046200729990 0.24327142328358 15.999 > 19 76 O 0.75000000000000 0.99046200729990 0.24327142328358 15.999 > 19 77 O 0.11867448327914 0.12067066567884 0.51140561255806 15.999 > 20 78 O 0.61867448327914 0.12067066567884 0.51140561255806 15.999 > 20 79 O 0.11867448327914 0.62067066567884 0.51140561255806 15.999 > 20 80 O 0.61867448327914 0.62067066567884 0.51140561255806 15.999 > 20 81 O 0.13132551672086 0.37932933432116 0.01140561255806 15.999 > 21 82 O 0.63132551672086 0.37932933432116 0.01140561255806 15.999 > 21 83 O 0.13132551672086 0.87932933432116 0.01140561255806 15.999 > 21 84 O 0.63132551672086 0.87932933432116 0.01140561255806 15.999 > 21 85 O 0.00000000000000 0.00953799270010 0.74327142328358 15.999 > 22 86 O 0.50000000000000 0.00953799270010 0.74327142328358 15.999 > 22 87 O 0.00000000000000 0.50953799270010 0.74327142328358 15.999 > 22 88 O 0.50000000000000 0.50953799270010 0.74327142328358 15.999 > 22 89 O 0.38132551672086 0.12067066567884 0.51140561255806 15.999 > 23 90 O 0.88132551672086 0.12067066567884 0.51140561255806 15.999 > 23 91 O 0.38132551672086 0.62067066567884 0.51140561255806 15.999 > 23 92 O 0.88132551672086 0.62067066567884 0.51140561255806 15.999 > 23 93 O 0.25000000000000 0.25399146379144 0.25409455756876 15.999 > 24 94 O 0.75000000000000 0.25399146379144 0.25409455756876 15.999 > 24 95 O 0.25000000000000 0.75399146379144 0.25409455756876 15.999 > 24 96 O 0.75000000000000 0.75399146379144 0.25409455756876 15.999 > 24 97 O 0.11867448327914 0.37932933432116 0.48859438744194 15.999 > 25 98 O 0.61867448327914 0.37932933432116 0.48859438744194 15.999 > 25 99 O 0.11867448327914 0.87932933432116 0.48859438744194 15.999 > 25 100 O 0.61867448327914 0.87932933432116 0.48859438744194 15.999 > 25 101 O 0.25000000000000 0.24600853620856 0.74590544243124 15.999 > 26 102 O 0.75000000000000 0.24600853620856 0.74590544243124 15.999 > 26 103 O 0.25000000000000 0.74600853620856 0.74590544243124 15.999 > 26 104 O 0.75000000000000 0.74600853620856 0.74590544243124 15.999 > 26 105 O 0.36867448327914 0.12067066567884 0.98859438744194 15.999 > 27 106 O 0.86867448327914 0.12067066567884 0.98859438744194 15.999 > 27 107 O 0.36867448327914 0.62067066567884 0.98859438744194 15.999 > 27 108 O 0.86867448327914 0.62067066567884 0.98859438744194 15.999 > 27 109 O 0.00000000000000 0.49046200729990 0.25672857671642 15.999 > 28 110 O 0.50000000000000 0.49046200729990 0.25672857671642 15.999 > 28 111 O 0.00000000000000 0.99046200729990 0.25672857671642 15.999 > 28 112 O 0.50000000000000 0.99046200729990 0.25672857671642 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1752004 0.0000000 0.0000000 0.0000000 4.1089063 0.0000000 0.0000000 0.0000000 4.1141408 -------------------------- Born effective charges -------------------------- 1 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 -0.1911297 -0.0000000 0.1082247 2.9699737 2 Ga 3.5361167 0.0000000 0.0000000 0.0000000 2.9105548 -0.1636955 -0.0000000 -0.2805912 3.2082442 3 Ga 3.3228203 0.0000000 -0.1572681 0.0000000 3.0425210 -0.0000000 -0.1692949 -0.0000000 3.1661189 4 Ga 3.3228203 0.0000000 -0.1572681 0.0000000 3.0425210 -0.0000000 -0.1692949 -0.0000000 3.1661189 5 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 -0.1911297 -0.0000000 0.1082247 2.9699737 6 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 0.1911297 -0.0000000 -0.1082247 2.9699737 7 Ga 3.3228203 0.0000000 0.1572681 0.0000000 3.0425210 -0.0000000 0.1692949 -0.0000000 3.1661189 8 Ga 3.3228203 0.0000000 0.1572681 0.0000000 3.0425210 -0.0000000 0.1692949 -0.0000000 3.1661189 9 Ga 3.5361167 0.0000000 0.0000000 0.0000000 2.9105548 0.1636955 -0.0000000 0.2805912 3.2082442 10 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 0.1911297 -0.0000000 -0.1082247 2.9699737 11 Li 1.0950469 0.0000000 0.0000000 0.0000000 1.1453032 -0.0772533 -0.0000000 -0.0659745 1.0969738 12 Li 1.0950469 0.0000000 0.0000000 0.0000000 1.1453032 0.0772533 -0.0000000 0.0659745 1.0969738 13 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 -0.3463795 -0.0000000 -0.3284134 -2.2480092 14 O -2.2441718 -0.2417204 0.3443050 -0.2791631 -1.6634149 -0.0406812 0.3465574 -0.0755888 -2.1772216 15 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 -0.4267717 -0.0000000 -0.4140990 -1.6862493 16 O -2.2441718 0.2417204 0.3443050 0.2791631 -1.6634149 0.0406812 0.3465574 0.0755888 -2.1772216 17 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 -0.4267717 -0.0000000 -0.4140990 -1.6862493 18 O -2.2441718 0.2417204 0.3443050 0.2791631 -1.6634149 0.0406812 0.3465574 0.0755888 -2.1772216 19 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 -0.3463795 -0.0000000 -0.3284134 -2.2480092 20 O -2.2441718 -0.2417204 0.3443050 -0.2791631 -1.6634149 -0.0406812 0.3465574 -0.0755888 -2.1772216 21 O -2.2441718 -0.2417204 -0.3443050 -0.2791631 -1.6634149 0.0406812 -0.3465574 0.0755888 -2.1772216 22 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 0.3463795 -0.0000000 0.3284134 -2.2480092 23 O -2.2441718 0.2417204 -0.3443050 0.2791631 -1.6634149 -0.0406812 -0.3465574 -0.0755888 -2.1772216 24 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 0.4267717 -0.0000000 0.4140990 -1.6862493 25 O -2.2441718 0.2417204 -0.3443050 0.2791631 -1.6634149 -0.0406812 -0.3465574 -0.0755888 -2.1772216 26 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 0.4267717 -0.0000000 0.4140990 -1.6862493 27 O -2.2441718 -0.2417204 -0.3443050 -0.2791631 -1.6634149 0.0406812 -0.3465574 0.0755888 -2.1772216 28 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 0.3463795 -0.0000000 0.3284134 -2.2480092 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1935 Number of blocks in projector: 1935 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 275 Use standard eigh solver. Tree of FC basis block matrices: - (1935, 1896), data: False |-- (275, 268), data: True |-- (275, 268), data: True |-- (275, 268), data: True |-- (322, 320), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.109 Solver_block: 200 / 480 - Time: 3.122 Solver_block: 300 / 480 - Time: 3.125 Solver_block: 400 / 480 - Time: 3.125 Solver_block: 480 / 480 - Time: 2.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.054 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1935 Number of blocks in projector: 1935 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 275 Use standard eigh solver. Tree of FC basis block matrices: - (1935, 1896), data: False |-- (275, 268), data: True |-- (275, 268), data: True |-- (275, 268), data: True |-- (322, 320), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 09:53:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:53:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.872569839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.772347940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): 1 Ga 0.50000000000000 0.24274995636026 0.38413640532169 69.723 2 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 3 Ga 0.75000000000000 0.72952345238342 0.25000000000000 69.723 4 Ga 0.25000000000000 0.27047654761658 0.75000000000000 69.723 5 Ga 0.50000000000000 0.75725004363974 0.61586359467831 69.723 6 Ga 0.00000000000000 0.24274995636026 0.11586359467832 69.723 7 Ga 0.75000000000000 0.27047654761658 0.75000000000000 69.723 8 Ga 0.25000000000000 0.72952345238342 0.25000000000000 69.723 9 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 10 Ga 0.00000000000000 0.75725004363974 0.88413640532169 69.723 11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 12 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 13 O 0.50000000000000 0.01907598540021 0.75672857671642 15.999 14 O 0.76265103344172 0.75865866864231 0.48859438744194 15.999 15 O 0.00000000000000 0.50798292758289 0.24590544243124 15.999 16 O 0.26265103344172 0.24134133135769 0.98859438744194 15.999 17 O 0.00000000000000 0.49201707241711 0.75409455756876 15.999 18 O 0.73734896655828 0.75865866864231 0.01140561255806 15.999 19 O 0.50000000000000 0.98092401459979 0.24327142328358 15.999 20 O 0.23734896655828 0.24134133135769 0.51140561255806 15.999 21 O 0.26265103344172 0.75865866864231 0.01140561255806 15.999 22 O 0.00000000000000 0.01907598540021 0.74327142328358 15.999 23 O 0.76265103344172 0.24134133135769 0.51140561255806 15.999 24 O 0.50000000000000 0.50798292758289 0.25409455756876 15.999 25 O 0.23734896655828 0.75865866864231 0.48859438744194 15.999 26 O 0.50000000000000 0.49201707241711 0.74590544243124 15.999 27 O 0.73734896655828 0.24134133135769 0.98859438744194 15.999 28 O 0.00000000000000 0.98092401459979 0.25672857671642 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.745139679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.544695880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): 1 Ga 0.25000000000000 0.12137497818013 0.38413640532169 69.723 > 1 2 Ga 0.75000000000000 0.12137497818013 0.38413640532169 69.723 > 1 3 Ga 0.25000000000000 0.62137497818013 0.38413640532169 69.723 > 1 4 Ga 0.75000000000000 0.62137497818013 0.38413640532169 69.723 > 1 5 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 5 6 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 5 7 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 5 8 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 5 9 Ga 0.37500000000000 0.36476172619171 0.25000000000000 69.723 > 9 10 Ga 0.87500000000000 0.36476172619171 0.25000000000000 69.723 > 9 11 Ga 0.37500000000000 0.86476172619171 0.25000000000000 69.723 > 9 12 Ga 0.87500000000000 0.86476172619171 0.25000000000000 69.723 > 9 13 Ga 0.12500000000000 0.13523827380829 0.75000000000000 69.723 > 13 14 Ga 0.62500000000000 0.13523827380829 0.75000000000000 69.723 > 13 15 Ga 0.12500000000000 0.63523827380829 0.75000000000000 69.723 > 13 16 Ga 0.62500000000000 0.63523827380829 0.75000000000000 69.723 > 13 17 Ga 0.25000000000000 0.37862502181987 0.61586359467831 69.723 > 17 18 Ga 0.75000000000000 0.37862502181987 0.61586359467831 69.723 > 17 19 Ga 0.25000000000000 0.87862502181987 0.61586359467831 69.723 > 17 20 Ga 0.75000000000000 0.87862502181987 0.61586359467831 69.723 > 17 21 Ga 0.00000000000000 0.12137497818013 0.11586359467832 69.723 > 21 22 Ga 0.50000000000000 0.12137497818013 0.11586359467832 69.723 > 21 23 Ga 0.00000000000000 0.62137497818013 0.11586359467832 69.723 > 21 24 Ga 0.50000000000000 0.62137497818013 0.11586359467832 69.723 > 21 25 Ga 0.37500000000000 0.13523827380829 0.75000000000000 69.723 > 25 26 Ga 0.87500000000000 0.13523827380829 0.75000000000000 69.723 > 25 27 Ga 0.37500000000000 0.63523827380829 0.75000000000000 69.723 > 25 28 Ga 0.87500000000000 0.63523827380829 0.75000000000000 69.723 > 25 29 Ga 0.12500000000000 0.36476172619171 0.25000000000000 69.723 > 29 30 Ga 0.62500000000000 0.36476172619171 0.25000000000000 69.723 > 29 31 Ga 0.12500000000000 0.86476172619171 0.25000000000000 69.723 > 29 32 Ga 0.62500000000000 0.86476172619171 0.25000000000000 69.723 > 29 33 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 33 34 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 33 35 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 33 36 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 33 37 Ga 0.00000000000000 0.37862502181987 0.88413640532169 69.723 > 37 38 Ga 0.50000000000000 0.37862502181987 0.88413640532169 69.723 > 37 39 Ga 0.00000000000000 0.87862502181987 0.88413640532169 69.723 > 37 40 Ga 0.50000000000000 0.87862502181987 0.88413640532169 69.723 > 37 41 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 41 42 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 41 43 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 41 44 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 41 45 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 45 46 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 45 47 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 45 48 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 45 49 O 0.25000000000000 0.00953799270010 0.75672857671642 15.999 > 49 50 O 0.75000000000000 0.00953799270010 0.75672857671642 15.999 > 49 51 O 0.25000000000000 0.50953799270010 0.75672857671642 15.999 > 49 52 O 0.75000000000000 0.50953799270010 0.75672857671642 15.999 > 49 53 O 0.38132551672086 0.37932933432116 0.48859438744194 15.999 > 53 54 O 0.88132551672086 0.37932933432116 0.48859438744194 15.999 > 53 55 O 0.38132551672086 0.87932933432116 0.48859438744194 15.999 > 53 56 O 0.88132551672086 0.87932933432116 0.48859438744194 15.999 > 53 57 O 0.00000000000000 0.25399146379144 0.24590544243124 15.999 > 57 58 O 0.50000000000000 0.25399146379144 0.24590544243124 15.999 > 57 59 O 0.00000000000000 0.75399146379144 0.24590544243124 15.999 > 57 60 O 0.50000000000000 0.75399146379144 0.24590544243124 15.999 > 57 61 O 0.13132551672086 0.12067066567884 0.98859438744194 15.999 > 61 62 O 0.63132551672086 0.12067066567884 0.98859438744194 15.999 > 61 63 O 0.13132551672086 0.62067066567884 0.98859438744194 15.999 > 61 64 O 0.63132551672086 0.62067066567884 0.98859438744194 15.999 > 61 65 O 0.00000000000000 0.24600853620856 0.75409455756876 15.999 > 65 66 O 0.50000000000000 0.24600853620856 0.75409455756876 15.999 > 65 67 O 0.00000000000000 0.74600853620856 0.75409455756876 15.999 > 65 68 O 0.50000000000000 0.74600853620856 0.75409455756876 15.999 > 65 69 O 0.36867448327914 0.37932933432116 0.01140561255806 15.999 > 69 70 O 0.86867448327914 0.37932933432116 0.01140561255806 15.999 > 69 71 O 0.36867448327914 0.87932933432116 0.01140561255806 15.999 > 69 72 O 0.86867448327914 0.87932933432116 0.01140561255806 15.999 > 69 73 O 0.25000000000000 0.49046200729990 0.24327142328358 15.999 > 73 74 O 0.75000000000000 0.49046200729990 0.24327142328358 15.999 > 73 75 O 0.25000000000000 0.99046200729990 0.24327142328358 15.999 > 73 76 O 0.75000000000000 0.99046200729990 0.24327142328358 15.999 > 73 77 O 0.11867448327914 0.12067066567884 0.51140561255806 15.999 > 77 78 O 0.61867448327914 0.12067066567884 0.51140561255806 15.999 > 77 79 O 0.11867448327914 0.62067066567884 0.51140561255806 15.999 > 77 80 O 0.61867448327914 0.62067066567884 0.51140561255806 15.999 > 77 81 O 0.13132551672086 0.37932933432116 0.01140561255806 15.999 > 81 82 O 0.63132551672086 0.37932933432116 0.01140561255806 15.999 > 81 83 O 0.13132551672086 0.87932933432116 0.01140561255806 15.999 > 81 84 O 0.63132551672086 0.87932933432116 0.01140561255806 15.999 > 81 85 O 0.00000000000000 0.00953799270010 0.74327142328358 15.999 > 85 86 O 0.50000000000000 0.00953799270010 0.74327142328358 15.999 > 85 87 O 0.00000000000000 0.50953799270010 0.74327142328358 15.999 > 85 88 O 0.50000000000000 0.50953799270010 0.74327142328358 15.999 > 85 89 O 0.38132551672086 0.12067066567884 0.51140561255806 15.999 > 89 90 O 0.88132551672086 0.12067066567884 0.51140561255806 15.999 > 89 91 O 0.38132551672086 0.62067066567884 0.51140561255806 15.999 > 89 92 O 0.88132551672086 0.62067066567884 0.51140561255806 15.999 > 89 93 O 0.25000000000000 0.25399146379144 0.25409455756876 15.999 > 93 94 O 0.75000000000000 0.25399146379144 0.25409455756876 15.999 > 93 95 O 0.25000000000000 0.75399146379144 0.25409455756876 15.999 > 93 96 O 0.75000000000000 0.75399146379144 0.25409455756876 15.999 > 93 97 O 0.11867448327914 0.37932933432116 0.48859438744194 15.999 > 97 98 O 0.61867448327914 0.37932933432116 0.48859438744194 15.999 > 97 99 O 0.11867448327914 0.87932933432116 0.48859438744194 15.999 > 97 100 O 0.61867448327914 0.87932933432116 0.48859438744194 15.999 > 97 101 O 0.25000000000000 0.24600853620856 0.74590544243124 15.999 > 101 102 O 0.75000000000000 0.24600853620856 0.74590544243124 15.999 > 101 103 O 0.25000000000000 0.74600853620856 0.74590544243124 15.999 > 101 104 O 0.75000000000000 0.74600853620856 0.74590544243124 15.999 > 101 105 O 0.36867448327914 0.12067066567884 0.98859438744194 15.999 > 105 106 O 0.86867448327914 0.12067066567884 0.98859438744194 15.999 > 105 107 O 0.36867448327914 0.62067066567884 0.98859438744194 15.999 > 105 108 O 0.86867448327914 0.62067066567884 0.98859438744194 15.999 > 105 109 O 0.00000000000000 0.49046200729990 0.25672857671642 15.999 > 109 110 O 0.50000000000000 0.49046200729990 0.25672857671642 15.999 > 109 111 O 0.00000000000000 0.99046200729990 0.25672857671642 15.999 > 109 112 O 0.50000000000000 0.99046200729990 0.25672857671642 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1752004 0.0000000 0.0000000 0.0000000 4.1089063 0.0000000 0.0000000 0.0000000 4.1141408 -------------------------- Born effective charges -------------------------- 1 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 -0.1911297 -0.0000000 0.1082247 2.9699737 2 Ga 3.5361167 0.0000000 0.0000000 0.0000000 2.9105548 -0.1636955 -0.0000000 -0.2805912 3.2082442 3 Ga 3.3228203 0.0000000 -0.1572681 0.0000000 3.0425210 -0.0000000 -0.1692949 -0.0000000 3.1661189 4 Ga 3.3228203 0.0000000 -0.1572681 0.0000000 3.0425210 -0.0000000 -0.1692949 -0.0000000 3.1661189 5 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 -0.1911297 -0.0000000 0.1082247 2.9699737 6 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 0.1911297 -0.0000000 -0.1082247 2.9699737 7 Ga 3.3228203 0.0000000 0.1572681 0.0000000 3.0425210 -0.0000000 0.1692949 -0.0000000 3.1661189 8 Ga 3.3228203 0.0000000 0.1572681 0.0000000 3.0425210 -0.0000000 0.1692949 -0.0000000 3.1661189 9 Ga 3.5361167 0.0000000 0.0000000 0.0000000 2.9105548 0.1636955 -0.0000000 0.2805912 3.2082442 10 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 0.1911297 -0.0000000 -0.1082247 2.9699737 11 Li 1.0950469 0.0000000 0.0000000 0.0000000 1.1453032 -0.0772533 -0.0000000 -0.0659745 1.0969738 12 Li 1.0950469 0.0000000 0.0000000 0.0000000 1.1453032 0.0772533 -0.0000000 0.0659745 1.0969738 13 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 -0.3463795 -0.0000000 -0.3284134 -2.2480092 14 O -2.2441718 -0.2417204 0.3443050 -0.2791631 -1.6634149 -0.0406812 0.3465574 -0.0755888 -2.1772216 15 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 -0.4267717 -0.0000000 -0.4140990 -1.6862493 16 O -2.2441718 0.2417204 0.3443050 0.2791631 -1.6634149 0.0406812 0.3465574 0.0755888 -2.1772216 17 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 -0.4267717 -0.0000000 -0.4140990 -1.6862493 18 O -2.2441718 0.2417204 0.3443050 0.2791631 -1.6634149 0.0406812 0.3465574 0.0755888 -2.1772216 19 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 -0.3463795 -0.0000000 -0.3284134 -2.2480092 20 O -2.2441718 -0.2417204 0.3443050 -0.2791631 -1.6634149 -0.0406812 0.3465574 -0.0755888 -2.1772216 21 O -2.2441718 -0.2417204 -0.3443050 -0.2791631 -1.6634149 0.0406812 -0.3465574 0.0755888 -2.1772216 22 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 0.3463795 -0.0000000 0.3284134 -2.2480092 23 O -2.2441718 0.2417204 -0.3443050 0.2791631 -1.6634149 -0.0406812 -0.3465574 -0.0755888 -2.1772216 24 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 0.4267717 -0.0000000 0.4140990 -1.6862493 25 O -2.2441718 0.2417204 -0.3443050 0.2791631 -1.6634149 -0.0406812 -0.3465574 -0.0755888 -2.1772216 26 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 0.4267717 -0.0000000 0.4140990 -1.6862493 27 O -2.2441718 -0.2417204 -0.3443050 -0.2791631 -1.6634149 0.0406812 -0.3465574 0.0755888 -2.1772216 28 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 0.3463795 -0.0000000 0.3284134 -2.2480092 ---------------------------------------------------------------------------- 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[ 5, 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 53, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:54:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:54:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.872569839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.772347940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): 1 Ga 0.50000000000000 0.24274995636026 0.38413640532169 69.723 2 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 3 Ga 0.75000000000000 0.72952345238342 0.25000000000000 69.723 4 Ga 0.25000000000000 0.27047654761658 0.75000000000000 69.723 5 Ga 0.50000000000000 0.75725004363974 0.61586359467831 69.723 6 Ga 0.00000000000000 0.24274995636026 0.11586359467832 69.723 7 Ga 0.75000000000000 0.27047654761658 0.75000000000000 69.723 8 Ga 0.25000000000000 0.72952345238342 0.25000000000000 69.723 9 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 10 Ga 0.00000000000000 0.75725004363974 0.88413640532169 69.723 11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 12 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 13 O 0.50000000000000 0.01907598540021 0.75672857671642 15.999 14 O 0.76265103344172 0.75865866864231 0.48859438744194 15.999 15 O 0.00000000000000 0.50798292758289 0.24590544243124 15.999 16 O 0.26265103344172 0.24134133135769 0.98859438744194 15.999 17 O 0.00000000000000 0.49201707241711 0.75409455756876 15.999 18 O 0.73734896655828 0.75865866864231 0.01140561255806 15.999 19 O 0.50000000000000 0.98092401459979 0.24327142328358 15.999 20 O 0.23734896655828 0.24134133135769 0.51140561255806 15.999 21 O 0.26265103344172 0.75865866864231 0.01140561255806 15.999 22 O 0.00000000000000 0.01907598540021 0.74327142328358 15.999 23 O 0.76265103344172 0.24134133135769 0.51140561255806 15.999 24 O 0.50000000000000 0.50798292758289 0.25409455756876 15.999 25 O 0.23734896655828 0.75865866864231 0.48859438744194 15.999 26 O 0.50000000000000 0.49201707241711 0.74590544243124 15.999 27 O 0.73734896655828 0.24134133135769 0.98859438744194 15.999 28 O 0.00000000000000 0.98092401459979 0.25672857671642 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.745139679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.544695880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.183968179999999 Atomic positions (fractional): 1 Ga 0.25000000000000 0.12137497818013 0.38413640532169 69.723 > 1 2 Ga 0.75000000000000 0.12137497818013 0.38413640532169 69.723 > 1 3 Ga 0.25000000000000 0.62137497818013 0.38413640532169 69.723 > 1 4 Ga 0.75000000000000 0.62137497818013 0.38413640532169 69.723 > 1 5 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 5 6 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 5 7 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 5 8 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 5 9 Ga 0.37500000000000 0.36476172619171 0.25000000000000 69.723 > 9 10 Ga 0.87500000000000 0.36476172619171 0.25000000000000 69.723 > 9 11 Ga 0.37500000000000 0.86476172619171 0.25000000000000 69.723 > 9 12 Ga 0.87500000000000 0.86476172619171 0.25000000000000 69.723 > 9 13 Ga 0.12500000000000 0.13523827380829 0.75000000000000 69.723 > 13 14 Ga 0.62500000000000 0.13523827380829 0.75000000000000 69.723 > 13 15 Ga 0.12500000000000 0.63523827380829 0.75000000000000 69.723 > 13 16 Ga 0.62500000000000 0.63523827380829 0.75000000000000 69.723 > 13 17 Ga 0.25000000000000 0.37862502181987 0.61586359467831 69.723 > 17 18 Ga 0.75000000000000 0.37862502181987 0.61586359467831 69.723 > 17 19 Ga 0.25000000000000 0.87862502181987 0.61586359467831 69.723 > 17 20 Ga 0.75000000000000 0.87862502181987 0.61586359467831 69.723 > 17 21 Ga 0.00000000000000 0.12137497818013 0.11586359467832 69.723 > 21 22 Ga 0.50000000000000 0.12137497818013 0.11586359467832 69.723 > 21 23 Ga 0.00000000000000 0.62137497818013 0.11586359467832 69.723 > 21 24 Ga 0.50000000000000 0.62137497818013 0.11586359467832 69.723 > 21 25 Ga 0.37500000000000 0.13523827380829 0.75000000000000 69.723 > 25 26 Ga 0.87500000000000 0.13523827380829 0.75000000000000 69.723 > 25 27 Ga 0.37500000000000 0.63523827380829 0.75000000000000 69.723 > 25 28 Ga 0.87500000000000 0.63523827380829 0.75000000000000 69.723 > 25 29 Ga 0.12500000000000 0.36476172619171 0.25000000000000 69.723 > 29 30 Ga 0.62500000000000 0.36476172619171 0.25000000000000 69.723 > 29 31 Ga 0.12500000000000 0.86476172619171 0.25000000000000 69.723 > 29 32 Ga 0.62500000000000 0.86476172619171 0.25000000000000 69.723 > 29 33 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 33 34 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 33 35 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 33 36 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 33 37 Ga 0.00000000000000 0.37862502181987 0.88413640532169 69.723 > 37 38 Ga 0.50000000000000 0.37862502181987 0.88413640532169 69.723 > 37 39 Ga 0.00000000000000 0.87862502181987 0.88413640532169 69.723 > 37 40 Ga 0.50000000000000 0.87862502181987 0.88413640532169 69.723 > 37 41 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 41 42 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 41 43 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 41 44 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 41 45 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 45 46 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 45 47 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 45 48 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 45 49 O 0.25000000000000 0.00953799270010 0.75672857671642 15.999 > 49 50 O 0.75000000000000 0.00953799270010 0.75672857671642 15.999 > 49 51 O 0.25000000000000 0.50953799270010 0.75672857671642 15.999 > 49 52 O 0.75000000000000 0.50953799270010 0.75672857671642 15.999 > 49 53 O 0.38132551672086 0.37932933432116 0.48859438744194 15.999 > 53 54 O 0.88132551672086 0.37932933432116 0.48859438744194 15.999 > 53 55 O 0.38132551672086 0.87932933432116 0.48859438744194 15.999 > 53 56 O 0.88132551672086 0.87932933432116 0.48859438744194 15.999 > 53 57 O 0.00000000000000 0.25399146379144 0.24590544243124 15.999 > 57 58 O 0.50000000000000 0.25399146379144 0.24590544243124 15.999 > 57 59 O 0.00000000000000 0.75399146379144 0.24590544243124 15.999 > 57 60 O 0.50000000000000 0.75399146379144 0.24590544243124 15.999 > 57 61 O 0.13132551672086 0.12067066567884 0.98859438744194 15.999 > 61 62 O 0.63132551672086 0.12067066567884 0.98859438744194 15.999 > 61 63 O 0.13132551672086 0.62067066567884 0.98859438744194 15.999 > 61 64 O 0.63132551672086 0.62067066567884 0.98859438744194 15.999 > 61 65 O 0.00000000000000 0.24600853620856 0.75409455756876 15.999 > 65 66 O 0.50000000000000 0.24600853620856 0.75409455756876 15.999 > 65 67 O 0.00000000000000 0.74600853620856 0.75409455756876 15.999 > 65 68 O 0.50000000000000 0.74600853620856 0.75409455756876 15.999 > 65 69 O 0.36867448327914 0.37932933432116 0.01140561255806 15.999 > 69 70 O 0.86867448327914 0.37932933432116 0.01140561255806 15.999 > 69 71 O 0.36867448327914 0.87932933432116 0.01140561255806 15.999 > 69 72 O 0.86867448327914 0.87932933432116 0.01140561255806 15.999 > 69 73 O 0.25000000000000 0.49046200729990 0.24327142328358 15.999 > 73 74 O 0.75000000000000 0.49046200729990 0.24327142328358 15.999 > 73 75 O 0.25000000000000 0.99046200729990 0.24327142328358 15.999 > 73 76 O 0.75000000000000 0.99046200729990 0.24327142328358 15.999 > 73 77 O 0.11867448327914 0.12067066567884 0.51140561255806 15.999 > 77 78 O 0.61867448327914 0.12067066567884 0.51140561255806 15.999 > 77 79 O 0.11867448327914 0.62067066567884 0.51140561255806 15.999 > 77 80 O 0.61867448327914 0.62067066567884 0.51140561255806 15.999 > 77 81 O 0.13132551672086 0.37932933432116 0.01140561255806 15.999 > 81 82 O 0.63132551672086 0.37932933432116 0.01140561255806 15.999 > 81 83 O 0.13132551672086 0.87932933432116 0.01140561255806 15.999 > 81 84 O 0.63132551672086 0.87932933432116 0.01140561255806 15.999 > 81 85 O 0.00000000000000 0.00953799270010 0.74327142328358 15.999 > 85 86 O 0.50000000000000 0.00953799270010 0.74327142328358 15.999 > 85 87 O 0.00000000000000 0.50953799270010 0.74327142328358 15.999 > 85 88 O 0.50000000000000 0.50953799270010 0.74327142328358 15.999 > 85 89 O 0.38132551672086 0.12067066567884 0.51140561255806 15.999 > 89 90 O 0.88132551672086 0.12067066567884 0.51140561255806 15.999 > 89 91 O 0.38132551672086 0.62067066567884 0.51140561255806 15.999 > 89 92 O 0.88132551672086 0.62067066567884 0.51140561255806 15.999 > 89 93 O 0.25000000000000 0.25399146379144 0.25409455756876 15.999 > 93 94 O 0.75000000000000 0.25399146379144 0.25409455756876 15.999 > 93 95 O 0.25000000000000 0.75399146379144 0.25409455756876 15.999 > 93 96 O 0.75000000000000 0.75399146379144 0.25409455756876 15.999 > 93 97 O 0.11867448327914 0.37932933432116 0.48859438744194 15.999 > 97 98 O 0.61867448327914 0.37932933432116 0.48859438744194 15.999 > 97 99 O 0.11867448327914 0.87932933432116 0.48859438744194 15.999 > 97 100 O 0.61867448327914 0.87932933432116 0.48859438744194 15.999 > 97 101 O 0.25000000000000 0.24600853620856 0.74590544243124 15.999 > 101 102 O 0.75000000000000 0.24600853620856 0.74590544243124 15.999 > 101 103 O 0.25000000000000 0.74600853620856 0.74590544243124 15.999 > 101 104 O 0.75000000000000 0.74600853620856 0.74590544243124 15.999 > 101 105 O 0.36867448327914 0.12067066567884 0.98859438744194 15.999 > 105 106 O 0.86867448327914 0.12067066567884 0.98859438744194 15.999 > 105 107 O 0.36867448327914 0.62067066567884 0.98859438744194 15.999 > 105 108 O 0.86867448327914 0.62067066567884 0.98859438744194 15.999 > 105 109 O 0.00000000000000 0.49046200729990 0.25672857671642 15.999 > 109 110 O 0.50000000000000 0.49046200729990 0.25672857671642 15.999 > 109 111 O 0.00000000000000 0.99046200729990 0.25672857671642 15.999 > 109 112 O 0.50000000000000 0.99046200729990 0.25672857671642 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1752004 0.0000000 0.0000000 0.0000000 4.1089063 0.0000000 0.0000000 0.0000000 4.1141408 -------------------------- Born effective charges -------------------------- 1 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 -0.1911297 -0.0000000 0.1082247 2.9699737 2 Ga 3.5361167 0.0000000 0.0000000 0.0000000 2.9105548 -0.1636955 -0.0000000 -0.2805912 3.2082442 3 Ga 3.3228203 0.0000000 -0.1572681 0.0000000 3.0425210 -0.0000000 -0.1692949 -0.0000000 3.1661189 4 Ga 3.3228203 0.0000000 -0.1572681 0.0000000 3.0425210 -0.0000000 -0.1692949 -0.0000000 3.1661189 5 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 -0.1911297 -0.0000000 0.1082247 2.9699737 6 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 0.1911297 -0.0000000 -0.1082247 2.9699737 7 Ga 3.3228203 0.0000000 0.1572681 0.0000000 3.0425210 -0.0000000 0.1692949 -0.0000000 3.1661189 8 Ga 3.3228203 0.0000000 0.1572681 0.0000000 3.0425210 -0.0000000 0.1692949 -0.0000000 3.1661189 9 Ga 3.5361167 0.0000000 0.0000000 0.0000000 2.9105548 0.1636955 -0.0000000 0.2805912 3.2082442 10 Ga 2.7939155 0.0000000 0.0000000 0.0000000 3.1396677 0.1911297 -0.0000000 -0.1082247 2.9699737 11 Li 1.0950469 0.0000000 0.0000000 0.0000000 1.1453032 -0.0772533 -0.0000000 -0.0659745 1.0969738 12 Li 1.0950469 0.0000000 0.0000000 0.0000000 1.1453032 0.0772533 -0.0000000 0.0659745 1.0969738 13 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 -0.3463795 -0.0000000 -0.3284134 -2.2480092 14 O -2.2441718 -0.2417204 0.3443050 -0.2791631 -1.6634149 -0.0406812 0.3465574 -0.0755888 -2.1772216 15 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 -0.4267717 -0.0000000 -0.4140990 -1.6862493 16 O -2.2441718 0.2417204 0.3443050 0.2791631 -1.6634149 0.0406812 0.3465574 0.0755888 -2.1772216 17 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 -0.4267717 -0.0000000 -0.4140990 -1.6862493 18 O -2.2441718 0.2417204 0.3443050 0.2791631 -1.6634149 0.0406812 0.3465574 0.0755888 -2.1772216 19 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 -0.3463795 -0.0000000 -0.3284134 -2.2480092 20 O -2.2441718 -0.2417204 0.3443050 -0.2791631 -1.6634149 -0.0406812 0.3465574 -0.0755888 -2.1772216 21 O -2.2441718 -0.2417204 -0.3443050 -0.2791631 -1.6634149 0.0406812 -0.3465574 0.0755888 -2.1772216 22 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 0.3463795 -0.0000000 0.3284134 -2.2480092 23 O -2.2441718 0.2417204 -0.3443050 0.2791631 -1.6634149 -0.0406812 -0.3465574 -0.0755888 -2.1772216 24 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 0.4267717 -0.0000000 0.4140990 -1.6862493 25 O -2.2441718 0.2417204 -0.3443050 0.2791631 -1.6634149 -0.0406812 -0.3465574 -0.0755888 -2.1772216 26 O -2.0156527 0.0000000 0.0000000 0.0000000 -2.5577640 0.4267717 -0.0000000 0.4140990 -1.6862493 27 O -2.2441718 -0.2417204 -0.3443050 -0.2791631 -1.6634149 0.0406812 -0.3465574 0.0755888 -2.1772216 28 O -1.9283211 0.0000000 0.0000000 0.0000000 -2.3255241 0.3463795 -0.0000000 0.3284134 -2.2480092 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 319, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 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 3.741 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 10.937 ( 0.000 0.000 0.000) 0.000 11.112 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.090 ( 0.000 0.000 0.000) 0.000 13.281 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.476 ( 0.000 0.000 0.000) 0.000 13.801 ( 0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.660 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 0.000) 0.000 15.176 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 15.316 ( 0.000 0.000 0.000) 0.000 15.548 ( 0.000 0.000 0.000) 0.000 15.804 ( 0.000 0.000 0.000) 0.000 15.916 ( 0.000 0.000 0.000) 0.000 16.316 ( 0.000 0.000 0.000) 0.000 16.581 ( 0.000 0.000 0.000) 0.000 17.234 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.579 ( 0.000 0.000 0.000) 0.000 17.785 ( 0.000 0.000 0.000) 0.000 17.920 ( 0.000 0.000 0.000) 0.000 17.934 ( 0.000 0.000 0.000) 0.000 18.027 ( 0.000 0.000 0.000) 0.000 18.733 ( 0.000 0.000 0.000) 0.000 18.737 ( 0.000 0.000 0.000) 0.000 20.114 ( 0.000 0.000 0.000) 0.000 20.270 ( 0.000 0.000 0.000) 0.000 21.183 ( 0.000 0.000 0.000) 0.000 21.233 ( 0.000 0.000 0.000) 0.000 21.582 ( 0.000 0.000 0.000) 0.000 21.741 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 30.517 0.000 0.000) 30.517 0.859 ( 45.032 0.000 0.000) 45.032 1.448 ( 75.466 0.000 0.000) 75.466 3.796 ( 5.326 0.000 0.000) 5.326 3.840 ( 0.158 0.000 0.000) 0.158 4.096 ( -3.659 0.000 0.000) 3.659 4.132 ( 14.764 0.000 0.000) 14.764 4.405 ( -7.558 0.000 0.000) 7.558 4.419 ( 2.131 0.000 0.000) 2.131 4.548 ( -13.260 0.000 0.000) 13.260 4.862 ( -5.551 0.000 0.000) 5.551 5.141 ( 7.353 0.000 0.000) 7.353 5.237 ( 2.799 0.000 0.000) 2.799 5.243 ( 11.980 0.000 0.000) 11.980 5.554 ( -0.444 0.000 0.000) 0.444 5.638 ( -8.649 0.000 0.000) 8.649 5.691 ( 4.675 0.000 0.000) 4.675 5.835 ( 2.793 0.000 0.000) 2.793 6.157 ( 5.481 0.000 0.000) 5.481 6.193 ( 7.969 0.000 0.000) 7.969 6.205 ( -2.837 0.000 0.000) 2.837 6.538 ( 11.680 0.000 0.000) 11.680 7.007 ( 4.689 0.000 0.000) 4.689 7.538 ( 1.000 0.000 0.000) 1.000 7.610 ( 1.442 0.000 0.000) 1.442 8.009 ( -10.863 0.000 0.000) 10.863 8.316 ( -2.926 0.000 0.000) 2.926 8.316 ( 4.899 0.000 0.000) 4.899 8.559 ( -4.332 0.000 0.000) 4.332 8.871 ( 1.861 0.000 0.000) 1.861 8.902 ( 3.896 0.000 0.000) 3.896 9.229 ( -5.108 0.000 0.000) 5.108 9.471 ( 7.744 0.000 0.000) 7.744 9.882 ( 1.206 0.000 0.000) 1.206 9.903 ( -4.780 0.000 0.000) 4.780 9.984 ( -4.054 0.000 0.000) 4.054 10.216 ( 7.498 0.000 0.000) 7.498 10.287 ( 13.615 0.000 0.000) 13.615 10.431 ( 2.740 0.000 0.000) 2.740 10.738 ( 8.533 0.000 0.000) 8.533 10.932 ( -0.671 0.000 0.000) 0.671 11.074 ( -4.139 0.000 0.000) 4.139 11.147 ( -8.381 0.000 0.000) 8.381 11.343 ( -1.098 0.000 0.000) 1.098 11.557 ( -3.021 0.000 0.000) 3.021 11.896 ( -6.001 0.000 0.000) 6.001 12.182 ( 4.832 0.000 0.000) 4.832 12.208 ( -0.969 0.000 0.000) 0.969 12.631 ( -10.097 0.000 0.000) 10.097 12.721 ( -2.309 0.000 0.000) 2.309 13.034 ( -10.922 0.000 0.000) 10.922 13.124 ( -8.488 0.000 0.000) 8.488 13.179 ( -5.589 0.000 0.000) 5.589 13.661 ( 13.049 0.000 0.000) 13.049 13.812 ( 1.008 0.000 0.000) 1.008 14.177 ( 5.772 0.000 0.000) 5.772 14.417 ( 5.921 0.000 0.000) 5.921 14.717 ( 5.822 0.000 0.000) 5.822 14.853 ( -2.775 0.000 0.000) 2.775 14.962 ( 7.031 0.000 0.000) 7.031 15.224 ( 4.293 0.000 0.000) 4.293 15.255 ( -2.580 0.000 0.000) 2.580 15.310 ( -0.740 0.000 0.000) 0.740 15.498 ( -4.726 0.000 0.000) 4.726 15.832 ( 8.293 0.000 0.000) 8.293 15.840 ( 3.362 0.000 0.000) 3.362 15.905 ( -1.057 0.000 0.000) 1.057 16.318 ( 0.314 0.000 0.000) 0.314 16.549 ( -3.340 0.000 0.000) 3.340 17.113 ( -10.615 0.000 0.000) 10.615 17.241 ( -9.357 0.000 0.000) 9.357 17.614 ( 1.196 0.000 0.000) 1.196 17.886 ( 8.488 0.000 0.000) 8.488 17.933 ( 1.373 0.000 0.000) 1.373 18.000 ( -1.733 0.000 0.000) 1.733 18.715 ( -1.882 0.000 0.000) 1.882 18.819 ( 8.511 0.000 0.000) 8.511 20.189 ( 7.533 0.000 0.000) 7.533 20.255 ( -1.556 0.000 0.000) 1.556 21.224 ( -0.966 0.000 0.000) 0.966 21.226 ( 4.374 0.000 0.000) 4.374 21.349 ( -2.811 0.000 0.000) 2.811 21.535 ( -4.743 0.000 0.000) 4.743 21.750 ( 0.797 0.000 0.000) 0.797 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 31.460 0.000 0.000) 31.460 1.696 ( 43.126 0.000 0.000) 43.126 2.834 ( 70.410 0.000 0.000) 70.410 3.849 ( 0.845 0.000 0.000) 0.845 3.912 ( 6.046 0.000 0.000) 6.046 3.933 ( -15.690 0.000 0.000) 15.690 4.238 ( -9.690 0.000 0.000) 9.690 4.307 ( -8.839 0.000 0.000) 8.839 4.460 ( 2.108 0.000 0.000) 2.108 4.467 ( 17.791 0.000 0.000) 17.791 4.733 ( -7.340 0.000 0.000) 7.340 5.251 ( 0.033 0.000 0.000) 0.033 5.293 ( 2.764 0.000 0.000) 2.764 5.457 ( -5.172 0.000 0.000) 5.172 5.524 ( 14.723 0.000 0.000) 14.723 5.542 ( -0.806 0.000 0.000) 0.806 5.783 ( 4.407 0.000 0.000) 4.407 5.946 ( 10.843 0.000 0.000) 10.843 6.226 ( 4.494 0.000 0.000) 4.494 6.285 ( 7.400 0.000 0.000) 7.400 6.366 ( 9.079 0.000 0.000) 9.079 6.767 ( 12.535 0.000 0.000) 12.535 7.111 ( 4.222 0.000 0.000) 4.222 7.562 ( 2.333 0.000 0.000) 2.333 7.644 ( 1.651 0.000 0.000) 1.651 7.790 ( -11.865 0.000 0.000) 11.865 8.207 ( -9.051 0.000 0.000) 9.051 8.375 ( 1.161 0.000 0.000) 1.161 8.484 ( -2.975 0.000 0.000) 2.975 8.911 ( 1.543 0.000 0.000) 1.543 8.976 ( 3.709 0.000 0.000) 3.709 9.108 ( -6.326 0.000 0.000) 6.326 9.649 ( 9.233 0.000 0.000) 9.233 9.821 ( -2.543 0.000 0.000) 2.543 9.901 ( -4.344 0.000 0.000) 4.344 9.937 ( 4.559 0.000 0.000) 4.559 10.323 ( 3.337 0.000 0.000) 3.337 10.590 ( 14.057 0.000 0.000) 14.057 10.607 ( 17.425 0.000 0.000) 17.425 10.897 ( -1.708 0.000 0.000) 1.708 10.934 ( 9.575 0.000 0.000) 9.575 10.953 ( -8.615 0.000 0.000) 8.615 10.953 ( -9.663 0.000 0.000) 9.663 11.322 ( -0.787 0.000 0.000) 0.787 11.485 ( -4.196 0.000 0.000) 4.196 11.744 ( -9.317 0.000 0.000) 9.317 12.193 ( -0.454 0.000 0.000) 0.454 12.215 ( -6.949 0.000 0.000) 6.949 12.464 ( -1.411 0.000 0.000) 1.411 12.616 ( -8.274 0.000 0.000) 8.274 12.688 ( -20.479 0.000 0.000) 20.479 13.046 ( -3.530 0.000 0.000) 3.530 13.176 ( 4.716 0.000 0.000) 4.716 13.825 ( -0.151 0.000 0.000) 0.151 13.916 ( 14.047 0.000 0.000) 14.047 14.296 ( 5.783 0.000 0.000) 5.783 14.471 ( -0.113 0.000 0.000) 0.113 14.820 ( 0.100 0.000 0.000) 0.100 14.866 ( 9.431 0.000 0.000) 9.431 15.154 ( 11.752 0.000 0.000) 11.752 15.182 ( -5.295 0.000 0.000) 5.295 15.285 ( -1.863 0.000 0.000) 1.863 15.314 ( 4.924 0.000 0.000) 4.924 15.391 ( -5.970 0.000 0.000) 5.970 15.880 ( -1.497 0.000 0.000) 1.497 15.912 ( 3.814 0.000 0.000) 3.814 16.049 ( 13.998 0.000 0.000) 13.998 16.334 ( 1.675 0.000 0.000) 1.675 16.465 ( -5.031 0.000 0.000) 5.031 16.894 ( -11.730 0.000 0.000) 11.730 17.031 ( -12.309 0.000 0.000) 12.309 17.554 ( -7.824 0.000 0.000) 7.824 17.972 ( 2.618 0.000 0.000) 2.618 18.017 ( 4.068 0.000 0.000) 4.068 18.041 ( 6.971 0.000 0.000) 6.971 18.661 ( -3.909 0.000 0.000) 3.909 19.043 ( 14.645 0.000 0.000) 14.645 20.210 ( -3.284 0.000 0.000) 3.284 20.375 ( 11.423 0.000 0.000) 11.423 21.198 ( -1.706 0.000 0.000) 1.706 21.274 ( -5.042 0.000 0.000) 5.042 21.339 ( 7.173 0.000 0.000) 7.173 21.414 ( -7.672 0.000 0.000) 7.672 21.763 ( 0.379 0.000 0.000) 0.379 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 32.078 0.000 0.000) 32.078 2.478 ( 38.989 0.000 0.000) 38.989 3.520 ( -25.779 0.000 0.000) 25.779 3.876 ( 2.092 0.000 0.000) 2.092 3.993 ( 1.947 0.000 0.000) 1.947 4.034 ( -12.396 0.000 0.000) 12.396 4.076 ( 58.604 0.000 0.000) 58.604 4.230 ( -0.600 0.000 0.000) 0.600 4.506 ( 4.006 0.000 0.000) 4.006 4.611 ( -5.143 0.000 0.000) 5.143 4.636 ( -4.358 0.000 0.000) 4.358 5.184 ( 1.634 0.000 0.000) 1.634 5.333 ( 1.293 0.000 0.000) 1.293 5.520 ( -1.719 0.000 0.000) 1.719 5.525 ( 7.586 0.000 0.000) 7.586 5.717 ( 6.877 0.000 0.000) 6.877 5.837 ( 0.817 0.000 0.000) 0.817 6.276 ( 21.437 0.000 0.000) 21.437 6.349 ( 7.659 0.000 0.000) 7.659 6.410 ( 4.648 0.000 0.000) 4.648 6.502 ( 4.810 0.000 0.000) 4.810 7.016 ( 13.870 0.000 0.000) 13.870 7.039 ( -13.323 0.000 0.000) 13.323 7.582 ( -9.215 0.000 0.000) 9.215 7.645 ( -2.437 0.000 0.000) 2.437 7.694 ( 11.630 0.000 0.000) 11.630 7.980 ( -13.760 0.000 0.000) 13.760 8.353 ( -3.753 0.000 0.000) 3.753 8.468 ( 1.829 0.000 0.000) 1.829 8.864 ( -6.819 0.000 0.000) 6.819 9.040 ( 3.021 0.000 0.000) 3.021 9.058 ( 1.252 0.000 0.000) 1.252 9.772 ( 3.393 0.000 0.000) 3.393 9.830 ( -2.967 0.000 0.000) 2.967 9.844 ( 5.300 0.000 0.000) 5.300 10.051 ( 7.337 0.000 0.000) 7.337 10.389 ( 4.321 0.000 0.000) 4.321 10.603 ( -13.416 0.000 0.000) 13.416 10.753 ( -12.176 0.000 0.000) 12.176 10.807 ( -7.009 0.000 0.000) 7.009 10.893 ( 16.224 0.000 0.000) 16.224 11.113 ( 21.954 0.000 0.000) 21.954 11.116 ( 8.077 0.000 0.000) 8.077 11.332 ( 2.446 0.000 0.000) 2.446 11.417 ( -2.467 0.000 0.000) 2.467 11.577 ( -7.701 0.000 0.000) 7.701 11.949 ( -16.685 0.000 0.000) 16.685 12.195 ( 0.725 0.000 0.000) 0.725 12.309 ( -19.462 0.000 0.000) 19.462 12.448 ( -8.626 0.000 0.000) 8.626 12.564 ( 7.972 0.000 0.000) 7.972 12.965 ( -5.062 0.000 0.000) 5.062 13.313 ( 8.900 0.000 0.000) 8.900 13.788 ( -4.040 0.000 0.000) 4.040 14.199 ( 15.916 0.000 0.000) 15.916 14.369 ( 1.899 0.000 0.000) 1.899 14.442 ( -2.216 0.000 0.000) 2.216 14.874 ( 5.486 0.000 0.000) 5.486 15.043 ( -9.787 0.000 0.000) 9.787 15.047 ( 8.925 0.000 0.000) 8.925 15.225 ( -3.768 0.000 0.000) 3.768 15.294 ( -3.821 0.000 0.000) 3.821 15.363 ( 8.533 0.000 0.000) 8.533 15.405 ( 4.434 0.000 0.000) 4.434 15.858 ( -0.455 0.000 0.000) 0.455 15.965 ( 1.018 0.000 0.000) 1.018 16.298 ( 8.674 0.000 0.000) 8.674 16.385 ( -2.422 0.000 0.000) 2.422 16.431 ( 11.916 0.000 0.000) 11.916 16.685 ( -10.113 0.000 0.000) 10.113 16.792 ( -12.590 0.000 0.000) 12.590 17.346 ( -13.388 0.000 0.000) 13.388 18.030 ( 3.448 0.000 0.000) 3.448 18.133 ( 2.582 0.000 0.000) 2.582 18.133 ( 7.505 0.000 0.000) 7.505 18.567 ( -5.964 0.000 0.000) 5.964 19.352 ( 17.364 0.000 0.000) 17.364 20.121 ( -6.521 0.000 0.000) 6.521 20.601 ( 12.031 0.000 0.000) 12.031 21.160 ( -7.026 0.000 0.000) 7.026 21.164 ( -1.779 0.000 0.000) 1.779 21.267 ( -7.126 0.000 0.000) 7.126 21.483 ( 7.653 0.000 0.000) 7.653 21.756 ( -1.277 0.000 0.000) 1.277 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 31.579 0.000 0.000) 31.579 2.920 ( -21.119 0.000 0.000) 21.119 3.232 ( 24.043 0.000 0.000) 24.043 3.725 ( -21.600 0.000 0.000) 21.600 3.927 ( 3.190 0.000 0.000) 3.190 3.984 ( -2.363 0.000 0.000) 2.363 4.268 ( 4.831 0.000 0.000) 4.831 4.427 ( -11.984 0.000 0.000) 11.984 4.505 ( 2.312 