----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:11:19]------------------------- 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: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.177631750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): *1 Sr 0.24500864051620 0.25000000000000 0.65367645631906 87.620 2 Sr 0.25499135948380 0.75000000000000 0.15367645631905 87.620 3 Sr 0.74500864051620 0.25000000000000 0.84632354368094 87.620 4 Sr 0.75499135948380 0.75000000000000 0.34632354368094 87.620 *5 Sc 0.07076607942136 0.25000000000000 0.89030254453777 44.956 *6 Sc 0.07822350875887 0.25000000000000 0.39358551461180 44.956 7 Sc 0.42177649124113 0.75000000000000 0.89358551461180 44.956 8 Sc 0.42923392057864 0.75000000000000 0.39030254453777 44.956 9 Sc 0.57076607942136 0.25000000000000 0.60969745546223 44.956 10 Sc 0.57822350875887 0.25000000000000 0.10641448538820 44.956 11 Sc 0.92177649124113 0.75000000000000 0.60641448538820 44.956 12 Sc 0.92923392057864 0.75000000000000 0.10969745546223 44.956 *13 O 0.02129070759297 0.75000000000000 0.28321581848915 15.999 *14 O 0.07430140702557 0.25000000000000 0.07425751603564 15.999 *15 O 0.11735619380250 0.75000000000000 0.52049171638736 15.999 *16 O 0.20790167732738 0.75000000000000 0.83943264876654 15.999 17 O 0.29209832267262 0.25000000000000 0.33943264876654 15.999 18 O 0.38264380619750 0.25000000000000 0.02049171638736 15.999 19 O 0.42569859297443 0.75000000000000 0.57425751603564 15.999 20 O 0.47870929240703 0.25000000000000 0.78321581848915 15.999 21 O 0.52129070759297 0.75000000000000 0.21678418151085 15.999 22 O 0.57430140702557 0.25000000000000 0.42574248396436 15.999 23 O 0.61735619380250 0.75000000000000 0.97950828361264 15.999 24 O 0.70790167732738 0.75000000000000 0.66056735123346 15.999 25 O 0.79209832267262 0.25000000000000 0.16056735123346 15.999 26 O 0.88264380619750 0.25000000000000 0.47950828361264 15.999 27 O 0.92569859297443 0.75000000000000 0.92574248396436 15.999 28 O 0.97870929240703 0.25000000000000 0.71678418151085 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.177631750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): *1 Sr 0.24500864051620 0.25000000000000 0.65367645631906 87.620 > 1 2 Sr 0.25499135948380 0.75000000000000 0.15367645631905 87.620 > 2 3 Sr 0.74500864051620 0.25000000000000 0.84632354368094 87.620 > 3 4 Sr 0.75499135948380 0.75000000000000 0.34632354368094 87.620 > 4 *5 Sc 0.07076607942136 0.25000000000000 0.89030254453777 44.956 > 5 *6 Sc 0.07822350875887 0.25000000000000 0.39358551461180 44.956 > 6 7 Sc 0.42177649124113 0.75000000000000 0.89358551461180 44.956 > 7 8 Sc 0.42923392057864 0.75000000000000 0.39030254453777 44.956 > 8 9 Sc 0.57076607942136 0.25000000000000 0.60969745546223 44.956 > 9 10 Sc 0.57822350875887 0.25000000000000 0.10641448538820 44.956 > 10 11 Sc 0.92177649124113 0.75000000000000 0.60641448538820 44.956 > 11 12 Sc 0.92923392057864 0.75000000000000 0.10969745546223 44.956 > 12 *13 O 0.02129070759297 0.75000000000000 0.28321581848915 15.999 > 13 *14 O 0.07430140702557 0.25000000000000 0.07425751603564 15.999 > 14 *15 O 0.11735619380250 0.75000000000000 0.52049171638736 15.999 > 15 *16 O 0.20790167732738 0.75000000000000 0.83943264876654 15.999 > 16 17 O 0.29209832267262 0.25000000000000 0.33943264876654 15.999 > 17 18 O 0.38264380619750 0.25000000000000 0.02049171638736 15.999 > 18 19 O 0.42569859297443 0.75000000000000 0.57425751603564 15.999 > 19 20 O 0.47870929240703 0.25000000000000 0.78321581848915 15.999 > 20 21 O 0.52129070759297 0.75000000000000 0.21678418151085 15.999 > 21 22 O 0.57430140702557 0.25000000000000 0.42574248396436 15.999 > 22 23 O 0.61735619380250 0.75000000000000 0.97950828361264 15.999 > 23 24 O 0.70790167732738 0.75000000000000 0.66056735123346 15.999 > 24 25 O 0.79209832267262 0.25000000000000 0.16056735123346 15.999 > 25 26 O 0.88264380619750 0.25000000000000 0.47950828361264 15.999 > 26 27 O 0.92569859297443 0.75000000000000 0.92574248396436 15.999 > 27 28 O 0.97870929240703 0.25000000000000 0.71678418151085 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.710527000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): *1 Sr 0.24500864051620 0.06250000000000 0.65367645631906 87.620 > 1 2 Sr 0.24500864051620 0.31250000000000 0.65367645631906 87.620 > 1 3 Sr 0.24500864051620 0.56250000000000 0.65367645631906 87.620 > 1 4 Sr 0.24500864051620 0.81250000000000 0.65367645631906 87.620 > 1 5 Sr 0.25499135948380 0.18750000000000 0.15367645631905 87.620 > 2 6 Sr 0.25499135948380 0.43750000000000 0.15367645631905 87.620 > 2 7 Sr 0.25499135948380 0.68750000000000 0.15367645631905 87.620 > 2 8 Sr 0.25499135948380 0.93750000000000 0.15367645631905 87.620 > 2 9 Sr 0.74500864051620 0.06250000000000 0.84632354368094 87.620 > 3 10 Sr 0.74500864051620 0.31250000000000 0.84632354368094 87.620 > 3 11 Sr 0.74500864051620 0.56250000000000 0.84632354368094 87.620 > 3 12 Sr 0.74500864051620 0.81250000000000 0.84632354368094 87.620 > 3 13 Sr 0.75499135948380 0.18750000000000 0.34632354368094 87.620 > 4 14 Sr 0.75499135948380 0.43750000000000 0.34632354368094 87.620 > 4 15 Sr 0.75499135948380 0.68750000000000 0.34632354368094 87.620 > 4 16 Sr 0.75499135948380 0.93750000000000 0.34632354368094 87.620 > 4 *17 Sc 0.07076607942136 0.06250000000000 0.89030254453777 44.956 > 5 18 Sc 0.07076607942136 0.31250000000000 0.89030254453777 44.956 > 5 19 Sc 0.07076607942136 0.56250000000000 0.89030254453777 44.956 > 5 20 Sc 0.07076607942136 0.81250000000000 0.89030254453777 44.956 > 5 *21 Sc 0.07822350875887 0.06250000000000 0.39358551461180 44.956 > 6 22 Sc 0.07822350875887 0.31250000000000 0.39358551461180 44.956 > 6 23 Sc 0.07822350875887 0.56250000000000 0.39358551461180 44.956 > 6 24 Sc 0.07822350875887 0.81250000000000 0.39358551461180 44.956 > 6 25 Sc 0.42177649124113 0.18750000000000 0.89358551461180 44.956 > 7 26 Sc 0.42177649124113 0.43750000000000 0.89358551461180 44.956 > 7 27 Sc 0.42177649124113 0.68750000000000 0.89358551461180 44.956 > 7 28 Sc 0.42177649124113 0.93750000000000 0.89358551461180 44.956 > 7 29 Sc 0.42923392057864 0.18750000000000 0.39030254453777 44.956 > 8 30 Sc 0.42923392057864 0.43750000000000 0.39030254453777 44.956 > 8 31 Sc 0.42923392057864 0.68750000000000 0.39030254453777 44.956 > 8 32 Sc 0.42923392057864 0.93750000000000 0.39030254453777 44.956 > 8 33 Sc 0.57076607942136 0.06250000000000 0.60969745546223 44.956 > 9 34 Sc 0.57076607942136 0.31250000000000 0.60969745546223 44.956 > 9 35 Sc 0.57076607942136 0.56250000000000 0.60969745546223 44.956 > 9 36 Sc 0.57076607942136 0.81250000000000 0.60969745546223 44.956 > 9 37 Sc 0.57822350875887 0.06250000000000 0.10641448538820 44.956 > 10 38 Sc 0.57822350875887 0.31250000000000 0.10641448538820 44.956 > 10 39 Sc 0.57822350875887 0.56250000000000 0.10641448538820 44.956 > 10 40 Sc 0.57822350875887 0.81250000000000 0.10641448538820 44.956 > 10 41 Sc 0.92177649124113 0.18750000000000 0.60641448538820 44.956 > 11 42 Sc 0.92177649124113 0.43750000000000 0.60641448538820 44.956 > 11 43 Sc 0.92177649124113 0.68750000000000 0.60641448538820 44.956 > 11 44 Sc 0.92177649124113 0.93750000000000 0.60641448538820 44.956 > 11 45 Sc 0.92923392057864 0.18750000000000 0.10969745546223 44.956 > 12 46 Sc 0.92923392057864 0.43750000000000 0.10969745546223 44.956 > 12 47 Sc 0.92923392057864 0.68750000000000 0.10969745546223 44.956 > 12 48 Sc 0.92923392057864 0.93750000000000 0.10969745546223 44.956 > 12 *49 O 0.02129070759297 0.18750000000000 0.28321581848915 15.999 > 13 50 O 0.02129070759297 0.43750000000000 0.28321581848915 15.999 > 13 51 O 0.02129070759297 0.68750000000000 0.28321581848915 15.999 > 13 52 O 0.02129070759297 0.93750000000000 0.28321581848915 15.999 > 13 *53 O 0.07430140702557 0.06250000000000 0.07425751603564 15.999 > 14 54 O 0.07430140702557 0.31250000000000 0.07425751603564 15.999 > 14 55 O 0.07430140702557 0.56250000000000 0.07425751603564 15.999 > 14 56 O 0.07430140702557 0.81250000000000 0.07425751603564 15.999 > 14 *57 O 0.11735619380250 0.18750000000000 0.52049171638736 15.999 > 15 58 O 0.11735619380250 0.43750000000000 0.52049171638736 15.999 > 15 59 O 0.11735619380250 0.68750000000000 0.52049171638736 15.999 > 15 60 O 0.11735619380250 0.93750000000000 0.52049171638736 15.999 > 15 *61 O 0.20790167732738 0.18750000000000 0.83943264876654 15.999 > 16 62 O 0.20790167732738 0.43750000000000 0.83943264876654 15.999 > 16 63 O 0.20790167732738 0.68750000000000 0.83943264876654 15.999 > 16 64 O 0.20790167732738 0.93750000000000 0.83943264876654 15.999 > 16 65 O 0.29209832267262 0.06250000000000 0.33943264876654 15.999 > 17 66 O 0.29209832267262 0.31250000000000 0.33943264876654 15.999 > 17 67 O 0.29209832267262 0.56250000000000 0.33943264876654 15.999 > 17 68 O 0.29209832267262 0.81250000000000 0.33943264876654 15.999 > 17 69 O 0.38264380619750 0.06250000000000 0.02049171638736 15.999 > 18 70 O 0.38264380619750 0.31250000000000 0.02049171638736 15.999 > 18 71 O 0.38264380619750 0.56250000000000 0.02049171638736 15.999 > 18 72 O 0.38264380619750 0.81250000000000 0.02049171638736 15.999 > 18 73 O 0.42569859297443 0.18750000000000 0.57425751603564 15.999 > 19 74 O 0.42569859297443 0.43750000000000 0.57425751603564 15.999 > 19 75 O 0.42569859297443 0.68750000000000 0.57425751603564 15.999 > 19 76 O 0.42569859297443 0.93750000000000 0.57425751603564 15.999 > 19 77 O 0.47870929240703 0.06250000000000 0.78321581848915 15.999 > 20 78 O 0.47870929240703 0.31250000000000 0.78321581848915 15.999 > 20 79 O 0.47870929240703 0.56250000000000 0.78321581848915 15.999 > 20 80 O 0.47870929240703 0.81250000000000 0.78321581848915 15.999 > 20 81 O 0.52129070759297 0.18750000000000 0.21678418151085 15.999 > 21 82 O 0.52129070759297 0.43750000000000 0.21678418151085 15.999 > 21 83 O 0.52129070759297 0.68750000000000 0.21678418151085 15.999 > 21 84 O 0.52129070759297 0.93750000000000 0.21678418151085 15.999 > 21 85 O 0.57430140702557 0.06250000000000 0.42574248396436 15.999 > 22 86 O 0.57430140702557 0.31250000000000 0.42574248396436 15.999 > 22 87 O 0.57430140702557 0.56250000000000 0.42574248396436 15.999 > 22 88 O 0.57430140702557 0.81250000000000 0.42574248396436 15.999 > 22 89 O 0.61735619380250 0.18750000000000 0.97950828361264 15.999 > 23 90 O 0.61735619380250 0.43750000000000 0.97950828361264 15.999 > 23 91 O 0.61735619380250 0.68750000000000 0.97950828361264 15.999 > 23 92 O 0.61735619380250 0.93750000000000 0.97950828361264 15.999 > 23 93 O 0.70790167732738 0.18750000000000 0.66056735123346 15.999 > 24 94 O 0.70790167732738 0.43750000000000 0.66056735123346 15.999 > 24 95 O 0.70790167732738 0.68750000000000 0.66056735123346 15.999 > 24 96 O 0.70790167732738 0.93750000000000 0.66056735123346 15.999 > 24 97 O 0.79209832267262 0.06250000000000 0.16056735123346 15.999 > 25 98 O 0.79209832267262 0.31250000000000 0.16056735123346 15.999 > 25 99 O 0.79209832267262 0.56250000000000 0.16056735123346 15.999 > 25 100 O 0.79209832267262 0.81250000000000 0.16056735123346 15.999 > 25 101 O 0.88264380619750 0.06250000000000 0.47950828361264 15.999 > 26 102 O 0.88264380619750 0.31250000000000 0.47950828361264 15.999 > 26 103 O 0.88264380619750 0.56250000000000 0.47950828361264 15.999 > 26 104 O 0.88264380619750 0.81250000000000 0.47950828361264 15.999 > 26 105 O 0.92569859297443 0.18750000000000 0.92574248396436 15.999 > 27 106 O 0.92569859297443 0.43750000000000 0.92574248396436 15.999 > 27 107 O 0.92569859297443 0.68750000000000 0.92574248396436 15.999 > 27 108 O 0.92569859297443 0.93750000000000 0.92574248396436 15.999 > 27 109 O 0.97870929240703 0.06250000000000 0.71678418151085 15.999 > 28 110 O 0.97870929240703 0.31250000000000 0.71678418151085 15.999 > 28 111 O 0.97870929240703 0.56250000000000 0.71678418151085 15.999 > 28 112 O 0.97870929240703 0.81250000000000 0.71678418151085 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4347724 0.0000000 0.0000000 0.0000000 4.7629908 0.0000000 0.0000000 0.0000000 4.6113188 -------------------------- Born effective charges -------------------------- 1 Sr 2.7344790 0.0000000 0.0604240 0.0000000 2.3208987 0.0000000 0.0836227 0.0000000 2.5467092 2 Sr 2.7344790 0.0000000 -0.0604240 0.0000000 2.3208987 0.0000000 -0.0836227 0.0000000 2.5467092 3 Sr 2.7344790 0.0000000 -0.0604240 0.0000000 2.3208987 0.0000000 -0.0836227 0.0000000 2.5467092 4 Sr 2.7344790 0.0000000 0.0604240 0.0000000 2.3208987 0.0000000 0.0836227 0.0000000 2.5467092 5 Sc 3.3818100 0.0000000 -0.1987565 0.0000000 4.1113358 0.0000000 -0.1157688 0.0000000 4.0670067 6 Sc 3.5281381 0.0000000 -0.3585510 0.0000000 4.3012118 0.0000000 -0.2002082 0.0000000 3.5629001 7 Sc 3.5281381 0.0000000 0.3585510 0.0000000 4.3012118 0.0000000 0.2002082 0.0000000 3.5629001 8 Sc 3.3818100 0.0000000 0.1987565 0.0000000 4.1113358 0.0000000 0.1157688 0.0000000 4.0670067 9 Sc 3.3818100 0.0000000 0.1987565 0.0000000 4.1113358 0.0000000 0.1157688 0.0000000 4.0670067 10 Sc 3.5281381 0.0000000 0.3585510 0.0000000 4.3012118 0.0000000 0.2002082 0.0000000 3.5629001 11 Sc 3.5281381 0.0000000 -0.3585510 0.0000000 4.3012118 0.0000000 -0.2002082 0.0000000 3.5629001 12 Sc 3.3818100 0.0000000 -0.1987565 0.0000000 4.1113358 0.0000000 -0.1157688 0.0000000 4.0670067 13 O -1.9732417 0.0000000 -0.3846868 0.0000000 -2.6342715 0.0000000 -0.5582465 0.0000000 -3.1494765 14 O -2.3235109 0.0000000 -0.0213001 0.0000000 -2.6918032 0.0000000 0.0867022 0.0000000 -2.5295654 15 O -2.3125978 0.0000000 0.0069213 0.0000000 -2.6883592 0.0000000 0.0386213 0.0000000 -2.5058521 16 O -3.0350767 0.0000000 0.0583112 0.0000000 -2.7190123 0.0000000 0.1010999 0.0000000 -1.9917221 17 O -3.0350767 0.0000000 -0.0583112 0.0000000 -2.7190123 0.0000000 -0.1010999 0.0000000 -1.9917221 18 O -2.3125978 0.0000000 -0.0069213 0.0000000 -2.6883592 0.0000000 -0.0386213 0.0000000 -2.5058521 19 O -2.3235109 0.0000000 0.0213001 0.0000000 -2.6918032 0.0000000 -0.0867022 0.0000000 -2.5295654 20 O -1.9732417 0.0000000 0.3846868 0.0000000 -2.6342715 0.0000000 0.5582465 0.0000000 -3.1494765 21 O -1.9732417 0.0000000 0.3846868 0.0000000 -2.6342715 0.0000000 0.5582465 0.0000000 -3.1494765 22 O -2.3235109 0.0000000 0.0213001 0.0000000 -2.6918032 0.0000000 -0.0867022 0.0000000 -2.5295654 23 O -2.3125978 0.0000000 -0.0069213 0.0000000 -2.6883592 0.0000000 -0.0386213 0.0000000 -2.5058521 24 O -3.0350767 0.0000000 -0.0583112 0.0000000 -2.7190123 0.0000000 -0.1010999 0.0000000 -1.9917221 25 O -3.0350767 0.0000000 0.0583112 0.0000000 -2.7190123 0.0000000 0.1010999 0.0000000 -1.9917221 26 O -2.3125978 0.0000000 0.0069213 0.0000000 -2.6883592 0.0000000 0.0386213 0.0000000 -2.5058521 27 O -2.3235109 0.0000000 -0.0213001 0.0000000 -2.6918032 0.0000000 0.0867022 0.0000000 -2.5295654 28 O -1.9732417 0.0000000 -0.3846868 0.0000000 -2.6342715 0.0000000 -0.5582465 0.0000000 -3.1494765 ---------------------------------------------------------------------------- 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: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.116 Solver_block: 200 / 480 - Time: 3.127 Solver_block: 300 / 480 - Time: 3.129 Solver_block: 400 / 480 - Time: 3.130 Solver_block: 480 / 480 - Time: 2.544 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.098 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:11:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:11:55]------------------------- 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): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.177631750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): 1 Sr 0.24500864051620 0.25000000000000 0.65367645631906 87.620 2 Sr 0.25499135948380 0.75000000000000 0.15367645631905 87.620 3 Sr 0.74500864051620 0.25000000000000 0.84632354368094 87.620 4 Sr 0.75499135948380 0.75000000000000 0.34632354368094 87.620 5 Sc 0.07076607942136 0.25000000000000 0.89030254453777 44.956 6 Sc 0.07822350875887 0.25000000000000 0.39358551461180 44.956 7 Sc 0.42177649124113 0.75000000000000 0.89358551461180 44.956 8 Sc 0.42923392057864 0.75000000000000 0.39030254453777 44.956 9 Sc 0.57076607942136 0.25000000000000 0.60969745546223 44.956 10 Sc 0.57822350875887 0.25000000000000 0.10641448538820 44.956 11 Sc 0.92177649124113 0.75000000000000 0.60641448538820 44.956 12 Sc 0.92923392057864 0.75000000000000 0.10969745546223 44.956 13 O 0.02129070759297 0.75000000000000 0.28321581848915 15.999 14 O 0.07430140702557 0.25000000000000 0.07425751603564 15.999 15 O 0.11735619380250 0.75000000000000 0.52049171638736 15.999 16 O 0.20790167732738 0.75000000000000 0.83943264876654 15.999 17 O 0.29209832267262 0.25000000000000 0.33943264876654 15.999 18 O 0.38264380619750 0.25000000000000 0.02049171638736 15.999 19 O 0.42569859297443 0.75000000000000 0.57425751603564 15.999 20 O 0.47870929240703 0.25000000000000 0.78321581848915 15.999 21 O 0.52129070759297 0.75000000000000 0.21678418151085 15.999 22 O 0.57430140702557 0.25000000000000 0.42574248396436 15.999 23 O 0.61735619380250 0.75000000000000 0.97950828361264 15.999 24 O 0.70790167732738 0.75000000000000 0.66056735123346 15.999 25 O 0.79209832267262 0.25000000000000 0.16056735123346 15.999 26 O 0.88264380619750 0.25000000000000 0.47950828361264 15.999 27 O 0.92569859297443 0.75000000000000 0.92574248396436 15.999 28 O 0.97870929240703 0.25000000000000 0.71678418151085 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.710527000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): 1 Sr 0.24500864051620 0.06250000000000 0.65367645631906 87.620 > 1 2 Sr 0.24500864051620 0.31250000000000 0.65367645631906 87.620 > 1 3 Sr 0.24500864051620 0.56250000000000 0.65367645631906 87.620 > 1 4 Sr 0.24500864051620 0.81250000000000 0.65367645631906 87.620 > 1 5 Sr 0.25499135948380 0.18750000000000 0.15367645631905 87.620 > 5 6 Sr 0.25499135948380 0.43750000000000 0.15367645631905 87.620 > 5 7 Sr 0.25499135948380 0.68750000000000 0.15367645631905 87.620 > 5 8 Sr 0.25499135948380 0.93750000000000 0.15367645631905 87.620 > 5 9 Sr 0.74500864051620 0.06250000000000 0.84632354368094 87.620 > 9 10 Sr 0.74500864051620 0.31250000000000 0.84632354368094 87.620 > 9 11 Sr 0.74500864051620 0.56250000000000 0.84632354368094 87.620 > 9 12 Sr 0.74500864051620 0.81250000000000 0.84632354368094 87.620 > 9 13 Sr 0.75499135948380 0.18750000000000 0.34632354368094 87.620 > 13 14 Sr 0.75499135948380 0.43750000000000 0.34632354368094 87.620 > 13 15 Sr 0.75499135948380 0.68750000000000 0.34632354368094 87.620 > 13 16 Sr 0.75499135948380 0.93750000000000 0.34632354368094 87.620 > 13 17 Sc 0.07076607942136 0.06250000000000 0.89030254453777 44.956 > 17 18 Sc 0.07076607942136 0.31250000000000 0.89030254453777 44.956 > 17 19 Sc 0.07076607942136 0.56250000000000 0.89030254453777 44.956 > 17 20 Sc 0.07076607942136 0.81250000000000 0.89030254453777 44.956 > 17 21 Sc 0.07822350875887 0.06250000000000 0.39358551461180 44.956 > 21 22 Sc 0.07822350875887 0.31250000000000 0.39358551461180 44.956 > 21 23 Sc 0.07822350875887 0.56250000000000 0.39358551461180 44.956 > 21 24 Sc 0.07822350875887 0.81250000000000 0.39358551461180 44.956 > 21 25 Sc 0.42177649124113 0.18750000000000 0.89358551461180 44.956 > 25 26 Sc 0.42177649124113 0.43750000000000 0.89358551461180 44.956 > 25 27 Sc 0.42177649124113 0.68750000000000 0.89358551461180 44.956 > 25 28 Sc 0.42177649124113 0.93750000000000 0.89358551461180 44.956 > 25 29 Sc 0.42923392057864 0.18750000000000 0.39030254453777 44.956 > 29 30 Sc 0.42923392057864 0.43750000000000 0.39030254453777 44.956 > 29 31 Sc 0.42923392057864 0.68750000000000 0.39030254453777 44.956 > 29 32 Sc 0.42923392057864 0.93750000000000 0.39030254453777 44.956 > 29 33 Sc 0.57076607942136 0.06250000000000 0.60969745546223 44.956 > 33 34 Sc 0.57076607942136 0.31250000000000 0.60969745546223 44.956 > 33 35 Sc 0.57076607942136 0.56250000000000 0.60969745546223 44.956 > 33 36 Sc 0.57076607942136 0.81250000000000 0.60969745546223 44.956 > 33 37 Sc 0.57822350875887 0.06250000000000 0.10641448538820 44.956 > 37 38 Sc 0.57822350875887 0.31250000000000 