0.000 0.000) 2.312 4.543 ( -2.322 0.000 0.000) 2.322 5.077 ( 36.690 0.000 0.000) 36.690 5.281 ( 4.949 0.000 0.000) 4.949 5.336 ( -1.138 0.000 0.000) 1.138 5.451 ( -7.411 0.000 0.000) 7.411 5.680 ( 8.137 0.000 0.000) 8.137 5.804 ( -4.359 0.000 0.000) 4.359 5.893 ( 15.740 0.000 0.000) 15.740 6.320 ( -19.810 0.000 0.000) 19.810 6.481 ( 5.523 0.000 0.000) 5.523 6.541 ( -0.677 0.000 0.000) 0.677 6.624 ( 12.456 0.000 0.000) 12.456 6.764 ( -8.216 0.000 0.000) 8.216 7.288 ( 14.348 0.000 0.000) 14.348 7.499 ( 2.304 0.000 0.000) 2.304 7.527 ( -10.029 0.000 0.000) 10.029 7.673 ( -13.571 0.000 0.000) 13.571 7.989 ( 13.955 0.000 0.000) 13.955 8.224 ( -9.909 0.000 0.000) 9.909 8.555 ( 6.967 0.000 0.000) 6.967 8.709 ( -8.698 0.000 0.000) 8.698 9.085 ( 1.530 0.000 0.000) 1.530 9.090 ( 1.072 0.000 0.000) 1.072 9.795 ( -0.681 0.000 0.000) 0.681 9.795 ( -0.138 0.000 0.000) 0.138 10.007 ( 11.112 0.000 0.000) 11.112 10.172 ( 0.549 0.000 0.000) 0.549 10.377 ( -4.516 0.000 0.000) 4.516 10.494 ( 6.878 0.000 0.000) 6.878 10.514 ( -12.307 0.000 0.000) 12.307 10.648 ( -8.999 0.000 0.000) 8.999 11.145 ( 9.060 0.000 0.000) 9.060 11.212 ( 1.448 0.000 0.000) 1.448 11.403 ( 1.187 0.000 0.000) 1.187 11.431 ( 8.187 0.000 0.000) 8.187 11.462 ( -4.629 0.000 0.000) 4.629 11.532 ( 19.060 0.000 0.000) 19.060 11.659 ( -11.049 0.000 0.000) 11.049 11.942 ( -19.719 0.000 0.000) 19.719 12.226 ( 2.737 0.000 0.000) 2.737 12.307 ( -5.992 0.000 0.000) 5.992 12.717 ( 7.825 0.000 0.000) 7.825 12.854 ( -6.633 0.000 0.000) 6.633 13.494 ( 9.839 0.000 0.000) 9.839 13.670 ( -8.251 0.000 0.000) 8.251 14.386 ( 0.534 0.000 0.000) 0.534 14.404 ( -1.544 0.000 0.000) 1.544 14.511 ( 16.669 0.000 0.000) 16.669 14.811 ( -14.461 0.000 0.000) 14.461 15.003 ( 7.352 0.000 0.000) 7.352 15.132 ( -6.019 0.000 0.000) 6.019 15.181 ( 4.979 0.000 0.000) 4.979 15.243 ( -2.214 0.000 0.000) 2.214 15.470 ( 2.687 0.000 0.000) 2.687 15.471 ( 2.185 0.000 0.000) 2.185 15.875 ( 2.409 0.000 0.000) 2.409 15.937 ( -3.364 0.000 0.000) 3.364 16.400 ( 3.937 0.000 0.000) 3.937 16.416 ( 6.491 0.000 0.000) 6.491 16.515 ( -7.745 0.000 0.000) 7.745 16.573 ( -10.129 0.000 0.000) 10.129 16.737 ( 17.648 0.000 0.000) 17.648 17.063 ( -16.348 0.000 0.000) 16.348 18.096 ( 3.265 0.000 0.000) 3.265 18.142 ( -1.305 0.000 0.000) 1.305 18.285 ( 8.295 0.000 0.000) 8.295 18.438 ( -7.615 0.000 0.000) 7.615 19.677 ( 16.362 0.000 0.000) 16.362 19.949 ( -11.893 0.000 0.000) 11.893 20.819 ( 10.886 0.000 0.000) 10.886 21.008 ( -9.028 0.000 0.000) 9.028 21.141 ( -0.325 0.000 0.000) 0.325 21.166 ( -3.306 0.000 0.000) 3.306 21.616 ( 6.168 0.000 0.000) 6.168 21.710 ( -3.707 0.000 0.000) 3.707 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 30.758 0.000) 30.758 0.831 ( 0.000 42.726 0.000) 42.726 1.389 ( 0.000 70.906 0.000) 70.906 3.777 ( 0.000 3.686 0.000) 3.686 3.886 ( 0.000 4.422 0.000) 4.422 3.930 ( 0.000 -5.636 0.000) 5.636 4.188 ( 0.000 5.812 0.000) 5.812 4.380 ( 0.000 0.173 0.000) 0.173 4.619 ( 0.000 7.823 0.000) 7.823 4.674 ( 0.000 -1.786 0.000) 1.786 4.916 ( 0.000 -0.367 0.000) 0.367 4.999 ( 0.000 -3.631 0.000) 3.631 5.136 ( 0.000 -7.694 0.000) 7.694 5.164 ( 0.000 2.427 0.000) 2.427 5.529 ( 0.000 -2.546 0.000) 2.546 5.576 ( 0.000 -6.169 0.000) 6.169 5.759 ( 0.000 -3.313 0.000) 3.313 5.897 ( 0.000 5.969 0.000) 5.969 5.959 ( 0.000 -7.191 0.000) 7.191 6.213 ( 0.000 4.220 0.000) 4.220 6.231 ( 0.000 -8.312 0.000) 8.312 6.586 ( 0.000 6.119 0.000) 6.119 7.029 ( 0.000 5.594 0.000) 5.594 7.562 ( 0.000 3.763 0.000) 3.763 7.625 ( 0.000 3.513 0.000) 3.513 8.112 ( 0.000 -8.862 0.000) 8.862 8.181 ( 0.000 10.852 0.000) 10.852 8.383 ( 0.000 4.392 0.000) 4.392 8.705 ( 0.000 9.204 0.000) 9.204 8.843 ( 0.000 -1.633 0.000) 1.633 8.935 ( 0.000 7.545 0.000) 7.545 9.283 ( 0.000 1.932 0.000) 1.932 9.334 ( 0.000 3.220 0.000) 3.220 9.520 ( 0.000 12.786 0.000) 12.786 9.881 ( 0.000 0.555 0.000) 0.555 9.982 ( 0.000 3.065 0.000) 3.065 10.086 ( 0.000 5.202 0.000) 5.202 10.362 ( 0.000 -1.046 0.000) 1.046 10.702 ( 0.000 5.509 0.000) 5.509 10.963 ( 0.000 2.809 0.000) 2.809 11.076 ( 0.000 -3.804 0.000) 3.804 11.133 ( 0.000 -8.071 0.000) 8.071 11.361 ( 0.000 0.656 0.000) 0.656 11.377 ( 0.000 2.039 0.000) 2.039 11.726 ( 0.000 -3.360 0.000) 3.360 11.856 ( 0.000 -9.477 0.000) 9.477 12.158 ( 0.000 2.438 0.000) 2.438 12.204 ( 0.000 -1.729 0.000) 1.729 12.619 ( 0.000 -4.779 0.000) 4.779 12.697 ( 0.000 -3.558 0.000) 3.558 13.062 ( 0.000 1.082 0.000) 1.082 13.184 ( 0.000 9.013 0.000) 9.013 13.252 ( 0.000 -2.595 0.000) 2.595 13.499 ( 0.000 2.457 0.000) 2.457 13.753 ( 0.000 -0.453 0.000) 0.453 13.833 ( 0.000 3.021 0.000) 3.021 14.055 ( 0.000 -5.698 0.000) 5.698 14.341 ( 0.000 1.023 0.000) 1.023 14.802 ( 0.000 -9.177 0.000) 9.177 14.877 ( 0.000 -3.063 0.000) 3.063 15.170 ( 0.000 1.137 0.000) 1.137 15.270 ( 0.000 -0.366 0.000) 0.366 15.360 ( 0.000 3.547 0.000) 3.547 15.388 ( 0.000 5.858 0.000) 5.858 15.453 ( 0.000 -8.592 0.000) 8.592 15.887 ( 0.000 7.645 0.000) 7.645 16.268 ( 0.000 -4.534 0.000) 4.534 16.603 ( 0.000 2.217 0.000) 2.217 16.863 ( 0.000 7.858 0.000) 7.858 17.320 ( 0.000 -2.712 0.000) 2.712 17.625 ( 0.000 3.247 0.000) 3.247 17.786 ( 0.000 0.107 0.000) 0.107 17.926 ( 0.000 -0.773 0.000) 0.773 17.994 ( 0.000 8.448 0.000) 8.448 18.040 ( 0.000 1.366 0.000) 1.366 18.693 ( 0.000 -4.029 0.000) 4.029 18.718 ( 0.000 -1.921 0.000) 1.921 19.696 ( 0.000 2.067 0.000) 2.067 20.085 ( 0.000 -3.131 0.000) 3.131 20.931 ( 0.000 2.292 0.000) 2.292 21.129 ( 0.000 -4.381 0.000) 4.381 21.252 ( 0.000 0.790 0.000) 0.790 21.734 ( 0.000 -0.632 0.000) 0.632 22.107 ( 0.000 1.346 0.000) 1.346 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 31.287 28.583 0.000) 42.378 1.199 ( 28.638 32.539 0.000) 43.347 1.798 ( 50.482 42.264 0.000) 65.839 3.828 ( 4.882 3.308 0.000) 5.897 3.878 ( -0.159 3.432 0.000) 3.436 4.080 ( 13.914 -5.783 0.000) 15.068 4.160 ( -3.298 5.932 0.000) 6.788 4.396 ( 0.130 0.394 0.000) 0.415 4.543 ( -4.800 10.777 0.000) 11.797 4.546 ( -11.799 -0.182 0.000) 11.800 4.863 ( -5.246 -0.033 0.000) 5.246 5.102 ( 9.895 -3.454 0.000) 10.481 5.180 ( 3.949 -6.208 0.000) 7.357 5.273 ( 10.103 2.279 0.000) 10.357 5.511 ( -0.776 -4.143 0.000) 4.215 5.654 ( 6.116 -3.616 0.000) 7.105 5.682 ( -11.595 1.042 0.000) 11.642 5.758 ( -2.029 -1.858 0.000) 2.751 6.012 ( 5.698 -8.954 0.000) 10.613 6.271 ( 5.624 3.450 0.000) 6.598 6.287 ( 1.938 0.616 0.000) 2.034 6.571 ( 4.812 4.850 0.000) 6.833 7.082 ( 5.024 5.886 0.000) 7.739 7.526 ( -2.682 1.555 0.000) 3.100 7.666 ( 3.095 3.796 0.000) 4.898 8.002 ( -8.465 -3.009 0.000) 8.984 8.316 ( 5.653 3.150 0.000) 6.471 8.349 ( -3.813 3.656 0.000) 5.282 8.669 ( -3.076 10.745 0.000) 11.176 8.854 ( 1.292 -1.818 0.000) 2.230 8.971 ( 3.092 6.433 0.000) 7.137 9.315 ( -1.054 6.973 0.000) 7.052 9.496 ( 6.597 0.753 0.000) 6.640 9.703 ( 18.597 -2.919 0.000) 18.825 9.921 ( -5.752 2.532 0.000) 6.285 9.976 ( 11.479 -0.594 0.000) 11.494 10.056 ( -2.593 6.331 0.000) 6.842 10.368 ( 1.239 -0.565 0.000) 1.362 10.786 ( 8.048 4.908 0.000) 9.426 10.945 ( -2.284 0.793 0.000) 2.417 10.973 ( -11.379 11.048 0.000) 15.860 11.044 ( -3.086 -2.354 0.000) 3.882 11.171 ( -12.116 9.852 0.000) 15.616 11.350 ( -1.052 0.714 0.000) 1.272 11.539 ( -5.714 -1.726 0.000) 5.969 11.801 ( -5.552 -9.127 0.000) 10.683 12.167 ( 3.015 -1.330 0.000) 3.296 12.190 ( -1.239 -1.887 0.000) 2.258 12.567 ( -8.186 -5.777 0.000) 10.020 12.720 ( -1.308 -0.668 0.000) 1.469 13.062 ( -14.383 1.416 0.000) 14.453 13.188 ( 0.115 0.756 0.000) 0.764 13.190 ( -3.228 7.412 0.000) 8.084 13.589 ( 12.614 -6.016 0.000) 13.975 13.825 ( 0.138 1.405 0.000) 1.412 14.051 ( 11.720 -10.500 0.000) 15.735 14.331 ( 26.861 -14.082 0.000) 30.328 14.420 ( 4.537 -0.057 0.000) 4.538 14.849 ( -2.367 -2.616 0.000) 3.528 14.875 ( 8.429 -8.024 0.000) 11.637 15.258 ( -1.396 0.291 0.000) 1.426 15.280 ( 10.106 0.557 0.000) 10.121 15.342 ( -2.290 1.791 0.000) 2.907 15.421 ( 4.170 0.842 0.000) 4.254 15.426 ( -2.245 -5.490 0.000) 5.931 15.908 ( 2.068 6.484 0.000) 6.806 16.269 ( 0.131 -3.458 0.000) 3.460 16.571 ( -3.309 2.260 0.000) 4.007 16.671 ( -15.113 20.423 0.000) 25.407 17.241 ( -7.664 -0.584 0.000) 7.686 17.374 ( -27.478 18.232 0.000) 32.976 17.632 ( -0.453 1.245 0.000) 1.325 17.891 ( 7.621 0.498 0.000) 7.637 17.970 ( -2.807 2.858 0.000) 4.006 18.036 ( 0.883 5.092 0.000) 5.168 18.679 ( -1.895 -3.783 0.000) 4.231 18.809 ( 9.297 -0.909 0.000) 9.341 20.070 ( 15.727 -12.198 0.000) 19.904 20.159 ( 7.390 -3.233 0.000) 8.066 20.974 ( 2.884 -8.438 0.000) 8.918 21.150 ( 1.621 -4.693 0.000) 4.965 21.265 ( 1.924 1.217 0.000) 2.277 21.709 ( -3.565 -0.270 0.000) 3.575 21.930 ( -10.907 10.666 0.000) 15.255 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 22.285 38.149 0.000) 44.181 1.854 ( 37.767 15.606 0.000) 40.864 2.977 ( 65.752 15.957 0.000) 67.660 3.884 ( 0.818 3.147 0.000) 3.252 3.917 ( 0.829 1.847 0.000) 2.024 4.025 ( -10.214 7.479 0.000) 12.659 4.244 ( -4.580 -3.005 0.000) 5.478 4.340 ( -6.562 3.156 0.000) 7.281 4.473 ( 11.847 5.765 0.000) 13.176 4.512 ( 3.243 3.841 0.000) 5.026 4.737 ( -7.568 0.239 0.000) 7.572 5.258 ( 3.730 -3.536 0.000) 5.140 5.298 ( 5.615 3.536 0.000) 6.636 5.380 ( -5.996 -4.578 0.000) 7.543 5.500 ( -0.597 -4.098 0.000) 4.141 5.563 ( 8.821 1.913 0.000) 9.026 5.765 ( 4.927 -1.990 0.000) 5.314 5.838 ( 11.605 -7.985 0.000) 14.087 6.169 ( 10.173 -9.964 0.000) 14.240 6.327 ( 3.307 6.961 0.000) 7.706 6.403 ( 7.801 2.814 0.000) 8.293 6.740 ( 11.448 -1.947 0.000) 11.613 7.168 ( 1.366 3.661 0.000) 3.907 7.484 ( -0.971 -0.840 0.000) 1.284 7.729 ( 3.765 2.667 0.000) 4.613 7.812 ( -11.049 -0.262 0.000) 11.052 8.223 ( -9.892 2.792 0.000) 10.278 8.370 ( 0.519 1.596 0.000) 1.678 8.611 ( -2.527 12.487 0.000) 12.741 8.887 ( 1.843 -2.575 0.000) 3.167 9.033 ( 3.210 4.993 0.000) 5.936 9.238 ( -5.833 12.068 0.000) 13.404 9.636 ( 7.045 -2.061 0.000) 7.340 9.803 ( -5.636 0.487 0.000) 5.657 9.931 ( 8.113 1.467 0.000) 8.245 10.011 ( -1.536 8.647 0.000) 8.782 10.253 ( 10.441 -4.587 0.000) 11.404 10.480 ( 13.620 -0.931 0.000) 13.652 10.849 ( -7.609 -5.034 0.000) 9.124 10.930 ( 0.773 1.429 0.000) 1.624 10.959 ( -4.741 16.301 0.000) 16.976 10.969 ( 2.119 2.976 0.000) 3.653 10.978 ( 3.823 3.375 0.000) 5.100 11.328 ( -1.038 0.567 0.000) 1.183 11.453 ( -4.067 -3.063 0.000) 5.091 11.663 ( -8.296 -7.871 0.000) 11.436 12.162 ( -7.874 -5.412 0.000) 9.554 12.164 ( -1.515 -2.692 0.000) 3.089 12.434 ( -1.615 -2.618 0.000) 3.076 12.638 ( -6.051 1.984 0.000) 6.368 12.735 ( -18.262 4.232 0.000) 18.746 13.119 ( -4.513 7.017 0.000) 8.343 13.236 ( 6.142 5.722 0.000) 8.394 13.836 ( 13.101 -8.349 0.000) 15.536 13.837 ( 0.573 1.580 0.000) 1.680 14.249 ( 9.740 -3.483 0.000) 10.344 14.443 ( -1.531 -3.021 0.000) 3.387 14.719 ( 13.845 -8.337 0.000) 16.161 14.825 ( 1.540 -2.927 0.000) 3.307 15.092 ( 12.126 -5.664 0.000) 13.384 15.214 ( -3.425 2.545 0.000) 4.267 15.262 ( -5.582 -3.803 0.000) 6.754 15.393 ( -0.985 2.249 0.000) 2.455 15.420 ( 4.214 7.960 0.000) 9.006 15.614 ( 14.494 -9.998 0.000) 17.608 15.958 ( 3.030 4.621 0.000) 5.526 16.278 ( 1.149 0.388 0.000) 1.213 16.463 ( -5.508 17.762 0.000) 18.597 16.487 ( -5.183 2.215 0.000) 5.637 16.995 ( -15.221 9.828 0.000) 18.118 17.055 ( -11.405 1.899 0.000) 11.562 17.556 ( -8.103 0.096 0.000) 8.103 17.940 ( 0.746 -1.826 0.000) 1.973 18.037 ( 6.705 -0.394 0.000) 6.717 18.078 ( 3.446 4.939 0.000) 6.022 18.623 ( -4.004 -3.900 0.000) 5.589 19.049 ( 15.391 0.787 0.000) 15.411 20.197 ( 0.533 -1.682 0.000) 1.764 20.340 ( 11.083 -3.614 0.000) 11.657 20.996 ( -0.677 -14.570 0.000) 14.586 21.162 ( -0.482 -3.546 0.000) 3.579 21.345 ( 6.301 0.491 0.000) 6.320 21.570 ( -9.942 4.317 0.000) 10.839 21.816 ( -2.506 5.466 0.000) 6.013 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 25.660 29.284 0.000) 38.936 2.564 ( 36.401 8.681 0.000) 37.422 3.610 ( -23.586 8.513 0.000) 25.075 3.908 ( 1.331 2.762 0.000) 3.066 4.022 ( 1.858 2.847 0.000) 3.400 4.075 ( -9.705 2.983 0.000) 10.153 4.157 ( 53.167 8.686 0.000) 53.872 4.305 ( 1.190 7.259 0.000) 7.356 4.516 ( 3.279 2.176 0.000) 3.935 4.600 ( -6.219 -0.983 0.000) 6.297 4.681 ( -0.526 4.826 0.000) 4.855 5.190 ( -0.311 -0.168 0.000) 0.354 5.310 ( 1.626 -2.125 0.000) 2.675 5.483 ( 7.207 -2.297 0.000) 7.564 5.485 ( -1.127 -3.331 0.000) 3.517 5.715 ( 6.677 -0.873 0.000) 6.734 5.824 ( 0.954 -1.534 0.000) 1.807 6.209 ( 24.076 -5.755 0.000) 24.754 6.353 ( 7.715 -6.196 0.000) 9.895 6.418 ( 5.936 6.038 0.000) 8.468 6.542 ( 5.792 4.086 0.000) 7.088 6.979 ( 13.568 -3.300 0.000) 13.964 7.040 ( -14.464 -0.760 0.000) 14.484 7.497 ( 0.533 -4.006 0.000) 4.041 7.604 ( -10.162 0.104 0.000) 10.162 7.814 ( 3.492 -2.586 0.000) 4.345 7.986 ( -12.298 6.711 0.000) 14.010 8.338 ( -3.954 0.449 0.000) 3.979 8.595 ( 1.284 12.204 0.000) 12.271 8.894 ( -2.185 -0.044 0.000) 2.185 9.091 ( 2.858 4.360 0.000) 5.213 9.144 ( -2.927 10.546 0.000) 10.945 9.725 ( 2.266 -4.588 0.000) 5.117 9.731 ( -1.986 -2.998 0.000) 3.596 10.018 ( 2.776 10.331 0.000) 10.698 10.068 ( 6.822 1.585 0.000) 7.004 10.386 ( 6.493 -0.076 0.000) 6.493 10.600 ( -9.605 0.201 0.000) 9.607 10.661 ( -11.579 -7.209 0.000) 13.640 10.862 ( -7.599 3.648 0.000) 8.429 10.929 ( 14.314 2.945 0.000) 14.614 11.156 ( 8.075 3.969 0.000) 8.997 11.191 ( 16.443 6.400 0.000) 17.645 11.326 ( 1.257 -0.790 0.000) 1.485 11.397 ( -0.775 -1.216 0.000) 1.442 11.521 ( -5.952 -5.314 0.000) 7.979 11.910 ( -15.460 -4.032 0.000) 15.977 12.122 ( -3.871 -4.389 0.000) 5.852 12.410 ( -5.036 -3.079 0.000) 5.903 12.414 ( -14.470 7.423 0.000) 16.263 12.603 ( 4.586 3.415 0.000) 5.717 13.017 ( -6.275 4.958 0.000) 7.997 13.391 ( 9.452 7.541 0.000) 12.092 13.822 ( -2.650 3.675 0.000) 4.530 14.079 ( 11.967 -10.591 0.000) 15.981 14.392 ( -3.324 -5.021 0.000) 6.021 14.411 ( 7.936 3.064 0.000) 8.507 14.856 ( 5.927 -1.833 0.000) 6.204 14.980 ( 10.069 -5.228 0.000) 11.345 15.075 ( -9.919 1.930 0.000) 10.105 15.176 ( -3.318 -2.558 0.000) 4.190 15.262 ( 2.215 -4.383 0.000) 4.911 15.414 ( 4.408 5.418 0.000) 6.985 15.485 ( 2.847 5.738 0.000) 6.406 15.844 ( 8.283 0.017 0.000) 8.283 16.008 ( 1.617 4.313 0.000) 4.607 16.331 ( 4.546 1.650 0.000) 4.836 16.399 ( -3.180 1.507 0.000) 3.519 16.465 ( 5.098 4.484 0.000) 6.790 16.760 ( -9.253 7.092 0.000) 11.658 16.827 ( -12.302 3.186 0.000) 12.708 17.345 ( -13.500 -0.193 0.000) 13.501 17.990 ( 3.872 -3.484 0.000) 5.209 18.124 ( 2.344 -0.827 0.000) 2.485 18.163 ( 5.427 2.386 0.000) 5.929 18.529 ( -5.781 -3.889 0.000) 6.967 19.368 ( 17.739 1.836 0.000) 17.834 20.142 ( -5.979 2.002 0.000) 6.305 20.556 ( 11.303 -4.464 0.000) 12.153 20.957 ( -3.103 -13.267 0.000) 13.625 21.145 ( -0.913 -2.017 0.000) 2.214 21.378 ( -9.803 4.536 0.000) 10.801 21.481 ( 7.572 -0.070 0.000) 7.572 21.777 ( -2.286 2.174 0.000) 3.155 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 27.114 20.976 0.000) 34.281 3.063 ( -13.437 13.464 0.000) 19.022 3.276 ( 18.015 4.728 0.000) 18.625 3.742 ( -20.757 1.550 0.000) 20.815 3.985 ( 2.322 5.349 0.000) 5.832 4.027 ( -1.294 3.953 0.000) 4.160 4.357 ( 4.511 8.892 0.000) 9.971 4.468 ( -2.826 -0.004 0.000) 2.826 4.519 ( -2.312 -2.216 0.000) 3.202 4.524 ( -6.503 6.677 0.000) 9.321 5.103 ( 30.152 2.183 0.000) 30.231 5.294 ( 7.701 1.628 0.000) 7.871 5.312 ( -1.847 -2.399 0.000) 3.028 5.441 ( -4.460 -0.757 0.000) 4.524 5.636 ( 9.949 -3.294 0.000) 10.480 5.790 ( -4.776 -1.281 0.000) 4.945 5.891 ( 15.501 -0.612 0.000) 15.513 6.321 ( -18.761 0.104 0.000) 18.761 6.501 ( 4.483 0.831 0.000) 4.559 6.553 ( -2.629 0.491 0.000) 2.674 6.641 ( 16.085 2.507 0.000) 16.279 6.801 ( -5.038 3.566 0.000) 6.172 7.238 ( 13.075 -4.343 0.000) 13.777 7.439 ( -7.220 -5.998 0.000) 9.386 7.478 ( -0.997 -3.678 0.000) 3.811 7.624 ( -14.638 -7.471 0.000) 16.435 8.036 ( 9.909 6.140 0.000) 11.657 8.219 ( -8.492 1.407 0.000) 8.608 8.667 ( 6.001 9.988 0.000) 11.653 8.797 ( -7.023 6.437 0.000) 9.527 9.132 ( 1.149 4.416 0.000) 4.563 9.133 ( 0.636 5.438 0.000) 5.475 9.718 ( 0.322 -5.181 0.000) 5.191 9.733 ( -0.833 -5.410 0.000) 5.474 10.126 ( 8.335 9.055 0.000) 12.307 10.202 ( 6.296 0.502 0.000) 6.316 10.375 ( -10.014 1.443 0.000) 10.118 10.438 ( -11.086 -6.512 0.000) 12.857 10.525 ( 8.123 3.213 0.000) 8.735 10.694 ( -9.496 3.888 0.000) 10.262 11.184 ( 9.331 3.650 0.000) 10.020 11.251 ( 1.336 3.551 0.000) 3.794 11.344 ( 1.709 -5.183 0.000) 5.457 11.371 ( 1.283 -4.741 0.000) 4.912 11.467 ( 2.250 -0.567 0.000) 2.320 11.578 ( 10.271 3.036 0.000) 10.710 11.653 ( -4.061 0.234 0.000) 4.068 11.941 ( -15.439 0.135 0.000) 15.440 12.263 ( -1.340 3.306 0.000) 3.567 12.304 ( -4.708 -0.564 0.000) 4.742 12.734 ( 7.909 2.009 0.000) 8.160 12.884 ( -7.647 2.969 0.000) 8.203 13.573 ( 9.352 7.752 0.000) 12.147 13.731 ( -6.917 6.202 0.000) 9.290 14.249 ( 5.681 -10.647 0.000) 12.068 14.327 ( -3.454 -7.330 0.000) 8.103 14.599 ( 12.508 5.527 0.000) 13.675 14.852 ( -13.232 3.182 0.000) 13.609 14.989 ( 7.282 -1.028 0.000) 7.355 15.105 ( -4.711 -1.247 0.000) 4.873 15.138 ( 6.552 -3.639 0.000) 7.495 15.232 ( -3.629 -2.109 0.000) 4.197 15.502 ( 3.125 3.507 0.000) 4.697 15.522 ( 0.755 4.005 0.000) 4.076 15.943 ( 3.551 6.937 0.000) 7.794 16.001 ( -2.254 6.266 0.000) 6.659 16.398 ( 3.152 0.014 0.000) 3.152 16.436 ( 6.108 1.738 0.000) 6.351 16.499 ( -4.122 -0.826 0.000) 4.204 16.608 ( -10.339 3.298 0.000) 10.852 16.777 ( 12.565 3.532 0.000) 13.052 17.064 ( -15.789 0.086 0.000) 15.789 18.068 ( 4.013 -2.850 0.000) 4.922 18.127 ( -1.822 -1.598 0.000) 2.424 18.279 ( 6.684 -0.661 0.000) 6.716 18.409 ( -6.798 -2.959 0.000) 7.414 19.697 ( 16.508 2.230 0.000) 16.658 19.971 ( -11.995 2.392 0.000) 12.231 20.751 ( 8.921 -6.424 0.000) 10.993 20.883 ( -5.043 -9.966 0.000) 11.169 21.144 ( 1.405 -0.075 0.000) 1.407 21.218 ( -6.544 2.711 0.000) 7.083 21.616 ( 6.405 0.101 0.000) 6.405 21.717 ( -4.217 0.791 0.000) 4.290 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 31.039 0.000) 31.039 1.636 ( 0.000 40.645 0.000) 40.645 2.704 ( 0.000 65.031 0.000) 65.031 3.750 ( 0.000 -13.431 0.000) 13.431 3.879 ( 0.000 6.809 0.000) 6.809 3.984 ( 0.000 5.074 0.000) 5.074 4.307 ( 0.000 5.291 0.000) 5.291 4.375 ( 0.000 -0.890 0.000) 0.890 4.630 ( 0.000 -2.562 0.000) 2.562 4.807 ( 0.000 10.674 0.000) 10.674 4.896 ( 0.000 -2.186 0.000) 2.186 4.905 ( 0.000 -15.887 0.000) 15.887 4.964 ( 0.000 0.677 0.000) 0.677 5.200 ( 0.000 1.331 0.000) 1.331 5.424 ( 0.000 -8.799 0.000) 8.799 5.484 ( 0.000 -1.598 0.000) 1.598 5.694 ( 0.000 -3.089 0.000) 3.089 5.846 ( 0.000 -4.931 0.000) 4.931 6.030 ( 0.000 -11.846 0.000) 11.846 6.055 ( 0.000 10.074 0.000) 10.074 6.295 ( 0.000 5.149 0.000) 5.149 6.727 ( 0.000 7.561 0.000) 7.561 7.103 ( 0.000 0.841 0.000) 0.841 7.665 ( 0.000 6.438 0.000) 6.438 7.762 ( 0.000 10.979 0.000) 10.979 7.862 ( 0.000 -16.737 0.000) 16.737 8.447 ( 0.000 15.438 0.000) 15.438 8.494 ( 0.000 6.443 0.000) 6.443 8.807 ( 0.000 -1.747 0.000) 1.747 8.933 ( 0.000 13.615 0.000) 13.615 9.099 ( 0.000 8.115 0.000) 8.115 9.344 ( 0.000 4.452 0.000) 4.452 9.395 ( 0.000 3.194 0.000) 3.194 9.864 ( 0.000 21.390 0.000) 21.390 9.910 ( 0.000 2.691 0.000) 2.691 10.085 ( 0.000 7.922 0.000) 7.922 10.196 ( 0.000 5.439 0.000) 5.439 10.314 ( 0.000 -4.109 0.000) 4.109 10.847 ( 0.000 8.730 0.000) 8.730 10.950 ( 0.000 -10.767 0.000) 10.767 10.970 ( 0.000 -6.671 0.000) 6.671 11.048 ( 0.000 5.905 0.000) 5.905 11.379 ( 0.000 1.078 0.000) 1.078 11.388 ( 0.000 -0.931 0.000) 0.931 11.628 ( 0.000 -13.359 0.000) 13.359 11.628 ( 0.000 -6.850 0.000) 6.850 12.149 ( 0.000 -3.935 0.000) 3.935 12.256 ( 0.000 8.218 0.000) 8.218 12.486 ( 0.000 -8.799 0.000) 8.799 12.617 ( 0.000 -4.192 0.000) 4.192 13.082 ( 0.000 0.765 0.000) 0.765 13.196 ( 0.000 -2.924 0.000) 2.924 13.402 ( 0.000 12.910 0.000) 12.910 13.569 ( 0.000 4.698 0.000) 4.698 13.683 ( 0.000 -8.468 0.000) 8.468 13.901 ( 0.000 3.768 0.000) 3.768 13.958 ( 0.000 -2.357 0.000) 2.357 14.347 ( 0.000 -1.144 0.000) 1.144 14.593 ( 0.000 -11.560 0.000) 11.560 14.793 ( 0.000 -5.524 0.000) 5.524 15.224 ( 0.000 -9.021 0.000) 9.021 15.242 ( 0.000 6.105 0.000) 6.105 15.293 ( 0.000 -0.843 0.000) 0.843 15.470 ( 0.000 6.537 0.000) 6.537 15.494 ( 0.000 4.730 0.000) 4.730 16.055 ( 0.000 8.912 0.000) 8.912 16.156 ( 0.000 -6.924 0.000) 6.924 16.661 ( 0.000 3.524 0.000) 3.524 17.061 ( 0.000 12.090 0.000) 12.090 17.249 ( 0.000 -4.432 0.000) 4.432 17.658 ( 0.000 0.201 0.000) 0.201 17.789 ( 0.000 0.296 0.000) 0.296 17.906 ( 0.000 -1.330 0.000) 1.330 18.080 ( 0.000 2.727 0.000) 2.727 18.254 ( 0.000 17.758 0.000) 17.758 18.585 ( 0.000 -6.993 0.000) 6.993 18.665 ( 0.000 -3.493 0.000) 3.493 19.748 ( 0.000 3.094 0.000) 3.094 19.986 ( 0.000 -7.337 0.000) 7.337 20.987 ( 0.000 3.271 0.000) 3.271 21.036 ( 0.000 -4.889 0.000) 4.889 21.254 ( 0.000 -0.532 0.000) 0.532 21.719 ( 0.000 -0.825 0.000) 0.825 22.140 ( 0.000 1.944 0.000) 1.944 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 39.178 22.720 0.000) 45.289 1.812 ( 17.631 34.919 0.000) 39.117 2.864 ( 18.828 59.485 0.000) 62.394 3.878 ( 11.398 -11.313 0.000) 16.059 3.920 ( 3.719 6.153 0.000) 7.189 3.971 ( -0.260 1.939 0.000) 1.956 4.278 ( -2.808 5.114 0.000) 5.834 4.436 ( 5.158 2.955 0.000) 5.945 4.536 ( -8.497 -1.315 0.000) 8.598 4.772 ( -2.682 12.147 0.000) 12.439 4.842 ( -4.685 -3.529 0.000) 5.866 5.006 ( 8.618 -10.211 0.000) 13.362 5.040 ( 8.661 -2.130 0.000) 8.919 5.313 ( 9.846 1.609 0.000) 9.977 5.410 ( -0.545 -5.845 0.000) 5.870 5.568 ( 7.177 -4.641 0.000) 8.547 5.619 ( -6.253 -4.371 0.000) 7.629 5.815 ( -11.896 3.276 0.000) 12.339 5.859 ( 1.855 -6.775 0.000) 7.025 6.246 ( 10.741 -1.485 0.000) 10.844 6.343 ( 4.965 4.849 0.000) 6.940 6.702 ( -1.275 7.329 0.000) 7.439 7.149 ( 3.920 0.059 0.000) 3.920 7.631 ( -2.786 7.921 0.000) 8.396 7.765 ( -0.266 7.878 0.000) 7.883 7.812 ( -5.117 -15.758 0.000) 16.568 8.450 ( -4.569 6.224 0.000) 7.721 8.501 ( 2.940 14.056 0.000) 14.360 8.808 ( 0.192 -2.530 0.000) 2.537 8.929 ( -0.511 14.984 0.000) 14.993 9.109 ( 0.967 6.875 0.000) 6.943 9.434 ( 6.182 5.269 0.000) 8.123 9.477 ( 6.987 -0.585 0.000) 7.011 9.890 ( 5.845 15.763 0.000) 16.812 10.003 ( 7.758 4.053 0.000) 8.753 10.014 ( -6.961 7.267 0.000) 10.063 10.187 ( -0.739 6.347 0.000) 6.390 10.337 ( 3.132 -2.461 0.000) 3.983 10.875 ( -4.736 -4.722 0.000) 6.688 10.909 ( -3.160 -8.537 0.000) 9.103 10.931 ( 4.376 6.218 0.000) 7.604 11.063 ( 0.338 4.687 0.000) 4.700 11.358 ( -3.446 2.506 0.000) 4.261 11.369 ( -1.042 1.074 0.000) 1.496 11.515 ( -9.216 -0.146 0.000) 9.217 11.581 ( -4.685 -12.936 0.000) 13.759 12.136 ( -1.334 -3.728 0.000) 3.959 12.150 ( -5.630 0.056 0.000) 5.630 12.438 ( -4.283 -6.706 0.000) 7.957 12.698 ( 2.627 -1.085 0.000) 2.842 13.073 ( -11.383 -0.133 0.000) 11.383 13.202 ( 8.868 0.519 0.000) 8.884 13.386 ( -2.994 11.927 0.000) 12.297 13.490 ( 0.917 -4.580 0.000) 4.671 13.869 ( -0.700 3.139 0.000) 3.217 13.911 ( 15.419 -4.304 0.000) 16.008 14.175 ( 20.277 -4.532 0.000) 20.777 14.395 ( 0.737 -3.004 0.000) 3.093 14.694 ( 11.548 -10.015 0.000) 15.285 14.770 ( -1.924 -5.314 0.000) 5.651 15.205 ( -2.092 -8.512 0.000) 8.765 15.292 ( -0.323 0.452 0.000) 0.555 15.324 ( 8.505 5.030 0.000) 9.881 15.476 ( 0.719 6.991 0.000) 7.028 15.507 ( 1.342 4.790 0.000) 4.974 16.057 ( 0.379 8.258 0.000) 8.267 16.173 ( 1.872 -6.263 0.000) 6.537 16.630 ( -3.236 3.572 0.000) 4.820 16.965 ( -8.909 13.542 0.000) 16.210 17.207 ( -4.461 -2.842 0.000) 5.290 17.603 ( -21.354 6.469 0.000) 22.312 17.639 ( -2.306 -0.634 0.000) 2.391 17.901 ( 6.032 0.433 0.000) 6.047 18.016 ( -5.853 2.333 0.000) 6.301 18.215 ( -2.656 11.807 0.000) 12.102 18.574 ( -1.717 -6.868 0.000) 7.079 18.800 ( 12.612 0.862 0.000) 12.641 19.924 ( 13.930 -3.452 0.000) 14.352 20.060 ( 7.301 -7.213 0.000) 10.263 20.937 ( -4.910 1.614 0.000) 5.168 21.052 ( 1.378 -5.230 0.000) 5.409 21.275 ( 2.427 -0.099 0.000) 2.429 21.691 ( -3.213 -1.180 0.000) 3.423 22.059 ( -7.122 4.374 0.000) 8.358 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 27.148 24.138 0.000) 36.327 2.303 ( 24.937 28.617 0.000) 37.958 3.493 ( 46.000 36.604 0.000) 58.787 3.944 ( 0.099 2.768 0.000) 2.770 3.976 ( 0.229 3.964 0.000) 3.971 4.113 ( 7.287 -9.269 0.000) 11.790 4.175 ( -8.933 6.838 0.000) 11.250 4.407 ( -1.881 2.889 0.000) 3.447 4.559 ( 8.020 4.396 0.000) 9.146 4.721 ( -1.458 14.185 0.000) 14.260 4.732 ( -6.715 -1.221 0.000) 6.825 5.175 ( 7.761 -4.156 0.000) 8.804 5.255 ( 7.044 -4.308 0.000) 8.257 5.405 ( 0.063 -5.195 0.000) 5.196 5.410 ( -1.409 2.805 0.000) 3.139 5.587 ( 4.221 0.830 0.000) 4.302 5.703 ( 5.690 -4.394 0.000) 7.189 5.707 ( 7.309 -4.237 0.000) 8.448 5.952 ( 8.908 -11.708 0.000) 14.712 6.435 ( 8.372 4.124 0.000) 9.333 6.475 ( 8.615 4.863 0.000) 9.892 6.729 ( 5.332 1.228 0.000) 5.472 7.180 ( -2.999 -1.855 0.000) 3.526 7.592 ( -1.009 9.443 0.000) 9.496 7.679 ( -8.684 -13.928 0.000) 16.413 7.741 ( -2.020 1.008 0.000) 2.257 8.324 ( -8.516 6.823 0.000) 10.912 8.508 ( -2.042 12.230 0.000) 12.399 8.819 ( 0.973 -4.135 0.000) 4.248 8.912 ( -1.335 17.112 0.000) 17.165 9.132 ( 1.501 4.720 0.000) 4.953 9.492 ( -1.401 12.378 0.000) 12.457 9.573 ( 3.802 -3.650 0.000) 5.270 9.856 ( -8.657 4.889 0.000) 9.943 10.033 ( 5.557 8.263 0.000) 9.958 10.179 ( 0.167 7.757 0.000) 7.759 10.190 ( 11.280 -1.807 0.000) 11.424 10.489 ( 13.520 1.785 0.000) 13.637 10.711 ( -10.664 -9.015 0.000) 13.964 10.865 ( -1.466 -5.559 0.000) 5.749 11.039 ( -2.733 4.848 0.000) 5.565 11.087 ( 9.315 7.074 0.000) 11.697 11.270 ( -3.436 10.554 0.000) 11.099 11.339 ( -2.150 0.257 0.000) 2.165 11.395 ( -2.676 -0.872 0.000) 2.814 11.473 ( -5.614 -10.766 0.000) 12.142 12.020 ( -9.728 -8.832 0.000) 13.139 12.104 ( -2.022 -3.327 0.000) 3.893 12.387 ( -0.644 -1.672 0.000) 1.792 12.682 ( -2.630 2.442 0.000) 3.589 12.817 ( -14.666 3.605 0.000) 15.102 13.286 ( -6.976 9.507 0.000) 11.792 13.367 ( 9.634 7.123 0.000) 11.982 13.623 ( 10.889 -12.533 0.000) 16.603 13.898 ( 2.728 4.852 0.000) 5.566 14.209 ( 15.481 -0.311 0.000) 15.484 14.355 ( -3.959 -5.884 0.000) 7.092 14.572 ( 18.805 -6.437 0.000) 19.876 14.750 ( 0.859 -4.846 0.000) 4.921 14.951 ( 12.948 -8.627 0.000) 15.558 15.145 ( -4.042 -6.670 0.000) 7.800 15.273 ( -1.751 3.187 0.000) 3.637 15.501 ( 1.891 8.012 0.000) 8.232 15.523 ( 4.827 1.870 0.000) 5.176 15.575 ( 12.948 5.174 0.000) 13.943 16.075 ( 1.603 6.949 0.000) 7.132 16.230 ( 4.168 -4.267 0.000) 5.965 16.545 ( -5.386 3.589 0.000) 6.472 16.775 ( -10.038 14.626 0.000) 17.739 17.082 ( -8.523 0.633 0.000) 8.546 17.205 ( -18.723 10.130 0.000) 21.288 17.547 ( -8.137 -1.311 0.000) 8.242 17.915 ( -3.286 -0.704 0.000) 3.361 18.028 ( 6.022 -0.504 0.000) 6.043 18.186 ( -0.240 5.586 0.000) 5.591 18.516 ( -4.270 -6.983 0.000) 8.185 19.091 ( 17.327 4.270 0.000) 17.846 20.141 ( 7.505 -3.709 0.000) 8.371 20.237 ( 10.639 -7.126 0.000) 12.805 20.826 ( -6.123 -3.420 0.000) 7.013 21.074 ( 0.737 -5.242 0.000) 5.293 21.353 ( 5.817 0.327 0.000) 5.826 21.588 ( -7.715 -0.967 0.000) 7.775 21.928 ( -5.920 5.295 0.000) 7.943 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 19.050 30.842 0.000) 36.251 2.795 ( 29.585 14.733 0.000) 33.050 3.798 ( -17.208 9.590 0.000) 19.700 3.944 ( -1.258 0.346 0.000) 1.305 4.095 ( 0.481 4.506 0.000) 4.531 4.109 ( -2.091 -0.022 0.000) 2.091 4.418 ( 33.247 17.354 0.000) 37.503 4.449 ( 4.328 3.890 0.000) 5.819 4.600 ( 7.889 6.768 0.000) 10.394 4.601 ( -6.334 3.943 0.000) 7.461 4.842 ( 7.098 11.808 0.000) 13.777 5.167 ( -2.577 -0.866 0.000) 2.718 5.264 ( 1.577 -2.458 0.000) 2.920 5.421 ( 1.448 -2.363 0.000) 2.771 5.485 ( 3.065 1.896 0.000) 3.604 5.680 ( 7.306 -2.240 0.000) 7.641 5.770 ( 1.617 -4.172 0.000) 4.474 6.082 ( 25.710 -6.938 0.000) 26.630 6.174 ( 12.802 -12.004 0.000) 17.550 6.556 ( 5.445 7.751 0.000) 9.472 6.643 ( 7.339 5.767 0.000) 9.334 6.911 ( 12.635 -3.343 0.000) 13.069 7.001 ( -14.613 -2.445 0.000) 14.816 7.495 ( -10.272 -12.212 0.000) 15.958 7.539 ( -5.902 7.083 0.000) 9.220 7.678 ( -7.319 -7.719 0.000) 10.637 8.175 ( -4.435 10.134 0.000) 11.062 8.436 ( -5.331 9.637 0.000) 11.014 8.843 ( 1.468 -4.248 0.000) 4.495 8.885 ( -1.181 16.483 0.000) 16.525 9.171 ( 2.730 3.468 0.000) 4.414 9.418 ( -5.364 15.328 0.000) 16.239 9.617 ( 1.009 -5.801 0.000) 5.888 9.718 ( -5.616 1.314 0.000) 5.767 10.093 ( 2.207 0.729 0.000) 2.325 10.201 ( 2.429 7.802 0.000) 8.171 10.389 ( 8.548 -0.045 0.000) 8.548 10.494 ( -11.699 -9.882 0.000) 15.314 10.634 ( -2.855 3.693 0.000) 4.668 10.945 ( -6.954 5.134 0.000) 8.644 10.967 ( 15.243 0.210 0.000) 15.245 11.257 ( 7.692 5.953 0.000) 9.727 11.258 ( -0.271 0.417 0.000) 0.498 11.286 ( -2.946 -4.216 0.000) 5.143 11.413 ( -0.395 -4.141 0.000) 4.160 11.448 ( 9.743 6.462 0.000) 11.691 11.801 ( -12.036 -6.924 0.000) 13.885 12.055 ( -3.314 -2.604 0.000) 4.215 12.355 ( -3.825 -2.179 0.000) 4.402 12.542 ( -13.924 5.296 0.000) 14.897 12.681 ( 3.603 4.394 0.000) 5.682 13.136 ( -8.726 6.857 0.000) 11.098 13.566 ( 10.846 9.146 0.000) 14.188 13.842 ( 11.200 -12.695 0.000) 16.929 13.934 ( 0.357 7.706 0.000) 7.715 14.264 ( -5.497 -7.734 0.000) 9.488 14.472 ( 12.052 3.232 0.000) 12.478 14.806 ( 7.937 -3.287 0.000) 8.591 14.882 ( 11.640 -4.546 0.000) 12.496 15.029 ( -5.887 -5.236 0.000) 7.879 15.145 ( 4.316 -5.935 0.000) 7.338 15.224 ( -3.370 4.747 0.000) 5.822 15.547 ( 2.821 7.824 0.000) 8.317 15.566 ( 1.730 2.786 0.000) 3.279 15.889 ( 16.334 4.089 0.000) 16.838 16.120 ( 3.013 7.053 0.000) 7.670 16.331 ( 6.550 -1.382 0.000) 6.694 16.444 ( -4.570 3.035 0.000) 5.486 16.614 ( -6.602 10.463 0.000) 12.371 16.895 ( -10.865 3.639 0.000) 11.458 16.920 ( -10.769 8.607 0.000) 13.786 17.334 ( -13.598 -1.094 0.000) 13.642 17.911 ( 2.420 -4.539 0.000) 5.144 18.102 ( 1.432 -1.462 0.000) 2.046 18.205 ( 2.064 1.596 0.000) 2.609 18.422 ( -5.281 -7.006 0.000) 8.773 19.433 ( 18.347 5.268 0.000) 19.088 20.185 ( -2.986 1.981 0.000) 3.583 20.438 ( 10.116 -7.520 0.000) 12.605 20.730 ( -3.583 -9.265 0.000) 9.934 21.085 ( 0.784 -4.143 0.000) 4.217 21.415 ( -9.883 -0.156 0.000) 9.884 21.483 ( 7.514 0.336 0.000) 7.521 21.833 ( -4.566 3.335 0.000) 5.655 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 19.418 25.395 0.000) 31.968 3.327 ( 22.238 10.361 0.000) 24.534 3.448 ( -15.256 14.533 0.000) 21.070 3.773 ( -17.477 1.563 0.000) 17.547 4.092 ( 1.498 4.505 0.000) 4.748 4.110 ( 0.236 3.908 0.000) 3.915 4.456 ( -2.484 0.226 0.000) 2.494 4.463 ( -2.875 -2.675 0.000) 3.927 4.594 ( 6.182 14.294 0.000) 15.573 4.740 ( -8.246 13.837 0.000) 16.108 5.130 ( 12.939 0.337 0.000) 12.944 5.252 ( -2.695 -3.594 0.000) 4.492 5.369 ( 12.347 6.412 0.000) 13.913 5.439 ( -0.024 1.117 0.000) 1.117 5.598 ( 13.119 0.074 0.000) 13.119 5.758 ( -3.297 -2.036 0.000) 3.875 5.875 ( 18.000 -0.434 0.000) 18.005 6.314 ( -8.641 -1.908 0.000) 8.849 6.466 ( 8.195 -4.825 0.000) 9.510 6.527 ( -11.503 -2.966 0.000) 11.879 6.729 ( 15.746 5.584 0.000) 16.707 6.886 ( 2.030 4.544 0.000) 4.977 7.160 ( 12.707 -2.774 0.000) 13.006 7.322 ( -5.938 -12.100 0.000) 13.479 7.375 ( -11.480 -1.024 0.000) 11.526 7.425 ( -14.817 -9.770 0.000) 17.748 8.199 ( 5.242 9.568 0.000) 10.910 8.319 ( -6.685 8.428 0.000) 10.757 8.866 ( 0.767 0.597 0.000) 0.972 8.873 ( -0.209 9.993 0.000) 9.995 9.234 ( 3.878 5.563 0.000) 6.781 9.317 ( -4.931 11.747 0.000) 12.740 9.625 ( 0.230 -4.674 0.000) 4.679 9.645 ( -2.268 -1.723 0.000) 2.849 10.155 ( 4.952 -4.044 0.000) 6.394 10.279 ( 5.477 5.550 0.000) 7.797 10.291 ( -8.950 -8.431 0.000) 12.296 10.408 ( -6.485 -0.087 0.000) 6.486 10.643 ( 6.595 9.012 0.000) 11.167 10.794 ( -8.470 6.568 0.000) 10.718 11.228 ( 3.910 -5.457 0.000) 6.713 11.244 ( -1.155 -5.542 0.000) 5.661 11.268 ( 7.271 3.890 0.000) 8.246 11.359 ( 1.594 4.800 0.000) 5.057 11.439 ( 3.302 -1.923 0.000) 3.821 11.562 ( -7.769 -3.705 0.000) 8.607 11.736 ( 13.102 7.042 0.000) 14.875 11.958 ( -8.072 1.757 0.000) 8.261 12.278 ( -2.555 -2.098 0.000) 3.306 12.321 ( -7.958 2.002 0.000) 8.206 12.797 ( 7.930 4.380 0.000) 9.060 12.963 ( -9.248 5.052 0.000) 10.538 13.760 ( 9.230 10.544 0.000) 14.013 13.895 ( -4.631 10.285 0.000) 11.280 14.021 ( 7.706 -12.153 0.000) 14.390 14.151 ( -6.345 -10.340 0.000) 12.131 14.685 ( 11.007 3.058 0.000) 11.424 14.882 ( -9.369 -0.578 0.000) 9.386 14.980 ( 9.405 0.302 0.000) 9.410 15.064 ( 7.481 -3.575 0.000) 8.292 15.128 ( -5.759 2.780 0.000) 6.395 15.166 ( -3.182 -3.309 0.000) 4.591 15.590 ( 1.322 5.039 0.000) 5.209 15.592 ( 0.895 3.094 0.000) 3.221 16.114 ( 6.544 9.465 0.000) 11.507 16.163 ( 0.505 10.098 0.000) 10.111 16.410 ( 1.781 1.317 0.000) 2.215 16.462 ( 3.476 1.103 0.000) 3.647 16.526 ( 0.162 4.062 0.000) 4.066 16.686 ( -10.825 4.637 0.000) 11.776 16.854 ( 5.168 4.198 0.000) 6.658 17.062 ( -14.271 -0.397 0.000) 14.277 17.987 ( 5.072 -5.553 0.000) 7.520 18.077 ( -3.723 -3.690 0.000) 5.242 18.257 ( 3.352 -1.640 0.000) 3.731 18.329 ( -4.331 -4.974 0.000) 6.595 19.768 ( 16.527 5.162 0.000) 17.314 20.040 ( -11.683 4.624 0.000) 12.564 20.599 ( 6.421 -8.832 0.000) 10.919 20.680 ( -2.614 -10.426 0.000) 10.749 21.123 ( 3.794 -2.271 0.000) 4.422 21.238 ( -8.215 -0.568 0.000) 8.235 21.623 ( 6.965 0.662 0.000) 6.996 21.741 ( -5.461 1.618 0.000) 5.696 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.000 30.815 0.000) 30.815 2.380 ( 0.000 36.037 0.000) 36.037 3.412 ( 0.000 -21.427 0.000) 21.427 3.835 ( 0.000 46.344 0.000) 46.344 4.030 ( 0.000 8.480 0.000) 8.480 4.088 ( 0.000 10.469 0.000) 10.469 4.344 ( 0.000 -4.012 0.000) 4.012 4.352 ( 0.000 -1.224 0.000) 1.224 4.571 ( 0.000 -15.467 0.000) 15.467 4.586 ( 0.000 -1.820 0.000) 1.820 4.814 ( 0.000 -6.495 0.000) 6.495 4.993 ( 0.000 7.836 0.000) 7.836 5.028 ( 0.000 5.478 0.000) 5.478 5.218 ( 0.000 0.546 0.000) 0.546 5.276 ( 0.000 -5.707 0.000) 5.707 5.483 ( 0.000 1.577 0.000) 1.577 5.650 ( 0.000 -1.255 0.000) 1.255 5.750 ( 0.000 -5.285 0.000) 5.285 5.799 ( 0.000 -11.530 0.000) 11.530 6.247 ( 0.000 7.886 0.000) 7.886 6.427 ( 0.000 8.157 0.000) 8.157 6.841 ( 0.000 3.871 0.000) 3.871 7.065 ( 0.000 -4.029 0.000) 4.029 7.500 ( 0.000 -19.396 0.000) 19.396 7.789 ( 0.000 5.867 0.000) 5.867 8.008 ( 0.000 12.864 0.000) 12.864 8.606 ( 0.000 4.807 0.000) 4.807 8.722 ( 0.000 11.866 0.000) 11.866 8.791 ( 0.000 0.329 0.000) 0.329 9.195 ( 0.000 12.660 0.000) 12.660 9.218 ( 0.000 4.205 0.000) 4.205 9.453 ( 0.000 2.924 0.000) 2.924 9.456 ( 0.000 6.596 0.000) 6.596 9.986 ( 0.000 4.742 0.000) 4.742 10.217 ( 0.000 -4.846 0.000) 4.846 10.266 ( 0.000 4.154 0.000) 4.154 10.284 ( 0.000 9.181 0.000) 9.181 10.285 ( 0.000 20.880 0.000) 20.880 10.724 ( 0.000 -12.479 0.000) 12.479 10.802 ( 0.000 -8.380 0.000) 8.380 11.046 ( 0.000 9.346 0.000) 9.346 11.175 ( 0.000 6.456 0.000) 6.456 11.354 ( 0.000 -2.111 0.000) 2.111 11.372 ( 0.000 -12.256 0.000) 12.256 11.399 ( 0.000 0.925 0.000) 0.925 11.470 ( 0.000 -8.989 0.000) 8.989 12.059 ( 0.000 -5.015 0.000) 5.015 12.300 ( 0.000 -9.768 0.000) 9.768 12.474 ( 0.000 13.982 0.000) 13.982 12.547 ( 0.000 -2.887 0.000) 2.887 13.089 ( 0.000 0.083 0.000) 0.083 13.145 ( 0.000 -2.400 0.000) 2.400 13.442 ( 0.000 -15.166 0.000) 15.166 13.660 ( 0.000 13.397 0.000) 13.397 13.671 ( 0.000 5.519 0.000) 5.519 13.960 ( 0.000 1.403 0.000) 1.403 13.969 ( 0.000 3.185 0.000) 3.185 14.275 ( 0.000 -6.405 0.000) 6.405 14.386 ( 0.000 -9.319 0.000) 9.319 14.676 ( 0.000 -6.215 0.000) 6.215 15.062 ( 0.000 -6.181 0.000) 6.181 15.307 ( 0.000 0.995 0.000) 0.995 15.386 ( 0.000 8.203 0.000) 8.203 15.567 ( 0.000 3.100 0.000) 3.100 15.607 ( 0.000 7.025 0.000) 7.025 16.007 ( 0.000 -8.460 0.000) 8.460 16.208 ( 0.000 6.622 0.000) 6.622 16.728 ( 0.000 3.132 0.000) 3.132 17.161 ( 0.000 -4.294 0.000) 4.294 17.304 ( 0.000 12.429 0.000) 12.429 17.648 ( 0.000 -0.919 0.000) 0.919 17.798 ( 0.000 0.570 0.000) 0.570 17.878 ( 0.000 -1.494 0.000) 1.494 18.142 ( 0.000 3.550 0.000) 3.550 18.435 ( 0.000 -8.121 0.000) 8.121 18.589 ( 0.000 -4.130 0.000) 4.130 18.639 ( 0.000 21.473 0.000) 21.473 19.792 ( 0.000 -12.962 0.000) 12.962 19.806 ( 0.000 2.685 0.000) 2.685 20.955 ( 0.000 -3.222 0.000) 3.222 21.047 ( 0.000 2.658 0.000) 2.658 21.235 ( 0.000 -1.213 0.000) 1.213 21.705 ( 0.000 -0.611 0.000) 0.611 22.176 ( 0.000 1.627 0.000) 1.627 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 31.876 24.924 0.000) 40.463 2.475 ( 9.870 32.945 0.000) 34.391 3.549 ( 13.110 -18.509 0.000) 22.681 3.918 ( 7.676 32.295 0.000) 33.195 4.054 ( 1.725 7.165 0.000) 7.370 4.070 ( 0.974 19.599 0.000) 19.623 4.325 ( -1.828 -1.285 0.000) 2.235 4.446 ( -5.519 -9.044 0.000) 10.595 4.480 ( 11.014 1.375 0.000) 11.099 4.705 ( 2.016 -6.527 0.000) 6.831 4.866 ( 9.034 -5.665 0.000) 10.663 4.974 ( -0.212 7.594 0.000) 7.597 5.054 ( 3.411 4.351 0.000) 5.528 5.308 ( 2.300 -4.289 0.000) 4.867 5.328 ( 8.479 -0.043 0.000) 8.479 5.512 ( 3.444 -0.589 0.000) 3.493 5.542 ( -6.568 -3.719 0.000) 7.548 5.740 ( -0.822 -5.880 0.000) 5.937 5.816 ( -2.337 -2.068 0.000) 3.120 6.290 ( 6.366 4.115 0.000) 7.580 6.469 ( 4.445 7.798 0.000) 8.976 6.813 ( -2.505 3.793 0.000) 4.545 7.100 ( 2.927 -4.344 0.000) 5.238 7.453 ( -4.861 -19.806 0.000) 20.394 7.760 ( -2.918 5.201 0.000) 5.964 7.977 ( -3.347 12.148 0.000) 12.601 8.564 ( -4.357 5.076 0.000) 6.690 8.771 ( 1.176 8.450 0.000) 8.531 8.773 ( 0.112 3.117 0.000) 3.119 9.201 ( 0.279 10.412 0.000) 10.415 9.218 ( 0.289 6.437 0.000) 6.444 9.484 ( 2.508 1.293 0.000) 2.822 9.539 ( 8.085 5.451 0.000) 9.751 10.034 ( 4.933 2.824 0.000) 5.684 10.189 ( -0.793 3.833 0.000) 3.914 10.191 ( -8.704 10.261 0.000) 13.455 10.273 ( 0.207 2.405 0.000) 2.413 10.375 ( 7.806 12.816 0.000) 15.006 10.712 ( -0.737 -11.479 0.000) 11.503 10.719 ( -8.190 -8.942 0.000) 12.126 11.097 ( 5.233 8.736 0.000) 10.183 11.179 ( -0.095 6.376 0.000) 6.376 11.326 ( -2.127 -3.434 0.000) 4.040 11.333 ( -3.868 -11.889 0.000) 12.502 11.388 ( -1.060 0.643 0.000) 1.240 11.481 ( 0.262 -4.135 0.000) 4.143 12.055 ( -0.462 -4.322 0.000) 4.346 12.132 ( -15.720 -3.966 0.000) 16.213 12.375 ( -0.274 1.648 0.000) 1.671 12.704 ( 5.366 2.635 0.000) 5.978 13.060 ( -8.199 -1.013 0.000) 8.262 13.202 ( 10.975 -0.761 0.000) 11.001 13.365 ( -2.784 -8.807 0.000) 9.237 13.614 ( -6.007 10.843 0.000) 12.396 13.878 ( 17.008 0.852 0.000) 17.030 13.941 ( 1.184 4.204 0.000) 4.368 14.133 ( 16.219 -0.344 0.000) 16.223 14.307 ( -1.893 -5.338 0.000) 5.664 14.505 ( 13.673 -9.360 0.000) 16.570 14.656 ( -1.621 -6.107 0.000) 6.319 15.058 ( -0.593 -5.678 0.000) 5.709 15.316 ( 0.858 1.360 0.000) 1.608 15.457 ( 7.280 8.173 0.000) 10.945 15.580 ( 1.256 2.914 0.000) 3.173 15.624 ( 1.683 7.512 0.000) 7.699 16.032 ( 2.855 -8.285 0.000) 8.763 16.203 ( -0.337 6.463 0.000) 6.472 16.697 ( -3.182 3.140 0.000) 4.471 17.143 ( -1.945 -3.317 0.000) 3.845 17.219 ( -7.941 12.414 0.000) 14.736 17.616 ( -3.517 -1.466 0.000) 3.811 17.674 ( -14.549 1.723 0.000) 14.651 17.909 ( 5.641 0.475 0.000) 5.661 18.066 ( -7.217 2.787 0.000) 7.736 18.395 ( -9.261 4.878 0.000) 10.467 18.426 ( -1.595 -8.060 0.000) 8.217 18.903 ( 16.550 11.206 0.000) 19.987 19.874 ( 8.018 -12.217 0.000) 14.613 19.898 ( 8.617 0.025 0.000) 8.617 20.963 ( 0.663 -3.739 0.000) 3.797 20.983 ( -6.484 2.517 0.000) 6.955 21.265 ( 3.222 -0.734 0.000) 3.304 21.669 ( -3.802 -0.974 0.000) 3.924 22.123 ( -5.061 2.464 0.000) 5.629 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 17.272 25.416 0.000) 30.729 2.760 ( 29.818 20.797 0.000) 36.354 3.834 ( 14.825 -13.442 0.000) 20.012 3.965 ( -0.723 1.504 0.000) 1.668 4.055 ( -2.380 3.650 0.000) 4.357 4.260 ( -5.445 1.696 0.000) 5.703 4.340 ( 25.830 38.450 0.000) 46.321 4.385 ( -0.536 -6.837 0.000) 6.858 4.651 ( 5.185 4.805 0.000) 7.069 4.719 ( 1.744 2.351 0.000) 2.927 4.972 ( -0.341 10.563 0.000) 10.569 5.113 ( 14.120 -3.462 0.000) 14.539 5.211 ( 8.227 0.418 0.000) 8.237 5.322 ( -0.585 -2.745 0.000) 2.807 5.385 ( 5.667 -4.444 0.000) 7.202 5.595 ( 7.571 0.060 0.000) 7.571 5.612 ( 5.454 -4.275 0.000) 6.929 5.719 ( -3.652 5.095 0.000) 6.269 5.747 ( 3.498 -8.921 0.000) 9.582 6.492 ( 13.399 1.080 0.000) 13.442 6.589 ( 7.938 6.603 0.000) 10.325 6.770 ( -1.029 2.256 0.000) 2.480 7.124 ( -2.221 -3.668 0.000) 4.288 7.327 ( -8.065 -20.589 0.000) 22.112 7.690 ( -4.199 1.748 0.000) 4.549 7.879 ( -7.007 10.867 0.000) 12.930 8.452 ( -6.958 5.788 0.000) 9.050 8.742 ( -1.221 -1.637 0.000) 2.042 8.771 ( -3.118 11.409 0.000) 11.828 9.194 ( -0.896 5.655 0.000) 5.725 9.234 ( 1.045 11.607 0.000) 11.654 9.518 ( 0.723 -1.603 0.000) 1.759 9.677 ( 3.990 6.706 0.000) 7.804 9.977 ( -12.749 7.009 0.000) 14.548 10.117 ( 1.470 -0.796 0.000) 1.671 10.241 ( 7.294 6.044 0.000) 9.473 10.282 ( 0.640 2.639 0.000) 2.715 10.520 ( -12.043 -10.079 0.000) 15.704 10.581 ( 13.270 8.334 0.000) 15.670 10.722 ( 3.182 -8.362 0.000) 8.947 11.143 ( -3.949 4.480 0.000) 5.972 11.229 ( 7.414 6.909 0.000) 10.134 11.250 ( -3.788 -7.810 0.000) 8.680 11.298 ( -0.661 -1.940 0.000) 2.050 11.370 ( -0.311 0.057 0.000) 0.316 11.472 ( -0.163 2.918 0.000) 2.923 11.851 ( -12.841 -7.746 0.000) 14.997 12.041 ( -1.041 -3.020 0.000) 3.195 12.389 ( 0.375 2.019 0.000) 2.054 12.734 ( -0.458 3.074 0.000) 3.108 12.862 ( -12.217 1.134 0.000) 12.269 13.381 ( 6.661 -11.513 0.000) 13.301 13.455 ( -9.769 7.340 0.000) 12.219 13.489 ( 15.674 4.397 0.000) 16.280 14.015 ( 4.840 6.498 0.000) 8.102 14.229 ( 18.718 1.983 0.000) 18.822 14.239 ( -4.592 -5.145 0.000) 6.897 14.482 ( 18.364 -2.804 0.000) 18.576 14.645 ( 1.710 -5.788 0.000) 6.035 14.780 ( 13.448 -8.476 0.000) 15.897 15.033 ( -1.987 -4.702 0.000) 5.105 15.331 ( 0.474 2.646 0.000) 2.688 15.588 ( 1.854 4.063 0.000) 4.466 15.664 ( 2.257 8.038 0.000) 8.349 15.674 ( 13.089 5.310 0.000) 14.126 16.122 ( 6.728 -6.823 0.000) 9.582 16.207 ( 1.209 6.348 0.000) 6.462 16.613 ( -5.427 3.163 0.000) 6.282 17.041 ( -10.340 12.656 0.000) 16.343 17.083 ( -4.578 -0.278 0.000) 4.587 17.354 ( -17.350 5.275 0.000) 18.134 17.506 ( -8.409 -2.712 0.000) 8.835 17.914 ( -7.488 0.517 0.000) 7.506 18.023 ( 5.231 0.177 0.000) 5.234 18.265 ( -4.528 2.215 0.000) 5.040 18.365 ( -4.685 -8.307 0.000) 9.537 19.233 ( 18.076 10.572 0.000) 20.941 20.065 ( 11.328 -10.710 0.000) 15.589 20.077 ( 8.988 -2.586 0.000) 9.353 20.818 ( -10.279 1.436 0.000) 10.378 20.976 ( 0.743 -4.500 0.000) 4.561 21.357 ( 6.256 0.047 0.000) 6.257 21.561 ( -7.540 -1.473 0.000) 7.683 22.010 ( -6.320 3.225 0.000) 7.095 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 20.753 16.482 0.000) 26.502 3.202 ( 17.890 21.452 0.000) 27.932 3.929 ( -2.431 -1.664 0.000) 2.946 3.943 ( -9.401 5.313 0.000) 10.798 4.053 ( 6.206 -5.836 0.000) 8.519 4.177 ( -2.269 3.142 0.000) 3.876 4.393 ( 0.709 -6.946 0.000) 6.982 4.621 ( -5.769 4.413 0.000) 7.263 4.785 ( 4.831 12.321 0.000) 13.235 4.900 ( 19.971 18.852 0.000) 27.463 5.039 ( 10.841 6.853 0.000) 12.825 5.227 ( -1.977 -0.990 0.000) 2.211 5.271 ( 9.655 12.589 0.000) 15.864 5.411 ( 8.830 0.773 0.000) 8.864 5.528 ( -5.533 4.754 0.000) 7.295 5.661 ( 11.569 0.580 0.000) 11.584 5.667 ( 1.910 -6.308 0.000) 6.591 5.920 ( 13.116 -13.210 0.000) 18.616 5.955 ( 23.023 -5.776 0.000) 23.736 6.677 ( 3.731 3.228 0.000) 4.933 6.740 ( 6.095 3.834 0.000) 7.200 6.870 ( 13.255 -1.248 0.000) 13.314 6.969 ( -13.249 -0.780 0.000) 13.272 7.168 ( -7.881 -19.505 0.000) 21.037 7.566 ( -10.909 -3.288 0.000) 11.393 7.713 ( -10.675 9.350 0.000) 14.190 8.343 ( -2.827 6.966 0.000) 7.518 8.655 ( -7.584 11.381 0.000) 13.676 8.759 ( 2.507 -3.868 0.000) 4.609 9.157 ( -4.060 7.868 0.000) 8.854 9.253 ( 1.423 8.342 0.000) 8.462 9.503 ( -2.577 -4.167 0.000) 4.899 9.683 ( -1.699 9.566 0.000) 9.716 9.764 ( -8.337 2.904 