0.10641448538820 44.956 > 37 39 Sc 0.57822350875887 0.56250000000000 0.10641448538820 44.956 > 37 40 Sc 0.57822350875887 0.81250000000000 0.10641448538820 44.956 > 37 41 Sc 0.92177649124113 0.18750000000000 0.60641448538820 44.956 > 41 42 Sc 0.92177649124113 0.43750000000000 0.60641448538820 44.956 > 41 43 Sc 0.92177649124113 0.68750000000000 0.60641448538820 44.956 > 41 44 Sc 0.92177649124113 0.93750000000000 0.60641448538820 44.956 > 41 45 Sc 0.92923392057864 0.18750000000000 0.10969745546223 44.956 > 45 46 Sc 0.92923392057864 0.43750000000000 0.10969745546223 44.956 > 45 47 Sc 0.92923392057864 0.68750000000000 0.10969745546223 44.956 > 45 48 Sc 0.92923392057864 0.93750000000000 0.10969745546223 44.956 > 45 49 O 0.02129070759297 0.18750000000000 0.28321581848915 15.999 > 49 50 O 0.02129070759297 0.43750000000000 0.28321581848915 15.999 > 49 51 O 0.02129070759297 0.68750000000000 0.28321581848915 15.999 > 49 52 O 0.02129070759297 0.93750000000000 0.28321581848915 15.999 > 49 53 O 0.07430140702557 0.06250000000000 0.07425751603564 15.999 > 53 54 O 0.07430140702557 0.31250000000000 0.07425751603564 15.999 > 53 55 O 0.07430140702557 0.56250000000000 0.07425751603564 15.999 > 53 56 O 0.07430140702557 0.81250000000000 0.07425751603564 15.999 > 53 57 O 0.11735619380250 0.18750000000000 0.52049171638736 15.999 > 57 58 O 0.11735619380250 0.43750000000000 0.52049171638736 15.999 > 57 59 O 0.11735619380250 0.68750000000000 0.52049171638736 15.999 > 57 60 O 0.11735619380250 0.93750000000000 0.52049171638736 15.999 > 57 61 O 0.20790167732738 0.18750000000000 0.83943264876654 15.999 > 61 62 O 0.20790167732738 0.43750000000000 0.83943264876654 15.999 > 61 63 O 0.20790167732738 0.68750000000000 0.83943264876654 15.999 > 61 64 O 0.20790167732738 0.93750000000000 0.83943264876654 15.999 > 61 65 O 0.29209832267262 0.06250000000000 0.33943264876654 15.999 > 65 66 O 0.29209832267262 0.31250000000000 0.33943264876654 15.999 > 65 67 O 0.29209832267262 0.56250000000000 0.33943264876654 15.999 > 65 68 O 0.29209832267262 0.81250000000000 0.33943264876654 15.999 > 65 69 O 0.38264380619750 0.06250000000000 0.02049171638736 15.999 > 69 70 O 0.38264380619750 0.31250000000000 0.02049171638736 15.999 > 69 71 O 0.38264380619750 0.56250000000000 0.02049171638736 15.999 > 69 72 O 0.38264380619750 0.81250000000000 0.02049171638736 15.999 > 69 73 O 0.42569859297443 0.18750000000000 0.57425751603564 15.999 > 73 74 O 0.42569859297443 0.43750000000000 0.57425751603564 15.999 > 73 75 O 0.42569859297443 0.68750000000000 0.57425751603564 15.999 > 73 76 O 0.42569859297443 0.93750000000000 0.57425751603564 15.999 > 73 77 O 0.47870929240703 0.06250000000000 0.78321581848915 15.999 > 77 78 O 0.47870929240703 0.31250000000000 0.78321581848915 15.999 > 77 79 O 0.47870929240703 0.56250000000000 0.78321581848915 15.999 > 77 80 O 0.47870929240703 0.81250000000000 0.78321581848915 15.999 > 77 81 O 0.52129070759297 0.18750000000000 0.21678418151085 15.999 > 81 82 O 0.52129070759297 0.43750000000000 0.21678418151085 15.999 > 81 83 O 0.52129070759297 0.68750000000000 0.21678418151085 15.999 > 81 84 O 0.52129070759297 0.93750000000000 0.21678418151085 15.999 > 81 85 O 0.57430140702557 0.06250000000000 0.42574248396436 15.999 > 85 86 O 0.57430140702557 0.31250000000000 0.42574248396436 15.999 > 85 87 O 0.57430140702557 0.56250000000000 0.42574248396436 15.999 > 85 88 O 0.57430140702557 0.81250000000000 0.42574248396436 15.999 > 85 89 O 0.61735619380250 0.18750000000000 0.97950828361264 15.999 > 89 90 O 0.61735619380250 0.43750000000000 0.97950828361264 15.999 > 89 91 O 0.61735619380250 0.68750000000000 0.97950828361264 15.999 > 89 92 O 0.61735619380250 0.93750000000000 0.97950828361264 15.999 > 89 93 O 0.70790167732738 0.18750000000000 0.66056735123346 15.999 > 93 94 O 0.70790167732738 0.43750000000000 0.66056735123346 15.999 > 93 95 O 0.70790167732738 0.68750000000000 0.66056735123346 15.999 > 93 96 O 0.70790167732738 0.93750000000000 0.66056735123346 15.999 > 93 97 O 0.79209832267262 0.06250000000000 0.16056735123346 15.999 > 97 98 O 0.79209832267262 0.31250000000000 0.16056735123346 15.999 > 97 99 O 0.79209832267262 0.56250000000000 0.16056735123346 15.999 > 97 100 O 0.79209832267262 0.81250000000000 0.16056735123346 15.999 > 97 101 O 0.88264380619750 0.06250000000000 0.47950828361264 15.999 > 101 102 O 0.88264380619750 0.31250000000000 0.47950828361264 15.999 > 101 103 O 0.88264380619750 0.56250000000000 0.47950828361264 15.999 > 101 104 O 0.88264380619750 0.81250000000000 0.47950828361264 15.999 > 101 105 O 0.92569859297443 0.18750000000000 0.92574248396436 15.999 > 105 106 O 0.92569859297443 0.43750000000000 0.92574248396436 15.999 > 105 107 O 0.92569859297443 0.68750000000000 0.92574248396436 15.999 > 105 108 O 0.92569859297443 0.93750000000000 0.92574248396436 15.999 > 105 109 O 0.97870929240703 0.06250000000000 0.71678418151085 15.999 > 109 110 O 0.97870929240703 0.31250000000000 0.71678418151085 15.999 > 109 111 O 0.97870929240703 0.56250000000000 0.71678418151085 15.999 > 109 112 O 0.97870929240703 0.81250000000000 0.71678418151085 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4347724 0.0000000 0.0000000 0.0000000 4.7629908 0.0000000 0.0000000 0.0000000 4.6113188 -------------------------- Born effective charges -------------------------- 1 Sr 2.7344790 0.0000000 0.0604240 0.0000000 2.3208987 0.0000000 0.0836227 0.0000000 2.5467092 2 Sr 2.7344790 0.0000000 -0.0604240 0.0000000 2.3208987 0.0000000 -0.0836227 0.0000000 2.5467092 3 Sr 2.7344790 0.0000000 -0.0604240 0.0000000 2.3208987 0.0000000 -0.0836227 0.0000000 2.5467092 4 Sr 2.7344790 0.0000000 0.0604240 0.0000000 2.3208987 0.0000000 0.0836227 0.0000000 2.5467092 5 Sc 3.3818100 0.0000000 -0.1987565 0.0000000 4.1113358 0.0000000 -0.1157688 0.0000000 4.0670067 6 Sc 3.5281381 0.0000000 -0.3585510 0.0000000 4.3012118 0.0000000 -0.2002082 0.0000000 3.5629001 7 Sc 3.5281381 0.0000000 0.3585510 0.0000000 4.3012118 0.0000000 0.2002082 0.0000000 3.5629001 8 Sc 3.3818100 0.0000000 0.1987565 0.0000000 4.1113358 0.0000000 0.1157688 0.0000000 4.0670067 9 Sc 3.3818100 0.0000000 0.1987565 0.0000000 4.1113358 0.0000000 0.1157688 0.0000000 4.0670067 10 Sc 3.5281381 0.0000000 0.3585510 0.0000000 4.3012118 0.0000000 0.2002082 0.0000000 3.5629001 11 Sc 3.5281381 0.0000000 -0.3585510 0.0000000 4.3012118 0.0000000 -0.2002082 0.0000000 3.5629001 12 Sc 3.3818100 0.0000000 -0.1987565 0.0000000 4.1113358 0.0000000 -0.1157688 0.0000000 4.0670067 13 O -1.9732417 0.0000000 -0.3846868 0.0000000 -2.6342715 0.0000000 -0.5582465 0.0000000 -3.1494765 14 O -2.3235109 0.0000000 -0.0213001 0.0000000 -2.6918032 0.0000000 0.0867022 0.0000000 -2.5295654 15 O -2.3125978 0.0000000 0.0069213 0.0000000 -2.6883592 0.0000000 0.0386213 0.0000000 -2.5058521 16 O -3.0350767 0.0000000 0.0583112 0.0000000 -2.7190123 0.0000000 0.1010999 0.0000000 -1.9917221 17 O -3.0350767 0.0000000 -0.0583112 0.0000000 -2.7190123 0.0000000 -0.1010999 0.0000000 -1.9917221 18 O -2.3125978 0.0000000 -0.0069213 0.0000000 -2.6883592 0.0000000 -0.0386213 0.0000000 -2.5058521 19 O -2.3235109 0.0000000 0.0213001 0.0000000 -2.6918032 0.0000000 -0.0867022 0.0000000 -2.5295654 20 O -1.9732417 0.0000000 0.3846868 0.0000000 -2.6342715 0.0000000 0.5582465 0.0000000 -3.1494765 21 O -1.9732417 0.0000000 0.3846868 0.0000000 -2.6342715 0.0000000 0.5582465 0.0000000 -3.1494765 22 O -2.3235109 0.0000000 0.0213001 0.0000000 -2.6918032 0.0000000 -0.0867022 0.0000000 -2.5295654 23 O -2.3125978 0.0000000 -0.0069213 0.0000000 -2.6883592 0.0000000 -0.0386213 0.0000000 -2.5058521 24 O -3.0350767 0.0000000 -0.0583112 0.0000000 -2.7190123 0.0000000 -0.1010999 0.0000000 -1.9917221 25 O -3.0350767 0.0000000 0.0583112 0.0000000 -2.7190123 0.0000000 0.1010999 0.0000000 -1.9917221 26 O -2.3125978 0.0000000 0.0069213 0.0000000 -2.6883592 0.0000000 0.0386213 0.0000000 -2.5058521 27 O -2.3235109 0.0000000 -0.0213001 0.0000000 -2.6918032 0.0000000 0.0867022 0.0000000 -2.5295654 28 O -1.9732417 0.0000000 -0.3846868 0.0000000 -2.6342715 0.0000000 -0.5582465 0.0000000 -3.1494765 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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] Computing fc3[ 61, 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: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:12:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:12:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.177631750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): 1 Sr 0.24500864051620 0.25000000000000 0.65367645631906 87.620 2 Sr 0.25499135948380 0.75000000000000 0.15367645631905 87.620 3 Sr 0.74500864051620 0.25000000000000 0.84632354368094 87.620 4 Sr 0.75499135948380 0.75000000000000 0.34632354368094 87.620 5 Sc 0.07076607942136 0.25000000000000 0.89030254453777 44.956 6 Sc 0.07822350875887 0.25000000000000 0.39358551461180 44.956 7 Sc 0.42177649124113 0.75000000000000 0.89358551461180 44.956 8 Sc 0.42923392057864 0.75000000000000 0.39030254453777 44.956 9 Sc 0.57076607942136 0.25000000000000 0.60969745546223 44.956 10 Sc 0.57822350875887 0.25000000000000 0.10641448538820 44.956 11 Sc 0.92177649124113 0.75000000000000 0.60641448538820 44.956 12 Sc 0.92923392057864 0.75000000000000 0.10969745546223 44.956 13 O 0.02129070759297 0.75000000000000 0.28321581848915 15.999 14 O 0.07430140702557 0.25000000000000 0.07425751603564 15.999 15 O 0.11735619380250 0.75000000000000 0.52049171638736 15.999 16 O 0.20790167732738 0.75000000000000 0.83943264876654 15.999 17 O 0.29209832267262 0.25000000000000 0.33943264876654 15.999 18 O 0.38264380619750 0.25000000000000 0.02049171638736 15.999 19 O 0.42569859297443 0.75000000000000 0.57425751603564 15.999 20 O 0.47870929240703 0.25000000000000 0.78321581848915 15.999 21 O 0.52129070759297 0.75000000000000 0.21678418151085 15.999 22 O 0.57430140702557 0.25000000000000 0.42574248396436 15.999 23 O 0.61735619380250 0.75000000000000 0.97950828361264 15.999 24 O 0.70790167732738 0.75000000000000 0.66056735123346 15.999 25 O 0.79209832267262 0.25000000000000 0.16056735123346 15.999 26 O 0.88264380619750 0.25000000000000 0.47950828361264 15.999 27 O 0.92569859297443 0.75000000000000 0.92574248396436 15.999 28 O 0.97870929240703 0.25000000000000 0.71678418151085 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.646569489999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.710527000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.250217359999999 Atomic positions (fractional): 1 Sr 0.24500864051620 0.06250000000000 0.65367645631906 87.620 > 1 2 Sr 0.24500864051620 0.31250000000000 0.65367645631906 87.620 > 1 3 Sr 0.24500864051620 0.56250000000000 0.65367645631906 87.620 > 1 4 Sr 0.24500864051620 0.81250000000000 0.65367645631906 87.620 > 1 5 Sr 0.25499135948380 0.18750000000000 0.15367645631905 87.620 > 5 6 Sr 0.25499135948380 0.43750000000000 0.15367645631905 87.620 > 5 7 Sr 0.25499135948380 0.68750000000000 0.15367645631905 87.620 > 5 8 Sr 0.25499135948380 0.93750000000000 0.15367645631905 87.620 > 5 9 Sr 0.74500864051620 0.06250000000000 0.84632354368094 87.620 > 9 10 Sr 0.74500864051620 0.31250000000000 0.84632354368094 87.620 > 9 11 Sr 0.74500864051620 0.56250000000000 0.84632354368094 87.620 > 9 12 Sr 0.74500864051620 0.81250000000000 0.84632354368094 87.620 > 9 13 Sr 0.75499135948380 0.18750000000000 0.34632354368094 87.620 > 13 14 Sr 0.75499135948380 0.43750000000000 0.34632354368094 87.620 > 13 15 Sr 0.75499135948380 0.68750000000000 0.34632354368094 87.620 > 13 16 Sr 0.75499135948380 0.93750000000000 0.34632354368094 87.620 > 13 17 Sc 0.07076607942136 0.06250000000000 0.89030254453777 44.956 > 17 18 Sc 0.07076607942136 0.31250000000000 0.89030254453777 44.956 > 17 19 Sc 0.07076607942136 0.56250000000000 0.89030254453777 44.956 > 17 20 Sc 0.07076607942136 0.81250000000000 0.89030254453777 44.956 > 17 21 Sc 0.07822350875887 0.06250000000000 0.39358551461180 44.956 > 21 22 Sc 0.07822350875887 0.31250000000000 0.39358551461180 44.956 > 21 23 Sc 0.07822350875887 0.56250000000000 0.39358551461180 44.956 > 21 24 Sc 0.07822350875887 0.81250000000000 0.39358551461180 44.956 > 21 25 Sc 0.42177649124113 0.18750000000000 0.89358551461180 44.956 > 25 26 Sc 0.42177649124113 0.43750000000000 0.89358551461180 44.956 > 25 27 Sc 0.42177649124113 0.68750000000000 0.89358551461180 44.956 > 25 28 Sc 0.42177649124113 0.93750000000000 0.89358551461180 44.956 > 25 29 Sc 0.42923392057864 0.18750000000000 0.39030254453777 44.956 > 29 30 Sc 0.42923392057864 0.43750000000000 0.39030254453777 44.956 > 29 31 Sc 0.42923392057864 0.68750000000000 0.39030254453777 44.956 > 29 32 Sc 0.42923392057864 0.93750000000000 0.39030254453777 44.956 > 29 33 Sc 0.57076607942136 0.06250000000000 0.60969745546223 44.956 > 33 34 Sc 0.57076607942136 0.31250000000000 0.60969745546223 44.956 > 33 35 Sc 0.57076607942136 0.56250000000000 0.60969745546223 44.956 > 33 36 Sc 0.57076607942136 0.81250000000000 0.60969745546223 44.956 > 33 37 Sc 0.57822350875887 0.06250000000000 0.10641448538820 44.956 > 37 38 Sc 0.57822350875887 0.31250000000000 0.10641448538820 44.956 > 37 39 Sc 0.57822350875887 0.56250000000000 0.10641448538820 44.956 > 37 40 Sc 0.57822350875887 0.81250000000000 0.10641448538820 44.956 > 37 41 Sc 0.92177649124113 0.18750000000000 0.60641448538820 44.956 > 41 42 Sc 0.92177649124113 0.43750000000000 0.60641448538820 44.956 > 41 43 Sc 0.92177649124113 0.68750000000000 0.60641448538820 44.956 > 41 44 Sc 0.92177649124113 0.93750000000000 0.60641448538820 44.956 > 41 45 Sc 0.92923392057864 0.18750000000000 0.10969745546223 44.956 > 45 46 Sc 0.92923392057864 0.43750000000000 0.10969745546223 44.956 > 45 47 Sc 0.92923392057864 0.68750000000000 0.10969745546223 44.956 > 45 48 Sc 0.92923392057864 0.93750000000000 0.10969745546223 44.956 > 45 49 O 0.02129070759297 0.18750000000000 0.28321581848915 15.999 > 49 50 O 0.02129070759297 0.43750000000000 0.28321581848915 15.999 > 49 51 O 0.02129070759297 0.68750000000000 0.28321581848915 15.999 > 49 52 O 0.02129070759297 0.93750000000000 0.28321581848915 15.999 > 49 53 O 0.07430140702557 0.06250000000000 0.07425751603564 15.999 > 53 54 O 0.07430140702557 0.31250000000000 0.07425751603564 15.999 > 53 55 O 0.07430140702557 0.56250000000000 0.07425751603564 15.999 > 53 56 O 0.07430140702557 0.81250000000000 0.07425751603564 15.999 > 53 57 O 0.11735619380250 0.18750000000000 0.52049171638736 15.999 > 57 58 O 0.11735619380250 0.43750000000000 0.52049171638736 15.999 > 57 59 O 0.11735619380250 0.68750000000000 0.52049171638736 15.999 > 57 60 O 0.11735619380250 0.93750000000000 0.52049171638736 15.999 > 57 61 O 0.20790167732738 0.18750000000000 0.83943264876654 15.999 > 61 62 O 0.20790167732738 0.43750000000000 0.83943264876654 15.999 > 61 63 O 0.20790167732738 0.68750000000000 0.83943264876654 15.999 > 61 64 O 0.20790167732738 0.93750000000000 0.83943264876654 15.999 > 61 65 O 0.29209832267262 0.06250000000000 0.33943264876654 15.999 > 65 66 O 0.29209832267262 0.31250000000000 0.33943264876654 15.999 > 65 67 O 0.29209832267262 0.56250000000000 0.33943264876654 15.999 > 65 68 O 0.29209832267262 0.81250000000000 0.33943264876654 15.999 > 65 69 O 0.38264380619750 0.06250000000000 0.02049171638736 15.999 > 69 70 O 0.38264380619750 0.31250000000000 0.02049171638736 15.999 > 69 71 O 0.38264380619750 0.56250000000000 0.02049171638736 15.999 > 69 72 O 0.38264380619750 0.81250000000000 0.02049171638736 15.999 > 69 73 O 0.42569859297443 0.18750000000000 0.57425751603564 15.999 > 73 74 O 0.42569859297443 0.43750000000000 0.57425751603564 15.999 > 73 75 O 0.42569859297443 0.68750000000000 0.57425751603564 15.999 > 73 76 O 0.42569859297443 0.93750000000000 0.57425751603564 15.999 > 73 77 O 0.47870929240703 0.06250000000000 0.78321581848915 15.999 > 77 78 O 0.47870929240703 0.31250000000000 0.78321581848915 15.999 > 77 79 O 0.47870929240703 0.56250000000000 0.78321581848915 15.999 > 77 80 O 0.47870929240703 0.81250000000000 0.78321581848915 15.999 > 77 81 O 0.52129070759297 0.18750000000000 0.21678418151085 15.999 > 81 82 O 0.52129070759297 0.43750000000000 0.21678418151085 15.999 > 81 83 O 0.52129070759297 0.68750000000000 0.21678418151085 15.999 > 81 84 O 0.52129070759297 0.93750000000000 0.21678418151085 15.999 > 81 85 O 0.57430140702557 0.06250000000000 0.42574248396436 15.999 > 85 86 O 0.57430140702557 0.31250000000000 0.42574248396436 15.999 > 85 87 O 0.57430140702557 0.56250000000000 0.42574248396436 15.999 > 85 88 O 0.57430140702557 0.81250000000000 0.42574248396436 15.999 > 85 89 O 0.61735619380250 0.18750000000000 0.97950828361264 15.999 > 89 90 O 0.61735619380250 0.43750000000000 0.97950828361264 15.999 > 89 91 O 0.61735619380250 0.68750000000000 0.97950828361264 15.999 > 89 92 O 0.61735619380250 0.93750000000000 0.97950828361264 15.999 > 89 93 O 0.70790167732738 0.18750000000000 0.66056735123346 15.999 > 93 94 O 0.70790167732738 0.43750000000000 0.66056735123346 15.999 > 93 95 O 0.70790167732738 0.68750000000000 0.66056735123346 15.999 > 93 96 O 0.70790167732738 0.93750000000000 0.66056735123346 15.999 > 93 97 O 0.79209832267262 0.06250000000000 0.16056735123346 15.999 > 97 98 O 0.79209832267262 0.31250000000000 0.16056735123346 15.999 > 97 99 O 0.79209832267262 0.56250000000000 0.16056735123346 15.999 > 97 100 O 0.79209832267262 0.81250000000000 0.16056735123346 15.999 > 97 101 O 0.88264380619750 0.06250000000000 0.47950828361264 15.999 > 101 102 O 0.88264380619750 0.31250000000000 0.47950828361264 15.999 > 101 103 O 0.88264380619750 0.56250000000000 0.47950828361264 15.999 > 101 104 O 0.88264380619750 0.81250000000000 0.47950828361264 15.999 > 101 105 O 0.92569859297443 0.18750000000000 0.92574248396436 15.999 > 105 106 O 0.92569859297443 0.43750000000000 0.92574248396436 15.999 > 105 107 O 0.92569859297443 0.68750000000000 0.92574248396436 15.999 > 105 108 O 0.92569859297443 0.93750000000000 0.92574248396436 15.999 > 105 109 O 0.97870929240703 0.06250000000000 0.71678418151085 15.999 > 109 110 O 0.97870929240703 0.31250000000000 0.71678418151085 15.999 > 109 111 O 0.97870929240703 0.56250000000000 0.71678418151085 15.999 > 109 112 O 0.97870929240703 0.81250000000000 0.71678418151085 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4347724 0.0000000 0.0000000 0.0000000 4.7629908 0.0000000 0.0000000 0.0000000 4.6113188 -------------------------- Born effective charges -------------------------- 1 Sr 2.7344790 0.0000000 0.0604240 0.0000000 2.3208987 0.0000000 0.0836227 0.0000000 2.5467092 2 Sr 2.7344790 0.0000000 -0.0604240 0.0000000 2.3208987 0.0000000 -0.0836227 0.0000000 2.5467092 3 Sr 2.7344790 0.0000000 -0.0604240 0.0000000 2.3208987 0.0000000 -0.0836227 0.0000000 2.5467092 4 Sr 2.7344790 0.0000000 0.0604240 0.0000000 2.3208987 0.0000000 0.0836227 0.0000000 2.5467092 5 Sc 3.3818100 0.0000000 -0.1987565 0.0000000 4.1113358 0.0000000 -0.1157688 0.0000000 4.0670067 6 Sc 3.5281381 0.0000000 -0.3585510 0.0000000 4.3012118 0.0000000 -0.2002082 0.0000000 3.5629001 7 Sc 3.5281381 0.0000000 0.3585510 0.0000000 4.3012118 0.0000000 0.2002082 0.0000000 3.5629001 8 Sc 3.3818100 0.0000000 0.1987565 0.0000000 4.1113358 0.0000000 0.1157688 0.0000000 4.0670067 9 Sc 3.3818100 0.0000000 0.1987565 0.0000000 4.1113358 0.0000000 0.1157688 0.0000000 4.0670067 10 Sc 3.5281381 0.0000000 0.3585510 0.0000000 4.3012118 0.0000000 0.2002082 0.0000000 3.5629001 11 Sc 3.5281381 0.0000000 -0.3585510 0.0000000 4.3012118 0.0000000 -0.2002082 0.0000000 3.5629001 12 Sc 3.3818100 0.0000000 -0.1987565 0.0000000 4.1113358 0.0000000 -0.1157688 0.0000000 4.0670067 13 O -1.9732417 0.0000000 -0.3846868 0.0000000 -2.6342715 0.0000000 -0.5582465 0.0000000 -3.1494765 14 O -2.3235109 0.0000000 -0.0213001 0.0000000 -2.6918032 0.0000000 0.0867022 0.0000000 -2.5295654 15 O -2.3125978 0.0000000 0.0069213 0.0000000 -2.6883592 0.0000000 0.0386213 0.0000000 -2.5058521 16 O -3.0350767 0.0000000 0.0583112 0.0000000 -2.7190123 0.0000000 0.1010999 0.0000000 -1.9917221 17 O -3.0350767 0.0000000 -0.0583112 0.0000000 -2.7190123 0.0000000 -0.1010999 0.0000000 -1.9917221 18 O -2.3125978 0.0000000 -0.0069213 0.0000000 -2.6883592 0.0000000 -0.0386213 0.0000000 -2.5058521 19 O -2.3235109 0.0000000 0.0213001 0.0000000 -2.6918032 0.0000000 -0.0867022 0.0000000 -2.5295654 20 O -1.9732417 0.0000000 0.3846868 0.0000000 -2.6342715 0.0000000 0.5582465 0.0000000 -3.1494765 21 O -1.9732417 0.0000000 0.3846868 0.0000000 -2.6342715 0.0000000 0.5582465 0.0000000 -3.1494765 22 O -2.3235109 0.0000000 0.0213001 0.0000000 -2.6918032 0.0000000 -0.0867022 0.0000000 -2.5295654 23 O -2.3125978 0.0000000 -0.0069213 0.0000000 -2.6883592 0.0000000 -0.0386213 0.0000000 -2.5058521 24 O -3.0350767 0.0000000 -0.0583112 0.0000000 -2.7190123 0.0000000 -0.1010999 0.0000000 -1.9917221 25 O -3.0350767 0.0000000 0.0583112 0.0000000 -2.7190123 0.0000000 0.1010999 0.0000000 -1.9917221 26 O -2.3125978 0.0000000 0.0069213 0.0000000 -2.6883592 0.0000000 0.0386213 0.0000000 -2.5058521 27 O -2.3235109 0.0000000 -0.0213001 0.0000000 -2.6918032 0.0000000 0.0867022 0.0000000 -2.5295654 28 O -1.9732417 0.0000000 -0.3846868 0.0000000 -2.6342715 0.0000000 -0.5582465 0.0000000 -3.1494765 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 16 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 12.150 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 12.261 ( 0.000 0.000 0.000) 0.000 12.433 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 13.289 ( 0.000 0.000 0.000) 0.000 13.431 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 15.971 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 17.790 ( 0.000 0.000 0.000) 0.000 18.559 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 0.000) 0.000 18.776 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 40.586 0.000 0.000) 40.586 0.855 ( 40.509 0.000 0.000) 40.509 1.454 ( 69.015 0.000 0.000) 69.015 2.755 ( 2.934 0.000 0.000) 2.934 2.957 ( -20.101 0.000 0.000) 20.101 3.048 ( -0.449 0.000 0.000) 0.449 3.066 ( -20.813 0.000 0.000) 20.813 3.137 ( 4.925 0.000 0.000) 4.925 3.411 ( -0.329 0.000 0.000) 0.329 3.575 ( 2.729 0.000 0.000) 2.729 3.629 ( -1.603 0.000 0.000) 1.603 3.797 ( 0.526 0.000 0.000) 0.526 4.056 ( 0.689 0.000 0.000) 0.689 4.246 ( -5.139 0.000 0.000) 5.139 4.276 ( 0.702 0.000 0.000) 0.702 4.538 ( 16.218 0.000 0.000) 16.218 4.559 ( -7.951 0.000 0.000) 7.951 4.605 ( 4.154 0.000 0.000) 4.154 4.644 ( 2.874 0.000 0.000) 2.874 4.969 ( -13.526 0.000 0.000) 13.526 5.161 ( 1.792 0.000 0.000) 1.792 5.358 ( -2.194 0.000 0.000) 2.194 5.472 ( -0.857 0.000 0.000) 0.857 5.715 ( -9.697 0.000 0.000) 9.697 6.008 ( 11.895 0.000 0.000) 11.895 6.192 ( 8.486 0.000 0.000) 8.486 6.680 ( -8.041 0.000 0.000) 8.041 6.970 ( -17.154 0.000 0.000) 17.154 7.609 ( 1.474 0.000 0.000) 1.474 7.683 ( -6.700 0.000 0.000) 6.700 7.824 ( 9.378 0.000 0.000) 9.378 7.926 ( -3.881 0.000 0.000) 3.881 8.054 ( -6.311 0.000 0.000) 6.311 8.278 ( -1.528 0.000 0.000) 1.528 8.281 ( 6.050 0.000 0.000) 6.050 8.611 ( -1.536 0.000 0.000) 1.536 8.655 ( 1.399 0.000 0.000) 1.399 8.692 ( -6.727 0.000 0.000) 6.727 8.867 ( -3.535 0.000 0.000) 3.535 9.141 ( -3.628 0.000 0.000) 3.628 9.173 ( -2.827 0.000 0.000) 2.827 9.184 ( 4.872 0.000 0.000) 4.872 9.554 ( 10.266 0.000 0.000) 10.266 9.565 ( -25.002 0.000 0.000) 25.002 9.663 ( 6.047 0.000 0.000) 6.047 9.787 ( -4.356 0.000 0.000) 4.356 10.229 ( 1.820 0.000 0.000) 1.820 10.440 ( -7.036 0.000 0.000) 7.036 10.454 ( -6.034 0.000 0.000) 6.034 10.535 ( 7.714 0.000 0.000) 7.714 10.713 ( 4.693 0.000 0.000) 4.693 10.833 ( 0.817 0.000 0.000) 0.817 10.838 ( 0.708 0.000 0.000) 0.708 10.928 ( 5.788 0.000 0.000) 5.788 11.058 ( 9.232 0.000 0.000) 9.232 11.271 ( 10.734 0.000 0.000) 10.734 11.722 ( 0.492 0.000 0.000) 0.492 11.760 ( -0.391 0.000 0.000) 0.391 11.769 ( 0.174 0.000 0.000) 0.174 11.781 ( -0.111 0.000 0.000) 0.111 11.832 ( 1.228 0.000 0.000) 1.228 11.921 ( 17.345 0.000 0.000) 17.345 12.154 ( 0.360 0.000 0.000) 0.360 12.185 ( -0.317 0.000 0.000) 0.317 12.190 ( -7.024 0.000 0.000) 7.024 12.442 ( 1.735 0.000 0.000) 1.735 12.794 ( -0.296 0.000 0.000) 0.296 13.175 ( -2.242 0.000 0.000) 2.242 13.470 ( 2.261 0.000 0.000) 2.261 13.592 ( -4.474 0.000 0.000) 4.474 14.208 ( 3.793 0.000 0.000) 3.793 14.229 ( 0.034 0.000 0.000) 0.034 15.898 ( -4.010 0.000 0.000) 4.010 15.999 ( 1.849 0.000 0.000) 1.849 16.121 ( -9.932 0.000 0.000) 9.932 16.454 ( -13.548 0.000 0.000) 13.548 17.613 ( 8.007 0.000 0.000) 8.007 17.695 ( 12.267 0.000 0.000) 12.267 17.799 ( 1.290 0.000 0.000) 1.290 18.410 ( -10.002 0.000 0.000) 10.002 18.660 ( -3.825 0.000 0.000) 3.825 18.672 ( -1.696 0.000 0.000) 1.696 18.852 ( 5.018 0.000 0.000) 5.018 19.081 ( 1.361 0.000 0.000) 1.361 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 37.121 0.000 0.000) 37.121 1.675 ( 38.879 0.000 0.000) 38.879 2.376 ( -30.959 0.000 0.000) 30.959 2.435 ( -31.213 0.000 0.000) 31.213 2.846 ( 56.693 0.000 0.000) 56.693 2.901 ( 6.147 0.000 0.000) 6.147 3.010 ( -3.653 0.000 0.000) 3.653 3.246 ( 4.342 0.000 0.000) 4.342 3.377 ( -0.265 0.000 0.000) 0.265 3.597 ( -0.095 0.000 0.000) 0.095 3.599 ( -0.799 0.000 0.000) 0.799 4.004 ( 14.184 0.000 0.000) 14.184 4.006 ( -38.868 0.000 0.000) 38.868 4.083 ( 2.105 0.000 0.000) 2.105 4.147 ( -4.025 0.000 0.000) 4.025 4.278 ( -11.335 0.000 0.000) 11.335 4.676 ( 2.302 0.000 0.000) 2.302 4.691 ( 0.996 0.000 0.000) 0.996 4.717 ( 1.453 0.000 0.000) 1.453 4.737 ( -5.267 0.000 0.000) 5.267 5.217 ( 3.491 0.000 0.000) 3.491 5.295 ( -3.656 0.000 0.000) 3.656 5.521 ( 5.387 0.000 0.000) 5.387 5.597 ( -1.144 0.000 0.000) 1.144 6.173 ( 1.081 0.000 0.000) 1.081 6.270 ( 4.461 0.000 0.000) 4.461 6.655 ( -2.986 0.000 0.000) 2.986 6.808 ( 1.362 0.000 0.000) 1.362 7.480 ( -4.755 0.000 0.000) 4.755 7.571 ( -5.544 0.000 0.000) 5.544 7.854 ( 1.950 0.000 0.000) 1.950 7.899 ( 0.504 0.000 0.000) 0.504 8.001 ( -0.947 0.000 0.000) 0.947 8.115 ( -12.783 0.000 0.000) 12.783 8.413 ( 4.840 0.000 0.000) 4.840 8.521 ( -6.914 0.000 0.000) 6.914 8.701 ( 3.005 0.000 0.000) 3.005 8.754 ( 13.496 0.000 0.000) 13.496 8.779 ( -4.392 0.000 0.000) 4.392 9.063 ( -15.557 0.000 0.000) 15.557 9.103 ( -0.286 0.000 0.000) 0.286 9.121 ( -1.840 0.000 0.000) 1.840 9.427 ( 9.098 0.000 0.000) 9.098 9.634 ( -9.496 0.000 0.000) 9.496 9.749 ( 6.959 0.000 0.000) 6.959 9.782 ( 3.734 0.000 0.000) 3.734 10.311 ( -4.122 0.000 0.000) 4.122 10.322 ( -5.049 0.000 0.000) 5.049 10.355 ( 8.948 0.000 0.000) 8.948 10.533 ( -6.456 0.000 0.000) 6.456 10.793 ( 3.004 0.000 0.000) 3.004 10.834 ( -0.913 0.000 0.000) 0.913 10.873 ( 3.667 0.000 0.000) 3.667 10.951 ( -2.627 0.000 0.000) 2.627 11.324 ( 14.036 0.000 0.000) 14.036 11.487 ( 3.644 0.000 0.000) 3.644 11.735 ( 0.700 0.000 0.000) 0.700 11.749 ( -0.617 0.000 0.000) 0.617 11.773 ( 0.205 0.000 0.000) 0.205 11.777 ( -0.188 0.000 0.000) 0.188 11.808 ( 0.846 0.000 0.000) 0.846 11.982 ( -11.627 0.000 0.000) 11.627 12.164 ( 0.557 0.000 0.000) 0.557 12.176 ( -0.531 0.000 0.000) 0.531 12.328 ( 17.069 0.000 0.000) 17.069 12.492 ( 0.431 0.000 0.000) 0.431 12.848 ( 6.156 0.000 0.000) 6.156 13.048 ( -10.345 0.000 0.000) 10.345 13.490 ( -0.052 0.000 0.000) 0.052 13.505 ( -2.506 0.000 0.000) 2.506 14.260 ( 2.513 0.000 0.000) 2.513 14.279 ( 1.692 0.000 0.000) 1.692 15.829 ( -1.187 0.000 0.000) 1.187 15.904 ( -8.606 0.000 0.000) 8.606 16.061 ( 4.576 0.000 0.000) 4.576 16.204 ( -9.514 0.000 0.000) 9.514 17.762 ( 5.039 0.000 0.000) 5.039 17.814 ( -0.405 0.000 0.000) 0.405 17.962 ( 12.671 0.000 0.000) 12.671 18.200 ( -10.366 0.000 0.000) 10.366 18.599 ( -1.525 0.000 0.000) 1.525 18.612 ( -2.668 0.000 0.000) 2.668 18.968 ( 5.839 0.000 0.000) 5.839 19.067 ( -3.013 0.000 0.000) 3.013 ======================= Grid point 5 (4/81) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 40.910 0.000) 40.910 0.855 ( 0.000 42.789 0.000) 42.789 1.627 ( 0.000 79.716 0.000) 79.716 2.977 ( 0.000 24.123 0.000) 24.123 3.113 ( 0.000 3.310 0.000) 3.310 3.189 ( 0.000 12.473 0.000) 12.473 3.305 ( 0.000 3.852 0.000) 3.852 3.369 ( 0.000 14.245 0.000) 14.245 3.390 ( 0.000 3.306 0.000) 3.306 3.815 ( 0.000 27.183 0.000) 27.183 3.915 ( 0.000 23.403 0.000) 23.403 4.023 ( 0.000 0.745 0.000) 0.745 4.076 ( 0.000 1.010 0.000) 1.010 4.194 ( 0.000 7.434 0.000) 7.434 4.396 ( 0.000 13.257 0.000) 13.257 4.528 ( 0.000 18.600 0.000) 18.600 4.729 ( 0.000 15.096 0.000) 15.096 4.803 ( 0.000 24.784 0.000) 24.784 4.871 ( 0.000 22.805 0.000) 22.805 5.076 ( 0.000 4.557 0.000) 4.557 5.502 ( 0.000 0.990 0.000) 0.990 5.565 ( 0.000 28.684 0.000) 28.684 5.638 ( 0.000 24.800 0.000) 24.800 5.883 ( 0.000 4.491 0.000) 4.491 5.989 ( 0.000 18.327 0.000) 18.327 6.024 ( 0.000 7.445 0.000) 7.445 6.595 ( 0.000 0.571 0.000) 0.571 6.969 ( 0.000 -2.870 0.000) 2.870 7.552 ( 0.000 1.168 0.000) 1.168 7.601 ( 0.000 3.043 0.000) 3.043 7.755 ( 0.000 1.793 0.000) 1.793 7.981 ( 0.000 -1.502 0.000) 1.502 8.130 ( 0.000 -0.871 0.000) 0.871 8.186 ( 0.000 -3.479 0.000) 3.479 8.265 ( 0.000 0.633 0.000) 0.633 8.563 ( 0.000 -9.693 0.000) 9.693 8.710 ( 0.000 -4.002 0.000) 4.002 8.866 ( 0.000 -4.840 0.000) 4.840 9.118 ( 0.000 18.174 0.000) 18.174 9.397 ( 0.000 14.479 0.000) 14.479 9.420 ( 0.000 17.475 0.000) 17.475 9.498 ( 0.000 7.630 0.000) 7.630 9.644 ( 0.000 5.592 0.000) 5.592 9.914 ( 0.000 10.467 0.000) 10.467 10.006 ( 0.000 -4.894 0.000) 4.894 10.242 ( 0.000 -0.281 0.000) 0.281 10.280 ( 0.000 1.797 0.000) 1.797 10.309 ( 0.000 7.003 0.000) 7.003 10.513 ( 0.000 2.657 0.000) 2.657 10.532 ( 0.000 -2.379 0.000) 2.379 10.622 ( 0.000 -1.033 0.000) 1.033 10.809 ( 0.000 0.265 0.000) 0.265 10.853 ( 0.000 2.253 0.000) 2.253 10.984 ( 0.000 3.394 0.000) 3.394 11.005 ( 0.000 16.255 0.000) 16.255 11.639 ( 0.000 -5.224 0.000) 5.224 11.660 ( 0.000 -5.836 0.000) 5.836 11.693 ( 0.000 -4.445 0.000) 4.445 11.722 ( 0.000 0.696 0.000) 0.696 11.739 ( 0.000 -2.420 0.000) 2.420 11.806 ( 0.000 1.339 0.000) 1.339 11.883 ( 0.000 6.365 0.000) 6.365 12.159 ( 0.000 -2.554 0.000) 2.554 12.226 ( 0.000 6.765 0.000) 6.765 12.281 ( 0.000 2.142 0.000) 2.142 12.401 ( 0.000 -3.264 0.000) 3.264 12.807 ( 0.000 -0.580 0.000) 0.580 13.275 ( 0.000 -1.430 0.000) 1.430 13.448 ( 0.000 1.167 0.000) 1.167 13.586 ( 0.000 -5.552 0.000) 5.552 14.207 ( 0.000 -2.948 0.000) 2.948 14.207 ( 0.000 4.309 0.000) 4.309 15.882 ( 0.000 -8.515 0.000) 8.515 15.906 ( 0.000 -6.498 0.000) 6.498 16.153 ( 0.000 -8.429 0.000) 8.429 16.530 ( 0.000 -10.909 0.000) 10.909 17.464 ( 0.000 -4.683 0.000) 4.683 17.500 ( 0.000 -3.257 0.000) 3.257 17.717 ( 0.000 -7.372 0.000) 7.372 18.479 ( 0.000 -7.959 0.000) 7.959 18.649 ( 0.000 -7.697 0.000) 7.697 18.668 ( 0.000 -10.633 0.000) 10.633 18.794 ( 0.000 -8.887 0.000) 8.887 18.993 ( 0.000 -3.553 0.000) 3.553 ======================= Grid point 6 (5/81) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 27.630 29.408 0.000) 40.351 1.307 ( 34.368 28.200 0.000) 44.457 2.075 ( 40.039 57.075 0.000) 69.719 3.006 ( 2.139 21.757 0.000) 21.862 3.111 ( -17.159 5.218 0.000) 17.935 3.135 ( -12.539 13.346 0.000) 18.312 3.197 ( 0.332 9.454 0.000) 9.459 3.207 ( -1.973 14.512 0.000) 14.645 3.423 ( 0.238 1.817 0.000) 1.833 3.824 ( -0.607 22.595 0.000) 22.603 3.825 ( 1.374 4.914 0.000) 5.102 3.909 ( -1.148 24.671 0.000) 24.698 4.119 ( 3.803 2.366 0.000) 4.479 4.418 ( 0.420 15.464 0.000) 15.470 4.456 ( -1.681 17.152 0.000) 17.234 4.570 ( 13.018 6.547 0.000) 14.571 4.638 ( -9.157 13.007 0.000) 15.907 4.855 ( 4.875 23.254 0.000) 23.759 4.880 ( -3.723 12.272 0.000) 12.825 5.012 ( -1.419 16.906 0.000) 16.965 5.471 ( -1.154 1.514 0.000) 1.904 5.499 ( -1.737 27.907 0.000) 27.961 5.633 ( -1.030 25.564 0.000) 25.584 5.755 ( -10.211 5.012 0.000) 11.375 6.100 ( 9.386 12.455 0.000) 15.596 6.245 ( 6.013 5.974 0.000) 8.476 6.664 ( 0.522 -8.526 0.000) 8.542 6.695 ( -5.455 1.817 0.000) 5.750 7.600 ( -0.084 2.647 0.000) 2.648 7.698 ( -4.522 1.501 0.000) 4.765 7.766 ( 4.629 -3.697 0.000) 5.925 7.904 ( -4.831 -1.809 0.000) 5.159 8.037 ( -6.184 -1.522 0.000) 6.369 8.239 ( 5.160 -3.529 0.000) 6.251 8.273 ( -2.606 -0.450 0.000) 2.644 8.539 ( 1.391 -5.807 0.000) 5.971 8.613 ( -7.616 -3.369 0.000) 8.328 8.887 ( 1.373 -2.342 0.000) 2.714 9.100 ( -1.080 18.389 0.000) 18.421 9.345 ( -3.980 18.117 0.000) 18.549 9.377 ( -1.600 15.648 0.000) 15.730 9.543 ( -25.183 -1.876 0.000) 25.253 9.616 ( 8.230 5.631 0.000) 9.972 9.719 ( 5.423 6.663 0.000) 8.591 9.883 ( -21.440 32.452 0.000) 38.895 9.889 ( -3.740 10.686 0.000) 11.322 10.288 ( 1.908 6.571 0.000) 6.843 10.441 ( -6.413 -0.538 0.000) 6.435 10.490 ( -4.819 2.835 0.000) 5.591 10.539 ( 7.968 0.476 0.000) 7.983 10.722 ( 6.069 0.843 0.000) 6.127 10.823 ( -0.199 0.355 0.000) 0.407 10.955 ( 6.935 2.802 0.000) 7.479 10.973 ( -1.473 14.845 0.000) 14.918 11.076 ( 7.215 1.765 0.000) 7.428 11.325 ( -1.561 0.141 0.000) 1.568 11.681 ( 1.184 -4.712 0.000) 4.858 11.734 ( -0.491 -2.637 0.000) 2.682 11.767 ( 0.944 -0.810 0.000) 1.244 11.811 ( 1.844 3.152 0.000) 3.652 11.913 ( 14.032 -0.481 0.000) 14.041 11.924 ( -0.009 6.729 0.000) 6.729 12.137 ( -2.648 -2.765 0.000) 3.828 12.163 ( -1.346 3.448 0.000) 3.702 12.239 ( -3.459 3.378 0.000) 4.835 12.422 ( 2.635 -2.094 0.000) 3.366 12.791 ( -0.122 -0.254 0.000) 0.282 13.186 ( -5.029 0.020 0.000) 5.029 13.483 ( 1.968 0.787 0.000) 2.119 13.546 ( -4.172 -4.932 0.000) 6.460 14.207 ( 0.545 -2.222 0.000) 2.288 14.236 ( 2.506 2.943 0.000) 3.865 15.818 ( -4.280 -8.153 0.000) 9.208 15.934 ( 1.980 -6.476 0.000) 6.772 16.033 ( -10.175 -8.872 0.000) 13.499 16.369 ( -12.118 -8.608 0.000) 14.865 17.559 ( 7.613 -5.682 0.000) 9.499 17.662 ( 12.775 -2.760 0.000) 13.070 17.735 ( 1.437 -6.931 0.000) 7.078 18.365 ( -8.425 -5.983 0.000) 10.333 18.567 ( -4.196 -9.247 0.000) 10.155 18.695 ( -8.484 -0.049 0.000) 8.484 18.751 ( 4.678 -9.796 0.000) 10.855 18.956 ( 0.579 -10.719 0.000) 10.735 ======================= Grid point 7 (6/81) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 33.774 16.603 0.000) 37.634 2.008 ( 32.488 26.417 0.000) 41.873 2.538 ( -30.811 10.216 0.000) 32.461 2.640 ( -27.768 22.391 0.000) 35.671 3.073 ( 45.145 23.388 0.000) 50.844 3.105 ( 4.414 18.302 0.000) 18.826 3.181 ( -1.068 15.802 0.000) 15.838 3.309 ( 5.149 6.741 0.000) 8.482 3.407 ( -0.467 3.412 0.000) 3.444 3.753 ( -8.870 12.420 0.000) 15.262 3.902 ( 2.565 29.415 0.000) 29.527 4.032 ( 12.907 3.039 0.000) 13.260 4.171 ( -9.803 11.360 0.000) 15.005 4.231 ( -15.590 14.208 0.000) 21.093 4.384 ( -3.203 22.058 0.000) 22.289 4.400 ( -7.231 20.063 0.000) 21.327 4.707 ( 1.147 4.435 0.000) 4.580 4.746 ( -5.182 6.138 0.000) 8.033 4.966 ( 3.616 23.023 0.000) 23.306 5.002 ( -0.852 25.392 0.000) 25.406 5.510 ( 1.527 27.000 0.000) 27.043 5.512 ( 3.770 6.032 0.000) 7.113 5.597 ( -1.328 22.379 0.000) 22.418 5.614 ( -1.056 2.538 0.000) 2.749 6.181 ( -1.249 1.776 0.000) 2.171 6.255 ( -1.023 0.233 0.000) 1.049 6.653 ( 7.101 3.023 0.000) 7.717 6.842 ( 1.573 3.903 0.000) 4.208 7.501 ( -5.198 2.506 0.000) 5.771 7.566 ( -4.211 1.194 0.000) 4.377 7.792 ( 2.543 -4.328 0.000) 5.020 7.848 ( -0.937 -3.005 0.000) 3.148 7.980 ( -0.640 -1.545 0.000) 1.673 8.097 ( -12.237 -1.514 0.000) 12.331 8.350 ( 4.545 -3.968 0.000) 6.034 8.453 ( -6.348 -2.986 0.000) 7.015 8.681 ( 10.248 -3.114 0.000) 10.710 8.868 ( -5.573 1.962 0.000) 5.908 9.094 ( 0.801 16.631 0.000) 16.650 9.163 ( -8.485 4.265 0.000) 9.496 9.301 ( 0.015 19.025 0.000) 19.025 9.341 ( -2.984 17.903 0.000) 18.150 9.646 ( -1.237 26.628 0.000) 26.657 9.710 ( -3.296 9.248 0.000) 9.817 9.840 ( 2.893 9.198 0.000) 9.642 9.840 ( 4.262 5.341 0.000) 6.833 10.319 ( -3.242 0.424 0.000) 3.270 10.353 ( -6.146 2.762 0.000) 6.738 10.409 ( 7.537 5.560 0.000) 9.366 10.553 ( -4.879 1.880 0.000) 5.229 10.823 ( 3.323 2.447 0.000) 4.127 10.842 ( 1.456 0.639 0.000) 1.590 10.960 ( 0.527 9.933 0.000) 9.947 10.997 ( -1.757 5.516 0.000) 5.789 11.299 ( 11.779 -2.362 0.000) 12.013 11.416 ( 2.722 -5.871 0.000) 6.472 11.692 ( -0.246 -3.945 0.000) 3.952 11.704 ( -2.124 -2.817 0.000) 3.528 11.782 ( 1.374 0.668 0.000) 1.528 11.828 ( -1.936 3.650 0.000) 4.131 11.891 ( 1.830 5.985 0.000) 6.258 12.012 ( -7.666 1.652 0.000) 7.842 12.164 ( 0.644 1.063 0.000) 1.243 12.182 ( -0.848 1.181 0.000) 1.454 12.293 ( 16.236 -2.964 0.000) 16.504 12.474 ( -0.587 -2.023 0.000) 2.106 12.845 ( 5.856 -0.317 0.000) 5.864 13.034 ( -10.265 -1.403 0.000) 10.360 13.474 ( -1.159 -3.285 0.000) 3.484 13.489 ( -1.239 -0.491 0.000) 1.332 14.247 ( 2.880 -1.211 0.000) 3.124 14.280 ( 0.603 0.286 0.000) 0.667 15.748 ( -1.207 -8.152 0.000) 8.241 15.818 ( -8.248 -8.637 0.000) 11.943 15.998 ( 4.594 -6.308 0.000) 7.804 16.138 ( -9.113 -6.641 0.000) 11.276 17.701 ( 4.939 -6.254 0.000) 7.969 17.753 ( -0.329 -6.413 0.000) 6.422 17.945 ( 13.422 -1.371 0.000) 13.492 18.184 ( -9.434 -2.190 0.000) 9.685 18.501 ( -1.450 -9.590 0.000) 9.699 18.539 ( -5.411 -6.607 0.000) 8.540 18.856 ( 5.203 -10.876 0.000) 12.057 18.944 ( -2.582 -11.823 0.000) 12.102 ======================= Grid point 10 (7/81) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 38.841 0.000) 38.841 1.666 ( 0.000 39.197 0.000) 39.197 3.043 ( 0.000 59.365 0.000) 59.365 3.209 ( 0.000 6.300 0.000) 6.300 3.344 ( 0.000 4.984 0.000) 4.984 3.499 ( 0.000 10.052 0.000) 10.052 3.527 ( 0.000 28.671 0.000) 28.671 3.580 ( 0.000 20.875 0.000) 20.875 3.735 ( 0.000 21.564 0.000) 21.564 4.015 ( 0.000 0.016 0.000) 0.016 4.047 ( 0.000 -0.456 0.000) 0.456 4.286 ( 0.000 11.024 0.000) 11.024 4.418 ( 0.000 15.135 0.000) 15.135 4.608 ( 0.000 45.501 0.000) 45.501 4.855 ( 0.000 37.630 0.000) 37.630 4.923 ( 0.000 19.663 0.000) 19.663 5.140 ( 0.000 10.057 0.000) 10.057 5.206 ( 0.000 27.900 0.000) 27.900 5.365 ( 0.000 20.861 0.000) 20.861 5.480 ( 0.000 23.570 0.000) 23.570 5.607 ( 0.000 18.378 0.000) 18.378 6.100 ( 0.000 21.314 0.000) 21.314 6.207 ( 0.000 31.995 0.000) 31.995 6.277 ( 0.000 35.407 0.000) 35.407 6.284 ( 0.000 20.300 0.000) 20.300 6.427 ( 0.000 16.716 0.000) 16.716 6.771 ( 0.000 29.143 0.000) 29.143 6.941 ( 0.000 3.226 0.000) 3.226 7.628 ( 0.000 7.414 0.000) 7.414 7.694 ( 0.000 6.482 0.000) 6.482 7.845 ( 0.000 7.649 0.000) 7.649 7.939 ( 0.000 -2.602 0.000) 2.602 8.111 ( 0.000 -3.420 0.000) 3.420 8.130 ( 0.000 2.331 0.000) 2.331 8.282 ( 0.000 1.046 0.000) 1.046 8.353 ( 0.000 -10.827 0.000) 10.827 8.624 ( 0.000 -3.985 0.000) 3.985 8.792 ( 0.000 -2.514 0.000) 2.514 9.451 ( 0.000 12.423 0.000) 12.423 9.650 ( 0.000 7.735 0.000) 7.735 9.651 ( 0.000 9.102 0.000) 9.102 9.703 ( 0.000 -1.522 0.000) 1.522 9.790 ( 0.000 17.659 0.000) 17.659 9.863 ( 0.000 -9.001 0.000) 9.001 10.213 ( 0.000 17.556 0.000) 17.556 10.337 ( 0.000 10.525 0.000) 10.525 10.350 ( 0.000 5.248 0.000) 5.248 10.453 ( 0.000 -5.451 0.000) 5.451 10.551 ( 0.000 16.911 0.000) 16.911 10.561 ( 0.000 -5.016 0.000) 5.016 10.582 ( 0.000 4.199 0.000) 4.199 10.839 ( 0.000 3.174 0.000) 3.174 10.933 ( 0.000 6.320 0.000) 6.320 11.054 ( 0.000 3.129 0.000) 3.129 11.309 ( 0.000 8.427 0.000) 8.427 11.528 ( 0.000 -6.790 0.000) 6.790 11.532 ( 0.000 -5.733 0.000) 5.733 11.618 ( 0.000 -2.448 0.000) 2.448 11.741 ( 0.000 0.729 0.000) 0.729 11.741 ( 0.000 7.556 0.000) 7.556 11.835 ( 0.000 2.005 0.000) 2.005 12.021 ( 0.000 7.350 0.000) 7.350 12.108 ( 0.000 -2.007 0.000) 2.007 12.311 ( 0.000 -5.581 0.000) 5.581 12.362 ( 0.000 6.499 0.000) 6.499 12.383 ( 0.000 8.538 0.000) 8.538 12.802 ( 0.000 0.411 0.000) 0.411 13.240 ( 0.000 -1.788 0.000) 1.788 13.437 ( 0.000 -9.081 0.000) 9.081 13.456 ( 0.000 -0.590 0.000) 0.590 14.122 ( 0.000 -5.701 0.000) 5.701 14.319 ( 0.000 6.142 0.000) 6.142 15.643 ( 0.000 -15.366 0.000) 15.366 15.724 ( 0.000 -11.764 0.000) 11.764 15.912 ( 0.000 -15.792 0.000) 15.792 16.213 ( 0.000 -21.062 0.000) 21.062 17.358 ( 0.000 -5.409 0.000) 5.409 17.413 ( 0.000 -5.332 0.000) 5.332 17.508 ( 0.000 -13.582 0.000) 13.582 18.261 ( 0.000 -13.656 0.000) 13.656 18.378 ( 0.000 -18.174 0.000) 18.174 18.445 ( 0.000 -12.318 0.000) 12.318 18.559 ( 0.000 -14.317 0.000) 14.317 18.886 ( 0.000 -7.402 0.000) 7.402 ======================= Grid point 11 (8/81) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 15.715 34.032 0.000) 37.485 1.884 ( 24.812 30.533 0.000) 39.344 3.209 ( 6.507 38.483 0.000) 39.029 3.256 ( 3.559 7.155 0.000) 7.991 3.256 ( -4.688 16.058 0.000) 16.729 3.493 ( -0.046 13.899 0.000) 13.899 3.524 ( -8.445 