0.000) 8.828 10.109 ( -1.467 1.556 0.000) 2.138 10.288 ( -7.820 -5.706 0.000) 9.680 10.301 ( -2.488 -2.836 0.000) 3.773 10.363 ( 3.127 -2.919 0.000) 4.278 10.718 ( 3.884 3.129 0.000) 4.988 10.958 ( 17.161 1.174 0.000) 17.201 11.035 ( -6.496 2.116 0.000) 6.832 11.195 ( -2.118 -2.037 0.000) 2.938 11.279 ( -1.421 2.019 0.000) 2.469 11.330 ( 2.364 0.127 0.000) 2.367 11.419 ( 5.437 4.884 0.000) 7.308 11.543 ( 5.619 1.406 0.000) 5.792 11.668 ( -3.485 -5.891 0.000) 6.845 12.016 ( -1.349 -1.626 0.000) 2.113 12.345 ( -5.166 1.471 0.000) 5.371 12.610 ( -14.349 1.855 0.000) 14.468 12.763 ( 4.375 3.858 0.000) 5.834 13.261 ( -10.493 5.720 0.000) 11.951 13.552 ( 10.927 -10.807 0.000) 15.369 13.778 ( 13.507 6.340 0.000) 14.921 14.061 ( -1.648 -0.455 0.000) 1.710 14.156 ( -3.293 2.363 0.000) 4.053 14.530 ( 11.863 2.648 0.000) 12.155 14.736 ( 11.828 -3.656 0.000) 12.380 14.814 ( 13.377 -2.372 0.000) 13.586 14.930 ( -0.767 -4.404 0.000) 4.470 15.027 ( 3.910 -5.925 0.000) 7.099 15.320 ( -2.182 4.379 0.000) 4.892 15.610 ( 1.092 1.883 0.000) 2.176 15.692 ( 0.366 6.673 0.000) 6.683 15.975 ( 17.196 4.687 0.000) 17.823 16.265 ( 5.036 7.434 0.000) 8.979 16.282 ( 9.984 -3.647 0.000) 10.630 16.506 ( -5.431 3.032 0.000) 6.220 16.840 ( -10.599 12.057 0.000) 16.053 16.966 ( -7.892 3.813 0.000) 8.765 17.064 ( -12.296 5.946 0.000) 13.659 17.296 ( -13.214 -2.920 0.000) 13.533 17.826 ( -1.300 -3.937 0.000) 4.146 18.072 ( -1.028 -1.563 0.000) 1.870 18.217 ( -0.890 -0.320 0.000) 0.946 18.273 ( -3.875 -7.897 0.000) 8.797 19.575 ( 17.780 9.318 0.000) 20.073 20.201 ( 2.992 -0.449 0.000) 3.026 20.275 ( 10.184 -9.330 0.000) 13.812 20.622 ( -9.507 -2.178 0.000) 9.754 20.997 ( 1.863 -4.479 0.000) 4.851 21.393 ( -9.833 -1.650 0.000) 9.970 21.492 ( 7.757 0.496 0.000) 7.772 21.893 ( -6.126 2.622 0.000) 6.664 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 13.130 17.780 0.000) 22.103 3.491 ( 18.932 7.532 0.000) 20.375 3.735 ( -11.578 13.019 0.000) 17.423 3.805 ( -11.511 2.001 0.000) 11.683 4.123 ( 2.393 -1.521 0.000) 2.836 4.155 ( -0.942 0.310 0.000) 0.992 4.412 ( 1.874 -2.213 0.000) 2.900 4.486 ( -6.220 2.636 0.000) 6.756 4.887 ( 5.534 14.927 0.000) 15.920 4.975 ( -2.926 6.890 0.000) 7.486 5.173 ( 1.774 7.012 0.000) 7.233 5.188 ( -1.192 -2.244 0.000) 2.541 5.477 ( 0.801 3.176 0.000) 3.275 5.497 ( 0.462 4.702 0.000) 4.724 5.674 ( 10.879 7.336 0.000) 13.122 5.711 ( 1.929 -2.734 0.000) 3.346 5.916 ( 26.504 6.542 0.000) 27.299 6.176 ( 11.337 -12.385 0.000) 16.791 6.319 ( 6.934 -9.888 0.000) 12.077 6.518 ( -25.401 3.017 0.000) 25.580 6.806 ( 15.812 1.573 0.000) 15.890 6.919 ( 4.741 -3.045 0.000) 5.635 7.014 ( -3.152 -16.670 0.000) 16.965 7.193 ( 14.471 3.803 0.000) 14.963 7.241 ( -22.517 -4.322 0.000) 22.928 7.473 ( -14.179 6.971 0.000) 15.800 8.371 ( 5.019 7.539 0.000) 9.056 8.501 ( -8.102 9.282 0.000) 12.321 8.853 ( 7.362 -1.242 0.000) 7.466 9.021 ( -9.363 5.284 0.000) 10.751 9.311 ( 4.785 1.856 0.000) 5.133 9.418 ( -5.865 -2.349 0.000) 6.318 9.664 ( -0.009 8.852 0.000) 8.852 9.678 ( -1.690 5.261 0.000) 5.526 10.083 ( -0.500 -2.820 0.000) 2.864 10.125 ( -5.598 -8.515 0.000) 10.190 10.322 ( 1.682 -0.764 0.000) 1.847 10.360 ( -2.050 -4.511 0.000) 4.955 10.808 ( 5.431 6.116 0.000) 8.180 10.916 ( -5.982 4.267 0.000) 7.348 11.161 ( 1.858 0.289 0.000) 1.881 11.168 ( -0.585 -0.414 0.000) 0.716 11.339 ( 9.402 2.934 0.000) 9.849 11.380 ( 3.644 -2.626 0.000) 4.492 11.469 ( -2.031 4.502 0.000) 4.939 11.474 ( -6.083 -5.016 0.000) 7.885 11.869 ( 14.848 5.725 0.000) 15.913 12.005 ( -0.246 2.831 0.000) 2.842 12.235 ( -4.196 -1.675 0.000) 4.518 12.332 ( -13.745 -0.620 0.000) 13.759 12.888 ( 8.296 4.467 0.000) 9.422 13.064 ( -10.126 4.942 0.000) 11.267 13.768 ( 11.203 -10.267 0.000) 15.196 13.955 ( -8.250 -9.143 0.000) 12.315 13.980 ( 8.057 8.275 0.000) 11.549 14.096 ( -4.330 9.618 0.000) 10.548 14.712 ( 8.484 0.080 0.000) 8.484 14.851 ( -5.993 -1.967 0.000) 6.307 14.971 ( 9.713 -2.114 0.000) 9.940 15.040 ( 11.357 1.695 0.000) 11.483 15.070 ( -1.158 -4.209 0.000) 4.365 15.230 ( -7.623 4.742 0.000) 8.978 15.639 ( 1.993 1.726 0.000) 2.637 15.677 ( -1.739 3.693 0.000) 4.082 16.257 ( 10.664 4.921 0.000) 11.745 16.360 ( 0.778 9.031 0.000) 9.064 16.449 ( 2.778 2.902 0.000) 4.018 16.483 ( 8.961 0.629 0.000) 8.983 16.661 ( -5.855 9.607 0.000) 11.251 16.785 ( -11.068 5.632 0.000) 12.418 16.930 ( -0.748 3.461 0.000) 3.541 17.045 ( -11.656 -1.382 0.000) 11.738 17.863 ( 4.845 -6.828 0.000) 8.373 17.983 ( -6.872 -5.909 0.000) 9.063 18.218 ( 0.715 -2.244 0.000) 2.355 18.235 ( -0.983 -4.366 0.000) 4.475 19.894 ( 15.570 7.766 0.000) 17.399 20.142 ( -9.395 5.612 0.000) 10.944 20.427 ( 5.610 -8.746 0.000) 10.391 20.500 ( -3.474 -7.901 0.000) 8.631 21.064 ( 5.537 -3.480 0.000) 6.540 21.207 ( -9.263 -2.227 0.000) 9.527 21.639 ( 7.558 0.892 0.000) 7.611 21.774 ( -6.638 1.602 0.000) 6.828 ======================= Grid point 36 (21/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 28.067 0.000) 28.067 2.950 ( 0.000 -25.237 0.000) 25.237 2.965 ( 0.000 21.142 0.000) 21.142 4.067 ( 0.000 1.217 0.000) 1.217 4.081 ( 0.000 -15.114 0.000) 15.114 4.177 ( 0.000 5.387 0.000) 5.387 4.334 ( 0.000 -0.483 0.000) 0.483 4.454 ( 0.000 -0.915 0.000) 0.915 4.574 ( 0.000 1.088 0.000) 1.088 4.669 ( 0.000 -7.126 0.000) 7.126 4.721 ( 0.000 27.670 0.000) 27.670 5.081 ( 0.000 0.673 0.000) 0.673 5.140 ( 0.000 4.651 0.000) 4.651 5.210 ( 0.000 -1.445 0.000) 1.445 5.223 ( 0.000 0.062 0.000) 0.062 5.534 ( 0.000 3.076 0.000) 3.076 5.614 ( 0.000 -6.383 0.000) 6.383 5.651 ( 0.000 -4.363 0.000) 4.363 5.658 ( 0.000 1.976 0.000) 1.976 6.259 ( 0.000 -5.932 0.000) 5.932 6.572 ( 0.000 5.386 0.000) 5.386 6.930 ( 0.000 7.016 0.000) 7.016 6.981 ( 0.000 -3.536 0.000) 3.536 7.180 ( 0.000 -12.765 0.000) 12.765 7.871 ( 0.000 2.320 0.000) 2.320 8.197 ( 0.000 5.538 0.000) 5.538 8.669 ( 0.000 1.664 0.000) 1.664 8.812 ( 0.000 1.148 0.000) 1.148 8.875 ( 0.000 3.907 0.000) 3.907 9.271 ( 0.000 1.468 0.000) 1.468 9.382 ( 0.000 5.645 0.000) 5.645 9.489 ( 0.000 1.027 0.000) 1.027 9.576 ( 0.000 4.240 0.000) 4.240 10.028 ( 0.000 -0.932 0.000) 0.932 10.217 ( 0.000 5.346 0.000) 5.346 10.281 ( 0.000 -0.237 0.000) 0.237 10.467 ( 0.000 6.296 0.000) 6.296 10.492 ( 0.000 -10.259 0.000) 10.259 10.602 ( 0.000 9.962 0.000) 9.962 10.669 ( 0.000 -4.287 0.000) 4.287 11.171 ( 0.000 -5.513 0.000) 5.513 11.185 ( 0.000 4.169 0.000) 4.169 11.287 ( 0.000 2.539 0.000) 2.539 11.318 ( 0.000 -5.343 0.000) 5.343 11.323 ( 0.000 -0.933 0.000) 0.933 11.411 ( 0.000 0.355 0.000) 0.355 11.980 ( 0.000 -2.468 0.000) 2.468 12.148 ( 0.000 -4.842 0.000) 4.842 12.509 ( 0.000 -1.010 0.000) 1.010 12.767 ( 0.000 15.119 0.000) 15.119 13.088 ( 0.000 -0.074 0.000) 0.074 13.109 ( 0.000 -1.126 0.000) 1.126 13.137 ( 0.000 -15.325 0.000) 15.325 13.759 ( 0.000 2.816 0.000) 2.816 13.902 ( 0.000 11.358 0.000) 11.358 13.984 ( 0.000 0.757 0.000) 0.757 14.018 ( 0.000 1.631 0.000) 1.631 14.116 ( 0.000 -9.401 0.000) 9.401 14.254 ( 0.000 -3.893 0.000) 3.893 14.579 ( 0.000 -3.099 0.000) 3.099 14.990 ( 0.000 -1.613 0.000) 1.613 15.320 ( 0.000 0.362 0.000) 0.362 15.514 ( 0.000 3.455 0.000) 3.455 15.643 ( 0.000 5.624 0.000) 5.624 15.711 ( 0.000 3.053 0.000) 3.053 15.840 ( 0.000 -8.128 0.000) 8.128 16.298 ( 0.000 2.478 0.000) 2.478 16.772 ( 0.000 1.247 0.000) 1.247 17.098 ( 0.000 -1.850 0.000) 1.850 17.499 ( 0.000 6.287 0.000) 6.287 17.633 ( 0.000 -0.467 0.000) 0.467 17.810 ( 0.000 0.582 0.000) 0.582 17.852 ( 0.000 -0.951 0.000) 0.951 18.202 ( 0.000 2.123 0.000) 2.123 18.301 ( 0.000 -4.598 0.000) 4.598 18.521 ( 0.000 -2.325 0.000) 2.325 19.050 ( 0.000 19.687 0.000) 19.687 19.497 ( 0.000 -16.603 0.000) 16.603 19.843 ( 0.000 1.056 0.000) 1.056 20.916 ( 0.000 -0.943 0.000) 0.943 21.083 ( 0.000 0.997 0.000) 0.997 21.215 ( 0.000 -0.664 0.000) 0.664 21.697 ( 0.000 -0.215 0.000) 0.215 22.199 ( 0.000 0.626 0.000) 0.626 ======================= Grid point 37 (22/100) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 24.767 24.668 0.000) 34.956 3.015 ( 5.256 19.558 0.000) 20.251 3.130 ( 17.378 -23.097 0.000) 28.905 4.035 ( -2.862 1.009 0.000) 3.034 4.055 ( -0.696 -10.675 0.000) 10.698 4.251 ( 3.216 3.398 0.000) 4.678 4.353 ( -6.192 -2.370 0.000) 6.630 4.472 ( 12.936 0.307 0.000) 12.940 4.646 ( 6.413 -0.857 0.000) 6.470 4.761 ( 9.015 -4.141 0.000) 9.921 4.764 ( 5.339 23.857 0.000) 24.447 5.065 ( 0.259 2.505 0.000) 2.518 5.161 ( 2.082 4.241 0.000) 4.725 5.254 ( 3.821 -1.353 0.000) 4.053 5.315 ( 4.734 -0.966 0.000) 4.831 5.478 ( -3.504 -2.399 0.000) 4.247 5.537 ( 0.486 2.461 0.000) 2.509 5.637 ( -1.250 -4.276 0.000) 4.455 5.822 ( 8.735 4.011 0.000) 9.612 6.254 ( 0.730 -8.621 0.000) 8.652 6.607 ( 3.659 5.092 0.000) 6.270 6.895 ( -3.205 6.522 0.000) 7.267 7.013 ( 2.963 -3.481 0.000) 4.571 7.126 ( -5.438 -12.754 0.000) 13.865 7.831 ( -4.219 1.986 0.000) 4.663 8.157 ( -4.148 5.311 0.000) 6.739 8.632 ( -3.903 1.837 0.000) 4.314 8.774 ( -3.495 0.500 0.000) 3.531 8.935 ( 4.056 4.213 0.000) 5.848 9.265 ( -0.647 1.509 0.000) 1.642 9.395 ( 1.372 5.663 0.000) 5.827 9.510 ( 1.370 1.026 0.000) 1.711 9.632 ( 6.089 3.235 0.000) 6.895 10.044 ( 1.654 -0.955 0.000) 1.910 10.247 ( 3.335 4.785 0.000) 5.832 10.285 ( 0.350 -0.266 0.000) 0.439 10.363 ( -10.627 5.658 0.000) 12.039 10.497 ( 1.102 -9.258 0.000) 9.323 10.577 ( -9.002 -4.626 0.000) 10.121 10.641 ( 4.157 9.364 0.000) 10.245 11.153 ( -2.153 -5.445 0.000) 5.855 11.228 ( 4.375 3.969 0.000) 5.907 11.259 ( -1.881 -2.894 0.000) 3.452 11.278 ( -0.693 3.083 0.000) 3.160 11.393 ( -1.713 -0.101 0.000) 1.716 11.401 ( 3.943 -2.700 0.000) 4.779 11.989 ( 0.692 -1.997 0.000) 2.113 12.037 ( -12.649 -3.646 0.000) 13.164 12.427 ( -2.113 1.703 0.000) 2.714 12.822 ( 1.465 8.491 0.000) 8.617 13.041 ( -6.714 -0.695 0.000) 6.750 13.113 ( 1.339 -9.173 0.000) 9.271 13.238 ( 12.234 -1.778 0.000) 12.362 13.766 ( -11.216 4.191 0.000) 11.973 13.913 ( 15.405 1.690 0.000) 15.497 14.023 ( 4.694 3.605 0.000) 5.918 14.138 ( 14.488 0.403 0.000) 14.494 14.224 ( -2.004 -2.538 0.000) 3.234 14.352 ( 15.501 -5.464 0.000) 16.436 14.559 ( -1.619 -3.137 0.000) 3.530 14.989 ( -0.304 -1.643 0.000) 1.671 15.335 ( 1.465 0.533 0.000) 1.559 15.577 ( 5.802 2.182 0.000) 6.199 15.667 ( 2.697 7.812 0.000) 8.264 15.733 ( 2.190 3.198 0.000) 3.876 15.861 ( 2.819 -9.061 0.000) 9.490 16.292 ( -0.380 2.493 0.000) 2.521 16.741 ( -3.192 1.233 0.000) 3.422 17.094 ( -0.494 -1.485 0.000) 1.565 17.408 ( -8.024 5.988 0.000) 10.012 17.593 ( -4.364 -0.690 0.000) 4.419 17.687 ( -12.152 0.020 0.000) 12.152 17.922 ( 6.302 0.725 0.000) 6.344 18.113 ( -8.475 1.584 0.000) 8.622 18.293 ( -1.652 -4.611 0.000) 4.898 18.421 ( -8.143 -0.383 0.000) 8.152 19.193 ( 12.820 16.120 0.000) 20.596 19.601 ( 10.128 -14.881 0.000) 18.001 19.905 ( 6.037 0.314 0.000) 6.045 20.915 ( -0.111 -1.230 0.000) 1.235 21.019 ( -6.553 1.051 0.000) 6.636 21.253 ( 3.893 -0.425 0.000) 3.916 21.656 ( -4.277 -0.369 0.000) 4.293 22.155 ( -4.283 0.848 0.000) 4.366 ======================= Grid point 38 (23/100) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 26.958 19.624 0.000) 33.344 3.160 ( 9.853 15.264 0.000) 18.168 3.515 ( 20.797 -18.380 0.000) 27.755 3.981 ( -2.421 0.362 0.000) 2.448 4.062 ( 0.678 -4.817 0.000) 4.864 4.194 ( -5.229 -3.508 0.000) 6.297 4.303 ( -1.590 -0.191 0.000) 1.602 4.692 ( 5.916 1.752 0.000) 6.170 4.832 ( 11.276 8.165 0.000) 13.922 4.944 ( 13.756 15.827 0.000) 20.969 4.998 ( 16.734 -8.176 0.000) 18.625 5.120 ( 1.630 7.048 0.000) 7.234 5.254 ( 2.639 0.436 0.000) 2.675 5.286 ( 9.852 -4.217 0.000) 10.717 5.300 ( -0.590 -0.291 0.000) 0.658 5.561 ( 1.768 -0.951 0.000) 2.008 5.605 ( 10.472 0.784 0.000) 10.502 5.626 ( 1.442 -3.423 0.000) 3.714 5.924 ( 2.101 18.376 0.000) 18.496 6.351 ( 9.727 -18.403 0.000) 20.815 6.701 ( 5.625 3.875 0.000) 6.830 6.835 ( -2.666 5.697 0.000) 6.290 6.995 ( -7.065 -11.839 0.000) 13.787 7.057 ( 0.179 -2.539 0.000) 2.545 7.717 ( -7.635 0.871 0.000) 7.684 8.042 ( -7.999 4.793 0.000) 9.325 8.530 ( -6.353 2.110 0.000) 6.694 8.708 ( -2.658 -0.792 0.000) 2.773 8.947 ( -3.422 4.844 0.000) 5.931 9.246 ( -1.324 1.465 0.000) 1.974 9.432 ( 2.340 6.144 0.000) 6.574 9.510 ( -1.699 0.341 0.000) 1.733 9.760 ( 4.852 2.111 0.000) 5.292 10.091 ( -16.862 3.787 0.000) 17.282 10.098 ( 4.188 -0.541 0.000) 4.223 10.287 ( -1.018 -1.464 0.000) 1.783 10.317 ( 2.128 2.019 0.000) 2.933 10.368 ( -11.397 -4.257 0.000) 12.167 10.562 ( 6.565 -5.360 0.000) 8.475 10.774 ( 10.631 7.124 0.000) 12.797 11.089 ( -4.222 -3.891 0.000) 5.741 11.263 ( -0.959 3.376 0.000) 3.510 11.265 ( 2.704 -1.279 0.000) 2.991 11.316 ( 1.600 1.234 0.000) 2.021 11.383 ( 3.885 1.209 0.000) 4.069 11.465 ( 3.292 -1.752 0.000) 3.729 11.746 ( -15.424 -2.878 0.000) 15.691 11.997 ( -0.038 -1.290 0.000) 1.291 12.441 ( 1.069 2.201 0.000) 2.446 12.799 ( -2.062 3.010 0.000) 3.648 12.870 ( -11.099 -0.004 0.000) 11.099 13.192 ( 7.419 -6.626 0.000) 9.948 13.545 ( 18.419 1.354 0.000) 18.469 13.552 ( -11.245 2.577 0.000) 11.537 14.082 ( -1.658 -0.080 0.000) 1.660 14.211 ( 2.773 1.961 0.000) 3.396 14.271 ( 20.557 1.786 0.000) 20.635 14.459 ( 17.425 0.116 0.000) 17.425 14.545 ( 1.409 -3.849 0.000) 4.098 14.652 ( 15.156 -4.091 0.000) 15.698 14.969 ( -2.032 -1.822 0.000) 2.730 15.368 ( 1.690 1.041 0.000) 1.984 15.640 ( 0.285 1.144 0.000) 1.179 15.778 ( 1.940 3.234 0.000) 3.771 15.804 ( 11.887 7.980 0.000) 14.317 15.974 ( 9.286 -8.266 0.000) 12.432 16.299 ( 1.726 2.711 0.000) 3.213 16.657 ( -5.423 1.217 0.000) 5.558 17.079 ( -1.193 -0.110 0.000) 1.198 17.232 ( -10.183 6.061 0.000) 11.850 17.413 ( -15.535 1.147 0.000) 15.577 17.460 ( -9.770 -1.498 0.000) 9.884 17.927 ( -10.057 0.549 0.000) 10.072 18.039 ( 5.256 1.335 0.000) 5.423 18.222 ( -5.652 -5.325 0.000) 7.765 18.280 ( -6.002 -0.070 0.000) 6.002 19.470 ( 15.591 12.100 0.000) 19.735 19.838 ( 13.902 -11.504 0.000) 18.045 20.045 ( 8.026 -0.774 0.000) 8.063 20.847 ( -11.186 1.005 0.000) 11.232 20.914 ( 0.185 -1.717 0.000) 1.727 21.356 ( 6.799 -0.035 0.000) 6.799 21.539 ( -7.885 -0.648 0.000) 7.912 22.052 ( -6.239 1.094 0.000) 6.334 ======================= Grid point 39 (24/100) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 12.403 9.384 0.000) 15.554 3.543 ( 14.554 13.943 0.000) 20.156 3.842 ( 11.524 -8.677 0.000) 14.425 3.952 ( 0.090 -2.016 0.000) 2.018 4.023 ( -4.730 3.924 0.000) 6.145 4.149 ( -0.667 -6.680 0.000) 6.713 4.294 ( 2.017 -1.102 0.000) 2.298 4.676 ( -5.588 1.490 0.000) 5.783 5.026 ( 8.820 10.971 0.000) 14.077 5.041 ( -4.121 1.335 0.000) 4.332 5.225 ( -4.760 0.565 0.000) 4.793 5.243 ( 12.277 8.495 0.000) 14.929 5.376 ( 20.382 -6.252 0.000) 21.319 5.377 ( 10.622 0.047 0.000) 10.622 5.573 ( -0.068 -1.354 0.000) 1.356 5.668 ( 21.192 0.162 0.000) 21.193 5.724 ( 7.651 -5.915 0.000) 9.671 5.766 ( 6.333 4.192 0.000) 7.595 6.003 ( 9.941 21.852 0.000) 24.007 6.546 ( 9.095 -24.236 0.000) 25.886 6.738 ( -7.033 -3.063 0.000) 7.671 6.785 ( 1.990 0.988 0.000) 2.222 6.963 ( -10.731 -0.037 0.000) 10.731 7.006 ( 10.190 1.035 0.000) 10.242 7.537 ( -12.126 -0.300 0.000) 12.130 7.855 ( -11.741 4.340 0.000) 12.518 8.432 ( -2.490 2.201 0.000) 3.323 8.704 ( 2.898 -1.425 0.000) 3.229 8.823 ( -8.981 4.715 0.000) 10.143 9.215 ( -2.243 1.120 0.000) 2.507 9.437 ( -4.621 6.601 0.000) 8.057 9.450 ( -4.323 -1.222 0.000) 4.492 9.793 ( -0.019 2.305 0.000) 2.306 9.812 ( -8.359 1.675 0.000) 8.526 10.121 ( -11.093 -5.984 0.000) 12.603 10.161 ( 0.704 3.279 0.000) 3.354 10.286 ( -4.100 -4.170 0.000) 5.848 10.300 ( -0.568 -0.648 0.000) 0.862 10.726 ( 8.814 -0.774 0.000) 8.848 11.009 ( -4.037 -1.944 0.000) 4.480 11.036 ( 15.586 4.257 0.000) 16.157 11.243 ( -1.005 4.094 0.000) 4.215 11.307 ( -0.375 -2.108 0.000) 2.141 11.320 ( 1.017 1.672 0.000) 1.957 11.500 ( -8.643 -3.092 0.000) 9.180 11.507 ( 6.021 2.897 0.000) 6.682 11.600 ( 12.043 -1.828 0.000) 12.181 11.993 ( 0.288 -0.693 0.000) 0.751 12.393 ( -6.531 2.217 0.000) 6.897 12.626 ( -14.705 0.209 0.000) 14.706 12.819 ( 4.711 1.679 0.000) 5.001 13.340 ( -11.113 2.180 0.000) 11.325 13.380 ( 11.793 -5.415 0.000) 12.977 13.873 ( 15.035 2.646 0.000) 15.266 13.986 ( -7.131 -2.848 0.000) 7.679 14.269 ( 1.260 4.284 0.000) 4.466 14.569 ( 7.127 1.296 0.000) 7.244 14.677 ( 16.928 -2.033 0.000) 17.050 14.790 ( 15.744 -0.412 0.000) 15.749 14.881 ( 4.663 -0.350 0.000) 4.676 14.927 ( 1.383 -4.090 0.000) 4.317 15.379 ( -1.205 1.633 0.000) 2.029 15.636 ( 0.081 0.729 0.000) 0.733 15.784 ( -1.622 2.510 0.000) 2.989 16.067 ( 14.903 4.522 0.000) 15.574 16.199 ( 14.063 -4.405 0.000) 14.737 16.378 ( 6.649 3.446 0.000) 7.489 16.549 ( -5.608 1.218 0.000) 5.738 17.030 ( -11.051 6.189 0.000) 12.666 17.039 ( -3.549 3.195 0.000) 4.776 17.139 ( -12.470 1.755 0.000) 12.593 17.230 ( -13.912 -3.120 0.000) 14.258 17.771 ( -5.376 -1.512 0.000) 5.584 18.046 ( -7.287 -0.932 0.000) 7.346 18.151 ( 1.162 -3.825 0.000) 3.997 18.203 ( -2.234 -0.638 0.000) 2.324 19.766 ( 15.469 8.893 0.000) 17.843 20.093 ( 12.198 -8.378 0.000) 14.798 20.184 ( 6.069 -0.732 0.000) 6.113 20.614 ( -12.999 0.365 0.000) 13.004 20.931 ( 2.030 -1.961 0.000) 2.822 21.366 ( -10.153 -0.877 0.000) 10.191 21.499 ( 8.065 0.216 0.000) 8.068 21.928 ( -6.751 0.965 0.000) 6.819 ======================= Grid point 40 (25/100) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 10.743 3.422 0.000) 11.275 3.709 ( 2.220 4.750 0.000) 5.243 3.878 ( -1.080 5.872 0.000) 5.971 3.927 ( -4.818 6.726 0.000) 8.274 4.047 ( 5.411 -5.485 0.000) 7.705 4.118 ( -2.552 -3.365 0.000) 4.223 4.387 ( 7.026 -0.474 0.000) 7.042 4.536 ( -8.269 1.792 0.000) 8.461 5.008 ( 0.910 -0.410 0.000) 0.998 5.067 ( -4.269 1.926 0.000) 4.683 5.242 ( 7.202 7.726 0.000) 10.563 5.348 ( -1.601 6.715 0.000) 6.903 5.511 ( 3.869 0.771 0.000) 3.945 5.559 ( -1.240 -0.998 0.000) 1.592 5.705 ( 11.060 5.449 0.000) 12.329 5.801 ( -0.568 5.839 0.000) 5.867 5.907 ( 12.665 -13.692 0.000) 18.651 6.064 ( 9.471 -4.072 0.000) 10.309 6.210 ( 12.421 10.253 0.000) 16.106 6.617 ( -21.106 6.362 0.000) 22.044 6.649 ( 6.967 -17.005 0.000) 18.377 6.790 ( -5.543 -7.941 0.000) 9.684 6.831 ( 17.087 -0.566 0.000) 17.096 7.224 ( -20.768 0.491 0.000) 20.773 7.285 ( 16.951 3.537 0.000) 17.316 7.597 ( -15.410 4.261 0.000) 15.988 8.470 ( 6.228 2.544 0.000) 6.728 8.634 ( -10.169 3.802 0.000) 10.856 8.834 ( 10.882 -0.548 0.000) 10.896 9.085 ( -13.252 1.636 0.000) 13.352 9.323 ( -1.360 0.048 0.000) 1.361 9.364 ( -4.176 -1.775 0.000) 4.538 9.803 ( 1.583 3.834 0.000) 4.148 9.812 ( 3.159 7.631 0.000) 8.259 9.969 ( -2.655 -7.614 0.000) 8.064 10.066 ( -8.726 0.937 0.000) 8.777 10.261 ( 0.966 -4.491 0.000) 4.594 10.283 ( -1.149 -1.943 0.000) 2.257 10.857 ( 5.183 0.313 0.000) 5.192 10.937 ( -3.700 -0.427 0.000) 3.724 11.234 ( 0.310 5.173 0.000) 5.182 11.244 ( 1.409 6.489 0.000) 6.641 11.320 ( 1.823 -3.637 0.000) 4.069 11.358 ( 3.956 -3.373 0.000) 5.199 11.393 ( 1.390 -1.101 0.000) 1.773 11.534 ( -4.295 1.817 0.000) 4.663 11.929 ( 19.755 0.840 0.000) 19.773 12.050 ( 6.238 1.485 0.000) 6.412 12.230 ( -9.364 0.656 0.000) 9.387 12.314 ( -17.965 -0.741 0.000) 17.980 12.952 ( 8.691 1.849 0.000) 8.886 13.135 ( -10.446 2.020 0.000) 10.640 13.613 ( 12.217 -4.634 0.000) 13.067 13.824 ( -9.919 -3.774 0.000) 10.612 14.099 ( 9.258 3.329 0.000) 9.838 14.234 ( -4.828 3.964 0.000) 6.247 14.706 ( 7.247 -0.358 0.000) 7.256 14.823 ( -5.029 -0.760 0.000) 5.086 14.935 ( 8.669 -1.072 0.000) 8.735 15.007 ( 0.944 -1.879 0.000) 2.103 15.077 ( 14.430 1.321 0.000) 14.490 15.296 ( -8.029 1.847 0.000) 8.239 15.660 ( 2.618 0.522 0.000) 2.669 15.726 ( -3.881 1.320 0.000) 4.099 16.318 ( 10.317 1.675 0.000) 10.452 16.451 ( -4.904 1.451 0.000) 5.114 16.483 ( 14.215 -0.376 0.000) 14.220 16.531 ( 7.915 3.603 0.000) 8.696 16.831 ( -8.477 5.935 0.000) 10.348 16.893 ( -12.544 4.651 0.000) 13.379 16.978 ( -3.629 1.322 0.000) 3.862 17.010 ( -6.529 -2.085 0.000) 6.854 17.752 ( 3.441 -3.704 0.000) 5.055 17.878 ( -8.850 -3.787 0.000) 9.627 18.175 ( 0.730 -1.609 0.000) 1.767 18.182 ( -0.361 -1.132 0.000) 1.188 20.048 ( 14.043 7.186 0.000) 15.774 20.240 ( -2.406 3.988 0.000) 4.658 20.270 ( 6.180 -6.975 0.000) 9.319 20.381 ( -9.756 -4.267 0.000) 10.648 21.008 ( 6.448 -1.757 0.000) 6.683 21.170 ( -10.073 -1.240 0.000) 10.149 21.652 ( 7.935 0.399 0.000) 7.945 21.796 ( -7.259 0.651 0.000) 7.288 ======================= Grid point 81 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 0.000 40.270) 40.270 0.891 ( 0.000 0.000 42.999) 42.999 1.327 ( 0.000 0.000 64.463) 64.463 3.542 ( 0.000 0.000 -16.433) 16.433 3.571 ( 0.000 0.000 -21.425) 21.425 4.097 ( 0.000 0.000 7.929) 7.929 4.173 ( 0.000 0.000 0.186) 0.186 4.357 ( 0.000 0.000 -10.940) 10.940 4.400 ( 0.000 0.000 2.188) 2.188 4.677 ( 0.000 0.000 -1.606) 1.606 4.780 ( 0.000 0.000 -7.636) 7.636 5.131 ( 0.000 0.000 1.221) 1.221 5.212 ( 0.000 0.000 9.306) 9.306 5.271 ( 0.000 0.000 5.726) 5.726 5.460 ( 0.000 0.000 -10.892) 10.892 5.632 ( 0.000 0.000 -0.735) 0.735 5.749 ( 0.000 0.000 -4.336) 4.336 5.779 ( 0.000 0.000 0.958) 0.958 6.002 ( 0.000 0.000 -13.218) 13.218 6.151 ( 0.000 0.000 -14.596) 14.596 6.193 ( 0.000 0.000 -4.645) 4.645 6.273 ( 0.000 0.000 2.741) 2.741 6.955 ( 0.000 0.000 -0.526) 0.526 7.502 ( 0.000 0.000 -9.528) 9.528 7.621 ( 0.000 0.000 7.857) 7.857 8.048 ( 0.000 0.000 -1.942) 1.942 8.272 ( 0.000 0.000 5.895) 5.895 8.374 ( 0.000 0.000 3.680) 3.680 8.691 ( 0.000 0.000 7.055) 7.055 8.996 ( 0.000 0.000 11.425) 11.425 9.134 ( 0.000 0.000 9.928) 9.928 9.244 ( 0.000 0.000 -2.739) 2.739 9.292 ( 0.000 0.000 0.795) 0.795 9.385 ( 0.000 0.000 -1.552) 1.552 9.878 ( 0.000 0.000 -1.058) 1.058 9.965 ( 0.000 0.000 1.831) 1.831 10.153 ( 0.000 0.000 9.430) 9.430 10.250 ( 0.000 0.000 8.541) 8.541 10.449 ( 0.000 0.000 5.012) 5.012 10.731 ( 0.000 0.000 7.889) 7.889 11.139 ( 0.000 0.000 1.970) 1.970 11.244 ( 0.000 0.000 1.141) 1.141 11.438 ( 0.000 0.000 8.335) 8.335 11.565 ( 0.000 0.000 -1.967) 1.967 11.696 ( 0.000 0.000 -7.457) 7.457 11.771 ( 0.000 0.000 1.540) 1.540 11.944 ( 0.000 0.000 -5.148) 5.148 12.583 ( 0.000 0.000 -8.060) 8.060 12.654 ( 0.000 0.000 -7.820) 7.820 12.802 ( 0.000 0.000 -21.039) 21.039 13.041 ( 0.000 0.000 -0.561) 0.561 13.248 ( 0.000 0.000 -3.595) 3.595 13.454 ( 0.000 0.000 8.343) 8.343 13.483 ( 0.000 0.000 1.372) 1.372 13.626 ( 0.000 0.000 2.869) 2.869 13.784 ( 0.000 0.000 -1.772) 1.772 14.092 ( 0.000 0.000 -1.997) 1.997 14.293 ( 0.000 0.000 -3.353) 3.353 14.662 ( 0.000 0.000 1.272) 1.272 14.878 ( 0.000 0.000 -2.358) 2.358 14.882 ( 0.000 0.000 -1.570) 1.570 15.235 ( 0.000 0.000 4.571) 4.571 15.425 ( 0.000 0.000 8.982) 8.982 15.463 ( 0.000 0.000 -5.830) 5.830 15.896 ( 0.000 0.000 8.504) 8.504 15.915 ( 0.000 0.000 -0.020) 0.020 16.000 ( 0.000 0.000 -2.402) 2.402 16.354 ( 0.000 0.000 2.950) 2.950 17.101 ( 0.000 0.000 -17.543) 17.543 17.113 ( 0.000 0.000 -11.076) 11.076 17.404 ( 0.000 0.000 1.352) 1.352 17.578 ( 0.000 0.000 -0.430) 0.430 17.912 ( 0.000 0.000 4.305) 4.305 17.934 ( 0.000 0.000 0.046) 0.046 18.120 ( 0.000 0.000 10.794) 10.794 18.726 ( 0.000 0.000 -1.139) 1.139 18.809 ( 0.000 0.000 7.214) 7.214 19.893 ( 0.000 0.000 -14.719) 14.719 20.427 ( 0.000 0.000 8.917) 8.917 20.910 ( 0.000 0.000 -2.599) 2.599 21.181 ( 0.000 0.000 0.380) 0.380 21.469 ( 0.000 0.000 -2.898) 2.898 21.650 ( 0.000 0.000 5.551) 5.551 21.766 ( 0.000 0.000 2.098) 2.098 ======================= Grid point 82 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 16.652 0.000 32.724) 36.717 1.018 ( 25.329 0.000 25.215) 35.740 2.066 ( 56.855 0.000 45.394) 72.753 3.579 ( 0.968 0.000 -20.824) 20.846 3.616 ( 7.048 0.000 -16.244) 17.707 4.133 ( -4.428 0.000 0.047) 4.428 4.200 ( 8.950 0.000 4.326) 9.940 4.286 ( -5.726 0.000 -9.051) 10.710 4.404 ( -1.028 0.000 -0.150) 1.039 4.561 ( -10.639 0.000 0.295) 10.643 4.748 ( -3.469 0.000 -8.144) 8.852 5.210 ( 7.890 0.000 -1.327) 8.000 5.247 ( 3.719 0.000 7.385) 8.268 5.321 ( 5.710 0.000 6.404) 8.580 5.432 ( -4.134 0.000 -9.680) 10.526 5.650 ( 2.836 0.000 -3.905) 4.826 5.725 ( -4.668 0.000 2.760) 5.423 5.823 ( 6.338 0.000 -0.046) 6.338 6.050 ( 1.354 0.000 -14.060) 14.125 6.123 ( 7.699 0.000 -5.928) 9.717 6.303 ( 4.930 0.000 6.371) 8.055 6.361 ( 10.774 0.000 -9.527) 14.382 7.009 ( 5.471 0.000 -0.377) 5.484 7.507 ( 0.777 0.000 -9.342) 9.374 7.630 ( 0.611 0.000 7.658) 7.683 8.009 ( -5.482 0.000 0.209) 5.486 8.298 ( 1.589 0.000 0.518) 1.671 8.344 ( -3.462 0.000 2.936) 4.539 8.677 ( -1.743 0.000 9.030) 9.197 8.971 ( -2.885 0.000 6.571) 7.177 8.991 ( -0.573 0.000 9.448) 9.465 9.210 ( -3.930 0.000 -1.824) 4.333 9.470 ( 8.836 0.000 0.100) 8.836 9.758 ( 23.168 0.000 -10.063) 25.260 9.891 ( 1.482 0.000 -1.651) 2.218 9.937 ( -3.013 0.000 2.955) 4.221 10.176 ( 5.103 0.000 7.363) 8.959 10.279 ( 2.377 0.000 4.758) 5.319 10.469 ( 3.291 0.000 5.113) 6.081 10.806 ( 7.168 0.000 6.512) 9.684 11.103 ( -3.834 0.000 2.043) 4.345 11.154 ( -8.910 0.000 2.202) 9.178 11.375 ( -16.599 0.000 12.537) 20.802 11.429 ( -0.879 0.000 8.336) 8.382 11.542 ( -2.371 0.000 -1.117) 2.621 11.829 ( -4.954 0.000 -5.556) 7.444 11.988 ( 5.057 0.000 -7.518) 9.061 12.479 ( -6.950 0.000 4.735) 8.409 12.586 ( -6.570 0.000 -13.708) 15.201 12.597 ( -15.663 0.000 3.048) 15.957 12.820 ( -0.269 0.000 -14.000) 14.002 13.107 ( -11.066 0.000 -1.649) 11.189 13.314 ( -6.814 0.000 6.576) 9.470 13.657 ( 11.101 0.000 0.427) 11.110 13.780 ( 0.583 0.000 -3.466) 3.514 14.066 ( 8.115 0.000 -10.567) 13.323 14.394 ( 6.791 0.000 -2.214) 7.143 14.449 ( 27.634 0.000 -19.694) 33.933 14.703 ( 4.611 0.000 -0.070) 4.612 14.900 ( 4.294 0.000 -3.315) 5.424 14.947 ( 7.013 0.000 -1.388) 7.149 15.303 ( 5.936 0.000 2.421) 6.411 15.421 ( -0.500 0.000 9.096) 9.110 15.427 ( -3.168 0.000 -3.085) 4.422 15.828 ( -4.842 0.000 4.517) 6.622 15.903 ( -1.213 0.000 -0.178) 1.226 16.041 ( 3.351 0.000 2.618) 4.253 16.348 ( -0.498 0.000 2.402) 2.453 16.976 ( -9.056 0.000 -12.244) 15.229 17.074 ( -20.540 0.000 21.119) 29.460 17.096 ( -5.003 0.000 -11.964) 12.968 17.572 ( -0.910 0.000 -2.201) 2.382 17.940 ( 1.088 0.000 0.403) 1.161 17.955 ( 3.135 0.000 0.756) 3.225 18.120 ( 1.093 0.000 12.856) 12.902 18.730 ( -0.735 0.000 -0.013) 0.735 18.871 ( 7.194 0.000 5.850) 9.272 19.926 ( 3.175 0.000 -15.282) 15.608 20.465 ( 3.719 0.000 10.453) 11.095 21.086 ( 10.824 0.000 -7.309) 13.061 21.195 ( 1.343 0.000 -1.746) 2.203 21.358 ( -9.038 0.000 -1.384) 9.143 21.620 ( -2.821 0.000 6.537) 7.119 21.769 ( 0.365 0.000 1.721) 1.760 ======================= Grid point 83 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 24.815 0.000 21.823) 33.046 1.666 ( 38.554 0.000 3.477) 38.711 3.206 ( 60.458 0.000 29.972) 67.479 3.609 ( 2.186 0.000 -18.745) 18.872 3.767 ( 7.856 0.000 -15.349) 17.243 3.965 ( -14.775 0.000 0.960) 14.806 4.119 ( -9.121 0.000 -10.129) 13.630 4.286 ( -8.024 0.000 -4.419) 9.160 4.372 ( 2.057 0.000 -6.391) 6.713 4.435 ( -2.454 0.000 0.381) 2.484 4.702 ( 0.369 0.000 -3.558) 3.577 5.289 ( -8.156 0.000 -5.352) 9.755 5.330 ( 4.191 0.000 1.800) 4.561 5.350 ( 5.689 0.000 3.043) 6.452 5.517 ( 13.239 0.000 0.868) 13.267 5.677 ( -0.040 0.000 5.920) 5.920 5.724 ( 4.249 0.000 -4.234) 5.999 5.975 ( 10.641 0.000 1.840) 10.799 6.097 ( 4.551 0.000 -7.811) 9.040 6.364 ( 14.725 0.000 0.187) 14.726 6.449 ( 9.308 0.000 7.102) 11.708 6.580 ( 12.693 0.000 -11.516) 17.139 7.145 ( 7.890 0.000 0.578) 7.912 7.526 ( 0.786 0.000 -9.169) 9.203 7.631 ( -0.484 0.000 6.505) 6.523 7.873 ( -7.901 0.000 5.707) 9.747 8.226 ( -9.449 0.000 1.959) 9.650 8.295 ( -1.869 0.000 -4.108) 4.513 8.640 ( -1.819 0.000 10.656) 10.810 8.960 ( -3.474 0.000 3.682) 5.062 8.971 ( 1.460 0.000 0.412) 1.517 9.117 ( -4.626 0.000 0.900) 4.713 9.665 ( 10.003 0.000 1.706) 10.147 9.879 ( -1.875 0.000 4.979) 5.320 9.895 ( -0.461 0.000 0.344) 0.575 9.985 ( 4.115 0.000 2.722) 4.933 10.305 ( 0.489 0.000 -0.796) 0.935 10.450 ( 19.316 0.000 -6.317) 20.323 10.620 ( 12.344 0.000 3.297) 12.777 10.925 ( -4.996 0.000 1.850) 5.328 10.993 ( 2.589 0.000 5.414) 6.001 10.996 ( -7.166 0.000 2.861) 7.716 11.161 ( -6.434 0.000 11.848) 13.482 11.413 ( -0.575 0.000 7.907) 7.928 11.485 ( -3.270 0.000 1.174) 3.474 11.684 ( -8.825 0.000 -5.236) 10.261 12.054 ( 1.800 0.000 -8.131) 8.327 12.316 ( -14.833 0.000 3.454) 15.230 12.433 ( -9.022 0.000 -15.920) 18.299 12.464 ( 3.611 0.000 1.268) 3.828 12.648 ( -16.190 0.000 -4.255) 16.739 13.024 ( 0.388 0.000 -2.947) 2.973 13.236 ( -0.473 0.000 4.753) 4.777 13.785 ( -0.354 0.000 -3.980) 3.996 13.881 ( 12.451 0.000 -2.683) 12.737 14.194 ( 5.888 0.000 -8.731) 10.531 14.461 ( 0.711 0.000 -0.728) 1.018 14.695 ( 4.438 0.000 -9.700) 10.667 14.832 ( 8.113 0.000 -1.463) 8.243 15.054 ( 7.869 0.000 -6.411) 10.150 15.134 ( 11.538 0.000 -2.101) 11.727 15.340 ( -2.923 0.000 -4.374) 5.261 15.405 ( -1.112 0.000 9.626) 9.690 15.411 ( 1.160 0.000 6.890) 6.987 15.800 ( 3.415 0.000 -1.988) 3.952 15.874 ( -1.719 0.000 -0.571) 1.811 16.114 ( 4.178 0.000 2.833) 5.048 16.337 ( -0.606 0.000 0.738) 0.955 16.791 ( -10.090 0.000 -8.916) 13.465 16.811 ( -7.711 0.000 21.426) 22.771 16.943 ( -10.335 0.000 -8.319) 13.267 17.514 ( -5.862 0.000 -2.944) 6.560 17.975 ( 2.476 0.000 0.244) 2.488 18.005 ( 2.863 0.000 -0.854) 2.988 18.185 ( 4.853 0.000 11.422) 12.410 18.687 ( -3.554 0.000 1.789) 3.979 19.078 ( 14.043 0.000 3.658) 14.511 19.996 ( 3.690 0.000 -14.177) 14.650 20.546 ( 4.179 0.000 10.318) 11.132 21.172 ( -8.387 0.000 -2.780) 8.836 21.222 ( 1.200 0.000 -5.319) 5.453 21.236 ( 3.492 0.000 -3.024) 4.620 21.568 ( -1.666 0.000 8.754) 8.911 21.775 ( 0.101 0.000 1.110) 1.114 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 28.295 0.000 14.152) 31.637 2.396 ( 37.503 0.000 -4.504) 37.772 3.520 ( -21.066 0.000 -1.097) 21.094 3.713 ( 0.989 0.000 -12.416) 12.455 3.877 ( 1.040 0.000 -11.698) 11.744 3.931 ( -9.219 0.000 -10.655) 14.089 4.116 ( 10.688 0.000 -3.834) 11.355 4.276 ( 10.232 0.000 -3.735) 10.893 4.291 ( -7.030 0.000 -17.711) 19.055 4.513 ( 28.230 0.000 15.253) 32.087 4.620 ( -11.667 0.000 -7.948) 14.117 5.280 ( 7.173 0.000 4.441) 8.437 5.395 ( 2.516 0.000 -1.562) 2.962 5.435 ( 3.354 0.000 6.496) 7.310 5.699 ( 2.000 0.000 7.232) 7.504 5.710 ( 7.328 0.000 -0.356) 7.337 5.793 ( 2.479 0.000 -2.740) 3.695 6.211 ( 6.420 0.000 -4.769) 7.997 6.251 ( 16.909 0.000 -0.660) 16.922 6.615 ( 10.985 0.000 10.890) 15.468 6.625 ( 9.195 0.000 9.577) 13.277 6.837 ( 12.654 0.000 -10.609) 16.513 7.205 ( -4.546 0.000 7.689) 8.932 7.510 ( -3.072 0.000 -5.668) 6.447 7.676 ( 8.387 0.000 -0.994) 8.445 7.734 ( -6.640 0.000 6.635) 9.387 7.988 ( -14.826 0.000 1.433) 14.895 8.245 ( -3.184 0.000 -6.424) 7.170 8.607 ( -1.629 0.000 8.924) 9.071 8.848 ( -7.590 0.000 -1.381) 7.714 9.004 ( 1.751 0.000 -3.063) 3.529 9.065 ( -1.327 0.000 0.376) 1.380 9.809 ( 5.043 0.000 3.579) 6.184 9.865 ( -1.985 0.000 3.200) 3.766 9.893 ( 3.505 0.000 4.076) 5.376 10.062 ( 4.536 0.000 0.826) 4.610 10.314 ( 0.561 0.000 -4.615) 4.649 10.587 ( -8.888 0.000 -2.531) 9.241 10.811 ( -4.269 0.000 3.641) 5.610 10.811 ( -3.180 0.000 2.494) 4.041 10.927 ( 11.077 0.000 2.976) 11.470 11.136 ( 8.468 0.000 2.141) 8.734 11.192 ( 12.041 0.000 5.224) 13.125 11.404 ( -1.185 0.000 1.507) 1.917 11.454 ( 1.703 0.000 8.831) 8.994 11.539 ( -5.635 0.000 -2.323) 6.094 12.018 ( -14.279 0.000 5.216) 15.202 12.080 ( -0.399 0.000 -9.019) 9.028 12.252 ( -10.958 0.000 -11.398) 15.811 12.337 ( -14.604 0.000 -3.676) 15.060 12.578 ( 7.369 0.000 0.661) 7.398 12.979 ( -4.994 0.000 -0.320) 5.004 13.317 ( 7.710 0.000 0.499) 7.727 13.750 ( -3.699 0.000 -3.849) 5.339 14.121 ( 12.346 0.000 -6.126) 13.782 14.277 ( 2.702 0.000 -7.713) 8.173 14.464 ( 0.858 0.000 1.571) 1.790 14.763 ( 3.153 0.000 -7.398) 8.042 14.971 ( 5.704 0.000 -3.222) 6.551 15.095 ( -3.657 0.000 1.136) 3.830 15.299 ( -0.714 0.000 0.388) 0.813 15.331 ( 7.832 0.000 -2.493) 8.219 15.384 ( -0.467 0.000 10.535) 10.545 15.426 ( 1.912 0.000 2.998) 3.556 15.848 ( -0.714 0.000 -1.081) 1.296 15.902 ( 4.359 0.000 -4.605) 6.341 16.194 ( 4.375 0.000 -1.775) 4.721 16.337 ( 1.193 0.000 -0.590) 1.331 16.605 ( -9.414 0.000 -6.594) 11.494 16.733 ( -11.278 0.000 -5.652) 12.615 16.769 ( 3.185 0.000 17.982) 18.262 17.355 ( -10.445 0.000 0.271) 10.449 18.030 ( 3.219 0.000 -0.001) 3.219 18.073 ( 3.716 0.000 -1.923) 4.184 18.272 ( 4.345 0.000 8.947) 9.947 18.600 ( -5.531 0.000 2.699) 6.155 19.378 ( 17.036 0.000 2.614) 17.235 20.038 ( -0.283 0.000 -7.745) 7.750 20.610 ( 2.783 0.000 1.062) 2.979 20.995 ( -9.457 0.000 -8.283) 12.571 21.235 ( 0.461 0.000 -1.225) 1.309 21.283 ( 0.974 0.000 4.014) 4.130 21.581 ( 2.938 0.000 7.153) 7.733 21.767 ( -1.143 0.000 0.912) 1.462 ======================= Grid point 85 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 29.142 0.000 8.998) 30.499 2.956 ( -7.815 0.000 2.358) 8.163 3.136 ( 11.966 0.000 -5.822) 13.307 3.608 ( -21.836 0.000 -9.672) 23.882 3.799 ( 5.835 0.000 -11.642) 13.022 3.897 ( -3.389 0.000 -9.013) 9.629 4.150 ( 1.135 0.000 -13.854) 13.901 4.188 ( -3.246 0.000 -21.878) 22.118 4.310 ( 0.462 0.000 -11.787) 11.796 4.390 ( -9.164 0.000 -9.457) 13.168 5.207 ( 24.719 0.000 10.108) 26.706 5.393 ( 0.082 0.000 5.369) 5.369 5.438 ( 3.467 0.000 -0.223) 3.474 5.472 ( 0.327 0.000 6.913) 6.921 5.748 ( 3.070 0.000 5.234) 6.068 5.799 ( -1.567 0.000 1.066) 1.895 5.925 ( 19.289 0.000 5.137) 19.962 6.255 ( -5.918 0.000 0.214) 5.922 6.502 ( 8.908 0.000 0.598) 8.928 6.699 ( -9.822 0.000 13.915) 17.032 6.799 ( 7.610 0.000 11.439) 13.739 6.853 ( -2.706 0.000 8.272) 8.703 7.240 ( 11.783 0.000 -4.569) 12.638 7.425 ( -5.868 0.000 -4.233) 7.236 7.620 ( -3.556 0.000 5.699) 6.717 7.714 ( -12.121 0.000 3.422) 12.595 7.924 ( 14.528 0.000 -5.669) 15.595 8.150 ( -8.165 0.000 -6.239) 10.276 8.606 ( 2.504 0.000 3.856) 4.598 8.703 ( -7.095 0.000 -0.752) 7.134 9.032 ( 1.164 0.000 -4.881) 5.018 9.048 ( -0.679 0.000 -3.593) 3.657 9.841 ( -0.311 0.000 3.996) 4.008 9.846 ( -0.239 0.000 4.540) 4.546 10.023 ( 9.128 0.000 0.966) 9.179 10.132 ( 0.710 0.000 -3.184) 3.262 10.319 ( -0.176 0.000 -6.536) 6.538 10.375 ( -9.120 0.000 -0.017) 9.120 10.698 ( -3.551 0.000 8.114) 8.857 10.715 ( -4.747 0.000 5.661) 7.389 11.156 ( 8.876 0.000 1.433) 8.991 11.223 ( 1.210 0.000 1.290) 1.769 11.389 ( 0.389 0.000 -0.683) 0.786 11.418 ( -0.495 0.000 -2.971) 3.012 11.549 ( 7.859 0.000 10.066) 12.770 11.588 ( 16.940 0.000 4.642) 17.565 11.756 ( -11.354 0.000 7.945) 13.857 11.962 ( -18.114 0.000 1.602) 18.185 12.096 ( 1.763 0.000 -10.971) 11.111 12.161 ( -5.532 0.000 -12.704) 13.856 12.723 ( 7.647 0.000 -0.170) 7.649 12.862 ( -6.995 0.000 -0.228) 6.999 13.481 ( 9.054 0.000 -1.326) 9.151 13.642 ( -7.503 0.000 -2.824) 8.017 14.284 ( 3.580 0.000 -8.318) 9.056 14.303 ( 0.377 0.000 -6.882) 6.892 14.560 ( 10.047 0.000 2.117) 10.268 14.751 ( -6.750 0.000 -4.657) 8.201 15.019 ( -1.097 0.000 1.027) 1.503 15.027 ( 0.247 0.000 -3.601) 3.609 15.312 ( 1.686 0.000 5.080) 5.352 15.346 ( -1.613 0.000 8.076) 8.236 15.457 ( 3.267 0.000 -0.083) 3.268 15.469 ( 1.574 0.000 0.466) 1.642 15.859 ( 2.041 0.000 -1.742) 2.683 15.912 ( -2.564 0.000 -2.593) 3.647 16.296 ( 6.562 0.000 -5.124) 8.326 16.400 ( 5.418 0.000 -1.548) 5.635 16.437 ( -8.257 0.000 -5.559) 9.954 16.537 ( -9.002 0.000 -3.404) 9.624 16.910 ( 10.682 0.000 11.631) 15.792 17.135 ( -12.324 0.000 5.220) 13.384 18.089 ( 2.671 0.000 -0.561) 2.729 18.116 ( 0.292 0.000 -1.728) 1.753 18.364 ( 5.707 0.000 6.415) 8.586 18.484 ( -6.565 0.000 3.970) 7.672 19.697 ( 15.954 0.000 1.960) 16.074 19.948 ( -9.575 0.000 -0.279) 9.579 20.683 ( 5.634 0.000 -9.932) 11.419 20.822 ( -8.619 0.000 -11.530) 14.396 21.253 ( 1.457 0.000 5.868) 6.046 21.280 ( -1.064 0.000 7.231) 7.308 21.656 ( 4.323 0.000 3.476) 5.547 21.728 ( -3.005 0.000 1.536) 3.375 ======================= Grid point 90 (31/100) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 25.091 24.084) 34.779 1.060 ( 0.000 16.275 35.349) 38.916 1.993 ( 0.000 52.048 45.215) 68.944 3.560 ( 0.000 1.710 -16.661) 16.749 3.619 ( 0.000 4.668 -21.694) 22.190 4.048 ( 0.000 -4.895 7.076) 8.604 4.210 ( 0.000 3.199 -1.318) 3.460 4.408 ( 0.000 0.416 2.218) 2.256 4.439 ( 0.000 5.510 -13.619) 14.691 4.649 ( 0.000 -2.841 -2.475) 3.768 4.761 ( 0.000 -1.772 -8.104) 8.295 5.109 ( 0.000 -1.418 4.191) 4.425 5.215 ( 0.000 -4.286 5.599) 7.051 5.236 ( 0.000 1.773 7.086) 7.304 5.506 ( 0.000 3.484 -5.591) 6.588 5.575 ( 0.000 -5.548 -0.272) 5.554 5.727 ( 0.000 -1.640 -4.096) 4.412 5.834 ( 0.000 2.379 -0.649) 2.466 5.902 ( 0.000 -3.645 -7.097) 7.978 6.090 ( 0.000 -6.010 -12.574) 13.937 6.194 ( 0.000 0.228 -2.616) 2.626 6.444 ( 0.000 12.553 -7.451) 14.597 7.023 ( 0.000 4.013 -1.063) 4.151 7.530 ( 0.000 2.812 -8.397) 8.855 7.653 ( 0.000 3.444 7.752) 8.483 8.151 ( 0.000 10.076 -2.681) 10.426 8.221 ( 0.000 -5.237 8.301) 9.816 8.400 ( 0.000 2.800 2.114) 3.508 8.787 ( 0.000 9.496 7.289) 11.971 8.928 ( 0.000 -3.835 8.792) 9.592 9.115 ( 0.000 1.017 12.238) 12.281 9.283 ( 0.000 2.790 -0.378) 2.816 9.329 ( 0.000 3.154 -0.239) 3.163 9.484 ( 0.000 11.643 -3.163) 12.065 9.910 ( 0.000 4.085 1.738) 4.440 9.998 ( 0.000 2.446 0.367) 2.474 10.155 ( 0.000 1.270 9.068) 9.157 10.334 ( 0.000 1.060 -0.778) 1.315 10.665 ( 0.000 16.043 -2.512) 16.239 10.778 ( 0.000 4.738 7.101) 8.536 11.103 ( 0.000 -3.810 2.007) 4.306 11.229 ( 0.000 -2.692 1.456) 3.060 11.437 ( 0.000 -0.136 7.553) 7.554 11.472 ( 0.000 -5.453 2.232) 5.892 11.718 ( 0.000 -1.445 -9.632) 9.740 11.743 ( 0.000 -2.912 1.978) 3.520 11.887 ( 0.000 -3.740 -6.198) 7.239 12.539 ( 0.000 -4.543 -7.770) 9.001 12.629 ( 0.000 -2.458 -6.824) 7.253 12.789 ( 0.000 -4.818 -1.575) 5.069 13.041 ( 0.000 0.142 -1.295) 1.303 13.087 ( 0.000 -9.561 9.660) 13.591 13.263 ( 0.000 1.119 -0.814) 1.384 13.462 ( 0.000 -1.380 -1.563) 2.085 13.744 ( 0.000 4.071 0.464) 4.097 13.813 ( 0.000 2.575 -2.209) 3.393 14.032 ( 0.000 -5.569 -2.151) 5.970 14.299 ( 0.000 0.573 -4.006) 4.046 14.780 ( 0.000 -7.529 -1.231) 7.628 14.880 ( 0.000 -2.207 -0.423) 2.247 14.902 ( 0.000 12.442 -10.563) 16.321 15.233 ( 0.000 -0.513 1.546) 1.629 15.399 ( 0.000 -4.451 -0.320) 4.463 15.455 ( 0.000 2.449 7.491) 7.881 15.733 ( 0.000 -4.712 11.054) 12.017 15.960 ( 0.000 6.019 6.937) 9.184 16.208 ( 0.000 1.835 -6.935) 7.174 16.414 ( 0.000 8.269 -3.452) 8.960 17.078 ( 0.000 0.684 3.708) 3.771 17.090 ( 0.000 -1.147 -16.746) 16.785 17.414 ( 0.000 3.388 -10.209) 10.756 17.840 ( 0.000 16.880 -7.097) 18.311 17.910 ( 0.000 -0.430 4.237) 4.258 17.932 ( 0.000 -0.092 0.950) 0.954 18.119 ( 0.000 -0.025 9.455) 9.455 18.707 ( 0.000 -2.002 -1.212) 2.340 18.778 ( 0.000 -3.008 7.885) 8.439 19.771 ( 0.000 -8.013 -6.254) 10.164 20.266 ( 0.000 -9.377 13.947) 16.806 20.854 ( 0.000 -2.418 -5.147) 5.686 21.157 ( 0.000 -1.608 2.574) 3.035 21.369 ( 0.000 -1.595 6.633) 6.822 21.743 ( 0.000 0.311 0.977) 1.026 21.958 ( 0.000 11.033 -7.381) 13.275 ======================= Grid point 91 (32/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 23.592 23.100 10.099) 34.528 1.473 ( 23.202 26.244 24.063) 42.498 2.374 ( 40.158 32.716 41.897) 66.621 3.581 ( 1.538 1.058 -21.669) 21.749 3.682 ( 6.386 5.418 -15.313) 17.453 4.150 ( 8.834 -5.041 4.421) 11.091 4.182 ( -2.624 3.354 -0.816) 4.336 4.332 ( -7.059 4.305 -9.371) 12.497 4.451 ( 0.831 4.279 -1.927) 4.766 4.557 ( -8.801 -0.348 0.017) 8.808 4.746 ( -2.544 -0.610 -8.698) 9.083 5.155 ( 6.299 -3.610 1.925) 7.511 5.245 ( 2.933 -2.961 5.180) 6.648 5.308 ( 6.802 0.916 4.580) 8.251 5.481 ( -3.569 3.522 -5.586) 7.506 5.596 ( 1.855 -3.906 -3.425) 5.516 5.710 ( -6.448 -3.097 1.583) 7.327 5.783 ( 4.458 -1.088 1.371) 4.789 5.975 ( 8.224 -8.186 -5.507) 12.844 6.102 ( 1.546 1.792 -10.301) 10.569 6.332 ( 10.939 -1.760 -1.691) 11.208 6.490 ( 5.505 12.225 -4.314) 14.084 7.036 ( 2.594 2.030 -2.529) 4.152 7.498 ( -2.796 0.351 -6.802) 7.363 7.674 ( 1.336 3.472 5.508) 6.646 8.078 ( -5.990 4.304 4.872) 8.840 8.299 ( 4.225 1.903 -0.879) 4.716 8.372 ( -3.264 2.926 2.123) 4.871 8.754 ( -2.829 7.430 8.399) 11.565 8.946 ( 1.797 -0.498 6.362) 6.630 9.041 ( -3.179 3.824 6.661) 8.313 9.303 ( -1.063 7.881 -1.270) 8.053 9.503 ( 7.041 2.406 0.499) 7.457 9.661 ( 20.833 -1.838 -2.677) 21.085 9.930 ( -1.049 2.985 2.312) 3.919 9.978 ( 1.002 4.834 -0.706) 4.987 10.153 ( 1.314 0.189 9.160) 9.256 10.341 ( 1.022 1.014 -1.090) 1.806 10.672 ( 1.362 14.050 -2.009) 14.258 10.848 ( 6.751 4.266 5.779) 9.858 11.064 ( -4.064 -3.976 2.021) 6.034 11.156 ( -7.349 -1.343 1.723) 7.667 11.365 ( -10.536 0.812 9.087) 13.937 11.431 ( -1.271 -0.389 6.824) 6.952 11.539 ( -5.831 -0.096 0.566) 5.859 11.747 ( -5.196 -7.872 -4.336) 10.381 11.964 ( 5.041 -2.156 -7.772) 9.512 12.462 ( -5.989 -1.608 5.217) 8.104 12.506 ( -10.989 -6.925 -1.873) 13.124 12.622 ( -7.315 1.855 -8.394) 11.288 12.877 ( -3.646 4.717 -12.923) 14.232 13.147 ( -7.751 3.985 -1.475) 8.839 13.321 ( -3.211 0.093 5.767) 6.601 13.576 ( 13.644 -7.225 -0.050) 15.439 13.789 ( 0.425 1.415 -3.564) 3.858 13.973 ( 11.289 -6.060 -5.449) 13.923 14.247 ( 22.389 -9.335 -5.231) 24.815 14.392 ( 5.891 -0.255 -2.662) 6.470 14.786 ( 0.003 -0.982 -4.161) 4.275 14.890 ( 5.087 -5.265 -0.072) 7.321 14.985 ( 6.602 7.294 -8.242) 12.834 15.282 ( 2.859 -3.398 -2.439) 5.067 15.399 ( 1.834 -0.336 4.093) 4.498 15.457 ( 0.100 2.963 7.376) 7.950 15.690 ( -3.671 -4.206 9.762) 11.245 15.977 ( 1.327 5.197 5.723) 7.844 16.206 ( -0.028 3.787 -6.216) 7.279 16.387 ( -2.489 6.613 -2.103) 7.373 16.933 ( -9.547 0.389 0.241) 9.558 17.108 ( -3.111 1.148 -8.654) 9.267 17.231 ( -16.526 9.451 -3.506) 19.358 17.678 ( -7.750 8.627 0.190) 11.598 17.922 ( 0.798 -0.676 0.937) 1.404 18.002 ( 3.432 4.254 -1.547) 5.681 18.112 ( 0.738 -0.707 11.865) 11.909 18.698 ( -1.242 -3.228 0.425) 3.485 18.858 ( 8.330 -1.011 5.719) 10.155 19.864 ( 6.726 -5.051 -12.513) 15.077 20.376 ( 8.644 -8.117 11.457) 16.489 20.924 ( 5.615 -8.393 -3.822) 10.797 21.157 ( -0.125 -2.421 0.906) 2.588 21.337 ( -2.498 0.158 4.034) 4.747 21.718 ( -3.151 1.169 1.281) 3.597 21.882 ( -5.310 9.905 -2.516) 11.517 ======================= Grid point 92 (33/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 30.263 22.166 2.439) 37.592 1.904 ( 25.773 24.989 13.978) 38.524 3.333 ( 55.182 13.688 28.058) 63.400 3.620 ( 2.965 1.470 -21.008) 21.267 3.813 ( 5.771 4.164 -10.989) 13.092 4.036 ( -12.992 6.377 -0.457) 14.480 4.158 ( -7.420 1.170 -8.204) 11.124 4.322 ( -2.878 5.491 -7.709) 9.892 4.394 ( 1.375 2.099 -1.575) 2.963 4.466 ( -2.895 3.494 -1.123) 4.674 4.704 ( 0.875 -0.212 -3.777) 3.883 5.268 ( -4.422 -3.178 -6.390) 8.395 5.319 ( 6.992 -1.353 3.157) 7.790 5.344 ( -1.593 1.334 2.795) 3.483 5.492 ( 9.803 -2.196 1.088) 10.105 5.650 ( 3.711 -5.175 -0.941) 6.437 5.694 ( 4.676 -0.203 2.739) 5.423 5.915 ( 9.763 -3.477 3.296) 10.875 6.129 ( 4.463 -1.183 -6.029) 7.594 6.224 ( 13.980 -6.365 -3.592) 15.775 6.546 ( 11.122 3.259 6.352) 13.216 6.647 ( 10.610 6.482 -5.993) 13.802 7.120 ( 5.028 -1.542 -4.416) 6.867 7.439 ( -3.233 -4.545 -5.570) 7.882 7.684 ( -0.346 2.028 2.172) 2.991 7.948 ( -7.322 4.634 8.746) 12.311 8.258 ( -9.289 3.524 2.743) 10.307 8.333 ( -0.529 4.540 -3.701) 5.881 8.708 ( -1.816 7.282 8.684) 11.478 8.945 ( -2.731 -1.532 4.258) 5.285 9.028 ( 1.753 5.382 -0.060) 5.661 9.236 ( -4.851 11.508 -0.115) 12.489 9.649 ( 6.514 -1.753 1.764) 6.973 9.856 ( -2.542 0.583 4.592) 5.281 9.962 ( 8.394 -0.195 1.968) 8.624 10.015 ( 0.885 7.961 0.461) 8.023 10.255 ( 5.336 -3.334 0.750) 6.337 10.447 ( 13.623 0.919 -2.512) 13.883 10.733 ( 4.146 5.725 -1.574) 7.242 10.953 ( -6.044 1.428 