21.060 0.000) 22.690 3.583 ( -3.816 25.789 0.000) 26.070 3.598 ( 1.579 20.568 0.000) 20.628 3.931 ( 2.733 6.533 0.000) 7.082 4.150 ( 6.805 3.306 0.000) 7.565 4.212 ( -6.796 11.874 0.000) 13.682 4.552 ( 3.493 26.198 0.000) 26.430 4.726 ( 10.962 29.958 0.000) 31.901 4.857 ( -1.414 27.169 0.000) 27.206 4.933 ( 1.087 21.630 0.000) 21.657 5.062 ( -6.372 22.451 0.000) 23.338 5.151 ( -3.512 25.343 0.000) 25.585 5.380 ( 2.976 19.032 0.000) 19.264 5.516 ( 3.353 21.455 0.000) 21.716 5.581 ( -1.862 18.801 0.000) 18.893 5.981 ( -11.521 24.352 0.000) 26.940 6.127 ( 0.102 28.351 0.000) 28.351 6.297 ( 1.118 35.785 0.000) 35.802 6.407 ( -2.545 12.672 0.000) 12.925 6.493 ( -0.159 22.804 0.000) 22.804 6.786 ( 1.986 28.060 0.000) 28.130 6.788 ( 1.948 9.409 0.000) 9.609 7.684 ( 1.505 -1.338 0.000) 2.014 7.703 ( 0.092 7.960 0.000) 7.960 7.817 ( -6.666 8.468 0.000) 10.777 7.856 ( -5.398 -3.009 0.000) 6.180 8.013 ( -5.721 0.082 0.000) 5.721 8.175 ( 5.391 -1.917 0.000) 5.721 8.262 ( -4.795 -0.633 0.000) 4.836 8.424 ( 6.676 -5.119 0.000) 8.413 8.539 ( -6.546 -3.465 0.000) 7.406 8.841 ( 4.378 -1.432 0.000) 4.606 9.395 ( -4.201 9.314 0.000) 10.217 9.452 ( -18.565 -5.276 0.000) 19.300 9.704 ( -1.724 12.955 0.000) 13.069 9.706 ( -3.379 15.258 0.000) 15.628 9.763 ( 6.615 8.660 0.000) 10.898 9.803 ( 3.536 1.530 0.000) 3.853 10.191 ( -2.657 18.237 0.000) 18.430 10.258 ( -2.119 12.571 0.000) 12.749 10.395 ( -4.851 -4.131 0.000) 6.371 10.505 ( 3.004 13.823 0.000) 14.146 10.532 ( 0.423 1.341 0.000) 1.406 10.579 ( 2.482 4.210 0.000) 4.887 10.743 ( 8.272 2.146 0.000) 8.546 10.847 ( -0.214 2.533 0.000) 2.542 11.035 ( 8.613 4.663 0.000) 9.794 11.136 ( 5.813 5.038 0.000) 7.692 11.243 ( -1.460 -2.090 0.000) 2.549 11.382 ( -6.618 17.817 0.000) 19.006 11.544 ( 2.068 -8.139 0.000) 8.398 11.658 ( 0.786 -5.025 0.000) 5.086 11.756 ( 0.805 -0.469 0.000) 0.931 11.834 ( 4.568 1.223 0.000) 4.728 11.906 ( 7.453 -0.360 0.000) 7.462 12.038 ( -0.474 5.420 0.000) 5.440 12.095 ( -1.032 -0.869 0.000) 1.349 12.317 ( -4.510 9.842 0.000) 10.826 12.340 ( -1.914 7.148 0.000) 7.399 12.360 ( 4.304 -4.003 0.000) 5.878 12.789 ( -0.141 0.309 0.000) 0.340 13.167 ( -6.057 -1.534 0.000) 6.248 13.404 ( -3.131 -8.905 0.000) 9.439 13.477 ( 0.842 -1.771 0.000) 1.961 14.143 ( 2.310 -4.220 0.000) 4.811 14.319 ( -0.072 4.974 0.000) 4.974 15.587 ( -4.133 -14.939 0.000) 15.500 15.752 ( 2.251 -11.721 0.000) 11.935 15.779 ( -10.659 -16.702 0.000) 19.814 16.119 ( -7.864 -16.633 0.000) 18.399 17.404 ( 5.539 -9.332 0.000) 10.852 17.531 ( 1.934 -13.412 0.000) 13.551 17.603 ( 14.158 -3.069 0.000) 14.487 18.181 ( -5.725 -12.003 0.000) 13.299 18.310 ( -4.342 -16.377 0.000) 16.943 18.498 ( 3.382 -14.900 0.000) 15.279 18.579 ( -0.918 -12.936 0.000) 12.968 18.751 ( -9.774 -8.251 0.000) 12.791 ======================= Grid point 12 (9/81) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 24.028 23.961 0.000) 33.934 2.483 ( 28.765 21.529 0.000) 35.929 2.810 ( -23.377 16.274 0.000) 28.484 3.080 ( -23.334 20.002 0.000) 30.734 3.403 ( 3.349 9.237 0.000) 9.826 3.443 ( 0.987 5.927 0.000) 6.008 3.603 ( 4.282 21.616 0.000) 22.036 3.611 ( 1.423 23.133 0.000) 23.177 3.687 ( 14.369 31.510 0.000) 34.631 4.006 ( -12.793 13.082 0.000) 18.297 4.126 ( 11.610 7.589 0.000) 13.870 4.255 ( 0.915 6.438 0.000) 6.503 4.609 ( 2.701 27.330 0.000) 27.464 4.709 ( -8.696 18.322 0.000) 20.281 4.879 ( 5.621 34.724 0.000) 35.176 4.972 ( 2.560 25.369 0.000) 25.497 5.011 ( -1.669 39.375 0.000) 39.410 5.050 ( -7.064 27.431 0.000) 28.326 5.513 ( 5.764 27.113 0.000) 27.719 5.564 ( -0.282 22.420 0.000) 22.422 5.572 ( 3.490 6.351 0.000) 7.247 5.709 ( -10.081 14.508 0.000) 17.667 6.178 ( 4.403 30.301 0.000) 30.619 6.278 ( -3.771 30.648 0.000) 30.879 6.321 ( -3.968 16.184 0.000) 16.663 6.333 ( -5.892 22.041 0.000) 22.815 6.889 ( 8.049 22.817 0.000) 24.195 6.995 ( 4.122 12.589 0.000) 13.247 7.592 ( -4.324 5.981 0.000) 7.381 7.645 ( -5.074 6.588 0.000) 8.316 7.748 ( 3.249 1.947 0.000) 3.788 7.807 ( -0.393 -0.067 0.000) 0.399 7.959 ( -0.575 0.080 0.000) 0.580 8.066 ( -11.351 -1.450 0.000) 11.443 8.287 ( 4.990 -1.764 0.000) 5.293 8.399 ( -6.248 -2.169 0.000) 6.614 8.626 ( 11.995 -2.098 0.000) 12.177 8.867 ( -7.526 -0.168 0.000) 7.528 9.181 ( -0.961 -1.712 0.000) 1.964 9.285 ( -6.425 3.791 0.000) 7.460 9.651 ( -0.733 14.208 0.000) 14.227 9.666 ( -1.697 14.651 0.000) 14.749 9.915 ( 5.169 3.476 0.000) 6.228 9.920 ( 5.668 8.738 0.000) 10.415 10.158 ( -0.093 20.361 0.000) 20.362 10.195 ( -3.558 21.731 0.000) 22.020 10.309 ( -1.038 -1.636 0.000) 1.938 10.413 ( -8.927 2.917 0.000) 9.391 10.575 ( 2.278 10.692 0.000) 10.932 10.591 ( 0.077 1.354 0.000) 1.356 10.868 ( 3.049 1.919 0.000) 3.602 10.869 ( 1.976 2.415 0.000) 3.120 11.192 ( 4.122 11.922 0.000) 12.614 11.260 ( 7.048 1.562 0.000) 7.219 11.269 ( -4.153 16.431 0.000) 16.947 11.308 ( 3.085 -0.853 0.000) 3.201 11.594 ( 1.878 -6.158 0.000) 6.438 11.644 ( -2.478 -3.499 0.000) 4.288 11.793 ( 3.374 0.162 0.000) 3.378 11.869 ( -2.102 0.152 0.000) 2.108 11.984 ( -1.336 3.854 0.000) 4.079 12.009 ( -1.431 -1.721 0.000) 2.238 12.170 ( 9.153 -2.995 0.000) 9.631 12.255 ( -1.660 7.344 0.000) 7.529 12.316 ( 1.434 6.861 0.000) 7.009 12.409 ( -2.179 -3.994 0.000) 4.550 12.836 ( 5.216 -0.513 0.000) 5.242 13.001 ( -9.503 -1.631 0.000) 9.642 13.374 ( 1.817 -6.810 0.000) 7.049 13.450 ( -3.570 -3.898 0.000) 5.286 14.220 ( 4.631 -1.420 0.000) 4.844 14.300 ( -2.364 1.778 0.000) 2.958 15.518 ( -1.372 -14.822 0.000) 14.885 15.573 ( -7.151 -15.890 0.000) 17.425 15.819 ( 4.508 -11.636 0.000) 12.479 15.946 ( -7.704 -12.693 0.000) 14.848 17.522 ( 4.428 -11.509 0.000) 12.331 17.563 ( 0.350 -12.617 0.000) 12.622 17.912 ( 13.541 -2.252 0.000) 13.727 18.079 ( -4.203 -9.042 0.000) 9.971 18.249 ( 0.203 -15.096 0.000) 15.097 18.402 ( -12.615 -6.500 0.000) 14.192 18.573 ( 3.728 -16.960 0.000) 17.365 18.642 ( -2.742 -17.805 0.000) 18.015 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.00 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 33.894 0.000) 33.894 2.377 ( 0.000 32.563 0.000) 32.563 3.350 ( 0.000 7.751 0.000) 7.751 3.448 ( 0.000 5.548 0.000) 5.548 3.518 ( 0.000 5.533 0.000) 5.533 3.885 ( 0.000 2.844 0.000) 2.844 4.002 ( 0.000 20.917 0.000) 20.917 4.004 ( 0.000 2.472 0.000) 2.472 4.123 ( 0.000 8.239 0.000) 8.239 4.170 ( 0.000 21.755 0.000) 21.755 4.188 ( 0.000 40.279 0.000) 40.279 4.499 ( 0.000 17.740 0.000) 17.740 4.774 ( 0.000 20.585 0.000) 20.585 5.296 ( 0.000 18.883 0.000) 18.883 5.382 ( 0.000 14.143 0.000) 14.143 5.523 ( 0.000 5.087 0.000) 5.087 5.611 ( 0.000 30.345 0.000) 30.345 5.669 ( 0.000 21.211 0.000) 21.211 5.676 ( 0.000 60.182 0.000) 60.182 5.789 ( 0.000 11.576 0.000) 11.576 6.217 ( 0.000 31.921 0.000) 31.921 6.453 ( 0.000 0.283 0.000) 0.283 6.519 ( 0.000 6.689 0.000) 6.689 6.679 ( 0.000 22.756 0.000) 22.756 6.824 ( 0.000 31.972 0.000) 31.972 7.175 ( 0.000 44.781 0.000) 44.781 7.332 ( 0.000 36.727 0.000) 36.727 7.624 ( 0.000 48.769 0.000) 48.769 7.803 ( 0.000 -0.451 0.000) 0.451 7.844 ( 0.000 11.145 0.000) 11.145 7.927 ( 0.000 5.717 0.000) 5.717 7.968 ( 0.000 2.672 0.000) 2.672 8.087 ( 0.000 1.113 0.000) 1.113 8.199 ( 0.000 1.204 0.000) 1.204 8.301 ( 0.000 0.781 0.000) 0.781 8.381 ( 0.000 26.126 0.000) 26.126 8.587 ( 0.000 1.122 0.000) 1.122 8.783 ( 0.000 2.578 0.000) 2.578 9.562 ( 0.000 -0.755 0.000) 0.755 9.574 ( 0.000 -10.200 0.000) 10.200 9.640 ( 0.000 -10.158 0.000) 10.158 9.787 ( 0.000 3.133 0.000) 3.133 9.811 ( 0.000 8.483 0.000) 8.483 10.057 ( 0.000 8.462 0.000) 8.462 10.325 ( 0.000 -6.150 0.000) 6.150 10.350 ( 0.000 -7.407 0.000) 7.407 10.447 ( 0.000 3.145 0.000) 3.145 10.597 ( 0.000 13.421 0.000) 13.421 10.598 ( 0.000 11.617 0.000) 11.617 10.668 ( 0.000 3.486 0.000) 3.486 10.840 ( 0.000 8.050 0.000) 8.050 10.947 ( 0.000 8.585 0.000) 8.585 11.103 ( 0.000 1.897 0.000) 1.897 11.126 ( 0.000 12.878 0.000) 12.878 11.269 ( 0.000 -7.882 0.000) 7.882 11.413 ( 0.000 -6.067 0.000) 6.067 11.445 ( 0.000 0.166 0.000) 0.166 11.596 ( 0.000 0.783 0.000) 0.783 11.745 ( 0.000 0.096 0.000) 0.096 11.912 ( 0.000 6.677 0.000) 6.677 12.091 ( 0.000 22.917 0.000) 22.917 12.098 ( 0.000 1.341 0.000) 1.341 12.118 ( 0.000 -1.883 0.000) 1.883 12.234 ( 0.000 2.046 0.000) 2.046 12.510 ( 0.000 6.746 0.000) 6.746 12.539 ( 0.000 6.791 0.000) 6.791 12.854 ( 0.000 5.928 0.000) 5.928 13.217 ( 0.000 -0.158 0.000) 0.158 13.256 ( 0.000 -8.572 0.000) 8.572 13.427 ( 0.000 -1.977 0.000) 1.977 13.982 ( 0.000 -8.495 0.000) 8.495 14.400 ( 0.000 0.701 0.000) 0.701 15.297 ( 0.000 -19.158 0.000) 19.158 15.458 ( 0.000 -14.836 0.000) 14.836 15.550 ( 0.000 -20.387 0.000) 20.387 15.728 ( 0.000 -27.171 0.000) 27.171 17.200 ( 0.000 -17.172 0.000) 17.172 17.268 ( 0.000 -3.705 0.000) 3.705 17.298 ( 0.000 -6.332 0.000) 6.332 17.963 ( 0.000 -16.186 0.000) 16.186 17.982 ( 0.000 -21.431 0.000) 21.431 18.187 ( 0.000 -13.546 0.000) 13.546 18.256 ( 0.000 -16.020 0.000) 16.020 18.699 ( 0.000 -11.618 0.000) 11.618 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.20 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 9.036 29.603 0.000) 30.952 2.481 ( 15.154 29.366 0.000) 33.045 3.388 ( -8.028 6.364 0.000) 10.245 3.402 ( 4.428 7.583 0.000) 8.781 3.512 ( -0.213 5.025 0.000) 5.029 3.795 ( -9.544 6.219 0.000) 11.392 3.951 ( -0.455 11.011 0.000) 11.021 4.002 ( -5.117 11.644 0.000) 12.719 4.088 ( 5.224 16.813 0.000) 17.606 4.254 ( 6.936 37.169 0.000) 37.811 4.339 ( 8.583 16.153 0.000) 18.291 4.448 ( -3.557 17.898 0.000) 18.248 4.857 ( 5.406 15.984 0.000) 16.873 5.245 ( -10.373 16.884 0.000) 19.816 5.307 ( 1.176 17.723 0.000) 17.762 5.545 ( 2.943 7.309 0.000) 7.879 5.611 ( -2.032 22.968 0.000) 23.057 5.615 ( -2.587 18.783 0.000) 18.960 5.762 ( 7.823 59.769 0.000) 60.279 5.823 ( 2.314 14.800 0.000) 14.980 6.159 ( -5.473 27.275 0.000) 27.819 6.441 ( -0.865 3.608 0.000) 3.710 6.510 ( -3.744 19.915 0.000) 20.264 6.596 ( -2.750 23.529 0.000) 23.689 7.035 ( 13.838 22.592 0.000) 26.493 7.176 ( -0.087 43.337 0.000) 43.337 7.237 ( -7.349 40.569 0.000) 41.230 7.569 ( -4.852 41.133 0.000) 41.418 7.693 ( -7.076 1.947 0.000) 7.339 7.784 ( -2.613 -2.761 0.000) 3.802 7.939 ( 2.741 17.026 0.000) 17.245 7.953 ( -2.905 3.282 0.000) 4.383 8.171 ( -1.248 13.697 0.000) 13.754 8.236 ( 7.726 9.414 0.000) 12.178 8.247 ( -6.913 -0.809 0.000) 6.961 8.423 ( 5.045 12.915 0.000) 13.866 8.517 ( -4.862 2.743 0.000) 5.583 8.851 ( 6.017 3.151 0.000) 6.793 9.318 ( -15.456 -7.810 0.000) 17.318 9.470 ( -7.265 -0.953 0.000) 7.327 9.760 ( 4.097 -5.965 0.000) 7.236 9.869 ( 6.645 4.928 0.000) 8.273 9.904 ( -0.390 4.512 0.000) 4.529 9.920 ( 1.129 7.364 0.000) 7.450 10.288 ( -3.004 -6.008 0.000) 6.718 10.435 ( 1.542 3.393 0.000) 3.727 10.509 ( -0.379 11.462 0.000) 11.468 10.599 ( -2.504 6.219 0.000) 6.704 10.635 ( 13.676 0.853 0.000) 13.702 10.670 ( -2.735 3.838 0.000) 4.713 10.900 ( -0.980 9.643 0.000) 9.693 10.937 ( -0.885 7.038 0.000) 7.093 11.115 ( 6.489 3.842 0.000) 7.541 11.180 ( 0.202 -2.250 0.000) 2.259 11.233 ( 7.756 2.009 0.000) 8.012 11.469 ( 2.232 3.623 0.000) 4.255 11.533 ( 5.148 -5.124 0.000) 7.263 11.619 ( 1.371 2.653 0.000) 2.987 11.750 ( 0.666 0.133 0.000) 0.680 11.920 ( 1.115 3.471 0.000) 3.646 11.969 ( -6.641 8.029 0.000) 10.420 12.119 ( 1.867 3.409 0.000) 3.887 12.163 ( -0.331 9.999 0.000) 10.004 12.292 ( 3.879 -0.952 0.000) 3.994 12.494 ( -1.240 6.839 0.000) 6.950 12.498 ( -3.209 7.861 0.000) 8.490 12.828 ( -1.518 4.742 0.000) 4.979 13.143 ( -6.467 -0.770 0.000) 6.513 13.223 ( -2.554 -8.559 0.000) 8.932 13.417 ( -1.637 -3.839 0.000) 4.173 14.042 ( 5.442 -6.125 0.000) 8.194 14.392 ( -1.065 1.225 0.000) 1.623 15.250 ( -3.682 -18.675 0.000) 19.034 15.393 ( -10.864 -21.973 0.000) 24.512 15.486 ( 2.370 -14.916 0.000) 15.103 15.731 ( -2.030 -22.052 0.000) 22.145 17.219 ( 1.307 -9.106 0.000) 9.199 17.227 ( 2.341 -16.962 0.000) 17.122 17.541 ( 15.531 -3.437 0.000) 15.907 17.916 ( -3.670 -14.497 0.000) 14.954 17.945 ( -2.853 -20.128 0.000) 20.329 18.198 ( 0.931 -15.136 0.000) 15.165 18.262 ( 0.068 -17.520 0.000) 17.520 18.584 ( -10.447 -9.931 0.000) 14.414 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.40 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 14.872 22.168 0.000) 26.695 2.882 ( 17.670 19.280 0.000) 26.152 3.132 ( -10.145 15.493 0.000) 18.519 3.411 ( -14.369 13.895 0.000) 19.988 3.536 ( 1.578 4.284 0.000) 4.565 3.555 ( -3.538 6.852 0.000) 7.712 3.930 ( -1.315 5.474 0.000) 5.629 3.941 ( -1.183 9.418 0.000) 9.492 4.209 ( 5.700 21.170 0.000) 21.924 4.320 ( -5.102 22.208 0.000) 22.787 4.454 ( 9.738 26.363 0.000) 28.104 4.523 ( 3.975 18.264 0.000) 18.692 4.921 ( 1.425 14.116 0.000) 14.188 5.022 ( -9.392 16.445 0.000) 18.938 5.367 ( 5.137 17.014 0.000) 17.772 5.499 ( -6.483 18.376 0.000) 19.486 5.651 ( 5.552 9.480 0.000) 10.987 5.664 ( 4.255 15.440 0.000) 16.015 5.853 ( 1.482 15.879 0.000) 15.948 5.937 ( 0.845 45.267 0.000) 45.275 6.045 ( 3.099 28.077 0.000) 28.247 6.296 ( -13.693 39.294 0.000) 41.612 6.453 ( 3.187 12.634 0.000) 13.030 6.563 ( -4.730 18.200 0.000) 18.805 7.100 ( -0.599 41.437 0.000) 41.441 7.150 ( -2.860 41.469 0.000) 41.568 7.314 ( 9.062 16.698 0.000) 18.998 7.453 ( -5.709 26.197 0.000) 26.812 7.664 ( 3.888 4.378 0.000) 5.856 7.730 ( -1.959 4.476 0.000) 4.886 7.886 ( -1.338 4.830 0.000) 5.012 7.984 ( -5.364 11.987 0.000) 13.133 8.072 ( -1.474 10.531 0.000) 10.634 8.132 ( -2.823 24.246 0.000) 24.410 8.343 ( 3.637 9.470 0.000) 10.145 8.422 ( -4.205 6.925 0.000) 8.102 8.619 ( 12.735 2.426 0.000) 12.964 8.893 ( -10.155 3.251 0.000) 10.662 9.117 ( 4.158 -4.232 0.000) 5.933 9.294 ( -9.373 -1.869 0.000) 9.558 9.808 ( 0.857 -1.068 0.000) 1.369 9.825 ( -1.672 3.228 0.000) 3.636 10.007 ( 6.091 6.494 0.000) 8.903 10.067 ( 3.527 6.132 0.000) 7.074 10.248 ( 2.595 -3.297 0.000) 4.196 10.435 ( -10.313 0.393 0.000) 10.320 10.497 ( 0.782 12.624 0.000) 12.649 10.533 ( -1.341 11.708 0.000) 11.785 10.592 ( 4.880 -1.188 0.000) 5.022 10.766 ( -7.645 6.961 0.000) 10.339 10.899 ( 5.936 1.641 0.000) 6.159 10.946 ( 0.474 5.491 0.000) 5.511 11.265 ( 4.587 1.635 0.000) 4.869 11.266 ( 5.075 3.740 0.000) 6.304 11.436 ( 9.757 -5.141 0.000) 11.029 11.533 ( 3.849 9.980 0.000) 10.696 11.569 ( -2.211 -3.384 0.000) 4.042 11.611 ( -2.629 9.668 0.000) 10.019 11.787 ( 2.937 -0.791 0.000) 3.042 11.856 ( -4.009 -0.603 0.000) 4.054 11.975 ( 4.636 0.347 0.000) 4.649 12.093 ( -5.542 7.340 0.000) 9.198 12.170 ( 3.498 4.182 0.000) 5.452 12.285 ( -5.804 -1.271 0.000) 5.941 12.464 ( 0.715 8.014 0.000) 8.046 12.477 ( -0.317 7.733 0.000) 7.739 12.838 ( 3.451 1.430 0.000) 3.735 12.977 ( -8.765 -0.723 0.000) 8.795 13.221 ( 3.701 -7.951 0.000) 8.770 13.339 ( -5.788 -6.760 0.000) 8.900 14.187 ( 7.918 -2.133 0.000) 8.200 14.332 ( -5.162 0.809 0.000) 5.225 15.183 ( -1.915 -18.698 0.000) 18.795 15.210 ( -5.301 -20.504 0.000) 21.178 15.551 ( 3.947 -15.298 0.000) 15.799 15.648 ( -5.036 -17.334 0.000) 18.051 17.272 ( 2.194 -13.412 0.000) 13.590 17.276 ( 1.685 -16.006 0.000) 16.094 17.820 ( 4.341 -9.521 0.000) 10.464 17.849 ( -2.093 -13.303 0.000) 13.467 17.963 ( 11.559 -11.387 0.000) 16.226 18.224 ( 1.603 -17.854 0.000) 17.926 18.238 ( -4.163 -15.122 0.000) 15.685 18.311 ( -13.236 -11.075 0.000) 17.258 ======================= Grid point 20 (13/81) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 0.000 25.101 0.000) 25.101 2.931 ( 0.000 23.457 0.000) 23.457 3.504 ( 0.000 7.742 0.000) 7.742 3.557 ( 0.000 5.583 0.000) 5.583 3.583 ( 0.000 1.458 0.000) 1.458 3.852 ( 0.000 -3.343 0.000) 3.343 4.025 ( 0.000 1.039 0.000) 1.039 4.185 ( 0.000 -0.403 0.000) 0.403 4.388 ( 0.000 18.543 0.000) 18.543 4.573 ( 0.000 19.251 0.000) 19.251 4.886 ( 0.000 29.193 0.000) 29.193 4.971 ( 0.000 25.628 0.000) 25.628 5.211 ( 0.000 23.448 0.000) 23.448 5.665 ( 0.000 10.321 0.000) 10.321 5.671 ( 0.000 14.649 0.000) 14.649 5.678 ( 0.000 19.731 0.000) 19.731 5.913 ( 0.000 10.172 0.000) 10.172 6.030 ( 0.000 13.396 0.000) 13.396 6.112 ( 0.000 15.502 0.000) 15.502 6.464 ( 0.000 1.491 0.000) 1.491 6.555 ( 0.000 1.162 0.000) 1.162 6.605 ( 0.000 20.893 0.000) 20.893 6.967 ( 0.000 53.882 0.000) 53.882 7.007 ( 0.000 10.491 0.000) 10.491 7.361 ( 0.000 17.924 0.000) 17.924 7.700 ( 0.000 -7.245 0.000) 7.245 7.882 ( 0.000 -3.170 0.000) 3.170 7.920 ( 0.000 24.606 0.000) 24.606 7.944 ( 0.000 4.358 0.000) 4.358 8.097 ( 0.000 9.028 0.000) 9.028 8.203 ( 0.000 38.693 0.000) 38.693 8.203 ( 0.000 14.967 0.000) 14.967 8.275 ( 0.000 3.988 0.000) 3.988 8.533 ( 0.000 32.466 0.000) 32.466 8.612 ( 0.000 31.688 0.000) 31.688 8.650 ( 0.000 1.486 0.000) 1.486 8.992 ( 0.000 22.597 0.000) 22.597 9.030 ( 0.000 35.120 0.000) 35.120 9.410 ( 0.000 -2.049 0.000) 2.049 9.454 ( 0.000 -8.855 0.000) 8.855 9.457 ( 0.000 -6.108 0.000) 6.108 9.870 ( 0.000 6.175 0.000) 6.175 9.899 ( 0.000 -3.858 0.000) 3.858 10.035 ( 0.000 -8.205 0.000) 8.205 10.271 ( 0.000 6.350 0.000) 6.350 10.335 ( 0.000 6.359 0.000) 6.359 10.434 ( 0.000 -6.109 0.000) 6.109 10.654 ( 0.000 -4.020 0.000) 4.020 10.761 ( 0.000 3.494 0.000) 3.494 10.803 ( 0.000 7.017 0.000) 7.017 10.888 ( 0.000 -0.480 0.000) 0.480 11.097 ( 0.000 -8.398 0.000) 8.398 11.144 ( 0.000 3.494 0.000) 3.494 11.171 ( 0.000 7.535 0.000) 7.535 11.297 ( 0.000 3.053 0.000) 3.053 11.359 ( 0.000 7.314 0.000) 7.314 11.585 ( 0.000 12.887 0.000) 12.887 11.665 ( 0.000 6.241 0.000) 6.241 11.752 ( 0.000 0.477 0.000) 0.477 11.997 ( 0.000 -7.582 0.000) 7.582 12.112 ( 0.000 12.938 0.000) 12.938 12.173 ( 0.000 6.075 0.000) 6.075 12.330 ( 0.000 4.526 0.000) 4.526 12.519 ( 0.000 17.309 0.000) 17.309 12.594 ( 0.000 2.665 0.000) 2.665 12.644 ( 0.000 6.016 0.000) 6.016 13.038 ( 0.000 11.607 0.000) 11.607 13.129 ( 0.000 -3.802 0.000) 3.802 13.246 ( 0.000 3.224 0.000) 3.224 13.396 ( 0.000 -0.743 0.000) 0.743 13.790 ( 0.000 -10.744 0.000) 10.744 14.299 ( 0.000 -11.828 0.000) 11.828 14.915 ( 0.000 -19.028 0.000) 19.028 15.138 ( 0.000 -20.670 0.000) 20.670 15.156 ( 0.000 -15.480 0.000) 15.480 15.202 ( 0.000 -24.498 0.000) 24.498 16.855 ( 0.000 -17.401 0.000) 17.401 17.161 ( 0.000 -7.923 0.000) 7.923 17.195 ( 0.000 -4.445 0.000) 4.445 17.560 ( 0.000 -20.873 0.000) 20.873 17.639 ( 0.000 -16.566 0.000) 16.566 17.919 ( 0.000 -13.777 0.000) 13.777 17.940 ( 0.000 -16.051 0.000) 16.051 18.428 ( 0.000 -15.995 0.000) 15.995 ======================= Grid point 21 (14/81) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 4.498 21.389 0.000) 21.857 3.006 ( 9.416 23.187 0.000) 25.026 3.491 ( -5.928 4.250 0.000) 7.294 3.546 ( 3.742 6.986 0.000) 7.925 3.590 ( 0.805 2.992 0.000) 3.099 3.826 ( -2.406 -1.190 0.000) 2.684 4.054 ( 1.341 2.401 0.000) 2.750 4.102 ( -8.374 1.189 0.000) 8.458 4.438 ( 5.180 17.246 0.000) 18.007 4.662 ( 8.165 16.635 0.000) 18.531 4.910 ( 2.495 28.355 0.000) 28.464 4.917 ( -4.614 25.104 0.000) 25.525 5.226 ( 0.941 20.944 0.000) 20.965 5.579 ( -8.191 16.651 0.000) 18.557 5.622 ( -1.063 14.595 0.000) 14.633 5.764 ( 5.571 15.535 0.000) 16.504 5.875 ( -3.838 9.277 0.000) 10.040 5.938 ( -3.845 13.373 0.000) 13.915 6.109 ( -1.272 13.725 0.000) 13.784 6.392 ( -7.098 3.509 0.000) 7.918 6.607 ( 0.690 16.325 0.000) 16.339 6.746 ( 14.208 5.211 0.000) 15.133 6.941 ( -5.695 10.556 0.000) 11.994 7.006 ( 3.626 53.064 0.000) 53.188 7.425 ( 5.103 13.773 0.000) 14.688 7.662 ( -3.161 -6.114 0.000) 6.883 7.737 ( -7.988 3.850 0.000) 8.867 7.842 ( -6.073 17.938 0.000) 18.938 8.018 ( 1.027 13.103 0.000) 13.143 8.093 ( -1.178 11.956 0.000) 12.014 8.150 ( -3.326 36.789 0.000) 36.939 8.275 ( -2.529 8.315 0.000) 8.691 8.293 ( 9.030 9.295 0.000) 12.959 8.518 ( 0.504 30.552 0.000) 30.556 8.655 ( 2.997 27.440 0.000) 27.603 8.683 ( 3.209 10.785 0.000) 11.252 8.985 ( -4.020 33.718 0.000) 33.957 9.026 ( 3.092 17.904 0.000) 18.169 9.206 ( -11.445 -0.027 0.000) 11.445 9.396 ( -4.751 -4.151 0.000) 6.309 9.621 ( 7.093 -4.770 0.000) 8.547 9.857 ( -3.172 -7.489 0.000) 8.133 9.963 ( 8.522 5.902 0.000) 10.366 10.061 ( 3.294 2.883 0.000) 4.377 10.211 ( -1.402 2.334 0.000) 2.722 10.415 ( -0.696 -5.096 0.000) 5.144 10.585 ( 13.864 1.496 0.000) 13.945 10.602 ( -4.846 -5.708 0.000) 7.488 10.710 ( 0.810 3.507 0.000) 3.600 10.766 ( -4.413 4.843 0.000) 6.552 10.946 ( -0.165 -2.516 0.000) 2.521 11.070 ( 0.479 1.775 0.000) 1.838 11.192 ( 