1.126) 6.312 10.962 ( -5.324 -1.801 2.455) 6.133 11.020 ( 3.309 2.274 4.160) 5.781 11.207 ( -3.953 5.586 10.719) 12.717 11.404 ( -1.767 -1.724 4.533) 5.162 11.471 ( -2.307 -0.711 4.361) 4.985 11.614 ( -7.585 -6.469 -3.947) 10.721 12.023 ( 1.194 -2.899 -7.523) 8.150 12.257 ( -13.912 -5.642 2.645) 15.244 12.436 ( -2.218 -1.101 -0.739) 2.584 12.479 ( -4.100 2.725 -12.409) 13.350 12.697 ( -14.253 4.448 -4.159) 15.499 13.084 ( -1.020 5.777 -3.707) 6.940 13.284 ( 1.676 4.465 3.922) 6.174 13.794 ( 4.013 -1.577 -3.832) 5.768 13.827 ( 8.922 -2.711 -0.984) 9.377 14.151 ( 8.191 -3.486 -7.557) 11.677 14.443 ( 0.187 -1.871 -0.372) 1.917 14.613 ( 13.283 -7.309 -7.777) 17.040 14.797 ( 2.738 -1.845 -1.801) 3.761 15.063 ( 9.103 -4.064 -4.256) 10.840 15.122 ( 7.715 1.955 -3.854) 8.842 15.271 ( -2.075 -5.247 -1.106) 5.750 15.450 ( -0.439 4.285 6.670) 7.939 15.495 ( 3.167 6.727 6.188) 9.673 15.664 ( 4.367 -5.645 3.699) 8.039 15.996 ( 0.516 5.580 1.799) 5.886 16.213 ( 0.902 6.586 -3.906) 7.711 16.339 ( -2.004 1.644 -0.517) 2.643 16.761 ( -7.969 0.815 4.007) 8.957 16.923 ( -13.464 6.698 -4.431) 15.677 17.002 ( -8.310 5.862 0.551) 10.185 17.546 ( -7.883 2.988 -1.238) 8.521 17.941 ( 1.669 -2.250 0.369) 2.826 18.043 ( 2.001 2.722 -1.632) 3.752 18.178 ( 4.898 -0.564 10.185) 11.316 18.652 ( -3.622 -3.626 1.978) 5.494 19.082 ( 14.746 0.714 3.579) 15.191 19.980 ( 5.312 -1.493 -13.833) 14.893 20.518 ( 5.772 -3.375 10.286) 12.268 20.981 ( -1.071 -12.067 -1.309) 12.185 21.159 ( 0.991 -3.698 -0.412) 3.851 21.310 ( -0.310 2.231 -3.233) 3.941 21.629 ( -4.743 2.708 5.079) 7.458 21.818 ( -1.847 4.513 0.310) 4.886 ======================= Grid point 93 (34/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 24.855 25.998 9.754) 37.267 2.494 ( 33.987 10.145 -2.693) 35.571 3.593 ( -15.638 6.330 -4.433) 17.443 3.739 ( -0.793 3.193 -12.330) 12.762 3.923 ( -2.465 4.433 -8.543) 9.935 3.993 ( -7.237 4.874 -8.678) 12.306 4.180 ( 10.884 6.347 -5.053) 13.575 4.308 ( 4.477 3.586 -5.659) 8.058 4.344 ( -3.888 5.556 -13.820) 15.394 4.551 ( 21.986 4.279 11.363) 25.116 4.683 ( -1.465 6.138 -2.937) 6.960 5.238 ( 6.297 -4.837 1.616) 8.103 5.372 ( 1.390 -1.967 1.649) 2.919 5.417 ( 3.423 -1.205 5.078) 6.242 5.627 ( 5.188 -2.969 4.990) 7.787 5.722 ( 3.694 -3.775 0.367) 5.295 5.814 ( 5.252 3.045 1.317) 6.212 6.154 ( 10.936 -6.423 -3.555) 13.172 6.260 ( 12.539 3.139 -3.879) 13.496 6.497 ( 13.634 -8.703 5.269) 17.012 6.735 ( 8.365 6.904 12.252) 16.363 6.872 ( 11.907 2.171 -7.623) 14.303 7.125 ( -6.931 -6.414 4.150) 10.315 7.400 ( 0.116 -7.376 -6.174) 9.620 7.668 ( -2.571 -1.068 0.901) 2.927 7.826 ( -4.008 2.622 5.199) 7.068 8.022 ( -13.886 5.386 2.964) 15.186 8.290 ( -3.835 5.151 -4.123) 7.631 8.685 ( -0.585 8.445 7.208) 11.118 8.869 ( -4.845 0.018 -2.020) 5.249 9.066 ( 1.807 6.113 -2.242) 6.758 9.154 ( -3.216 10.189 0.654) 10.704 9.718 ( 1.752 -5.713 2.592) 6.513 9.830 ( -0.757 -1.619 5.966) 6.228 10.025 ( 1.855 5.875 0.568) 6.187 10.093 ( 5.252 4.471 1.778) 7.123 10.318 ( 2.637 0.467 -4.125) 4.918 10.591 ( -6.915 0.622 -1.748) 7.160 10.719 ( -5.593 -5.411 4.583) 9.031 10.863 ( -4.039 1.636 1.028) 4.478 10.954 ( 11.579 2.430 2.430) 12.078 11.160 ( 8.776 2.048 0.629) 9.033 11.253 ( 7.960 5.697 4.540) 10.791 11.370 ( -1.462 -3.291 1.505) 3.903 11.454 ( 0.356 -2.148 4.388) 4.898 11.512 ( -1.286 -0.169 3.152) 3.408 11.971 ( -12.770 -4.566 4.514) 14.294 12.032 ( -3.200 -3.542 -7.155) 8.600 12.272 ( -10.023 1.652 -10.640) 14.711 12.427 ( -12.833 7.344 -3.056) 15.098 12.556 ( 6.378 -1.387 -1.761) 6.761 13.017 ( -5.511 3.469 -1.453) 6.673 13.396 ( 8.463 7.476 0.693) 11.313 13.795 ( -1.902 4.726 -2.982) 5.903 14.041 ( 10.560 -7.431 -3.228) 13.310 14.270 ( 3.865 -1.736 -8.052) 9.099 14.448 ( 1.859 -0.775 1.221) 2.355 14.763 ( 4.932 -0.635 -7.057) 8.633 14.901 ( 5.920 -5.351 -3.401) 8.675 15.091 ( -4.417 -1.804 -1.343) 4.957 15.231 ( 1.190 -2.427 2.233) 3.506 15.313 ( 6.294 -3.548 2.701) 7.713 15.447 ( 1.009 6.206 4.965) 8.011 15.509 ( 0.572 5.611 2.975) 6.376 15.817 ( 7.629 0.481 -1.640) 7.818 16.000 ( 0.189 6.715 -1.915) 6.986 16.237 ( 1.519 4.184 -3.374) 5.585 16.334 ( 1.903 -0.282 -0.721) 2.054 16.628 ( -7.281 1.650 -1.856) 7.693 16.713 ( -8.707 1.733 -2.999) 9.371 16.864 ( -4.001 6.403 9.076) 11.807 17.365 ( -11.027 0.848 1.060) 11.110 17.991 ( 3.390 -3.321 0.139) 4.748 18.090 ( 2.507 1.031 -2.049) 3.398 18.261 ( 3.720 -1.264 7.631) 8.583 18.566 ( -5.225 -3.462 2.948) 6.927 19.392 ( 17.361 1.671 2.459) 17.614 20.046 ( 0.722 0.737 -8.523) 8.585 20.586 ( 1.647 -2.238 2.636) 3.830 20.914 ( -4.526 -7.909 -3.355) 9.711 21.184 ( 1.021 -3.879 2.289) 4.618 21.296 ( -1.449 0.784 -3.743) 4.089 21.594 ( 1.420 0.615 6.952) 7.122 21.786 ( -1.943 1.949 0.745) 2.852 ======================= Grid point 94 (35/100) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 25.080 20.079 7.919) 33.089 3.072 ( 9.968 9.884 -1.339) 14.102 3.216 ( -3.772 9.056 -1.603) 9.940 3.640 ( -21.328 3.247 -8.462) 23.174 3.837 ( 6.191 3.477 -13.643) 15.381 3.951 ( -3.786 5.039 -8.091) 10.256 4.173 ( -1.728 2.998 -18.802) 19.118 4.270 ( -0.639 7.456 -11.316) 13.567 4.349 ( -0.368 3.952 -13.022) 13.614 4.462 ( -6.909 7.587 -7.089) 12.472 5.217 ( 20.113 0.785 7.801) 21.587 5.372 ( -1.151 -4.393 -0.718) 4.598 5.390 ( 6.125 -2.505 6.147) 9.032 5.452 ( -0.029 -1.812 5.119) 5.430 5.726 ( 2.984 -1.498 5.986) 6.854 5.816 ( 4.315 1.005 5.642) 7.174 5.937 ( 16.003 1.485 4.378) 16.658 6.232 ( -3.464 -2.149 -2.731) 4.906 6.492 ( 6.778 0.422 -0.928) 6.854 6.675 ( -8.640 -2.864 10.776) 14.106 6.796 ( 4.926 -1.265 8.983) 10.323 6.884 ( -0.539 2.419 6.603) 7.052 7.190 ( 13.370 -3.730 -3.597) 14.339 7.401 ( -3.889 -3.702 -3.439) 6.376 7.547 ( -4.439 -5.908 6.598) 9.907 7.672 ( -12.447 -4.941 3.809) 13.923 7.974 ( 7.464 4.719 -5.460) 10.382 8.188 ( -6.602 5.716 -2.869) 9.192 8.698 ( 2.276 8.237 2.246) 8.836 8.773 ( -4.928 5.063 -2.338) 7.443 9.083 ( 0.031 6.373 -2.987) 7.038 9.124 ( -0.248 7.344 -2.096) 7.641 9.744 ( 1.053 -6.989 4.198) 8.221 9.810 ( -1.100 -3.149 5.299) 6.262 10.084 ( 3.431 2.718 -4.443) 6.237 10.191 ( 5.551 5.153 0.436) 7.587 10.344 ( -0.391 1.344 -4.757) 4.958 10.391 ( -10.145 2.207 1.026) 10.433 10.634 ( -1.798 -2.547 7.156) 7.806 10.760 ( -4.615 2.187 4.914) 7.087 11.180 ( 7.652 1.971 -0.414) 7.912 11.268 ( 2.845 3.267 1.610) 4.621 11.353 ( 0.028 -2.663 1.132) 2.894 11.368 ( 0.221 -3.990 -0.394) 4.015 11.522 ( 7.104 -2.473 5.310) 9.207 11.641 ( 13.500 4.232 5.169) 15.063 11.731 ( -9.810 -2.383 7.079) 12.329 11.928 ( -11.098 -2.108 -2.310) 11.530 12.112 ( -4.440 2.231 -9.314) 10.557 12.253 ( -4.849 6.496 -7.828) 11.269 12.673 ( 4.895 -2.921 -3.682) 6.786 12.909 ( -4.775 3.304 0.055) 5.807 13.558 ( 7.652 7.254 -1.186) 10.611 13.725 ( -5.072 8.418 -1.215) 9.902 14.178 ( 3.510 -7.562 -5.105) 9.776 14.297 ( -0.126 -4.266 -4.433) 6.154 14.553 ( 7.690 0.595 -2.519) 8.114 14.803 ( -2.540 4.090 -4.400) 6.522 14.947 ( -0.366 -4.837 -2.361) 5.395 15.022 ( -0.599 -2.360 -2.927) 3.808 15.248 ( 0.713 -2.237 6.659) 7.061 15.371 ( 0.632 -2.624 8.031) 8.472 15.488 ( 1.853 6.222 -0.140) 6.493 15.528 ( 1.045 3.740 0.859) 3.977 15.900 ( 1.768 4.919 -3.099) 6.077 15.998 ( -0.565 7.742 -2.254) 8.084 16.289 ( 3.687 -0.246 -4.133) 5.544 16.403 ( 4.629 0.606 -2.853) 5.471 16.484 ( -6.316 4.299 -4.301) 8.768 16.562 ( -6.986 2.244 -2.917) 7.896 16.907 ( 6.980 0.055 10.337) 12.473 17.149 ( -10.722 1.028 5.852) 12.258 18.053 ( 2.563 -3.284 -0.869) 4.256 18.118 ( 0.239 -0.099 -1.284) 1.310 18.329 ( 3.481 -3.628 4.928) 7.040 18.466 ( -4.675 -1.904 4.500) 6.762 19.713 ( 15.581 1.782 1.517) 15.756 19.971 ( -8.812 2.325 -0.381) 9.122 20.611 ( 1.394 -5.444 -8.810) 10.450 20.835 ( -3.157 -1.166 -6.787) 7.575 21.194 ( 0.223 -3.503 5.177) 6.255 21.272 ( -0.703 -2.043 3.461) 4.080 21.654 ( 3.841 -0.322 3.200) 5.010 21.738 ( -3.005 0.989 1.753) 3.617 ======================= Grid point 99 (36/100) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 23.995 24.000) 33.937 1.634 ( 0.000 36.412 4.684) 36.712 3.052 ( 0.000 54.377 28.251) 61.278 3.583 ( 0.000 -1.102 -14.570) 14.611 3.732 ( 0.000 6.754 -21.159) 22.210 3.925 ( 0.000 -6.491 3.748) 7.495 4.258 ( 0.000 0.966 -6.134) 6.210 4.397 ( 0.000 -1.888 0.686) 2.009 4.480 ( 0.000 -2.792 -16.126) 16.366 4.581 ( 0.000 -3.682 -4.407) 5.743 4.720 ( 0.000 -2.464 -9.535) 9.848 5.098 ( 0.000 0.456 6.789) 6.804 5.164 ( 0.000 0.190 11.262) 11.264 5.266 ( 0.000 1.232 5.891) 6.019 5.445 ( 0.000 -6.992 1.606) 7.174 5.575 ( 0.000 3.416 5.400) 6.389 5.686 ( 0.000 -2.182 -1.221) 2.501 5.783 ( 0.000 -2.672 -6.203) 6.754 5.942 ( 0.000 -8.775 -7.947) 11.838 5.999 ( 0.000 7.861 -3.683) 8.682 6.211 ( 0.000 2.901 -5.230) 5.981 6.696 ( 0.000 12.818 -7.342) 14.772 7.067 ( 0.000 0.521 0.665) 0.845 7.574 ( 0.000 -0.458 -10.139) 10.150 7.750 ( 0.000 6.218 7.652) 9.859 8.097 ( 0.000 -5.548 13.694) 14.775 8.400 ( 0.000 14.645 -4.188) 15.232 8.479 ( 0.000 4.975 -0.921) 5.060 8.873 ( 0.000 -2.525 5.777) 6.305 9.023 ( 0.000 14.044 7.900) 16.113 9.169 ( 0.000 3.667 5.227) 6.385 9.349 ( 0.000 4.303 0.459) 4.327 9.391 ( 0.000 3.225 -0.299) 3.239 9.811 ( 0.000 20.652 -4.875) 21.220 10.013 ( 0.000 6.399 7.798) 10.087 10.066 ( 0.000 4.306 -2.238) 4.853 10.199 ( 0.000 3.142 4.189) 5.237 10.320 ( 0.000 -1.974 0.587) 2.059 10.877 ( 0.000 4.608 -0.339) 4.620 10.901 ( 0.000 7.344 4.720) 8.730 10.994 ( 0.000 -7.084 1.959) 7.350 11.135 ( 0.000 -4.250 2.555) 4.959 11.408 ( 0.000 -2.255 1.489) 2.702 11.435 ( 0.000 -0.056 5.733) 5.734 11.578 ( 0.000 -11.290 -4.387) 12.112 11.663 ( 0.000 -5.194 3.852) 6.467 11.895 ( 0.000 3.815 -10.250) 10.937 12.414 ( 0.000 -8.222 -6.927) 10.751 12.572 ( 0.000 -3.165 -4.837) 5.780 12.662 ( 0.000 -4.635 20.152) 20.678 13.049 ( 0.000 0.619 -1.882) 1.981 13.122 ( 0.000 6.771 -19.499) 20.641 13.263 ( 0.000 -1.560 4.776) 5.025 13.464 ( 0.000 1.925 -8.538) 8.752 13.756 ( 0.000 -5.058 2.954) 5.857 13.865 ( 0.000 2.585 -3.780) 4.579 13.940 ( 0.000 -1.021 -1.034) 1.453 14.309 ( 0.000 -0.062 -4.051) 4.052 14.616 ( 0.000 -8.684 2.320) 8.988 14.807 ( 0.000 -5.046 0.827) 5.113 15.073 ( 0.000 6.739 -9.981) 12.043 15.165 ( 0.000 -6.156 -4.281) 7.499 15.365 ( 0.000 1.811 7.312) 7.533 15.536 ( 0.000 5.634 7.086) 9.052 15.709 ( 0.000 0.797 11.342) 11.370 16.098 ( 0.000 7.618 4.381) 8.788 16.142 ( 0.000 -6.177 -1.527) 6.363 16.574 ( 0.000 7.068 -5.438) 8.918 17.058 ( 0.000 -2.084 -14.600) 14.748 17.176 ( 0.000 8.592 4.922) 9.902 17.485 ( 0.000 3.197 -10.909) 11.368 17.893 ( 0.000 -1.215 3.596) 3.796 17.933 ( 0.000 0.094 3.721) 3.722 18.126 ( 0.000 0.962 5.932) 6.009 18.145 ( 0.000 14.505 -8.565) 16.845 18.652 ( 0.000 -3.609 -1.386) 3.866 18.716 ( 0.000 -2.210 10.720) 10.946 19.684 ( 0.000 -1.345 -6.119) 6.265 20.098 ( 0.000 -9.213 8.377) 12.452 20.798 ( 0.000 -4.003 -11.162) 11.858 21.149 ( 0.000 1.202 6.296) 6.410 21.357 ( 0.000 -0.373 6.833) 6.843 21.745 ( 0.000 -0.007 2.484) 2.484 22.090 ( 0.000 4.285 -4.130) 5.952 ======================= Grid point 100 (37/100) ======================= q-point: ( 0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 19.754 31.367 1.344) 37.093 1.931 ( 28.286 23.448 16.774) 40.390 3.204 ( 17.175 47.081 26.502) 56.692 3.620 ( 2.743 2.989 -19.776) 20.188 3.794 ( 6.362 5.185 -13.997) 16.226 4.000 ( 6.973 -8.593 3.735) 11.680 4.249 ( -0.552 2.212 -4.763) 5.280 4.393 ( -2.786 0.513 -7.687) 8.193 4.505 ( 4.168 -0.791 -4.563) 6.230 4.566 ( -2.063 2.105 -5.125) 5.912 4.712 ( -1.319 -2.746 -9.026) 9.526 5.100 ( 2.892 -1.636 3.640) 4.928 5.197 ( 3.175 -0.882 9.491) 10.046 5.321 ( 4.605 0.240 3.078) 5.545 5.479 ( 1.588 -3.543 2.056) 4.393 5.589 ( -2.903 0.759 -2.964) 4.217 5.632 ( -1.221 -1.889 4.673) 5.186 5.764 ( 1.336 -1.673 -3.077) 3.749 5.866 ( -0.663 -3.303 -0.565) 3.416 6.144 ( 6.993 3.555 -7.834) 11.087 6.286 ( 9.116 -1.544 -3.482) 9.880 6.730 ( 3.022 11.832 -2.554) 12.476 7.061 ( 0.529 0.178 -3.937) 3.976 7.517 ( -5.333 -0.380 -10.120) 11.446 7.749 ( -0.819 4.429 7.173) 8.470 8.058 ( -3.787 -3.886 13.264) 14.331 8.445 ( -2.038 6.430 -0.522) 6.765 8.468 ( 3.099 11.738 -3.325) 12.588 8.849 ( -1.727 -0.580 4.698) 5.039 9.033 ( -0.206 11.410 8.127) 14.010 9.137 ( -1.257 5.567 2.010) 6.050 9.439 ( 6.556 5.714 0.459) 8.709 9.510 ( 8.760 -0.032 2.771) 9.188 9.827 ( 4.604 15.799 -5.230) 17.267 10.005 ( -3.974 5.240 0.508) 6.596 10.093 ( 4.548 5.660 4.313) 8.445 10.183 ( -0.886 2.827 3.134) 4.312 10.339 ( 2.866 -0.504 0.306) 2.926 10.836 ( -3.886 1.459 0.881) 4.244 10.949 ( -1.019 -3.813 2.636) 4.746 10.964 ( 2.549 3.220 2.444) 4.778 11.106 ( -2.793 -0.817 1.815) 3.430 11.389 ( -1.864 -2.632 1.509) 3.561 11.416 ( -2.449 1.824 5.271) 6.091 11.514 ( -5.923 -7.677 -2.889) 10.117 11.597 ( -4.861 -2.441 4.653) 7.158 11.929 ( 2.481 -0.530 -8.071) 8.460 12.343 ( -10.351 -9.505 -0.939) 14.084 12.428 ( -3.771 -1.669 4.240) 5.915 12.658 ( -3.598 1.739 -4.370) 5.921 12.963 ( -6.899 3.703 -9.974) 12.680 13.244 ( 0.123 4.720 -6.016) 7.647 13.285 ( 5.839 -3.509 4.351) 8.083 13.486 ( 4.872 -0.470 -2.538) 5.514 13.837 ( 1.702 2.683 -2.931) 4.323 13.879 ( 9.016 -4.760 -2.048) 10.399 14.120 ( 17.074 -3.758 -3.868) 17.906 14.377 ( 3.433 -1.451 -2.153) 4.304 14.700 ( 9.421 -7.273 0.267) 11.905 14.779 ( -1.969 -5.391 0.565) 5.767 15.108 ( 3.268 5.671 -8.564) 10.778 15.172 ( 0.233 -6.424 -3.006) 7.096 15.427 ( 6.764 2.855 6.788) 9.999 15.546 ( 0.990 5.979 6.822) 9.125 15.680 ( -2.783 1.770 9.959) 10.491 16.086 ( -0.624 4.167 1.837) 4.597 16.176 ( 2.859 -2.758 0.946) 4.084 16.541 ( -3.440 7.210 -5.419) 9.653 16.976 ( -7.315 2.127 -8.007) 11.052 17.157 ( -3.042 5.135 -0.673) 6.006 17.380 ( -10.878 5.921 -8.237) 14.874 17.787 ( -9.374 1.621 4.542) 10.542 17.930 ( -0.404 1.457 0.655) 1.648 18.097 ( -1.507 -0.289 7.959) 8.106 18.140 ( 0.114 9.060 -5.226) 10.459 18.609 ( -2.328 -5.768 1.474) 6.392 18.854 ( 11.520 1.570 6.050) 13.106 19.787 ( 8.611 -2.431 -9.401) 12.979 20.200 ( 9.600 -9.923 8.584) 16.258 20.812 ( 1.076 -4.979 -8.423) 9.843 21.132 ( -1.990 0.310 5.211) 5.586 21.342 ( -0.928 0.096 4.735) 4.826 21.720 ( -2.743 -0.345 2.795) 3.931 22.026 ( -5.780 5.280 -2.829) 8.324 ======================= Grid point 101 (38/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 27.406 25.695 -5.375) 37.950 2.449 ( 23.096 26.475 13.605) 37.676 3.633 ( 9.866 5.628 -17.057) 20.493 3.780 ( 30.220 24.362 13.744) 41.179 3.903 ( 3.315 4.965 -6.485) 8.815 4.089 ( 0.136 -4.199 -2.586) 4.933 4.181 ( -7.075 5.499 -0.759) 8.993 4.437 ( 8.045 1.205 -2.860) 8.622 4.512 ( -1.743 11.981 -10.182) 15.819 4.556 ( -1.710 5.260 -0.760) 5.583 4.672 ( 0.643 -2.855 -4.486) 5.356 5.205 ( 0.820 -2.701 -3.557) 4.541 5.294 ( 5.830 -0.820 5.620) 8.139 5.357 ( -2.153 -1.242 0.414) 2.520 5.440 ( 5.391 -3.408 -2.130) 6.724 5.568 ( 0.702 -0.768 -0.775) 1.297 5.702 ( 7.119 0.733 6.282) 9.523 5.859 ( 6.867 -2.789 6.632) 9.945 5.963 ( 11.324 -10.570 0.294) 15.493 6.256 ( 6.037 5.694 -9.032) 12.265 6.528 ( 14.939 -4.097 -1.595) 15.573 6.794 ( 3.793 7.520 4.633) 9.612 7.096 ( 1.614 -1.550 -8.347) 8.642 7.400 ( -6.299 -0.923 -11.515) 13.158 7.703 ( -3.829 1.211 6.135) 7.332 7.961 ( -6.402 -2.379 12.353) 14.115 8.342 ( -8.223 4.860 1.959) 9.750 8.505 ( -0.414 12.448 -1.857) 12.593 8.829 ( -0.319 -0.240 2.567) 2.598 8.989 ( -3.838 10.471 4.747) 12.121 9.152 ( 2.193 6.920 2.067) 7.548 9.498 ( -1.548 13.757 0.320) 13.847 9.608 ( 2.684 -1.819 3.636) 4.871 9.894 ( -5.685 3.111 3.316) 7.279 10.007 ( 8.299 5.177 -2.129) 10.011 10.163 ( 2.373 5.059 0.129) 5.589 10.210 ( 4.852 -0.438 0.249) 4.878 10.483 ( 12.611 2.989 -0.748) 12.982 10.734 ( -6.997 -5.137 3.874) 9.506 10.875 ( -3.153 -5.522 0.996) 6.437 11.033 ( -4.037 4.987 -0.099) 6.417 11.083 ( 6.226 4.500 -0.042) 7.682 11.335 ( -3.603 -3.494 -0.448) 5.039 11.360 ( -1.346 6.646 6.387) 9.315 11.410 ( -4.763 -7.772 -0.523) 9.130 11.534 ( -1.006 1.313 7.806) 7.980 11.957 ( -0.042 -3.644 -5.162) 6.319 12.119 ( -11.910 -8.056 1.376) 14.444 12.410 ( -0.891 -1.106 2.017) 2.466 12.544 ( -5.731 3.536 -12.776) 14.443 12.790 ( -11.106 4.616 -3.642) 12.566 13.208 ( -4.517 5.522 -6.885) 9.914 13.383 ( 7.773 5.426 1.908) 9.670 13.654 ( 10.809 -7.910 2.094) 13.557 13.884 ( 3.439 4.824 -1.486) 6.108 14.089 ( 10.428 -2.771 -7.805) 13.317 14.395 ( 1.502 -2.806 0.680) 3.254 14.475 ( 15.859 -6.041 -6.135) 18.046 14.751 ( 0.657 -3.594 -0.020) 3.653 14.928 ( 10.647 -8.359 -3.299) 13.932 15.163 ( 1.194 -2.560 -0.303) 2.841 15.189 ( 3.369 1.584 -3.103) 4.847 15.562 ( 1.885 7.109 5.429) 9.142 15.619 ( 2.431 0.669 6.072) 6.575 15.627 ( 6.981 6.093 5.220) 10.635 16.087 ( 0.934 3.393 0.144) 3.522 16.241 ( 4.065 -1.055 1.660) 4.515 16.450 ( -5.802 7.231 -5.405) 10.731 16.820 ( -8.551 4.482 -2.398) 9.948 17.029 ( -11.073 4.970 -8.220) 14.659 17.150 ( -10.499 8.314 3.529) 13.850 17.600 ( -10.694 1.793 2.704) 11.176 17.903 ( -1.124 -1.355 -0.275) 1.782 18.089 ( 0.383 1.405 0.738) 1.633 18.175 ( 3.052 0.675 3.503) 4.695 18.553 ( -3.803 -6.407 2.433) 7.838 19.124 ( 16.437 4.262 3.520) 17.342 19.949 ( 7.835 -1.488 -11.821) 14.260 20.398 ( 9.804 -8.947 8.727) 15.885 20.809 ( -2.272 -6.097 -1.648) 6.712 21.089 ( -1.458 -2.741 1.595) 3.490 21.340 ( 0.359 1.031 -1.308) 1.703 21.643 ( -4.780 -0.564 4.762) 6.771 21.917 ( -5.075 4.878 -1.027) 7.114 ======================= Grid point 102 (39/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 28.972 20.176 -5.121) 35.674 2.825 ( 18.508 25.468 9.461) 32.874 3.703 ( -2.595 4.699 -13.395) 14.431 3.840 ( -4.371 6.021 -7.478) 10.549 4.027 ( -10.203 3.653 -1.347) 10.921 4.066 ( 1.212 4.417 -3.950) 6.048 4.338 ( 7.410 9.313 -10.797) 16.069 4.415 ( -4.671 7.074 -5.832) 10.289 4.496 ( -1.916 8.579 -5.199) 10.213 4.673 ( 12.671 7.295 -1.975) 14.754 4.837 ( 19.095 8.939 7.157) 22.266 5.128 ( 1.079 -3.386 -1.894) 4.027 5.338 ( 0.716 -1.028 4.142) 4.327 5.401 ( 2.692 -0.350 2.022) 3.385 5.596 ( 3.862 -1.579 5.281) 6.730 5.614 ( 7.629 -5.228 0.224) 9.251 5.865 ( 7.449 1.227 3.844) 8.471 6.036 ( 11.800 -4.927 -0.382) 12.793 6.252 ( 18.650 -10.220 3.856) 21.613 6.391 ( 8.197 4.221 -6.858) 11.491 6.820 ( 14.810 -2.500 0.895) 15.046 6.878 ( 5.317 1.380 2.916) 6.219 7.023 ( -10.964 -3.539 0.709) 11.543 7.304 ( -3.676 -3.371 -9.993) 11.169 7.618 ( -5.708 -1.597 2.798) 6.555 7.812 ( -9.747 -3.099 10.657) 14.771 8.155 ( -9.330 7.172 0.235) 11.770 8.456 ( -4.440 10.983 -0.277) 11.850 8.830 ( 0.002 -2.088 -0.338) 2.115 8.916 ( -3.036 13.064 2.249) 13.600 9.202 ( 2.861 7.293 2.025) 8.092 9.427 ( -4.988 16.087 0.328) 16.846 9.622 ( -0.471 -3.992 2.584) 4.778 9.801 ( -3.672 -0.991 6.442) 7.481 10.074 ( 0.746 0.793 -1.361) 1.743 10.213 ( 3.098 5.283 0.584) 6.152 10.320 ( 3.126 -1.221 -3.670) 4.973 10.590 ( -6.242 -5.222 4.171) 9.145 10.639 ( -1.035 2.141 2.551) 3.487 10.901 ( 0.886 2.104 -2.298) 3.239 10.995 ( 7.219 1.748 1.779) 7.637 11.199 ( 5.078 1.681 -2.698) 5.991 11.281 ( -1.280 -4.130 -0.387) 4.341 11.347 ( -0.980 -5.113 0.432) 5.224 11.398 ( 4.242 5.819 6.074) 9.421 11.573 ( 5.601 4.716 8.053) 10.883 11.857 ( -10.704 -6.812 4.890) 13.598 11.971 ( -3.035 -2.587 -6.470) 7.600 12.298 ( -8.610 0.817 -6.762) 10.979 12.512 ( -5.609 0.813 -2.188) 6.076 12.608 ( -1.807 7.004 -6.283) 9.581 13.091 ( -7.106 3.719 -4.656) 9.273 13.565 ( 10.215 8.997 0.512) 13.622 13.854 ( 9.256 -7.353 0.356) 11.826 13.944 ( 2.616 6.469 0.687) 7.012 14.200 ( 0.645 -4.748 -5.599) 7.370 14.452 ( 5.760 0.979 -1.269) 5.979 14.715 ( 9.529 -4.169 -7.555) 12.855 14.812 ( 4.667 -3.829 -2.548) 6.553 15.012 ( -0.966 -5.219 -3.713) 6.477 15.227 ( 3.330 -2.680 4.703) 6.356 15.248 ( 3.183 0.882 2.213) 3.976 15.574 ( 0.477 5.900 3.645) 6.952 15.609 ( 0.934 5.872 3.542) 6.921 15.874 ( 12.324 4.359 -0.894) 13.103 16.128 ( 3.481 6.030 -0.787) 7.007 16.328 ( 3.786 -0.125 0.346) 3.804 16.341 ( -3.731 6.220 -5.390) 9.037 16.673 ( -6.554 3.689 0.320) 7.528 16.796 ( -11.727 5.754 -7.829) 15.229 16.992 ( -6.619 6.726 7.640) 12.142 17.378 ( -12.425 0.225 2.809) 12.741 17.914 ( 2.174 -4.456 0.443) 4.978 18.105 ( 0.948 0.553 -1.710) 2.032 18.221 ( 1.317 -2.970 3.953) 5.117 18.472 ( -4.333 -6.092 3.528) 8.267 19.454 ( 17.877 5.110 2.169) 18.720 20.062 ( 3.274 0.836 -9.425) 10.012 20.525 ( 2.512 -4.622 6.097) 8.052 20.740 ( -2.984 -8.526 0.791) 9.068 21.096 ( 1.842 -4.945 1.015) 5.374 21.316 ( -3.730 1.186 -5.601) 6.833 21.591 ( 0.535 -0.813 6.364) 6.438 21.834 ( -3.976 2.730 -0.025) 4.823 ======================= Grid point 103 (40/100) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 17.297 24.385 6.168) 30.526 3.264 ( 25.786 10.261 -5.110) 28.219 3.474 ( -14.841 15.101 2.609) 21.333 3.733 ( -20.146 6.531 -3.466) 21.460 3.913 ( 6.022 4.245 -14.077) 15.889 4.066 ( -2.585 6.277 -5.704) 8.866 4.259 ( -3.542 5.326 -13.373) 14.824 4.416 ( -0.892 6.184 -9.964) 11.761 4.478 ( 0.324 9.533 -7.187) 11.943 4.664 ( -3.427 12.168 -8.249) 15.094 5.172 ( 6.514 -8.487 2.302) 10.944 5.283 ( 4.956 0.306 1.093) 5.085 5.368 ( 4.063 -0.537 1.680) 4.430 5.422 ( -0.684 -0.541 0.995) 1.323 5.688 ( 1.910 -2.677 6.302) 7.108 5.837 ( 15.357 1.681 9.175) 17.968 5.987 ( 11.414 3.211 7.043) 13.791 6.202 ( 3.532 -0.352 -4.531) 5.756 6.505 ( 3.175 -4.351 0.091) 5.387 6.590 ( 1.027 -2.612 4.725) 5.496 6.739 ( -4.742 -1.876 0.174) 5.103 6.943 ( 2.078 2.633 5.152) 6.148 7.073 ( 7.981 -9.890 -8.928) 15.531 7.308 ( 6.388 -6.058 2.627) 9.188 7.438 ( -11.557 -2.548 5.895) 13.221 7.573 ( -14.079 -4.061 9.955) 17.715 8.089 ( 1.308 7.199 -6.559) 9.827 8.363 ( -4.100 10.286 0.146) 11.074 8.817 ( -0.908 2.912 -2.691) 4.068 8.894 ( 0.102 7.979 0.541) 7.998 9.252 ( 2.215 9.804 1.021) 10.102 9.334 ( -3.919 13.386 0.594) 13.961 9.614 ( -0.242 -6.024 3.448) 6.945 9.759 ( -0.947 -1.492 7.231) 7.444 10.088 ( 1.010 -1.396 -4.849) 5.146 10.281 ( -0.198 -2.246 0.793) 2.390 10.292 ( 1.168 -1.028 -0.445) 1.618 10.451 ( -7.310 1.663 2.649) 7.951 10.673 ( 4.263 6.560 3.701) 8.655 10.819 ( -5.051 4.691 1.786) 7.121 11.182 ( 4.750 -3.575 -3.404) 6.850 11.223 ( -0.359 -5.204 -0.905) 5.294 11.310 ( 3.230 -0.344 1.329) 3.509 11.407 ( 4.098 4.692 5.046) 8.017 11.464 ( 3.368 -2.648 2.955) 5.204 11.660 ( -6.569 -3.149 8.090) 10.887 11.749 ( 8.167 5.486 -0.225) 9.841 11.913 ( -3.203 0.578 -3.539) 4.809 12.158 ( -5.103 1.835 -6.805) 8.702 12.336 ( -7.464 1.157 -2.337) 7.906 12.676 ( 3.859 3.883 -8.854) 10.410 12.967 ( -4.857 2.665 -1.830) 5.834 13.729 ( 5.816 9.856 -1.507) 11.542 13.938 ( 0.129 11.541 1.836) 11.687 14.016 ( 4.250 -7.999 0.069) 9.059 14.162 ( -2.954 -8.358 0.300) 8.870 14.575 ( 5.484 0.913 -8.004) 9.746 14.838 ( 0.186 -3.532 -3.444) 4.937 14.883 ( 5.541 0.070 -6.199) 8.314 14.971 ( -2.696 -1.038 -4.447) 5.303 15.240 ( -0.164 0.938 6.862) 6.928 15.303 ( 1.433 -3.649 7.194) 8.192 15.596 ( 1.091 3.776 1.189) 4.106 15.624 ( 0.417 6.585 2.904) 7.209 16.030 ( 3.734 7.554 -5.074) 9.836 16.184 ( 0.901 10.919 -4.568) 11.870 16.300 ( 1.300 1.797 -1.171) 2.509 16.430 ( 4.765 2.151 -3.938) 6.545 16.578 ( -3.452 4.519 1.502) 5.882 16.616 ( -6.570 3.834 -6.223) 9.828 16.927 ( 0.350 2.231 8.108) 8.417 17.160 ( -8.983 -0.174 6.340) 10.996 17.968 ( 2.615 -5.444 -0.779) 6.090 18.110 ( -0.544 -0.751 0.145) 0.939 18.229 ( -0.005 -6.484 1.600) 6.678 18.408 ( -1.963 -4.101 4.582) 6.455 19.775 ( 14.881 4.855 0.813) 15.674 20.031 ( -6.846 3.763 -1.370) 7.931 20.514 ( -1.253 -4.349 -3.867) 5.953 20.732 ( 0.690 -8.862 1.144) 8.962 21.143 ( 2.906 -3.043 1.827) 4.587 21.224 ( -4.763 -1.718 -0.963) 5.154 21.645 ( 3.679 -0.506 2.099) 4.266 21.760 ( -3.618 1.086 1.378) 4.020 ======================= Grid point 108 (41/100) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.000 26.758 15.824) 31.087 2.332 ( 0.000 35.213 -2.364) 35.292 3.411 ( 0.000 -16.898 -1.362) 16.953 3.780 ( 0.000 10.060 -15.847) 18.770 3.901 ( 0.000 4.389 -8.949) 9.967 3.946 ( 0.000 11.413 -6.878) 13.325 4.232 ( 0.000 -4.963 -15.796) 16.557 4.333 ( 0.000 -4.763 -3.857) 6.129 4.474 ( 0.000 18.246 10.178) 20.893 4.524 ( 0.000 -1.982 -5.465) 5.813 4.659 ( 0.000 -3.959 -10.412) 11.139 5.119 ( 0.000 1.203 6.451) 6.563 5.215 ( 0.000 3.989 11.600) 12.266 5.285 ( 0.000 0.770 5.465) 5.520 5.346 ( 0.000 -2.366 5.346) 5.846 5.626 ( 0.000 1.536 6.380) 6.562 5.647 ( 0.000 -1.499 2.728) 3.113 5.751 ( 0.000 -1.869 2.091) 2.805 5.769 ( 0.000 -8.752 -2.839) 9.201 6.127 ( 0.000 6.190 -11.485) 13.047 6.348 ( 0.000 9.459 -3.136) 9.965 6.895 ( 0.000 6.879 -2.454) 7.304 7.037 ( 0.000 -4.071 2.107) 4.584 7.438 ( 0.000 -12.057 -6.431) 13.665 7.871 ( 0.000 5.786 7.684) 9.619 8.100 ( 0.000 5.413 8.792) 10.325 8.571 ( 0.000 4.073 -2.784) 4.934 8.666 ( 0.000 11.833 -5.127) 12.895 8.832 ( 0.000 -1.262 3.818) 4.021 9.225 ( 0.000 1.800 0.023) 1.800 9.292 ( 0.000 12.922 8.531) 15.484 9.447 ( 0.000 4.135 -0.509) 4.166 9.452 ( 0.000 4.465 -0.020) 4.465 10.122 ( 0.000 0.323 1.359) 1.397 10.147 ( 0.000 6.319 6.558) 9.107 10.218 ( 0.000 20.121 -6.176) 21.047 10.255 ( 0.000 1.760 -1.578) 2.364 10.311 ( 0.000 3.789 2.125) 4.344 10.795 ( 0.000 -9.971 5.852) 11.561 10.830 ( 0.000 -8.448 2.297) 8.755 11.044 ( 0.000 5.530 -0.635) 5.566 11.170 ( 0.000 5.162 -0.656) 5.204 11.343 ( 0.000 -9.239 -1.448) 9.351 11.372 ( 0.000 -3.753 0.496) 3.786 11.431 ( 0.000 -0.473 4.826) 4.849 11.564 ( 0.000 -4.204 7.900) 8.949 11.970 ( 0.000 2.599 -5.384) 5.979 12.240 ( 0.000 -9.078 -5.623) 10.678 12.517 ( 0.000 -2.351 -3.372) 4.111 12.654 ( 0.000 4.231 13.410) 14.062 13.063 ( 0.000 0.790 -1.430) 1.634 13.216 ( 0.000 -2.773 5.807) 6.435 13.224 ( 0.000 1.222 -19.400) 19.438 13.516 ( 0.000 2.736 -12.758) 13.048 13.611 ( 0.000 -6.177 -2.503) 6.664 13.909 ( 0.000 2.015 -5.742) 6.085 13.974 ( 0.000 2.736 0.746) 2.836 14.275 ( 0.000 -3.514 -1.508) 3.824 14.471 ( 0.000 -5.941 6.626) 8.899 14.699 ( 0.000 -5.764 1.787) 6.034 15.070 ( 0.000 -2.549 -0.087) 2.550 15.179 ( 0.000 3.708 -7.510) 8.376 15.442 ( 0.000 6.089 5.474) 8.187 15.655 ( 0.000 6.113 5.185) 8.016 15.729 ( 0.000 0.790 10.240) 10.271 16.000 ( 0.000 -8.277 -0.620) 8.300 16.233 ( 0.000 5.937 2.620) 6.489 16.684 ( 0.000 4.403 -3.442) 5.589 17.014 ( 0.000 -2.288 -11.944) 12.161 17.364 ( 0.000 9.491 -1.122) 9.558 17.535 ( 0.000 2.465 -3.997) 4.695 17.868 ( 0.000 -1.205 3.452) 3.656 17.933 ( 0.000 -0.139 5.650) 5.652 18.159 ( 0.000 2.401 2.354) 3.363 18.316 ( 0.000 1.159 -8.274) 8.355 18.574 ( 0.000 -4.213 -1.557) 4.492 18.793 ( 0.000 12.445 11.353) 16.846 19.678 ( 0.000 -1.041 -6.610) 6.692 19.895 ( 0.000 -11.169 4.411) 12.009 20.709 ( 0.000 -4.670 -15.424) 16.116 21.195 ( 0.000 3.151 8.102) 8.693 21.343 ( 0.000 -1.140 7.469) 7.556 21.744 ( 0.000 -0.025 3.720) 3.720 22.151 ( 0.000 2.229 -2.459) 3.319 ======================= Grid point 109 (42/100) ======================= q-point: ( 0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 25.895 25.597 8.793) 37.458 2.448 ( 13.072 30.025 1.309) 32.773 3.522 ( 9.578 -11.661 -5.804) 16.168 3.807 ( 3.047 1.035 -12.050) 12.472 3.957 ( 6.622 10.827 -8.489) 15.269 3.982 ( 3.155 4.941 -6.285) 8.595 4.242 ( 2.364 -4.507 -11.613) 12.680 4.428 ( -1.837 8.737 2.306) 9.221 4.456 ( 9.738 1.344 -2.298) 10.096 4.619 ( 7.365 5.333 -5.242) 10.496 4.673 ( 1.970 1.224 -3.977) 4.604 5.103 ( -0.723 1.755 4.784) 5.147 5.212 ( 1.219 1.978 9.609) 9.886 5.331 ( 3.231 0.996 4.324) 5.489 5.414 ( 4.516 -2.723 4.916) 7.210 5.527 ( -6.309 -3.766 -1.417) 7.483 5.652 ( 2.136 0.660 7.433) 7.762 5.764 ( 1.842 -1.306 5.462) 5.910 5.794 ( -0.866 -1.945 -2.318) 3.148 6.199 ( 8.056 1.880 -9.135) 12.324 6.359 ( 1.607 8.175 -4.652) 9.542 6.903 ( 0.160 4.932 2.238) 5.418 7.038 ( 0.770 -2.639 -2.811) 3.932 7.393 ( -4.340 -11.534 -6.854) 14.101 7.846 ( -2.849 5.205 8.307) 10.209 8.063 ( -3.820 4.833 8.385) 10.405 8.536 ( -3.685 3.843 -1.926) 5.663 8.720 ( 3.707 11.621 -5.093) 13.219 8.814 ( -1.702 -1.715 3.755) 4.465 9.207 ( -1.155 3.532 -0.560) 3.758 9.298 ( 0.512 12.153 7.799) 14.449 9.515 ( 5.542 2.051 2.186) 6.301 9.553 ( 9.731 4.713 1.627) 10.934 10.100 ( -2.905 2.605 -1.093) 4.052 10.123 ( -1.130 11.024 -1.170) 11.143 10.180 ( -2.036 4.709 0.492) 5.154 10.247 ( -2.561 3.546 -0.341) 4.387 10.385 ( 7.732 7.459 0.302) 10.747 10.747 ( -5.505 -7.785 4.961) 10.748 10.777 ( -3.858 -10.112 3.418) 11.350 11.083 ( 3.773 4.803 -1.820) 6.373 11.175 ( 0.020 5.700 -0.483) 5.721 11.303 ( -3.812 -10.157 -1.811) 10.999 11.325 ( -3.608 -3.641 0.133) 5.128 11.454 ( 1.199 1.719 6.177) 6.523 11.570 ( 0.574 -2.467 7.946) 8.339 11.955 ( -1.661 2.117 -5.271) 5.918 12.158 ( -9.409 -9.064 -1.753) 13.182 12.414 ( -2.976 0.469 2.866) 4.158 12.697 ( -1.203 2.875 -1.857) 3.628 13.017 ( -7.586 1.981 -5.250) 9.436 13.189 ( 5.199 -4.739 -3.947) 8.066 13.296 ( 4.199 -1.455 -1.004) 4.556 13.555 ( 2.179 6.697 -6.967) 9.906 13.782 ( 12.984 -3.942 -5.200) 14.532 13.863 ( 2.526 -0.661 -4.948) 5.594 14.113 ( 11.346 2.452 -2.547) 11.884 14.340 ( 3.184 -2.151 0.012) 3.843 14.537 ( 7.823 -8.758 3.611) 12.286 14.685 ( -0.364 -4.530 2.007) 4.968 15.082 ( 0.949 -2.500 1.403) 3.020 15.203 ( 2.314 3.794 -6.926) 8.230 15.507 ( 6.719 5.626 4.747) 9.966 15.669 ( 1.446 6.200 4.840) 7.997 15.720 ( -0.830 1.927 9.184) 9.421 16.017 ( 1.874 -7.556 -1.324) 7.897 16.237 ( 0.582 5.214 3.291) 6.193 16.653 ( -3.255 4.437 -3.516) 6.531 16.984 ( -3.251 -0.800 -11.346) 11.830 17.302 ( -6.137 8.283 -2.201) 10.541 17.467 ( -7.075 3.648 -2.261) 8.275 17.783 ( -7.938 -0.957 5.195) 9.535 17.959 ( 1.215 1.331 2.578) 3.145 18.100 ( -4.281 0.830 4.541) 6.296 18.271 ( -4.553 2.582 -7.480) 9.129 18.494 ( -4.381 -5.473 1.877) 7.257 18.967 ( 13.968 10.902 6.302) 18.807 19.757 ( 7.483 -2.032 -6.866) 10.357 19.994 ( 9.528 -10.739 4.824) 15.145 20.711 ( 0.172 -5.112 -13.721) 14.643 21.166 ( -3.467 2.765 8.094) 9.229 21.336 ( -0.098 -0.743 5.352) 5.404 21.712 ( -3.390 -0.414 3.980) 5.244 22.101 ( -4.777 2.785 -2.159) 5.936 ======================= Grid point 110 (43/100) ======================= q-point: ( 0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 19.468 27.182 -4.652) 33.756 2.882 ( 26.616 19.405 10.688) 34.630 3.686 ( 7.218 -0.591 -17.411) 18.857 3.876 ( 3.175 -4.717 -2.677) 6.285 4.016 ( 1.404 1.001 -4.074) 4.424 4.172 ( 9.838 -0.546 -5.618) 11.342 4.342 ( 7.913 -5.619 -4.839) 10.845 4.401 ( 3.313 13.528 -1.562) 14.016 4.637 ( 4.838 2.632 -4.575) 7.160 4.691 ( 1.695 5.772 -6.473) 8.837 4.792 ( 9.191 20.113 4.456) 22.558 5.162 ( 6.291 -1.591 -3.651) 7.445 5.267 ( 1.385 -2.021 5.791) 6.288 5.328 ( 2.838 -1.095 0.362) 3.063 5.424 ( 1.356 2.848 4.850) 5.786 5.573 ( 4.626 -0.504 -0.273) 4.662 5.704 ( 1.121 -2.025 0.881) 2.477 5.788 ( 6.278 -2.915 4.364) 8.183 5.840 ( 6.159 -0.938 12.501) 13.968 6.396 ( 7.512 6.763 -5.830) 11.668 6.435 ( 10.525 -4.082 -10.453) 15.385 6.896 ( -0.163 1.851 6.087) 6.365 7.053 ( -0.850 -2.583 -5.192) 5.861 7.299 ( -4.920 -9.623 -6.385) 12.553 7.764 ( -5.523 4.421 7.692) 10.451 7.956 ( -7.459 3.251 7.920) 11.355 8.430 ( -7.462 3.880 -0.615) 8.433 8.737 ( -2.477 9.237 -3.767) 10.279 8.786 ( -0.828 -1.455 3.429) 3.815 9.192 ( -0.646 7.058 -0.407) 7.099 9.312 ( 1.067 10.583 7.138) 12.810 9.591 ( 1.493 0.623 6.184) 6.392 9.722 ( 4.905 8.589 3.504) 10.493 9.968 ( -10.135 4.039 -0.219) 10.912 10.122 ( -1.821 4.158 -3.551) 5.764 10.175 ( 4.609 1.393 -0.334) 4.827 10.251 ( 2.361 0.868 -3.752) 4.518 10.535 ( 2.774 -2.343 0.206) 3.637 10.635 ( -0.127 0.698 5.249) 5.297 10.738 ( 1.142 -7.947 2.196) 8.324 11.138 ( -4.698 3.739 -0.685) 6.043 11.168 ( 4.548 3.503 -4.605) 7.360 11.231 ( -2.080 -5.819 -1.402) 6.336 11.269 ( -2.002 -2.894 -1.024) 3.665 11.471 ( 1.172 2.711 8.104) 8.626 11.584 ( 1.193 2.470 8.725) 9.146 11.878 ( -7.779 -5.206 1.549) 9.487 11.992 ( -4.879 -3.762 -3.184) 6.935 12.408 ( -0.431 1.092 1.821) 2.167 12.606 ( -5.716 2.788 -11.677) 13.296 12.860 ( -8.875 2.561 -2.189) 9.493 13.232 ( -1.372 -3.351 -9.238) 9.922 13.459 ( 9.633 1.000 0.796) 9.717 13.600 ( 6.824 3.991 5.668) 9.727 13.942 ( 6.465 -0.312 -6.438) 9.129 14.063 ( 11.013 0.624 -5.875) 12.497 14.350 ( 8.339 -1.365 -4.639) 9.640 14.406 ( 9.469 -0.863 0.771) 9.539 14.643 ( 3.047 -7.432 0.532) 8.050 14.790 ( 10.133 -5.310 -0.372) 11.446 15.101 ( 1.273 -2.386 4.743) 5.460 15.255 ( 2.958 3.378 -4.794) 6.568 15.662 ( 4.424 3.704 4.105) 7.081 15.706 ( 2.152 6.430 4.041) 7.893 15.726 ( 6.386 4.612 5.565) 9.645 16.075 ( 4.473 -4.458 -3.227) 7.092 16.267 ( 2.982 3.558 4.610) 6.542 16.566 ( -5.658 4.591 -3.819) 8.227 16.894 ( -6.074 2.671 -9.074) 11.241 17.138 ( -11.091 6.049 -7.375) 14.628 17.295 ( -9.798 6.628 5.428) 13.016 17.603 ( -11.090 -1.178 5.602) 12.480 17.896 ( -5.581 0.535 -1.081) 5.710 18.095 ( 2.021 -0.169 5.250) 5.628 18.190 ( -3.088 -0.043 -4.488) 5.448 18.418 ( -4.192 -7.092 2.803) 8.701 19.264 ( 17.007 10.357 3.282) 20.181 19.924 ( 9.335 -1.633 -7.633) 12.168 20.203 ( 11.214 -10.350 5.972) 16.388 20.703 ( -1.729 -5.393 -7.891) 9.713 21.073 ( -5.280 0.880 6.301) 8.267 21.351 ( 1.227 0.232 -0.303) 1.285 21.625 ( -5.160 -1.066 5.418) 7.558 21.994 ( -6.045 3.067 -1.625) 6.970 ======================= Grid point 111 (44/100) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 22.123 18.967 -3.414) 29.340 3.283 ( 15.909 19.759 7.434) 26.434 3.791 ( 2.014 4.610 -12.870) 13.819 3.902 ( 1.260 -0.848 -5.239) 5.455 4.032 ( -0.862 -0.029 2.833) 2.961 4.185 ( -3.176 5.051 0.655) 6.003 4.461 ( -0.455 -4.260 -3.558) 5.569 4.542 ( 4.785 6.624 -8.995) 12.152 4.585 ( -3.493 4.690 -3.157) 6.646 4.804 ( 8.639 7.012 -15.786) 19.313 4.954 ( 2.762 3.762 -0.627) 4.709 5.241 ( 9.231 6.837 -2.447) 11.745 5.368 ( 1.252 6.366 3.393) 7.321 5.416 ( 5.997 3.915 1.695) 7.360 5.532 ( 12.074 1.404 3.132) 12.552 5.607 ( 1.179 1.332 6.111) 6.364 5.821 ( 11.372 -5.079 -3.486) 12.933 5.984 ( 9.500 -3.065 14.007) 17.200 6.037 ( 17.114 -7.904 5.096) 19.527 6.497 ( 5.913 3.295 -7.153) 9.848 6.695 ( 12.603 -6.857 -11.810) 18.583 6.912 ( 1.481 0.257 3.613) 3.914 6.971 ( -7.103 -2.045 0.147) 7.393 7.194 ( -6.543 -8.142 0.224) 10.447 7.649 ( -7.270 3.250 5.406) 9.625 7.781 ( -10.995 1.614 8.039) 13.716 8.280 ( -6.698 5.491 -2.740) 9.084 8.643 ( -6.929 6.965 -3.516) 10.435 8.791 ( 1.898 -1.143 3.508) 4.149 9.157 ( -3.986 10.295 -0.151) 11.040 9.344 ( 2.545 7.828 7.872) 11.389 9.575 ( -2.431 -0.533 5.828) 6.337 9.704 ( -6.606 10.127 1.018) 12.134 9.808 ( -3.758 2.816 4.505) 6.508 10.078 ( -2.213 0.133 -2.173) 3.104 10.239 ( -3.934 -6.449 -1.831) 7.773 10.269 ( 2.179 0.004 -2.152) 3.063 10.477 ( -2.461 -5.275 7.354) 9.379 10.712 ( 4.356 3.110 -0.052) 5.352 10.915 ( 12.970 -0.292 -3.571) 13.456 11.031 ( -5.290 1.259 -0.360) 5.450 11.197 ( -1.220 -0.024 -0.670) 1.392 11.255 ( 2.182 0.945 -2.024) 3.122 11.271 ( 4.147 -1.532 -3.307) 5.521 11.504 ( 1.292 3.813 7.176) 8.228 11.637 ( 3.622 -0.074 6.666) 7.587 11.743 ( -2.366 -3.166 6.913) 7.963 11.936 ( -2.238 -0.945 -6.236) 6.693 12.315 ( -8.240 1.424 -4.075) 9.302 12.528 ( -6.581 0.818 -5.742) 8.772 12.729 ( -1.616 4.976 -4.373) 6.819 13.142 ( -6.999 1.198 -9.079) 11.526 13.634 ( 10.055 -4.341 5.578) 12.291 13.800 ( 10.632 5.920 2.082) 12.346 14.022 ( 1.301 -2.310 -2.746) 3.816 14.174 ( 1.829 4.157 0.700) 4.595 14.468 ( 6.303 0.262 -6.055) 8.745 14.642 ( 11.886 -2.432 -6.670) 13.845 14.739 ( 6.162 -3.718 -2.458) 7.605 14.930 ( 4.287 -2.845 -2.071) 5.546 15.151 ( 3.982 -3.780 7.490) 9.287 15.300 ( 1.299 2.867 -0.853) 3.261 15.662 ( -0.573 3.743 4.362) 5.776 15.735 ( 0.686 5.844 3.912) 7.066 15.956 ( 13.017 3.977 -1.688) 13.715 16.199 ( 9.067 0.508 -3.629) 9.779 16.354 ( 5.657 3.482 4.179) 7.848 16.453 ( -5.539 4.771 -4.497) 8.583 16.766 ( -6.913 5.380 -4.905) 10.039 16.909 ( -12.101 5.456 -8.237) 15.622 17.121 ( -8.506 6.616 7.720) 13.256 17.365 ( -13.435 -1.517 4.479) 14.243 17.831 ( -0.804 -3.741 0.708) 3.892 18.114 ( -0.122 0.427 1.220) 1.299 18.145 ( -2.614 -4.572 -1.483) 5.471 18.345 ( -2.957 -6.768 3.602) 8.217 19.594 ( 17.355 9.198 1.913) 19.734 20.079 ( 6.209 0.896 -7.458) 9.745 20.384 ( 7.291 -9.305 6.235) 13.365 20.622 ( -6.569 -4.447 -0.109) 7.934 21.018 ( 0.170 -2.604 2.016) 3.298 21.332 ( -4.654 0.275 -4.003) 6.145 21.572 ( 1.074 -0.956 5.551) 5.734 21.882 ( -5.780 2.072 -1.121) 6.241 ======================= Grid point 112 (45/100) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 17.061 10.783 -0.732) 20.196 3.530 ( 12.137 15.072 1.957) 19.450 3.726 ( -5.478 11.371 1.371) 12.696 3.871 ( -13.322 6.131 1.497) 14.741 4.001 ( 3.982 4.919 -4.798) 7.942 4.169 ( 0.740 3.854 -1.446) 4.183 4.358 ( -6.072 4.302 -6.395) 9.812 4.494 ( -1.601 0.937 -3.597) 4.047 4.662 ( 3.195 8.979 -11.260) 14.752 4.858 ( -1.853 6.111 -13.969) 15.359 5.009 ( 3.624 -5.268 -4.512) 7.826 5.339 ( 1.007 -2.419 2.490) 3.615 5.377 ( 0.596 8.315 -4.237) 9.351 5.455 ( -0.177 4.387 -2.300) 4.957 5.650 ( 2.131 0.203 4.258) 4.766 5.872 ( 10.307 0.337 0.184) 10.314 6.031 ( 15.435 1.107 8.201) 17.513 6.214 ( 10.139 0.845 7.457) 12.614 6.280 ( 7.919 -13.431 0.019) 15.592 6.611 ( -7.280 0.869 4.634) 8.673 6.747 ( 2.738 -0.262 -3.942) 4.807 6.854 ( -1.941 -9.001 -10.876) 14.250 6.970 ( 3.597 0.398 2.905) 4.640 7.155 ( 1.986 -8.549 1.675) 8.935 7.463 ( -8.716 3.393 11.709) 14.986 7.558 ( -11.108 2.452 7.652) 13.709 8.235 ( 1.220 7.415 -7.436) 10.572 8.510 ( -5.576 4.057 -4.145) 8.045 8.868 ( 6.022 2.502 2.610) 7.024 9.034 ( -8.003 6.503 0.891) 10.351 9.411 ( 4.284 4.809 8.715) 10.837 9.518 ( -4.130 1.106 7.439) 8.580 9.580 ( -3.584 6.719 -2.559) 8.034 9.795 ( 0.603 6.235 5.690) 8.462 10.052 ( -0.264 -2.260 -2.683) 3.518 10.129 ( -4.801 -8.668 2.051) 10.119 10.303 ( 1.038 -1.430 -1.389) 2.248 10.432 ( -1.981 -3.361 5.868) 7.046 10.809 ( 4.610 5.548 0.748) 7.252 10.937 ( -3.630 6.146 0.724) 7.174 11.079 ( 3.516 -4.312 -4.544) 7.183 11.159 ( -2.149 -0.553 -2.105) 3.058 11.320 ( 3.751 -0.057 -1.866) 4.190 11.383 ( 4.103 -3.471 -0.903) 5.450 11.494 ( 1.317 1.442 6.501) 6.788 11.620 ( -4.022 -0.210 8.462) 9.371 11.870 ( 6.398 6.715 -2.872) 9.710 11.935 ( 5.540 1.197 -3.119) 6.470 12.171 ( -5.066 -0.245 -4.932) 7.075 12.322 ( -11.980 -1.520 -1.251) 12.140 12.785 ( 4.306 6.012 -9.018) 11.663 13.009 ( -5.825 1.503 -5.385) 8.074 13.824 ( 8.729 -6.134 4.999) 11.782 13.940 ( 3.818 7.777 -2.261) 8.954 13.991 ( -3.950 -6.682 3.127) 8.369 14.178 ( -0.668 8.534 5.653) 10.258 14.576 ( 4.253 -0.418 -11.541) 12.307 14.755 ( 0.355 -4.229 -5.438) 6.899 14.868 ( 5.743 -0.239 -5.998) 8.308 14.995 ( 2.806 1.583 -4.462) 5.504 15.222 ( 3.382 -2.749 7.648) 8.802 15.287 ( -2.776 1.758 4.720) 5.751 15.666 ( 0.820 3.510 2.804) 4.567 15.731 ( -0.782 4.051 4.631) 6.203 16.158 ( 7.823 5.178 -6.617) 11.480 16.322 ( -4.657 2.862 -5.927) 8.062 16.414 ( 10.224 8.133 -3.935) 13.644 16.489 ( 5.142 4.780 1.501) 7.179 16.649 ( -5.627 3.916 -0.474) 6.872 16.715 ( -6.953 5.433 -5.575) 10.438 16.990 ( -4.243 3.976 6.673) 8.850 17.138 ( -8.510 -1.911 5.689) 10.413 17.856 ( 2.367 -5.681 0.156) 6.157 18.054 ( -4.177 -6.956 5.650) 9.887 18.130 ( 0.261 -1.289 -4.446) 4.637 18.313 ( -0.654 -5.489 3.235) 6.404 19.900 ( 14.034 7.948 0.657) 16.141 20.113 ( -3.932 4.723 -2.675) 6.703 20.437 ( -1.664 -4.335 1.729) 4.955 20.540 ( -0.025 -9.921 2.721) 10.287 21.069 ( 4.536 -3.539 0.633) 5.788 21.206 ( -6.977 -1.038 -0.432) 7.067 21.641 ( 4.707 0.241 0.542) 4.744 21.776 ( -5.101 0.535 -0.022) 5.129 ======================= Grid point 117 (46/100) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 25.383 10.146) 27.336 2.941 ( 0.000 24.999 -2.249) 25.100 3.008 ( 0.000 -22.883 5.293) 23.487 3.698 ( 0.000 -15.949 -23.505) 28.405 3.960 ( 0.000 3.058 -12.940) 13.296 4.030 ( 0.000 7.444 -12.214) 14.304 4.126 ( 0.000 -4.559 -22.080) 22.546 4.217 ( 0.000 -6.748 -10.372) 12.374 4.507 ( 0.000 0.029 -6.027) 6.028 4.586 ( 0.000 -2.725 -7.525) 8.003 5.054 ( 0.000 23.796 20.642) 31.502 5.130 ( 0.000 0.097 3.427) 3.428 5.285 ( 0.000 2.369 11.505) 11.746 5.289 ( 0.000 -0.082 4.596) 4.597 5.362 ( 0.000 2.504 9.147) 9.483 5.620 ( 0.000 0.374 -2.995) 3.018 5.625 ( 0.000 -5.262 0.909) 5.340 5.656 ( 0.000 0.388 3.598) 3.619 5.714 ( 0.000 -0.723 14.135) 14.154 6.198 ( 0.000 -1.058 -8.158) 8.226 6.474 ( 0.000 2.697 -0.972) 2.867 6.913 ( 0.000 -4.374 -3.028) 5.320 6.979 ( 0.000 1.336 -1.738) 2.192 7.251 ( 0.000 -5.389 2.884) 6.113 7.953 ( 0.000 2.306 7.758) 8.094 8.212 ( 0.000 4.035 2.374) 4.681 8.623 ( 0.000 1.295 -3.187) 3.440 8.824 ( 0.000 4.161 -4.987) 6.495 8.830 ( 0.000 0.576 1.585) 1.687 9.242 ( 0.000 0.288 -2.283) 2.302 9.480 ( 0.000 4.626 5.922) 7.514 9.488 ( 0.000 2.123 2.739) 3.466 9.552 ( 0.000 3.515 -1.796) 3.947 10.089 ( 0.000 -1.907 3.069) 3.613 10.204 ( 0.000 0.207 -1.505) 1.520 10.339 ( 0.000 6.462 6.599) 9.237 10.413 ( 0.000 3.758 -3.383) 5.056 10.513 ( 0.000 8.020 -7.192) 10.772 10.598 ( 0.000 -8.563 8.655) 12.175 10.710 ( 0.000 -2.366 2.595) 3.512 11.082 ( 0.000 -0.962 -6.679) 6.748 11.153 ( 0.000 -4.890 -1.289) 5.057 11.282 ( 0.000 2.346 -0.317) 2.368 11.343 ( 0.000 -0.598 1.395) 1.518 11.427 ( 0.000 0.292 8.281) 8.286 11.522 ( 0.000 -0.543 9.509) 9.524 11.985 ( 0.000 -0.301 1.016) 1.060 12.099 ( 0.000 -4.468 -4.493) 6.337 12.485 ( 0.000 -0.852 -2.680) 2.812 12.802 ( 0.000 8.921 2.070) 9.158 13.076 ( 0.000 0.475 -0.881) 1.001 13.125 ( 0.000 -8.566 -1.783) 8.750 13.171 ( 0.000 -1.525 5.671) 5.873 13.552 ( 0.000 0.935 -15.600) 15.628 13.580 ( 0.000 0.987 -18.773) 18.799 13.942 ( 0.000 1.147 -6.990) 7.083 14.022 ( 0.000 1.907 -0.155) 1.913 14.198 ( 0.000 -3.289 2.301) 4.014 14.395 ( 0.000 -1.907 9.736) 9.921 14.609 ( 0.000 -2.838 2.481) 3.769 15.057 ( 0.000 0.338 4.904) 4.915 15.214 ( 0.000 0.453 -6.029) 6.046 15.590 ( 0.000 8.485 2.682) 8.899 15.718 ( 0.000 -2.993 7.841) 8.393 15.753 ( 0.000 3.973 4.053) 5.675 15.843 ( 0.000 -6.897 0.739) 6.937 16.314 ( 0.000 2.273 1.803) 2.901 16.742 ( 0.000 1.558 -2.497) 2.943 16.980 ( 0.000 -1.074 -10.089) 10.146 17.479 ( 0.000 2.100 -12.471) 12.646 17.604 ( 0.000 3.784 7.794) 8.664 17.851 ( 0.000 -0.491 3.294) 3.330 17.930 ( 0.000 -0.115 6.312) 6.314 18.205 ( 0.000 1.748 0.544) 1.831 18.269 ( 0.000 -2.946 -3.034) 4.229 18.505 ( 0.000 -2.344 -1.624) 2.852 19.122 ( 0.000 18.574 6.634) 19.723 19.513 ( 0.000 -15.483 1.548) 15.560 19.783 ( 0.000 -0.654 -4.766) 4.810 20.640 ( 0.000 -1.994 -18.189) 18.298 21.257 ( 0.000 2.913 8.941) 9.404 21.312 ( 0.000 -2.033 7.747) 8.009 21.744 ( 0.000 -0.006 4.429) 4.429 22.179 ( 0.000 0.748 -1.968) 2.105 ======================= Grid point 118 (47/100) ======================= q-point: ( 0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 23.481 22.628 8.744) 33.762 2.993 ( 5.816 22.481 -1.853) 23.295 3.186 ( 16.590 -19.795 4.777) 26.266 3.733 ( 4.371 -14.285 -20.544) 25.401 3.914 ( -2.396 1.308 -12.994) 13.277 4.073 ( 0.255 2.881 -17.131) 17.374 4.180 ( 7.049 0.047 -10.608) 12.737 4.331 ( 10.279 -6.259 -12.631) 17.447 4.551 ( 4.434 0.412 -5.879) 7.375 4.636 ( 5.762 -0.422 -7.442) 9.421 5.081 ( 3.618 19.290 17.726) 26.446 5.141 ( 0.071 1.409 3.518) 3.790 5.257 ( -0.442 1.997 9.575) 9.792 5.345 ( 0.531 -0.385 3.878) 3.933 5.403 ( 3.717 1.958 8.273) 9.278 5.466 ( -3.754 -2.228 -0.792) 4.437 5.656 ( 0.013 0.326 3.486) 3.501 5.733 ( 3.981 1.230 13.933) 14.542 5.792 ( 6.845 0.674 -0.488) 6.895 6.204 ( 1.355 -3.646 -7.432) 8.389 6.473 ( 0.128 2.347 -2.700) 3.580 6.897 ( -2.115 -2.913 -2.393) 4.322 6.992 ( 1.764 -0.960 -2.911) 3.536 7.219 ( -3.097 -4.457 3.922) 6.696 7.922 ( -3.352 2.165 8.426) 9.323 8.168 ( -4.567 3.889 2.029) 