5.029 4.541 0.000) 6.776 11.205 ( 3.599 5.779 0.000) 6.808 11.322 ( 2.942 5.537 0.000) 6.270 11.472 ( 6.836 2.617 0.000) 7.320 11.589 ( 0.714 7.907 0.000) 7.940 11.671 ( 0.460 4.307 0.000) 4.332 11.755 ( 0.349 0.304 0.000) 0.463 11.957 ( -3.880 -5.227 0.000) 6.510 12.085 ( -1.615 11.971 0.000) 12.080 12.229 ( 4.382 7.248 0.000) 8.469 12.295 ( -3.629 2.515 0.000) 4.415 12.496 ( -2.125 15.210 0.000) 15.358 12.574 ( -1.473 2.308 0.000) 2.738 12.621 ( -2.266 5.906 0.000) 6.326 12.984 ( -4.069 9.871 0.000) 10.677 13.085 ( -3.126 -3.302 0.000) 4.547 13.158 ( -6.633 1.078 0.000) 6.720 13.350 ( -4.537 -2.348 0.000) 5.109 13.906 ( 9.464 -7.381 0.000) 12.002 14.330 ( 1.976 -8.270 0.000) 8.503 14.877 ( -3.174 -18.570 0.000) 18.840 14.950 ( -10.736 -21.711 0.000) 24.220 15.180 ( 2.060 -15.822 0.000) 15.956 15.289 ( 2.177 -21.840 0.000) 21.949 16.886 ( 2.758 -17.229 0.000) 17.448 17.042 ( -3.123 -9.256 0.000) 9.769 17.456 ( 15.742 -5.747 0.000) 16.758 17.545 ( -0.981 -19.775 0.000) 19.800 17.623 ( -1.499 -15.171 0.000) 15.245 17.908 ( -0.954 -14.473 0.000) 14.504 17.918 ( -1.771 -17.185 0.000) 17.276 18.346 ( -7.710 -14.366 0.000) 16.304 ======================= Grid point 22 (15/81) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 7.620 15.981 0.000) 17.705 3.227 ( 3.493 15.041 0.000) 15.441 3.393 ( 4.692 10.837 0.000) 11.809 3.613 ( 0.600 6.387 0.000) 6.415 3.615 ( 1.347 3.728 0.000) 3.964 3.696 ( -12.749 7.585 0.000) 14.835 3.950 ( -0.614 -0.892 0.000) 1.083 4.024 ( -4.235 1.234 0.000) 4.411 4.598 ( 9.212 17.639 0.000) 19.900 4.772 ( -6.007 20.225 0.000) 21.098 4.881 ( 7.660 18.369 0.000) 19.902 4.970 ( 1.188 23.548 0.000) 23.578 5.242 ( 1.973 18.779 0.000) 18.882 5.377 ( -9.904 19.089 0.000) 21.505 5.650 ( 3.994 13.135 0.000) 13.729 5.768 ( -6.326 10.276 0.000) 12.067 5.893 ( 5.931 15.466 0.000) 16.564 5.934 ( 2.457 14.531 0.000) 14.737 6.076 ( -0.576 9.457 0.000) 9.475 6.195 ( -10.331 5.752 0.000) 11.824 6.652 ( 3.903 12.222 0.000) 12.830 6.773 ( -7.360 10.053 0.000) 12.460 7.047 ( 9.894 20.138 0.000) 22.437 7.095 ( 3.603 43.930 0.000) 44.077 7.528 ( 4.303 5.490 0.000) 6.975 7.594 ( -2.971 -1.857 0.000) 3.503 7.600 ( -3.262 9.673 0.000) 10.208 7.684 ( -8.637 7.710 0.000) 11.578 8.037 ( 2.844 25.117 0.000) 25.278 8.071 ( -0.008 21.500 0.000) 21.500 8.097 ( -1.925 27.823 0.000) 27.890 8.154 ( -7.231 19.385 0.000) 20.689 8.517 ( 9.456 9.234 0.000) 13.217 8.567 ( 2.453 22.955 0.000) 23.085 8.716 ( 4.180 18.638 0.000) 19.101 8.770 ( 4.578 25.927 0.000) 26.328 8.884 ( -5.239 28.742 0.000) 29.215 8.924 ( -12.425 -2.495 0.000) 12.673 9.152 ( 5.914 14.093 0.000) 15.283 9.282 ( -6.095 4.803 0.000) 7.760 9.730 ( 3.868 -3.544 0.000) 5.246 9.796 ( -2.752 -4.617 0.000) 5.375 10.120 ( 3.972 5.136 0.000) 6.493 10.140 ( 1.853 1.131 0.000) 2.171 10.228 ( 5.074 2.636 0.000) 5.718 10.392 ( -7.326 -4.441 0.000) 8.567 10.550 ( 7.954 -2.789 0.000) 8.429 10.653 ( 0.542 3.492 0.000) 3.534 10.690 ( -2.203 4.076 0.000) 4.633 10.796 ( -9.650 -3.242 0.000) 10.180 10.972 ( 9.486 5.406 0.000) 10.918 11.075 ( -1.318 6.548 0.000) 6.679 11.298 ( 4.558 -1.389 0.000) 4.765 11.301 ( 4.019 1.216 0.000) 4.199 11.434 ( 6.605 6.312 0.000) 9.136 11.545 ( -1.261 1.925 0.000) 2.302 11.630 ( 3.181 1.005 0.000) 3.336 11.676 ( -0.457 0.774 0.000) 0.899 11.775 ( 1.822 0.943 0.000) 2.051 11.848 ( -5.548 -0.100 0.000) 5.548 12.065 ( 0.696 7.153 0.000) 7.186 12.164 ( -7.989 1.588 0.000) 8.145 12.334 ( 5.265 11.031 0.000) 12.223 12.432 ( -4.104 12.626 0.000) 13.276 12.562 ( 0.731 0.724 0.000) 1.029 12.581 ( -0.848 2.643 0.000) 2.776 12.922 ( -0.783 6.683 0.000) 6.729 12.987 ( -6.544 2.501 0.000) 7.005 13.101 ( 3.196 -3.121 0.000) 4.467 13.221 ( -7.073 -4.002 0.000) 8.126 14.127 ( 10.968 -3.969 0.000) 11.664 14.312 ( -5.255 -2.942 0.000) 6.023 14.790 ( -3.076 -21.485 0.000) 21.705 14.806 ( -3.097 -18.944 0.000) 19.196 15.232 ( 2.741 -16.780 0.000) 17.002 15.285 ( -1.971 -18.930 0.000) 19.032 16.953 ( 3.272 -16.415 0.000) 16.738 17.005 ( -1.619 -13.681 0.000) 13.777 17.540 ( 0.963 -16.114 0.000) 16.142 17.580 ( -2.436 -13.894 0.000) 14.105 17.801 ( 16.667 -8.072 0.000) 18.518 17.886 ( -0.908 -18.060 0.000) 18.083 17.887 ( -0.820 -16.273 0.000) 16.294 18.121 ( -13.605 -10.977 0.000) 17.481 ======================= Grid point 25 (16/81) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 0.000 13.051 0.000) 13.051 3.295 ( 0.000 13.765 0.000) 13.765 3.584 ( 0.000 -0.986 0.000) 0.986 3.652 ( 0.000 7.336 0.000) 7.336 3.677 ( 0.000 6.806 0.000) 6.806 3.783 ( 0.000 -3.475 0.000) 3.475 4.045 ( 0.000 0.837 0.000) 0.837 4.155 ( 0.000 -2.202 0.000) 2.202 4.744 ( 0.000 17.765 0.000) 17.765 4.930 ( 0.000 17.076 0.000) 17.076 5.327 ( 0.000 16.213 0.000) 16.213 5.411 ( 0.000 17.906 0.000) 17.906 5.679 ( 0.000 23.617 0.000) 23.617 5.950 ( 0.000 13.722 0.000) 13.722 5.951 ( 0.000 18.190 0.000) 18.190 6.042 ( 0.000 15.934 0.000) 15.934 6.069 ( 0.000 6.183 0.000) 6.183 6.286 ( 0.000 11.469 0.000) 11.469 6.316 ( 0.000 7.133 0.000) 7.133 6.546 ( 0.000 8.194 0.000) 8.194 6.626 ( 0.000 6.626 0.000) 6.626 6.834 ( 0.000 5.927 0.000) 5.927 7.142 ( 0.000 4.344 0.000) 4.344 7.445 ( 0.000 -10.227 0.000) 10.227 7.507 ( 0.000 -0.140 0.000) 0.140 7.888 ( 0.000 5.072 0.000) 5.072 7.889 ( 0.000 18.299 0.000) 18.299 7.965 ( 0.000 0.344 0.000) 0.344 8.015 ( 0.000 -7.508 0.000) 7.508 8.401 ( 0.000 6.372 0.000) 6.372 8.442 ( 0.000 32.026 0.000) 32.026 8.488 ( 0.000 5.444 0.000) 5.444 8.534 ( 0.000 -6.420 0.000) 6.420 8.910 ( 0.000 27.693 0.000) 27.693 8.915 ( 0.000 3.208 0.000) 3.208 9.052 ( 0.000 -0.269 0.000) 0.269 9.386 ( 0.000 11.888 0.000) 11.888 9.449 ( 0.000 20.751 0.000) 20.751 9.565 ( 0.000 13.632 0.000) 13.632 9.567 ( 0.000 10.085 0.000) 10.085 9.657 ( 0.000 25.178 0.000) 25.178 9.806 ( 0.000 7.708 0.000) 7.708 9.920 ( 0.000 -0.381 0.000) 0.381 10.103 ( 0.000 19.366 0.000) 19.366 10.137 ( 0.000 -22.642 0.000) 22.642 10.490 ( 0.000 9.334 0.000) 9.334 10.578 ( 0.000 19.388 0.000) 19.388 10.626 ( 0.000 1.922 0.000) 1.922 10.750 ( 0.000 -1.594 0.000) 1.594 10.877 ( 0.000 -0.243 0.000) 0.243 10.886 ( 0.000 2.080 0.000) 2.080 10.986 ( 0.000 -1.372 0.000) 1.372 11.140 ( 0.000 -4.958 0.000) 4.958 11.272 ( 0.000 8.829 0.000) 8.829 11.309 ( 0.000 -0.376 0.000) 0.376 11.739 ( 0.000 19.852 0.000) 19.852 11.765 ( 0.000 1.130 0.000) 1.130 11.827 ( 0.000 9.575 0.000) 9.575 11.853 ( 0.000 -3.290 0.000) 3.290 11.865 ( 0.000 14.567 0.000) 14.567 12.300 ( 0.000 5.929 0.000) 5.929 12.372 ( 0.000 12.453 0.000) 12.453 12.384 ( 0.000 1.043 0.000) 1.043 12.598 ( 0.000 -1.965 0.000) 1.965 12.665 ( 0.000 5.519 0.000) 5.519 12.944 ( 0.000 17.760 0.000) 17.760 13.116 ( 0.000 2.312 0.000) 2.312 13.276 ( 0.000 12.451 0.000) 12.451 13.341 ( 0.000 6.253 0.000) 6.253 13.415 ( 0.000 2.879 0.000) 2.879 13.581 ( 0.000 -9.653 0.000) 9.653 13.937 ( 0.000 -23.187 0.000) 23.187 14.571 ( 0.000 -15.538 0.000) 15.538 14.764 ( 0.000 -16.876 0.000) 16.876 14.811 ( 0.000 -15.372 0.000) 15.372 14.861 ( 0.000 -14.255 0.000) 14.255 16.536 ( 0.000 -14.474 0.000) 14.474 16.960 ( 0.000 -13.344 0.000) 13.344 17.068 ( 0.000 -8.799 0.000) 8.799 17.194 ( 0.000 -15.239 0.000) 15.239 17.313 ( 0.000 -16.533 0.000) 16.533 17.626 ( 0.000 -15.868 0.000) 15.868 17.637 ( 0.000 -15.165 0.000) 15.165 18.073 ( 0.000 -19.928 0.000) 19.928 ======================= Grid point 26 (17/81) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 1.495 12.629 0.000) 12.717 3.360 ( 7.146 11.991 0.000) 13.959 3.557 ( -4.380 2.096 0.000) 4.855 3.650 ( 0.497 4.445 0.000) 4.473 3.674 ( 1.920 5.969 0.000) 6.270 3.786 ( 0.729 -2.363 0.000) 2.473 4.076 ( 0.909 0.071 0.000) 0.912 4.095 ( -6.333 -1.420 0.000) 6.490 4.762 ( 2.951 16.071 0.000) 16.340 4.984 ( 5.248 15.801 0.000) 16.650 5.351 ( -5.328 18.104 0.000) 18.872 5.351 ( 1.632 16.388 0.000) 16.469 5.657 ( -1.640 22.463 0.000) 22.523 5.875 ( -6.517 12.278 0.000) 13.900 5.937 ( -1.304 17.750 0.000) 17.798 6.020 ( -4.089 7.406 0.000) 8.460 6.088 ( 4.428 15.381 0.000) 16.005 6.184 ( -1.866 12.183 0.000) 12.325 6.405 ( -0.221 16.106 0.000) 16.108 6.496 ( -5.071 8.988 0.000) 10.320 6.769 ( 13.497 -1.600 0.000) 13.591 6.808 ( -1.294 6.049 0.000) 6.186 7.071 ( -5.554 4.402 0.000) 7.087 7.443 ( -0.381 -9.734 0.000) 9.742 7.543 ( 2.249 0.923 0.000) 2.431 7.799 ( -7.753 8.687 0.000) 11.643 7.851 ( -2.784 6.964 0.000) 7.500 7.923 ( -6.476 2.787 0.000) 7.050 8.069 ( 8.871 -0.336 0.000) 8.877 8.427 ( 1.700 3.520 0.000) 3.909 8.514 ( 2.709 3.406 0.000) 4.352 8.528 ( 7.023 38.717 0.000) 39.349 8.654 ( 8.438 -9.918 0.000) 13.022 8.875 ( -2.977 3.105 0.000) 4.302 8.906 ( -0.516 27.954 0.000) 27.959 9.000 ( -4.694 5.412 0.000) 7.164 9.366 ( -4.651 14.812 0.000) 15.525 9.474 ( 0.786 9.581 0.000) 9.613 9.497 ( -4.744 18.555 0.000) 19.152 9.504 ( -1.017 19.310 0.000) 19.337 9.747 ( 6.335 16.595 0.000) 17.763 9.830 ( 2.013 11.728 0.000) 11.900 10.002 ( 6.545 -1.598 0.000) 6.737 10.146 ( 5.298 4.737 0.000) 7.107 10.207 ( 4.695 -4.249 0.000) 6.332 10.433 ( -3.516 14.859 0.000) 15.270 10.525 ( -6.591 -0.510 0.000) 6.611 10.671 ( 2.416 6.942 0.000) 7.350 10.727 ( 3.181 -0.251 0.000) 3.191 10.827 ( -5.086 1.718 0.000) 5.369 10.914 ( 2.252 0.624 0.000) 2.337 11.073 ( 6.592 1.714 0.000) 6.811 11.205 ( 4.501 -4.790 0.000) 6.573 11.292 ( 2.110 4.320 0.000) 4.808 11.376 ( 5.064 1.903 0.000) 5.410 11.707 ( -3.845 6.299 0.000) 7.380 11.774 ( -2.021 10.275 0.000) 10.472 11.777 ( 0.910 3.547 0.000) 3.661 11.810 ( -3.954 12.298 0.000) 12.918 11.907 ( 2.640 6.178 0.000) 6.718 12.321 ( -2.427 10.429 0.000) 10.708 12.334 ( -4.518 1.405 0.000) 4.732 12.356 ( 2.659 5.099 0.000) 5.751 12.579 ( -1.965 -2.026 0.000) 2.823 12.649 ( -1.417 6.560 0.000) 6.711 12.858 ( -8.163 13.242 0.000) 15.556 13.107 ( 0.298 5.804 0.000) 5.811 13.162 ( -7.860 6.997 0.000) 10.523 13.199 ( -8.022 3.138 0.000) 8.614 13.354 ( -5.325 3.539 0.000) 6.394 13.773 ( 12.781 -5.395 0.000) 13.873 14.069 ( 9.811 -16.326 0.000) 19.047 14.542 ( -2.710 -15.086 0.000) 15.328 14.594 ( -10.380 -13.944 0.000) 17.384 14.877 ( 1.325 -14.755 0.000) 14.815 14.901 ( 3.044 -17.366 0.000) 17.631 16.568 ( 2.905 -14.576 0.000) 14.862 16.836 ( -5.923 -12.091 0.000) 13.463 17.172 ( 2.146 -17.148 0.000) 17.282 17.315 ( 12.960 -9.363 0.000) 15.988 17.319 ( 0.288 -15.747 0.000) 15.750 17.588 ( -2.986 -16.299 0.000) 16.570 17.618 ( -1.683 -15.272 0.000) 15.365 18.021 ( -5.112 -18.576 0.000) 19.266 ======================= Grid point 27 (18/81) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 3.127 9.644 0.000) 10.139 3.444 ( -5.058 6.853 0.000) 8.517 3.566 ( 11.497 6.536 0.000) 13.225 3.688 ( 2.378 4.141 0.000) 4.775 3.696 ( -0.662 2.542 0.000) 2.627 3.808 ( -3.671 3.312 0.000) 4.944 3.936 ( -2.642 -0.152 0.000) 2.646 4.027 ( -5.409 -0.623 0.000) 5.445 4.897 ( 9.533 13.317 0.000) 16.378 5.073 ( -2.558 12.114 0.000) 12.381 5.254 ( 1.000 17.798 0.000) 17.826 5.348 ( -3.189 15.173 0.000) 15.504 5.645 ( 1.556 20.541 0.000) 20.600 5.734 ( -6.268 15.400 0.000) 16.626 5.916 ( -0.071 14.154 0.000) 14.154 5.943 ( -2.660 9.300 0.000) 9.673 6.207 ( 3.990 13.708 0.000) 14.277 6.210 ( 6.595 14.870 0.000) 16.267 6.341 ( -5.053 17.415 0.000) 18.133 6.347 ( -8.134 12.391 0.000) 14.822 6.824 ( 3.010 6.583 0.000) 7.239 6.918 ( -4.979 5.721 0.000) 7.585 7.128 ( 15.568 -6.106 0.000) 16.723 7.392 ( -6.886 -9.765 0.000) 11.949 7.568 ( 0.392 1.002 0.000) 1.076 7.619 ( -6.761 1.858 0.000) 7.012 7.805 ( -0.969 9.436 0.000) 9.486 7.823 ( -2.775 10.993 0.000) 11.338 8.273 ( 9.423 2.833 0.000) 9.840 8.416 ( -3.710 4.025 0.000) 5.474 8.608 ( 6.159 -3.902 0.000) 7.291 8.681 ( 5.595 28.484 0.000) 29.028 8.741 ( -0.427 0.792 0.000) 0.900 8.855 ( -6.260 37.018 0.000) 37.543 8.866 ( 2.499 3.817 0.000) 4.562 8.907 ( -2.049 5.358 0.000) 5.736 9.260 ( -1.415 17.466 0.000) 17.524 9.340 ( -7.191 11.108 0.000) 13.233 9.526 ( 1.487 14.880 0.000) 14.955 9.528 ( 1.291 16.282 0.000) 16.333 9.857 ( 3.225 17.523 0.000) 17.817 9.872 ( 1.373 16.921 0.000) 16.976 10.138 ( 5.994 0.607 0.000) 6.025 10.234 ( -1.590 3.612 0.000) 3.947 10.297 ( 3.967 1.175 0.000) 4.137 10.365 ( -3.014 11.471 0.000) 11.860 10.504 ( 8.039 -0.852 0.000) 8.084 10.675 ( 0.740 0.111 0.000) 0.749 10.715 ( -7.727 -3.100 0.000) 8.325 10.726 ( -3.994 0.596 0.000) 4.038 11.080 ( 11.708 4.956 0.000) 12.714 11.179 ( 2.511 4.908 0.000) 5.513 11.274 ( 1.080 -4.188 0.000) 4.326 11.290 ( -1.780 -0.538 0.000) 1.860 11.505 ( 5.942 0.534 0.000) 5.966 11.610 ( -4.951 -1.198 0.000) 5.094 11.708 ( -2.476 8.325 0.000) 8.685 11.726 ( -2.789 8.070 0.000) 8.538 11.859 ( 4.839 7.302 0.000) 8.760 11.932 ( -1.001 9.846 0.000) 9.897 12.222 ( -4.684 4.091 0.000) 6.219 12.223 ( -4.395 8.536 0.000) 9.601 12.467 ( 6.139 -1.275 0.000) 6.270 12.536 ( -1.337 -3.671 0.000) 3.907 12.618 ( -0.868 9.319 0.000) 9.360 12.684 ( -7.124 10.550 0.000) 12.730 13.042 ( -2.789 4.823 0.000) 5.572 13.061 ( -4.424 4.012 0.000) 5.972 13.144 ( 2.908 7.830 0.000) 8.353 13.232 ( -5.512 5.549 0.000) 7.822 14.041 ( 12.615 -4.395 0.000) 13.359 14.226 ( 0.537 -5.608 0.000) 5.633 14.400 ( -4.277 -16.943 0.000) 17.474 14.463 ( -4.832 -15.331 0.000) 16.074 14.908 ( 1.428 -15.815 0.000) 15.879 14.927 ( -0.173 -16.983 0.000) 16.984 16.644 ( 4.166 -14.628 0.000) 15.210 16.733 ( -4.402 -13.829 0.000) 14.513 17.227 ( 3.552 -15.546 0.000) 15.946 17.301 ( -2.645 -14.684 0.000) 14.920 17.544 ( -0.332 -16.622 0.000) 16.625 17.570 ( -1.019 -15.397 0.000) 15.431 17.609 ( 12.513 -12.459 0.000) 17.658 17.860 ( -10.250 -15.488 0.000) 18.572 ======================= Grid point 30 (19/81) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 0.000 4.253 0.000) 4.253 3.490 ( 0.000 6.696 0.000) 6.696 3.556 ( 0.000 -1.662 0.000) 1.662 3.720 ( 0.000 -2.809 0.000) 2.809 3.789 ( 0.000 6.390 0.000) 6.390 3.817 ( 0.000 6.806 0.000) 6.806 4.052 ( 0.000 -0.134 0.000) 0.134 4.106 ( 0.000 -2.646 0.000) 2.646 5.085 ( 0.000 16.713 0.000) 16.713 5.243 ( 0.000 14.556 0.000) 14.556 5.567 ( 0.000 8.905 0.000) 8.905 5.654 ( 0.000 7.046 0.000) 7.046 6.116 ( 0.000 20.131 0.000) 20.131 6.175 ( 0.000 5.071 0.000) 5.071 6.194 ( 0.000 10.368 0.000) 10.368 6.270 ( 0.000 7.913 0.000) 7.913 6.325 ( 0.000 18.468 0.000) 18.468 6.437 ( 0.000 5.344 0.000) 5.344 6.488 ( 0.000 9.886 0.000) 9.886 6.766 ( 0.000 5.619 0.000) 5.619 6.828 ( 0.000 19.996 0.000) 19.996 6.887 ( 0.000 0.181 0.000) 0.181 7.185 ( 0.000 -14.583 0.000) 14.583 7.240 ( 0.000 7.606 0.000) 7.606 7.465 ( 0.000 -2.331 0.000) 2.331 7.809 ( 0.000 -11.913 0.000) 11.913 7.961 ( 0.000 -1.127 0.000) 1.127 7.967 ( 0.000 -3.825 0.000) 3.825 8.049 ( 0.000 9.270 0.000) 9.270 8.316 ( 0.000 -18.696 0.000) 18.696 8.370 ( 0.000 -2.464 0.000) 2.464 8.488 ( 0.000 2.687 0.000) 2.687 8.769 ( 0.000 -13.663 0.000) 13.663 8.878 ( 0.000 -11.977 0.000) 11.977 9.160 ( 0.000 -1.900 0.000) 1.900 9.318 ( 0.000 42.561 0.000) 42.561 9.552 ( 0.000 -27.751 0.000) 27.751 9.606 ( 0.000 9.459 0.000) 9.459 9.616 ( 0.000 5.839 0.000) 5.839 9.855 ( 0.000 6.536 0.000) 6.536 9.918 ( 0.000 14.803 0.000) 14.803 10.046 ( 0.000 15.449 0.000) 15.449 10.060 ( 0.000 14.674 0.000) 14.674 10.183 ( 0.000 20.928 0.000) 20.928 10.516 ( 0.000 17.883 0.000) 17.883 10.641 ( 0.000 -2.798 0.000) 2.798 10.690 ( 0.000 8.490 0.000) 8.490 10.717 ( 0.000 6.641 0.000) 6.641 10.893 ( 0.000 3.136 0.000) 3.136 10.937 ( 0.000 5.137 0.000) 5.137 11.013 ( 0.000 15.936 0.000) 15.936 11.030 ( 0.000 -5.603 0.000) 5.603 11.065 ( 0.000 7.783 0.000) 7.783 11.329 ( 0.000 3.456 0.000) 3.456 11.445 ( 0.000 8.241 0.000) 8.241 11.657 ( 0.000 -9.121 0.000) 9.121 11.803 ( 0.000 2.304 0.000) 2.304 12.011 ( 0.000 8.453 0.000) 8.453 12.129 ( 0.000 11.096 0.000) 11.096 12.205 ( 0.000 16.902 0.000) 16.902 12.385 ( 0.000 -0.138 0.000) 0.138 12.411 ( 0.000 6.224 0.000) 6.224 12.538 ( 0.000 -3.538 0.000) 3.538 12.556 ( 0.000 4.902 0.000) 4.902 12.818 ( 0.000 9.507 0.000) 9.507 13.205 ( 0.000 6.405 0.000) 6.405 13.276 ( 0.000 15.811 0.000) 15.811 13.440 ( 0.000 -11.261 0.000) 11.261 13.461 ( 0.000 -1.191 0.000) 1.191 13.482 ( 0.000 7.722 0.000) 7.722 13.535 ( 0.000 14.070 0.000) 14.070 13.573 ( 0.000 0.218 0.000) 0.218 14.312 ( 0.000 -10.701 0.000) 10.701 14.485 ( 0.000 -11.491 0.000) 11.491 14.564 ( 0.000 -10.453 0.000) 10.453 14.602 ( 0.000 -11.968 0.000) 11.968 16.311 ( 0.000 -7.569 0.000) 7.569 16.654 ( 0.000 -15.931 0.000) 15.931 16.847 ( 0.000 -13.354 0.000) 13.354 16.962 ( 0.000 -9.213 0.000) 9.213 16.991 ( 0.000 -16.078 0.000) 16.078 17.321 ( 0.000 -14.737 0.000) 14.737 17.322 ( 0.000 -16.471 0.000) 16.471 17.656 ( 0.000 -21.978 0.000) 21.978 ======================= Grid point 31 (20/81) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( 3.993 2.790 0.000) 4.871 3.492 ( 0.184 6.355 0.000) 6.357 3.567 ( 0.775 -0.583 0.000) 0.969 3.728 ( 0.408 -2.034 0.000) 2.075 3.780 ( -1.965 7.230 0.000) 7.492 3.793 ( 1.098 4.628 0.000) 4.756 4.057 ( -4.809 -2.304 0.000) 5.332 4.063 ( -0.321 -1.291 0.000) 1.330 5.075 ( 0.314 15.616 0.000) 15.620 5.273 ( 2.663 13.412 0.000) 13.673 5.584 ( 0.926 7.988 0.000) 8.041 5.612 ( -3.929 8.450 0.000) 9.318 6.029 ( -8.394 5.491 0.000) 10.030 6.061 ( -5.593 16.291 0.000) 17.224 6.234 ( 0.648 12.803 0.000) 12.819 6.270 ( 2.043 14.592 0.000) 14.734 6.370 ( 2.570 15.952 0.000) 16.158 6.432 ( 1.275 12.443 0.000) 12.508 6.635 ( 11.055 1.362 0.000) 11.139 6.776 ( -0.151 7.977 0.000) 7.979 6.776 ( -4.552 17.972 0.000) 18.540 6.881 ( 0.468 1.837 0.000) 1.895 7.171 ( -5.410 7.059 0.000) 8.894 7.190 ( -0.267 -13.773 0.000) 13.776 7.521 ( 3.971 -2.652 0.000) 4.776 7.730 ( -5.469 -5.810 0.000) 7.979 7.934 ( -1.784 -0.113 0.000) 1.787 7.996 ( 0.313 -1.395 0.000) 1.430 8.116 ( 6.019 5.861 0.000) 8.401 8.338 ( 2.038 -16.982 0.000) 17.103 8.386 ( 1.491 -5.193 0.000) 5.403 8.513 ( 1.564 -2.664 0.000) 3.089 8.737 ( -2.553 -12.680 0.000) 12.934 8.847 ( -2.646 -12.157 0.000) 12.441 9.187 ( 2.466 -3.118 0.000) 3.975 9.364 ( 4.361 38.977 0.000) 39.220 9.483 ( -5.536 -20.170 0.000) 20.916 9.662 ( 2.717 12.423 0.000) 12.717 9.682 ( 5.826 12.562 0.000) 13.847 9.931 ( 7.374 5.695 0.000) 9.317 9.934 ( 0.647 17.025 0.000) 17.037 10.016 ( -2.601 12.685 0.000) 12.949 10.156 ( 8.304 11.024 0.000) 13.802 10.218 ( 4.451 15.820 0.000) 16.434 10.545 ( 2.581 16.517 0.000) 16.717 10.591 ( -8.473 8.371 0.000) 11.911 10.645 ( 1.552 3.797 0.000) 4.102 10.723 ( 0.700 4.706 0.000) 4.758 10.833 ( -5.254 4.788 0.000) 7.108 10.862 ( -5.585 2.933 0.000) 6.308 11.031 ( 2.126 10.529 0.000) 10.741 11.081 ( 2.785 -6.476 0.000) 7.049 11.182 ( 8.555 7.954 0.000) 11.682 11.331 ( -0.379 2.341 0.000) 2.372 11.468 ( 2.265 6.400 0.000) 6.789 11.600 ( -4.614 -8.357 0.000) 9.546 11.848 ( 3.915 3.190 0.000) 5.050 11.997 ( -2.078 8.491 0.000) 8.741 12.058 ( -5.694 10.988 0.000) 12.376 12.203 ( -0.220 15.458 0.000) 15.459 12.348 ( -3.100 0.058 0.000) 3.100 12.402 ( -1.354 1.518 0.000) 2.034 12.500 ( -4.455 6.005 0.000) 7.478 12.519 ( -2.113 -3.297 0.000) 3.916 12.829 ( 0.819 10.914 0.000) 10.945 13.071 ( -9.649 9.790 0.000) 13.746 13.235 ( -8.406 0.783 0.000) 8.443 13.264 ( -4.426 7.382 0.000) 8.607 13.333 ( -0.442 12.240 0.000) 12.248 13.491 ( -4.254 9.546 0.000) 10.451 13.717 ( 12.039 -0.303 0.000) 12.042 13.829 ( 14.123 -4.496 0.000) 14.821 14.296 ( -1.733 -9.761 0.000) 9.914 14.383 ( -7.554 -8.158 0.000) 11.119 14.607 ( 1.895 -12.688 0.000) 12.828 14.609 ( 0.564 -12.331 0.000) 12.344 16.336 ( 2.252 -8.249 0.000) 8.551 16.576 ( -5.238 -13.340 0.000) 14.332 16.865 ( 1.929 -14.448 0.000) 14.576 17.005 ( 0.963 -16.086 0.000) 16.115 17.102 ( 10.680 -11.551 0.000) 15.732 17.282 ( -3.093 -14.494 0.000) 14.820 17.307 ( -1.457 -16.060 0.000) 16.126 17.627 ( -2.971 -20.866 0.000) 21.076 ======================= Grid point 32 (21/81) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( 0.811 5.242 0.000) 5.304 3.526 ( -1.201 2.454 0.000) 2.732 3.630 ( 5.552 0.627 0.000) 5.587 3.714 ( -2.072 -0.578 0.000) 2.151 3.786 ( 2.795 5.089 0.000) 5.806 3.848 ( 1.882 1.492 0.000) 2.402 3.937 ( -3.764 -0.137 0.000) 3.767 4.005 ( -5.020 -1.491 0.000) 5.237 5.144 ( 6.489 12.158 0.000) 13.781 5.286 ( -4.152 9.874 0.000) 10.712 5.538 ( -0.471 10.422 0.000) 10.433 5.577 ( -1.890 7.959 0.000) 8.180 5.920 ( -1.469 6.317 0.000) 6.486 5.950 ( -3.907 10.086 0.000) 10.817 6.234 ( 0.124 18.734 0.000) 18.735 6.261 ( -2.197 21.657 0.000) 21.769 6.481 ( 6.569 13.887 0.000) 15.362 6.495 ( 3.916 14.911 0.000) 15.416 6.669 ( -4.478 16.856 0.000) 17.440 6.695 ( -4.923 17.007 0.000) 17.705 6.909 ( 10.920 -10.070 0.000) 14.854 6.929 ( 3.688 3.686 0.000) 5.214 7.057 ( -4.338 4.804 0.000) 6.473 7.135 ( -5.805 -12.975 0.000) 14.215 7.585 ( 1.928 -0.009 0.000) 1.928 7.631 ( -3.431 0.255 0.000) 3.440 7.921 ( 0.956 1.233 0.000) 1.560 7.964 ( -2.597 2.339 0.000) 3.495 8.270 ( 7.652 -0.612 0.000) 7.676 8.382 ( -2.743 -5.240 0.000) 5.915 8.402 ( 4.359 -14.127 0.000) 14.784 8.504 ( -3.730 -11.040 0.000) 11.653 8.714 ( 1.694 -12.023 0.000) 12.142 8.781 ( -3.605 -12.626 0.000) 13.131 9.255 ( 4.032 -5.042 0.000) 6.456 9.354 ( -5.466 -7.543 0.000) 9.315 9.499 ( 7.307 30.498 0.000) 31.361 9.641 ( -5.107 25.978 0.000) 26.475 9.791 ( 4.513 16.015 0.000) 16.639 9.884 ( -4.623 19.405 0.000) 19.948 10.054 ( 5.995 3.424 0.000) 6.904 10.107 ( 5.060 5.811 0.000) 7.705 10.340 ( 6.986 10.366 0.000) 12.500 10.341 ( 5.261 14.141 0.000) 15.088 10.465 ( -0.051 6.388 0.000) 6.389 10.612 ( 3.342 14.004 0.000) 14.397 10.621 ( -7.619 10.018 0.000) 12.586 10.685 ( -4.036 2.254 0.000) 4.623 10.724 ( -1.803 4.329 0.000) 4.690 10.749 ( -4.267 2.217 0.000) 4.809 11.139 ( 7.430 0.846 0.000) 7.478 11.149 ( 3.962 -6.076 0.000) 7.254 11.272 ( -4.198 -0.198 0.000) 4.203 11.291 ( -0.921 3.334 0.000) 3.458 11.538 ( 0.854 -2.674 0.000) 2.807 11.547 ( 3.335 5.014 0.000) 6.022 11.857 ( -2.904 4.542 0.000) 5.390 11.906 ( -5.963 7.957 0.000) 9.943 12.041 ( 5.748 10.090 0.000) 11.612 12.165 ( -4.464 10.950 0.000) 11.825 12.298 ( -0.743 2.232 0.000) 2.352 12.332 ( -3.970 -1.144 0.000) 4.132 12.447 ( -0.547 3.851 0.000) 3.890 12.462 ( -2.269 -2.264 0.000) 3.205 12.847 ( 1.207 12.964 0.000) 13.020 12.906 ( -5.231 12.619 0.000) 13.660 13.144 ( -1.008 5.943 0.000) 6.028 13.172 ( -3.364 7.226 0.000) 7.971 13.352 ( 1.479 12.416 0.000) 12.503 13.402 ( -3.598 10.956 0.000) 11.532 13.963 ( 11.536 -3.733 0.000) 12.125 14.076 ( 8.856 -8.287 0.000) 12.129 14.199 ( -9.457 -3.664 0.000) 10.142 14.231 ( -4.726 -7.468 0.000) 8.837 14.622 ( 0.561 -13.020 0.000) 13.032 14.627 ( 0.204 -13.397 0.000) 13.399 16.397 ( 3.446 -9.833 0.000) 10.419 16.476 ( -4.279 -11.535 0.000) 12.304 16.927 ( 3.830 -14.964 0.000) 15.446 16.999 ( -2.188 -15.879 0.000) 16.029 17.238 ( -0.244 -14.186 0.000) 14.188 17.266 ( -2.206 -15.057 0.000) 15.218 17.333 ( 10.712 -15.004 0.000) 18.436 17.523 ( -7.211 -18.259 0.000) 19.631 ======================= Grid point 35 (22/81) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 0.000 1.280 0.000) 1.280 3.527 ( 0.000 -1.213 0.000) 1.213 3.583 ( 0.000 3.288 0.000) 3.288 3.673 ( 0.000 -2.105 0.000) 2.105 3.900 ( 0.000 4.889 0.000) 4.889 3.929 ( 0.000 4.564 0.000) 4.564 4.038 ( 0.000 -1.316 0.000) 1.316 4.051 ( 0.000 -3.061 0.000) 3.061 5.389 ( 0.000 13.784 0.000) 13.784 5.493 ( 0.000 10.655 0.000) 10.655 5.674 ( 0.000 1.384 0.000) 1.384 5.714 ( 0.000 -0.317 0.000) 0.317 6.285 ( 0.000 6.409 0.000) 6.409 6.356 ( 0.000 6.620 0.000) 6.620 6.404 ( 0.000 6.602 0.000) 6.602 6.453 ( 0.000 14.049 0.000) 14.049 6.504 ( 0.000 0.823 0.000) 0.823 6.571 ( 0.000 -3.944 0.000) 3.944 6.602 ( 0.000 5.762 0.000) 5.762 6.861 ( 0.000 -5.967 0.000) 5.967 6.948 ( 0.000 16.311 0.000) 16.311 6.959 ( 0.000 -0.299 0.000) 0.299 7.240 ( 0.000 15.547 0.000) 15.547 7.448 ( 0.000 11.362 0.000) 11.362 7.451 ( 0.000 0.829 0.000) 0.829 7.611 ( 0.000 -3.562 0.000) 3.562 7.869 ( 0.000 -22.892 0.000) 22.892 7.880 ( 0.000 -3.267 0.000) 3.267 7.922 ( 0.000 -1.733 0.000) 1.733 8.167 ( 0.000 -2.578 0.000) 2.578 8.389 ( 0.000 2.443 0.000) 2.443 8.439 ( 0.000 -11.130 0.000) 11.130 8.550 ( 0.000 -2.382 0.000) 2.382 8.708 ( 0.000 -1.326 0.000) 1.326 8.943 ( 0.000 -30.574 0.000) 30.574 9.020 ( 0.000 -9.533 0.000) 9.533 9.759 ( 0.000 7.451 0.000) 7.451 9.769 ( 0.000 7.157 0.000) 7.157 9.882 ( 0.000 6.211 0.000) 6.211 9.988 ( 0.000 -2.078 0.000) 2.078 10.075 ( 0.000 20.589 0.000) 20.589 10.244 ( 0.000 5.458 0.000) 5.458 10.426 ( 0.000 16.751 0.000) 16.751 10.518 ( 0.000 11.230 0.000) 11.230 10.629 ( 0.000 2.188 0.000) 2.188 10.728 ( 0.000 -2.522 0.000) 2.522 10.764 ( 0.000 7.875 0.000) 7.875 10.811 ( 0.000 0.925 0.000) 0.925 10.995 ( 0.000 4.403 0.000) 4.403 11.022 ( 0.000 7.082 0.000) 7.082 11.088 ( 0.000 8.816 0.000) 8.816 11.175 ( 0.000 1.183 0.000) 1.183 11.193 ( 0.000 2.967 0.000) 2.967 11.465 ( 0.000 9.630 0.000) 9.630 11.472 ( 0.000 -9.563 0.000) 9.563 11.614 ( 0.000 8.642 0.000) 8.642 11.824 ( 0.000 0.143 0.000) 0.143 12.151 ( 0.000 5.875 0.000) 5.875 12.200 ( 0.000 -6.897 0.000) 6.897 12.311 ( 0.000 -1.986 0.000) 1.986 12.445 ( 0.000 2.879 0.000) 2.879 12.478 ( 0.000 -2.189 0.000) 2.189 12.548 ( 0.000 6.553 0.000) 6.553 12.584 ( 0.000 1.565 0.000) 1.565 13.010 ( 0.000 9.305 0.000) 9.305 13.243 ( 0.000 -4.913 0.000) 4.913 13.374 ( 0.000 10.601 0.000) 10.601 13.527 ( 0.000 5.864 0.000) 5.864 13.527 ( 0.000 8.134 0.000) 8.134 13.620 ( 0.000 4.946 0.000) 4.946 13.737 ( 0.000 10.686 0.000) 10.686 13.809 ( 0.000 12.223 0.000) 12.223 14.165 ( 0.000 -3.216 0.000) 3.216 14.306 ( 0.000 -6.686 0.000) 6.686 14.387 ( 0.000 -7.714 0.000) 7.714 14.390 ( 0.000 -9.719 0.000) 9.719 16.269 ( 0.000 3.703 0.000) 3.703 16.400 ( 0.000 -8.363 0.000) 8.363 16.570 ( 0.000 -13.698 0.000) 13.698 16.693 ( 0.000 -14.031 0.000) 14.031 16.826 ( 0.000 -4.036 0.000) 4.036 17.017 ( 0.000 -13.488 0.000) 13.488 17.073 ( 0.000 -9.400 0.000) 9.400 17.244 ( 0.000 -18.406 0.000) 18.406 ======================= Grid point 36 (23/81) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 2.339 0.825 0.000) 2.480 3.550 ( 2.257 -0.955 0.000) 2.451 3.583 ( -0.030 3.370 0.000) 3.370 3.683 ( 0.820 -2.298 0.000) 2.440 3.880 ( -1.286 3.968 0.000) 4.171 3.900 ( -2.142 4.875 0.000) 5.325 4.008 ( -3.819 -2.710 0.000) 4.683 4.029 ( -1.431 -2.186 0.000) 2.613 5.367 ( -1.302 13.631 0.000) 13.693 5.503 ( 0.324 9.750 0.000) 9.755 5.669 ( -0.531 0.356 0.000) 0.640 5.696 ( -2.185 0.595 0.000) 2.265 6.149 ( -6.951 7.032 0.000) 9.887 6.279 ( -8.775 8.258 0.000) 12.050 6.455 ( 3.826 1.054 0.000) 3.968 6.493 ( 5.516 2.912 0.000) 6.237 6.508 ( 6.796 7.099 0.000) 9.828 6.696 ( 3.745 12.699 0.000) 13.239 6.712 ( 7.012 5.199 0.000) 8.729 6.838 ( -2.172 -4.850 0.000) 5.314 6.953 ( 0.464 1.656 0.000) 1.720 6.987 ( 2.881 13.480 0.000) 13.784 7.205 ( -3.166 13.663 0.000) 14.025 7.357 ( -7.728 9.730 0.000) 12.426 7.469 ( 1.996 -1.516 0.000) 2.506 7.632 ( 0.818 -2.406 0.000) 2.542 7.848 ( -0.732 -12.213 0.000) 12.235 7.892 ( 0.866 -5.953 0.000) 6.015 7.997 ( 5.589 -9.214 0.000) 10.777 8.190 ( 2.110 -3.529 0.000) 4.112 8.353 ( -2.601 -0.882 0.000) 2.747 8.418 ( -3.360 -8.315 0.000) 8.968 8.529 ( -0.915 -3.978 0.000) 4.082 8.673 ( -3.014 -1.187 0.000) 3.240 8.971 ( 2.209 -26.504 0.000) 26.595 9.020 ( 0.015 -11.197 0.000) 11.197 9.828 ( 5.558 9.627 0.000) 11.116 9.853 ( 8.321 8.079 0.000) 11.598 9.938 ( 5.105 7.415 0.000) 9.002 10.066 ( 5.961 0.158 0.000) 5.963 10.136 ( 5.202 15.946 0.000) 16.773 10.292 ( 4.998 3.469 0.000) 6.084 10.344 ( -5.990 14.285 0.000) 15.490 10.473 ( -2.618 8.848 0.000) 9.227 10.704 ( 4.893 3.836 0.000) 6.217 10.764 ( 2.349 -0.835 0.000) 2.493 10.767 ( -3.960 9.799 0.000) 10.569 10.815 ( -3.801 8.908 0.000) 9.685 10.894 ( 4.031 -1.682 0.000) 4.367 10.950 ( -6.480 6.591 0.000) 9.243 11.033 ( -6.832 3.565 0.000) 7.706 11.133 ( -3.938 -0.844 0.000) 4.027 11.311 ( 7.472 3.435 0.000) 8.224 11.435 ( -2.624 -7.784 0.000) 8.215 11.470 ( -0.874 10.624 0.000) 10.660 11.612 ( 1.179 7.632 0.000) 7.722 11.867 ( 3.038 -0.868 0.000) 3.159 12.130 ( -5.055 -6.351 0.000) 8.118 12.139 ( -1.704 6.262 0.000) 6.490 12.316 ( -0.236 -2.041 0.000) 2.055 12.392 ( -3.726 3.201 0.000) 4.912 12.452 ( -6.224 5.948 0.000) 8.609 12.465 ( -1.673 -2.133 0.000) 2.711 12.583 ( -1.841 2.435 0.000) 3.053 13.041 ( 2.494 9.719 0.000) 10.033 13.232 ( -0.295 -0.529 0.000) 0.606 13.289 ( -6.416 11.601 0.000) 13.257 13.410 ( -5.467 6.702 0.000) 8.649 13.577 ( 1.281 10.232 0.000) 10.312 13.704 ( -2.829 11.592 0.000) 11.932 13.729 ( 7.525 0.288 0.000) 7.530 13.884 ( 5.650 6.070 0.000) 8.293 14.173 ( 0.527 -2.022 0.000) 2.090 14.262 ( -3.647 -3.990 0.000) 5.406 14.394 ( 0.302 -9.604 0.000) 9.609 14.397 ( 0.536 -8.748 0.000) 8.765 16.276 ( 0.624 2.680 0.000) 2.752 16.368 ( -2.407 -6.246 0.000) 6.694 16.588 ( 1.686 -13.620 0.000) 13.724 16.698 ( 0.207 -14.844 0.000) 14.845 16.905 ( 6.530 -7.188 0.000) 9.711 17.017 ( -0.049 -12.349 0.000) 12.349 17.046 ( -2.046 -8.440 0.000) 8.685 17.235 ( -1.229 -17.615 0.000) 17.658 ======================= Grid point 37 (24/81) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 1.486 1.480 0.000) 2.097 3.580 ( -0.370 3.189 0.000) 3.210 3.620 ( 4.025 -1.254 0.000) 4.216 3.684 ( -1.477 -2.209 0.000) 2.657 3.869 ( -0.262 3.408 0.000) 3.418 3.877 ( 0.852 1.465 0.000) 1.694 3.926 ( -2.357 -0.897 0.000) 2.522 3.970 ( -3.876 -2.034 0.000) 4.377 5.376 ( 2.764 11.099 0.000) 11.438 5.465 ( -4.353 8.162 0.000) 9.250 5.645 ( -1.372 0.789 0.000) 1.582 5.649 ( -1.152 -0.651 0.000) 1.323 6.081 ( 0.436 10.530 0.000) 10.539 6.137 ( -4.643 10.553 0.000) 11.529 6.582 ( 7.330 -5.139 0.000) 8.952 6.604 ( 4.551 10.253 0.000) 11.217 6.653 ( 3.505 -7.784 0.000) 8.536 6.695 ( -2.967 19.516 0.000) 19.740 6.789 ( -0.435 6.355 0.000) 6.369 6.819 ( 1.936 9.264 0.000) 9.464 7.006 ( 3.668 4.277 0.000) 5.634 7.020 ( 0.628 12.546 0.000) 12.561 7.126 ( -3.351 10.844 0.000) 11.350 7.181 ( -7.781 7.020 0.000) 10.480 7.541 ( 4.373 -3.699 0.000) 5.728 7.616 ( -2.396 -2.016 0.000) 3.132 7.853 ( 1.310 -8.096 0.000) 8.201 7.890 ( -1.445 -8.178 0.000) 8.305 8.131 ( 7.248 -10.104 0.000) 12.435 8.246 ( 2.991 -4.819 0.000) 5.672 8.284 ( -6.082 -8.138 0.000) 10.160 8.310 ( -4.085 -5.303 0.000) 6.694 8.541 ( 2.020 -2.081 0.000) 2.900 8.602 ( -3.479 -1.126 0.000) 3.656 9.009 ( 1.159 -20.262 0.000) 20.296 9.020 ( -0.076 -15.124 0.000) 15.124 9.966 ( 6.593 14.315 0.000) 15.760 10.026 ( 4.197 11.966 0.000) 12.680 10.059 ( 5.543 8.518 0.000) 10.162 10.137 ( -0.303 5.652 0.000) 5.660 10.241 ( -1.250 14.431 0.000) 14.485 10.261 ( 4.452 10.584 0.000) 11.482 10.446 ( 8.475 0.600 0.000) 8.496 10.498 ( 4.506 1.854 0.000) 4.872 10.592 ( -4.505 6.732 0.000) 8.100 10.703 ( -9.191 1.882 0.000) 9.382 10.721 ( -3.886 0.879 0.000) 3.984 10.773 ( -6.624 -1.181 0.000) 6.729 10.873 ( 0.229 6.996 0.000) 7.000 10.884 ( -1.974 10.279 0.000) 10.467 11.075 ( 8.280 -1.126 0.000) 8.357 11.093 ( 2.564 -4.751 0.000) 5.399 11.304 ( -3.977 1.503 0.000) 4.251 11.373 ( -7.678 10.048 0.000) 12.646 11.524 ( 8.371 -1.472 0.000) 8.500 11.653 ( -1.320 2.728 0.000) 3.030 11.900 ( 2.795 1.918 0.000) 3.390 12.042 ( -7.754 6.384 0.000) 10.044 12.124 ( 5.474 -4.106 0.000) 6.842 12.265 ( -5.598 -4.055 0.000) 6.912 12.322 ( -1.814 5.377 0.000) 5.675 12.344 ( -3.494 6.358 0.000) 7.255 12.457 ( 1.867 -0.247 0.000) 1.884 12.520 ( -3.614 1.208 0.000) 3.810 13.097 ( 2.847 11.230 0.000) 11.585 13.169 ( -4.525 12.556 0.000) 13.347 13.249 ( 1.956 3.654 0.000) 4.144 13.311 ( -3.951 5.559 0.000) 6.820 13.601 ( 1.308 11.886 0.000) 11.958 13.642 ( -2.691 12.639 0.000) 12.922 13.884 ( 6.828 -4.258 0.000) 8.047 13.966 ( 0.411 -3.830 0.000) 3.852 14.176 ( -0.257 1.168 0.000) 1.196 14.187 ( -2.404 1.835 0.000) 3.024 14.401 ( 0.278 -9.429 0.000) 9.433 14.403 ( 0.081 -9.306 0.000) 9.307 16.294 ( 1.086 0.210 0.000) 1.106 16.323 ( -1.789 -2.893 0.000) 3.401 16.636 ( 2.694 -14.528 0.000) 14.776 16.685 ( -1.652 -15.644 0.000) 15.731 17.009 ( 0.136 -9.881 0.000) 9.882 17.013 ( -0.796 -7.675 0.000) 7.716 17.059 ( 6.707 -11.648 0.000) 13.441 17.179 ( -4.362 -15.382 0.000) 15.988 ======================= Grid point 40 (25/81) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 0.000 -0.736 0.000) 0.736 3.508 ( 0.000 0.736 0.000) 0.736 3.633 ( 0.000 -2.055 0.000) 2.055 3.633 ( 0.000 2.055 0.000) 2.055 3.984 ( 0.000 -3.769 0.000) 3.769 3.984 ( 0.000 3.769 0.000) 3.769 3.999 ( 0.000 -2.686 0.000) 2.686 3.999 ( 0.000 2.686 0.000) 2.686 5.608 ( 0.000 -7.856 0.000) 7.856 5.608 ( 0.000 7.856 0.000) 7.856 5.655 ( 0.000 -5.656 0.000) 5.656 5.655 ( 0.000 5.656 0.000) 5.656 6.429 ( 0.000 -7.486 0.000) 7.486 6.429 ( 0.000 7.486 0.000) 7.486 6.468 ( 0.000 -3.575 0.000) 3.575 6.468 ( 0.000 3.575 0.000) 3.575 6.541 ( 0.000 -7.167 0.000) 7.167 6.541 ( 0.000 7.167 0.000) 7.167 6.682 ( 0.000 -9.868 0.000) 9.868 6.682 ( 0.000 9.868 0.000) 9.868 7.170 ( 0.000 -13.692 0.000) 13.692 7.170 ( 0.000 13.692 0.000) 13.692 7.329 ( 0.000 -19.007 0.000) 19.007 7.329 ( 0.000 19.007 0.000) 19.007 7.576 ( 0.000 -2.616 0.000) 2.616 7.576 ( 0.000 2.616 0.000) 2.616 7.800 ( 0.000 -9.211 0.000) 9.211 7.800 ( 0.000 9.211 0.000) 9.211 7.995 ( 0.000 -10.000 0.000) 10.000 7.995 ( 0.000 10.000 0.000) 10.000 8.358 ( 0.000 -6.519 0.000) 6.519 8.358 ( 0.000 6.519 0.000) 6.519 8.544 ( 0.000 -3.761 0.000) 3.761 8.544 ( 0.000 3.761 0.000) 3.761 8.824 ( 0.000 -9.729 0.000) 9.729 8.824 ( 0.000 9.729 0.000) 9.729 9.878 ( 0.000 -3.585 0.000) 3.585 9.878 ( 0.000 3.585 0.000) 3.585 9.898 ( 0.000 -6.345 0.000) 6.345 9.898 ( 0.000 6.345 0.000) 6.345 10.300 ( 0.000 -1.307 0.000) 1.307 10.300 ( 0.000 1.307 0.000) 1.307 10.622 ( 0.000 -0.680 0.000) 0.680 10.622 ( 0.000 0.680 0.000) 0.680 10.672 ( 0.000 -1.030 0.000) 1.030 10.672 ( 0.000 1.030 0.000) 1.030 10.830 ( 0.000 -0.727 0.000) 0.727 10.830 ( 0.000 0.727 0.000) 0.727 11.125 ( 0.000 -6.195 0.000) 6.195 11.125 ( 0.000 6.195 0.000) 6.195 11.131 ( 0.000 -4.273 0.000) 4.273 11.131 ( 0.000 4.273 0.000) 4.273 11.287 ( 0.000 -8.975 0.000) 8.975 11.287 ( 0.000 8.975 0.000) 8.975 11.642 ( 0.000 -6.541 0.000) 6.541 11.642 ( 0.000 6.541 0.000) 6.541 11.952 ( 0.000 -13.527 0.000) 13.527 11.952 ( 0.000 13.527 0.000) 13.527 12.248 ( 0.000 -4.125 0.000) 4.125 12.248 ( 0.000 4.125 0.000) 4.125 12.458 ( 0.000 -0.001 0.000) 0.001 12.458 ( 0.000 0.001 0.000) 0.001 12.620 ( 0.000 -0.205 0.000) 0.205 12.620 ( 0.000 0.205 0.000) 0.205 13.159 ( 0.000 -5.487 0.000) 5.487 13.159 ( 0.000 5.487 0.000) 5.487 13.561 ( 0.000 -5.645 0.000) 5.645 13.561 ( 0.000 5.645 0.000) 5.645 13.621 ( 0.000 -3.242 0.000) 3.242 13.621 ( 0.000 3.242 0.000) 3.242 13.909 ( 0.000 -3.988 0.000) 3.988 13.909 ( 0.000 3.988 0.000) 3.988 14.218 ( 0.000 -7.329 0.000) 7.329 14.218 ( 0.000 7.329 0.000) 7.329 14.265 ( 0.000 -3.595 0.000) 3.595 14.265 ( 0.000 3.595 0.000) 3.595 16.368 ( 0.000 -5.255 0.000) 5.255 16.368 ( 0.000 5.255 0.000) 5.255 16.436 ( 0.000 -11.888 0.000) 11.888 16.436 ( 0.000 11.888 0.000) 11.888 16.830 ( 0.000 -4.917 0.000) 4.917 16.830 ( 0.000 4.917 0.000) 4.917 17.007 ( 0.000 -4.154 0.000) 4.154 17.007 ( 0.000 4.154 0.000) 4.154 ======================= Grid point 42 (26/81) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( 2.257 -0.752 0.000) 2.379 3.533 ( 2.257 0.752 0.000) 2.379 3.638 ( 0.338 -2.395 0.000) 2.418 3.638 ( 0.338 2.395 0.000) 2.418 3.950 ( -2.756 -3.188 0.000) 4.214 3.950 ( -2.756 3.188 0.000) 4.214 3.977 ( -2.049 -3.150 0.000) 3.757 3.977 ( -2.049 3.150 0.000) 3.757 5.589 ( -1.616 -8.287 0.000) 8.443 5.589 ( -1.616 8.287 0.000) 8.443 5.650 ( -1.206 -5.078 0.000) 5.220 5.650 ( -1.206 5.078 0.000) 5.220 6.304 ( -2.845 -8.578 0.000) 9.038 6.304 ( -2.845 8.578 0.000) 9.038 6.447 ( -4.603 -8.886 0.000) 10.008 6.447 ( -4.603 8.886 0.000) 10.008 6.671 ( 10.477 -7.557 0.000) 12.918 6.671 ( 10.477 7.557 0.000) 12.918 6.802 ( 7.009 -3.976 0.000) 8.058 6.802 ( 7.009 3.976 0.000) 8.058 7.164 ( -0.745 -13.899 0.000) 13.919 7.164 ( -0.745 13.899 0.000) 13.919 7.304 ( -2.789 -14.571 0.000) 14.835 7.304 ( -2.789 14.571 0.000) 14.835 7.571 ( 0.206 -9.561 0.000) 9.564 7.571 ( 0.206 9.561 0.000) 9.564 7.769 ( -2.816 -9.637 0.000) 10.040 7.769 ( -2.816 9.637 0.000) 10.040 8.025 ( 2.812 -8.534 0.000) 8.985 8.025 ( 2.812 8.534 0.000) 8.985 8.312 ( -3.880 -3.803 0.000) 5.434 8.312 ( -3.880 3.803 0.000) 5.434 8.588 ( 3.523 -10.433 0.000) 11.012 8.588 ( 3.523 10.433 0.000) 11.012 8.797 ( -2.340 -10.603 0.000) 10.858 8.797 ( -2.340 10.603 0.000) 10.858 9.953 ( 6.944 -3.540 0.000) 7.794 9.953 ( 6.944 3.540 0.000) 7.794 9.997 ( 8.537 -6.157 0.000) 10.525 9.997 ( 8.537 6.157 0.000) 10.525 10.320 ( 2.308 -1.871 0.000) 2.971 10.320 ( 2.308 1.871 0.000) 2.971 10.524 ( -5.552 -3.988 0.000) 6.835 10.524 ( -5.552 3.988 0.000) 6.835 10.752 ( 3.787 -1.104 0.000) 3.945 10.752 ( 3.787 1.104 0.000) 3.945 10.850 ( -0.988 -1.429 0.000) 1.737 10.850 ( -0.988 1.429 0.000) 1.738 11.029 ( -4.662 -7.392 0.000) 8.740 11.029 ( -4.662 7.392 0.000) 8.740 11.064 ( -5.898 -5.057 0.000) 7.769 11.064 ( -5.898 5.057 0.000) 7.769 11.336 ( 3.029 -1.735 0.000) 3.491 11.336 ( 3.029 1.735 0.000) 3.491 11.653 ( -0.061 -5.825 0.000) 5.826 11.653 ( -0.061 5.825 0.000) 5.826 11.930 ( -0.669 -9.636 0.000) 9.659 11.930 ( -0.669 9.636 0.000) 9.659 12.248 ( -0.850 -4.645 0.000) 4.722 12.248 ( -0.850 4.645 0.000) 4.722 12.428 ( -2.283 -1.621 0.000) 2.800 12.428 ( -2.283 1.621 0.000) 2.800 12.571 ( -4.173 -3.991 0.000) 5.774 12.571 ( -4.173 3.991 0.000) 5.774 13.187 ( 2.474 -4.787 0.000) 5.388 13.187 ( 2.474 4.787 0.000) 5.388 13.457 ( -6.243 -3.565 0.000) 7.189 13.457 ( -6.243 3.565 0.000) 7.189 13.700 ( 4.323 -3.159 0.000) 5.354 13.700 ( 4.323 3.159 0.000) 5.355 13.900 ( -1.090 -6.239 0.000) 6.334 13.900 ( -1.090 6.239 0.000) 6.334 14.229 ( 0.959 -6.775 0.000) 6.842 14.229 ( 0.959 6.775 0.000) 6.842 14.263 ( -0.130 -4.441 0.000) 4.443 14.263 ( -0.130 4.441 0.000) 4.443 16.372 ( 0.461 -6.696 0.000) 6.712 16.372 ( 0.461 6.696 0.000) 6.712 16.430 ( -0.607 -11.853 0.000) 11.868 16.430 ( -0.607 11.853 0.000) 11.868 16.859 ( 2.568 -3.005 0.000) 3.953 16.859 ( 2.568 3.005 0.000) 3.953 17.001 ( -0.707 -4.890 0.000) 4.941 17.001 ( -0.707 4.890 0.000) 4.941 ======================= Grid point 44 (27/81) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 2.958 -1.515 0.000) 3.324 3.591 ( 2.958 1.515 0.000) 3.324 3.636 ( -0.981 -2.613 0.000) 2.791 3.636 ( -0.981 2.613 0.000) 2.791 3.904 ( -0.814 -1.269 0.000) 1.508 3.904 ( -0.814 1.269 0.000) 1.508 3.926 ( -2.397 -2.481 0.000) 3.450 3.926 ( -2.397 2.481 0.000) 3.450 5.564 ( -0.086 -7.492 0.000) 7.492 5.564 ( -0.086 7.492 0.000) 7.492 5.598 ( -2.983 -5.028 0.000) 5.846 5.598 ( -2.983 5.028 0.000) 5.846 6.321 ( 3.043 -13.419 0.000) 13.759 6.321 ( 3.043 13.419 0.000) 13.759 6.381 ( -2.517 -14.146 0.000) 14.368 6.381 ( -2.517 14.146 0.000) 14.368 6.857 ( 6.880 -7.282 0.000) 10.018 6.857 ( 6.880 7.282 0.000) 10.018 6.912 ( 2.430 -2.493 0.000) 3.481 6.912 ( 2.430 2.493 0.000) 3.481 7.145 ( 0.022 -10.670 0.000) 10.670 7.145 ( 0.022 10.670 0.000) 10.670 7.212 ( -5.359 -6.207 0.000) 8.200 7.212 ( -5.359 6.207 0.000) 8.200 7.608 ( 3.344 -12.536 0.000) 12.974 7.608 ( 3.344 12.536 0.000) 12.974 7.692 ( -4.290 -11.066 0.000) 11.868 7.692 ( -4.290 11.066 0.000) 11.868 8.106 ( 4.843 -5.781 0.000) 7.542 8.106 ( 4.843 5.781 0.000) 7.542 8.214 ( -5.249 -2.963 0.000) 6.028 8.214 ( -5.249 2.963 0.000) 6.028 8.666 ( 3.723 -13.149 0.000) 13.666 8.666 ( 3.723 13.149 0.000) 13.666 8.738 ( -3.201 -12.278 0.000) 12.688 8.738 ( -3.201 12.278 0.000) 12.688 10.120 ( 7.222 -2.124 0.000) 7.528 10.120 ( 7.222 2.124 0.000) 7.528 10.168 ( 4.553 -3.223 0.000) 5.578 10.168 ( 4.553 3.223 0.000) 5.578 10.415 ( 6.584 -3.846 0.000) 7.625 10.415 ( 6.584 3.846 0.000) 7.625 10.452 ( 0.344 -6.508 0.000) 6.517 10.452 ( 0.344 6.508 0.000) 6.517 10.703 ( -8.884 -5.024 0.000) 10.206 10.703 ( -8.884 5.024 0.000) 10.206 10.721 ( -7.920 -0.774 0.000) 7.958 10.721 ( -7.920 0.774 0.000) 7.958 10.991 ( 1.275 -5.422 0.000) 5.570 10.991 ( 1.275 5.422 0.000) 5.570 11.023 ( 0.228 -4.777 0.000) 4.783 11.023 ( 0.228 4.778 0.000) 4.783 11.424 ( 6.374 -7.965 0.000) 10.202 11.424 ( 6.374 7.965 0.000) 10.202 11.579 ( -6.969 -8.969 0.000) 11.358 11.579 ( -6.969 8.969 0.000) 11.358 11.996 ( 7.022 -6.983 0.000) 9.903 11.996 ( 7.022 6.983 0.000) 9.903 12.163 ( -7.413 -5.819 0.000) 9.424 12.163 ( -7.413 5.819 0.000) 9.424 12.414 ( 1.512 -3.845 0.000) 4.131 12.414 ( 1.512 3.845 0.000) 4.131 12.477 ( -4.221 -5.287 0.000) 6.765 12.477 ( -4.221 5.287 0.000) 6.765 13.251 ( 3.572 -3.944 0.000) 5.321 13.251 ( 3.572 3.944 0.000) 5.321 13.338 ( -4.962 -3.668 0.000) 6.171 13.338 ( -4.962 3.668 0.000) 6.171 13.785 ( 3.881 -6.619 0.000) 7.672 13.785 ( 3.881 6.619 0.000) 7.672 13.858 ( -2.948 -8.344 0.000) 8.849 13.858 ( -2.948 8.344 0.000) 8.849 14.250 ( 0.824 -5.908 0.000) 5.965 14.250 ( 0.824 5.908 0.000) 5.965 14.260 ( -0.211 -5.416 0.000) 5.421 14.260 ( -0.211 5.416 0.000) 5.421 16.388 ( 1.061 -9.197 0.000) 9.258 16.388 ( 1.061 9.197 0.000) 9.258 16.412 ( -1.101 -11.095 0.000) 11.149 16.412 ( -1.101 11.095 0.000) 11.149 16.921 ( 3.029 -1.504 0.000) 3.382 16.921 ( 3.029 1.504 0.000) 3.382 16.974 ( -1.936 -4.377 0.000) 4.786 16.974 ( -1.936 4.377 0.000) 4.786 ======================= Grid point 85 (28/81) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 0.000 41.824) 41.824 0.952 ( 0.000 0.000 41.324) 41.324 1.625 ( 0.000 0.000 70.414) 70.414 2.439 ( 0.000 0.000 -22.008) 22.008 2.629 ( 0.000 0.000 -29.388) 29.388 3.103 ( 0.000 0.000 3.218) 3.218 3.207 ( 0.000 0.000 -1.271) 1.271 3.286 ( 0.000 0.000 0.749) 0.749 3.573 ( 0.000 0.000 6.741) 6.741 3.574 ( 0.000 0.000 4.472) 4.472 3.651 ( 0.000 0.000 0.202) 0.202 3.912 ( 0.000 0.000 -5.506) 5.506 3.995 ( 0.000 0.000 -5.209) 5.209 4.008 ( 0.000 0.000 -0.555) 0.555 4.344 ( 0.000 0.000 -11.585) 11.585 4.360 ( 0.000 0.000 -25.878) 25.878 4.444 ( 0.000 0.000 8.347) 8.347 4.608 ( 0.000 0.000 18.706) 18.706 4.676 ( 0.000 0.000 0.368) 0.368 5.175 ( 0.000 0.000 -3.242) 3.242 5.186 ( 0.000 0.000 3.554) 3.554 5.353 ( 0.000 0.000 -2.434) 2.434 5.492 ( 0.000 0.000 -5.884) 5.884 5.561 ( 0.000 0.000 5.946) 5.946 6.158 ( 0.000 0.000 3.094) 3.094 6.277 ( 0.000 0.000 -8.990) 8.990 6.513 ( 0.000 0.000 -3.619) 3.619 6.857 ( 0.000 0.000 -12.574) 12.574 7.402 ( 0.000 0.000 -5.847) 5.847 7.428 ( 0.000 0.000 -6.576) 6.576 7.974 ( 0.000 0.000 7.571) 7.571 8.054 ( 0.000 0.000 -3.201) 3.201 8.078 ( 0.000 0.000 0.925) 0.925 8.351 ( 0.000 0.000 19.467) 19.467 8.522 ( 0.000 0.000 -7.409) 7.409 8.650 ( 0.000 0.000 10.694) 10.694 8.681 ( 0.000 0.000 3.549) 3.549 8.824 ( 0.000 0.000 4.910) 4.910 8.904 ( 0.000 0.000 -2.172) 2.172 9.037 ( 0.000 0.000 3.990) 3.990 9.087 ( 0.000 0.000 -1.514) 1.514 9.333 ( 0.000 0.000 -6.238) 6.238 9.367 ( 0.000 0.000 6.032) 6.032 9.550 ( 0.000 0.000 -2.767) 2.767 10.146 ( 0.000 0.000 -1.868) 1.868 10.215 ( 0.000 0.000 -3.601) 3.601 10.255 ( 0.000 0.000 15.341) 15.341 10.372 ( 0.000 0.000 4.294) 4.294 10.501 ( 0.000 0.000 -0.646) 0.646 10.523 ( 0.000 0.000 -1.880) 1.880 10.532 ( 0.000 0.000 -1.496) 1.496 10.744 ( 0.000 0.000 7.881) 7.881 10.798 ( 0.000 0.000 -1.509) 1.509 10.841 ( 0.000 0.000 1.797) 1.797 10.866 ( 0.000 0.000 3.062) 3.062 11.350 ( 0.000 0.000 -8.810) 8.810 11.516 ( 0.000 0.000 -22.745) 22.745 11.584 ( 0.000 0.000 -6.280) 6.280 11.601 ( 0.000 0.000 -7.286) 7.286 11.643 ( 0.000 0.000 -11.917) 11.917 11.883 ( 0.000 0.000 5.198) 5.198 11.915 ( 0.000 0.000 4.751) 4.751 12.139 ( 0.000 0.000 -0.764) 0.764 12.172 ( 0.000 0.000 -1.379) 1.379 12.247 ( 0.000 0.000 20.783) 20.783 12.601 ( 0.000 0.000 8.230) 8.230 12.920 ( 0.000 0.000 8.258) 8.258 13.214 ( 0.000 0.000 -4.974) 4.974 13.443 ( 0.000 0.000 -0.975) 0.975 13.493 ( 0.000 0.000 -10.130) 10.130 14.193 ( 0.000 0.000 2.061) 2.061 14.237 ( 0.000 0.000 0.012) 0.012 15.888 ( 0.000 0.000 -4.231) 4.231 15.930 ( 0.000 0.000 -3.266) 3.266 16.336 ( 0.000 0.000 13.570) 13.570 16.700 ( 0.000 0.000 2.195) 2.195 17.410 ( 0.000 0.000 -4.589) 4.589 17.451 ( 0.000 0.000 -3.362) 3.362 17.945 ( 0.000 0.000 9.430) 9.430 18.394 ( 0.000 0.000 -10.428) 10.428 18.625 ( 0.000 0.000 -3.156) 3.156 18.673 ( 0.000 0.000 0.110) 0.110 19.075 ( 0.000 0.000 11.400) 11.400 19.523 ( 0.000 0.000 -6.653) 6.653 ======================= Grid point 86 (29/81) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 26.032 0.000 29.837) 39.597 1.273 ( 26.284 0.000 29.358) 39.405 2.152 ( 44.178 0.000 50.954) 67.438 2.525 ( 7.816 0.000 -19.546) 21.050 2.675 ( 4.824 0.000 -25.000) 25.461 2.979 ( -17.154 0.000 3.458) 17.499 3.090 ( -4.563 0.000 0.930) 4.657 3.211 ( -18.987 0.000 2.214) 19.116 3.333 ( -8.821 0.000 -5.178) 10.228 3.592 ( 0.755 0.000 1.329) 1.529 3.631 ( -1.727 0.000 0.033) 1.728 3.918 ( 11.577 0.000 7.472) 13.779 4.011 ( 0.432 0.000 -1.302) 1.372 4.213 ( -7.160 0.000 -5.618) 9.101 4.334 ( 12.620 0.000 -7.595) 14.730 4.406 ( 6.161 0.000 -13.482) 14.823 4.580 ( 7.610 0.000 3.162) 8.241 4.639 ( 2.154 0.000 14.264) 14.426 4.718 ( 3.099 0.000 1.450) 3.422 5.062 ( -9.004 0.000 2.864) 9.448 5.189 ( 0.509 0.000 2.532) 2.583 5.332 ( -2.029 0.000 -2.276) 3.049 5.463 ( -5.418 0.000 3.418) 6.406 5.545 ( 4.285 0.000 -10.584) 11.418 5.986 ( -10.116 0.000 1.748) 10.266 6.256 ( -6.712 0.000 1.891) 6.973 6.508 ( -8.282 0.000 -20.084) 21.725 6.638 ( -8.629 0.000 -14.488) 16.863 7.434 ( 3.174 0.000 -4.169) 5.240 7.657 ( 10.069 0.000 -10.511) 14.556 7.800 ( -8.274 0.000 1.039) 8.339 8.010 ( -7.324 0.000 -4.273) 8.479 8.107 ( -3.604 0.000 7.342) 8.179 8.255 ( 1.598 0.000 2.630) 3.077 8.525 ( -10.216 0.000 6.718) 12.227 8.584 ( -9.139 0.000 5.019) 10.426 8.676 ( 7.963 0.000 8.528) 11.668 8.696 ( 1.423 0.000 3.566) 3.839 8.890 ( -1.827 0.000 0.472) 1.886 9.033 ( -3.115 0.000 -3.910) 4.999 9.188 ( -6.512 0.000 -2.681) 7.043 9.295 ( 15.045 0.000 7.519) 16.819 9.562 ( 10.768 0.000 1.204) 10.835 9.644 ( 7.474 0.000 -1.448) 7.613 9.742 ( -24.250 0.000 14.749) 28.383 10.196 ( -10.531 0.000 7.093) 12.697 10.207 ( 4.612 0.000 7.326) 8.657 10.429 ( -6.102 0.000 -0.257) 6.107 10.451 ( -6.377 0.000 -0.668) 6.412 10.551 ( 8.235 0.000 1.193) 8.321 10.675 ( 8.087 0.000 -10.926) 13.593 10.794 ( 3.509 0.000 6.227) 7.147 10.827 ( 3.536 0.000 -2.999) 4.636 10.881 ( 0.963 0.000 3.241) 3.381 11.013 ( 12.609 0.000 2.366) 12.829 11.406 ( -0.032 0.000 -7.066) 7.066 11.585 ( 0.173 0.000 -6.409) 6.411 11.599 ( -0.145 0.000 -7.220) 7.221 11.627 ( 14.647 0.000 -18.199) 23.361 11.791 ( 12.299 0.000 -11.687) 16.966 11.887 ( 0.356 0.000 5.189) 5.201 11.913 ( -0.215 0.000 4.835) 4.839 12.142 ( 0.286 0.000 -0.859) 0.905 12.169 ( -0.293 0.000 -1.348) 1.380 12.180 ( -3.850 0.000 18.087) 18.492 12.581 ( -5.189 0.000 6.256) 8.128 12.875 ( -2.016 0.000 6.582) 6.884 13.215 ( -0.620 0.000 1.426) 1.555 13.351 ( -5.865 0.000 -11.131) 12.582 13.488 ( -0.987 0.000 -6.195) 6.273 14.251 ( 4.679 0.000 3.089) 5.607 14.271 ( 2.601 0.000 2.523) 3.624 15.853 ( -2.608 0.000 -2.079) 3.335 15.951 ( 1.638 0.000 -3.716) 4.061 16.224 ( -10.122 0.000 7.890) 12.834 16.465 ( -16.010 0.000 -0.223) 16.011 17.558 ( 11.395 0.000 -0.856) 11.427 17.676 ( 15.290 0.000 -1.175) 15.335 17.959 ( 1.245 0.000 9.213) 9.296 18.391 ( 0.195 0.000 -5.403) 5.407 18.582 ( -4.377 0.000 -1.350) 4.581 18.650 ( -0.510 0.000 -2.193) 2.251 19.046 ( -4.532 0.000 6.875) 8.234 19.189 ( -17.876 0.000 4.452) 18.422 ======================= Grid point 87 (30/81) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 31.059 0.000 17.576) 35.687 1.893 ( 32.021 0.000 17.051) 36.278 2.497 ( -27.366 0.000 9.999) 29.135 2.548 ( -28.692 0.000 8.208) 29.843 2.736 ( 11.317 0.000 -13.729) 17.792 2.883 ( 11.402 0.000 -20.376) 23.350 2.957 ( -8.988 0.000 -5.677) 10.631 3.097 ( 2.340 0.000 -2.139) 3.170 3.321 ( 36.506 0.000 17.001) 40.271 3.595 ( -0.199 0.000 -0.066) 0.210 3.599 ( -0.878 0.000 -0.089) 0.883 4.032 ( 1.822 0.000 -2.691) 3.250 4.093 ( -4.239 0.000 -4.173) 5.948 4.201 ( -13.695 0.000 15.326) 20.554 4.250 ( -2.814 0.000 12.556) 12.868 4.433 ( -1.978 0.000 10.066) 10.259 4.711 ( 4.644 0.000 3.638) 5.899 4.756 ( 6.407 0.000 3.422) 7.264 4.759 ( 0.103 0.000 3.272) 3.274 4.870 ( -7.482 0.000 7.354) 10.491 5.216 ( 2.230 0.000 0.115) 2.233 5.276 ( -3.137 0.000 -1.624) 3.532 5.442 ( 5.232 0.000 -3.905) 6.528 5.571 ( -3.937 0.000 -4.814) 6.219 5.945 ( 8.346 0.000 -21.063) 22.656 6.072 ( -3.698 0.000 -9.770) 10.446 6.298 ( -9.901 0.000 -19.809) 22.146 6.444 ( -13.806 0.000 -26.365) 29.761 7.521 ( 7.154 0.000 5.515) 9.033 7.641 ( -3.989 0.000 2.518) 4.717 7.769 ( 0.999 0.000 -4.120) 4.239 7.883 ( -6.651 0.000 -5.284) 8.495 8.093 ( 3.783 0.000 4.761) 6.081 8.256 ( -11.262 0.000 2.655) 11.571 8.338 ( 4.457 0.000 -4.257) 6.164 8.449 ( -5.341 0.000 -5.771) 7.863 8.742 ( 3.033 0.000 3.592) 4.701 8.820 ( -4.223 0.000 3.407) 5.426 8.909 ( 13.831 0.000 20.807) 24.984 9.017 ( 1.448 0.000 -5.826) 6.003 9.077 ( -4.147 0.000 -4.484) 6.108 9.250 ( -18.875 0.000 23.746) 30.334 9.648 ( 14.679 0.000 7.814) 16.629 9.762 ( 7.135 0.000 1.090) 7.218 9.789 ( 4.656 0.000 0.337) 4.668 9.939 ( -13.055 0.000 11.331) 17.286 10.302 ( -4.376 0.000 -0.424) 4.396 10.315 ( -5.315 0.000 -0.657) 5.355 10.369 ( 9.185 0.000 3.428) 9.804 10.550 ( -6.857 0.000 2.003) 7.143 10.801 ( 6.150 0.000 -7.792) 9.927 10.858 ( 2.385 0.000 4.889) 5.440 10.888 ( -0.466 0.000 3.904) 3.932 10.891 ( -0.826 0.000 -5.495) 5.557 11.285 ( 11.281 0.000 1.676) 11.405 11.401 ( -0.337 0.000 -5.674) 5.684 11.590 ( 0.248 0.000 -6.711) 6.715 11.595 ( -0.232 0.000 -7.019) 7.023 11.896 ( 0.510 0.000 5.136) 5.162 11.898 ( 5.953 0.000 -1.166) 6.066 11.906 ( -0.424 0.000 5.006) 5.024 11.977 ( 1.749 0.000 -7.305) 7.511 12.150 ( 0.470 0.000 -1.064) 1.164 12.160 ( -0.473 0.000 -1.246) 1.333 12.224 ( 10.521 0.000 2.564) 10.829 12.420 ( -7.421 0.000 -0.663) 7.450 12.882 ( 2.883 0.000 2.295) 3.685 13.046 ( -12.087 0.000 -1.569) 12.189 13.362 ( 4.347 0.000 -7.610) 8.764 13.446 ( -3.198 0.000 -6.122) 6.907 14.325 ( 2.754 0.000 4.909) 5.628 14.341 ( 2.043 0.000 4.421) 4.870 15.825 ( 1.263 0.000 0.672) 1.431 15.935 ( -7.249 0.000 -0.007) 7.249 16.059 ( 1.203 0.000 0.997) 1.562 16.189 ( -9.889 0.000 -1.874) 10.065 17.768 ( 7.677 0.000 1.504) 7.823 17.863 ( -0.555 0.000 0.317) 0.639 18.082 ( 12.862 0.000 11.107) 16.994 18.332 ( -8.703 0.000 10.901) 13.949 18.550 ( 3.424 0.000 -3.560) 4.940 18.639 ( -2.516 0.000 0.253) 2.529 18.895 ( -2.331 0.000 -5.528) 6.000 18.983 ( -7.125 0.000 -6.595) 9.709 ======================= Grid point 90 (31/81) ======================= q-point: ( 0.00 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 25.654 30.807) 40.090 1.333 ( 0.000 28.209 32.585) 43.099 2.218 ( 0.000 52.330 43.790) 68.235 2.691 ( 0.000 21.860 -22.024) 31.031 2.699 ( 0.000 7.421 -26.057) 27.093 3.248 ( 0.000 9.073 2.531) 9.419 3.310 ( 0.000 8.289 1.381) 8.403 3.358 ( 0.000 14.282 -1.142) 14.328 3.568 ( 0.000 0.101 5.219) 5.220 3.846 ( 0.000 21.725 -1.480) 21.775 3.898 ( 0.000 8.421 -5.197) 9.895 3.939 ( 0.000 18.957 1.697) 19.033 3.977 ( 0.000 3.543 -3.099) 4.707 4.150 ( 0.000 11.384 -3.515) 11.914 4.582 ( 0.000 11.994 1.512) 12.089 4.607 ( 0.000 24.976 -11.655) 27.562 4.619 ( 0.000 20.372 -1.369) 20.418 4.743 ( 0.000 18.947 13.001) 22.979 4.912 ( 0.000 18.584 -0.473) 18.590 5.145 ( 0.000 8.244 2.139) 8.517 5.515 ( 0.000 15.993 1.427) 16.056 5.561 ( 0.000 13.973 -5.113) 14.879 5.602 ( 0.000 13.790 4.221) 14.421 5.667 ( 0.000 24.656 -6.906) 25.605 6.068 ( 0.000 -7.326 4.391) 8.541 6.202 ( 0.000 4.399 -0.809) 4.473 6.540 ( 0.000 3.736 -0.937) 3.851 6.856 ( 0.000 0.508 -9.467) 9.481 7.376 ( 0.000 1.368 -6.195) 6.344 7.442 ( 0.000 1.842 -6.537) 6.791 7.969 ( 0.000 -0.360 6.746) 6.756 8.058 ( 0.000 0.523 -2.697) 2.747 8.063 ( 0.000 -0.984 1.839) 2.086 8.317 ( 0.000 -2.017 20.160) 20.260 8.448 ( 0.000 -7.148 -8.848) 11.374 8.527 ( 0.000 -7.333 6.761) 9.974 8.634 ( 0.000 -3.772 -4.752) 6.067 8.889 ( 0.000 -4.772 4.457) 6.530 9.171 ( 0.000 14.209 1.477) 14.285 9.280 ( 0.000 15.837 -4.067) 16.351 9.345 ( 0.000 16.755 -11.880) 20.540 9.486 ( 0.000 11.773 -8.867) 14.738 9.577 ( 0.000 17.272 7.258) 18.735 9.737 ( 0.000 20.035 -4.445) 20.522 10.117 ( 0.000 -3.452 3.183) 4.696 10.242 ( 0.000 2.843 -4.033) 4.934 10.258 ( 0.000 1.845 10.424) 10.586 10.393 ( 0.000 4.209 4.032) 5.828 10.458 ( 0.000 2.100 -1.020) 2.335 10.559 ( 0.000 0.560 2.763) 2.820 10.614 ( 0.000 -1.504 -0.428) 1.564 10.807 ( 0.000 0.948 -0.886) 1.297 10.854 ( 0.000 1.934 1.002) 2.178 10.911 ( 0.000 13.865 0.702) 13.883 11.000 ( 0.000 11.691 -0.615) 11.708 11.373 ( 0.000 3.498 -5.753) 6.733 11.504 ( 0.000 -2.790 -20.186) 20.378 11.589 ( 0.000 -1.179 -6.304) 6.414 11.592 ( 0.000 3.612 -9.519) 10.181 11.754 ( 0.000 8.251 -13.031) 15.423 11.864 ( 0.000 -5.645 4.110) 6.983 11.866 ( 0.000 -2.516 -0.374) 2.544 12.097 ( 0.000 -2.120 7.916) 8.195 12.188 ( 0.000 2.221 -0.810) 2.364 12.324 ( 0.000 6.065 12.320) 13.732 12.619 ( 0.000 1.403 8.114) 8.234 12.914 ( 0.000 -0.841 8.790) 8.830 13.215 ( 0.000 -0.210 -4.302) 4.307 13.437 ( 0.000 -0.638 -2.203) 2.294 13.454 ( 0.000 -3.980 -9.477) 10.279 14.221 ( 0.000 -2.015 0.748) 2.150 14.223 ( 0.000 2.889 0.994) 3.055 15.811 ( 0.000 -7.755 -3.656) 8.574 15.870 ( 0.000 -6.315 -3.192) 7.076 16.268 ( 0.000 -7.882 10.770) 13.346 16.588 ( 0.000 -11.353 1.986) 11.525 17.360 ( 0.000 -4.798 -4.443) 6.539 17.420 ( 0.000 -3.205 -4.477) 5.506 17.876 ( 0.000 -6.806 9.729) 11.873 18.330 ( 0.000 -6.652 -10.444) 12.382 18.551 ( 0.000 -7.402 -3.111) 8.030 18.602 ( 0.000 -7.543 -1.319) 7.658 18.973 ( 0.000 -9.767 10.529) 14.362 19.258 ( 0.000 -18.122 4.253) 18.614 ======================= Grid point 91 (32/81) ======================= q-point: ( 0.20 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 21.261 20.432 23.206) 37.524 1.624 ( 24.417 26.112 24.696) 43.450 2.553 ( 28.000 36.174 29.143) 54.239 2.750 ( 6.540 10.324 -14.503) 18.966 2.771 ( 7.327 21.277 -19.654) 29.878 3.168 ( -14.959 13.797 2.146) 20.463 3.240 ( -4.780 11.825 1.356) 12.827 3.263 ( -14.414 9.900 0.665) 17.499 3.353 ( -7.444 3.832 -3.981) 9.271 3.818 ( -2.052 19.032 -1.796) 19.226 3.909 ( 1.834 21.304 0.644) 21.393 3.928 ( 7.993 8.301 5.660) 12.839 4.102 ( 4.471 7.381 0.008) 8.630 4.378 ( 12.446 6.346 -5.326) 14.951 4.455 ( -4.771 19.554 -3.727) 20.470 4.584 ( -2.803 20.103 -5.746) 21.095 4.712 ( 4.405 9.902 10.304) 14.954 4.830 ( 6.975 22.658 4.076) 24.055 4.937 ( 0.407 13.949 1.789) 14.069 5.114 ( -1.704 15.049 3.742) 15.601 5.471 ( -3.179 11.013 2.717) 11.781 5.528 ( -2.822 20.067 2.231) 20.387 5.590 ( -0.014 19.100 -3.124) 19.354 5.677 ( 0.443 18.898 -10.682) 21.713 5.973 ( -5.099 1.115 0.760) 5.275 6.291 ( -1.825 2.829 -0.916) 3.489 6.413 ( -13.149 -2.497 -12.901) 18.589 6.663 ( -6.304 3.562 -10.589) 12.828 7.384 ( 2.730 0.038 -2.563) 3.745 7.633 ( 8.576 -1.788 -9.150) 12.668 7.798 ( -8.891 -0.048 0.505) 8.905 7.999 ( -7.762 -0.912 -4.404) 8.971 8.092 ( -4.375 -0.919 7.715) 8.916 8.232 ( 2.700 -1.807 1.351) 3.519 8.428 ( -8.312 -6.830 4.015) 11.483 8.532 ( -4.277 -2.847 1.273) 5.293 8.623 ( 7.542 -4.511 7.142) 11.324 8.932 ( 2.934 0.660 3.982) 4.990 9.093 ( -4.625 16.105 -1.557) 16.828 9.254 ( -2.079 17.711 -4.262) 18.335 9.349 ( -3.881 18.064 -5.021) 19.146 9.497 ( 6.532 14.151 -4.631) 16.259 9.678 ( 2.529 8.852 5.527) 10.738 9.711 ( -7.600 6.063 7.237) 12.120 9.785 ( -7.233 8.681 5.890) 12.742 10.242 ( 5.366 3.992 4.039) 7.813 10.264 ( -10.018 6.814 3.174) 12.525 10.435 ( -4.424 0.545 -0.458) 4.481 10.505 ( -2.830 3.275 1.436) 4.560 10.555 ( 7.488 0.786 0.932) 7.586 10.674 ( 3.561 -0.320 -3.252) 4.833 10.816 ( 2.603 1.108 -0.384) 2.855 10.902 ( 4.176 7.371 0.238) 8.475 10.982 ( -0.312 8.655 -0.151) 8.662 11.059 ( 11.259 7.032 2.789) 13.564 11.372 ( -1.305 -2.977 -5.595) 6.471 11.543 ( 4.681 -2.998 -7.625) 9.437 11.593 ( 0.174 -0.686 -7.206) 7.241 11.678 ( 9.073 4.659 -14.032) 17.347 11.842 ( 4.427 1.133 -4.324) 6.291 11.871 ( 0.244 -4.361 3.537) 5.621 11.884 ( 4.016 1.414 -6.396) 7.684 12.121 ( 2.086 -0.537 5.862) 6.245 12.185 ( -0.177 2.157 -1.154) 2.453 12.265 ( -3.827 6.890 12.877) 15.098 12.598 ( -4.514 1.568 7.914) 9.244 12.866 ( -2.023 -0.877 6.239) 6.618 13.204 ( -1.962 -1.190 1.178) 2.580 13.332 ( -5.662 -2.106 -11.899) 13.345 13.474 ( -0.572 -1.571 -5.695) 5.935 14.245 ( 2.427 -1.948 2.682) 4.109 14.272 ( 3.701 1.358 2.259) 4.544 15.775 ( -2.768 -7.927 -1.759) 8.578 15.886 ( 1.221 -6.675 -3.781) 7.768 16.140 ( -10.585 -8.609 7.682) 15.658 16.379 ( -14.581 -8.687 -0.430) 16.978 17.500 ( 10.726 -5.762 -1.177) 12.232 17.624 ( 14.257 -5.076 -2.312) 15.309 17.898 ( 2.421 -5.817 9.765) 11.622 18.319 ( -0.202 -7.074 -4.980) 8.654 18.532 ( -4.093 -5.741 -2.681) 7.544 18.566 ( -0.070 -8.113 -3.009) 8.654 18.943 ( -4.662 -9.843 6.511) 12.689 19.048 ( -13.512 -11.858 4.742) 18.592 ======================= Grid point 92 (33/81) ======================= q-point: ( 0.40 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 28.718 12.751 14.078) 34.431 2.188 ( 27.803 24.641 14.975) 40.055 2.616 ( -25.445 7.388 5.690) 27.100 2.730 ( -21.451 18.880 6.249) 29.251 2.950 ( 5.517 16.093 -12.488) 21.104 2.970 ( 7.688 12.841 -16.777) 22.482 3.128 ( -4.685 13.183 -7.261) 15.763 3.210 ( -7.766 12.720 -9.209) 17.519 3.415 ( 32.136 12.475 17.989) 38.883 3.760 ( -4.528 14.031 -0.002) 14.744 3.945 ( 7.403 32.026 4.937) 33.239 4.160 ( 6.543 6.838 -1.115) 9.529 4.237 ( 6.372 5.831 7.359) 11.347 4.344 ( 1.027 21.073 0.192) 21.099 4.393 ( -19.491 18.033 12.436) 29.322 4.506 ( -5.721 11.025 9.778) 15.808 4.783 ( 3.592 6.657 5.925) 9.609 4.867 ( -5.186 6.604 7.085) 10.986 4.992 ( 7.018 23.956 2.514) 25.089 5.088 ( -2.332 25.505 4.284) 25.967 5.461 ( 4.369 5.150 -2.136) 7.083 5.507 ( 0.433 26.096 -0.036) 26.100 5.559 ( -2.073 22.236 -1.850) 22.409 5.607 ( -5.605 6.050 -2.604) 8.649 6.023 ( 8.003 9.451 -19.807) 23.360 6.091 ( -4.482 2.939 -7.909) 9.554 6.265 ( -4.002 -1.598 -18.757) 19.246 6.482 ( -14.674 5.752 -27.841) 31.992 7.501 ( 8.434 -0.684 4.673) 9.666 7.635 ( -4.327 -0.224 2.044) 4.791 7.719 ( 1.139 -3.702 -3.346) 5.118 7.844 ( -7.617 -2.685 -4.451) 9.221 8.076 ( 2.813 -0.573 4.682) 5.492 8.209 ( -9.946 -3.585 3.663) 11.189 8.312 ( 4.373 -1.732 -4.768) 6.697 8.416 ( -5.361 -2.475 -5.015) 7.747 8.859 ( 13.260 -3.032 17.763) 22.373 8.974 ( 0.923 8.763 2.698) 9.216 9.030 ( -0.997 14.858 -0.094) 14.892 9.196 ( -9.631 7.160 3.717) 12.563 9.249 ( -2.255 17.431 -0.616) 17.587 9.314 ( -10.410 14.940 9.678) 20.621 9.719 ( 12.874 8.122 1.263) 15.274 9.847 ( 5.757 7.770 1.621) 9.805 9.872 ( 4.638 7.684 2.519) 9.322 10.005 ( -12.860 7.324 6.511) 16.168 10.324 ( -4.034 1.279 0.656) 4.283 10.326 ( -2.095 2.471 -0.776) 3.331 10.449 ( 4.131 6.524 4.167) 8.774 10.576 ( -5.122 2.733 2.895) 6.488 10.784 ( 6.535 -0.892 -6.246) 9.084 10.870 ( 0.013 0.641 -0.552) 0.846 10.958 ( 0.908 7.058 -0.255) 7.121 10.972 ( -0.929 7.835 0.504) 7.906 11.303 ( 9.440 2.580 4.089) 10.607 11.374 ( 1.381 -1.840 -1.820) 2.934 11.596 ( 0.514 -0.119 -6.834) 6.854 11.604 ( 0.691 0.610 -7.364) 7.421 11.848 ( 1.398 -2.417 1.562) 3.200 11.866 ( -0.685 -3.367 4.886) 5.974 11.902 ( 4.965 -2.171 -4.784) 7.229 11.963 ( -0.466 -0.741 -6.014) 6.078 12.190 ( 1.867 2.836 -1.506) 3.714 12.199 ( 0.928 3.734 -1.083) 3.997 12.260 ( 7.437 4.071 7.440) 11.280 12.445 ( -7.988 2.323 2.317) 8.636 12.878 ( 3.194 -0.425 2.112) 3.853 13.035 ( -11.223 -1.103 -1.071) 11.328 13.338 ( 4.245 -2.536 -7.985) 9.392 13.429 ( -3.673 -1.843 -6.464) 7.660 14.307 ( 3.093 -1.699 4.609) 5.805 14.335 ( 1.182 -0.475 3.867) 4.072 15.742 ( 1.047 -8.300 0.626) 8.389 15.847 ( -7.525 -8.802 0.106) 11.581 15.994 ( 1.734 -6.475 0.769) 6.748 16.121 ( -9.486 -6.833 -1.970) 11.856 17.700 ( 7.339 -6.802 1.146) 10.072 17.788 ( -0.344 -7.485 0.185) 7.495 18.059 ( 13.267 -2.219 10.036) 16.783 18.290 ( -6.171 -4.612 8.783) 11.683 18.468 ( 1.451 -8.017 -2.608) 8.554 18.562 ( -3.500 -7.126 0.072) 7.940 18.783 ( -2.191 -10.690 -5.168) 12.075 18.875 ( -6.855 -10.430 -5.552) 13.660 ======================= Grid point 95 (34/81) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 32.451 18.529) 37.369 1.928 ( 0.000 31.215 21.144) 37.702 2.901 ( 0.000 13.295 -21.154) 24.985 3.125 ( 0.000 18.644 -23.585) 30.064 3.299 ( 0.000 49.115 19.609) 52.885 3.351 ( 0.000 7.299 0.608) 7.324 3.583 ( 0.000 3.818 0.037) 3.818 3.710 ( 0.000 17.792 0.394) 17.797 3.712 ( 0.000 26.177 3.213) 26.374 3.964 ( 0.000 6.412 -2.119) 6.754 4.048 ( 0.000 5.389 -2.600) 5.983 4.154 ( 0.000 9.235 -9.963) 13.585 4.547 ( 0.000 18.937 9.852) 21.347 4.673 ( 0.000 48.462 6.302) 48.871 4.924 ( 0.000 29.887 7.728) 30.870 5.061 ( 0.000 20.917 8.945) 22.750 5.104 ( 0.000 13.021 -6.016) 14.344 5.263 ( 0.000 29.924 -5.481) 