6.332 8.586 ( -3.863 1.272 -3.017) 5.064 8.798 ( -2.879 -0.039 2.227) 3.640 8.875 ( 3.309 4.056 -5.851) 7.850 9.247 ( 0.883 0.986 -1.411) 1.935 9.483 ( 0.153 5.741 7.884) 9.755 9.547 ( 5.064 1.022 2.663) 5.812 9.636 ( 8.828 2.860 0.690) 9.305 10.084 ( -0.814 -1.451 1.754) 2.418 10.209 ( 0.615 0.045 -3.376) 3.432 10.303 ( -2.740 6.563 1.971) 7.380 10.335 ( -8.176 3.918 -2.363) 9.369 10.519 ( -1.690 1.354 -3.581) 4.185 10.571 ( -1.858 -8.401 6.834) 10.988 10.684 ( -0.442 1.973 2.963) 3.587 11.113 ( 2.677 -0.986 -6.475) 7.076 11.141 ( -1.158 -4.750 -1.325) 5.066 11.272 ( -0.836 2.894 -0.310) 3.028 11.291 ( -3.076 -0.462 1.322) 3.380 11.479 ( 1.301 0.663 7.197) 7.344 11.533 ( 3.053 -0.737 10.636) 11.090 11.975 ( -1.481 0.279 -0.579) 1.614 12.021 ( -8.576 -4.388 -1.976) 9.833 12.433 ( -1.834 0.809 0.183) 2.013 12.776 ( -4.458 4.300 -5.662) 8.391 13.043 ( -7.884 0.923 -0.751) 7.973 13.098 ( 1.433 -4.419 -1.222) 4.804 13.237 ( 10.803 -2.633 0.517) 11.131 13.678 ( 8.696 3.917 -14.489) 17.346 13.752 ( 8.977 1.553 -7.152) 11.582 13.821 ( 1.904 -3.442 -6.038) 7.206 14.186 ( 9.793 4.744 -3.455) 11.417 14.287 ( 7.646 -4.103 -1.445) 8.797 14.406 ( 2.049 -3.536 9.719) 10.544 14.615 ( 1.603 -2.224 3.684) 4.592 15.065 ( 0.619 0.055 5.622) 5.657 15.245 ( 2.786 0.788 -5.534) 6.245 15.641 ( 5.371 7.615 1.536) 9.445 15.737 ( 1.266 -0.365 8.874) 8.972 15.766 ( 1.622 3.270 2.560) 4.458 15.861 ( 2.440 -7.715 0.370) 8.101 16.311 ( -0.071 2.153 2.052) 2.975 16.711 ( -3.246 1.540 -2.568) 4.416 16.967 ( -1.383 -0.609 -10.146) 10.258 17.411 ( -7.080 2.380 -12.306) 14.396 17.538 ( -6.088 3.105 8.584) 10.972 17.768 ( -7.932 -0.472 4.921) 9.347 17.980 ( 3.463 0.749 3.949) 5.305 18.123 ( -6.981 1.005 1.656) 7.245 18.252 ( -2.696 -2.369 -3.758) 5.197 18.422 ( -6.597 -1.957 -0.323) 6.889 19.244 ( 11.205 15.719 4.922) 19.921 19.609 ( 9.390 -13.121 0.692) 16.150 19.873 ( 8.656 -1.466 -2.451) 9.115 20.636 ( -0.467 -2.215 -17.093) 17.242 21.217 ( -4.603 1.930 9.569) 10.792 21.317 ( 1.119 -0.962 5.282) 5.484 21.706 ( -3.916 -0.172 4.648) 6.080 22.137 ( -4.250 0.917 -1.914) 4.751 ======================= Grid point 119 (48/100) ======================= q-point: ( 0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 12.469 18.905 -1.229) 22.680 3.227 ( 23.585 16.801 6.592) 29.698 3.527 ( 17.198 -13.675 -0.426) 21.976 3.861 ( 4.405 -1.433 -7.747) 9.026 3.916 ( 6.741 -8.925 -11.417) 15.982 4.078 ( 1.730 -2.061 -9.630) 9.999 4.294 ( 3.030 0.636 -2.802) 4.176 4.511 ( 8.047 -0.161 -17.249) 19.034 4.699 ( 9.538 3.330 -6.815) 12.186 4.761 ( 4.813 0.847 -5.828) 7.606 5.141 ( -2.557 5.802 -0.528) 6.363 5.162 ( 1.216 1.738 -3.426) 4.030 5.261 ( 5.329 3.004 11.822) 13.311 5.316 ( 6.278 -0.424 3.427) 7.165 5.495 ( 5.190 1.868 9.704) 11.162 5.544 ( 6.686 -1.597 0.015) 6.874 5.680 ( 4.063 1.303 6.152) 7.487 5.834 ( 5.797 -0.295 18.087) 18.996 5.891 ( 3.952 15.290 -3.574) 16.192 6.285 ( 7.373 -13.359 -8.994) 17.712 6.488 ( 1.661 0.956 -4.485) 4.877 6.856 ( -0.940 -2.660 -2.765) 3.950 7.020 ( -0.035 -0.763 -3.157) 3.248 7.153 ( -3.502 -3.622 6.571) 8.280 7.828 ( -6.289 1.811 9.436) 11.484 8.042 ( -8.590 3.505 1.177) 9.352 8.482 ( -6.911 1.370 -2.622) 7.518 8.748 ( -1.718 -0.690 3.647) 4.090 8.873 ( -4.005 3.102 -6.788) 8.470 9.278 ( 1.925 2.366 1.928) 3.608 9.491 ( 0.561 5.909 6.415) 8.740 9.615 ( 1.011 1.167 8.361) 8.502 9.833 ( 8.855 2.988 5.586) 10.887 10.015 ( -9.688 0.669 -3.398) 10.288 10.158 ( -4.939 1.729 1.206) 5.370 10.219 ( -0.871 -1.052 -5.401) 5.571 10.243 ( -4.994 0.820 -4.429) 6.725 10.444 ( -3.241 -2.948 4.421) 6.224 10.583 ( 4.381 -5.011 3.103) 7.344 10.747 ( 6.570 4.171 -2.316) 8.119 11.088 ( -2.635 -2.360 -0.252) 3.546 11.195 ( 3.957 -0.990 -5.099) 6.530 11.249 ( -0.689 0.649 -2.881) 3.032 11.262 ( -0.403 2.659 -0.634) 2.763 11.479 ( 0.811 -0.782 8.228) 8.305 11.623 ( 5.018 1.470 11.118) 12.287 11.782 ( -12.957 -3.383 2.659) 13.653 11.961 ( -1.533 -0.442 -2.693) 3.130 12.442 ( 0.379 1.578 0.512) 1.702 12.647 ( -7.086 1.345 -12.367) 14.316 12.891 ( -7.921 0.819 -0.994) 8.025 13.145 ( 2.672 -3.563 -5.106) 6.775 13.461 ( 8.118 -0.058 -0.635) 8.143 13.701 ( 5.321 3.891 7.262) 9.807 13.908 ( 7.271 -1.706 -11.226) 13.483 14.075 ( 13.044 0.049 -7.835) 15.216 14.362 ( 7.040 2.332 -8.289) 11.122 14.416 ( 8.642 0.671 2.453) 9.008 14.505 ( 7.804 -5.618 2.671) 9.980 14.722 ( 9.577 -1.796 3.266) 10.276 15.073 ( 0.271 -0.605 7.570) 7.599 15.301 ( 2.836 1.220 -4.288) 5.283 15.732 ( -0.393 2.465 5.427) 5.973 15.774 ( 5.116 2.053 1.241) 5.651 15.834 ( 6.845 5.546 2.693) 9.212 15.961 ( 8.416 -6.534 -0.786) 10.683 16.328 ( 2.511 2.016 2.845) 4.297 16.625 ( -5.528 1.543 -2.766) 6.371 16.926 ( -3.011 0.793 -9.989) 10.463 17.223 ( -12.089 2.191 -11.469) 16.807 17.399 ( -8.215 3.509 10.031) 13.432 17.578 ( -11.824 -0.868 6.017) 13.295 17.912 ( -8.607 0.687 -1.111) 8.706 18.101 ( 3.130 0.818 5.103) 6.043 18.166 ( -5.312 -1.876 -4.359) 7.123 18.308 ( -5.411 -3.445 1.557) 6.601 19.495 ( 14.605 11.664 2.625) 18.874 19.831 ( 13.055 -8.324 -0.673) 15.498 20.065 ( 10.407 -2.755 1.604) 10.884 20.618 ( -1.729 -2.649 -13.090) 13.467 21.098 ( -7.041 1.058 8.964) 11.448 21.351 ( 1.876 -0.110 -0.036) 1.880 21.609 ( -5.596 -0.489 5.839) 8.103 22.034 ( -6.251 1.046 -1.859) 6.606 ======================= Grid point 120 (49/100) ======================= q-point: ( 0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 13.830 12.198 0.781) 18.457 3.567 ( 11.753 8.841 1.253) 14.760 3.813 ( 11.943 -3.682 -3.774) 13.055 3.896 ( 1.759 3.081 -2.509) 4.345 4.044 ( 3.577 1.928 1.567) 4.355 4.178 ( 5.249 -9.063 3.185) 10.947 4.309 ( 0.644 -2.288 0.731) 2.487 4.627 ( -0.298 1.797 -10.584) 10.740 4.716 ( 0.442 5.431 -13.399) 14.464 4.915 ( 6.845 3.051 -15.647) 17.349 5.000 ( -5.082 2.003 -4.418) 7.025 5.214 ( 0.490 -4.327 -3.575) 5.634 5.444 ( 9.373 3.485 0.688) 10.024 5.519 ( 11.346 2.610 -5.001) 12.671 5.602 ( 6.716 -1.050 9.041) 11.312 5.677 ( 6.337 -0.561 1.238) 6.481 5.854 ( 14.515 4.594 9.023) 17.698 5.899 ( 2.981 1.954 4.955) 6.104 6.033 ( 10.577 10.864 8.922) 17.593 6.410 ( 4.770 -14.077 -11.956) 19.075 6.576 ( 8.899 -4.603 0.752) 10.047 6.899 ( 3.491 0.077 -4.760) 5.903 6.964 ( -4.587 0.564 -1.597) 4.890 7.073 ( -5.360 -3.156 9.490) 11.347 7.690 ( -8.513 1.050 10.948) 13.909 7.849 ( -11.596 3.094 0.346) 12.007 8.354 ( -4.981 2.020 -4.425) 6.962 8.725 ( -7.065 2.764 -5.404) 9.314 8.773 ( 0.967 -1.533 3.229) 3.703 9.292 ( -1.961 3.678 3.836) 5.664 9.484 ( -2.318 5.069 6.797) 8.790 9.586 ( -3.208 0.892 10.998) 11.491 9.780 ( -9.247 1.086 -1.241) 9.393 9.908 ( 0.426 3.564 7.458) 8.277 10.085 ( -8.198 -1.947 -3.669) 9.190 10.131 ( -3.913 0.286 -2.716) 4.772 10.222 ( 1.939 -4.549 -1.425) 5.146 10.404 ( -2.468 -1.941 6.592) 7.302 10.732 ( 9.398 -0.130 0.970) 9.448 10.896 ( 6.455 -1.364 -6.897) 9.544 11.072 ( 2.199 2.966 0.123) 3.694 11.213 ( -0.929 0.167 -3.429) 3.556 11.271 ( 1.816 1.387 -0.802) 2.422 11.275 ( 1.609 0.180 -5.032) 5.286 11.538 ( -2.539 0.650 4.920) 5.575 11.582 ( 2.129 -3.120 5.492) 6.666 11.742 ( 6.648 0.877 10.943) 12.834 11.929 ( -1.244 -0.076 -5.306) 5.450 12.350 ( -9.174 1.558 -4.686) 10.419 12.538 ( -8.146 0.182 -6.385) 10.352 12.794 ( 0.089 1.677 -3.421) 3.811 13.139 ( -4.066 -0.810 -11.169) 11.913 13.562 ( 6.908 -1.870 9.382) 11.800 13.919 ( 11.864 4.236 3.480) 13.069 13.960 ( -0.713 -2.261 -1.595) 2.858 14.236 ( 4.233 0.982 -2.590) 5.059 14.467 ( 5.708 0.033 -9.159) 10.793 14.618 ( 8.853 -0.881 -6.932) 11.278 14.695 ( 12.021 -0.462 -0.507) 12.041 14.901 ( 7.645 -0.477 -0.260) 7.664 15.093 ( 2.642 -1.841 9.569) 10.097 15.341 ( 1.022 1.167 -2.019) 2.546 15.715 ( -0.733 1.585 5.955) 6.206 15.810 ( -0.424 1.864 2.779) 3.373 16.025 ( 11.212 2.753 -3.727) 12.132 16.173 ( 13.396 -1.934 -1.745) 13.647 16.427 ( 7.884 2.655 3.892) 9.184 16.514 ( -5.712 1.567 -3.325) 6.793 16.854 ( -4.470 2.969 -7.954) 9.594 16.983 ( -12.611 1.791 -9.876) 16.118 17.231 ( -9.551 3.911 8.469) 13.351 17.330 ( -13.845 -1.607 5.526) 14.994 17.783 ( -3.894 -1.163 1.279) 4.260 18.054 ( -6.533 -3.216 -0.320) 7.288 18.144 ( 0.490 2.201 0.582) 2.328 18.228 ( -2.274 -4.883 1.754) 5.665 19.781 ( 15.308 8.543 1.572) 17.601 20.068 ( 11.089 -3.149 -1.923) 11.687 20.234 ( 6.979 -4.090 3.834) 8.952 20.548 ( -6.381 -2.654 -5.119) 8.600 20.998 ( -2.249 -0.029 5.293) 5.751 21.329 ( -5.708 -0.308 -2.628) 6.291 21.559 ( 2.022 -0.306 4.699) 5.125 21.910 ( -6.732 0.759 -1.839) 7.020 ======================= Grid point 121 (50/100) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 10.333 5.336 2.807) 11.964 3.709 ( 3.233 4.337 -0.202) 5.413 3.922 ( 1.198 7.252 2.705) 7.832 3.936 ( 0.723 1.444 0.764) 1.786 4.088 ( 0.500 4.199 6.053) 7.384 4.186 ( -0.507 -3.196 4.447) 5.500 4.367 ( 3.996 -2.366 -1.138) 4.781 4.500 ( -7.487 1.220 -3.347) 8.291 4.802 ( 4.006 4.629 -20.455) 21.352 4.892 ( -2.494 -1.126 -15.496) 15.736 5.030 ( 1.527 6.888 -8.707) 11.207 5.212 ( 0.019 -9.081 -4.381) 10.082 5.578 ( 4.620 9.815 -1.712) 10.982 5.628 ( -0.144 12.100 -1.835) 12.239 5.699 ( 3.664 2.021 4.402) 6.073 5.800 ( 5.641 -7.084 -5.959) 10.840 5.963 ( 4.229 -5.752 1.678) 7.334 6.070 ( -1.519 -8.983 0.490) 9.124 6.276 ( 20.594 5.149 8.929) 23.029 6.584 ( 12.335 -3.448 -0.842) 12.836 6.689 ( -18.420 -0.369 3.762) 18.804 6.778 ( 7.432 -3.416 1.000) 8.240 6.962 ( -0.024 -1.247 7.458) 7.562 7.061 ( 1.168 -0.513 -5.356) 5.506 7.523 ( -5.275 2.033 12.320) 13.555 7.621 ( -11.391 2.593 2.431) 11.933 8.349 ( 4.324 3.606 -7.979) 9.766 8.537 ( -9.758 -0.072 -8.103) 12.684 8.894 ( 10.120 0.294 4.890) 11.243 9.130 ( -13.397 2.817 2.682) 13.951 9.456 ( 0.828 1.664 12.363) 12.502 9.521 ( -3.178 -0.567 12.426) 12.838 9.732 ( 1.324 7.615 -2.427) 8.101 9.917 ( -0.068 2.136 -0.718) 2.254 9.957 ( -2.544 -5.597 3.925) 7.294 10.038 ( -5.102 -0.243 -2.091) 5.519 10.264 ( 1.913 -1.412 1.539) 2.833 10.350 ( -2.466 -3.839 6.112) 7.627 10.868 ( 4.196 1.641 1.071) 4.631 10.941 ( 0.018 -2.879 0.120) 2.881 11.135 ( 2.095 6.265 -6.711) 9.417 11.191 ( -1.073 2.273 -4.917) 5.522 11.291 ( 1.088 -2.342 -2.207) 3.397 11.317 ( -0.163 -3.178 -1.539) 3.535 11.503 ( 5.201 0.168 6.226) 8.114 11.632 ( -4.232 0.598 5.844) 7.240 11.945 ( 13.334 0.040 -0.531) 13.344 11.981 ( 8.499 3.700 -3.009) 9.745 12.162 ( -9.301 -0.435 -5.874) 11.010 12.298 ( -15.625 -0.753 -1.037) 15.678 12.872 ( 6.186 2.570 -7.263) 9.881 13.022 ( -7.025 0.084 -9.061) 11.466 13.727 ( 9.132 -2.714 9.030) 13.126 13.882 ( -6.095 -3.088 4.725) 8.307 14.101 ( 6.112 6.269 0.326) 8.761 14.251 ( -1.730 -0.560 1.795) 2.555 14.584 ( 5.481 1.205 -10.317) 11.745 14.685 ( -0.516 -2.686 -8.346) 8.782 14.897 ( 6.707 2.540 -4.057) 8.240 14.993 ( 2.121 -1.555 -3.529) 4.402 15.188 ( 7.086 -0.701 7.594) 10.410 15.315 ( -4.455 0.847 2.302) 5.086 15.721 ( 1.485 1.788 5.118) 5.621 15.777 ( -2.507 0.956 4.760) 5.464 16.224 ( 9.314 1.723 -6.877) 11.706 16.359 ( -2.454 0.955 -4.797) 5.472 16.487 ( 10.331 1.217 -4.811) 11.461 16.600 ( 7.681 3.674 4.198) 9.493 16.742 ( -8.914 4.703 -6.244) 11.856 16.790 ( -5.363 1.582 -3.910) 6.823 17.059 ( -6.891 2.577 5.202) 9.010 17.098 ( -8.550 -1.868 4.683) 9.926 17.778 ( 2.888 -1.747 2.610) 4.267 17.916 ( -6.961 -5.320 3.162) 9.314 18.143 ( -0.021 2.174 -1.449) 2.613 18.211 ( -0.248 -4.695 1.063) 4.820 20.060 ( 13.525 7.475 1.131) 15.495 20.209 ( 1.868 4.420 -1.671) 5.082 20.318 ( 1.897 -6.494 3.102) 7.442 20.390 ( -8.051 -5.591 0.784) 9.834 21.030 ( 5.129 -0.589 2.080) 5.566 21.179 ( -8.515 -1.268 0.656) 8.634 21.650 ( 6.194 0.382 -0.144) 6.207 21.781 ( -6.729 0.089 -1.457) 6.885 ======================= Grid point 162 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 0.000 37.787) 37.787 1.736 ( 0.000 0.000 39.643) 39.643 2.581 ( 0.000 0.000 52.234) 52.234 3.082 ( 0.000 0.000 -19.719) 19.719 3.107 ( 0.000 0.000 -26.114) 26.114 4.117 ( 0.000 0.000 -4.275) 4.275 4.132 ( 0.000 0.000 -9.431) 9.431 4.262 ( 0.000 0.000 8.002) 8.002 4.447 ( 0.000 0.000 1.415) 1.415 4.629 ( 0.000 0.000 -2.643) 2.643 4.662 ( 0.000 0.000 -3.965) 3.965 4.921 ( 0.000 0.000 -42.169) 42.169 5.202 ( 0.000 0.000 6.431) 6.431 5.378 ( 0.000 0.000 6.549) 6.549 5.404 ( 0.000 0.000 6.318) 6.318 5.604 ( 0.000 0.000 -2.075) 2.075 5.622 ( 0.000 0.000 -7.615) 7.615 5.701 ( 0.000 0.000 0.641) 0.641 5.803 ( 0.000 0.000 -17.790) 17.790 5.881 ( 0.000 0.000 -3.349) 3.349 6.217 ( 0.000 0.000 4.533) 4.533 6.320 ( 0.000 0.000 1.306) 1.306 6.966 ( 0.000 0.000 2.265) 2.265 7.275 ( 0.000 0.000 -11.705) 11.705 7.788 ( 0.000 0.000 7.677) 7.677 7.998 ( 0.000 0.000 -3.033) 3.033 8.397 ( 0.000 0.000 5.789) 5.789 8.460 ( 0.000 0.000 3.489) 3.489 8.859 ( 0.000 0.000 8.682) 8.682 9.158 ( 0.000 0.000 -5.528) 5.528 9.228 ( 0.000 0.000 10.274) 10.274 9.312 ( 0.000 0.000 1.056) 1.056 9.351 ( 0.000 0.000 8.373) 8.373 9.355 ( 0.000 0.000 -1.239) 1.239 9.852 ( 0.000 0.000 0.090) 0.090 9.996 ( 0.000 0.000 -0.553) 0.553 10.378 ( 0.000 0.000 10.114) 10.114 10.382 ( 0.000 0.000 5.690) 5.690 10.683 ( 0.000 0.000 16.024) 16.024 10.940 ( 0.000 0.000 11.212) 11.212 11.166 ( 0.000 0.000 0.142) 0.142 11.245 ( 0.000 0.000 -3.840) 3.840 11.523 ( 0.000 0.000 -1.647) 1.647 11.532 ( 0.000 0.000 -5.313) 5.313 11.681 ( 0.000 0.000 14.752) 14.752 11.828 ( 0.000 0.000 -4.354) 4.354 11.843 ( 0.000 0.000 6.321) 6.321 12.328 ( 0.000 0.000 -24.005) 24.005 12.351 ( 0.000 0.000 -14.075) 14.075 12.415 ( 0.000 0.000 -15.184) 15.184 13.039 ( 0.000 0.000 0.629) 0.629 13.151 ( 0.000 0.000 -4.936) 4.936 13.541 ( 0.000 0.000 4.056) 4.056 13.598 ( 0.000 0.000 5.893) 5.893 13.689 ( 0.000 0.000 2.441) 2.441 13.725 ( 0.000 0.000 -3.884) 3.884 14.056 ( 0.000 0.000 -0.722) 0.722 14.200 ( 0.000 0.000 -5.470) 5.470 14.744 ( 0.000 0.000 6.928) 6.928 14.836 ( 0.000 0.000 -1.380) 1.380 14.848 ( 0.000 0.000 -1.586) 1.586 15.175 ( 0.000 0.000 -10.768) 10.768 15.493 ( 0.000 0.000 8.762) 8.762 15.602 ( 0.000 0.000 6.722) 6.722 15.917 ( 0.000 0.000 0.257) 0.257 15.955 ( 0.000 0.000 -1.816) 1.816 16.120 ( 0.000 0.000 12.922) 12.922 16.420 ( 0.000 0.000 3.869) 3.869 16.740 ( 0.000 0.000 -17.223) 17.223 16.828 ( 0.000 0.000 -15.478) 15.478 17.445 ( 0.000 0.000 2.566) 2.566 17.553 ( 0.000 0.000 -1.974) 1.974 17.936 ( 0.000 0.000 0.151) 0.151 17.942 ( 0.000 0.000 0.165) 0.165 18.374 ( 0.000 0.000 11.885) 11.885 18.682 ( 0.000 0.000 -3.501) 3.501 19.008 ( 0.000 0.000 11.850) 11.850 19.581 ( 0.000 0.000 -15.430) 15.430 20.591 ( 0.000 0.000 7.259) 7.259 20.835 ( 0.000 0.000 -4.620) 4.620 21.215 ( 0.000 0.000 3.041) 3.041 21.392 ( 0.000 0.000 -4.464) 4.464 21.761 ( 0.000 0.000 4.559) 4.559 21.809 ( 0.000 0.000 1.693) 1.693 ======================= Grid point 163 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 8.446 0.000 35.165) 36.165 1.721 ( 4.167 0.000 38.717) 38.941 2.956 ( 23.400 0.000 8.171) 24.785 3.164 ( 5.478 0.000 -27.673) 28.210 3.173 ( 18.046 0.000 13.383) 22.467 4.067 ( -6.142 0.000 -8.554) 10.530 4.078 ( -3.934 0.000 -4.212) 5.764 4.322 ( 3.255 0.000 4.605) 5.640 4.436 ( -5.547 0.000 3.393) 6.502 4.544 ( -5.519 0.000 -1.993) 5.867 4.596 ( -2.578 0.000 -6.789) 7.262 5.046 ( 7.205 0.000 -29.604) 30.468 5.208 ( 2.919 0.000 1.768) 3.413 5.390 ( 1.149 0.000 4.517) 4.661 5.475 ( 6.038 0.000 7.591) 9.700 5.576 ( 0.133 0.000 -13.804) 13.804 5.577 ( 1.648 0.000 -2.372) 2.888 5.801 ( 1.180 0.000 -7.724) 7.814 5.831 ( 8.703 0.000 0.862) 8.746 5.963 ( 6.879 0.000 -6.113) 9.203 6.340 ( 11.498 0.000 3.963) 12.162 6.401 ( 8.228 0.000 3.136) 8.805 7.009 ( 4.428 0.000 1.201) 4.588 7.284 ( 1.084 0.000 -11.371) 11.422 7.793 ( 0.246 0.000 7.478) 7.482 7.991 ( -0.992 0.000 -2.284) 2.490 8.354 ( -4.290 0.000 4.111) 5.942 8.410 ( -5.073 0.000 2.592) 5.697 8.864 ( 0.103 0.000 8.822) 8.822 9.126 ( -7.694 0.000 6.945) 10.365 9.135 ( -3.245 0.000 -1.699) 3.663 9.179 ( -2.897 0.000 3.403) 4.469 9.492 ( 11.561 0.000 2.678) 11.867 9.664 ( 19.175 0.000 -2.340) 19.317 9.879 ( 3.050 0.000 1.185) 3.272 9.990 ( -0.477 0.000 0.919) 1.035 10.362 ( -2.067 0.000 4.053) 4.549 10.365 ( -0.838 0.000 8.246) 8.289 10.682 ( 0.620 0.000 14.678) 14.691 10.974 ( 2.814 0.000 8.532) 8.984 11.129 ( -3.792 0.000 0.200) 3.797 11.190 ( -5.330 0.000 -1.290) 5.483 11.448 ( -6.886 0.000 -0.024) 6.886 11.502 ( -1.915 0.000 -0.959) 2.142 11.689 ( 0.529 0.000 14.776) 14.786 11.720 ( -7.779 0.000 -4.109) 8.797 11.925 ( 4.078 0.000 3.475) 5.358 12.200 ( -8.574 0.000 -21.835) 23.458 12.321 ( -2.823 0.000 -12.532) 12.846 12.512 ( 4.642 0.000 -16.871) 17.498 12.782 ( -16.303 0.000 8.403) 18.341 13.033 ( -10.080 0.000 -5.117) 11.304 13.432 ( -5.945 0.000 5.603) 8.169 13.673 ( -0.458 0.000 -6.153) 6.170 13.701 ( 7.164 0.000 3.762) 8.092 13.892 ( 8.134 0.000 -5.679) 9.920 14.272 ( 18.360 0.000 -2.901) 18.588 14.333 ( 9.634 0.000 -3.483) 10.244 14.746 ( 2.008 0.000 4.158) 4.618 14.852 ( 2.610 0.000 -1.737) 3.135 14.923 ( 6.949 0.000 -0.127) 6.950 15.192 ( 1.499 0.000 -10.068) 10.178 15.519 ( 2.673 0.000 8.624) 9.028 15.600 ( -0.233 0.000 6.927) 6.931 15.894 ( -5.173 0.000 1.131) 5.295 15.900 ( -1.729 0.000 -0.095) 1.732 16.157 ( 2.905 0.000 9.818) 10.238 16.405 ( -1.554 0.000 3.489) 3.819 16.690 ( -4.583 0.000 -14.435) 15.145 16.807 ( -2.726 0.000 -15.449) 15.688 17.330 ( -9.986 0.000 7.593) 12.545 17.523 ( -3.015 0.000 -2.917) 4.195 17.945 ( 1.077 0.000 0.148) 1.087 17.954 ( 1.184 0.000 -0.321) 1.226 18.387 ( 1.408 0.000 11.952) 12.034 18.695 ( 0.957 0.000 -3.405) 3.537 19.051 ( 4.796 0.000 11.210) 12.193 19.610 ( 3.077 0.000 -15.402) 15.706 20.658 ( 6.128 0.000 8.597) 10.557 20.954 ( 10.489 0.000 -6.239) 12.204 21.187 ( -2.707 0.000 1.132) 2.934 21.305 ( -8.485 0.000 -3.382) 9.134 21.745 ( -1.418 0.000 5.009) 5.206 21.805 ( -0.281 0.000 1.389) 1.417 ======================= Grid point 164 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 15.642 0.000 28.832) 32.802 1.966 ( 20.563 0.000 24.888) 32.284 3.135 ( 5.992 0.000 -25.658) 26.348 3.288 ( 7.200 0.000 -29.838) 30.695 3.833 ( 29.997 0.000 21.431) 36.866 3.926 ( -8.503 0.000 -7.278) 11.192 3.966 ( -8.742 0.000 1.119) 8.814 4.216 ( -8.706 0.000 3.124) 9.250 4.250 ( -9.830 0.000 -5.565) 11.296 4.516 ( 4.319 0.000 8.703) 9.716 4.593 ( -3.354 0.000 -7.162) 7.908 5.132 ( 6.041 0.000 -7.688) 9.778 5.343 ( 9.669 0.000 -2.374) 9.957 5.399 ( 1.148 0.000 0.529) 1.264 5.588 ( 5.593 0.000 3.359) 6.524 5.670 ( 7.047 0.000 0.497) 7.065 5.727 ( 7.904 0.000 -1.434) 8.033 5.885 ( 11.806 0.000 -14.410) 18.629 6.007 ( 10.778 0.000 1.457) 10.876 6.148 ( 13.478 0.000 -9.790) 16.658 6.599 ( 15.026 0.000 6.588) 16.407 6.604 ( 12.217 0.000 6.947) 14.054 7.125 ( 7.477 0.000 -1.411) 7.609 7.320 ( 2.692 0.000 -10.291) 10.637 7.782 ( -1.832 0.000 7.235) 7.464 7.951 ( -3.354 0.000 0.708) 3.428 8.249 ( -6.469 0.000 0.137) 6.470 8.271 ( -9.782 0.000 1.702) 9.929 8.849 ( -1.823 0.000 9.247) 9.425 9.012 ( -4.877 0.000 3.174) 5.819 9.018 ( -8.865 0.000 1.517) 8.994 9.126 ( -3.259 0.000 -0.942) 3.392 9.724 ( 11.465 0.000 4.140) 12.189 9.899 ( 4.310 0.000 -1.139) 4.459 9.984 ( -0.279 0.000 4.405) 4.413 10.014 ( 8.150 0.000 0.800) 8.189 10.318 ( -2.140 0.000 2.035) 2.953 10.403 ( 6.908 0.000 -0.336) 6.916 10.743 ( 6.710 0.000 9.060) 11.274 10.979 ( -4.044 0.000 2.887) 4.969 11.034 ( -5.692 0.000 0.806) 5.749 11.109 ( -0.585 0.000 2.303) 2.376 11.326 ( -5.447 0.000 6.725) 8.655 11.460 ( -2.394 0.000 0.180) 2.401 11.576 ( -5.959 0.000 -4.220) 7.302 11.697 ( 0.426 0.000 15.123) 15.129 11.966 ( 0.262 0.000 2.626) 2.639 12.041 ( -7.967 0.000 -21.097) 22.551 12.247 ( -5.842 0.000 -8.787) 10.552 12.492 ( -7.949 0.000 -11.787) 14.216 12.582 ( -4.123 0.000 8.229) 9.204 12.907 ( -1.423 0.000 -7.834) 7.962 13.350 ( -2.579 0.000 6.517) 7.009 13.663 ( -0.851 0.000 -7.610) 7.657 13.855 ( 8.880 0.000 0.909) 8.926 14.024 ( 6.315 0.000 -6.831) 9.302 14.450 ( 2.891 0.000 -0.253) 2.902 14.530 ( 7.764 0.000 -5.788) 9.684 14.843 ( 6.927 0.000 2.359) 7.318 14.964 ( 8.207 0.000 -3.151) 8.791 15.091 ( 10.201 0.000 -1.373) 10.293 15.223 ( 1.920 0.000 -6.583) 6.858 15.566 ( 0.862 0.000 7.453) 7.503 15.593 ( -0.524 0.000 7.386) 7.405 15.811 ( -1.920 0.000 1.593) 2.495 15.857 ( -2.542 0.000 -0.952) 2.714 16.208 ( 2.207 0.000 7.127) 7.460 16.365 ( -2.431 0.000 2.302) 3.348 16.587 ( -6.037 0.000 -10.039) 11.714 16.716 ( -6.677 0.000 -13.105) 14.708 17.153 ( -7.364 0.000 12.220) 14.267 17.445 ( -5.085 0.000 -4.016) 6.479 17.978 ( 2.336 0.000 0.070) 2.337 17.988 ( 2.473 0.000 -0.682) 2.565 18.425 ( 2.306 0.000 11.017) 11.256 18.694 ( -1.399 0.000 -1.720) 2.217 19.203 ( 11.345 0.000 8.684) 14.287 19.699 ( 6.299 0.000 -14.482) 15.793 20.748 ( 0.631 0.000 9.448) 9.469 21.078 ( -9.387 0.000 -6.224) 11.263 21.153 ( 1.038 0.000 -1.598) 1.905 21.181 ( 6.895 0.000 -2.207) 7.239 21.719 ( -1.022 0.000 5.670) 5.761 21.799 ( -0.469 0.000 0.838) 0.961 ======================= Grid point 165 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 20.716 0.000 21.488) 29.848 2.435 ( 27.430 0.000 10.030) 29.206 3.262 ( 6.827 0.000 -20.879) 21.967 3.429 ( 7.632 0.000 -28.562) 29.564 3.661 ( -20.166 0.000 5.171) 20.818 3.738 ( -12.051 0.000 -6.580) 13.730 3.899 ( -6.371 0.000 -12.960) 14.441 4.020 ( -13.511 0.000 -10.544) 17.138 4.205 ( -3.499 0.000 -1.036) 3.649 4.407 ( -13.139 0.000 -10.769) 16.989 4.981 ( 33.570 0.000 23.180) 40.795 5.296 ( 8.038 0.000 0.024) 8.038 5.443 ( 3.337 0.000 2.455) 4.143 5.486 ( 4.397 0.000 -1.212) 4.561 5.726 ( 10.194 0.000 2.583) 10.516 5.792 ( 1.857 0.000 1.973) 2.709 5.806 ( 8.469 0.000 4.726) 9.699 6.176 ( 14.014 0.000 0.082) 14.014 6.256 ( 14.906 0.000 0.571) 14.917 6.499 ( 22.776 0.000 -18.111) 29.099 6.835 ( 11.797 0.000 10.332) 15.681 6.880 ( 13.770 0.000 10.635) 17.398 7.261 ( 4.525 0.000 -2.578) 5.208 7.371 ( 1.832 0.000 -7.609) 7.827 7.716 ( -4.066 0.000 5.355) 6.724 7.855 ( -6.988 0.000 3.651) 7.884 8.040 ( -13.797 0.000 2.965) 14.112 8.126 ( -6.154 0.000 -4.655) 7.717 8.785 ( -5.249 0.000 8.342) 9.856 8.827 ( -10.129 0.000 0.006) 10.129 8.936 ( -2.780 0.000 -3.258) 4.282 9.051 ( -4.512 0.000 -2.454) 5.136 9.898 ( 7.036 0.000 4.449) 8.324 9.937 ( -0.100 0.000 3.115) 3.117 9.975 ( -0.406 0.000 3.383) 3.408 10.067 ( 0.601 0.000 -0.773) 0.979 10.281 ( -1.931 0.000 1.930) 2.730 10.496 ( -2.666 0.000 -5.836) 6.416 10.881 ( -0.177 0.000 3.420) 3.425 10.905 ( -3.005 0.000 4.521) 5.429 10.995 ( 8.952 0.000 3.836) 9.739 11.191 ( 10.725 0.000 -0.202) 10.727 11.262 ( -0.967 0.000 5.449) 5.534 11.417 ( -2.115 0.000 0.912) 2.303 11.525 ( 0.587 0.000 -0.512) 0.779 11.716 ( 1.944 0.000 14.280) 14.411 11.910 ( -5.496 0.000 -18.998) 19.777 11.945 ( -2.358 0.000 -0.003) 2.358 12.095 ( -9.216 0.000 0.017) 9.216 12.275 ( -13.467 0.000 -5.123) 14.408 12.599 ( 4.291 0.000 2.577) 5.005 12.897 ( -1.956 0.000 -7.937) 8.174 13.351 ( 2.874 0.000 3.457) 4.496 13.630 ( -2.910 0.000 -7.673) 8.206 14.024 ( 8.392 0.000 -2.176) 8.670 14.125 ( 4.133 0.000 -6.053) 7.329 14.494 ( 2.924 0.000 1.442) 3.260 14.623 ( 3.331 0.000 -5.921) 6.793 14.955 ( 4.235 0.000 1.335) 4.440 15.068 ( 1.102 0.000 -2.769) 2.980 15.275 ( 8.293 0.000 -2.389) 8.630 15.282 ( 4.429 0.000 -1.844) 4.797 15.541 ( -1.741 0.000 7.003) 7.216 15.582 ( -0.594 0.000 7.822) 7.845 15.813 ( -1.835 0.000 -2.093) 2.784 15.833 ( 2.328 0.000 -2.204) 3.205 16.232 ( 0.407 0.000 4.762) 4.780 16.334 ( -0.077 0.000 0.631) 0.636 16.468 ( -6.427 0.000 -6.046) 8.824 16.574 ( -7.748 0.000 -9.445) 12.217 17.075 ( -0.762 0.000 11.717) 11.741 17.337 ( -6.206 0.000 -2.302) 6.619 18.030 ( 2.911 0.000 -0.025) 2.911 18.044 ( 3.082 0.000 -1.004) 3.242 18.464 ( 1.777 0.000 8.897) 9.073 18.643 ( -3.757 0.000 0.665) 3.815 19.464 ( 15.482 0.000 5.977) 16.596 19.837 ( 7.638 0.000 -10.994) 13.387 20.649 ( -9.097 0.000 2.880) 9.542 20.841 ( -13.206 0.000 -6.644) 14.783 21.244 ( 6.889 0.000 1.910) 7.148 21.322 ( 5.785 0.000 -0.029) 5.786 21.712 ( 0.266 0.000 5.045) 5.052 21.785 ( -1.064 0.000 0.587) 1.215 ======================= Grid point 166 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 23.260 0.000 14.738) 27.536 2.953 ( 24.911 0.000 0.676) 24.920 3.161 ( -19.303 0.000 5.899) 20.184 3.426 ( -20.187 0.000 -6.316) 21.152 3.510 ( 7.879 0.000 -14.371) 16.389 3.576 ( 5.681 0.000 -21.308) 22.052 3.769 ( -6.983 0.000 -18.854) 20.106 3.772 ( -11.145 0.000 -16.094) 19.576 4.147 ( -0.941 0.000 -5.330) 5.413 4.201 ( -7.110 0.000 -7.974) 10.684 5.356 ( 6.653 0.000 3.090) 7.335 5.384 ( 1.723 0.000 -1.389) 2.213 5.508 ( 2.654 0.000 2.888) 3.922 5.527 ( 0.573 0.000 0.887) 1.056 5.823 ( 1.261 0.000 1.866) 2.252 5.827 ( 1.358 0.000 0.972) 1.670 6.185 ( 22.977 0.000 17.808) 29.070 6.348 ( 2.877 0.000 6.777) 7.363 6.551 ( 18.651 0.000 3.078) 18.903 6.877 ( 6.930 0.000 -1.029) 7.006 7.024 ( 6.618 0.000 9.923) 11.928 7.062 ( -1.060 0.000 9.353) 9.413 7.166 ( -2.002 0.000 1.768) 2.671 7.337 ( -7.172 0.000 -4.268) 8.346 7.719 ( -4.631 0.000 2.856) 5.441 7.730 ( 0.226 0.000 -4.012) 4.019 7.853 ( 1.236 0.000 1.775) 2.163 8.006 ( -7.634 0.000 -6.975) 10.341 8.674 ( -4.533 0.000 2.058) 4.979 8.676 ( -4.851 0.000 -1.487) 5.073 8.920 ( 0.998 0.000 -4.721) 4.825 8.968 ( -3.835 0.000 -3.948) 5.503 9.926 ( 0.031 0.000 3.623) 3.623 9.944 ( -1.222 0.000 3.943) 4.128 10.028 ( 4.885 0.000 0.014) 4.885 10.078 ( -0.240 0.000 -1.751) 1.768 10.265 ( 1.395 0.000 0.717) 1.568 10.361 ( -8.142 0.000 -1.756) 8.329 10.833 ( -1.614 0.000 5.315) 5.555 10.844 ( -2.584 0.000 5.900) 6.441 11.212 ( 8.810 0.000 4.129) 9.729 11.271 ( 0.818 0.000 3.337) 3.436 11.372 ( 2.806 0.000 -1.126) 3.024 11.383 ( -1.150 0.000 0.203) 1.168 11.660 ( 15.242 0.000 -1.312) 15.298 11.777 ( 4.375 0.000 8.202) 9.296 11.854 ( -0.016 0.000 -12.205) 12.205 11.873 ( -5.063 0.000 -1.611) 5.313 11.939 ( -6.480 0.000 4.008) 7.619 11.995 ( -15.907 0.000 -0.284) 15.909 12.703 ( 6.144 0.000 -1.019) 6.228 12.819 ( -5.685 0.000 -4.063) 6.988 13.441 ( 5.885 0.000 -2.020) 6.222 13.551 ( -5.307 0.000 -5.841) 7.892 14.145 ( 3.867 0.000 -4.204) 5.712 14.172 ( 0.692 0.000 -4.826) 4.876 14.580 ( 5.680 0.000 0.223) 5.685 14.655 ( -0.923 0.000 -4.316) 4.413 14.999 ( 0.970 0.000 0.352) 1.032 15.031 ( -2.976 0.000 -0.008) 2.976 15.364 ( 3.338 0.000 -0.092) 3.339 15.379 ( 2.308 0.000 -1.580) 2.797 15.541 ( 1.391 0.000 6.220) 6.374 15.568 ( -1.067 0.000 7.664) 7.738 15.802 ( 0.958 0.000 -3.656) 3.779 15.839 ( -1.861 0.000 -4.184) 4.579 16.259 ( 3.247 0.000 1.206) 3.463 16.349 ( -5.864 0.000 -2.634) 6.429 16.364 ( 2.932 0.000 -1.678) 3.378 16.444 ( -5.629 0.000 -5.303) 7.733 17.113 ( 4.244 0.000 7.603) 8.708 17.217 ( -6.272 0.000 2.156) 6.632 18.078 ( 1.868 0.000 -0.376) 1.906 18.087 ( 1.088 0.000 -0.977) 1.462 18.501 ( 2.520 0.000 6.116) 6.615 18.565 ( -4.097 0.000 3.137) 5.160 19.756 ( 14.154 0.000 3.779) 14.649 19.923 ( -1.346 0.000 -2.526) 2.862 20.511 ( -2.207 0.000 -5.499) 5.925 20.608 ( -10.474 0.000 -8.791) 13.674 21.356 ( 4.133 0.000 4.011) 5.760 21.387 ( 0.956 0.000 3.167) 3.308 21.728 ( 1.356 0.000 2.958) 3.254 21.758 ( -1.656 0.000 1.129) 2.004 ======================= Grid point 171 (56/100) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.000 6.364 35.854) 36.414 1.816 ( 0.000 8.141 37.090) 37.973 2.896 ( 0.000 22.140 16.432) 27.572 3.130 ( 0.000 2.405 -25.465) 25.578 3.185 ( 0.000 15.499 4.743) 16.208 4.118 ( 0.000 0.210 -6.506) 6.510 4.192 ( 0.000 3.967 -8.625) 9.494 4.195 ( 0.000 -6.408 7.464) 9.837 4.435 ( 0.000 -2.018 -0.780) 2.163 4.590 ( 0.000 -3.934 -2.490) 4.656 4.629 ( 0.000 -3.029 -4.700) 5.591 5.019 ( 0.000 10.113 -34.199) 35.663 5.218 ( 0.000 1.656 7.717) 7.892 5.385 ( 0.000 0.543 6.439) 6.462 5.411 ( 0.000 0.802 5.346) 5.405 5.556 ( 0.000 -4.404 -1.749) 4.739 5.683 ( 0.000 -0.709 0.058) 0.711 5.700 ( 0.000 7.382 -7.576) 10.578 5.785 ( 0.000 -1.757 -15.779) 15.877 5.825 ( 0.000 -4.833 -3.063) 5.722 6.212 ( 0.000 -0.184 4.495) 4.499 6.364 ( 0.000 3.871 -2.082) 4.395 7.033 ( 0.000 5.869 2.722) 6.469 7.331 ( 0.000 4.695 -10.286) 11.307 7.827 ( 0.000 4.035 8.384) 9.305 8.081 ( 0.000 8.235 -4.165) 9.229 8.376 ( 0.000 -1.894 6.233) 6.514 8.457 ( 0.000 -0.067 2.441) 2.441 8.961 ( 0.000 10.013 8.937) 13.421 9.135 ( 0.000 -7.071 10.160) 12.379 9.244 ( 0.000 6.922 -3.815) 7.904 9.316 ( 0.000 -3.894 5.352) 6.618 9.337 ( 0.000 2.473 0.982) 2.661 9.414 ( 0.000 7.586 -3.139) 8.210 9.930 ( 0.000 7.717 2.028) 7.979 10.040 ( 0.000 2.928 1.534) 3.305 10.363 ( 0.000 -0.798 7.994) 8.034 10.394 ( 0.000 0.390 6.820) 6.831 10.773 ( 0.000 8.197 10.268) 13.139 10.959 ( 0.000 1.876 9.322) 9.508 11.132 ( 0.000 -3.562 0.399) 3.584 11.215 ( 0.000 -3.375 -4.716) 5.799 11.486 ( 0.000 -2.337 0.424) 2.375 11.547 ( 0.000 -0.121 -5.429) 5.431 11.660 ( 0.000 -1.947 13.833) 13.969 11.783 ( 0.000 -3.415 -2.249) 4.089 11.832 ( 0.000 -1.108 7.541) 7.622 12.316 ( 0.000 -3.611 -13.568) 14.040 12.380 ( 0.000 5.084 -24.934) 25.447 12.410 ( 0.000 -0.564 -14.427) 14.438 13.033 ( 0.000 -0.336 0.796) 0.864 13.178 ( 0.000 2.406 -5.877) 6.350 13.431 ( 0.000 -12.785 14.950) 19.672 13.504 ( 0.000 -3.306 4.878) 5.893 13.738 ( 0.000 0.933 -4.997) 5.084 13.760 ( 0.000 4.117 -0.409) 4.137 13.989 ( 0.000 -5.106 -0.729) 5.158 14.186 ( 0.000 -0.790 -6.737) 6.784 14.774 ( 0.000 -4.503 0.795) 4.573 14.830 ( 0.000 6.405 2.111) 6.744 14.853 ( 0.000 -1.097 -2.076) 2.348 15.134 ( 0.000 -3.771 -9.139) 9.886 15.508 ( 0.000 1.545 9.244) 9.372 15.623 ( 0.000 2.221 6.515) 6.883 15.879 ( 0.000 -0.328 4.821) 4.832 16.064 ( 0.000 5.425 -6.049) 8.125 16.154 ( 0.000 3.313 11.702) 12.162 16.431 ( 0.000 1.957 3.577) 4.077 16.743 ( 0.000 0.223 -16.643) 16.644 16.874 ( 0.000 4.391 -16.320) 16.900 17.438 ( 0.000 2.016 6.508) 6.814 17.706 ( 0.000 12.158 -6.422) 13.750 17.934 ( 0.000 -0.196 0.518) 0.554 17.950 ( 0.000 0.798 0.051) 0.799 18.357 ( 0.000 -1.742 11.506) 11.637 18.661 ( 0.000 -2.157 -3.568) 4.169 18.989 ( 0.000 -1.647 12.282) 12.392 19.546 ( 0.000 -2.871 -13.537) 13.838 20.485 ( 0.000 -9.859 8.205) 12.827 20.747 ( 0.000 -7.247 -5.440) 9.062 21.233 ( 0.000 1.854 4.715) 5.066 21.417 ( 0.000 1.746 -1.844) 2.540 21.788 ( 0.000 1.592 3.328) 3.690 21.881 ( 0.000 6.625 -1.474) 6.787 ======================= Grid point 172 (57/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.614 5.555 32.714) 33.654 2.058 ( 15.501 18.591 31.146) 39.446 2.995 ( 4.478 1.736 -23.729) 24.210 3.241 ( 14.293 10.515 -9.320) 20.043 3.362 ( 19.745 18.261 23.462) 35.690 4.082 ( -3.792 1.165 -7.458) 8.447 4.129 ( -5.511 3.781 -6.280) 9.171 4.250 ( 2.928 -5.473 4.426) 7.623 4.477 ( 2.543 1.246 2.081) 3.514 4.529 ( -5.450 -1.280 -2.573) 6.161 4.589 ( -2.429 -0.494 -5.824) 6.330 5.106 ( 4.858 6.398 -24.719) 25.991 5.193 ( 0.134 -1.055 3.106) 3.283 5.405 ( 1.077 1.478 3.380) 3.843 5.467 ( 5.068 -1.366 8.354) 9.866 5.541 ( 0.856 -2.479 -2.203) 3.425 5.597 ( -0.122 1.199 -12.525) 12.583 5.792 ( 6.699 0.926 -1.224) 6.872 5.837 ( 5.836 -0.377 -2.877) 6.517 5.907 ( 4.723 -3.494 -8.258) 10.134 6.331 ( 10.987 -0.444 3.279) 11.474 6.454 ( 9.208 3.416 -0.975) 9.870 7.033 ( 0.396 2.606 2.477) 3.617 7.312 ( -1.687 2.267 -9.715) 10.118 7.833 ( 0.259 4.136 8.372) 9.342 8.096 ( 1.020 10.103 -3.331) 10.687 8.337 ( -3.885 -1.610 4.346) 6.047 8.417 ( -4.031 0.935 1.609) 4.440 8.961 ( -0.825 8.801 10.292) 13.567 9.077 ( -3.291 -2.959 6.355) 7.744 9.159 ( -6.722 -0.126 2.855) 7.304 9.262 ( -0.773 9.281 -2.791) 9.723 9.514 ( 9.963 2.631 1.113) 10.365 9.627 ( 18.765 -2.054 -1.675) 18.951 9.964 ( 3.384 7.578 1.580) 8.448 10.014 ( -2.363 1.846 2.876) 4.155 10.338 ( -2.324 -1.237 6.634) 7.138 10.384 ( -0.622 0.830 5.265) 5.366 10.769 ( 0.050 7.681 9.447) 12.176 10.990 ( 2.552 1.547 6.829) 7.452 11.091 ( -4.073 -3.857 0.306) 5.618 11.171 ( -4.396 -2.301 -2.124) 5.397 11.460 ( -4.562 1.250 1.698) 5.026 11.474 ( -3.536 -2.788 -1.380) 4.710 11.638 ( -4.421 -4.879 4.475) 7.961 11.715 ( -2.357 0.000 7.295) 7.667 11.910 ( 4.238 -1.329 4.562) 6.367 12.237 ( -8.356 3.421 -21.435) 23.259 12.290 ( -2.701 -3.305 -12.146) 12.874 12.510 ( 3.092 -0.224 -15.034) 15.351 12.794 ( -14.299 1.428 6.697) 15.854 13.067 ( -8.826 3.065 -6.000) 11.104 13.431 ( -3.947 -0.574 5.619) 6.891 13.612 ( 7.688 -6.438 1.511) 10.141 13.713 ( 2.119 1.970 -1.689) 3.350 13.883 ( 6.938 -1.031 -4.124) 8.137 14.179 ( 17.567 -6.993 -0.940) 18.931 14.315 ( 9.481 -1.453 -4.778) 10.716 14.746 ( -0.138 -0.568 0.737) 0.941 14.862 ( 2.181 -2.954 -2.746) 4.585 14.927 ( 7.309 3.114 1.140) 8.026 15.157 ( 2.082 -3.254 -8.046) 8.925 15.542 ( 3.508 2.167 8.553) 9.495 15.625 ( 0.187 2.551 6.713) 7.184 15.836 ( -4.248 -0.666 5.480) 6.966 16.024 ( -3.103 5.756 -3.800) 7.563 16.192 ( 2.775 3.292 8.155) 9.222 16.411 ( -2.005 1.438 3.416) 4.214 16.709 ( -3.372 1.314 -14.194) 14.649 16.836 ( -4.061 3.188 -15.717) 16.543 17.362 ( -7.454 3.741 8.606) 11.984 17.629 ( -6.523 9.308 -4.385) 12.183 17.936 ( 0.264 -0.618 0.613) 0.910 17.970 ( 1.643 1.389 -1.283) 2.505 18.366 ( 1.183 -2.061 11.576) 11.818 18.668 ( 0.525 -2.728 -3.335) 4.341 19.040 ( 5.537 -0.772 11.399) 12.697 19.587 ( 4.099 -1.791 -14.246) 14.932 20.573 ( 7.933 -8.637 8.094) 14.249 20.833 ( 7.783 -9.305 -5.080) 13.152 21.199 ( -3.398 1.437 3.208) 4.889 21.353 ( -6.180 3.098 -2.269) 7.276 21.773 ( -1.525 1.615 3.669) 4.289 21.857 ( -1.918 5.214 -0.480) 5.576 ======================= Grid point 173 (58/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 21.928 7.045 19.529) 30.197 2.339 ( 15.009 24.722 25.193) 38.355 3.080 ( 5.971 -1.479 -28.700) 29.352 3.456 ( 9.021 12.445 -22.925) 27.601 3.905 ( 22.047 6.707 14.774) 27.374 3.956 ( -8.944 2.859 -6.692) 11.531 4.030 ( -4.772 5.911 1.979) 7.850 4.195 ( -5.763 0.615 -2.267) 6.223 4.360 ( -8.061 8.498 1.338) 11.789 4.539 ( 5.678 2.303 8.683) 10.627 4.607 ( 0.492 1.042 -5.322) 5.445 5.112 ( 1.767 -1.801 -7.688) 8.091 5.323 ( 10.273 -1.218 -2.377) 10.615 5.393 ( 0.526 -0.673 0.033) 0.855 5.586 ( 5.356 -0.103 4.900) 7.260 5.618 ( 7.527 -5.318 2.812) 9.636 5.760 ( 10.683 2.953 -0.826) 11.114 5.928 ( 10.764 2.797 -7.001) 13.142 5.967 ( 5.633 -1.313 -4.708) 7.458 6.071 ( 15.756 -6.466 -8.660) 19.106 6.561 ( 12.240 -0.469 2.787) 12.562 6.689 ( 14.677 2.657 2.221) 15.080 7.060 ( 2.567 -4.449 0.192) 5.140 7.283 ( -1.043 -3.209 -8.097) 8.772 7.817 ( -2.463 3.487 8.697) 9.688 8.092 ( -2.332 11.529 2.450) 12.015 8.245 ( -5.258 0.405 -2.366) 5.780 8.304 ( -8.134 3.362 1.045) 8.863 8.916 ( -3.609 4.309 10.541) 11.946 9.016 ( -7.990 -0.656 2.526) 8.406 9.041 ( -2.004 4.672 1.128) 5.207 9.219 ( -3.403 10.207 -2.466) 11.039 9.715 ( 9.017 -0.333 4.721) 10.184 9.939 ( 9.300 1.617 -1.425) 9.546 9.979 ( 1.379 -0.392 3.089) 3.405 10.035 ( 2.630 3.661 1.516) 4.757 10.299 ( -1.218 -1.637 3.414) 3.977 10.419 ( 6.188 1.630 -0.765) 6.445 10.798 ( 3.236 4.684 6.800) 8.869 10.985 ( -5.509 -1.716 1.207) 5.895 11.008 ( -3.186 -0.338 1.976) 3.764 11.099 ( -0.408 -1.083 1.531) 1.919 11.354 ( -5.054 1.391 3.562) 6.338 11.439 ( -0.987 -1.473 1.903) 2.602 11.520 ( -5.750 -4.347 -1.233) 7.313 11.705 ( 0.269 0.668 13.156) 13.175 11.954 ( 0.195 -0.912 3.319) 3.447 12.086 ( -7.492 3.751 -19.419) 21.149 12.212 ( -6.037 -3.340 -8.442) 10.903 12.484 ( -4.225 -1.207 -6.148) 7.557 12.605 ( -7.365 2.899 2.287) 8.239 12.948 ( -2.603 3.637 -9.156) 10.190 13.387 ( -0.121 3.425 6.294) 7.166 13.682 ( 1.522 1.503 -6.856) 7.182 13.830 ( 8.422 -1.734 1.910) 8.808 14.011 ( 6.635 -1.567 -5.820) 8.964 14.430 ( 3.417 -1.816 -0.596) 3.915 14.483 ( 11.372 -4.642 -4.302) 13.015 14.787 ( 4.162 -3.029 1.171) 5.279 14.953 ( 6.238 -4.023 -5.728) 9.376 15.090 ( 9.512 1.092 0.159) 9.576 15.209 ( 3.704 -1.467 -4.274) 5.843 15.602 ( 0.775 3.456 7.086) 7.922 15.644 ( 1.932 4.827 6.594) 8.397 15.752 ( -2.521 -2.030 4.927) 5.895 15.965 ( -2.993 6.183 -4.290) 8.099 16.238 ( 1.887 2.969 5.976) 6.935 16.363 ( -2.628 0.434 2.704) 3.795 16.626 ( -5.185 3.192 -9.683) 11.438 16.724 ( -7.314 1.338 -12.637) 14.662 17.206 ( -7.610 5.091 11.149) 14.427 17.497 ( -7.211 4.989 -3.739) 9.532 17.953 ( 1.711 -1.817 0.769) 2.612 18.004 ( 2.074 0.984 -1.867) 2.959 18.400 ( 2.085 -2.455 10.455) 10.940 18.662 ( -1.576 -3.366 -1.653) 4.068 19.206 ( 11.953 0.617 8.637) 14.760 19.693 ( 6.893 -0.370 -14.011) 15.619 20.711 ( 4.121 -4.560 8.566) 10.543 20.944 ( 0.117 -9.365 -2.566) 9.711 21.149 ( 0.935 -1.965 -0.194) 2.185 21.230 ( -4.581 4.074 -4.033) 7.338 21.739 ( -1.766 1.182 4.859) 5.304 21.826 ( -1.422 2.761 0.139) 3.109 ======================= Grid point 174 (59/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 27.205 9.662 9.661) 30.443 2.650 ( 18.177 19.908 16.806) 31.767 3.230 ( 9.449 0.097 -23.604) 25.426 3.585 ( 2.743 11.647 -17.579) 21.265 3.735 ( -12.356 6.641 -2.639) 14.274 3.816 ( -14.435 8.305 -2.653) 16.863 3.947 ( -6.625 4.833 -12.961) 15.338 4.099 ( -9.689 7.321 -10.320) 15.936 4.245 ( -4.464 4.369 -0.496) 6.266 4.454 ( -11.654 4.625 -10.227) 16.180 5.005 ( 29.917 2.377 19.715) 35.907 5.242 ( 8.197 -5.469 0.431) 9.864 5.428 ( 2.812 -1.222 2.311) 3.839 5.478 ( 5.012 -0.908 -0.654) 5.135 5.722 ( 10.663 0.983 5.938) 12.244 5.778 ( 9.951 -3.442 6.951) 12.617 5.878 ( 3.201 7.333 2.313) 8.329 6.111 ( 9.368 -7.887 0.090) 12.247 6.210 ( 16.601 -1.188 -2.190) 16.787 6.456 ( 22.534 -4.995 -13.075) 26.527 6.783 ( 11.436 -1.831 2.705) 11.893 6.950 ( 10.810 2.981 7.398) 13.434 7.122 ( 2.589 -11.555 -3.611) 12.380 7.286 ( 2.288 -7.265 -5.184) 9.214 7.732 ( -6.177 1.751 7.798) 10.101 7.987 ( -8.095 7.155 7.669) 13.249 8.071 ( -14.390 3.850 0.302) 14.899 8.181 ( -3.751 7.322 -5.745) 10.034 8.830 ( -5.675 3.100 4.165) 7.692 8.844 ( -8.690 1.692 1.901) 9.055 9.014 ( -0.905 8.397 -1.937) 8.665 9.145 ( -4.200 9.913 -2.307) 11.011 9.824 ( 3.475 -4.122 7.165) 8.967 9.945 ( -1.515 -0.354 4.827) 5.072 10.031 ( -1.607 2.084 -0.169) 2.637 10.100 ( 5.140 4.223 -2.142) 6.988 10.291 ( -0.060 0.950 2.174) 2.374 10.511 ( -1.983 1.571 -5.630) 6.173 10.836 ( -1.577 -2.720 6.062) 6.829 10.906 ( -2.740 -0.776 2.570) 3.836 11.015 ( 7.870 1.357 3.111) 8.571 11.187 ( 9.937 -0.655 0.904) 10.000 11.288 ( -0.996 0.664 0.417) 1.267 11.430 ( -1.112 3.129 4.486) 5.582 11.462 ( 0.598 -5.896 -1.332) 6.074 11.721 ( 1.611 0.445 12.221) 12.335 11.923 ( -3.072 0.372 -4.467) 5.434 11.963 ( -5.184 1.869 -9.499) 10.982 12.064 ( -8.632 -2.321 -0.942) 8.988 12.331 ( -11.592 5.276 -6.744) 14.412 12.562 ( 2.319 -3.141 2.890) 4.857 12.909 ( -2.932 1.031 -9.267) 9.775 13.435 ( 4.780 7.777 3.563) 9.799 13.692 ( -0.571 6.211 -6.848) 9.262 13.991 ( 7.870 -2.804 -0.624) 8.378 14.122 ( 4.707 -0.976 -5.874) 7.591 14.475 ( 2.546 -1.323 1.757) 3.364 14.627 ( 5.048 -0.346 -5.890) 7.764 14.877 ( 4.188 -6.025 0.950) 7.399 15.022 ( 0.254 -5.135 -4.564) 6.875 15.254 ( 6.999 0.225 0.512) 7.021 15.311 ( 6.689 0.378 -1.721) 6.917 15.586 ( -1.555 4.522 7.151) 8.603 15.625 ( -1.802 3.362 7.054) 8.019 15.795 ( 3.773 1.456 -0.731) 4.110 15.918 ( -1.843 5.674 -5.497) 8.112 16.255 ( 0.165 2.215 4.069) 4.636 16.336 ( 0.164 0.531 1.185) 1.309 16.514 ( -6.643 4.354 -6.041) 9.979 16.586 ( -6.488 1.163 -8.292) 10.593 17.105 ( -2.645 3.005 10.963) 11.671 17.359 ( -7.213 2.109 -1.923) 7.758 17.998 ( 2.786 -2.681 0.586) 3.910 18.048 ( 2.435 -0.020 -1.885) 3.079 18.432 ( 1.198 -3.187 8.314) 8.984 18.610 ( -3.527 -3.358 0.532) 4.899 19.474 ( 15.649 1.346 5.790) 16.740 19.838 ( 7.880 0.260 -10.932) 13.479 20.654 ( -8.887 0.418 3.938) 9.729 20.834 ( -9.177 -1.568 -4.393) 10.295 21.210 ( 4.732 -3.086 0.907) 5.722 21.261 ( 5.051 -5.103 -0.690) 7.213 21.717 ( -0.391 0.140 4.825) 4.843 21.799 ( -1.518 1.321 0.248) 2.027 ======================= Grid point 175 (60/100) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 23.107 14.903 9.536) 29.103 3.038 ( 22.635 8.943 3.318) 24.563 3.281 ( -14.227 10.933 3.165) 18.220 3.470 ( -15.021 4.379 -7.915) 17.534 3.524 ( 1.825 5.180 -10.617) 11.953 3.702 ( -1.912 8.980 -15.226) 17.780 3.776 ( -7.760 5.531 -17.540) 19.961 3.954 ( -4.138 13.594 -17.027) 22.177 4.174 ( -2.565 3.351 -4.487) 6.160 4.286 ( -4.539 7.680 -8.664) 12.436 5.322 ( 5.093 -3.624 1.956) 6.550 5.341 ( 2.481 -4.008 -0.891) 4.797 5.481 ( 1.871 -2.246 3.165) 4.309 5.533 ( 1.393 -0.276 1.832) 2.318 5.831 ( 2.146 1.679 4.321) 5.108 5.915 ( 0.943 7.598 1.189) 7.748 6.150 ( 16.791 -4.873 14.580) 22.765 6.280 ( 8.820 -5.019 7.446) 12.586 6.510 ( 17.791 -2.785 1.333) 18.057 6.808 ( 10.822 -8.480 -0.266) 13.751 6.913 ( -10.854 -6.091 3.830) 13.023 7.052 ( -1.321 -7.450 -0.766) 7.605 7.094 ( 7.504 -1.050 5.442) 9.329 7.400 ( 5.368 0.986 -0.881) 5.528 7.607 ( -6.315 -4.348 2.729) 8.138 7.807 ( -9.579 -3.081 4.900) 11.192 7.867 ( -2.234 7.705 -1.513) 8.164 8.102 ( -4.307 8.963 -5.582) 11.403 8.706 ( -4.453 2.631 -1.530) 5.394 8.741 ( -3.077 6.435 -0.341) 7.141 9.017 ( 1.338 9.670 -2.822) 10.162 9.069 ( -3.493 9.935 -2.987) 10.946 9.876 ( 2.219 -4.739 7.558) 9.192 9.916 ( -1.491 -1.843 4.992) 5.526 10.005 ( -0.717 0.622 -2.426) 2.605 10.175 ( 2.794 5.050 -3.411) 6.704 10.298 ( 1.424 2.840 0.650) 3.243 10.391 ( -7.322 3.153 -1.396) 8.094 10.796 ( -1.267 -1.808 7.944) 8.245 10.854 ( -2.079 0.011 4.008) 4.515 11.178 ( 5.069 -2.458 1.020) 5.725 11.300 ( 2.577 -1.541 1.375) 3.303 11.361 ( 3.104 -0.819 -0.294) 3.224 11.413 ( -0.477 5.588 4.122) 6.960 11.570 ( 10.395 -6.903 -4.559) 13.285 11.758 ( 1.649 -2.017 6.782) 7.265 11.866 ( -5.491 -2.047 -3.219) 6.686 11.880 ( -2.714 -0.075 4.778) 5.495 11.943 ( 0.403 4.957 -4.639) 6.801 12.098 ( -12.009 7.688 -4.403) 14.923 12.620 ( 2.606 -5.842 -0.704) 6.435 12.844 ( -2.868 1.046 -6.477) 7.160 13.536 ( 4.712 8.535 -0.587) 9.767 13.658 ( -2.614 10.699 -5.117) 12.145 14.097 ( 2.863 -3.424 -1.986) 4.885 14.182 ( 1.566 -0.695 -5.156) 5.433 14.538 ( 3.183 -2.641 1.048) 4.267 14.699 ( 2.310 3.062 -5.440) 6.656 14.924 ( 1.004 -6.201 0.272) 6.288 14.983 ( -2.853 -4.941 -1.591) 5.923 15.349 ( 2.922 0.066 2.790) 4.040 15.414 ( 3.129 0.504 -1.469) 3.494 15.577 ( 0.529 3.711 5.593) 6.733 15.596 ( -1.331 3.380 6.747) 7.663 15.833 ( 0.531 3.726 -3.495) 5.136 15.895 ( -0.753 4.930 -6.716) 8.365 16.280 ( 2.800 1.786 1.724) 3.742 16.354 ( 1.028 0.413 -1.489) 1.855 16.389 ( -5.683 3.802 -3.379) 7.627 16.495 ( -2.916 4.009 -3.943) 6.334 17.105 ( 1.924 -0.437 8.088) 8.325 17.235 ( -5.195 1.405 1.994) 5.739 18.045 ( 1.669 -2.962 0.081) 3.401 18.085 ( 1.066 -0.680 -1.674) 2.098 18.451 ( 0.829 -4.823 6.101) 7.821 18.546 ( -2.615 -2.353 2.445) 4.284 19.761 ( 13.014 0.919 3.313) 13.461 19.936 ( 0.216 1.189 -3.407) 3.615 20.489 ( -5.665 -0.662 -2.198) 6.113 20.666 ( -6.587 3.866 -8.453) 11.392 21.295 ( 2.917 -5.588 3.939) 7.433 21.332 ( 1.956 -5.310 2.041) 6.016 21.722 ( 0.618 -0.700 3.000) 3.141 21.769 ( -1.324 0.774 0.904) 1.780 ======================= Grid point 180 (61/100) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 20.322 22.904) 30.619 2.039 ( 0.000 14.712 30.825) 34.156 3.126 ( 0.000 7.172 -29.000) 29.874 3.195 ( 0.000 4.052 -23.111) 23.463 3.742 ( 0.000 27.253 25.445) 37.285 4.030 ( 0.000 -10.489 6.616) 12.401 4.087 ( 0.000 -4.096 -8.343) 9.294 4.282 ( 0.000 11.036 0.993) 11.081 4.350 ( 0.000 -6.934 -5.811) 9.047 4.494 ( 0.000 -5.279 -2.929) 6.037 4.558 ( 0.000 -4.154 -5.884) 7.203 5.257 ( 0.000 1.845 9.012) 9.199 5.276 ( 0.000 13.022 -10.891) 16.976 5.393 ( 0.000 0.055 5.816) 5.816 5.454 ( 0.000 5.788 -5.635) 8.078 5.467 ( 0.000 -3.689 0.159) 3.693 5.682 ( 0.000 0.671 3.007) 3.081 5.717 ( 0.000 -3.935 -3.633) 5.355 5.741 ( 0.000 -2.621 -10.965) 11.274 5.902 ( 0.000 9.930 -6.318) 11.770 6.207 ( 0.000 0.752 5.099) 5.154 6.485 ( 0.000 9.285 -9.504) 13.286 7.143 ( 0.000 4.396 4.966) 6.632 7.391 ( 0.000 -0.170 -7.772) 7.774 7.938 ( 0.000 7.048 9.930) 12.177 8.289 ( 0.000 12.491 -6.615) 14.135 8.332 ( 0.000 -2.540 8.576) 8.944 8.470 ( 0.000 1.640 -0.139) 1.646 9.016 ( 0.000 -4.944 7.661) 9.118 9.206 ( 0.000 13.984 8.618) 16.427 9.232 ( 0.000 -3.841 -0.184) 3.845 9.354 ( 0.000 4.817 -0.540) 4.847 9.401 ( 0.000 4.380 2.369) 4.980 9.680 ( 0.000 18.423 -7.619) 19.936 10.053 ( 0.000 2.558 2.181) 3.361 10.129 ( 0.000 7.394 2.233) 7.723 10.345 ( 0.000 -1.275 6.769) 6.888 10.399 ( 0.000 0.501 7.456) 7.473 10.934 ( 0.000 6.544 4.629) 8.016 10.999 ( 0.000 1.758 3.868) 4.249 11.030 ( 0.000 -6.800 1.298) 6.922 11.128 ( 0.000 -4.202 -2.918) 5.116 11.428 ( 0.000 -3.546 0.073) 3.547 11.483 ( 0.000 -7.136 -3.991) 8.177 11.622 ( 0.000 -1.570 12.694) 12.791 11.789 ( 0.000 5.310 1.724) 5.583 11.803 ( 0.000 -1.767 10.031) 10.186 12.218 ( 0.000 -6.365 -11.828) 13.432 12.395 ( 0.000 -0.866 -12.750) 12.779 12.505 ( 0.000 7.325 -25.741) 26.763 13.034 ( 0.000 0.449 0.802) 0.919 13.199 ( 0.000 -10.143 18.527) 21.122 13.226 ( 0.000 2.126 -8.299) 8.567 13.433 ( 0.000 -3.787 6.613) 7.621 13.736 ( 0.000 -7.908 -5.508) 9.637 13.750 ( 0.000 0.286 -7.148) 7.154 13.954 ( 0.000 2.228 2.871) 3.634 14.188 ( 0.000 0.841 -7.160) 7.209 14.681 ( 0.000 -4.783 3.748) 6.076 14.805 ( 0.000 -3.650 -1.315) 3.880 14.946 ( 0.000 5.774 -2.361) 6.238 15.061 ( 0.000 -2.731 -5.514) 6.153 15.546 ( 0.000 2.193 9.605) 9.852 15.686 ( 0.000 3.986 5.703) 6.958 15.896 ( 0.000 1.466 7.145) 7.293 16.089 ( 0.000 -2.752 -3.573) 4.510 16.236 ( 0.000 4.804 9.083) 10.275 16.516 ( 0.000 6.287 0.919) 6.353 16.747 ( 0.000 0.224 -15.085) 15.087 16.978 ( 0.000 5.856 -17.856) 18.792 17.532 ( 0.000 7.135 10.055) 12.330 17.930 ( 0.000 -0.161 1.448) 1.457 17.953 ( 0.000 12.255 -9.950) 15.786 17.973 ( 0.000 1.493 0.006) 1.493 18.313 ( 0.000 -2.595 10.213) 10.537 18.602 ( 0.000 -3.804 -3.700) 5.306 18.969 ( 0.000 0.448 13.521) 13.528 19.505 ( 0.000 -0.719 -11.125) 11.148 20.262 ( 0.000 -12.772 7.479) 14.801 20.585 ( 0.000 -9.422 -9.446) 13.342 21.285 ( 0.000 3.370 6.654) 7.459 21.445 ( 0.000 1.079 1.009) 1.477 21.819 ( 0.000 1.606 4.575) 4.849 22.001 ( 0.000 5.223 -4.294) 6.762 ======================= Grid point 181 (62/100) ======================= q-point: ( 0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 6.766 21.444 19.282) 29.621 2.388 ( 24.437 16.036 25.712) 38.929 3.050 ( -0.814 4.654 -29.570) 29.945 3.420 ( 15.435 7.881 -20.781) 27.059 3.822 ( 8.332 17.835 19.553) 27.746 4.057 ( -0.689 -5.010 -3.018) 5.890 4.126 ( 6.440 -4.392 1.048) 7.865 4.247 ( -2.782 10.481 0.981) 10.888 4.432 ( 7.674 -4.498 -4.728) 10.074 4.501 ( 0.671 -1.744 -1.947) 2.699 4.585 ( 2.280 0.669 -1.638) 2.885 5.190 ( -5.692 1.102 4.984) 7.645 5.275 ( 0.463 8.868 -8.614) 12.371 5.413 ( 2.568 -2.404 5.614) 6.625 5.450 ( -6.530 2.551 -2.600) 7.477 5.523 ( 3.835 -0.034 1.736) 4.209 5.611 ( 7.147 1.861 -8.263) 11.082 5.747 ( 3.811 -4.514 -0.875) 5.972 5.838 ( 4.432 0.205 -0.654) 4.484 5.974 ( 5.692 8.971 -8.046) 13.327 6.292 ( 8.760 -3.046 4.165) 10.167 6.554 ( 6.922 8.050 -9.859) 14.489 7.094 ( -4.227 2.826 4.630) 6.877 7.333 ( -5.522 -1.264 -7.677) 9.541 7.942 ( -0.206 6.715 10.688) 12.624 8.288 ( -4.124 -1.276 8.794) 9.797 8.342 ( 4.103 12.084 -7.793) 14.952 8.450 ( -2.184 2.325 -0.367) 3.211 8.984 ( -2.702 -3.471 7.330) 8.549 9.145 ( -5.744 -0.206 -0.188) 5.751 9.219 ( 0.950 13.845 8.514) 16.281 9.447 ( 6.805 7.417 -0.215) 10.068 9.563 ( 11.001 1.413 1.867) 11.247 9.706 ( 6.106 12.569 -6.476) 15.401 10.031 ( -2.605 1.297 2.786) 4.029 10.131 ( 0.268 7.162 0.496) 7.185 10.314 ( -2.963 -1.462 6.259) 7.078 10.401 ( 0.790 1.196 5.144) 5.340 10.912 ( -1.978 5.066 5.208) 7.530 10.985 ( -4.108 -6.835 1.415) 8.099 11.022 ( 1.773 1.245 2.043) 2.978 11.114 ( -1.708 -2.105 -1.132) 2.938 11.394 ( -3.526 -4.513 -0.935) 5.802 11.429 ( -4.866 -6.989 -3.621) 9.254 11.596 ( -2.365 2.173 11.574) 12.011 11.733 ( -1.712 2.228 7.660) 8.159 11.886 ( 4.166 -0.511 6.402) 7.655 12.194 ( -3.013 -6.520 -10.216) 12.488 12.309 ( -6.259 3.484 -17.962) 19.337 12.514 ( -1.691 1.055 -13.240) 13.389 12.838 ( -9.936 3.040 2.916) 10.793 13.118 ( -5.603 1.182 -7.248) 9.237 13.405 ( 0.501 -1.741 6.376) 6.628 13.480 ( 12.021 -5.827 3.445) 13.796 13.758 ( 3.672 1.755 -4.270) 5.899 13.830 ( 6.090 -4.994 -3.677) 8.692 14.078 ( 12.726 -2.469 0.875) 12.993 14.292 ( 8.208 -0.928 -6.109) 10.274 14.712 ( 3.472 -3.373 1.156) 4.977 14.777 ( -1.580 -4.311 -0.924) 4.683 15.004 ( 5.171 4.538 -1.796) 7.111 15.094 ( 3.275 -2.401 -4.237) 5.869 15.589 ( 4.397 2.382 8.338) 9.723 15.694 ( 0.891 4.254 5.893) 7.322 15.855 ( -3.980 2.135 7.370) 8.644 16.067 ( -1.766 -1.478 -3.439) 4.138 16.264 ( 2.374 3.940 7.419) 8.729 16.486 ( -3.093 5.951 1.144) 6.803 16.727 ( -2.097 0.627 -13.421) 13.598 16.926 ( -5.306 5.585 -16.567) 18.271 17.475 ( -5.848 7.605 10.309) 14.083 17.809 ( -9.595 7.424 -2.934) 12.481 17.929 ( -1.303 0.281 0.295) 1.365 18.016 ( 1.186 3.833 -4.600) 6.104 18.313 ( 0.531 -3.239 10.311) 10.821 18.593 ( -0.718 -4.964 -3.008) 5.849 19.045 ( 7.607 2.044 11.785) 14.175 19.566 ( 5.746 0.101 -12.116) 13.410 20.358 ( 9.227 -12.761 7.050) 17.253 20.645 ( 5.711 -10.333 -7.748) 14.121 21.245 ( -4.184 3.273 5.759) 7.835 21.399 ( -4.464 1.721 0.137) 4.787 21.799 ( -2.008 1.155 4.636) 5.183 21.962 ( -3.622 4.889 -3.257) 6.901 ======================= Grid point 182 (63/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 21.130 20.351 9.816) 30.935 2.803 ( 17.821 21.540 17.973) 33.235 3.118 ( 7.669 5.335 -25.180) 26.857 3.686 ( 11.143 10.485 -15.720) 21.937 3.951 ( -1.165 -2.414 -3.279) 4.236 4.049 ( 2.342 3.918 -4.886) 6.687 4.182 ( -1.983 8.813 3.151) 9.567 4.250 ( 1.825 3.673 -6.089) 7.341 4.547 ( -2.698 8.179 5.278) 10.101 4.571 ( 1.887 -0.793 0.922) 2.245 4.648 ( 17.106 7.842 8.435) 20.622 5.089 ( -5.383 0.019 -6.453) 8.404 5.317 ( 6.395 0.247 -3.023) 7.077 5.380 ( 2.269 0.394 1.362) 2.676 5.492 ( 5.112 -5.421 7.439) 10.529 5.600 ( 5.106 1.249 3.820) 6.498 5.808 ( 6.544 -2.777 2.207) 7.444 5.876 ( 12.104 -0.639 -7.607) 14.310 5.974 ( 12.354 -1.934 2.347) 12.723 6.087 ( 6.727 9.546 -7.624) 13.946 6.501 ( 12.186 -7.817 0.610) 14.491 6.729 ( 11.061 4.867 -10.505) 16.012 7.018 ( -3.256 -0.424 2.946) 4.411 7.213 ( -6.233 -4.116 -6.817) 10.112 7.904 ( -4.269 5.116 12.149) 13.856 8.176 ( -7.548 -2.004 7.859) 11.079 8.374 ( -5.830 5.115 -0.319) 7.762 8.407 ( 1.239 12.022 -6.598) 13.769 8.924 ( -3.784 -2.261 5.709) 7.213 9.040 ( -5.271 4.126 0.346) 6.703 9.231 ( 0.204 13.020 5.772) 14.243 9.480 ( -2.672 15.439 -2.877) 15.931 9.717 ( 5.513 0.549 6.643) 8.650 9.957 ( 13.339 1.643 -2.329) 13.640 9.977 ( -1.497 0.218 3.431) 3.750 10.124 ( -0.725 3.759 -2.984) 4.854 10.264 ( -0.906 -1.899 4.719) 5.167 10.461 ( 5.940 2.399 -2.088) 6.738 10.860 ( -4.338 -1.367 6.957) 8.312 10.911 ( -2.031 -2.996 2.611) 4.463 11.042 ( -1.541 2.680 -0.134) 3.095 11.077 ( 0.573 -0.256 0.248) 0.675 11.308 ( -4.850 -4.644 -2.056) 7.023 11.345 ( -2.976 -7.849 -2.775) 8.841 11.561 ( -0.905 7.170 10.127) 12.441 11.718 ( -0.126 0.666 9.147) 9.172 11.938 ( 0.923 -0.600 5.868) 5.970 12.085 ( -7.758 -6.025 -5.336) 11.179 12.203 ( -5.888 4.394 -18.483) 19.889 12.458 ( -1.644 -0.946 -1.049) 2.168 12.682 ( -8.892 4.371 -3.520) 10.515 13.013 ( -4.735 2.311 -11.659) 12.794 13.463 ( 5.958 4.013 5.891) 9.290 13.678 ( 9.216 -2.000 -0.593) 9.449 13.845 ( 5.280 3.222 -1.304) 6.321 13.964 ( 7.452 -2.712 -4.618) 9.177 14.348 ( 12.249 -6.450 -1.758) 13.954 14.420 ( 5.949 -1.323 -1.696) 6.326 14.747 ( 0.704 -1.870 -0.144) 2.004 14.832 ( 5.965 -6.664 -4.952) 10.223 15.127 ( 7.657 2.573 -0.460) 8.091 15.178 ( 5.499 -1.333 -1.152) 5.774 15.681 ( 3.207 3.871 5.627) 7.546 15.736 ( 4.495 3.204 5.111) 7.523 15.766 ( -4.256 4.549 7.320) 9.612 16.037 ( -1.060 0.873 -4.976) 5.162 16.309 ( 2.104 3.837 4.702) 6.424 16.408 ( -4.661 4.485 2.228) 6.842 16.673 ( -3.394 1.571 -9.429) 10.144 16.790 ( -8.554 5.181 -12.949) 16.361 17.331 ( -8.484 7.569 10.289) 15.334 17.608 ( -11.113 5.579 -2.176) 12.624 17.914 ( 0.054 -2.039 1.321) 2.430 18.026 ( 0.437 1.301 -4.048) 4.274 18.336 ( 1.378 -4.024 8.882) 9.847 18.569 ( -2.049 -6.035 -1.415) 6.528 19.246 ( 13.330 4.007 8.408) 16.261 19.699 ( 8.003 1.444 -12.424) 14.849 20.554 ( 9.735 -11.211 6.624) 16.258 20.757 ( 4.317 -10.235 -3.433) 11.626 21.142 ( -5.346 1.553 3.532) 6.593 21.297 ( -5.694 2.862 -2.946) 7.021 21.751 ( -2.755 0.165 5.199) 5.886 21.889 ( -3.659 3.354 -1.736) 5.259 ======================= Grid point 183 (64/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 27.077 17.262 2.752) 32.229 3.082 ( 13.079 21.817 10.415) 27.487 3.307 ( 11.306 8.211 -16.314) 21.480 3.782 ( -4.743 8.401 -1.317) 9.737 3.884 ( 0.496 7.349 -12.773) 14.745 4.015 ( -8.737 10.322 -0.840) 13.549 4.081 ( -7.796 8.985 -11.073) 16.251 4.254 ( -0.897 8.274 -10.173) 13.144 4.387 ( -7.991 10.147 -1.063) 12.959 4.555 ( -6.682 4.420 -7.621) 11.057 5.049 ( 17.154 -0.507 8.018) 18.942 5.114 ( 8.879 -4.653 0.892) 10.064 5.411 ( 2.122 -0.326 2.925) 3.628 5.459 ( 3.728 -0.811 1.407) 4.067 5.659 ( 11.980 -7.102 6.698) 15.454 5.769 ( 14.307 2.848 10.884) 18.200 5.925 ( 7.619 -8.814 1.733) 11.779 6.066 ( 6.613 10.263 2.777) 12.521 6.251 ( 13.376 5.297 -4.807) 15.168 6.302 ( 17.017 -9.686 -3.145) 19.831 6.720 ( 10.221 -9.435 -4.379) 14.583 6.931 ( 4.870 -1.759 -10.402) 11.620 6.985 ( 2.894 -0.807 4.154) 5.127 7.137 ( 0.162 -7.306 -4.950) 8.826 7.778 ( -8.602 2.806 12.024) 15.048 8.003 ( -10.984 -2.333 6.699) 13.076 8.197 ( -11.936 6.308 2.840) 13.795 8.385 ( -3.902 10.912 -6.117) 13.104 8.843 ( -4.146 0.944 1.886) 4.652 8.952 ( -4.161 7.753 0.259) 8.803 9.233 ( 0.276 13.197 1.894) 13.335 9.403 ( -4.864 15.451 -3.090) 16.491 9.759 ( 0.791 -2.543 10.087) 10.433 9.935 ( -2.613 -0.563 5.848) 6.431 10.052 ( -1.503 0.652 -0.726) 1.792 10.172 ( 3.863 1.904 -5.825) 7.244 10.307 ( 3.477 0.412 3.259) 4.783 10.550 ( -0.130 2.131 -5.178) 5.601 10.786 ( -1.866 -2.623 7.729) 8.373 10.898 ( -0.584 0.158 2.245) 2.326 11.030 ( 3.070 0.095 1.281) 3.328 11.164 ( 7.205 -1.658 0.458) 7.408 11.250 ( 0.086 -3.174 -3.194) 4.504 11.328 ( 1.429 -6.993 -1.746) 7.348 11.558 ( 0.450 8.486 6.936) 10.969 11.726 ( 0.691 -0.105 6.933) 6.968 11.896 ( -5.612 -4.508 -1.691) 7.394 11.962 ( -4.093 -0.591 5.807) 7.129 12.079 ( -6.005 3.497 -11.519) 13.452 12.450 ( -5.750 6.281 -9.441) 12.714 12.511 ( -3.140 -1.392 3.467) 4.881 12.926 ( -4.673 0.509 -11.526) 12.448 13.606 ( 8.079 9.113 3.738) 12.739 13.827 ( 6.293 4.732 -3.578) 8.648 13.953 ( 5.667 1.056 0.700) 5.807 14.085 ( 4.718 -2.137 -4.710) 7.001 14.454 ( 2.668 -1.397 1.735) 3.476 14.588 ( 9.091 -3.506 -4.681) 10.810 14.778 ( 1.950 -3.856 -0.547) 4.355 14.906 ( 1.238 -5.610 -5.827) 8.183 15.271 ( 6.505 1.240 1.162) 6.723 15.296 ( 6.618 -1.510 1.013) 6.863 15.682 ( -2.959 3.982 6.293) 8.013 15.710 ( 0.512 6.662 6.043) 9.009 15.858 ( 5.403 3.757 -1.081) 6.669 16.033 ( 0.298 5.702 -7.883) 9.733 16.305 ( -2.428 2.954 2.102) 4.364 16.372 ( 1.773 3.354 3.445) 5.124 16.612 ( -2.747 3.291 -4.895) 6.507 16.621 ( -8.702 4.537 -8.572) 13.030 17.185 ( -6.364 5.025 9.509) 12.497 17.404 ( -10.012 2.125 -0.698) 10.259 17.933 ( 1.829 -3.826 1.533) 4.509 18.043 ( 1.273 -0.477 -3.503) 3.758 18.347 ( -0.396 -5.427 7.018) 8.880 18.517 ( -3.103 -6.156 0.192) 6.897 19.529 ( 15.903 4.670 5.316) 17.407 19.858 ( 8.236 2.079 -9.990) 13.113 20.643 ( -3.328 -3.068 5.136) 6.846 20.751 ( -2.892 -6.639 -0.079) 7.242 21.120 ( 3.008 -5.001 1.272) 5.973 21.216 ( -2.009 0.780 -4.099) 4.631 21.709 ( -1.399 -0.960 5.001) 5.281 21.826 ( -3.050 1.323 -0.919) 3.450 ======================= Grid point 184 (65/100) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 26.697 14.314 -1.311) 30.320 3.317 ( 11.148 18.509 9.790) 23.722 3.490 ( 3.470 10.034 -6.874) 12.648 3.603 ( -14.047 9.456 -3.678) 17.329 3.747 ( -8.334 16.529 -0.089) 18.511 3.877 ( -11.499 10.151 -9.347) 17.962 3.953 ( 0.897 10.550 -15.693) 18.931 4.230 ( -1.076 10.298 -11.312) 15.336 4.290 ( -2.476 11.675 -5.574) 13.172 4.457 ( -2.378 8.820 -10.250) 13.729 5.200 ( 3.295 -8.709 1.189) 9.387 5.264 ( 3.112 -3.489 -1.626) 4.950 5.440 ( 0.928 -1.601 3.876) 4.295 5.497 ( 0.800 -3.535 3.463) 5.013 5.828 ( 4.832 -3.393 7.031) 9.181 5.974 ( 3.506 -10.569 3.238) 11.597 6.102 ( 3.263 10.370 3.913) 11.554 6.277 ( 19.148 3.970 11.169) 22.520 6.480 ( 10.167 0.803 -7.629) 12.736 6.572 ( 9.802 -13.329 1.462) 16.609 6.806 ( -10.153 -10.226 1.227) 14.462 6.881 ( 0.746 -4.933 -6.182) 7.944 7.073 ( 4.193 -2.151 6.576) 8.090 7.294 ( 11.861 -8.145 -4.097) 14.960 7.616 ( -6.776 2.719 9.017) 11.602 7.745 ( -14.302 -2.513 5.077) 15.383 8.024 ( -3.945 7.855 1.678) 8.949 8.282 ( -5.236 7.603 -7.169) 11.688 8.793 ( -1.004 6.973 0.575) 7.068 8.884 ( -2.488 7.746 -1.652) 8.302 9.250 ( 1.627 13.321 -0.635) 13.435 9.315 ( -3.829 14.386 -2.333) 15.069 9.782 ( 1.242 -4.334 11.586) 12.432 9.901 ( -0.742 0.117 5.973) 6.020 10.015 ( -1.486 0.094 -1.775) 2.317 10.221 ( 1.331 -0.830 -6.420) 6.609 10.336 ( 0.301 0.703 3.946) 4.019 10.480 ( -4.073 5.524 -0.528) 6.883 10.797 ( 2.236 1.658 7.123) 7.648 10.859 ( -2.849 1.455 2.967) 4.363 11.108 ( 2.596 -4.944 -3.169) 6.421 11.217 ( 0.270 -6.078 0.376) 6.096 11.336 ( 3.714 -1.516 0.881) 4.107 11.442 ( 8.751 -5.694 -3.663) 11.064 11.576 ( 1.292 9.437 4.443) 10.511 11.703 ( -2.685 -3.475 2.424) 5.016 11.801 ( -4.948 -3.816 2.652) 6.788 11.904 ( -1.132 1.885 0.583) 2.275 12.042 ( 3.512 4.483 -2.633) 6.274 12.244 ( -11.190 6.294 -5.551) 13.987 12.542 ( 1.747 -1.162 -2.114) 2.978 12.851 ( -2.522 -0.090 -9.399) 9.732 13.725 ( 3.595 10.492 1.364) 11.174 13.914 ( 2.736 13.529 -4.575) 14.542 14.030 ( 1.977 -2.664 1.371) 3.590 14.135 ( 0.955 -3.612 -2.442) 4.464 14.499 ( 1.747 -1.774 1.834) 3.092 14.745 ( 7.224 0.436 -6.169) 9.510 14.799 ( 0.339 -5.651 -1.313) 5.812 14.879 ( -3.790 -4.359 -4.433) 7.281 15.354 ( 2.257 0.138 3.877) 4.489 15.394 ( 2.853 -1.843 1.873) 3.878 15.653 ( -0.319 4.593 4.744) 6.611 15.711 ( -0.197 7.239 5.098) 8.856 15.930 ( 2.500 5.546 -4.738) 7.711 16.017 ( -1.971 7.631 -9.300) 12.190 16.305 ( 2.016 0.802 0.095) 2.172 16.413 ( 2.036 5.361 0.675) 5.774 16.477 ( -5.898 4.811 -3.943) 8.572 16.580 ( -0.664 4.982 -1.952) 5.392 17.108 ( -1.592 0.877 8.237) 8.436 17.251 ( -5.215 -0.137 2.016) 5.593 17.970 ( 1.470 -4.577 1.002) 4.911 18.065 ( 0.746 -1.210 -3.099) 3.409 18.329 ( -0.959 -7.489 6.187) 9.762 18.469 ( -1.540 -5.518 0.881) 5.796 19.807 ( 11.597 4.184 2.512) 12.582 19.970 ( 2.014 2.592 -4.385) 5.478 20.500 ( -6.772 1.266 2.484) 7.323 20.695 ( -2.735 -2.070 -4.250) 5.462 21.185 ( 2.483 -5.291 1.948) 6.161 21.214 ( 0.615 -5.189 -0.024) 5.225 21.700 ( 0.213 -1.503 3.004) 3.365 21.777 ( -1.865 -0.164 -0.047) 1.872 ======================= Grid point 189 (66/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 18.788 23.248) 29.891 2.383 ( 0.000 26.197 8.951) 27.684 3.254 ( 0.000 0.253 -15.236) 15.238 3.259 ( 0.000 6.519 -29.140) 29.860 3.819 ( 0.000 -10.893 -5.087) 12.022 3.822 ( 0.000 -9.072 2.741) 9.477 3.961 ( 0.000 -8.593 -10.831) 13.826 4.177 ( 0.000 -10.589 -10.383) 14.830 4.411 ( 0.000 -3.009 -4.237) 5.197 4.479 ( 0.000 -3.852 -6.829) 7.841 4.845 ( 0.000 36.971 22.379) 43.217 5.263 ( 0.000 -1.213 6.893) 6.999 5.373 ( 0.000 -1.516 2.294) 2.750 5.395 ( 0.000 2.890 6.364) 6.990 5.463 ( 0.000 2.750 5.916) 6.524 5.598 ( 0.000 1.513 -8.904) 9.031 5.628 ( 0.000 -1.420 -1.349) 1.959 5.690 ( 0.000 -2.660 -4.797) 5.485 5.865 ( 0.000 16.753 -1.103) 16.789 5.976 ( 0.000 -0.211 1.784) 1.797 6.339 ( 0.000 11.622 2.827) 11.961 6.697 ( 0.000 11.222 -12.585) 16.862 7.143 ( 0.000 -7.242 4.853) 8.717 7.302 ( 0.000 -7.116 -5.490) 8.987 8.075 ( 0.000 6.528 11.531) 13.250 8.298 ( 0.000 -0.469 9.023) 9.035 8.513 ( 0.000 2.463 -2.825) 3.748 8.523 ( 0.000 10.816 -8.814) 13.952 8.940 ( 0.000 -2.995 6.386) 7.054 9.187 ( 0.000 -0.908 -3.976) 4.078 9.415 ( 0.000 6.407 0.863) 6.464 9.435 ( 0.000 3.416 -0.660) 3.479 9.551 ( 0.000 11.508 11.876) 16.537 10.049 ( 0.000 18.291 -10.149) 20.918 10.088 ( 0.000 1.585 0.763) 1.759 10.211 ( 0.000 -0.364 -2.678) 2.703 10.331 ( 0.000 0.800 5.014) 5.077 10.425 ( 0.000 2.013 7.061) 7.343 10.882 ( 0.000 -7.832 2.706) 8.286 10.929 ( 0.000 -5.323 7.364) 9.087 11.007 ( 0.000 -1.457 -2.836) 3.188 11.146 ( 0.000 3.978 -1.707) 4.329 11.321 ( 0.000 -7.467 -0.200) 7.470 11.372 ( 0.000 -2.192 -0.996) 2.408 11.611 ( 0.000 0.361 11.917) 11.923 11.774 ( 0.000 -0.972 12.693) 12.730 11.937 ( 0.000 8.343 3.940) 9.227 12.085 ( 0.000 -6.917 -9.259) 11.558 12.380 ( 0.000 -0.665 -10.805) 10.826 12.635 ( 0.000 5.296 -22.466) 23.082 13.048 ( 0.000 0.843 0.307) 0.897 13.069 ( 0.000 -2.648 12.522) 12.799 13.250 ( 0.000 0.408 -10.977) 10.984 13.368 ( 0.000 -2.842 8.382) 8.850 13.535 ( 0.000 -11.649 -5.971) 13.090 13.753 ( 0.000 0.199 -9.058) 9.060 14.000 ( 0.000 1.917 2.304) 2.997 14.195 ( 0.000 -0.618 -5.744) 5.777 14.603 ( 0.000 -3.082 5.764) 6.536 14.724 ( 0.000 -4.390 0.134) 4.392 15.038 ( 0.000 3.277 -2.008) 3.843 15.078 ( 0.000 4.617 -2.934) 5.471 15.588 ( 0.000 2.346 7.924) 8.264 15.759 ( 0.000 3.070 3.099) 4.362 15.920 ( 0.000 0.812 7.456) 7.500 15.996 ( 0.000 -5.821 1.139) 5.932 16.325 ( 0.000 4.123 6.643) 7.819 16.634 ( 0.000 5.224 -0.043) 5.224 16.750 ( 0.000 -0.007 -13.112) 13.112 17.081 ( 0.000 4.586 -18.447) 19.008 17.686 ( 0.000 8.139 11.632) 14.197 17.929 ( 0.000 0.032 2.856) 2.856 18.004 ( 0.000 1.597 0.503) 1.675 18.134 ( 0.000 5.688 -9.631) 11.186 18.268 ( 0.000 -1.812 7.626) 7.838 18.522 ( 0.000 -4.280 -3.727) 5.675 19.048 ( 0.000 8.551 13.146) 15.682 19.523 ( 0.000 2.166 -8.892) 9.152 19.996 ( 0.000 -14.845 5.937) 15.989 20.399 ( 0.000 -9.379 -14.202) 17.019 21.353 ( 0.000 3.438 6.826) 7.643 21.456 ( 0.000 0.084 2.899) 2.901 21.847 ( 0.000 1.213 5.983) 6.105 22.079 ( 0.000 2.876 -4.531) 5.367 ======================= Grid point 190 (67/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 7.778 27.154 8.138) 29.394 2.694 ( 23.881 16.081 19.411) 34.723 3.169 ( 0.200 6.881 -24.859) 25.795 3.534 ( 18.390 2.819 -17.470) 25.521 3.810 ( 1.017 -9.468 -2.708) 9.900 3.900 ( 5.558 -11.740 -0.872) 13.019 4.019 ( 6.663 -6.268 -8.258) 12.324 4.259 ( 6.102 -9.252 -10.738) 15.431 4.447 ( 2.570 -0.718 -2.901) 3.941 4.494 ( 4.422 -0.744 -5.235) 6.893 4.895 ( 4.418 30.554 18.273) 35.874 5.227 ( -5.716 2.180 6.578) 8.983 5.362 ( -0.700 1.947 5.247) 5.640 5.409 ( 3.590 1.480 1.683) 4.232 5.477 ( -10.077 -0.002 -1.935) 10.261 5.515 ( 5.719 -0.677 3.453) 6.714 5.649 ( 3.285 0.522 -3.720) 4.990 5.731 ( 2.309 -0.173 -3.350) 4.072 5.923 ( 5.246 12.845 2.139) 14.039 6.052 ( 7.494 -2.400 -1.733) 8.058 6.347 ( 0.860 9.909 3.583) 10.572 6.742 ( 4.666 9.880 -12.943) 16.938 7.089 ( -4.867 -6.015 3.754) 8.600 7.243 ( -5.639 -6.457 -6.012) 10.471 8.067 ( -1.564 5.587 12.293) 13.593 8.251 ( -4.715 -0.889 8.317) 9.602 8.494 ( -1.741 2.237 -2.460) 3.753 8.575 ( 3.794 9.970 -8.634) 13.724 8.922 ( -1.648 -2.593 6.583) 7.265 9.164 ( -1.200 1.986 -3.755) 4.414 9.473 ( 2.374 10.661 7.200) 13.082 9.545 ( 10.005 3.319 0.805) 10.572 9.621 ( 9.321 5.707 5.772) 12.360 10.000 ( -3.730 14.380 -8.541) 17.136 10.064 ( -2.644 2.497 0.457) 3.665 10.204 ( -1.800 0.221 -3.205) 3.683 10.290 ( -3.749 -0.275 4.871) 6.153 10.436 ( 1.564 2.066 2.605) 3.675 10.844 ( -3.388 -6.991 4.050) 8.761 10.892 ( -3.372 -5.633 8.030) 10.372 11.023 ( 1.492 -1.080 -3.446) 3.907 11.154 ( 0.703 3.943 -1.819) 4.399 11.274 ( -4.648 -6.913 -0.401) 8.340 11.326 ( -4.048 -2.178 -0.873) 4.679 11.636 ( 1.854 1.240 11.075) 11.297 11.775 ( -0.140 1.363 11.129) 11.213 11.929 ( -0.183 4.872 5.280) 7.186 12.056 ( -3.657 -7.071 -7.352) 10.836 12.357 ( -1.807 1.482 -11.557) 11.791 12.548 ( -7.573 1.897 -13.635) 15.712 12.908 ( -7.409 4.126 -0.720) 8.511 13.097 ( -2.116 -2.635 -4.841) 5.904 13.359 ( 3.848 -3.751 4.473) 6.992 13.424 ( 12.978 -0.093 -2.158) 13.157 13.705 ( 12.698 -5.977 -3.157) 14.386 13.777 ( 3.666 -0.190 -4.229) 5.600 14.071 ( 6.867 0.846 0.039) 6.919 14.267 ( 6.491 -1.992 -6.208) 9.200 14.631 ( 2.788 -3.910 4.531) 6.602 14.713 ( -0.204 -2.714 0.488) 2.765 15.083 ( 4.156 2.253 -1.214) 4.881 15.105 ( 2.828 4.570 -2.462) 5.912 15.630 ( 4.321 2.074 6.585) 8.145 15.770 ( 1.143 3.102 3.259) 4.642 15.899 ( -2.023 1.985 7.448) 7.969 15.996 ( 0.194 -4.811 0.142) 4.817 16.337 ( 1.242 3.384 6.473) 7.409 16.600 ( -3.443 5.103 -0.225) 6.160 16.737 ( -1.350 0.479 -12.032) 12.117 17.029 ( -5.387 4.650 -17.062) 18.487 17.632 ( -5.552 8.098 11.351) 15.008 17.872 ( -6.260 0.362 3.596) 7.228 17.963 ( -4.342 2.666 -1.666) 5.361 18.105 ( -2.873 4.082 -8.174) 9.578 18.251 ( -0.565 -2.965 8.169) 8.708 18.487 ( -2.448 -5.649 -2.460) 6.630 19.148 ( 9.475 9.133 10.922) 17.102 19.596 ( 6.916 2.635 -9.131) 11.754 20.096 ( 9.738 -14.280 5.511) 18.142 20.442 ( 4.420 -10.216 -12.100) 16.441 21.314 ( -4.247 3.536 6.293) 8.375 21.420 ( -3.505 0.439 2.056) 4.087 21.818 ( -2.899 0.771 5.994) 6.702 22.037 ( -4.038 2.901 -4.075) 6.429 ======================= Grid point 191 (68/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 17.610 25.301 2.914) 30.963 3.148 ( 18.941 14.617 8.092) 25.257 3.268 ( 11.741 9.562 -14.595) 21.031 3.836 ( 9.796 3.311 -7.067) 12.524 3.854 ( 4.152 -5.869 -6.110) 9.435 4.059 ( 10.611 -3.409 -6.724) 13.016 4.203 ( 12.670 -7.536 -4.341) 15.368 4.294 ( -1.276 0.494 -6.268) 6.416 4.534 ( 5.016 0.948 -2.145) 5.537 4.626 ( 4.633 0.976 -3.290) 5.766 4.945 ( 0.505 15.719 6.303) 16.943 5.107 ( -5.437 1.511 -1.978) 5.979 5.350 ( 0.658 3.984 3.489) 5.337 5.386 ( 2.717 -0.573 3.721) 4.643 5.492 ( 4.391 5.146 2.314) 7.149 5.641 ( 7.368 2.450 6.776) 10.306 5.690 ( 1.493 -3.300 -1.741) 4.019 5.845 ( 10.397 -4.655 1.761) 11.527 6.061 ( 9.606 10.195 4.497) 14.712 6.237 ( 11.658 -3.726 -6.450) 13.835 6.372 ( 1.760 4.641 4.427) 6.651 6.861 ( 7.254 6.106 -12.290) 15.523 6.993 ( -4.613 -4.596 1.365) 6.653 7.120 ( -6.409 -3.930 -7.141) 10.369 7.990 ( -6.751 3.417 12.617) 14.712 8.129 ( -7.962 -1.805 7.233) 10.907 8.434 ( -5.141 2.081 0.371) 5.559 8.611 ( -1.002 7.161 -8.136) 10.885 8.889 ( -1.452 -0.824 6.884) 7.084 9.156 ( -0.094 7.145 -3.635) 8.017 9.484 ( -0.129 12.320 8.867) 15.180 9.722 ( 5.505 4.375 4.083) 8.132 9.775 ( 0.185 9.473 2.422) 9.779 9.980 ( -0.929 0.218 -0.078) 0.957 10.022 ( 4.052 4.461 -2.751) 6.625 10.154 ( -2.001 -0.535 -5.082) 5.488 10.227 ( -1.075 -1.823 4.139) 4.649 10.490 ( 4.232 -0.004 -4.936) 6.502 10.772 ( -3.681 -4.525 6.929) 9.057 10.840 ( -1.000 -5.573 7.704) 9.561 11.055 ( 1.335 -0.517 -4.651) 4.867 11.148 ( -3.049 4.804 0.706) 5.734 11.194 ( -0.470 -5.445 -2.493) 6.007 11.244 ( -4.125 -2.141 -2.038) 5.075 11.662 ( 0.933 0.986 10.114) 10.205 11.756 ( -1.814 4.305 5.941) 7.558 11.932 ( -5.251 -2.262 -0.922) 5.791 11.956 ( -0.741 -3.618 7.541) 8.397 12.291 ( -6.940 3.880 -17.768) 19.466 12.453 ( 0.116 0.300 0.243) 0.403 12.756 ( -9.158 3.151 -5.632) 11.204 13.021 ( -4.971 -1.258 -11.439) 12.535 13.518 ( 11.467 0.977 4.945) 12.526 13.665 ( 11.639 1.728 0.944) 11.804 13.857 ( 7.016 -1.953 -1.481) 7.432 13.962 ( 10.851 1.767 -4.841) 12.013 14.236 ( 9.444 -4.538 -2.254) 10.717 14.394 ( 6.604 -1.987 -4.042) 7.993 14.677 ( 1.820 -4.167 2.473) 5.176 14.764 ( 5.239 -1.045 -1.791) 5.635 15.168 ( 4.807 0.730 1.565) 5.108 15.189 ( 5.665 3.295 -1.591) 6.744 15.731 ( 4.854 1.821 3.286) 6.138 15.803 ( 2.426 3.040 3.809) 5.444 15.862 ( -0.913 4.481 6.455) 7.910 16.017 ( 2.528 -2.122 -2.041) 3.881 16.374 ( 2.759 2.778 5.428) 6.693 16.509 ( -6.033 4.956 -0.095) 7.808 16.701 ( -2.252 1.565 -9.298) 9.694 16.891 ( -8.721 4.611 -13.596) 16.798 17.484 ( -9.732 7.816 9.825) 15.885 17.683 ( -12.852 1.904 1.635) 13.095 17.886 ( -2.813 -0.564 0.570) 2.925 18.050 ( -2.157 1.029 -6.000) 6.458 18.257 ( 0.407 -3.761 6.984) 7.943 18.441 ( -2.749 -6.921 -0.887) 7.499 19.375 ( 13.979 9.376 7.473) 18.417 19.753 ( 9.075 3.807 -9.242) 13.501 20.315 ( 11.916 -12.922 5.157) 18.318 20.548 ( 5.894 -11.090 -6.965) 14.361 21.195 ( -7.646 3.344 5.522) 10.007 21.339 ( -4.771 1.491 -1.247) 5.151 21.749 ( -3.991 -0.289 6.170) 7.354 21.945 ( -5.299 2.281 -3.213) 6.603 ======================= Grid point 192 (69/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 22.494 20.418 0.502) 30.383 3.408 ( 12.999 12.844 -9.398) 20.549 3.526 ( 10.503 11.682 3.202) 16.033 3.899 ( 0.861 2.200 2.002) 3.097 3.995 ( 6.994 5.568 -5.885) 10.703 4.168 ( -0.133 5.753 -4.773) 7.476 4.248 ( -3.446 6.817 -5.400) 9.355 4.417 ( 1.663 5.906 -8.868) 10.783 4.555 ( -1.662 -2.477 -2.104) 3.650 4.585 ( -2.813 8.167 -3.440) 9.298 4.939 ( 0.029 -5.622 0.636) 5.658 5.134 ( 7.457 1.270 -6.800) 10.172 5.415 ( 1.611 0.772 2.219) 2.848 5.437 ( 1.707 -0.582 1.601) 2.412 5.603 ( 8.019 1.848 1.637) 8.390 5.725 ( 3.747 -6.656 -0.914) 7.693 5.874 ( 16.395 3.721 11.499) 20.368 6.084 ( 13.702 -9.917 2.694) 17.128 6.276 ( 12.035 10.530 7.185) 17.531 6.420 ( 4.257 0.290 2.502) 4.947 6.465 ( 10.870 -4.699 -8.381) 14.508 6.916 ( -2.637 -2.507 -3.116) 4.790 6.974 ( 1.854 -4.020 -0.124) 4.429 7.064 ( 2.840 2.489 -10.676) 11.324 7.822 ( -10.152 1.706 10.516) 14.716 7.952 ( -10.813 -2.353 6.432) 12.800 8.289 ( -9.555 3.331 2.975) 10.547 8.527 ( -7.543 3.798 -7.177) 11.083 8.883 ( 1.126 2.580 5.783) 6.432 9.134 ( -2.889 10.402 -2.961) 11.195 9.485 ( 0.298 12.279 4.904) 13.225 9.675 ( -7.073 10.360 -2.572) 12.805 9.741 ( -1.193 1.818 9.357) 9.606 9.931 ( -2.212 0.487 6.633) 7.009 10.052 ( -2.684 -0.838 -0.471) 2.851 10.157 ( 0.351 -3.426 -6.825) 7.645 10.306 ( 5.440 -0.449 5.649) 7.855 10.568 ( 1.715 -0.899 -1.308) 2.337 10.750 ( 2.559 -0.683 4.576) 5.287 10.878 ( 4.981 -2.911 1.776) 6.037 11.018 ( -3.791 -0.781 -1.176) 4.045 11.143 ( 0.004 -0.736 -2.656) 2.756 11.204 ( 2.743 -1.103 -2.920) 4.155 11.237 ( 4.286 -1.718 -1.865) 4.979 11.671 ( -0.931 0.491 8.500) 8.565 11.727 ( -0.436 -0.563 0.921) 1.164 11.798 ( -5.443 -1.612 -2.436) 6.177 11.974 ( 0.047 1.622 11.991) 12.100 12.142 ( -6.904 2.552 -11.214) 13.414 12.493 ( -0.427 0.246 3.066) 3.106 12.573 ( -7.228 5.058 -10.382) 13.624 12.922 ( -5.222 -0.868 -12.536) 13.608 13.744 ( 11.596 2.968 5.263) 13.076 13.848 ( 7.384 2.455 2.575) 8.196 13.992 ( 6.202 -0.375 -0.602) 6.242 14.121 ( 5.939 6.192 -6.176) 10.572 14.379 ( 5.162 -6.508 -0.278) 8.312 14.533 ( 8.232 -2.327 -4.753) 9.786 14.716 ( 2.032 -2.021 0.306) 2.882 14.849 ( 2.839 -0.444 -5.106) 5.859 15.265 ( 4.946 -1.400 3.580) 6.265 15.300 ( 5.607 1.540 0.486) 5.835 15.760 ( -0.705 3.987 4.620) 6.143 15.836 ( 0.843 5.487 5.967) 8.149 15.914 ( 5.201 2.041 -2.558) 6.145 16.112 ( 7.093 2.385 -5.552) 9.318 16.378 ( -6.899 4.369 -0.124) 8.167 16.449 ( 4.659 4.083 4.038) 7.395 16.661 ( -2.228 2.965 -5.652) 6.760 16.722 ( -7.736 4.329 -8.557) 12.321 17.289 ( -10.113 5.464 7.637) 13.800 17.428 ( -13.178 0.266 1.222) 13.237 17.863 ( 0.285 -3.027 2.561) 3.976 18.032 ( 0.033 -0.740 -4.908) 4.963 18.240 ( -2.465 -5.051 5.803) 8.079 18.384 ( -2.869 -7.278 -0.004) 7.824 19.659 ( 15.517 8.677 4.591) 18.362 19.925 ( 8.657 4.764 -7.581) 12.454 20.497 ( 6.216 -10.568 4.685) 13.125 20.611 ( -0.701 -8.361 -1.061) 8.457 21.078 ( -2.928 0.703 3.763) 4.819 21.250 ( -4.368 1.935 -4.125) 6.312 21.685 ( -2.302 -1.363 5.299) 5.936 21.846 ( -5.003 0.706 -2.442) 5.612 ======================= Grid point 193 (70/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 20.956 14.435 -0.340) 25.448 3.619 ( 4.711 11.002 7.076) 13.903 3.690 ( 10.411 11.008 -8.300) 17.276 3.825 ( -10.146 12.519 1.371) 16.172 4.057 ( -6.821 12.895 -4.796) 15.356 4.093 ( -3.761 11.632 4.739) 13.111 4.143 ( -0.946 9.759 -12.318) 15.744 4.348 ( -2.150 4.399 -4.071) 6.367 4.551 ( -0.774 8.588 -6.472) 10.781 4.560 ( -0.321 2.991 -11.903) 12.277 4.996 ( 3.206 -12.001 3.121) 12.808 5.232 ( 2.259 -0.611 -6.360) 6.776 5.425 ( 0.228 1.016 2.121) 2.363 5.440 ( -0.602 -0.476 1.060) 1.309 5.729 ( 3.902 -4.699 2.582) 6.631 5.803 ( 2.869 -6.805 -3.702) 8.261 6.151 ( 9.804 -9.947 3.924) 14.507 6.278 ( 3.167 -5.690 3.372) 7.333 6.494 ( 11.339 8.163 3.743) 14.464 6.552 ( 7.160 -9.932 1.804) 12.376 6.594 ( 3.756 7.865 -8.683) 12.303 6.843 ( -6.722 -0.968 3.736) 7.751 7.020 ( 2.474 -2.587 2.566) 4.404 7.169 ( 7.221 -4.994 -1.274) 8.872 7.657 ( -5.507 1.534 7.079) 9.099 7.722 ( -11.911 -0.109 6.221) 13.438 8.157 ( -2.295 5.702 0.245) 6.152 8.363 ( -7.616 1.467 -8.232) 11.310 8.937 ( 4.550 6.193 3.559) 8.468 9.044 ( -5.927 8.829 -0.265) 10.638 9.495 ( 0.699 11.671 0.313) 11.696 9.568 ( -3.442 10.707 -1.238) 11.314 9.731 ( 0.050 -0.362 13.378) 13.383 9.911 ( -0.112 0.299 5.683) 5.692 10.002 ( -1.768 -1.519 -1.293) 2.665 10.147 ( -0.705 -5.996 -4.454) 7.503 10.348 ( 0.223 1.167 8.190) 8.276 10.553 ( -1.424 0.688 4.421) 4.695 10.838 ( 4.902 2.722 0.089) 5.608 10.916 ( -2.687 3.062 1.307) 4.278 11.015 ( 3.675 -3.526 -4.812) 7.007 11.102 ( -2.838 -4.489 -1.686) 5.572 11.301 ( 4.028 -2.155 -0.004) 4.568 11.353 ( 5.744 -3.751 -2.393) 7.266 11.621 ( -1.960 -3.790 2.894) 5.156 11.709 ( -1.920 -2.027 -2.059) 3.469 11.775 ( 0.603 5.957 1.009) 6.072 11.946 ( -2.010 2.604 -0.763) 3.377 12.105 ( 4.219 2.031 1.813) 5.022 12.311 ( -11.529 1.143 0.605) 11.602 12.590 ( 2.172 5.109 -7.893) 9.650 12.841 ( -2.781 -1.107 -10.929) 11.331 13.921 ( 4.671 9.153 1.933) 10.456 13.948 ( 4.689 -2.750 5.464) 7.707 14.054 ( 0.138 -2.702 2.242) 3.514 14.196 ( 2.069 10.970 -7.254) 13.313 14.439 ( 1.481 -5.151 2.723) 6.012 14.659 ( 3.193 -6.484 -4.273) 8.396 14.759 ( 3.105 0.434 -4.053) 5.124 14.864 ( -0.956 1.537 -7.485) 7.701 15.341 ( 3.008 -1.496 4.087) 5.291 15.370 ( 1.073 -0.326 2.722) 2.944 15.752 ( 0.234 5.357 5.498) 7.679 15.838 ( -0.464 5.288 5.305) 7.505 16.028 ( 6.801 4.412 -5.740) 9.933 16.169 ( -4.810 7.466 -9.338) 12.887 16.319 ( 3.421 0.755 -1.172) 3.694 16.504 ( -2.612 2.799 -6.409) 7.466 16.588 ( 0.285 7.347 2.525) 7.774 16.688 ( 0.976 5.814 -0.596) 5.925 17.133 ( -5.249 1.306 6.272) 8.283 17.223 ( -6.946 -2.606 2.254) 7.753 17.884 ( 1.264 -3.704 2.613) 4.706 18.040 ( 0.463 -1.707 -4.272) 4.624 18.182 ( -2.473 -6.720 6.277) 9.522 18.343 ( -1.240 -7.127 -0.491) 7.251 19.926 ( 10.915 7.960 1.951) 13.649 20.046 ( 2.763 5.515 -3.523) 7.103 20.496 ( -4.841 -2.837 3.572) 6.651 20.579 ( -0.286 -8.973 0.661) 9.002 21.093 ( 2.779 -2.808 1.706) 4.303 21.181 ( -2.833 0.317 -1.947) 3.452 21.670 ( 0.498 -1.351 2.224) 2.649 21.763 ( -3.237 -1.149 -1.355) 3.692 ======================= Grid point 198 (71/100) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 18.580 15.452) 24.165 2.888 ( 0.000 25.164 -1.667) 25.219 3.121 ( 0.000 -13.439 3.544) 13.899 3.280 ( 0.000 -10.409 -18.155) 20.928 3.616 ( 0.000 -3.243 -12.684) 13.092 3.778 ( 0.000 4.385 -9.858) 10.789 3.786 ( 0.000 -8.064 -13.081) 15.367 3.967 ( 0.000 -10.130 -12.831) 16.348 4.380 ( 0.000 -0.391 -5.305) 5.320 4.419 ( 0.000 -2.006 -7.315) 7.586 5.237 ( 0.000 -0.873 5.651) 5.718 5.350 ( 0.000 10.510 7.834) 13.109 5.352 ( 0.000 -0.572 1.049) 1.195 5.454 ( 0.000 2.761 5.016) 5.726 5.526 ( 0.000 2.795 6.501) 7.077 5.568 ( 0.000 -0.897 -1.515) 1.761 5.641 ( 0.000 -2.147 0.257) 2.162 5.655 ( 0.000 1.156 -4.034) 4.196 6.049 ( 0.000 12.914 10.781) 16.823 6.173 ( 0.000 8.381 14.032) 16.345 6.533 ( 0.000 7.085 3.137) 7.749 6.804 ( 0.000 -11.541 -7.073) 13.536 6.911 ( 0.000 -0.889 -3.141) 3.264 7.189 ( 0.000 -4.682 -8.680) 9.862 8.167 ( 0.000 2.611 12.571) 12.839 8.308 ( 0.000 0.830 6.403) 6.456 8.551 ( 0.000 1.183 -4.341) 4.499 8.673 ( 0.000 4.163 -9.783) 10.632 8.905 ( 0.000 -0.711 6.273) 6.313 9.182 ( 0.000 0.058 -4.046) 4.046 9.477 ( 0.000 1.221 -0.339) 1.267 9.500 ( 0.000 2.350 -1.888) 3.014 9.740 ( 0.000 6.034 14.510) 15.715 10.110 ( 0.000 0.638 -0.081) 0.643 10.165 ( 0.000 -2.470 -2.195) 3.304 10.320 ( 0.000 8.074 -11.648) 14.173 10.363 ( 0.000 1.566 -0.396) 1.616 10.453 ( 0.000 0.588 1.542) 1.651 10.768 ( 0.000 -2.958 3.181) 4.344 10.840 ( 0.000 -2.760 14.152) 14.419 10.952 ( 0.000 -3.091 -5.905) 6.666 11.139 ( 0.000 -2.882 -0.141) 2.886 11.280 ( 0.000 1.516 0.190) 1.528 11.349 ( 0.000 -0.446 -1.202) 1.282 11.623 ( 0.000 0.483 10.053) 10.064 11.770 ( 0.000 0.243 14.719) 14.721 11.978 ( 0.000 -3.324 -7.091) 7.831 12.060 ( 0.000 3.582 7.375) 8.199 12.371 ( 0.000 -0.231 -9.406) 9.409 12.691 ( 0.000 0.903 -16.027) 16.053 13.061 ( 0.000 0.409 -0.229) 0.469 13.106 ( 0.000 5.390 3.045) 6.191 13.249 ( 0.000 -0.213 -12.237) 12.239 13.320 ( 0.000 -9.606 -6.582) 11.645 13.327 ( 0.000 -1.210 9.326) 9.404 13.759 ( 0.000 0.284 -10.394) 10.398 14.026 ( 0.000 0.754 1.172) 1.393 14.172 ( 0.000 -1.088 -3.852) 4.003 14.566 ( 0.000 -0.799 6.450) 6.499 14.655 ( 0.000 -2.235 1.439) 2.658 15.110 ( 0.000 3.656 -0.117) 3.658 15.144 ( 0.000 0.989 -0.919) 1.350 15.647 ( 0.000 3.702 3.447) 5.058 15.768 ( 0.000 -2.665 -1.207) 2.925 15.913 ( 0.000 -1.396 6.115) 6.273 15.926 ( 0.000 -0.264 8.468) 8.472 16.383 ( 0.000 1.650 5.220) 5.475 16.704 ( 0.000 1.912 0.155) 1.919 16.748 ( 0.000 -0.092 -11.662) 11.663 17.144 ( 0.000 1.730 -18.138) 18.220 17.813 ( 0.000 4.083 11.195) 11.916 17.930 ( 0.000 0.093 4.158) 4.159 18.026 ( 0.000 0.574 1.710) 1.803 18.179 ( 0.000 0.158 -5.901) 5.904 18.250 ( 0.000 -0.148 4.421) 4.424 18.453 ( 0.000 -2.281 -3.555) 4.224 19.290 ( 0.000 15.318 8.900) 17.716 19.535 ( 0.000 -4.863 -1.132) 4.993 19.726 ( 0.000 -9.599 2.039) 9.813 20.255 ( 0.000 -4.533 -18.865) 19.402 21.411 ( 0.000 2.487 5.881) 6.385 21.446 ( 0.000 -1.179 4.490) 4.642 21.863 ( 0.000 0.451 6.815) 6.830 22.115 ( 0.000 0.925 -4.413) 4.509 ======================= Grid point 199 (72/100) ======================= q-point: ( 0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 10.662 24.400 3.638) 26.875 3.002 ( 15.977 15.407 8.394) 23.730 3.229 ( 7.763 -4.039 -6.521) 10.913 3.414 ( 16.412 -16.830 -7.301) 24.616 3.643 ( 3.135 -1.521 -9.396) 10.021 3.738 ( 1.175 -6.019 -11.431) 12.972 3.945 ( 10.881 1.368 -11.118) 15.617 4.071 ( 9.284 -9.064 -12.428) 17.967 4.434 ( 5.434 -0.327 -4.876) 7.308 4.473 ( 6.113 -0.738 -7.248) 9.510 5.244 ( -1.571 1.921 4.996) 5.578 5.296 ( -4.789 5.624 3.909) 8.357 5.409 ( -3.388 2.374 5.436) 6.832 5.433 ( 3.705 0.562 3.227) 4.945 5.470 ( -4.220 -0.601 1.385) 4.482 5.510 ( 1.903 0.024 1.261) 2.283 5.713 ( 5.335 2.478 -1.147) 5.993 5.718 ( 4.120 0.728 -1.163) 4.343 6.073 ( 2.131 9.440 8.283) 12.738 6.187 ( 2.053 8.988 15.905) 18.384 6.524 ( -0.678 6.308 3.691) 7.340 6.804 ( -0.523 -14.596 -6.206) 15.869 6.895 ( -0.852 1.258 -4.755) 4.992 7.165 ( -2.172 -2.237 -8.838) 9.372 8.142 ( -3.097 2.039 12.248) 12.797 8.256 ( -5.334 0.738 5.868) 7.964 8.526 ( -2.453 0.887 -3.282) 4.192 8.704 ( 1.784 3.331 -10.492) 11.151 8.893 ( -0.885 -0.556 7.509) 7.581 9.202 ( 2.664 1.379 -3.702) 4.765 9.586 ( 10.009 1.223 1.210) 10.155 9.593 ( 7.762 2.520 0.919) 8.212 9.758 ( 3.370 5.630 12.281) 13.924 10.081 ( -3.348 0.502 -1.013) 3.534 10.136 ( -2.765 -1.239 -3.706) 4.787 10.264 ( -5.260 5.812 -7.201) 10.644 10.302 ( -5.791 0.908 0.385) 5.874 10.456 ( -0.174 -0.101 -2.976) 2.983 10.752 ( -1.330 -1.955 3.842) 4.511 10.787 ( -4.220 -3.828 12.142) 13.412 10.989 ( 3.220 -1.641 -4.579) 5.834 11.126 ( -1.435 -3.193 -0.482) 3.534 11.266 ( -1.258 2.234 -0.219) 2.573 11.307 ( -3.753 -0.245 -0.369) 3.779 11.645 ( 1.027 0.000 8.474) 8.536 11.799 ( 3.308 0.986 14.779) 15.177 11.939 ( -4.507 -3.265 -4.943) 7.443 12.023 ( -3.429 2.557 5.779) 7.190 12.374 ( 0.801 0.410 -8.449) 8.497 12.572 ( -9.653 0.572 -13.219) 16.378 12.989 ( -10.355 3.486 -3.534) 11.483 13.053 ( -2.183 -1.416 -3.376) 4.262 13.278 ( 9.443 -3.599 3.052) 10.556 13.427 ( 14.114 -0.001 -7.219) 15.853 13.629 ( 16.937 -1.695 -2.006) 17.139 13.772 ( 2.520 -0.124 -2.932) 3.868 14.092 ( 5.645 0.958 -2.741) 6.348 14.222 ( 4.991 -1.953 -4.911) 7.269 14.582 ( 1.672 -1.183 6.657) 6.965 14.672 ( 2.312 -1.291 1.579) 3.083 15.141 ( 2.603 2.986 1.054) 4.099 15.169 ( 2.733 1.188 -1.557) 3.363 15.680 ( 3.397 3.028 2.544) 5.213 15.783 ( 1.585 -2.034 -1.345) 2.908 15.917 ( 0.208 -0.499 5.694) 5.719 15.932 ( 1.131 -0.431 7.904) 7.996 16.385 ( 0.381 1.369 5.303) 5.491 16.667 ( -3.583 1.708 -0.912) 4.073 16.746 ( -0.485 0.364 -10.138) 10.156 17.092 ( -5.345 1.746 -16.983) 17.890 17.757 ( -5.434 3.978 11.377) 13.221 17.869 ( -6.331 -0.276 4.944) 8.037 18.007 ( -3.981 1.516 -1.305) 4.455 18.146 ( -3.953 0.478 -6.571) 7.683 18.210 ( -1.738 -1.035 6.088) 6.415 18.397 ( -4.133 -2.959 -2.255) 5.561 19.383 ( 8.612 14.000 8.065) 18.309 19.611 ( 7.791 -4.462 -1.284) 9.070 19.851 ( 11.756 -8.086 1.754) 14.375 20.283 ( 2.964 -5.175 -16.872) 17.895 21.372 ( -4.420 2.227 5.639) 7.503 21.416 ( -2.665 -0.733 3.523) 4.478 21.828 ( -3.531 0.273 6.843) 7.705 22.074 ( -4.064 0.961 -4.259) 5.965 ======================= Grid point 200 (73/100) ======================= q-point: ( 0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 12.974 22.196 -1.374) 25.747 3.341 ( 12.588 1.835 -2.482) 12.961 3.452 ( 17.389 8.208 -0.700) 19.242 3.709 ( 8.305 -5.515 -6.051) 11.662 3.829 ( 11.420 -7.225 -2.709) 13.783 3.878 ( 22.623 -8.209 -1.356) 24.104 4.149 ( 9.469 2.626 -9.313) 13.538 4.237 ( 6.858 -4.996 -9.347) 12.624 4.573 ( 8.342 1.665 -4.759) 9.748 4.633 ( 8.104 0.054 -7.167) 10.819 5.117 ( -12.143 2.991 -0.935) 12.541 5.139 ( -7.467 1.581 0.096) 7.633 5.384 ( 0.486 0.600 3.267) 3.357 5.413 ( 0.594 0.867 3.117) 3.290 5.554 ( 5.834 1.238 1.369) 6.119 5.607 ( 6.743 -2.177 1.507) 7.244 5.785 ( 3.359 2.753 -3.476) 5.562 5.838 ( 7.504 3.567 2.092) 8.568 6.120 ( 3.158 0.023 4.524) 5.517 6.275 ( 7.565 9.650 18.004) 21.783 6.528 ( 1.913 6.017 3.515) 7.226 6.777 ( -1.277 -13.992 -3.718) 14.534 6.905 ( 1.434 -0.323 -6.891) 7.046 7.128 ( -1.333 1.888 -8.602) 8.907 8.037 ( -7.846 1.521 9.891) 12.717 8.114 ( -9.517 -0.238 4.831) 10.676 8.459 ( -5.004 0.543 0.063) 5.034 8.690 ( -3.721 1.786 -9.971) 10.792 8.885 ( 0.397 0.043 9.782) 9.790 9.273 ( 3.749 3.810 -3.536) 6.409 9.667 ( 0.885 5.629 9.229) 10.846 9.771 ( 6.415 1.688 5.693) 8.741 9.922 ( 4.346 4.151 2.130) 6.376 9.977 ( -2.076 -0.175 0.206) 2.094 10.080 ( -2.660 -0.416 -5.135) 5.798 10.148 ( -6.120 1.592 -5.000) 8.062 10.198 ( -2.645 -1.143 2.485) 3.805 10.464 ( 2.399 -1.571 -4.263) 5.138 10.716 ( -1.146 -1.840 7.586) 7.890 10.744 ( -0.105 -2.780 4.943) 5.672 11.051 ( 1.877 0.772 -4.565) 4.996 11.097 ( -0.277 -3.262 -2.388) 4.052 11.229 ( -4.080 -0.016 -0.294) 4.091 11.245 ( -0.717 2.730 -1.339) 3.124 11.649 ( -0.008 -0.911 7.446) 7.501 11.795 ( -7.917 -1.293 0.402) 8.032 11.877 ( 0.392 0.436 7.335) 7.358 11.967 ( -0.417 0.874 8.907) 8.959 12.340 ( -8.122 1.242 -16.350) 18.298 12.463 ( 2.129 0.513 -0.311) 2.212 12.798 ( -9.748 1.137 -6.404) 11.719 12.990 ( -4.170 -1.279 -9.329) 10.298 13.515 ( 13.198 -0.481 4.772) 14.042 13.704 ( 13.584 0.873 -4.960) 14.488 13.857 ( 8.990 2.602 3.732) 10.076 13.952 ( 14.323 -2.809 -3.213) 14.945 14.194 ( 4.584 -0.027 -5.891) 7.465 14.341 ( 7.079 -2.581 -6.440) 9.912 14.633 ( 3.762 -0.734 6.108) 7.211 14.754 ( 5.947 -0.192 -0.090) 5.951 15.191 ( 2.682 1.131 3.335) 4.426 15.240 ( 4.350 1.507 -1.575) 4.866 15.767 ( 5.235 1.947 0.743) 5.635 15.822 ( 2.104 -1.048 -0.025) 2.351 15.924 ( 0.801 1.744 5.048) 5.401 15.987 ( 5.220 -0.586 3.774) 6.468 16.412 ( 2.979 1.060 5.165) 6.056 16.576 ( -5.915 1.808 -0.870) 6.246 16.729 ( -1.040 1.027 -8.628) 8.750 16.952 ( -9.068 1.616 -14.085) 16.830 17.608 ( -10.473 4.378 9.337) 14.698 17.689 ( -12.647 -0.771 4.603) 13.481 17.891 ( -5.750 0.543 -0.612) 5.808 18.058 ( -4.010 -0.168 -6.101) 7.302 18.212 ( 0.519 -0.602 5.190) 5.251 18.325 ( -3.868 -4.212 -0.141) 5.720 19.582 ( 12.201 10.479 5.835) 17.109 19.802 ( 11.363 -0.838 -2.609) 11.689 20.104 ( 13.445 -6.623 2.510) 15.197 20.364 ( 5.306 -6.488 -11.171) 13.966 21.249 ( -7.924 1.754 5.801) 9.976 21.355 ( -3.818 0.249 -0.020) 3.826 21.743 ( -4.940 -0.192 6.844) 8.443 21.975 ( -6.088 0.800 -3.953) 7.303 ======================= Grid point 201 (74/100) ======================= q-point: ( 0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 16.460 16.600 -0.270) 23.379 3.571 ( 12.441 0.212 -1.406) 12.522 3.695 ( 9.156 7.470 -5.270) 12.939 3.868 ( 8.411 -4.154 -3.038) 9.861 4.103 ( 14.871 5.982 4.182) 16.566 4.259 ( 5.912 1.239 1.638) 6.259 4.286 ( 10.375 -6.645 -2.107) 12.499 4.329 ( 4.382 -1.520 -5.996) 7.580 4.618 ( -8.842 3.889 -3.188) 10.172 4.702 ( 2.197 2.594 -5.936) 6.840 4.890 ( -8.662 1.491 -4.561) 9.902 5.091 ( 1.384 -4.847 -8.350) 9.753 5.439 ( 4.348 0.878 -0.547) 4.470 5.453 ( 4.265 1.334 -1.024) 4.584 5.658 ( 4.554 2.215 -0.426) 5.082 5.701 ( 2.861 2.971 -0.393) 4.144 5.849 ( 3.472 -1.583 -2.093) 4.352 5.989 ( 6.872 -6.198 -2.320) 9.541 6.214 ( 8.297 -3.915 8.192) 12.299 6.470 ( 12.469 7.764 16.920) 22.407 6.621 ( 7.603 7.090 0.062) 10.396 6.797 ( 3.347 -9.014 -3.101) 10.103 6.921 ( 0.277 -0.714 -2.442) 2.560 7.115 ( -0.605 1.276 -5.713) 5.884 7.862 ( -10.212 2.599 5.897) 12.076 7.912 ( -10.968 -2.161 4.519) 12.058 8.330 ( -7.951 0.979 1.985) 8.253 8.565 ( -9.172 0.823 -8.374) 12.447 8.918 ( 3.289 0.909 9.948) 10.517 9.297 ( -2.603 5.042 -3.512) 6.673 9.678 ( 0.614 6.662 7.601) 10.126 9.756 ( -5.992 2.410 5.622) 8.562 9.813 ( -3.315 0.728 3.369) 4.783 9.970 ( -5.258 3.008 0.355) 6.068 10.027 ( -3.544 -1.096 -0.833) 3.802 10.068 ( -2.778 -4.439 -4.222) 6.726 10.290 ( 7.556 -0.910 8.102) 11.116 10.538 ( 2.343 -1.169 4.048) 4.821 10.748 ( 4.473 0.250 -1.739) 4.806 10.809 ( 8.092 -3.013 3.183) 9.203 11.040 ( -1.428 2.989 -3.803) 5.043 11.107 ( -1.611 -2.767 -6.455) 7.205 11.197 ( 2.176 -0.172 -1.140) 2.463 11.249 ( 1.625 1.385 -2.251) 3.103 11.636 ( -6.698 -2.219 2.814) 7.596 11.669 ( 1.174 -1.931 2.172) 3.134 11.838 ( -2.187 1.702 -0.491) 2.814 12.013 ( 3.267 1.690 14.738) 15.190 12.171 ( -8.480 0.566 -11.393) 14.214 12.500 ( -3.372 0.349 3.647) 4.979 12.644 ( -3.120 2.053 -11.448) 12.042 12.901 ( -5.028 -0.915 -12.150) 13.181 13.742 ( 10.877 -0.723 8.113) 13.588 13.903 ( 7.056 0.615 -1.007) 7.154 14.039 ( 8.197 6.085 4.578) 11.188 14.190 ( 10.389 -3.213 -1.479) 10.974 14.270 ( 4.000 -0.766 -8.002) 8.978 14.469 ( 5.645 -3.308 -7.640) 10.059 14.718 ( 4.911 1.045 2.188) 5.477 14.856 ( 3.758 0.538 -3.640) 5.259 15.246 ( 3.307 -0.476 5.285) 6.253 15.325 ( 4.207 0.771 -0.035) 4.277 15.821 ( 0.528 2.020 3.667) 4.220 15.890 ( 4.154 0.400 3.391) 5.377 15.953 ( 3.257 1.722 -1.280) 3.900 16.137 ( 9.944 0.511 -2.469) 10.258 16.446 ( -7.855 2.015 -1.270) 8.208 16.511 ( 7.256 1.921 3.671) 8.356 16.720 ( -0.146 2.577 -5.581) 6.149 16.770 ( -8.658 0.578 -9.871) 13.142 17.376 ( -13.277 3.065 5.343) 14.636 17.419 ( -14.851 -0.951 2.932) 15.167 17.830 ( -0.695 -0.442 3.460) 3.556 18.008 ( -1.720 -1.490 -3.760) 4.395 18.190 ( -3.260 0.575 3.071) 4.515 18.255 ( -2.885 -5.623 0.562) 6.345 19.835 ( 14.152 7.879 3.763) 16.629 20.014 ( 10.569 2.856 -3.544) 11.507 20.312 ( 7.582 -6.443 3.515) 10.553 20.448 ( 2.041 -6.744 -4.225) 8.216 21.110 ( -5.306 1.538 5.347) 7.688 21.274 ( -4.622 0.556 -2.838) 5.452 21.664 ( -2.791 -0.646 5.305) 6.029 21.854 ( -6.425 0.196 -3.550) 7.343 ======================= Grid point 202 (75/100) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 11.585 8.255 0.547) 14.236 3.747 ( 4.256 2.622 5.710) 7.589 3.883 ( 11.381 7.253 -4.252) 14.150 4.009 ( 4.291 5.063 2.004) 6.932 4.199 ( -5.272 3.933 -1.785) 6.815 4.291 ( -1.735 6.822 10.648) 12.764 4.314 ( 0.520 5.463 -6.185) 8.269 4.409 ( -6.460 1.708 -3.879) 7.726 4.485 ( 4.910 -4.417 -10.105) 12.071 4.644 ( -4.775 -4.517 -0.648) 6.605 4.871 ( 2.466 5.363 -7.842) 9.815 5.109 ( 0.157 -11.886 -7.817) 14.227 5.510 ( 3.217 6.399 -3.246) 7.863 5.533 ( 1.617 6.888 -5.065) 8.701 5.712 ( 1.422 -1.395 -2.344) 3.076 5.740 ( 1.391 4.912 -0.990) 5.200 5.899 ( 1.289 -10.564 -1.696) 10.776 6.050 ( 0.816 -15.730 -4.846) 16.479 6.456 ( 14.956 -0.538 7.979) 16.959 6.670 ( -1.456 6.416 3.489) 7.447 6.730 ( 7.058 3.655 3.216) 8.574 6.836 ( 0.233 0.130 3.428) 3.438 6.989 ( 6.233 -0.684 0.189) 6.273 7.091 ( -1.034 -2.663 2.113) 3.554 7.684 ( -6.037 1.115 4.248) 7.465 7.724 ( -8.543 -0.000 5.619) 10.225 8.235 ( 0.248 2.210 -2.388) 3.264 8.370 ( -9.900 -0.096 -7.422) 12.373 9.014 ( 6.873 1.975 6.704) 9.802 9.172 ( -8.877 3.404 0.950) 9.554 9.691 ( 1.136 7.946 0.696) 8.057 9.716 ( -0.007 5.153 6.522) 8.312 9.760 ( -1.636 1.749 8.717) 9.040 9.879 ( -3.386 -3.858 2.021) 5.517 9.970 ( -1.836 -0.614 -1.817) 2.656 10.025 ( -1.399 -5.693 -1.931) 6.172 10.389 ( 3.334 2.669 10.779) 11.594 10.516 ( -2.675 -2.957 9.430) 10.238 10.858 ( 5.431 -0.194 -4.484) 7.045 10.943 ( 0.619 -1.556 0.350) 1.711 11.010 ( 1.736 3.738 -5.574) 6.933 11.078 ( -1.575 0.316 -4.048) 4.355 11.258 ( 3.275 -1.783 -0.570) 3.773 11.296 ( 1.336 -1.884 -1.001) 2.518 11.564 ( 0.915 -1.626 -0.419) 1.913 11.654 ( -4.220 -1.995 -3.928) 6.101 11.868 ( 5.439 2.301 -1.326) 6.053 12.002 ( -6.540 2.511 -4.810) 8.498 12.122 ( 6.591 0.046 8.507) 10.761 12.318 ( -11.828 0.003 3.797) 12.423 12.685 ( 3.622 3.693 -10.122) 11.367 12.809 ( -4.127 -1.768 -11.456) 12.304 13.913 ( 6.201 -0.755 8.165) 10.280 13.977 ( 1.056 -1.328 4.001) 4.346 14.128 ( 1.864 8.706 2.513) 9.251 14.304 ( 1.762 -8.174 2.427) 8.707 14.367 ( 4.726 6.776 -8.916) 12.155 14.531 ( 0.992 -6.247 -6.872) 9.339 14.805 ( 3.748 2.855 -3.785) 6.043 14.882 ( -0.626 -0.017 -6.183) 6.214 15.317 ( 3.978 -0.730 4.765) 6.251 15.368 ( -0.407 0.010 2.057) 2.096 15.839 ( 1.745 2.974 6.014) 6.932 15.901 ( -1.577 1.223 6.730) 7.019 16.089 ( 9.468 1.691 -5.699) 11.179 16.274 ( -8.540 2.738 -6.304) 10.962 16.336 ( 8.814 0.937 -4.497) 9.939 16.532 ( -8.350 0.518 -8.830) 12.164 16.718 ( 7.279 4.592 3.293) 9.215 16.781 ( 3.236 3.091 0.426) 4.495 17.145 ( -9.228 0.095 3.104) 9.736 17.168 ( -9.804 -2.358 2.098) 10.299 17.852 ( 2.297 0.528 4.323) 4.924 17.969 ( -2.598 -4.669 0.880) 5.415 18.132 ( -1.555 1.532 0.849) 2.342 18.214 ( -1.446 -5.748 -0.926) 5.999 20.093 ( 11.744 8.034 2.011) 14.371 20.176 ( 5.007 7.031 -1.724) 8.802 20.377 ( -0.430 -7.766 2.371) 8.131 20.407 ( -4.778 -7.707 0.686) 9.094 21.087 ( 2.369 1.101 3.234) 4.157 21.183 ( -4.736 -0.380 -0.573) 4.786 21.655 ( 1.847 -0.219 0.897) 2.065 21.740 ( -5.239 -0.907 -2.459) 5.858 ======================= Grid point 243 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.000 0.000 -33.404) 33.404 2.359 ( 0.000 0.000 33.404) 33.404 2.490 ( 0.000 0.000 -34.034) 34.034 2.490 ( 0.000 0.000 34.034) 34.034 3.832 ( 0.000 0.000 -46.097) 46.097 3.832 ( 0.000 0.000 46.097) 46.097 4.096 ( 0.000 0.000 -9.838) 9.838 4.096 ( 0.000 0.000 9.838) 9.838 4.406 ( 0.000 0.000 -5.507) 5.507 4.406 ( 0.000 0.000 5.507) 5.507 4.611 ( 0.000 0.000 -1.138) 1.138 4.611 ( 0.000 0.000 1.138) 1.138 5.391 ( 0.000 0.000 -9.475) 9.475 5.391 ( 0.000 0.000 9.475) 9.475 5.510 ( 0.000 0.000 -4.576) 4.576 5.510 ( 0.000 0.000 4.576) 4.576 5.563 ( 0.000 0.000 -0.506) 0.506 5.563 ( 0.000 0.000 0.506) 0.506 5.777 ( 0.000 0.000 -5.736) 5.736 5.777 ( 0.000 0.000 5.736) 5.736 6.306 ( 0.000 0.000 -2.963) 2.963 6.306 ( 0.000 0.000 2.963) 2.963 7.067 ( 0.000 0.000 -7.898) 7.898 7.067 ( 0.000 0.000 7.898) 7.898 7.918 ( 0.000 0.000 -5.022) 5.022 7.918 ( 0.000 0.000 5.022) 5.022 8.480 ( 0.000 0.000 -1.769) 1.769 8.480 ( 0.000 0.000 1.769) 1.769 9.025 ( 0.000 0.000 -7.418) 7.418 9.025 ( 0.000 0.000 7.418) 7.418 9.333 ( 0.000 0.000 -1.014) 1.014 9.333 ( 0.000 0.000 1.014) 1.014 9.387 ( 0.000 0.000 -4.411) 4.411 9.387 ( 0.000 0.000 4.411) 4.411 9.922 ( 0.000 0.000 -5.569) 5.569 9.922 ( 0.000 0.000 5.569) 5.569 10.475 ( 0.000 0.000 -1.241) 1.241 10.475 ( 0.000 0.000 1.241) 1.241 11.019 ( 0.000 0.000 -15.739) 15.739 11.019 ( 0.000 0.000 15.739) 15.739 11.119 ( 0.000 0.000 -5.418) 5.418 11.119 ( 0.000 0.000 5.418) 5.418 11.512 ( 0.000 0.000 -0.110) 0.110 11.512 ( 0.000 0.000 0.110) 0.110 11.907 ( 0.000 0.000 -14.395) 14.395 11.907 ( 0.000 0.000 14.395) 14.395 11.979 ( 0.000 0.000 -7.562) 7.562 11.979 ( 0.000 0.000 7.562) 7.562 12.117 ( 0.000 0.000 -6.004) 6.004 12.117 ( 0.000 0.000 6.004) 6.004 13.072 ( 0.000 0.000 -2.672) 2.672 13.072 ( 0.000 0.000 2.672) 2.672 13.634 ( 0.000 0.000 -4.806) 4.806 13.634 ( 0.000 0.000 4.806) 4.806 13.689 ( 0.000 0.000 -2.621) 2.621 13.689 ( 0.000 0.000 2.621) 2.621 14.093 ( 0.000 0.000 -4.272) 4.272 14.093 ( 0.000 0.000 4.272) 4.272 14.826 ( 0.000 0.000 -0.388) 0.388 14.826 ( 0.000 0.000 0.388) 0.388 14.935 ( 0.000 0.000 -11.376) 11.376 14.935 ( 0.000 0.000 11.376) 11.376 15.643 ( 0.000 0.000 -3.496) 3.496 15.643 ( 0.000 0.000 3.496) 3.496 15.928 ( 0.000 0.000 -0.870) 0.870 15.928 ( 0.000 0.000 0.870) 0.870 16.409 ( 0.000 0.000 -15.266) 15.266 16.409 ( 0.000 0.000 15.266) 15.266 16.552 ( 0.000 0.000 -10.177) 10.177 16.552 ( 0.000 0.000 10.177) 10.177 17.502 ( 0.000 0.000 -2.843) 2.843 17.502 ( 0.000 0.000 2.843) 2.843 17.940 ( 0.000 0.000 -0.212) 0.212 17.940 ( 0.000 0.000 0.212) 0.212 18.573 ( 0.000 0.000 -7.448) 7.448 18.573 ( 0.000 0.000 7.448) 7.448 19.277 ( 0.000 0.000 -14.248) 14.248 19.277 ( 0.000 0.000 14.248) 14.248 20.726 ( 0.000 0.000 -6.027) 6.027 20.726 ( 0.000 0.000 6.027) 6.027 21.297 ( 0.000 0.000 -4.628) 4.628 21.297 ( 0.000 0.000 4.628) 4.628 21.819 ( 0.000 0.000 -1.030) 1.030 21.819 ( 0.000 0.000 1.030) 1.030 ======================= Grid point 245 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 2.031 0.000 -15.421) 15.554 2.367 ( 2.031 0.000 15.421) 15.554 2.548 ( 5.570 0.000 -18.730) 19.541 2.548 ( 5.570 0.000 18.730) 19.541 3.925 ( 2.298 0.000 -14.054) 14.241 3.925 ( 2.298 0.000 14.054) 14.241 4.144 ( 8.063 0.000 -26.304) 27.512 4.144 ( 8.063 0.000 26.304) 27.512 4.484 ( 8.124 0.000 -0.980) 8.183 4.484 ( 8.124 0.000 0.980) 8.183 4.552 ( -5.245 0.000 -8.076) 9.630 4.552 ( -5.245 0.000 8.076) 9.630 5.306 ( -4.092 0.000 -7.978) 8.966 5.306 ( -4.092 0.000 7.978) 8.966 5.504 ( 2.182 0.000 -2.415) 3.255 5.504 ( 2.182 0.000 2.415) 3.255 5.652 ( 5.303 0.000 -7.075) 8.842 5.652 ( 5.303 0.000 7.075) 8.842 5.871 ( 7.886 0.000 -3.298) 8.548 5.871 ( 7.886 0.000 3.298) 8.548 6.416 ( 11.062 0.000 -1.983) 11.238 6.416 ( 11.062 0.000 1.983) 11.238 7.088 ( 2.202 0.000 -7.017) 7.354 7.088 ( 2.202 0.000 7.017) 7.354 7.918 ( -0.112 0.000 -4.807) 4.808 7.918 ( -0.112 0.000 4.807) 4.808 8.421 ( -5.845 0.000 -1.684) 6.082 8.421 ( -5.845 0.000 1.684) 6.082 9.027 ( -0.228 0.000 -7.026) 7.030 9.027 ( -0.228 0.000 7.026) 7.030 9.214 ( -6.708 0.000 -1.454) 6.864 9.214 ( -6.708 0.000 1.454) 6.864 9.583 ( 13.656 0.000 -5.347) 14.666 9.583 ( 13.656 0.000 5.347) 14.666 9.949 ( 3.058 0.000 -4.238) 5.226 9.949 ( 3.058 0.000 4.238) 5.226 10.436 ( -3.746 0.000 -1.468) 4.023 10.436 ( -3.746 0.000 1.468) 4.023 11.000 ( -1.937 0.000 -14.879) 15.004 11.000 ( -1.937 0.000 14.879) 15.004 11.100 ( -2.294 0.000 -3.465) 4.156 11.100 ( -2.294 0.000 3.465) 4.156 11.491 ( -1.564 0.000 -0.873) 1.792 11.491 ( -1.564 0.000 0.873) 1.792 11.797 ( -8.714 0.000 -14.541) 16.952 11.797 ( -8.714 0.000 14.541) 16.952 11.999 ( 1.075 0.000 -12.727) 12.773 11.999 ( 1.075 0.000 12.727) 12.773 12.168 ( 3.178 0.000 -13.059) 13.440 12.168 ( 3.178 0.000 13.059) 13.440 12.921 ( -11.935 0.000 -5.778) 13.260 12.921 ( -11.935 0.000 5.778) 13.260 13.550 ( -3.610 0.000 -5.931) 6.944 13.550 ( -3.610 0.000 5.931) 6.944 13.791 ( 6.026 0.000 -4.719) 7.654 13.791 ( 6.026 0.000 4.719) 7.654 14.269 ( 13.565 0.000 -2.141) 13.733 14.269 ( 13.565 0.000 2.141) 13.733 14.820 ( 1.177 0.000 -2.019) 2.337 14.820 ( 1.177 0.000 2.019) 2.337 14.994 ( 5.046 0.000 -7.831) 9.316 14.994 ( 5.046 0.000 7.831) 9.316 15.652 ( 0.811 0.000 -2.552) 2.677 15.652 ( 0.811 0.000 2.552) 2.677 15.900 ( -2.773 0.000 -0.034) 2.773 15.900 ( -2.773 0.000 0.034) 2.773 16.406 ( -0.331 0.000 -13.596) 13.600 16.406 ( -0.331 0.000 13.596) 13.600 16.530 ( -2.278 0.000 -10.016) 10.272 16.530 ( -2.278 0.000 10.016) 10.272 17.448 ( -5.144 0.000 -4.529) 6.854 17.448 ( -5.144 0.000 4.529) 6.854 17.948 ( 0.968 0.000 -0.190) 0.987 17.948 ( 0.968 0.000 0.190) 0.987 18.586 ( 1.259 0.000 -7.489) 7.594 18.586 ( 1.259 0.000 7.489) 7.594 19.309 ( 3.603 0.000 -13.911) 14.370 19.309 ( 3.603 0.000 13.911) 14.370 20.818 ( 8.538 0.000 -7.197) 11.166 20.818 ( 8.538 0.000 7.197) 11.166 21.234 ( -6.141 0.000 -3.221) 6.934 21.234 ( -6.141 0.000 3.221) 6.934 21.810 ( -0.799 0.000 -1.296) 1.522 21.810 ( -0.799 0.000 1.296) 1.522 ======================= Grid point 247 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 8.707 0.000 -5.020) 10.050 2.466 ( 8.707 0.000 5.020) 10.050 2.694 ( 9.906 0.000 -9.654) 13.832 2.694 ( 9.906 0.000 9.654) 13.832 3.861 ( -6.429 0.000 -1.129) 6.527 3.861 ( -6.429 0.000 1.129) 6.527 4.135 ( -12.431 0.000 -6.267) 13.921 4.135 ( -12.431 0.000 6.267) 13.921 4.417 ( -7.689 0.000 -10.110) 12.702 4.417 ( -7.689 0.000 10.110) 12.702 4.866 ( 28.102 0.000 -21.052) 35.113 4.866 ( 28.102 0.000 21.052) 35.113 5.329 ( 6.094 0.000 -2.863) 6.733 5.329 ( 6.094 0.000 2.863) 6.733 5.622 ( 10.854 0.000 -2.904) 11.236 5.622 ( 10.854 0.000 2.904) 11.236 5.734 ( 3.799 0.000 -3.496) 5.163 5.734 ( 3.799 0.000 3.496) 5.163 6.045 ( 10.609 0.000 -2.632) 10.931 6.045 ( 10.609 0.000 2.632) 10.931 6.686 ( 16.361 0.000 -0.083) 16.361 6.686 ( 16.361 0.000 0.083) 16.361 7.149 ( 4.123 0.000 -5.144) 6.593 7.149 ( 4.123 0.000 5.144) 6.593 7.904 ( -1.748 0.000 -4.543) 4.868 7.904 ( -1.748 0.000 4.543) 4.868 8.276 ( -9.287 0.000 -1.219) 9.367 8.276 ( -9.287 0.000 1.219) 9.367 8.998 ( -3.240 0.000 -4.458) 5.512 8.998 ( -3.240 0.000 4.458) 5.512 9.075 ( -8.166 0.000 -2.999) 8.699 9.075 ( -8.166 0.000 2.999) 8.699 9.826 ( 10.280 0.000 -5.237) 11.537 9.826 ( 10.280 0.000 5.237) 11.537 10.031 ( 3.807 0.000 -0.079) 3.808 10.031 ( 3.807 0.000 0.079) 3.808 10.373 ( -1.247 0.000 -2.740) 3.011 10.373 ( -1.247 0.000 2.740) 3.011 10.959 ( -1.550 0.000 -9.434) 9.560 10.959 ( -1.550 0.000 9.434) 9.560 11.043 ( -2.673 0.000 -1.194) 2.928 11.043 ( -2.673 0.000 1.194) 2.928 11.468 ( -0.971 0.000 -0.479) 1.082 11.468 ( -0.971 0.000 0.479) 1.082 11.636 ( -7.398 0.000 -15.963) 17.594 11.636 ( -7.398 0.000 15.963) 17.594 12.003 ( -0.656 0.000 -13.848) 13.864 12.003 ( -0.656 0.000 13.848) 13.864 12.187 ( -1.789 0.000 -15.704) 15.805 12.187 ( -1.789 0.000 15.704) 15.805 12.746 ( -5.185 0.000 -7.760) 9.333 12.746 ( -5.185 0.000 7.760) 9.333 13.499 ( -2.060 0.000 -7.987) 8.249 13.499 ( -2.060 0.000 7.987) 8.249 13.913 ( 6.773 0.000 -4.309) 8.028 13.913 ( 6.773 0.000 4.309) 8.028 14.459 ( 5.763 0.000 -1.523) 5.960 14.459 ( 5.763 0.000 1.523) 5.960 14.905 ( 6.750 0.000 -3.054) 7.409 14.905 ( 6.750 0.000 3.054) 7.409 15.109 ( 7.075 0.000 -3.632) 7.953 15.109 ( 7.075 0.000 3.632) 7.953 15.664 ( 0.059 0.000 -0.998) 0.999 15.664 ( 0.059 0.000 0.998) 0.999 15.838 ( -3.130 0.000 -0.974) 3.278 15.838 ( -3.130 0.000 0.974) 3.278 16.395 ( -0.920 0.000 -9.679) 9.723 16.395 ( -0.920 0.000 9.679) 9.723 16.466 ( -4.388 0.000 -9.142) 10.140 16.466 ( -4.388 0.000 9.142) 10.140 17.339 ( -5.628 0.000 -6.733) 8.776 17.339 ( -5.628 0.000 6.733) 8.776 17.980 ( 2.315 0.000 -0.160) 2.320 17.980 ( 2.315 0.000 0.160) 2.320 18.608 ( 0.726 0.000 -6.731) 6.770 18.608 ( 0.726 0.000 6.731) 6.770 19.422 ( 8.419 0.000 -12.438) 15.019 19.422 ( 8.419 0.000 12.438) 15.019 20.929 ( -3.343 0.000 -8.228) 8.881 20.929 ( -3.343 0.000 8.228) 8.881 21.148 ( 2.797 0.000 -0.883) 2.933 21.148 ( 2.797 0.000 0.883) 2.933 21.794 ( -0.831 0.000 -1.701) 1.893 21.794 ( -0.831 0.000 1.701) 1.893 ======================= Grid point 249 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 14.607 0.000 -5.700) 15.679 2.690 ( 14.607 0.000 5.700) 15.679 2.919 ( 13.646 0.000 -7.527) 15.584 2.919 ( 13.646 0.000 7.527) 15.584 3.708 ( -10.180 0.000 -4.240) 11.028 3.708 ( -10.180 0.000 4.240) 11.028 3.816 ( -18.676 0.000 -9.262) 20.846 3.816 ( -18.676 0.000 9.262) 20.846 4.241 ( -9.677 0.000 -4.907) 10.850 4.241 ( -9.677 0.000 4.907) 10.850 5.276 ( 11.305 0.000 -4.690) 12.240 5.276 ( 11.305 0.000 4.690) 12.240 5.462 ( 6.194 0.000 -0.241) 6.199 5.462 ( 6.194 0.000 0.241) 6.199 5.791 ( 3.484 0.000 -2.025) 4.030 5.791 ( 3.484 0.000 2.025) 4.030 6.024 ( 31.295 0.000 -16.467) 35.363 6.024 ( 31.295 0.000 16.467) 35.363 6.264 ( 11.725 0.000 -1.158) 11.782 6.264 ( 11.725 0.000 1.158) 11.782 6.999 ( 15.725 0.000 -2.944) 15.999 6.999 ( 15.725 0.000 2.944) 15.999 7.228 ( 3.365 0.000 -4.067) 5.278 7.228 ( 3.365 0.000 4.067) 5.278 7.836 ( -6.009 0.000 -4.877) 7.739 7.836 ( -6.009 0.000 4.877) 7.739 8.079 ( -10.925 0.000 -0.876) 10.960 8.079 ( -10.925 0.000 0.876) 10.960 8.859 ( -10.993 0.000 -2.555) 11.286 8.859 ( -10.993 0.000 2.555) 11.286 8.955 ( -4.126 0.000 -6.422) 7.633 8.955 ( -4.126 0.000 6.422) 7.633 9.963 ( 4.265 0.000 -1.132) 4.413 9.963 ( 4.265 0.000 1.132) 4.413 10.031 ( -1.780 0.000 -2.383) 2.974 10.031 ( -1.780 0.000 2.383) 2.974 10.371 ( -1.835 0.000 -5.951) 6.228 10.371 ( -1.835 0.000 5.951) 6.228 10.936 ( -2.074 0.000 -1.270) 2.432 10.936 ( -2.074 0.000 1.270) 2.432 11.098 ( 10.315 0.000 -6.107) 11.988 11.098 ( 10.315 0.000 6.107) 11.988 11.442 ( -2.192 0.000 -0.845) 2.349 11.442 ( -2.192 0.000 0.845) 2.349 11.543 ( -1.579 0.000 -13.068) 13.163 11.543 ( -1.579 0.000 13.068) 13.163 11.980 ( -1.656 0.000 -9.959) 10.096 11.980 ( -1.656 0.000 9.959) 10.096 12.101 ( -6.716 0.000 -10.728) 12.657 12.101 ( -6.716 0.000 10.728) 12.657 12.713 ( 0.423 0.000 -8.310) 8.321 12.713 ( 0.423 0.000 8.310) 8.321 13.466 ( -1.487 0.000 -7.543) 7.688 13.466 ( -1.487 0.000 7.543) 7.688 14.036 ( 5.827 0.000 -2.802) 6.466 14.036 ( 5.827 0.000 2.802) 6.466 14.534 ( 3.304 0.000 -2.865) 4.374 14.534 ( 3.304 0.000 2.865) 4.374 15.005 ( 2.878 0.000 -3.118) 4.243 15.005 ( 2.878 0.000 3.118) 4.243 15.253 ( 7.387 0.000 -0.411) 7.398 15.253 ( 7.387 0.000 0.411) 7.398 15.650 ( -0.955 0.000 -2.168) 2.369 15.650 ( -0.955 0.000 2.168) 2.369 15.795 ( -1.665 0.000 -1.230) 2.070 15.795 ( -1.665 0.000 1.230) 2.070 16.372 ( -1.857 0.000 -3.637) 4.084 16.372 ( -1.857 0.000 3.637) 4.084 16.377 ( -4.000 0.000 -8.706) 9.581 16.377 ( -4.000 0.000 8.706) 9.581 17.253 ( -3.254 0.000 -6.122) 6.933 17.253 ( -3.254 0.000 6.122) 6.933 18.031 ( 2.882 0.000 -0.260) 2.893 18.031 ( 2.882 0.000 0.260) 2.893 18.605 ( -0.959 0.000 -4.553) 4.653 18.605 ( -0.959 0.000 4.553) 4.653 19.623 ( 12.327 0.000 -9.516) 15.572 19.623 ( 12.327 0.000 9.516) 15.572 20.726 ( -13.803 0.000 -4.662) 14.569 20.726 ( -13.803 0.000 4.662) 14.569 21.293 ( 8.313 0.000 -2.391) 8.650 21.293 ( 8.313 0.000 2.391) 8.650 21.778 ( -0.801 0.000 -1.546) 1.741 21.778 ( -0.801 0.000 1.546) 1.741 ======================= Grid point 251 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 16.842 0.000 -8.102) 18.689 2.998 ( 16.842 0.000 8.102) 18.689 3.185 ( 12.146 0.000 -8.025) 14.558 3.185 ( 12.146 0.000 8.025) 14.558 3.426 ( -16.136 0.000 -0.454) 16.142 3.426 ( -16.136 0.000 0.454) 16.142 3.524 ( -12.688 0.000 -2.407) 12.914 3.524 ( -12.688 0.000 2.407) 12.914 4.102 ( -4.076 0.000 -1.325) 4.286 4.102 ( -4.076 0.000 1.325) 4.286 5.372 ( 1.476 0.000 -0.025) 1.476 5.372 ( 1.476 0.000 0.025) 1.476 5.538 ( 1.875 0.000 -0.227) 1.889 5.538 ( 1.875 0.000 0.227) 1.889 5.839 ( 1.378 0.000 -0.090) 1.381 5.839 ( 1.378 0.000 0.090) 1.381 6.435 ( 5.275 0.000 -1.402) 5.458 6.435 ( 5.275 0.000 1.402) 5.458 6.680 ( 33.013 0.000 -12.482) 35.294 6.680 ( 33.013 0.000 12.482) 35.294 7.160 ( -9.929 0.000 -1.140) 9.994 7.160 ( -9.929 0.000 1.140) 9.994 7.255 ( 4.629 0.000 -3.641) 5.890 7.255 ( 4.629 0.000 3.641) 5.890 7.703 ( -4.457 0.000 -2.652) 5.187 7.703 ( -4.457 0.000 2.652) 5.187 7.909 ( -5.869 0.000 -2.814) 6.509 7.909 ( -5.869 0.000 2.814) 6.509 8.671 ( -6.570 0.000 -1.170) 6.674 8.671 ( -6.570 0.000 1.170) 6.674 8.898 ( -1.676 0.000 -2.312) 2.855 8.898 ( -1.676 0.000 2.312) 2.855 9.973 ( -0.649 0.000 -0.844) 1.065 9.973 ( -0.649 0.000 0.844) 1.065 10.049 ( 1.568 0.000 -1.506) 2.174 10.049 ( 1.568 0.000 1.506) 2.174 10.309 ( -2.832 0.000 -2.899) 4.053 10.309 ( -2.832 0.000 2.899) 4.053 10.903 ( -1.003 0.000 -0.733) 1.242 10.903 ( -1.003 0.000 0.733) 1.242 11.298 ( 6.840 0.000 -2.604) 7.319 11.298 ( 6.840 0.000 2.604) 7.319 11.391 ( -2.493 0.000 -0.903) 2.651 11.391 ( -2.493 0.000 0.903) 2.651 11.597 ( 6.193 0.000 -4.127) 7.442 11.597 ( 6.193 0.000 4.127) 7.442 11.937 ( -4.909 0.000 -3.109) 5.811 11.937 ( -4.909 0.000 3.109) 5.811 11.969 ( -3.612 0.000 -2.290) 4.277 11.969 ( -3.612 0.000 2.290) 4.277 12.725 ( 0.463 0.000 -3.708) 3.736 12.725 ( 0.463 0.000 3.708) 3.736 13.445 ( -0.608 0.000 -3.199) 3.257 13.445 ( -0.608 0.000 3.199) 3.257 14.116 ( 2.266 0.000 -0.870) 2.427 14.116 ( 2.266 0.000 0.870) 2.427 14.593 ( 2.307 0.000 -1.605) 2.810 14.593 ( 2.307 0.000 1.605) 2.810 15.018 ( -0.578 0.000 -1.077) 1.222 15.018 ( -0.578 0.000 1.077) 1.222 15.358 ( 3.142 0.000 -0.202) 3.148 15.358 ( 3.142 0.000 0.202) 3.148 15.652 ( 1.063 0.000 -2.409) 2.633 15.652 ( 1.063 0.000 2.409) 2.633 15.758 ( -2.059 0.000 -2.305) 3.091 15.758 ( -2.059 0.000 2.305) 3.091 16.313 ( -1.721 0.000 -2.506) 3.040 16.313 ( -1.721 0.000 2.506) 3.040 16.352 ( -0.710 0.000 -1.916) 2.043 16.352 ( -0.710 0.000 1.916) 2.043 17.214 ( -0.969 0.000 -2.456) 2.640 17.214 ( -0.969 0.000 2.456) 2.640 18.076 ( 1.442 0.000 -0.182) 1.454 18.076 ( 1.442 0.000 0.182) 1.454 18.584 ( -0.852 0.000 -1.621) 1.832 18.584 ( -0.852 0.000 1.621) 1.832 19.845 ( 8.918 0.000 -4.640) 10.053 19.845 ( 8.918 0.000 4.640) 10.053 20.485 ( -9.396 0.000 -2.795) 9.803 20.485 ( -9.396 0.000 2.795) 9.803 21.409 ( 3.347 0.000 -0.932) 3.474 21.409 ( 3.347 0.000 0.932) 3.474 21.765 ( -0.483 0.000 -0.638) 0.801 21.765 ( -0.483 0.000 0.638) 0.801 ======================= Grid point 261 (81/100) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.000 2.863 -34.218) 34.337 2.380 ( 0.000 2.863 34.218) 34.337 2.533 ( 0.000 4.432 -32.750) 33.048 2.533 ( 0.000 4.432 32.750) 33.048 3.953 ( 0.000 6.727 -21.324) 22.360 3.953 ( 0.000 6.727 21.324) 22.360 4.221 ( 0.000 16.297 -27.309) 31.801 4.221 ( 0.000 16.297 27.309) 31.801 4.348 ( 0.000 -5.897 -6.977) 9.136 4.348 ( 0.000 -5.897 6.977) 9.136 4.575 ( 0.000 -3.636 -0.964) 3.762 4.575 ( 0.000 -3.636 0.964) 3.762 5.415 ( 0.000 1.961 -8.753) 8.970 5.415 ( 0.000 1.961 8.753) 8.970 5.539 ( 0.000 -2.060 -4.768) 5.194 5.539 ( 0.000 -2.060 4.768) 5.194 5.547 ( 0.000 3.033 -7.059) 7.682 5.547 ( 0.000 3.033 7.059) 7.682 5.742 ( 0.000 -1.976 -4.183) 4.626 5.742 ( 0.000 -1.976 4.183) 4.626 6.309 ( 0.000 0.236 -3.885) 3.892 6.309 ( 0.000 0.236 3.885) 3.892 7.141 ( 0.000 6.484 -7.752) 10.106 7.141 ( 0.000 6.484 7.752) 10.106 7.977 ( 0.000 5.932 -6.208) 8.587 7.977 ( 0.000 5.932 6.208) 8.587 8.464 ( 0.000 -1.292 -2.107) 2.472 8.464 ( 0.000 -1.292 2.107) 2.472 9.129 ( 0.000 9.877 -7.212) 12.230 9.129 ( 0.000 9.877 7.212) 12.230 9.304 ( 0.000 -7.191 -5.574) 9.099 9.304 ( 0.000 -7.191 5.574) 9.099 9.365 ( 0.000 3.626 -1.783) 4.040 9.365 ( 0.000 3.626 1.783) 4.040 10.007 ( 0.000 6.922 -4.141) 8.066 10.007 ( 0.000 6.922 4.141) 8.066 10.470 ( 0.000 -0.499 -1.715) 1.786 10.470 ( 0.000 -0.499 1.715) 1.786 11.018 ( 0.000 0.164 -12.546) 12.547 11.018 ( 0.000 0.164 12.546) 12.547 11.101 ( 0.000 -1.990 -3.990) 4.458 11.101 ( 0.000 -1.990 3.990) 4.458 11.498 ( 0.000 -1.839 -1.166) 2.177 11.498 ( 0.000 -1.839 1.166) 2.177 11.926 ( 0.000 2.421 -17.031) 17.202 11.926 ( 0.000 2.421 17.031) 17.202 11.958 ( 0.000 -1.947 -10.681) 10.857 11.958 ( 0.000 -1.947 10.681) 10.857 12.111 ( 0.000 -0.582 -9.061) 9.079 12.111 ( 0.000 -0.582 9.061) 9.079 13.078 ( 0.000 0.548 -3.607) 3.648 13.078 ( 0.000 0.548 3.607) 3.648 13.621 ( 0.000 -1.250 -6.107) 6.234 13.621 ( 0.000 -1.250 6.107) 6.234 13.669 ( 0.000 -3.318 -8.456) 9.083 13.669 ( 0.000 -3.318 8.456) 9.083 14.048 ( 0.000 -2.522 -5.954) 6.466 14.048 ( 0.000 -2.522 5.954) 6.466 14.807 ( 0.000 -1.953 -2.164) 2.915 14.807 ( 0.000 -1.953 2.164) 2.915 14.945 ( 0.000 0.614 -8.346) 8.368 14.945 ( 0.000 0.614 8.346) 8.368 15.660 ( 0.000 1.820 -3.625) 4.056 15.660 ( 0.000 1.820 3.625) 4.056 15.964 ( 0.000 2.941 -4.080) 5.029 15.964 ( 0.000 2.941 4.080) 5.029 16.424 ( 0.000 1.468 -14.564) 14.638 16.424 ( 0.000 1.468 14.564) 14.638 16.575 ( 0.000 2.548 -11.335) 11.618 16.575 ( 0.000 2.548 11.335) 11.618 17.574 ( 0.000 7.032 -6.610) 9.651 17.574 ( 0.000 7.032 6.610) 9.651 17.944 ( 0.000 0.433 -0.486) 0.651 17.944 ( 0.000 0.433 0.486) 0.651 18.551 ( 0.000 -2.175 -7.388) 7.702 18.551 ( 0.000 -2.175 7.388) 7.702 19.261 ( 0.000 -1.310 -14.006) 14.067 19.261 ( 0.000 -1.310 14.006) 14.067 20.629 ( 0.000 -9.089 -6.264) 11.039 20.629 ( 0.000 -9.089 6.264) 11.039 21.337 ( 0.000 3.399 -5.105) 6.133 21.337 ( 0.000 3.399 5.105) 6.133 21.850 ( 0.000 2.912 -2.221) 3.663 21.850 ( 0.000 2.912 2.221) 3.663 ======================= Grid point 263 (82/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.335 0.007 -32.980) 32.982 2.322 ( -0.335 0.007 32.980) 32.982 2.713 ( 12.595 11.975 -28.240) 33.159 2.713 ( 12.595 11.975 28.240) 33.159 3.966 ( -0.928 2.502 -6.715) 7.226 3.966 ( -0.928 2.502 6.715) 7.226 4.238 ( 0.540 7.552 -18.971) 20.426 4.238 ( 0.540 7.552 18.971) 20.426 4.448 ( 11.228 -0.991 -4.030) 11.970 4.448 ( 11.228 -0.991 4.030) 11.970 4.592 ( 1.889 3.767 -10.060) 10.906 4.592 ( 1.889 3.767 10.060) 10.906 5.318 ( -5.978 1.217 -8.872) 10.768 5.318 ( -5.978 1.217 8.872) 10.768 5.505 ( 2.399 -0.044 -1.941) 3.087 5.505 ( 2.399 -0.044 1.941) 3.087 5.660 ( 6.458 0.268 -9.610) 11.582 5.660 ( 6.458 0.268 9.610) 11.582 5.828 ( 6.363 -2.345 -1.006) 6.856 5.828 ( 6.363 -2.345 1.006) 6.856 6.411 ( 10.214 -0.769 -3.425) 10.800 6.411 ( 10.214 -0.769 3.425) 10.800 7.134 ( -0.453 4.030 -7.254) 8.311 7.134 ( -0.453 4.030 7.254) 8.311 7.988 ( 0.925 6.942 -6.666) 9.669 7.988 ( 0.925 6.942 6.666) 9.669 8.413 ( -5.037 -0.509 -2.227) 5.531 8.413 ( -5.037 -0.509 2.227) 5.531 9.127 ( -0.863 8.153 -5.407) 9.822 9.127 ( -0.863 8.153 5.407) 9.822 9.191 ( -5.901 -0.778 -4.381) 7.391 9.191 ( -5.901 -0.778 4.381) 7.391 9.566 ( 14.396 -0.636 -3.644) 14.863 9.566 ( 14.396 -0.636 3.644) 14.863 10.018 ( 1.169 5.550 -2.375) 6.149 10.018 ( 1.169 5.550 2.375) 6.149 10.432 ( -3.547 -0.337 -2.048) 4.109 10.432 ( -3.547 -0.337 2.048) 4.109 10.998 ( -1.885 0.004 -11.225) 11.382 10.998 ( -1.885 0.004 11.225) 11.382 11.087 ( -1.758 -1.340 -2.774) 3.547 11.087 ( -1.758 -1.340 2.774) 3.547 11.468 ( -2.580 -2.697 -0.787) 3.814 11.468 ( -2.580 -2.697 0.787) 3.814 11.818 ( -7.647 2.552 -16.909) 18.733 11.818 ( -7.647 2.552 16.909) 18.733 11.980 ( 0.753 -1.687 -12.817) 12.949 11.980 ( 0.753 -1.687 12.817) 12.949 12.170 ( 3.778 0.133 -14.251) 14.744 12.170 ( 3.778 0.133 14.251) 14.744 12.935 ( -11.417 1.303 -6.688) 13.296 12.935 ( -11.417 1.303 6.688) 13.296 13.549 ( -2.283 -0.414 -5.526) 5.993 13.549 ( -2.283 -0.414 5.526) 5.993 13.782 ( 6.219 -1.328 -5.588) 8.465 13.782 ( 6.219 -1.328 5.588) 8.465 14.216 ( 13.820 -4.176 -4.143) 15.020 14.216 ( 13.820 -4.176 4.143) 15.020 14.796 ( 0.157 -2.248 -3.371) 4.054 14.796 ( 0.157 -2.248 3.371) 4.054 15.004 ( 5.267 0.565 -6.168) 8.131 15.004 ( 5.267 0.565 6.168) 8.131 15.673 ( 1.259 2.170 -2.623) 3.629 15.673 ( 1.259 2.170 2.623) 3.629 15.933 ( -3.064 2.762 -4.439) 6.060 15.933 ( -3.064 2.762 4.439) 6.060 16.421 ( -0.374 1.506 -12.702) 12.796 16.421 ( -0.374 1.506 12.702) 12.796 16.553 ( -2.273 2.434 -10.179) 10.709 16.553 ( -2.273 2.434 10.179) 10.709 17.516 ( -5.682 6.595 -6.559) 10.900 17.516 ( -5.682 6.595 6.559) 10.900 17.949 ( 0.647 0.113 -0.787) 1.025 17.949 ( 0.647 0.113 0.787) 1.025 18.560 ( 0.938 -2.567 -7.380) 7.870 18.560 ( 0.938 -2.567 7.380) 7.870 19.300 ( 4.178 -0.665 -13.724) 14.361 19.300 ( 4.178 -0.665 13.724) 14.361 20.717 ( 8.297 -9.336 -6.320) 13.998 20.717 ( 8.297 -9.336 6.320) 13.998 21.279 ( -5.780 3.726 -4.298) 8.109 21.279 ( -5.780 3.726 4.298) 8.109 21.836 ( -1.270 2.443 -2.035) 3.424 21.836 ( -1.270 2.443 2.035) 3.424 ======================= Grid point 265 (83/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 10.234 0.477 -27.913) 29.734 2.418 ( 10.234 0.477 27.913) 29.734 2.938 ( 11.061 18.596 -25.529) 33.465 2.938 ( 11.061 18.596 25.529) 33.465 3.894 ( -5.964 2.887 -1.613) 6.819 3.894 ( -5.964 2.887 1.613) 6.819 4.155 ( -9.538 1.819 -3.694) 10.389 4.155 ( -9.538 1.819 3.694) 10.389 4.481 ( -8.272 6.014 -6.814) 12.289 4.481 ( -8.272 6.014 6.814) 12.289 4.879 ( 24.619 1.333 -18.423) 30.778 4.879 ( 24.619 1.333 18.423) 30.778 5.320 ( 6.055 -0.533 -3.965) 7.258 5.320 ( 6.055 -0.533 3.965) 7.258 5.634 ( 12.006 1.402 -4.588) 12.929 5.634 ( 12.006 1.402 4.588) 12.929 5.771 ( 5.121 2.470 -7.331) 9.277 5.771 ( 5.121 2.470 7.331) 9.277 5.971 ( 9.552 -5.182 -2.209) 11.090 5.971 ( 9.552 -5.182 2.209) 11.090 6.653 ( 14.150 -3.697 -4.606) 15.333 6.653 ( 14.150 -3.697 4.606) 15.333 7.135 ( 0.822 -1.295 -6.151) 6.340 7.135 ( 0.822 -1.295 6.151) 6.340 7.995 ( -0.711 8.353 -8.297) 11.795 7.995 ( -0.711 8.353 8.297) 11.795 8.286 ( -8.220 1.392 -2.781) 8.788 8.286 ( -8.220 1.392 2.781) 8.788 9.044 ( -7.747 -1.006 -0.547) 7.831 9.044 ( -7.747 -1.006 0.547) 7.831 9.116 ( -2.776 9.635 -7.315) 12.411 9.116 ( -2.776 9.635 7.315) 12.411 9.834 ( 11.821 0.785 -6.432) 13.481 9.834 ( 11.821 0.785 6.432) 13.481 10.045 ( 0.778 1.123 -1.341) 1.915 10.045 ( 0.778 1.123 1.341) 1.915 10.376 ( -0.801 0.309 -3.513) 3.616 10.376 ( -0.801 0.309 3.513) 3.616 10.958 ( -2.017 -0.044 -6.168) 6.489 10.958 ( -2.017 -0.044 6.168) 6.489 11.044 ( -1.557 0.081 -2.855) 3.253 11.044 ( -1.557 0.081 2.855) 3.253 11.418 ( -2.554 -4.861 -2.740) 6.136 11.418 ( -2.554 -4.861 2.740) 6.136 11.686 ( -5.771 4.821 -16.333) 17.981 11.686 ( -5.771 4.821 16.333) 17.981 11.980 ( -0.822 -2.283 -12.700) 12.930 11.980 ( -0.822 -2.283 12.700) 12.930 12.202 ( -0.962 1.371 -15.845) 15.933 12.202 ( -0.962 1.371 15.845) 15.933 12.757 ( -6.177 1.104 -9.018) 10.987 12.757 ( -6.177 1.104 9.018) 10.987 13.532 ( 0.143 3.076 -7.538) 8.143 13.532 ( 0.143 3.076 7.538) 8.143 13.903 ( 6.698 -1.059 -4.820) 8.320 13.903 ( 6.698 -1.059 4.820) 8.320 14.432 ( 7.593 -2.565 -1.081) 8.087 14.432 ( 7.593 -2.565 1.081) 8.087 14.846 ( 4.887 -4.818 -4.390) 8.147 14.846 ( 4.887 -4.818 4.390) 8.147 15.126 ( 7.462 1.031 -3.280) 8.216 15.126 ( 7.462 1.031 3.280) 8.216 15.699 ( 1.150 3.425 -1.490) 3.908 15.699 ( 1.150 3.425 1.490) 3.908 15.862 ( -3.894 2.127 -5.496) 7.064 15.862 ( -3.894 2.127 5.496) 7.064 16.404 ( -1.656 1.214 -7.028) 7.322 16.404 ( -1.656 1.214 7.028) 7.322 16.496 ( -3.409 2.783 -5.703) 7.203 16.496 ( -3.409 2.783 5.703) 7.203 17.389 ( -6.848 4.966 -6.975) 10.964 17.389 ( -6.848 4.966 6.975) 10.964 17.973 ( 1.856 -0.689 -1.207) 2.319 17.973 ( 1.856 -0.689 1.207) 2.319 18.577 ( 0.436 -3.177 -6.579) 7.319 18.577 ( 0.436 -3.177 6.579) 7.319 19.423 ( 8.886 0.384 -12.230) 15.122 19.423 ( 8.886 0.384 12.230) 15.122 20.860 ( 2.854 -7.095 -5.834) 9.619 20.860 ( 2.854 -7.095 5.834) 9.619 21.165 ( -2.962 2.029 -2.023) 4.121 21.165 ( -2.962 2.029 2.023) 4.121 21.809 ( -1.384 1.437 -2.012) 2.833 21.809 ( -1.384 1.437 2.012) 2.833 ======================= Grid point 267 (84/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 17.616 3.051 -19.068) 26.139 2.688 ( 17.616 3.051 19.068) 26.139 3.140 ( 10.488 18.366 -21.169) 29.924 3.140 ( 10.488 18.366 21.169) 29.924 3.751 ( -9.504 4.337 -4.968) 11.568 3.751 ( -9.504 4.337 4.968) 11.568 3.905 ( -15.666 8.367 -8.277) 19.594 3.905 ( -15.666 8.367 8.277) 19.594 4.290 ( -9.732 5.036 -5.159) 12.112 4.290 ( -9.732 5.036 5.159) 12.112 5.237 ( 10.625 -4.018 -3.074) 11.768 5.237 ( 10.625 -4.018 3.074) 11.768 5.454 ( 6.187 -0.518 -0.813) 6.262 5.454 ( 6.187 -0.518 0.813) 6.262 5.846 ( 3.961 4.498 -4.352) 7.407 5.846 ( 3.961 4.498 4.352) 7.407 6.042 ( 29.858 1.851 -15.935) 33.895 6.042 ( 29.858 1.851 15.935) 33.895 6.184 ( 11.793 -6.780 -4.942) 14.472 6.184 ( 11.793 -6.780 4.942) 14.472 6.909 ( 11.543 -8.123 -7.597) 16.029 6.909 ( 11.543 -8.123 7.597) 16.029 7.171 ( 3.295 -5.263 -6.246) 8.808 7.171 ( 3.295 -5.263 6.246) 8.808 7.935 ( -6.841 7.115 -10.245) 14.226 7.935 ( -6.841 7.115 10.245) 14.226 8.112 ( -9.288 4.541 -3.271) 10.843 8.112 ( -9.288 4.541 3.271) 10.843 8.868 ( -10.141 0.847 -2.166) 10.405 8.868 ( -10.141 0.847 2.166) 10.405 9.058 ( -3.181 10.254 -5.356) 11.998 9.058 ( -3.181 10.254 5.356) 11.998 9.970 ( 2.192 0.460 -5.388) 5.835 9.970 ( 2.192 0.460 5.388) 5.835 10.033 ( 0.023 0.300 -2.345) 2.364 10.033 ( 0.023 0.300 2.345) 2.364 10.385 ( -0.792 1.413 -6.124) 6.335 10.385 ( -0.792 1.413 6.124) 6.335 10.922 ( -1.885 -1.100 -1.876) 2.877 10.922 ( -1.885 -1.100 1.876) 2.877 11.108 ( 9.048 0.605 -6.331) 11.059 11.108 ( 9.048 0.605 6.331) 11.059 11.377 ( -1.500 -5.449 -5.610) 7.964 11.377 ( -1.500 -5.449 5.610) 7.964 11.608 ( -2.139 5.474 -13.862) 15.056 11.608 ( -2.139 5.474 13.862) 15.056 11.952 ( -2.053 -2.739 -8.834) 9.474 11.952 ( -2.053 -2.739 8.834) 9.474 12.134 ( -5.777 3.126 -11.659) 13.382 12.134 ( -5.777 3.126 11.659) 13.382 12.696 ( -1.214 -1.417 -9.772) 9.949 12.696 ( -1.214 -1.417 9.772) 9.949 13.545 ( 0.967 7.451 -6.885) 10.191 13.545 ( 0.967 7.451 6.885) 10.191 14.026 ( 5.820 -1.062 -3.611) 6.931 14.026 ( 5.820 -1.062 3.611) 6.931 14.529 ( 3.892 -0.470 -3.675) 5.373 14.529 ( 3.892 -0.470 3.675) 5.373 14.931 ( 2.890 -6.452 -3.969) 8.107 14.931 ( 2.890 -6.452 3.969) 8.107 15.273 ( 7.492 1.369 -1.572) 7.777 15.273 ( 7.492 1.369 1.572) 7.777 15.701 ( -0.954 4.864 -2.299) 5.464 15.701 ( -0.954 4.864 2.299) 5.464 15.807 ( -1.773 1.267 -4.075) 4.621 15.807 ( -1.773 1.267 4.075) 4.621 16.357 ( -2.954 0.664 -2.797) 4.123 16.357 ( -2.954 0.664 2.797) 4.123 16.440 ( -2.315 4.034 -2.423) 5.245 16.440 ( -2.315 4.034 2.423) 5.245 17.279 ( -4.525 2.514 -6.111) 8.009 17.279 ( -4.525 2.514 6.111) 8.009 18.016 ( 2.528 -1.505 -1.242) 3.194 18.016 ( 2.528 -1.505 1.242) 3.194 18.569 ( -1.172 -3.663 -4.625) 6.015 18.569 ( -1.172 -3.663 4.625) 6.015 19.629 ( 12.336 0.853 -9.220) 15.425 19.629 ( 12.336 0.853 9.220) 15.425 20.742 ( -11.931 1.053 -4.556) 12.814 20.742 ( -11.931 1.053 4.556) 12.814 21.238 ( 7.136 -5.017 -1.558) 8.861 21.238 ( 7.136 -5.017 1.558) 8.861 21.785 ( -1.206 0.485 -1.848) 2.259 21.785 ( -1.206 0.485 1.848) 2.259 ======================= Grid point 269 (85/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 19.808 6.176 -10.248) 23.142 3.053 ( 19.808 6.176 10.248) 23.142 3.319 ( 5.598 12.526 -13.660) 19.361 3.319 ( 5.598 12.526 13.660) 19.361 3.497 ( -15.119 6.467 -5.358) 17.294 3.497 ( -15.119 6.467 5.358) 17.294 3.650 ( -9.446 12.853 -10.606) 19.155 3.650 ( -9.446 12.853 10.606) 19.155 4.159 ( -3.626 5.636 -3.032) 7.356 4.159 ( -3.626 5.636 3.032) 7.356 5.334 ( 1.639 -3.864 -0.259) 4.205 5.334 ( 1.639 -3.864 0.259) 4.205 5.531 ( 1.953 -0.808 -1.604) 2.653 5.531 ( 1.953 -0.808 1.604) 2.653 5.899 ( 1.488 5.837 -2.270) 6.438 5.899 ( 1.488 5.837 2.270) 6.438 6.358 ( 5.280 -7.779 -5.222) 10.754 6.358 ( 5.280 -7.779 5.222) 10.754 6.639 ( 28.548 -3.897 -12.987) 31.605 6.639 ( 28.548 -3.897 12.987) 31.605 6.988 ( -5.833 -10.876 -4.409) 13.105 6.988 ( -5.833 -10.876 4.409) 13.105 7.283 ( 7.077 -2.392 -8.772) 11.522 7.283 ( 7.077 -2.392 8.772) 11.522 7.728 ( -11.494 1.785 -6.994) 13.572 7.728 ( -11.494 1.785 6.994) 13.572 7.980 ( -4.171 7.086 -6.121) 10.250 7.980 ( -4.171 7.086 6.121) 10.250 8.710 ( -5.048 4.144 -1.955) 6.817 8.710 ( -5.048 4.144 1.955) 6.817 9.010 ( -1.450 10.703 -2.099) 11.003 9.010 ( -1.450 10.703 2.099) 11.003 9.966 ( -0.407 -0.301 -1.885) 1.952 9.966 ( -0.407 -0.301 1.885) 1.952 10.060 ( 1.119 0.464 -7.297) 7.397 10.060 ( 1.119 0.464 7.297) 7.397 10.341 ( -2.270 3.231 -2.903) 4.901 10.341 ( -2.270 3.231 2.903) 4.901 10.896 ( -0.693 -0.442 -1.155) 1.417 10.896 ( -0.693 -0.442 1.155) 1.417 11.267 ( 3.991 -3.779 -6.626) 8.609 11.267 ( 3.991 -3.779 6.626) 8.609 11.373 ( 1.021 -1.429 -3.242) 3.687 11.373 ( 1.021 -1.429 3.242) 3.687 11.631 ( 4.328 3.398 -11.024) 12.321 11.631 ( 4.328 3.398 11.024) 12.321 11.907 ( -2.719 -2.943 -4.385) 5.940 11.907 ( -2.719 -2.943 4.385) 5.940 12.013 ( -5.243 4.248 -5.142) 8.484 12.013 ( -5.243 4.248 5.142) 8.484 12.686 ( -0.152 -3.209 -7.089) 7.783 12.686 ( -0.152 -3.209 7.089) 7.783 13.560 ( 0.473 10.580 -3.398) 11.123 13.560 ( 0.473 10.580 3.398) 11.123 14.105 ( 2.246 -1.079 -2.387) 3.451 14.105 ( 2.246 -1.079 2.387) 3.451 14.595 ( 2.502 0.282 -4.359) 5.034 14.595 ( 2.502 0.282 4.359) 5.034 14.948 ( -0.354 -6.359 -1.712) 6.595 14.948 ( -0.354 -6.359 1.712) 6.595 15.383 ( 3.438 1.695 -1.300) 4.048 15.383 ( 3.438 1.695 1.300) 4.048 15.685 ( -0.414 3.300 -1.935) 3.848 15.685 ( -0.414 3.300 1.935) 3.848 15.780 ( -1.083 2.564 -1.674) 3.248 15.780 ( -1.083 2.564 1.674) 3.248 16.313 ( -1.282 0.876 -1.834) 2.403 16.313 ( -1.282 0.876 1.834) 2.403 16.410 ( -0.828 4.733 -3.877) 6.174 16.410 ( -0.828 4.733 3.877) 6.174 17.222 ( -1.496 0.673 -3.277) 3.664 17.222 ( -1.496 0.673 3.277) 3.664 18.056 ( 1.324 -1.956 -1.025) 2.574 18.056 ( 1.324 -1.956 1.025) 2.574 18.545 ( -0.945 -3.982 -2.599) 4.848 18.545 ( -0.945 -3.982 2.599) 4.848 19.846 ( 8.414 0.387 -4.754) 9.671 19.846 ( 8.414 0.387 4.754) 9.671 20.523 ( -8.546 3.520 -4.990) 10.503 20.523 ( -8.546 3.520 4.990) 10.503 21.345 ( 3.257 -6.064 -0.895) 6.941 21.345 ( 3.257 -6.064 0.895) 6.941 21.766 ( -0.624 -0.087 -1.243) 1.394 21.766 ( -0.624 -0.087 1.243) 1.394 ======================= Grid point 279 (86/100) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.000 8.879 -31.122) 32.364 2.491 ( 0.000 8.879 31.122) 32.364 2.658 ( 0.000 8.448 -29.057) 30.261 2.658 ( 0.000 8.448 29.057) 30.261 3.966 ( 0.000 -4.639 -3.828) 6.015 3.966 ( 0.000 -4.639 3.828) 6.015 4.189 ( 0.000 -10.331 -8.683) 13.495 4.189 ( 0.000 -10.331 8.683) 13.495 4.483 ( 0.000 -5.405 -1.688) 5.662 4.483 ( 0.000 -5.405 1.688) 5.662 4.719 ( 0.000 31.434 -32.659) 45.329 4.719 ( 0.000 31.434 32.659) 45.329 5.422 ( 0.000 -2.116 -4.985) 5.415 5.422 ( 0.000 -2.116 4.985) 5.415 5.528 ( 0.000 1.974 -8.632) 8.855 5.528 ( 0.000 1.974 8.632) 8.855 5.563 ( 0.000 -1.382 -8.391) 8.504 5.563 ( 0.000 -1.382 8.391) 8.504 5.783 ( 0.000 5.742 -5.264) 7.790 5.783 ( 0.000 5.742 5.264) 7.790 6.335 ( 0.000 3.612 -6.414) 7.361 6.335 ( 0.000 3.612 6.414) 7.361 7.252 ( 0.000 3.371 -5.963) 6.850 7.252 ( 0.000 3.371 5.963) 6.850 8.132 ( 0.000 9.536 -8.798) 12.974 8.132 ( 0.000 9.536 8.798) 12.974 8.446 ( 0.000 -0.503 -2.965) 3.007 8.446 ( 0.000 -0.503 2.965) 3.007 9.162 ( 0.000 -6.597 -6.032) 8.939 9.162 ( 0.000 -6.597 6.032) 8.939 9.322 ( 0.000 7.493 -2.853) 8.018 9.322 ( 0.000 7.493 2.853) 8.018 9.515 ( 0.000 13.221 -8.041) 15.474 9.515 ( 0.000 13.221 8.041) 15.474 10.118 ( 0.000 3.529 -2.827) 4.521 10.118 ( 0.000 3.529 2.827) 4.521 10.459 ( 0.000 -0.686 -2.854) 2.935 10.459 ( 0.000 -0.686 2.854) 2.935 11.038 ( 0.000 2.000 -5.266) 5.634 11.038 ( 0.000 2.000 5.266) 5.634 11.041 ( 0.000 -4.238 -0.436) 4.260 11.041 ( 0.000 -4.238 0.436) 4.260 11.431 ( 0.000 -4.910 -1.132) 5.039 11.431 ( 0.000 -4.910 1.132) 5.039 11.913 ( 0.000 -2.640 -12.833) 13.102 11.913 ( 0.000 -2.640 12.833) 13.102 12.016 ( 0.000 6.872 -19.654) 20.821 12.016 ( 0.000 6.872 19.654) 20.821 12.096 ( 0.000 -0.786 -13.218) 13.242 12.096 ( 0.000 -0.786 13.218) 13.242 13.089 ( 0.000 0.459 -4.660) 4.683 13.089 ( 0.000 0.459 4.660) 4.683 13.537 ( 0.000 -9.508 -13.724) 16.696 13.537 ( 0.000 -9.508 13.724) 16.696 13.590 ( 0.000 -1.817 -8.187) 8.386 13.590 ( 0.000 -1.817 8.187) 8.386 14.048 ( 0.000 1.781 -6.069) 6.324 14.048 ( 0.000 1.781 6.069) 6.324 14.756 ( 0.000 -3.152 -3.295) 4.560 14.756 ( 0.000 -3.152 3.295) 4.560 14.963 ( 0.000 1.886 -3.449) 3.931 14.963 ( 0.000 1.886 3.449) 3.931 15.704 ( 0.000 2.250 -4.397) 4.939 15.704 ( 0.000 2.250 4.397) 4.939 16.009 ( 0.000 1.270 -4.332) 4.514 16.009 ( 0.000 1.270 4.332) 4.514 16.461 ( 0.000 2.247 -12.788) 12.984 16.461 ( 0.000 2.247 12.788) 12.984 16.650 ( 0.000 4.979 -12.371) 13.336 16.650 ( 0.000 4.979 12.371) 13.336 17.745 ( 0.000 9.886 -10.429) 14.370 17.745 ( 0.000 9.886 10.429) 14.370 17.958 ( 0.000 0.987 -1.193) 1.548 17.958 ( 0.000 0.987 1.193) 1.548 18.493 ( 0.000 -3.683 -7.124) 8.019 18.493 ( 0.000 -3.683 7.124) 8.019 19.249 ( 0.000 0.759 -13.587) 13.608 19.249 ( 0.000 0.759 13.587) 13.608 20.413 ( 0.000 -12.752 -7.670) 14.881 20.413 ( 0.000 -12.752 7.670) 14.881 21.403 ( 0.000 3.217 -4.496) 5.528 21.403 ( 0.000 3.217 4.496) 5.528 21.914 ( 0.000 3.407 -4.466) 5.618 21.914 ( 0.000 3.407 4.466) 5.618 ======================= Grid point 281 (87/100) ======================= q-point: ( 0.11 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -0.028 9.787 -29.411) 30.996 2.418 ( -0.028 9.787 29.411) 30.996 2.935 ( 20.024 10.800 -25.640) 34.278 2.935 ( 20.024 10.800 25.640) 34.278 3.959 ( -0.590 -3.831 -3.083) 4.953 3.959 ( -0.590 -3.831 3.083) 4.953 4.237 ( 1.684 -6.670 -6.439) 9.423 4.237 ( 1.684 -6.670 6.439) 9.423 4.472 ( 3.368 -0.972 -2.356) 4.224 4.472 ( 3.368 -0.972 2.356) 4.224 4.828 ( 7.948 21.902 -26.038) 34.941 4.828 ( 7.948 21.902 26.038) 34.941 5.356 ( -8.051 2.917 -8.666) 12.184 5.356 ( -8.051 2.917 8.666) 12.184 5.496 ( 5.397 -0.965 -1.884) 5.798 5.496 ( 5.397 -0.965 1.884) 5.798 5.632 ( 4.076 -1.974 -8.210) 9.376 5.632 ( 4.076 -1.974 8.210) 9.376 5.866 ( 6.314 5.340 -2.901) 8.763 5.866 ( 6.314 5.340 2.901) 8.763 6.401 ( 6.688 1.086 -5.909) 8.990 6.401 ( 6.688 1.086 5.909) 8.990 7.199 ( -4.891 1.544 -5.696) 7.665 7.199 ( -4.891 1.544 5.696) 7.665 8.157 ( 1.786 9.450 -10.060) 13.918 8.157 ( 1.786 9.450 10.060) 13.918 8.414 ( -3.065 0.670 -3.663) 4.822 8.414 ( -3.065 0.670 3.663) 4.822 9.102 ( -4.247 -3.761 -3.896) 6.882 9.102 ( -4.247 -3.761 3.896) 6.882 9.388 ( 2.087 12.802 -6.503) 14.510 9.388 ( 2.087 12.802 6.503) 14.510 9.599 ( 10.678 5.175 -2.895) 12.214 9.599 ( 10.678 5.175 2.895) 12.214 10.104 ( -1.515 2.632 -3.203) 4.413 10.104 ( -1.515 2.632 3.203) 4.413 10.424 ( -3.176 -0.614 -3.476) 4.748 10.424 ( -3.176 -0.614 3.476) 4.748 10.996 ( -2.465 -1.278 -1.557) 3.183 10.996 ( -2.465 -1.278 1.557) 3.183 11.060 ( 0.157 -0.368 -3.191) 3.216 11.060 ( 0.157 -0.368 3.191) 3.216 11.384 ( -4.369 -5.570 -0.719) 7.116 11.384 ( -4.369 -5.570 0.719) 7.116 11.887 ( -3.389 2.504 -14.198) 14.810 11.887 ( -3.389 2.504 14.198) 14.810 11.954 ( -2.586 0.743 -8.527) 8.942 11.954 ( -2.586 0.743 8.527) 8.942 12.174 ( 4.615 0.536 -16.770) 17.401 12.174 ( 4.615 0.536 16.770) 17.401 12.963 ( -10.246 1.320 -7.387) 12.700 12.963 ( -10.246 1.320 7.387) 12.700 13.517 ( 2.049 -3.265 -2.888) 4.816 13.517 ( 2.049 -3.265 2.888) 4.816 13.735 ( 8.383 -3.071 -3.714) 9.670 13.735 ( 8.383 -3.071 3.714) 9.670 14.157 ( 10.579 -1.671 -6.137) 12.344 14.157 ( 10.579 -1.671 6.137) 12.344 14.746 ( -0.411 -2.693 -1.880) 3.310 14.746 ( -0.411 -2.693 1.880) 3.310 15.018 ( 5.238 1.466 -2.743) 6.092 15.018 ( 5.238 1.466 2.743) 6.092 15.723 ( 1.922 2.441 -3.480) 4.666 15.723 ( 1.922 2.441 3.480) 4.666 15.979 ( -2.899 1.711 -4.943) 5.980 15.979 ( -2.899 1.711 4.943) 5.980 16.459 ( -0.343 2.217 -11.364) 11.584 16.459 ( -0.343 2.217 11.364) 11.584 16.624 ( -2.550 4.788 -11.236) 12.477 16.624 ( -2.550 4.788 11.236) 12.477 17.677 ( -6.863 9.337 -8.918) 14.623 17.677 ( -6.863 9.337 8.918) 14.623 17.954 ( -0.264 0.448 -1.979) 2.046 17.954 ( -0.264 0.448 1.979) 2.046 18.491 ( 0.035 -4.430 -6.941) 8.235 18.491 ( 0.035 -4.430 6.941) 8.235 19.304 ( 5.604 1.754 -13.222) 14.467 19.304 ( 5.604 1.754 13.222) 14.467 20.497 ( 8.160 -12.954 -6.835) 16.766 20.497 ( 8.160 -12.954 6.835) 16.766 21.352 ( -5.265 3.581 -4.276) 7.670 21.352 ( -5.265 3.581 4.276) 7.670 21.890 ( -2.303 2.869 -3.989) 5.426 21.890 ( -2.303 2.869 3.989) 5.426 ======================= Grid point 283 (88/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 11.886 11.297 -23.592) 28.731 2.535 ( 11.886 11.297 23.592) 28.731 3.288 ( 15.645 16.129 -21.729) 31.258 3.288 ( 15.645 16.129 21.729) 31.258 3.938 ( -1.959 0.774 -3.261) 3.883 3.938 ( -1.959 0.774 3.261) 3.883 4.196 ( -4.402 2.110 -1.245) 5.037 4.196 ( -4.402 2.110 1.245) 5.037 4.580 ( -0.078 1.940 -0.581) 2.026 4.580 ( -0.078 1.940 0.581) 2.026 4.930 ( 6.537 4.638 -11.066) 13.663 4.930 ( 6.537 4.638 11.066) 13.663 5.339 ( 6.259 3.127 -4.497) 8.317 5.339 ( 6.259 3.127 4.497) 8.317 5.663 ( 11.564 -1.636 -9.932) 15.332 5.663 ( 11.564 -1.636 9.932) 15.332 5.734 ( 8.274 -1.111 -8.200) 11.701 5.734 ( 8.274 -1.111 8.200) 11.701 6.002 ( 8.515 6.889 -0.971) 10.996 6.002 ( 8.515 6.889 0.971) 10.996 6.561 ( 9.396 -4.212 -5.238) 11.553 6.561 ( 9.396 -4.212 5.238) 11.553 7.102 ( -4.526 -2.345 -4.614) 6.875 7.102 ( -4.526 -2.345 4.614) 6.875 8.150 ( -3.712 5.415 -10.700) 12.554 8.150 ( -3.712 5.415 10.700) 12.554 8.349 ( -3.483 5.592 -2.904) 7.200 8.349 ( -3.483 5.592 2.904) 7.200 9.015 ( -5.179 -0.745 -2.818) 5.943 9.015 ( -5.179 -0.745 2.818) 5.943 9.372 ( -2.719 15.295 -7.173) 17.110 9.372 ( -2.719 15.295 7.173) 17.110 9.856 ( 12.861 1.519 -6.496) 14.489 9.856 ( 12.861 1.519 6.496) 14.489 10.060 ( -2.820 0.346 -3.689) 4.656 10.060 ( -2.820 0.346 3.689) 4.656 10.378 ( -0.295 -0.423 -5.657) 5.681 10.378 ( -0.295 -0.423 5.657) 5.681 10.946 ( -2.867 -1.669 -1.463) 3.626 10.946 ( -2.867 -1.669 1.463) 3.626 11.059 ( 0.596 1.877 -2.932) 3.532 11.059 ( 0.596 1.877 2.932) 3.532 11.296 ( -4.123 -7.206 -1.564) 8.449 11.296 ( -4.123 -7.206 1.564) 8.449 11.803 ( -4.689 6.591 -14.551) 16.648 11.803 ( -4.689 6.591 14.551) 16.648 11.922 ( -1.550 -3.362 -9.820) 10.495 11.922 ( -1.550 -3.362 9.820) 10.495 12.231 ( 1.113 1.553 -16.227) 16.339 12.231 ( 1.113 1.553 16.227) 16.339 12.783 ( -7.905 1.377 -9.985) 12.809 12.783 ( -7.905 1.377 9.985) 12.809 13.598 ( 5.841 3.135 -6.473) 9.266 13.598 ( 5.841 3.135 6.473) 9.266 13.876 ( 7.019 -1.349 -3.806) 8.097 13.876 ( 7.019 -1.349 3.806) 8.097 14.368 ( 9.805 -3.973 -2.816) 10.948 14.368 ( 9.805 -3.973 2.816) 10.948 14.761 ( 2.100 -3.376 -1.864) 4.391 14.761 ( 2.100 -3.376 1.864) 4.391 15.143 ( 7.658 1.103 -1.706) 7.923 15.143 ( 7.658 1.103 1.706) 7.923 15.770 ( 2.718 3.071 -2.165) 4.637 15.770 ( 2.718 3.071 2.165) 4.637 15.911 ( -3.832 3.001 -6.853) 8.405 15.911 ( -3.832 3.001 6.853) 8.405 16.441 ( -1.693 2.493 -6.878) 7.509 16.441 ( -1.693 2.493 6.878) 7.509 16.565 ( -3.225 4.218 -6.726) 8.569 16.565 ( -3.225 4.218 6.726) 8.569 17.512 ( -9.635 7.247 -7.058) 13.970 17.512 ( -9.635 7.247 7.058) 13.970 17.955 ( 0.569 -1.020 -2.732) 2.971 17.955 ( 0.569 -1.020 2.732) 2.971 18.492 ( -0.327 -5.425 -6.001) 8.096 18.492 ( -0.327 -5.425 6.001) 8.096 19.453 ( 9.935 3.194 -11.499) 15.528 19.453 ( 9.935 3.194 11.499) 15.528 20.671 ( 8.400 -11.949 -4.967) 15.427 20.671 ( 8.400 -11.949 4.967) 15.427 21.223 ( -7.269 3.595 -4.105) 9.089 21.223 ( -7.269 3.595 4.105) 9.089 21.839 ( -2.799 1.469 -3.346) 4.603 21.839 ( -2.799 1.469 3.346) 4.603 ======================= Grid point 285 (89/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 19.431 12.208 -15.738) 27.825 2.839 ( 19.431 12.208 15.738) 27.825 3.511 ( 8.305 17.736 -18.486) 26.931 3.511 ( 8.305 17.736 18.486) 26.931 3.870 ( -6.068 7.960 -6.542) 11.958 3.870 ( -6.068 7.960 6.542) 11.958 4.086 ( -7.456 9.299 -5.809) 13.260 4.086 ( -7.456 9.299 5.809) 13.260 4.425 ( -10.434 8.255 -4.468) 14.035 4.425 ( -10.434 8.255 4.468) 14.035 5.125 ( 9.493 -7.118 -1.358) 11.942 5.125 ( 9.493 -7.118 1.358) 11.942 5.454 ( 4.389 0.503 -1.315) 4.609 5.454 ( 4.389 0.503 1.315) 4.609 5.828 ( 7.723 -8.782 -7.621) 13.959 5.828 ( 7.723 -8.782 7.621) 13.959 6.068 ( 21.884 2.181 -12.075) 25.090 6.068 ( 21.884 2.181 12.075) 25.090 6.182 ( 10.847 7.401 -6.161) 14.505 6.182 ( 10.847 7.401 6.161) 14.505 6.733 ( 8.073 -8.536 -6.171) 13.271 6.733 ( 8.073 -8.536 6.171) 13.271 7.061 ( 1.353 -5.446 -3.515) 6.622 7.061 ( 1.353 -5.446 3.515) 6.622 8.007 ( -11.125 0.623 -7.550) 13.459 8.007 ( -11.125 0.623 7.550) 13.459 8.263 ( -6.389 8.735 -4.511) 11.725 8.263 ( -6.389 8.735 4.511) 11.725 8.908 ( -5.607 3.930 -3.803) 7.832 8.908 ( -5.607 3.930 3.803) 7.832 9.310 ( -3.321 14.739 -5.198) 15.978 9.310 ( -3.321 14.739 5.198) 15.978 9.972 ( -0.167 -0.244 -7.953) 7.959 9.972 ( -0.167 -0.244 7.953) 7.959 10.040 ( 1.224 0.315 -1.961) 2.333 10.040 ( 1.224 0.315 1.961) 2.333 10.418 ( 2.386 1.857 -6.845) 7.483 10.418 ( 2.386 1.857 6.845) 7.483 10.900 ( -1.378 -1.292 -3.429) 3.915 10.900 ( -1.378 -1.292 3.429) 3.915 11.112 ( 4.383 -0.306 -6.909) 8.188 11.112 ( 4.383 -0.306 6.909) 8.188 11.255 ( 0.957 -6.554 -4.698) 8.120 11.255 ( 0.957 -6.554 4.698) 8.120 11.723 ( -3.398 5.306 -10.576) 12.310 11.723 ( -3.398 5.306 10.576) 12.310 11.886 ( -2.228 -3.322 -7.432) 8.440 11.886 ( -2.228 -3.322 7.432) 8.440 12.209 ( -3.570 4.285 -13.640) 14.736 12.209 ( -3.570 4.285 13.640) 14.736 12.673 ( -3.787 -0.788 -11.557) 12.187 12.673 ( -3.787 -0.788 11.557) 12.187 13.714 ( 5.749 9.049 -6.367) 12.469 13.714 ( 5.749 9.049 6.367) 12.469 14.001 ( 5.808 -1.179 -3.692) 6.982 14.001 ( 5.808 -1.179 3.692) 6.982 14.511 ( 5.868 -1.859 -3.338) 7.002 14.511 ( 5.868 -1.859 3.338) 7.002 14.805 ( 1.694 -5.466 -3.394) 6.654 14.805 ( 1.694 -5.466 3.394) 6.654 15.292 ( 7.486 0.666 -0.923) 7.572 15.292 ( 7.486 0.666 0.923) 7.572 15.797 ( -0.917 3.574 -3.359) 4.990 15.797 ( -0.917 3.574 3.359) 4.990 15.863 ( -0.394 5.285 -7.306) 9.026 15.863 ( -0.394 5.285 7.306) 9.026 16.392 ( -3.174 2.695 -4.336) 6.011 16.392 ( -3.174 2.695 4.336) 6.011 16.522 ( -1.041 4.444 -2.044) 5.001 16.522 ( -1.041 4.444 2.044) 5.001 17.341 ( -7.855 3.647 -5.522) 10.271 17.341 ( -7.855 3.647 5.522) 10.271 17.977 ( 1.617 -2.360 -2.759) 3.974 17.977 ( 1.617 -2.360 2.759) 3.974 18.471 ( -1.801 -6.273 -4.572) 7.968 18.471 ( -1.801 -6.273 4.572) 7.968 19.669 ( 12.352 3.707 -8.290) 15.331 19.669 ( 12.352 3.707 8.290) 15.331 20.724 ( -4.285 -4.167 -2.682) 6.551 20.724 ( -4.285 -4.167 2.682) 6.551 21.153 ( 1.295 -2.281 -2.151) 3.392 21.153 ( 1.295 -2.281 2.151) 3.392 21.789 ( -2.387 -0.123 -2.834) 3.707 21.789 ( -2.387 -0.123 2.834) 3.707 ======================= Grid point 287 (90/100) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 21.370 12.378 -8.565) 26.139 3.236 ( 21.370 12.378 8.565) 26.139 3.603 ( -2.536 14.729 -12.417) 19.431 3.603 ( -2.536 14.729 12.417) 19.431 3.662 ( -11.887 11.344 -7.998) 18.274 3.662 ( -11.887 11.344 7.998) 18.274 3.965 ( -3.428 17.907 -12.120) 21.893 3.965 ( -3.428 17.907 12.120) 21.893 4.298 ( -2.965 8.041 -4.703) 9.776 4.298 ( -2.965 8.041 4.703) 9.776 5.231 ( 2.240 -6.464 -1.670) 7.042 5.231 ( 2.240 -6.464 1.670) 7.042 5.504 ( 1.202 -1.961 -2.142) 3.143 5.504 ( 1.202 -1.961 2.142) 3.143 5.957 ( 4.551 -6.113 -4.673) 8.939 5.957 ( 4.551 -6.113 4.673) 8.939 6.250 ( 2.287 3.630 -10.286) 11.144 6.250 ( 2.287 3.630 10.286) 11.144 6.522 ( 15.452 -9.292 -8.791) 20.059 6.522 ( 15.452 -9.292 8.791) 20.059 6.818 ( 0.439 -5.660 -4.589) 7.300 6.818 ( 0.439 -5.660 4.589) 7.300 7.191 ( 10.615 -5.485 -5.181) 13.023 7.191 ( 10.615 -5.485 5.181) 13.023 7.752 ( -13.446 0.715 -3.966) 14.037 7.752 ( -13.446 0.715 3.966) 14.037 8.129 ( -5.467 6.898 -6.960) 11.222 8.129 ( -5.467 6.898 6.960) 11.222 8.832 ( -2.009 8.358 -2.862) 9.059 8.832 ( -2.009 8.358 2.862) 9.059 9.262 ( -1.426 14.237 -2.088) 14.460 9.262 ( -1.426 14.237 2.088) 14.460 9.968 ( 0.216 0.351 -1.634) 1.685 9.968 ( 0.216 0.351 1.634) 1.685 10.049 ( -0.126 -1.623 -8.712) 8.863 10.049 ( -0.126 -1.623 8.712) 8.863 10.423 ( -0.881 5.039 -4.281) 6.670 10.423 ( -0.881 5.039 4.281) 6.670 10.894 ( 0.213 0.252 -2.502) 2.524 10.894 ( 0.213 0.252 2.502) 2.524 11.151 ( 0.209 -7.514 -7.488) 10.610 11.151 ( 0.209 -7.514 7.488) 10.610 11.345 ( 5.020 -1.575 -1.506) 5.472 11.345 ( 5.020 -1.575 1.506) 5.472 11.698 ( 0.870 1.721 -7.780) 8.016 11.698 ( 0.870 1.721 7.780) 8.016 11.844 ( -1.914 -2.169 -5.864) 6.539 11.844 ( -1.914 -2.169 5.864) 6.539 12.118 ( -4.345 6.320 -6.641) 10.145 12.118 ( -4.345 6.320 6.641) 10.145 12.633 ( -0.807 -1.982 -9.900) 10.129 12.633 ( -0.807 -1.982 9.900) 10.129 13.794 ( 2.335 12.493 -5.414) 13.814 13.794 ( 2.335 12.493 5.414) 13.814 14.079 ( 2.142 -1.470 -2.986) 3.958 14.079 ( 2.142 -1.470 2.986) 3.958 14.605 ( 3.571 0.536 -7.062) 7.932 14.605 ( 3.571 0.536 7.062) 7.932 14.809 ( -0.822 -7.148 -2.105) 7.497 14.809 ( -0.822 -7.148 2.105) 7.497 15.400 ( 3.237 -0.021 -0.921) 3.366 15.400 ( 3.237 -0.021 0.921) 3.366 15.768 ( -1.024 5.049 -3.718) 6.353 15.768 ( -1.024 5.049 3.718) 6.353 15.867 ( 0.100 6.305 -2.653) 6.841 15.867 ( 0.100 6.305 2.653) 6.841 16.343 ( -1.538 1.798 -3.715) 4.405 16.343 ( -1.538 1.798 3.715) 4.405 16.518 ( 0.210 6.459 -3.778) 7.485 16.518 ( 0.210 6.459 3.778) 7.485 17.233 ( -3.121 0.281 -3.702) 4.850 17.233 ( -3.121 0.281 3.702) 4.850 18.006 ( 1.055 -2.994 -2.450) 4.010 18.006 ( 1.055 -2.994 2.450) 4.010 18.437 ( -1.253 -6.940 -3.841) 8.030 18.437 ( -1.253 -6.940 3.841) 8.030 19.877 ( 7.628 3.264 -4.233) 9.314 19.877 ( 7.628 3.264 4.233) 9.314 20.589 ( -6.392 2.145 -5.493) 8.697 20.589 ( -6.392 2.145 5.493) 8.697 21.211 ( 2.609 -6.604 -0.560) 7.122 21.211 ( 2.609 -6.604 0.560) 7.122 21.754 ( -1.108 -1.224 -2.064) 2.643 21.754 ( -1.108 -1.224 2.064) 2.643 ======================= Grid point 297 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 0.000 13.447 -22.740) 26.418 2.712 ( 0.000 13.447 22.740) 26.418 2.848 ( 0.000 10.821 -22.994) 25.413 2.848 ( 0.000 10.821 22.994) 25.413 3.802 ( 0.000 -11.483 -3.886) 12.122 3.802 ( 0.000 -11.483 3.886) 12.122 3.963 ( 0.000 -12.628 -9.666) 15.903 3.963 ( 0.000 -12.628 9.666) 15.903 4.386 ( 0.000 -4.213 -1.922) 4.631 4.386 ( 0.000 -4.213 1.922) 4.631 5.275 ( 0.000 20.994 -18.037) 27.679 5.275 ( 0.000 20.994 18.037) 27.679 5.368 ( 0.000 -2.748 -2.868) 3.972 5.368 ( 0.000 -2.748 2.868) 3.972 5.553 ( 0.000 1.290 -5.288) 5.443 5.553 ( 0.000 1.290 5.288) 5.443 5.581 ( 0.000 2.726 -5.684) 6.303 5.581 ( 0.000 2.726 5.684) 6.303 5.919 ( 0.000 11.139 -6.106) 12.703 5.919 ( 0.000 11.139 6.106) 12.703 6.473 ( 0.000 9.757 -9.101) 13.343 6.473 ( 0.000 9.757 9.101) 13.343 7.219 ( 0.000 -7.655 -3.256) 8.319 7.219 ( 0.000 -7.655 3.256) 8.319 8.314 ( 0.000 8.609 -11.434) 14.312 8.314 ( 0.000 8.609 11.434) 14.312 8.440 ( 0.000 -0.129 -4.944) 4.946 8.440 ( 0.000 -0.129 4.944) 4.946 9.075 ( 0.000 -2.249 -6.512) 6.889 9.075 ( 0.000 -2.249 6.512) 6.889 9.423 ( 0.000 3.902 -0.458) 3.929 9.423 ( 0.000 3.902 0.458) 3.929 9.813 ( 0.000 15.517 -12.746) 20.081 9.813 ( 0.000 15.517 12.746) 20.081 10.142 ( 0.000 -0.497 -3.729) 3.762 10.142 ( 0.000 -0.497 3.729) 3.762 10.437 ( 0.000 -1.588 -4.476) 4.749 10.437 ( 0.000 -1.588 4.476) 4.749 10.942 ( 0.000 -5.700 -3.241) 6.557 10.942 ( 0.000 -5.700 3.241) 6.557 11.078 ( 0.000 1.411 -5.751) 5.921 11.078 ( 0.000 1.411 5.751) 5.921 11.338 ( 0.000 -3.695 -1.714) 4.073 11.338 ( 0.000 -3.695 1.714) 4.073 11.859 ( 0.000 -2.808 -11.316) 11.659 11.859 ( 0.000 -2.808 11.316) 11.659 12.090 ( 0.000 0.214 -15.932) 15.934 12.090 ( 0.000 0.214 15.932) 15.934 12.173 ( 0.000 8.716 -18.972) 20.879 12.173 ( 0.000 8.716 18.972) 20.879 13.093 ( 0.000 -0.048 -4.537) 4.537 13.093 ( 0.000 -0.048 4.537) 4.537 13.348 ( 0.000 -9.262 -12.287) 15.386 13.348 ( 0.000 -9.262 12.287) 15.386 13.557 ( 0.000 -1.474 -9.814) 9.924 13.557 ( 0.000 -1.474 9.814) 9.924 14.077 ( 0.000 0.818 -5.152) 5.216 14.077 ( 0.000 0.818 5.152) 5.216 14.694 ( 0.000 -2.968 -3.045) 4.252 14.694 ( 0.000 -2.968 3.045) 4.252 15.032 ( 0.000 4.941 -1.359) 5.125 15.032 ( 0.000 4.941 1.359) 5.125 15.730 ( 0.000 0.218 -5.206) 5.211 15.730 ( 0.000 0.218 5.206) 5.211 16.014 ( 0.000 -0.322 -1.721) 1.751 16.014 ( 0.000 -0.322 1.721) 1.751 16.503 ( 0.000 1.974 -10.698) 10.879 16.503 ( 0.000 1.974 10.698) 10.879 16.750 ( 0.000 4.845 -12.130) 13.062 16.750 ( 0.000 4.845 12.130) 13.062 17.922 ( 0.000 7.757 -11.142) 13.577 17.922 ( 0.000 7.757 11.142) 13.577 17.982 ( 0.000 1.422 -2.153) 2.580 17.982 ( 0.000 1.422 2.153) 2.580 18.418 ( 0.000 -3.820 -6.453) 7.499 18.418 ( 0.000 -3.820 6.453) 7.499 19.309 ( 0.000 5.687 -12.016) 13.294 19.309 ( 0.000 5.687 12.016) 13.294 20.152 ( 0.000 -13.935 -9.769) 17.018 20.152 ( 0.000 -13.935 9.769) 17.018 21.455 ( 0.000 2.100 -2.855) 3.544 21.455 ( 0.000 2.100 2.855) 3.544 21.971 ( 0.000 2.373 -5.887) 6.348 21.971 ( 0.000 2.373 5.887) 6.348 ======================= Grid point 299 (92/100) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 2.273 16.114 -20.520) 26.190 2.676 ( 2.273 16.114 20.520) 26.190 3.128 ( 21.651 9.128 -21.298) 31.713 3.128 ( 21.651 9.128 21.298) 31.713 3.820 ( 2.333 -10.102 -4.155) 11.170 3.820 ( 2.333 -10.102 4.155) 11.170 4.056 ( 8.294 -11.148 -8.321) 16.196 4.056 ( 8.294 -11.148 8.321) 16.196 4.424 ( 4.312 -2.768 -1.265) 5.278 4.424 ( 4.312 -2.768 1.265) 5.278 5.212 ( -5.762 12.177 -10.645) 17.170 5.212 ( -5.762 12.177 10.645) 17.170 5.433 ( -4.860 4.234 -3.309) 7.246 5.433 ( -4.860 4.234 3.309) 7.246 5.478 ( 6.886 -0.293 -4.726) 8.357 5.478 ( 6.886 -0.293 4.726) 8.357 5.655 ( 4.848 4.674 -4.137) 7.904 5.655 ( 4.848 4.674 4.137) 7.904 5.979 ( 5.505 8.864 -5.380) 11.740 5.979 ( 5.505 8.864 5.380) 11.740 6.500 ( 2.779 8.461 -10.118) 13.480 6.500 ( 2.779 8.461 10.118) 13.480 7.155 ( -5.996 -6.925 -3.229) 9.712 7.155 ( -5.996 -6.925 3.229) 9.712 8.299 ( -2.999 4.305 -8.060) 9.617 8.299 ( -2.999 4.305 8.060) 9.617 8.446 ( 1.227 2.896 -1.985) 3.719 8.446 ( 1.227 2.896 1.985) 3.719 9.059 ( -1.113 -0.374 -6.330) 6.438 9.059 ( -1.113 -0.374 6.330) 6.438 9.545 ( 10.723 4.248 -1.062) 11.582 9.545 ( 10.723 4.248 1.062) 11.582 9.802 ( -0.413 13.626 -10.408) 17.151 9.802 ( -0.413 13.626 10.408) 17.151 10.120 ( -2.356 -0.482 -4.272) 4.902 10.120 ( -2.356 -0.482 4.272) 4.902 10.400 ( -3.391 -1.878 -5.192) 6.480 10.400 ( -3.391 -1.878 5.192) 6.480 10.927 ( -1.492 -4.955 -3.924) 6.495 10.927 ( -1.492 -4.955 3.924) 6.495 11.076 ( -0.108 0.413 -6.423) 6.438 11.076 ( -0.108 0.413 6.423) 6.438 11.292 ( -4.493 -2.856 -1.832) 5.630 11.292 ( -4.493 -2.856 1.832) 5.630 11.858 ( -0.499 -3.108 -9.274) 9.793 11.858 ( -0.499 -3.108 9.274) 9.793 12.040 ( -4.302 5.160 -14.444) 15.930 12.040 ( -4.302 5.160 14.444) 15.930 12.203 ( 2.610 2.729 -18.067) 18.457 12.203 ( 2.610 2.729 18.067) 18.457 12.980 ( -9.315 0.372 -5.792) 10.975 12.980 ( -9.315 0.372 5.792) 10.975 13.426 ( 8.328 -5.482 -1.347) 10.061 13.426 ( 8.328 -5.482 1.347) 10.061 13.689 ( 10.238 -1.405 -2.797) 10.706 13.689 ( 10.238 -1.405 2.797) 10.706 14.135 ( 6.030 -1.048 -5.671) 8.344 14.135 ( 6.030 -1.048 5.671) 8.344 14.699 ( 0.667 -2.084 -2.015) 2.974 14.699 ( 0.667 -2.084 2.015) 2.974 15.074 ( 4.209 4.174 -0.697) 5.968 15.074 ( 4.209 4.174 0.697) 5.968 15.749 ( 2.010 0.116 -4.461) 4.894 15.749 ( 2.010 0.116 4.461) 4.894 15.999 ( -1.417 0.588 -2.054) 2.564 15.999 ( -1.417 0.588 2.054) 2.564 16.501 ( -0.298 1.966 -9.743) 9.944 16.501 ( -0.298 1.966 9.743) 9.944 16.721 ( -2.973 4.671 -11.400) 12.674 16.721 ( -2.973 4.671 11.400) 12.674 17.846 ( -7.711 7.563 -8.316) 13.631 17.846 ( -7.711 7.563 8.316) 13.631 17.967 ( -1.670 0.888 -4.191) 4.598 17.967 ( -1.670 0.888 4.191) 4.598 18.400 ( -1.154 -4.744 -6.001) 7.736 18.400 ( -1.154 -4.744 6.001) 7.736 19.383 ( 7.123 6.544 -11.506) 15.032 19.383 ( 7.123 6.544 11.506) 15.032 20.234 ( 8.063 -14.076 -8.322) 18.231 20.234 ( 8.063 -14.076 8.322) 18.231 21.411 ( -4.623 2.401 -2.876) 5.950 21.411 ( -4.623 2.401 2.876) 5.950 21.938 ( -3.227 2.036 -5.531) 6.719 21.938 ( -3.227 2.036 5.531) 6.719 ======================= Grid point 301 (93/100) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 12.671 17.569 -15.887) 26.863 2.822 ( 12.671 17.569 15.887) 26.863 3.527 ( 17.437 8.298 -16.851) 25.629 3.527 ( 17.437 8.298 16.851) 25.629 3.909 ( 7.317 -3.355 -6.187) 10.153 3.909 ( 7.317 -3.355 6.187) 10.153 4.198 ( 5.252 -3.403 -2.672) 6.804 4.198 ( 5.252 -3.403 2.672) 6.804 4.552 ( 7.501 -2.558 -3.232) 8.558 4.552 ( 7.501 -2.558 3.232) 8.558 5.044 ( -9.739 5.888 -4.148) 12.113 5.044 ( -9.739 5.888 4.148) 12.113 5.410 ( 2.244 2.528 -1.568) 3.726 5.410 ( 2.244 2.528 1.568) 3.726 5.581 ( 3.399 -2.232 -6.069) 7.305 5.581 ( 3.399 -2.232 6.069) 7.305 5.818 ( 12.255 3.760 -5.771) 14.058 5.818 ( 12.255 3.760 5.771) 14.058 6.117 ( 9.351 6.740 -5.323) 12.697 6.117 ( 9.351 6.740 5.323) 12.697 6.576 ( 5.145 6.014 -13.330) 15.502 6.576 ( 5.145 6.014 13.330) 15.502 7.030 ( -6.085 -5.547 -2.610) 8.638 7.030 ( -6.085 -5.547 2.610) 8.638 8.186 ( -8.592 -0.516 -3.791) 9.405 8.186 ( -8.592 -0.516 3.791) 9.405 8.461 ( -0.930 4.466 -4.261) 6.242 8.461 ( -0.930 4.466 4.261) 6.242 9.042 ( -0.798 3.550 -7.220) 8.086 9.042 ( -0.798 3.550 7.220) 8.086 9.653 ( -1.694 12.386 -7.256) 14.454 9.653 ( -1.694 12.386 7.256) 14.454 9.896 ( 9.501 2.914 -6.205) 11.716 9.896 ( 9.501 2.914 6.205) 11.716 10.060 ( -3.172 -0.318 -3.717) 4.897 10.060 ( -3.172 -0.318 3.717) 4.897 10.353 ( 0.297 -2.090 -7.519) 7.810 10.353 ( 0.297 -2.090 7.519) 7.810 10.892 ( -2.070 -3.724 -4.387) 6.115 10.892 ( -2.070 -3.724 4.387) 6.115 11.083 ( 0.966 -1.653 -7.007) 7.263 11.083 ( 0.966 -1.653 7.007) 7.263 11.193 ( -4.980 -0.961 -2.434) 5.625 11.193 ( -4.980 -0.961 2.434) 5.625 11.823 ( -3.545 -4.063 -4.484) 7.013 11.823 ( -3.545 -4.063 4.484) 7.013 11.954 ( -4.201 5.886 -13.135) 14.994 11.954 ( -4.201 5.886 13.135) 14.994 12.260 ( 2.958 1.401 -16.544) 16.865 12.260 ( 2.958 1.401 16.544) 16.865 12.803 ( -8.760 0.586 -8.844) 12.461 12.803 ( -8.760 0.586 8.844) 12.461 13.630 ( 12.136 0.036 -4.707) 13.017 13.630 ( 12.136 0.036 4.707) 13.017 13.871 ( 8.500 1.037 -3.251) 9.159 13.871 ( 8.500 1.037 3.251) 9.159 14.282 ( 8.578 -4.743 -5.475) 11.227 14.282 ( 8.578 -4.743 5.475) 11.227 14.725 ( 1.943 -0.574 -2.095) 2.914 14.725 ( 1.943 -0.574 2.095) 2.914 15.178 ( 6.442 2.469 -0.058) 6.899 15.178 ( 6.442 2.469 0.058) 6.899 15.800 ( 3.046 0.191 -3.056) 4.320 15.800 ( 3.046 0.191 3.056) 4.320 15.972 ( -1.066 2.942 -3.806) 4.928 15.972 ( -1.066 2.942 3.806) 4.928 16.492 ( -0.682 2.598 -6.602) 7.128 16.492 ( -0.682 2.598 6.602) 7.128 16.647 ( -4.295 3.858 -8.708) 10.448 16.647 ( -4.295 3.858 8.708) 10.448 17.646 ( -12.537 6.104 -5.354) 14.937 17.646 ( -12.537 6.104 5.354) 14.937 17.938 ( -1.004 -0.706 -4.460) 4.626 17.938 ( -1.004 -0.706 4.460) 4.626 18.381 ( -1.227 -5.628 -4.781) 7.486 18.381 ( -1.227 -5.628 4.781) 7.486 19.555 ( 10.716 7.382 -9.765) 16.268 19.555 ( 10.716 7.382 9.765) 16.268 20.422 ( 10.505 -13.480 -5.562) 17.972 20.422 ( 10.505 -13.480 5.562) 17.972 21.290 ( -7.547 3.090 -3.640) 8.931 21.290 ( -7.547 3.090 3.640) 8.931 21.862 ( -4.435 0.915 -4.851) 6.637 21.862 ( -4.435 0.915 4.851) 6.637 ======================= Grid point 303 (94/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 18.970 16.951 -10.858) 27.660 3.129 ( 18.970 16.951 10.858) 27.660 3.743 ( 6.571 5.634 -12.033) 14.823 3.743 ( 6.571 5.634 12.033) 14.823 4.047 ( 3.860 9.189 -6.079) 11.674 4.047 ( 3.860 9.189 6.079) 11.674 4.251 ( 0.988 7.871 -5.193) 9.482 4.251 ( 0.988 7.871 5.193) 9.482 4.550 ( -7.899 3.171 -1.034) 8.574 4.550 ( -7.899 3.171 1.034) 8.574 5.001 ( 5.473 -4.837 -5.372) 9.067 5.001 ( 5.473 -4.837 5.372) 9.067 5.453 ( 1.120 -1.190 -0.695) 1.775 5.453 ( 1.120 -1.190 0.695) 1.775 5.658 ( 5.376 -5.148 -4.235) 8.563 5.658 ( 5.376 -5.148 4.235) 8.563 6.071 ( 13.174 -5.450 -6.054) 15.489 6.071 ( 13.174 -5.450 6.054) 15.489 6.319 ( 10.596 6.591 -5.249) 13.538 6.319 ( 10.596 6.591 5.249) 13.538 6.685 ( 5.989 4.633 -16.086) 17.779 6.685 ( 5.989 4.633 16.086) 17.779 6.971 ( 1.487 -3.895 -0.456) 4.194 6.971 ( 1.487 -3.895 0.456) 4.194 7.986 ( -12.120 -2.156 -3.813) 12.887 7.986 ( -12.120 -2.156 3.813) 12.887 8.381 ( -7.593 3.385 -6.204) 10.374 8.381 ( -7.593 3.385 6.204) 10.374 9.024 ( -1.070 7.396 -7.208) 10.383 9.024 ( -1.070 7.396 7.208) 10.383 9.581 ( -4.310 12.460 -5.096) 14.135 9.581 ( -4.310 12.460 5.096) 14.135 9.961 ( -0.581 -0.980 -9.656) 9.723 9.961 ( -0.581 -0.980 9.656) 9.723 10.039 ( -0.853 -0.525 -1.550) 1.846 10.039 ( -0.853 -0.525 1.550) 1.846 10.450 ( 7.293 1.309 -7.741) 10.716 10.450 ( 7.293 1.309 7.741) 10.716 10.865 ( -0.193 -2.227 -5.215) 5.673 10.865 ( -0.193 -2.227 5.215) 5.673 11.069 ( -2.874 -4.454 -6.374) 8.290 11.069 ( -2.874 -4.454 6.374) 8.290 11.182 ( 4.973 -0.113 -2.326) 5.491 11.182 ( 4.973 -0.113 2.326) 5.491 11.733 ( -5.228 -3.823 -1.296) 6.605 11.733 ( -5.228 -3.823 1.296) 6.605 11.893 ( -2.361 3.540 -10.541) 11.367 11.893 ( -2.361 3.540 10.541) 11.367 12.289 ( -0.661 3.799 -15.482) 15.955 12.289 ( -0.661 3.799 15.482) 15.955 12.664 ( -5.366 -0.208 -11.529) 12.719 12.664 ( -5.366 -0.208 11.529) 12.719 13.850 ( 10.345 3.898 -4.197) 11.825 13.850 ( 10.345 3.898 4.197) 11.825 14.005 ( 5.415 2.638 -3.736) 7.088 14.005 ( 5.415 2.638 3.736) 7.088 14.436 ( 7.518 -5.967 -4.582) 10.636 14.436 ( 7.518 -5.967 4.582) 10.636 14.755 ( 0.654 0.238 -3.530) 3.598 14.755 ( 0.654 0.238 3.530) 3.598 15.304 ( 6.268 0.581 -0.529) 6.317 15.304 ( 6.268 0.581 0.529) 6.317 15.845 ( 1.492 1.925 -3.955) 4.645 15.845 ( 1.492 1.925 3.955) 4.645 15.975 ( 1.329 5.180 -7.247) 9.006 15.975 ( 1.329 5.180 7.247) 9.006 16.452 ( -4.201 3.292 -5.286) 7.512 16.452 ( -4.201 3.292 5.286) 7.512 16.603 ( 0.832 3.591 -3.015) 4.762 16.603 ( 0.832 3.591 3.015) 4.762 17.406 ( -12.057 2.747 -3.511) 12.854 17.406 ( -12.057 2.747 3.511) 12.854 17.935 ( 0.689 -1.712 -4.364) 4.738 17.935 ( 0.689 -1.712 4.364) 4.738 18.343 ( -2.757 -6.545 -3.878) 8.092 18.343 ( -2.757 -6.545 3.878) 8.092 19.777 ( 12.197 7.331 -6.748) 15.749 19.777 ( 12.197 7.331 6.748) 15.749 20.573 ( 3.921 -10.491 -2.782) 11.540 20.573 ( 3.921 -10.491 2.782) 11.540 21.163 ( -4.575 2.382 -4.354) 6.751 21.163 ( -4.575 2.382 4.354) 6.751 21.781 ( -4.000 -0.691 -3.985) 5.688 21.781 ( -4.000 -0.691 3.985) 5.688 ======================= Grid point 305 (95/100) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 18.800 14.389 -6.858) 24.648 3.503 ( 18.800 14.389 6.858) 24.648 3.810 ( -0.308 8.250 -7.851) 11.393 3.810 ( -0.308 8.250 7.851) 11.393 3.952 ( -11.086 15.752 -1.660) 19.333 3.952 ( -11.086 15.752 1.660) 19.333 4.271 ( 1.073 12.628 -7.338) 14.644 4.271 ( 1.073 12.628 7.338) 14.644 4.433 ( -2.681 4.962 -0.810) 5.698 4.433 ( -2.681 4.962 0.810) 5.698 5.100 ( 3.026 -7.391 -6.286) 10.164 5.100 ( 3.026 -7.391 6.286) 10.164 5.456 ( -0.277 -2.442 -0.367) 2.485 5.456 ( -0.277 -2.442 0.367) 2.485 5.756 ( 3.581 -8.872 -1.545) 9.692 5.756 ( 3.581 -8.872 1.545) 9.692 6.260 ( 5.630 -15.971 -6.510) 18.143 6.260 ( 5.630 -15.971 6.510) 18.143 6.448 ( 2.488 11.031 -4.386) 12.128 6.448 ( 2.488 11.031 4.386) 12.128 6.786 ( 3.899 1.626 -9.127) 10.058 6.786 ( 3.899 1.626 9.127) 10.058 7.103 ( 9.186 -3.488 -4.602) 10.850 7.103 ( 9.186 -3.488 4.602) 10.850 7.758 ( -9.928 -0.028 -2.459) 10.228 7.758 ( -9.928 -0.028 2.459) 10.228 8.222 ( -6.558 2.881 -5.313) 8.918 8.222 ( -6.558 2.881 5.313) 8.918 9.008 ( -0.463 8.966 -3.125) 9.506 9.008 ( -0.463 8.966 3.125) 9.506 9.521 ( -1.700 11.997 -2.372) 12.347 9.521 ( -1.700 11.997 2.372) 12.347 9.964 ( 0.899 -1.227 -5.482) 5.689 9.964 ( 0.899 -1.227 5.482) 5.689 10.007 ( -1.769 -2.434 -4.205) 5.171 10.007 ( -1.769 -2.434 4.205) 5.171 10.526 ( 1.051 5.388 -6.961) 8.865 10.526 ( 1.051 5.388 6.961) 8.865 10.880 ( 0.920 -2.926 -6.045) 6.779 10.880 ( 0.920 -2.926 6.045) 6.779 11.030 ( -0.942 -3.149 -6.610) 7.382 11.030 ( -0.942 -3.149 6.610) 7.382 11.308 ( 5.782 -2.228 -1.057) 6.286 11.308 ( 5.782 -2.228 1.057) 6.286 11.650 ( -2.898 -4.974 -3.066) 6.522 11.650 ( -2.898 -4.974 3.066) 6.522 11.863 ( -0.798 2.543 -5.653) 6.249 11.863 ( -0.798 2.543 5.653) 6.249 12.242 ( -2.783 6.103 -8.071) 10.495 12.242 ( -2.783 6.103 8.071) 10.495 12.608 ( -1.030 -0.790 -9.629) 9.716 12.608 ( -1.030 -0.790 9.629) 9.716 14.000 ( 5.077 6.856 -4.653) 9.717 14.000 ( 5.077 6.856 4.653) 9.717 14.064 ( 0.717 1.823 -0.722) 2.088 14.064 ( 0.717 1.823 0.722) 2.088 14.559 ( 4.681 -6.638 -6.113) 10.166 14.559 ( 4.681 -6.638 6.113) 10.166 14.741 ( -1.593 1.242 -3.039) 3.649 14.741 ( -1.593 1.242 3.039) 3.649 15.390 ( 2.414 -0.750 -0.709) 2.626 15.390 ( 2.414 -0.750 0.709) 2.626 15.870 ( 1.166 5.208 -4.775) 7.161 15.870 ( 1.166 5.208 4.775) 7.161 15.998 ( 0.659 6.546 -5.787) 8.762 15.998 ( 0.659 6.546 5.787) 8.762 16.369 ( -3.086 0.757 -5.318) 6.195 16.369 ( -3.086 0.757 5.318) 6.195 16.653 ( 2.768 7.187 -2.728) 8.170 16.653 ( 2.768 7.187 2.728) 8.170 17.223 ( -6.025 -1.512 -2.326) 6.633 17.223 ( -6.025 -1.512 2.326) 6.633 17.954 ( 0.887 -2.010 -4.026) 4.587 17.954 ( 0.887 -2.010 4.026) 4.587 18.293 ( -1.817 -7.493 -4.243) 8.801 18.293 ( -1.817 -7.493 4.243) 8.801 19.978 ( 7.255 7.148 -3.055) 10.633 19.978 ( 7.255 7.148 3.055) 10.633 20.561 ( -2.982 -5.517 -2.321) 6.687 20.561 ( -2.982 -5.517 2.321) 6.687 21.135 ( 0.503 -0.847 -2.342) 2.541 21.135 ( 0.503 -0.847 2.342) 2.541 21.722 ( -1.847 -1.970 -2.535) 3.704 21.722 ( -1.847 -1.970 2.535) 3.704 ======================= Grid point 315 (96/100) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 0.000 10.145 -10.493) 14.595 2.963 ( 0.000 10.145 10.493) 14.595 3.038 ( 0.000 7.023 -11.862) 13.785 3.038 ( 0.000 7.023 11.862) 13.785 3.576 ( 0.000 -9.568 -6.322) 11.468 3.576 ( 0.000 -9.568 6.322) 11.468 3.747 ( 0.000 -7.798 -6.973) 10.461 3.747 ( 0.000 -7.798 6.973) 10.461 4.330 ( 0.000 -1.518 -0.948) 1.790 4.330 ( 0.000 -1.518 0.948) 1.790 5.330 ( 0.000 -1.036 -3.064) 3.234 5.330 ( 0.000 -1.036 3.064) 3.234 5.455 ( 0.000 2.551 -3.960) 4.711 5.455 ( 0.000 2.551 3.960) 4.711 5.575 ( 0.000 -0.253 -2.313) 2.326 5.575 ( 0.000 -0.253 2.313) 2.326 5.619 ( 0.000 1.057 -2.674) 2.876 5.619 ( 0.000 1.057 2.674) 2.876 6.283 ( 0.000 20.429 -9.199) 22.404 6.283 ( 0.000 20.429 9.199) 22.404 6.636 ( 0.000 5.585 -9.700) 11.193 6.636 ( 0.000 5.585 9.700) 11.193 6.973 ( 0.000 -15.130 -9.632) 17.935 6.973 ( 0.000 -15.130 9.632) 17.935 8.435 ( 0.000 3.433 -13.071) 13.515 8.435 ( 0.000 3.433 13.071) 13.515 8.441 ( 0.000 0.177 -6.254) 6.257 8.441 ( 0.000 0.177 6.254) 6.257 9.061 ( 0.000 0.085 -7.747) 7.747 9.061 ( 0.000 0.085 7.747) 7.747 9.477 ( 0.000 1.517 -0.453) 1.583 9.477 ( 0.000 1.517 0.453) 1.583 10.047 ( 0.000 7.177 -14.833) 16.478 10.047 ( 0.000 7.177 14.833) 16.478 10.121 ( 0.000 -1.011 -1.582) 1.878 10.121 ( 0.000 -1.011 1.582) 1.878 10.409 ( 0.000 -0.930 -3.968) 4.075 10.409 ( 0.000 -0.930 3.968) 4.075 10.845 ( 0.000 -3.390 -4.526) 5.655 10.845 ( 0.000 -3.390 4.526) 5.655 11.081 ( 0.000 -0.513 -7.530) 7.548 11.081 ( 0.000 -0.513 7.530) 7.548 11.304 ( 0.000 -0.336 -2.402) 2.426 11.304 ( 0.000 -0.336 2.402) 2.426 11.815 ( 0.000 -1.376 -8.737) 8.845 11.815 ( 0.000 -1.376 8.737) 8.845 12.099 ( 0.000 0.444 -16.218) 16.224 12.099 ( 0.000 0.444 16.218) 16.224 12.311 ( 0.000 4.425 -17.194) 17.755 12.311 ( 0.000 4.425 17.194) 17.755 13.089 ( 0.000 -0.160 -3.799) 3.803 13.089 ( 0.000 -0.160 3.799) 3.803 13.210 ( 0.000 -4.207 -5.520) 6.941 13.210 ( 0.000 -4.207 5.520) 6.941 13.537 ( 0.000 -0.546 -10.984) 10.998 13.537 ( 0.000 -0.546 10.984) 10.998 14.082 ( 0.000 -0.034 -4.163) 4.163 14.082 ( 0.000 -0.034 4.163) 4.163 14.652 ( 0.000 -1.232 -1.992) 2.342 14.652 ( 0.000 -1.232 1.992) 2.342 15.120 ( 0.000 3.076 -1.313) 3.344 15.120 ( 0.000 3.076 1.313) 3.344 15.719 ( 0.000 -0.791 -3.260) 3.355 15.719 ( 0.000 -0.791 3.260) 3.355 16.008 ( 0.000 -0.190 -1.381) 1.394 16.008 ( 0.000 -0.190 1.381) 1.394 16.531 ( 0.000 0.779 -9.224) 9.256 16.531 ( 0.000 0.779 9.224) 9.256 16.818 ( 0.000 1.960 -11.890) 12.051 16.818 ( 0.000 1.960 11.890) 12.051 18.006 ( 0.000 0.836 -2.884) 3.003 18.006 ( 0.000 0.836 2.884) 3.003 18.025 ( 0.000 2.749 -9.191) 9.594 18.025 ( 0.000 2.749 9.191) 9.594 18.360 ( 0.000 -1.790 -5.432) 5.719 18.360 ( 0.000 -1.790 5.432) 5.719 19.449 ( 0.000 6.983 -6.343) 9.434 19.449 ( 0.000 6.983 6.343) 9.434 19.907 ( 0.000 -9.711 -14.294) 17.281 19.907 ( 0.000 -9.711 14.294) 17.281 21.483 ( 0.000 0.725 -0.961) 1.204 21.483 ( 0.000 0.725 0.961) 1.204 22.002 ( 0.000 0.832 -6.449) 6.503 22.002 ( 0.000 0.832 6.449) 6.503 ======================= Grid point 317 (97/100) ======================= q-point: ( 0.11 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 5.096 13.879 -9.364) 17.501 2.988 ( 5.096 13.879 9.364) 17.501 3.256 ( 18.385 2.306 -11.627) 21.875 3.256 ( 18.385 2.306 11.627) 21.875 3.616 ( 5.755 -8.321 -4.012) 10.884 3.616 ( 5.755 -8.321 4.012) 10.884 3.862 ( 10.434 -7.035 -5.780) 13.848 3.862 ( 10.434 -7.035 5.780) 13.848 4.386 ( 5.860 -1.011 -0.816) 6.002 4.386 ( 5.860 -1.011 0.816) 6.002 5.313 ( -5.105 1.376 -1.642) 5.536 5.313 ( -5.105 1.376 1.642) 5.536 5.473 ( -1.958 0.980 -1.172) 2.484 5.473 ( -1.958 0.980 1.172) 2.484 5.488 ( 1.615 0.300 -1.866) 2.486 5.488 ( 1.615 0.300 1.866) 2.486 5.695 ( 4.155 -0.519 -0.514) 4.219 5.695 ( 4.155 -0.519 0.514) 4.219 6.297 ( 1.501 18.493 -9.541) 20.863 6.297 ( 1.501 18.493 9.541) 20.863 6.644 ( 1.037 4.507 -9.907) 10.934 6.644 ( 1.037 4.507 9.907) 10.934 6.941 ( -2.801 -12.764 -9.883) 16.384 6.941 ( -2.801 -12.764 9.883) 16.384 8.340 ( -7.078 0.780 -1.905) 7.371 8.340 ( -7.078 0.780 1.905) 7.371 8.498 ( 2.411 1.658 -5.597) 6.315 8.498 ( 2.411 1.658 5.597) 6.315 9.073 ( 1.608 0.988 -8.720) 8.922 9.073 ( 1.608 0.988 8.720) 8.922 9.597 ( 11.452 1.403 -0.109) 11.538 9.597 ( 11.452 1.403 0.109) 11.538 10.017 ( -2.773 7.068 -10.500) 12.957 10.017 ( -2.773 7.068 10.500) 12.957 10.100 ( -2.265 -1.236 -3.776) 4.573 10.100 ( -2.265 -1.236 3.776) 4.573 10.366 ( -3.947 -1.163 -5.020) 6.491 10.366 ( -3.947 -1.163 5.020) 6.491 10.839 ( -0.718 -3.174 -4.337) 5.422 10.839 ( -0.718 -3.174 4.337) 5.422 11.062 ( -1.658 -0.925 -7.139) 7.387 11.062 ( -1.658 -0.925 7.139) 7.387 11.278 ( -2.524 0.393 -1.681) 3.058 11.278 ( -2.524 0.393 1.681) 3.058 11.807 ( -1.323 -1.652 -7.241) 7.544 11.807 ( -1.323 -1.652 7.241) 7.544 12.107 ( -0.220 1.645 -14.810) 14.903 12.107 ( -0.220 1.645 14.810) 14.903 12.262 ( -3.003 2.273 -16.152) 16.586 12.262 ( -3.003 2.273 16.152) 16.586 12.980 ( -8.986 -0.106 -2.730) 9.393 12.980 ( -8.986 -0.106 2.730) 9.393 13.341 ( 12.547 -2.631 -3.066) 13.181 13.341 ( 12.547 -2.631 3.066) 13.181 13.675 ( 11.521 -0.246 -5.256) 12.665 13.675 ( 11.521 -0.246 5.256) 12.665 14.117 ( 3.540 -0.635 -4.371) 5.661 14.117 ( 3.540 -0.635 4.371) 5.661 14.670 ( 1.948 -0.835 -2.032) 2.936 14.670 ( 1.948 -0.835 2.032) 2.936 15.150 ( 3.012 2.708 -0.797) 4.128 15.150 ( 3.012 2.708 0.797) 4.128 15.737 ( 1.920 -0.829 -2.809) 3.503 15.737 ( 1.920 -0.829 2.809) 3.503 16.007 ( -0.005 0.234 -1.453) 1.472 16.007 ( -0.005 0.234 1.453) 1.472 16.529 ( -0.161 0.808 -8.712) 8.751 16.529 ( -0.161 0.808 8.712) 8.751 16.787 ( -3.283 1.886 -11.175) 11.799 16.787 ( -3.283 1.886 11.175) 11.799 17.947 ( -6.512 2.585 -4.806) 8.496 17.947 ( -6.512 2.585 4.806) 8.496 17.986 ( -4.159 0.958 -8.392) 9.415 17.986 ( -4.159 0.958 8.392) 9.415 18.326 ( -2.076 -2.378 -4.748) 5.702 18.326 ( -2.076 -2.378 4.748) 5.702 19.535 ( 7.927 7.434 -6.072) 12.449 19.535 ( 7.927 7.434 6.072) 12.449 19.985 ( 8.096 -9.909 -11.361) 17.112 19.985 ( 8.096 -9.909 11.361) 17.112 21.442 ( -4.184 0.838 -1.122) 4.412 21.442 ( -4.184 0.838 1.122) 4.412 21.965 ( -3.715 0.725 -6.275) 7.328 21.965 ( -3.715 0.725 6.275) 7.328 ======================= Grid point 319 (98/100) ======================= q-point: ( 0.22 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 12.451 14.682 -7.736) 20.747 3.157 ( 12.451 14.682 7.736) 20.747 3.561 ( 11.312 -5.060 -7.820) 14.653 3.561 ( 11.312 -5.060 7.820) 14.653 3.876 ( 21.059 1.513 -6.933) 22.223 3.876 ( 21.059 1.513 6.933) 22.223 4.078 ( 11.552 -6.419 -5.514) 14.320 4.078 ( 11.552 -6.419 5.514) 14.320 4.532 ( 8.146 0.012 -1.504) 8.284 4.532 ( 8.146 0.012 1.504) 8.284 5.123 ( -12.781 2.008 -1.232) 12.996 5.123 ( -12.781 2.008 1.232) 12.996 5.430 ( -0.878 0.499 -0.960) 1.393 5.430 ( -0.878 0.499 0.960) 1.393 5.592 ( 5.314 1.863 -2.175) 6.037 5.592 ( 5.314 1.863 2.175) 6.037 5.782 ( 5.523 -4.262 -3.139) 7.650 5.782 ( 5.523 -4.262 3.139) 7.650 6.343 ( 3.606 12.464 -11.262) 17.181 6.343 ( 3.606 12.464 11.262) 17.181 6.686 ( 3.756 2.418 -10.002) 10.954 6.686 ( 3.756 2.418 10.002) 10.954 6.896 ( -1.155 -6.342 -9.978) 11.879 6.896 ( -1.155 -6.342 9.978) 11.879 8.169 ( -10.753 -0.649 -1.384) 10.861 8.169 ( -10.753 -0.649 1.384) 10.861 8.508 ( -1.965 0.870 -6.194) 6.556 8.508 ( -1.966 0.870 6.194) 6.556 9.116 ( 2.368 2.773 -11.103) 11.687 9.116 ( 2.368 2.773 11.103) 11.687 9.801 ( 4.792 3.133 -3.196) 6.557 9.801 ( 4.792 3.133 3.196) 6.557 9.968 ( -1.315 3.364 -2.300) 4.282 9.968 ( -1.315 3.364 2.300) 4.282 10.050 ( -1.765 -0.557 -3.101) 3.611 10.050 ( -1.765 -0.557 3.101) 3.611 10.316 ( 1.383 -1.166 -8.181) 8.379 10.316 ( 1.383 -1.166 8.181) 8.379 10.823 ( -0.571 -2.540 -3.069) 4.025 10.823 ( -0.571 -2.540 3.069) 4.025 11.030 ( -1.835 -1.853 -4.236) 4.974 11.030 ( -1.835 -1.853 4.236) 4.974 11.224 ( -2.690 1.662 -0.239) 3.171 11.224 ( -2.690 1.662 0.239) 3.171 11.755 ( -4.115 -2.205 -3.425) 5.790 11.755 ( -4.115 -2.205 3.425) 5.790 12.041 ( -5.594 2.504 -11.835) 13.328 12.041 ( -5.594 2.504 11.835) 13.328 12.281 ( 3.938 0.595 -16.230) 16.712 12.281 ( 3.938 0.595 16.230) 16.712 12.808 ( -8.795 0.028 -7.157) 11.340 12.808 ( -8.795 0.028 7.157) 11.340 13.618 ( 15.177 -0.671 -4.657) 15.890 13.618 ( 15.177 -0.671 4.657) 15.890 13.903 ( 11.783 1.549 -2.806) 12.211 13.903 ( 11.783 1.549 2.806) 12.211 14.204 ( 5.247 -2.723 -5.825) 8.299 14.204 ( 5.247 -2.723 5.825) 8.299 14.724 ( 3.447 0.132 -2.889) 4.499 14.724 ( 3.447 0.132 2.889) 4.499 15.224 ( 4.521 1.652 -0.605) 4.851 15.224 ( 4.521 1.652 0.605) 4.851 15.792 ( 3.800 -0.568 -1.788) 4.238 15.792 ( 3.800 -0.568 1.788) 4.238 16.013 ( 0.834 1.172 -2.429) 2.823 16.013 ( 0.834 1.172 2.429) 2.823 16.532 ( 0.600 1.202 -6.225) 6.368 16.532 ( 0.600 1.202 6.225) 6.368 16.700 ( -5.434 1.500 -8.768) 10.424 16.700 ( -5.434 1.500 8.768) 10.424 17.730 ( -14.638 2.356 -1.859) 14.943 17.730 ( -14.638 2.356 1.859) 14.943 17.931 ( -1.786 -0.036 -5.339) 5.630 17.931 ( -1.786 -0.036 5.339) 5.630 18.296 ( -1.809 -2.669 -2.813) 4.279 18.296 ( -1.809 -2.669 2.813) 4.279 19.712 ( 10.425 7.086 -6.067) 13.989 19.712 ( 10.425 7.086 6.067) 13.989 20.186 ( 11.889 -9.116 -6.111) 16.180 20.186 ( 11.889 -9.116 6.111) 16.180 21.333 ( -6.938 1.188 -2.458) 7.456 21.333 ( -6.938 1.188 2.458) 7.456 21.874 ( -5.550 0.301 -5.814) 8.043 21.874 ( -5.550 0.301 5.814) 8.043 ======================= Grid point 321 (99/100) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 16.846 13.287 -6.562) 22.436 3.441 ( 16.846 13.287 6.562) 22.436 3.745 ( 9.179 -4.242 -6.945) 12.267 3.745 ( 9.179 -4.242 6.945) 12.267 4.184 ( 8.313 4.908 -3.693) 10.336 4.184 ( 8.313 4.908 3.693) 10.336 4.326 ( 12.931 -1.435 -0.848) 13.038 4.326 ( 12.931 -1.435 0.848) 13.038 4.599 ( -3.403 4.043 -2.980) 6.067 4.599 ( -3.403 4.043 2.980) 6.067 4.916 ( -5.934 -4.442 -6.956) 10.165 4.916 ( -5.934 -4.442 6.956) 10.165 5.442 ( 1.900 0.683 -0.511) 2.083 5.442 ( 1.900 0.683 0.511) 2.083 5.665 ( 2.796 4.656 -1.593) 5.660 5.665 ( 2.796 4.656 1.593) 5.660 5.883 ( 4.261 -10.656 -4.607) 12.367 5.883 ( 4.261 -10.656 4.607) 12.367 6.453 ( 8.117 5.451 -11.905) 15.405 6.453 ( 8.117 5.451 11.905) 15.405 6.779 ( 4.947 1.952 -5.776) 7.852 6.779 ( 4.947 1.952 5.776) 7.852 6.924 ( 4.813 -0.469 -7.724) 9.112 6.924 ( 4.813 -0.469 7.724) 9.112 7.947 ( -12.014 -1.321 -1.625) 12.195 7.947 ( -12.014 -1.321 1.625) 12.195 8.413 ( -7.890 0.539 -6.026) 9.943 8.413 ( -7.890 0.539 6.026) 9.943 9.144 ( 0.372 3.815 -10.727) 11.392 9.144 ( 0.372 3.815 10.727) 11.392 9.762 ( -4.313 5.732 -3.643) 8.045 9.762 ( -4.313 5.732 3.643) 8.045 9.937 ( -1.792 -1.207 -7.668) 7.967 9.937 ( -1.792 -1.207 7.668) 7.967 10.021 ( -2.875 -1.064 -1.456) 3.393 10.021 ( -2.875 -1.064 1.456) 3.393 10.466 ( 10.647 0.322 -8.020) 13.333 10.466 ( 10.647 0.322 8.020) 13.333 10.832 ( 0.979 -0.883 -6.248) 6.386 10.832 ( 0.979 -0.883 6.248) 6.386 10.996 ( -0.783 -2.281 -4.440) 5.053 10.996 ( -0.783 -2.281 4.440) 5.053 11.201 ( 0.981 1.030 -1.538) 2.095 11.201 ( 0.981 1.030 1.538) 2.095 11.662 ( -5.317 -2.402 -1.083) 5.934 11.662 ( -5.317 -2.401 1.083) 5.934 11.947 ( -3.832 1.517 -9.232) 10.110 11.947 ( -3.832 1.517 9.232) 10.110 12.344 ( 1.577 1.614 -16.408) 16.562 12.344 ( 1.577 1.614 16.408) 16.562 12.662 ( -6.037 -0.077 -10.651) 12.243 12.662 ( -6.037 -0.077 10.651) 12.243 13.873 ( 11.165 -0.037 -3.889) 11.823 13.873 ( 11.165 -0.037 3.889) 11.823 14.097 ( 7.997 5.141 -4.110) 10.358 14.097 ( 7.997 5.141 4.110) 10.358 14.309 ( 5.836 -5.915 -7.544) 11.223 14.309 ( 5.836 -5.915 7.544) 11.223 14.778 ( 1.719 1.126 -3.602) 4.147 14.778 ( 1.719 1.126 3.602) 4.147 15.314 ( 4.625 0.366 -1.574) 4.899 15.314 ( 4.625 0.366 1.574) 4.899 15.870 ( 4.322 0.648 -1.992) 4.802 15.870 ( 4.322 0.648 1.992) 4.802 16.044 ( 2.381 1.882 -6.161) 6.868 16.044 ( 2.381 1.882 6.161) 6.868 16.506 ( -5.707 1.822 -5.507) 8.137 16.506 ( -5.707 1.822 5.507) 8.137 16.650 ( 3.137 1.236 -2.241) 4.049 16.650 ( 3.137 1.236 2.241) 4.049 17.440 ( -15.297 0.838 -0.997) 15.353 17.440 ( -15.297 0.838 0.997) 15.353 17.918 ( 0.358 -0.224 -4.749) 4.767 17.918 ( 0.358 -0.224 4.749) 4.767 18.243 ( -3.685 -3.137 -1.784) 5.158 18.243 ( -3.685 -3.137 1.784) 5.158 19.926 ( 11.945 6.485 -4.781) 14.408 19.926 ( 11.945 6.485 4.781) 14.408 20.377 ( 6.686 -7.857 -3.050) 10.758 20.377 ( 6.686 -7.857 3.050) 10.758 21.206 ( -5.483 1.471 -3.979) 6.932 21.206 ( -5.483 1.471 3.979) 6.932 21.768 ( -5.315 -0.428 -4.792) 7.169 21.768 ( -5.315 -0.428 4.792) 7.169 ======================= Grid point 323 (100/100) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 10.417 7.496 -5.566) 13.989 3.733 ( 10.417 7.496 5.566) 13.989 3.929 ( 11.906 3.850 -8.417) 15.081 3.929 ( 11.906 3.850 8.417) 15.081 4.202 ( -9.750 8.966 -3.297) 13.650 4.202 ( -9.750 8.966 3.297) 13.650 4.368 ( -2.422 -3.152 -0.633) 4.025 4.368 ( -2.422 -3.152 0.633) 4.025 4.559 ( 1.143 10.691 -11.850) 16.000 4.559 ( 1.143 10.691 11.850) 16.000 4.899 ( 1.238 -12.767 -10.727) 16.722 4.899 ( 1.238 -12.767 10.727) 16.722 5.477 ( 1.186 3.717 -0.319) 3.915 5.477 ( 1.186 3.717 0.319) 3.915 5.703 ( 1.030 3.831 -1.372) 4.197 5.703 ( 1.030 3.831 1.372) 4.197 5.938 ( 1.585 -15.739 -4.729) 16.510 5.938 ( 1.585 -15.739 4.729) 16.510 6.605 ( 5.778 4.273 -6.184) 9.481 6.605 ( 5.778 4.273 6.184) 9.481 6.838 ( 1.317 2.423 -3.387) 4.368 6.838 ( 1.317 2.423 3.387) 4.368 7.057 ( 6.388 -1.319 -4.598) 7.980 7.057 ( 6.388 -1.319 4.598) 7.980 7.756 ( -6.593 -0.095 -1.947) 6.875 7.756 ( -6.593 -0.095 1.947) 6.875 8.254 ( -6.529 0.713 -3.742) 7.559 8.254 ( -6.529 0.713 3.742) 7.559 9.139 ( -0.400 3.845 -4.477) 5.915 9.139 ( -0.400 3.845 4.477) 5.915 9.708 ( -1.306 6.708 -1.852) 7.080 9.708 ( -1.306 6.708 1.852) 7.080 9.923 ( 0.385 -2.555 -4.237) 4.963 9.923 ( 0.385 -2.555 4.237) 4.963 9.961 ( -2.684 -1.833 -2.186) 3.917 9.961 ( -2.684 -1.833 2.186) 3.917 10.608 ( 4.063 2.337 -6.893) 8.336 10.608 ( 4.063 2.337 6.893) 8.336 10.810 ( -2.385 -2.413 -6.876) 7.668 10.810 ( -2.385 -2.413 6.876) 7.668 11.025 ( 1.914 0.817 -2.794) 3.484 11.025 ( 1.914 0.817 2.794) 3.484 11.268 ( 4.727 -1.481 -1.391) 5.145 11.268 ( 4.727 -1.481 1.391) 5.145 11.568 ( -3.938 -2.642 -2.587) 5.402 11.568 ( -3.938 -2.642 2.587) 5.402 11.899 ( -1.257 0.988 -3.902) 4.217 11.899 ( -1.257 0.988 3.902) 4.217 12.332 ( -1.639 2.707 -8.003) 8.606 12.332 ( -1.639 2.707 8.003) 8.606 12.597 ( -1.149 -0.364 -6.476) 6.588 12.597 ( -1.149 -0.364 6.476) 6.588 14.019 ( 3.878 -0.450 -1.262) 4.103 14.019 ( 3.878 -0.450 1.262) 4.103 14.199 ( 2.898 7.812 -5.120) 9.780 14.199 ( 2.898 7.812 5.120) 9.780 14.403 ( 3.182 -8.024 -5.446) 10.207 14.403 ( 3.182 -8.024 5.446) 10.207 14.786 ( -0.363 1.810 -2.326) 2.970 14.786 ( -0.363 1.810 2.326) 2.970 15.379 ( 1.822 -0.347 -1.224) 2.222 15.379 ( 1.822 -0.347 1.224) 2.222 15.948 ( 3.062 2.337 -4.164) 5.673 15.948 ( 3.062 2.337 4.164) 5.673 16.094 ( 2.401 2.835 -8.057) 8.872 16.094 ( 2.401 2.835 8.057) 8.872 16.374 ( -5.805 -0.032 -5.758) 8.177 16.374 ( -5.805 -0.032 5.758) 8.177 16.771 ( 6.899 4.032 -1.584) 8.146 16.771 ( 6.899 4.032 1.584) 8.146 17.183 ( -10.171 -1.876 -0.590) 10.360 17.183 ( -10.171 -1.876 0.590) 10.360 17.937 ( 1.105 -0.034 -3.445) 3.619 17.937 ( 1.105 -0.034 3.445) 3.619 18.175 ( -2.576 -3.860 -2.605) 5.322 18.175 ( -2.576 -3.860 2.605) 5.322 20.136 ( 8.674 8.116 -2.136) 12.070 20.136 ( 8.674 8.116 2.136) 12.070 20.409 ( -2.339 -8.370 -0.688) 8.718 20.409 ( -2.339 -8.370 0.688) 8.718 21.150 ( -0.794 1.106 -2.616) 2.950 21.150 ( -0.794 1.106 2.616) 2.950 21.689 ( -2.522 -1.094 -2.306) 3.588 21.689 ( -2.522 -1.094 2.306) 3.588 =================== 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 3/40824 10.0 5698.895 5999.071 2084.932 0.000 0.000 -0.000 3/40824 20.0 3259.330 3233.884 3765.254 0.000 0.000 -0.000 3/40824 30.0 1559.926 1490.743 1592.089 0.000 0.000 -0.000 3/40824 40.0 830.630 780.458 759.994 0.000 0.000 -0.000 3/40824 50.0 502.916 469.306 441.351 0.000 0.000 -0.000 3/40824 60.0 335.015 311.668 287.843 0.000 0.000 -0.000 3/40824 70.0 238.417 221.438 202.080 0.000 0.000 -0.000 3/40824 80.0 178.143 165.273 149.505 0.000 0.000 -0.000 3/40824 90.0 138.291 128.175 115.170 0.000 0.000 -0.000 3/40824 100.0 110.745 102.544 91.661 0.000 0.000 -0.000 3/40824 110.0 91.007 84.181 74.943 0.000 0.000 -0.000 3/40824 120.0 76.427 70.620 62.673 0.000 0.000 -0.000 3/40824 130.0 65.373 60.340 53.420 0.000 0.000 -0.000 3/40824 140.0 56.801 52.370 46.277 0.000 0.000 -0.000 3/40824 150.0 50.019 46.065 40.650 0.000 0.000 -0.000 3/40824 160.0 44.559 40.991 36.135 0.000 0.000 -0.000 3/40824 170.0 40.094 36.843 32.454 0.000 0.000 -0.000 3/40824 180.0 36.392 33.404 29.411 0.000 0.000 -0.000 3/40824 190.0 33.283 30.519 26.862 0.000 0.000 -0.000 3/40824 200.0 30.644 28.070 24.703 0.000 0.000 -0.000 3/40824 210.0 28.381 25.971 22.854 0.000 0.000 -0.000 3/40824 220.0 26.422 24.156 21.258 0.000 0.000 -0.000 3/40824 230.0 24.713 22.573 19.867 0.000 0.000 -0.000 3/40824 240.0 23.210 21.182 18.646 0.000 0.000 -0.000 3/40824 250.0 21.879 19.951 17.566 0.000 0.000 -0.000 3/40824 260.0 20.694 18.855 16.605 0.000 0.000 -0.000 3/40824 270.0 19.632 17.874 15.745 0.000 0.000 -0.000 3/40824 280.0 18.675 16.991 14.971 0.000 0.000 -0.000 3/40824 290.0 17.809 16.193 14.272 0.000 0.000 -0.000 3/40824 300.0 17.022 15.467 13.636 0.000 0.000 -0.000 3/40824 310.0 16.303 14.805 13.056 0.000 0.000 -0.000 3/40824 320.0 15.644 14.198 12.524 0.000 0.000 -0.000 3/40824 330.0 15.038 13.641 12.036 0.000 0.000 -0.000 3/40824 340.0 14.478 13.127 11.586 0.000 0.000 -0.000 3/40824 350.0 13.961 12.651 11.169 0.000 0.000 -0.000 3/40824 360.0 13.480 12.210 10.782 0.000 0.000 -0.000 3/40824 370.0 13.032 11.800 10.422 0.000 0.000 -0.000 3/40824 380.0 12.615 11.417 10.086 0.000 0.000 -0.000 3/40824 390.0 12.224 11.059 9.772 0.000 0.000 -0.000 3/40824 400.0 11.857 10.724 9.478 0.000 0.000 -0.000 3/40824 410.0 11.513 10.409 9.202 0.000 0.000 -0.000 3/40824 420.0 11.189 10.113 8.942 0.000 0.000 -0.000 3/40824 430.0 10.884 9.834 8.697 0.000 0.000 -0.000 3/40824 440.0 10.595 9.570 8.465 0.000 0.000 -0.000 3/40824 450.0 10.322 9.321 8.246 0.000 0.000 -0.000 3/40824 460.0 10.063 9.084 8.039 0.000 0.000 -0.000 3/40824 470.0 9.817 8.860 7.842 0.000 0.000 -0.000 3/40824 480.0 9.584 8.647 7.654 0.000 0.000 -0.000 3/40824 490.0 9.361 8.445 7.476 0.000 0.000 -0.000 3/40824 500.0 9.150 8.252 7.307 0.000 0.000 -0.000 3/40824 510.0 8.947 8.068 7.145 0.000 0.000 -0.000 3/40824 520.0 8.754 7.893 6.990 0.000 0.000 -0.000 3/40824 530.0 8.570 7.725 6.842 0.000 0.000 -0.000 3/40824 540.0 8.393 7.564 6.701 0.000 0.000 -0.000 3/40824 550.0 8.224 7.410 6.565 0.000 0.000 -0.000 3/40824 560.0 8.061 7.263 6.435 0.000 0.000 -0.000 3/40824 570.0 7.905 7.121 6.311 0.000 0.000 -0.000 3/40824 580.0 7.756 6.985 6.191 0.000 0.000 -0.000 3/40824 590.0 7.612 6.854 6.076 0.000 0.000 -0.000 3/40824 600.0 7.473 6.729 5.965 0.000 0.000 -0.000 3/40824 610.0 7.340 6.608 5.858 0.000 0.000 -0.000 3/40824 620.0 7.211 6.491 5.755 0.000 0.000 -0.000 3/40824 630.0 7.087 6.378 5.656 0.000 0.000 -0.000 3/40824 640.0 6.967 6.270 5.560 0.000 0.000 -0.000 3/40824 650.0 6.851 6.165 5.468 0.000 0.000 -0.000 3/40824 660.0 6.740 6.064 5.378 0.000 0.000 -0.000 3/40824 670.0 6.632 5.966 5.292 0.000 0.000 -0.000 3/40824 680.0 6.527 5.871 5.208 0.000 0.000 -0.000 3/40824 690.0 6.426 5.780 5.127 0.000 0.000 -0.000 3/40824 700.0 6.328 5.691 5.049 0.000 0.000 -0.000 3/40824 710.0 6.233 5.605 4.973 0.000 0.000 -0.000 3/40824 720.0 6.140 5.522 4.900 0.000 0.000 -0.000 3/40824 730.0 6.051 5.441 4.828 0.000 0.000 -0.000 3/40824 740.0 5.964 5.362 4.759 0.000 0.000 -0.000 3/40824 750.0 5.880 5.286 4.691 0.000 0.000 -0.000 3/40824 760.0 5.798 5.212 4.626 0.000 0.000 -0.000 3/40824 770.0 5.719 5.140 4.563 0.000 0.000 -0.000 3/40824 780.0 5.641 5.070 4.501 0.000 0.000 -0.000 3/40824 790.0 5.566 5.003 4.441 0.000 0.000 -0.000 3/40824 800.0 5.493 4.936 4.382 0.000 0.000 -0.000 3/40824 810.0 5.422 4.872 4.325 0.000 0.000 -0.000 3/40824 820.0 5.352 4.809 4.270 0.000 0.000 -0.000 3/40824 830.0 5.284 4.748 4.216 0.000 0.000 -0.000 3/40824 840.0 5.219 4.689 4.163 0.000 0.000 -0.000 3/40824 850.0 5.154 4.631 4.112 0.000 0.000 -0.000 3/40824 860.0 5.092 4.574 4.062 0.000 0.000 -0.000 3/40824 870.0 5.031 4.519 4.013 0.000 0.000 -0.000 3/40824 880.0 4.971 4.465 3.965 0.000 0.000 -0.000 3/40824 890.0 4.913 4.413 3.919 0.000 0.000 -0.000 3/40824 900.0 4.856 4.362 3.874 0.000 0.000 -0.000 3/40824 910.0 4.800 4.312 3.829 0.000 0.000 -0.000 3/40824 920.0 4.746 4.263 3.786 0.000 0.000 -0.000 3/40824 930.0 4.693 4.215 3.744 0.000 0.000 -0.000 3/40824 940.0 4.641 4.168 3.702 0.000 0.000 -0.000 3/40824 950.0 4.591 4.123 3.662 0.000 0.000 -0.000 3/40824 960.0 4.541 4.078 3.622 0.000 0.000 -0.000 3/40824 970.0 4.493 4.034 3.584 0.000 0.000 -0.000 3/40824 980.0 4.445 3.991 3.546 0.000 0.000 -0.000 3/40824 990.0 4.399 3.950 3.509 0.000 0.000 -0.000 3/40824 1000.0 4.353 3.909 3.472 0.000 0.000 -0.000 3/40824 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:59:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|