30.421 5.308 ( 0.000 32.549 4.925) 32.919 5.437 ( 0.000 9.441 0.261) 9.444 5.799 ( 0.000 20.164 10.453) 22.712 5.972 ( 0.000 29.107 -14.867) 32.685 6.094 ( 0.000 19.301 -4.157) 19.744 6.208 ( 0.000 30.548 1.973) 30.612 6.299 ( 0.000 11.360 -7.891) 13.832 6.368 ( 0.000 35.343 -3.252) 35.493 6.760 ( 0.000 22.742 1.067) 22.767 6.914 ( 0.000 7.659 -2.582) 8.082 7.472 ( 0.000 8.701 -8.033) 11.841 7.526 ( 0.000 7.506 -6.635) 10.018 7.955 ( 0.000 -1.405 3.345) 3.628 8.058 ( 0.000 0.850 3.895) 3.987 8.078 ( 0.000 1.544 -0.543) 1.636 8.283 ( 0.000 -8.829 -6.000) 10.674 8.306 ( 0.000 2.267 17.001) 17.151 8.400 ( 0.000 -5.452 3.070) 6.257 8.558 ( 0.000 -3.174 -4.571) 5.565 8.810 ( 0.000 -2.569 2.603) 3.657 9.404 ( 0.000 6.667 -3.580) 7.568 9.534 ( 0.000 3.309 -7.804) 8.477 9.570 ( 0.000 11.447 -4.157) 12.179 9.640 ( 0.000 5.999 -5.360) 8.045 9.925 ( 0.000 15.759 7.745) 17.560 10.013 ( 0.000 -6.380 10.860) 12.596 10.146 ( 0.000 18.617 -4.430) 19.137 10.335 ( 0.000 6.217 -3.945) 7.363 10.380 ( 0.000 10.533 4.844) 11.594 10.511 ( 0.000 -0.097 0.530) 0.539 10.516 ( 0.000 -3.330 5.127) 6.114 10.579 ( 0.000 1.799 -0.391) 1.841 10.580 ( 0.000 12.498 2.170) 12.686 10.845 ( 0.000 3.193 0.037) 3.194 10.933 ( 0.000 6.044 0.123) 6.045 11.078 ( 0.000 3.032 0.139) 3.035 11.200 ( 0.000 7.696 -2.306) 8.034 11.426 ( 0.000 -4.277 -12.297) 13.019 11.542 ( 0.000 3.150 -8.239) 8.821 11.594 ( 0.000 12.584 3.804) 13.146 11.686 ( 0.000 -0.827 -3.598) 3.692 11.691 ( 0.000 -11.308 3.680) 11.892 11.801 ( 0.000 1.909 -11.669) 11.824 11.924 ( 0.000 9.260 -10.679) 14.134 12.094 ( 0.000 2.298 11.525) 11.752 12.269 ( 0.000 5.642 0.252) 5.647 12.461 ( 0.000 7.612 7.714) 10.837 12.652 ( 0.000 2.277 10.939) 11.173 12.883 ( 0.000 -2.053 8.138) 8.393 13.200 ( 0.000 -1.195 -3.185) 3.401 13.342 ( 0.000 -7.093 -7.117) 10.048 13.415 ( 0.000 -1.683 -4.360) 4.673 14.150 ( 0.000 -5.216 2.271) 5.689 14.289 ( 0.000 2.979 -2.675) 4.003 15.591 ( 0.000 -14.311 -2.317) 14.497 15.685 ( 0.000 -12.210 -3.320) 12.653 16.016 ( 0.000 -17.227 8.337) 19.138 16.262 ( 0.000 -21.375 1.728) 21.444 17.236 ( 0.000 -7.511 -4.485) 8.749 17.330 ( 0.000 -5.665 -5.741) 8.066 17.695 ( 0.000 -10.926 10.710) 15.300 18.139 ( 0.000 -12.218 -8.787) 15.050 18.347 ( 0.000 -12.832 -3.402) 13.275 18.369 ( 0.000 -15.880 -1.170) 15.923 18.727 ( 0.000 -14.300 9.477) 17.155 18.952 ( 0.000 -13.284 2.216) 13.468 ======================= Grid point 96 (35/81) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 13.962 28.484 14.197) 34.754 2.147 ( 20.224 26.785 19.969) 39.054 2.917 ( 1.617 12.682 -19.967) 23.709 3.212 ( 4.385 19.973 -18.016) 27.253 3.307 ( -6.561 8.053 -2.949) 10.798 3.373 ( -3.446 10.337 0.629) 10.914 3.492 ( 7.526 36.296 9.025) 38.151 3.617 ( -9.753 21.451 5.927) 24.298 3.700 ( -1.502 26.060 1.892) 26.171 4.002 ( 9.010 6.963 4.420) 12.214 4.121 ( 0.134 11.032 -5.807) 12.467 4.229 ( 5.481 3.323 1.536) 6.592 4.549 ( 2.509 23.538 1.035) 23.693 4.743 ( 4.201 38.707 2.551) 39.018 4.912 ( 0.671 27.129 5.063) 27.605 4.997 ( -6.272 17.228 3.036) 18.584 5.124 ( -0.569 28.735 3.123) 28.910 5.200 ( -0.636 20.424 3.932) 20.809 5.375 ( 3.900 24.624 1.448) 24.973 5.477 ( 4.082 16.418 1.303) 16.968 5.760 ( -2.660 17.813 8.874) 20.078 5.981 ( -4.449 29.988 -4.888) 30.708 6.066 ( -0.701 22.665 -5.274) 23.281 6.203 ( 1.210 31.983 -3.554) 32.203 6.324 ( -0.928 4.723 -10.349) 11.414 6.371 ( 1.424 39.665 -7.729) 40.436 6.596 ( -17.147 20.831 -1.279) 27.011 6.838 ( -0.396 17.172 -5.910) 18.165 7.470 ( 0.546 8.644 -5.468) 10.243 7.613 ( 3.500 0.447 -6.037) 6.992 7.802 ( -8.558 0.378 -0.504) 8.581 7.981 ( -9.572 -0.482 -4.421) 10.554 8.097 ( -1.784 1.916 7.667) 8.102 8.204 ( 4.080 -0.709 1.168) 4.302 8.313 ( -6.215 -4.000 1.685) 7.581 8.483 ( -5.211 -1.945 -2.688) 6.177 8.525 ( 10.299 -4.062 11.254) 15.786 8.899 ( 7.200 -1.959 3.924) 8.430 9.313 ( -5.400 5.672 -4.455) 9.011 9.462 ( -9.385 -1.615 -2.304) 9.798 9.643 ( -0.070 10.462 -2.984) 10.879 9.689 ( 8.069 10.677 -4.011) 13.971 9.842 ( -9.389 8.806 10.976) 16.917 9.902 ( 1.612 8.471 5.954) 10.479 10.107 ( -3.692 19.777 -2.512) 20.275 10.358 ( 5.315 7.108 3.021) 9.375 10.427 ( -7.966 0.932 0.554) 8.040 10.458 ( -0.492 6.835 -3.049) 7.500 10.559 ( -1.038 3.787 2.761) 4.800 10.610 ( 7.765 6.490 -3.122) 10.590 10.663 ( 2.988 -0.017 2.525) 3.912 10.851 ( 1.700 2.859 -0.189) 3.332 11.025 ( 7.183 4.770 -0.561) 8.641 11.123 ( 2.079 4.933 -2.972) 6.123 11.261 ( 6.691 6.124 1.053) 9.131 11.355 ( -1.660 1.206 -2.484) 3.221 11.557 ( -0.311 10.162 1.344) 10.255 11.573 ( 1.099 -0.988 -7.432) 7.577 11.723 ( 3.069 -7.494 -1.518) 8.239 11.752 ( 2.599 -6.484 -1.186) 7.085 11.829 ( 2.299 6.235 -8.444) 10.745 11.980 ( 3.251 6.843 -8.760) 11.581 12.132 ( 4.002 1.820 7.419) 8.624 12.259 ( -0.582 5.040 -0.541) 5.102 12.423 ( -2.824 8.556 9.773) 13.292 12.637 ( -3.345 2.259 12.447) 13.085 12.845 ( -1.459 -1.007 4.551) 4.884 13.168 ( -3.814 -2.251 0.455) 4.451 13.259 ( -4.990 -5.315 -10.533) 12.810 13.425 ( -0.642 -3.289 -5.716) 6.626 14.180 ( 2.960 -4.474 3.024) 6.158 14.311 ( 1.696 1.935 -1.166) 2.825 15.550 ( -3.187 -14.596 -1.048) 14.976 15.691 ( -0.148 -12.974 -4.253) 13.654 15.890 ( -9.391 -16.353 7.311) 20.225 16.126 ( -10.375 -16.914 -0.731) 19.857 17.342 ( 8.680 -9.851 -1.578) 13.224 17.480 ( 9.631 -9.644 -4.161) 14.250 17.756 ( 7.035 -7.752 9.994) 14.472 18.126 ( -0.579 -12.064 -4.092) 12.752 18.318 ( -4.139 -15.287 -0.114) 15.838 18.365 ( 1.747 -12.637 -6.407) 14.275 18.694 ( -3.721 -14.611 5.849) 16.173 18.809 ( -11.954 -11.429 2.652) 16.750 ======================= Grid point 97 (36/81) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 20.939 20.347 8.670) 30.457 2.650 ( 21.389 20.532 13.333) 32.508 2.828 ( -13.717 13.480 1.524) 19.292 3.051 ( -2.641 13.951 -8.578) 16.588 3.261 ( -5.536 9.184 -13.399) 17.162 3.284 ( -15.965 19.485 0.967) 25.209 3.455 ( 9.122 21.847 -10.536) 25.914 3.619 ( -5.652 25.117 -3.843) 26.030 3.816 ( 15.071 25.140 10.366) 31.090 4.049 ( -6.942 14.774 1.795) 16.422 4.243 ( 10.049 5.044 5.798) 12.651 4.317 ( 2.553 4.733 3.783) 6.575 4.616 ( 3.816 22.646 0.712) 22.976 4.750 ( -6.890 14.685 2.656) 16.437 4.923 ( 2.953 23.443 0.279) 23.630 4.970 ( 3.059 43.469 5.206) 43.887 5.074 ( -0.023 21.965 6.200) 22.823 5.199 ( -3.866 33.474 11.934) 35.747 5.509 ( 8.613 14.213 -0.144) 16.620 5.582 ( 5.588 22.510 3.848) 23.510 5.684 ( -5.557 9.618 3.985) 11.801 5.738 ( -12.865 29.024 4.475) 32.061 6.100 ( 2.881 24.881 -7.274) 26.082 6.182 ( -4.812 20.644 -7.233) 22.398 6.273 ( -1.649 27.770 -3.833) 28.081 6.318 ( -6.869 27.341 -1.871) 28.253 6.489 ( 10.563 30.554 -24.058) 40.297 6.745 ( -10.735 22.560 -22.002) 33.291 7.531 ( 5.854 4.244 0.925) 7.289 7.643 ( -0.626 0.605 -0.609) 1.062 7.663 ( -1.843 -1.025 -1.886) 2.829 7.799 ( -8.481 -1.486 -3.964) 9.478 8.091 ( 0.726 2.545 4.744) 5.433 8.152 ( -5.610 -1.409 3.610) 6.818 8.296 ( 3.386 0.897 -2.258) 4.168 8.376 ( -4.384 -1.028 -3.556) 5.738 8.784 ( 14.371 -3.730 15.639) 21.565 9.026 ( 0.219 -0.345 8.482) 8.492 9.177 ( -8.331 -3.327 2.526) 9.320 9.224 ( -6.636 2.735 -0.942) 7.239 9.637 ( 1.171 16.651 0.254) 16.694 9.699 ( -4.767 16.467 3.597) 17.517 9.886 ( 9.563 7.365 -2.797) 12.390 9.986 ( 2.819 4.819 3.604) 6.645 10.124 ( 3.476 17.319 -2.202) 17.801 10.224 ( -8.083 12.268 -3.402) 15.080 10.338 ( -2.534 1.100 2.272) 3.577 10.407 ( -7.517 4.435 -1.279) 8.822 10.584 ( 4.703 5.875 3.176) 8.168 10.652 ( -1.637 5.398 4.818) 7.419 10.783 ( 7.111 1.116 -5.696) 9.179 10.888 ( -1.465 1.360 -1.970) 2.807 11.118 ( 1.177 6.969 -3.029) 7.690 11.127 ( 0.070 5.220 -3.765) 6.437 11.399 ( 6.263 6.494 7.592) 11.791 11.446 ( 4.716 10.910 6.270) 13.438 11.572 ( 1.584 -2.261 -2.919) 4.017 11.609 ( 0.942 2.038 -5.671) 6.099 11.766 ( 1.362 -6.623 0.558) 6.785 11.780 ( 0.214 -5.480 -1.004) 5.575 11.887 ( 3.459 2.608 -6.246) 7.601 11.980 ( -3.993 3.312 -4.721) 7.014 12.232 ( 5.071 1.416 0.700) 5.311 12.273 ( 1.008 3.419 -2.260) 4.220 12.391 ( 1.201 8.311 10.364) 13.339 12.504 ( -7.765 3.524 9.236) 12.570 12.866 ( 3.447 -0.658 1.481) 3.809 13.006 ( -9.452 -1.602 -0.509) 9.601 13.258 ( 4.305 -5.504 -7.778) 10.456 13.368 ( -4.789 -4.448 -7.018) 9.590 14.263 ( 4.439 -2.670 3.454) 6.226 14.327 ( -0.979 -0.358 1.660) 1.960 15.507 ( 0.435 -15.292 0.351) 15.302 15.598 ( -7.561 -16.196 0.148) 17.875 15.810 ( 2.542 -12.036 0.150) 12.303 15.924 ( -8.024 -13.029 -2.228) 15.463 17.511 ( 6.341 -12.009 0.489) 13.589 17.580 ( 0.063 -13.130 -0.098) 13.130 17.998 ( 12.968 -4.009 7.306) 15.415 18.132 ( -0.137 -11.390 4.498) 12.246 18.246 ( 0.263 -14.171 -0.468) 14.181 18.406 ( -3.373 -8.448 -2.261) 9.373 18.516 ( -6.038 -14.873 -2.429) 16.235 18.609 ( -7.053 -15.532 -2.912) 17.305 ======================= Grid point 100 (37/81) ======================= q-point: ( 0.00 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 0.000 29.920 10.652) 31.760 2.517 ( 0.000 27.668 11.494) 29.960 3.184 ( 0.000 14.727 -11.200) 18.502 3.373 ( 0.000 8.677 -8.606) 12.221 3.551 ( 0.000 10.636 -13.379) 17.092 3.584 ( 0.000 1.388 0.290) 1.418 3.900 ( 0.000 5.459 -2.793) 6.132 4.101 ( 0.000 0.502 -2.148) 2.206 4.210 ( 0.000 32.897 2.614) 33.000 4.239 ( 0.000 24.269 5.451) 24.873 4.261 ( 0.000 24.485 4.388) 24.875 4.408 ( 0.000 17.739 -3.752) 18.131 4.886 ( 0.000 18.824 8.399) 20.612 5.310 ( 0.000 12.283 -5.878) 13.617 5.344 ( 0.000 16.820 5.875) 17.816 5.564 ( 0.000 8.067 2.289) 8.386 5.670 ( 0.000 31.474 4.161) 31.748 5.731 ( 0.000 26.312 -0.072) 26.312 5.785 ( 0.000 14.934 7.439) 16.684 5.815 ( 0.000 44.763 5.624) 45.115 6.155 ( 0.000 23.934 -1.804) 24.002 6.402 ( 0.000 4.559 -3.422) 5.701 6.504 ( 0.000 10.673 -2.624) 10.991 6.686 ( 0.000 41.138 -12.690) 43.051 6.832 ( 0.000 30.887 11.653) 33.012 7.185 ( 0.000 41.452 1.089) 41.466 7.304 ( 0.000 32.568 -1.805) 32.618 7.440 ( 0.000 39.808 -12.372) 41.686 7.705 ( 0.000 12.676 -5.875) 13.972 7.748 ( 0.000 13.691 -6.478) 15.147 7.899 ( 0.000 -4.425 2.464) 5.065 8.093 ( 0.000 -3.799 -1.829) 4.216 8.105 ( 0.000 4.932 4.825) 6.899 8.188 ( 0.000 7.311 -0.174) 7.313 8.336 ( 0.000 -0.576 1.628) 1.727 8.464 ( 0.000 10.944 2.613) 11.251 8.573 ( 0.000 10.531 3.321) 11.043 8.812 ( 0.000 3.695 2.082) 4.241 9.413 ( 0.000 -4.521 -7.933) 9.131 9.457 ( 0.000 -8.765 -7.956) 11.838 9.723 ( 0.000 5.240 -0.122) 5.241 9.798 ( 0.000 9.659 -2.243) 9.916 9.889 ( 0.000 -5.944 11.714) 13.136 10.143 ( 0.000 5.398 6.766) 8.656 10.281 ( 0.000 -5.637 -4.434) 7.172 10.399 ( 0.000 -5.550 6.007) 8.179 10.481 ( 0.000 5.505 -4.301) 6.986 10.538 ( 0.000 4.190 0.911) 4.288 10.629 ( 0.000 11.850 3.014) 12.227 10.674 ( 0.000 6.786 0.531) 6.807 10.829 ( 0.000 9.544 -1.325) 9.636 10.935 ( 0.000 5.857 0.365) 5.868 11.061 ( 0.000 7.323 -3.717) 8.213 11.099 ( 0.000 1.725 -5.018) 5.306 11.347 ( 0.000 -4.128 -5.122) 6.579 11.352 ( 0.000 0.437 5.845) 5.861 11.447 ( 0.000 -5.210 -1.494) 5.420 11.546 ( 0.000 -7.677 -6.933) 10.344 11.586 ( 0.000 5.982 0.416) 5.997 11.916 ( 0.000 12.559 2.994) 12.911 11.947 ( 0.000 8.778 -7.828) 11.761 12.130 ( 0.000 10.701 -5.291) 11.938 12.238 ( 0.000 14.331 9.310) 17.090 12.380 ( 0.000 5.092 5.457) 7.464 12.607 ( 0.000 6.644 6.043) 8.981 12.695 ( 0.000 0.127 15.787) 15.788 12.879 ( 0.000 4.013 1.626) 4.330 13.180 ( 0.000 -0.334 -3.102) 3.120 13.198 ( 0.000 -6.795 -4.160) 7.968 13.374 ( 0.000 -2.232 -5.483) 5.920 14.015 ( 0.000 -8.459 3.088) 9.005 14.302 ( 0.000 -2.588 -7.694) 8.117 15.267 ( 0.000 -17.952 -0.935) 17.976 15.404 ( 0.000 -15.962 -4.395) 16.556 15.619 ( 0.000 -22.306 5.531) 22.982 15.773 ( 0.000 -27.386 1.859) 27.449 17.064 ( 0.000 -10.291 -4.049) 11.059 17.206 ( 0.000 -6.896 -6.865) 9.730 17.478 ( 0.000 -10.380 10.914) 15.062 17.871 ( 0.000 -14.545 -6.050) 15.753 18.004 ( 0.000 -20.337 0.231) 20.338 18.064 ( 0.000 -15.559 -4.597) 16.224 18.440 ( 0.000 -14.431 9.669) 17.371 18.702 ( 0.000 -12.880 -0.813) 12.906 ======================= Grid point 101 (38/81) ======================= q-point: ( 0.20 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 8.242 27.074 8.115) 29.441 2.658 ( 13.771 24.416 12.405) 30.653 3.177 ( -1.036 12.951 -11.231) 17.174 3.439 ( 0.271 6.899 -2.140) 7.228 3.461 ( -6.148 6.703 -5.039) 10.398 3.571 ( 3.900 10.854 -16.722) 20.314 3.898 ( -4.109 9.442 3.063) 10.743 4.104 ( -1.198 4.510 5.669) 7.342 4.223 ( -1.482 24.392 3.473) 24.682 4.274 ( 7.142 27.668 1.690) 28.625 4.350 ( 9.160 17.837 -0.872) 20.071 4.405 ( -0.887 17.850 -1.133) 17.908 4.906 ( 1.677 17.960 4.464) 18.582 5.202 ( -8.348 14.846 -4.233) 17.551 5.327 ( -1.690 17.149 3.601) 17.604 5.546 ( -1.623 11.410 0.425) 11.533 5.623 ( -5.895 16.304 0.248) 17.339 5.688 ( 1.594 21.529 4.805) 22.116 5.836 ( 1.123 19.299 2.129) 19.448 5.901 ( 8.290 46.341 8.852) 47.902 6.109 ( -4.230 21.101 -1.602) 21.581 6.410 ( 1.089 11.341 -1.689) 11.518 6.506 ( 0.936 22.696 -0.849) 22.731 6.753 ( -3.939 33.266 8.953) 34.674 6.874 ( 10.709 32.364 -11.023) 35.827 7.176 ( -1.081 39.441 -0.738) 39.463 7.198 ( -8.803 38.854 -3.432) 39.986 7.420 ( -2.327 37.043 -10.309) 38.521 7.668 ( -4.439 4.888 -2.185) 6.955 7.694 ( -1.918 11.497 -7.339) 13.773 7.798 ( -6.075 -0.520 1.595) 6.302 8.048 ( -6.575 7.876 -7.692) 12.823 8.163 ( 2.344 5.332 5.605) 8.083 8.240 ( 2.791 7.870 1.295) 8.450 8.301 ( 1.070 2.271 1.086) 2.735 8.458 ( -2.240 2.694 -2.925) 4.564 8.580 ( 3.462 11.369 11.404) 16.471 8.896 ( 6.923 2.941 2.194) 7.835 9.305 ( -10.128 -6.927 -3.361) 12.722 9.364 ( -6.724 -4.328 -5.663) 9.798 9.768 ( 3.459 3.150 0.084) 4.679 9.864 ( 4.591 5.465 -1.136) 7.228 9.929 ( 1.432 2.993 4.679) 5.736 10.017 ( -1.734 1.742 6.613) 7.055 10.329 ( -4.332 -4.461 2.685) 6.773 10.459 ( -1.199 7.325 1.973) 7.680 10.486 ( 5.954 5.196 -1.673) 8.078 10.581 ( -3.324 6.334 -1.586) 7.327 10.602 ( 11.341 0.136 -2.321) 11.576 10.670 ( -5.508 2.977 -1.469) 6.431 10.867 ( 0.327 13.347 -1.127) 13.398 10.938 ( 0.660 6.114 -0.384) 6.161 11.102 ( 3.198 3.128 -0.568) 4.509 11.130 ( 6.133 -0.109 -3.468) 7.046 11.314 ( 0.215 -2.616 -1.436) 2.992 11.422 ( 5.554 2.709 4.525) 7.659 11.532 ( 4.209 -5.107 -6.084) 8.990 11.571 ( 2.486 -3.437 -3.019) 5.206 11.621 ( 3.302 2.220 -0.595) 4.022 11.873 ( -0.614 12.749 1.741) 12.882 11.997 ( -0.095 9.373 -4.871) 10.564 12.156 ( 1.060 10.465 -3.917) 11.224 12.221 ( 0.802 8.643 7.940) 11.764 12.359 ( -2.097 4.952 3.571) 6.455 12.582 ( -1.931 7.160 7.222) 10.351 12.661 ( -3.883 -1.023 14.798) 15.333 12.869 ( -0.164 4.973 1.949) 5.344 13.127 ( -3.743 -3.215 -2.789) 5.668 13.142 ( -5.365 -4.342 -4.817) 8.417 13.352 ( -2.419 -3.728 -6.038) 7.498 14.070 ( 5.081 -6.639 2.769) 8.807 14.319 ( 1.111 -1.922 -5.994) 6.392 15.219 ( -3.867 -18.415 -0.437) 18.821 15.379 ( -4.448 -18.702 -3.972) 19.630 15.528 ( -4.071 -19.428 5.138) 20.503 15.729 ( -4.536 -22.764 -1.103) 23.238 17.128 ( 5.611 -11.827 -1.963) 13.237 17.254 ( 3.056 -12.554 -3.055) 13.277 17.613 ( 12.428 -6.868 6.679) 15.692 17.864 ( -0.509 -14.098 -2.708) 14.365 17.969 ( -2.994 -19.493 0.473) 19.728 18.077 ( 1.692 -15.888 -6.026) 17.076 18.399 ( -3.997 -14.872 7.333) 17.057 18.592 ( -10.038 -11.236 -0.210) 15.068 ======================= Grid point 102 (39/81) ======================= q-point: ( 0.40 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 12.917 20.293 4.440) 24.461 2.999 ( 3.883 15.539 7.623) 17.739 3.103 ( 5.396 13.349 -2.126) 14.555 3.323 ( -2.133 12.914 -5.107) 14.050 3.427 ( -1.741 8.844 -9.151) 12.845 3.620 ( -18.351 13.820 7.589) 24.194 3.797 ( 13.782 10.684 -8.094) 19.226 4.043 ( -8.323 11.411 -0.766) 14.145 4.248 ( 4.639 18.440 4.391) 19.515 4.343 ( -3.591 16.701 2.985) 17.341 4.475 ( 8.227 21.108 1.570) 22.708 4.521 ( 4.616 16.059 -0.266) 16.712 4.937 ( 1.528 15.726 0.910) 15.826 5.026 ( -7.495 14.832 -0.769) 16.636 5.315 ( 2.109 17.414 -2.310) 17.693 5.428 ( -7.785 17.294 -4.947) 19.600 5.626 ( 5.308 9.961 2.213) 11.502 5.724 ( -1.099 12.216 3.454) 12.742 5.859 ( 3.301 12.822 -0.607) 13.254 5.985 ( -7.008 13.429 -1.787) 15.252 6.125 ( 12.833 51.746 10.393) 54.317 6.402 ( -11.853 41.354 7.713) 43.705 6.486 ( 6.748 21.983 3.023) 23.193 6.651 ( -6.470 26.337 7.253) 28.074 7.043 ( -1.696 40.623 -4.899) 40.953 7.079 ( 1.663 39.874 -7.278) 40.567 7.170 ( 5.366 32.580 -11.703) 35.032 7.334 ( -6.433 32.247 -11.100) 34.705 7.641 ( 1.944 2.945 -1.698) 3.916 7.665 ( 0.842 6.215 -6.410) 8.968 7.707 ( -2.460 4.701 -0.644) 5.344 7.835 ( -11.163 6.753 -6.845) 14.733 8.207 ( 1.075 10.481 5.216) 11.756 8.228 ( -0.856 13.603 2.611) 13.878 8.377 ( 2.759 7.864 0.272) 8.338 8.420 ( -1.341 7.013 -1.151) 7.232 8.741 ( 11.945 0.254 10.886) 16.163 9.022 ( -10.322 -0.860 8.272) 13.255 9.071 ( 3.795 -4.255 -3.144) 6.511 9.222 ( -7.141 -1.748 -4.267) 8.500 9.825 ( 1.785 2.470 1.517) 3.404 9.858 ( -1.673 2.389 3.982) 4.936 10.046 ( 5.321 7.063 -1.558) 8.980 10.063 ( 3.616 3.787 2.508) 5.806 10.268 ( 0.695 -2.617 1.390) 3.044 10.401 ( -6.636 2.585 -2.499) 7.547 10.498 ( -3.489 10.322 -1.408) 10.986 10.518 ( -3.760 11.481 -2.769) 12.394 10.629 ( 7.776 -0.320 4.078) 8.786 10.785 ( -5.487 4.418 0.905) 7.103 10.839 ( 7.299 5.325 -2.799) 9.458 10.942 ( -1.798 4.783 -2.324) 5.613 11.189 ( 3.731 3.009 -2.079) 5.225 11.225 ( 0.982 4.536 -3.111) 5.587 11.428 ( 9.189 -4.272 -2.539) 10.447 11.530 ( 1.629 -2.444 1.188) 3.168 11.573 ( 2.555 -1.601 -5.237) 6.043 11.624 ( 0.780 -4.728 -0.627) 4.832 11.709 ( 4.906 4.827 1.509) 7.046 11.844 ( -6.591 12.530 4.788) 14.946 11.992 ( 5.451 7.760 -1.694) 9.633 12.124 ( -4.517 11.496 0.224) 12.353 12.271 ( 1.873 3.850 4.134) 5.951 12.312 ( -2.143 0.386 1.149) 2.462 12.548 ( -0.755 6.790 7.844) 10.402 12.570 ( -3.178 2.428 9.545) 10.349 12.872 ( 1.564 1.890 1.280) 2.767 12.982 ( -8.082 -0.629 -0.707) 8.138 13.137 ( 4.727 -5.858 -5.653) 9.413 13.264 ( -5.965 -5.393 -6.016) 10.043 14.203 ( 6.877 -3.502 1.501) 7.862 14.312 ( -2.712 -1.533 -1.907) 3.652 15.159 ( -0.450 -19.576 -0.220) 19.583 15.230 ( -6.880 -20.538 -0.087) 21.660 15.531 ( 2.778 -16.086 -0.938) 16.352 15.617 ( -5.313 -17.858 -2.652) 18.819 17.246 ( 4.550 -14.598 -0.291) 15.294 17.293 ( 0.114 -15.506 -0.391) 15.512 17.858 ( 0.732 -13.593 2.124) 13.777 17.878 ( 1.262 -13.735 3.406) 14.207 17.965 ( 12.940 -10.943 0.087) 16.947 18.153 ( 5.624 -16.172 -4.835) 17.791 18.272 ( -9.321 -13.138 1.954) 16.227 18.326 ( -13.276 -10.486 0.569) 16.927 ======================= Grid point 105 (40/81) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 0.000 21.628 4.401) 22.072 2.991 ( 0.000 20.143 4.549) 20.650 3.450 ( 0.000 11.396 -2.689) 11.709 3.525 ( 0.000 7.026 -1.205) 7.129 3.605 ( 0.000 1.382 -0.133) 1.389 3.713 ( 0.000 5.684 -11.343) 12.687 3.975 ( 0.000 2.942 -2.260) 3.710 4.095 ( 0.000 -0.664 -3.929) 3.985 4.595 ( 0.000 14.852 11.807) 18.974 4.633 ( 0.000 18.885 4.126) 19.330 4.853 ( 0.000 24.017 -6.636) 24.917 4.868 ( 0.000 27.320 -1.363) 27.354 5.305 ( 0.000 22.892 4.921) 23.415 5.558 ( 0.000 12.948 -5.970) 14.258 5.695 ( 0.000 18.732 2.987) 18.968 5.737 ( 0.000 10.941 2.633) 11.253 5.979 ( 0.000 6.924 2.379) 7.321 6.013 ( 0.000 13.836 -1.760) 13.948 6.125 ( 0.000 15.589 2.465) 15.782 6.421 ( 0.000 13.925 -7.908) 16.014 6.487 ( 0.000 3.855 2.354) 4.517 6.606 ( 0.000 4.332 -1.658) 4.638 7.047 ( 0.000 49.013 10.544) 50.134 7.269 ( 0.000 18.415 15.678) 24.185 7.371 ( 0.000 20.641 0.085) 20.641 7.730 ( 0.000 -7.137 3.294) 7.861 7.840 ( 0.000 2.278 -3.068) 3.821 7.900 ( 0.000 4.924 -3.524) 6.055 7.911 ( 0.000 25.909 -1.077) 25.931 7.993 ( 0.000 24.617 -4.535) 25.031 7.999 ( 0.000 16.422 -14.658) 22.012 8.223 ( 0.000 7.597 -8.706) 11.555 8.328 ( 0.000 21.071 6.782) 22.135 8.465 ( 0.000 22.414 -2.394) 22.541 8.589 ( 0.000 29.522 -1.591) 29.565 8.619 ( 0.000 6.694 -2.391) 7.108 8.972 ( 0.000 9.491 0.465) 9.502 9.053 ( 0.000 29.144 1.242) 29.171 9.318 ( 0.000 -0.010 -5.856) 5.856 9.343 ( 0.000 3.471 -3.838) 5.175 9.723 ( 0.000 -6.025 13.508) 14.791 9.894 ( 0.000 9.377 2.708) 9.761 9.945 ( 0.000 -1.275 2.332) 2.658 10.079 ( 0.000 -9.583 4.340) 10.520 10.189 ( 0.000 5.477 -6.577) 8.559 10.396 ( 0.000 4.597 4.671) 6.553 10.432 ( 0.000 -11.710 -2.541) 11.982 10.568 ( 0.000 1.613 -5.955) 6.170 10.795 ( 0.000 4.448 0.101) 4.449 10.804 ( 0.000 4.124 2.884) 5.032 10.932 ( 0.000 2.999 2.901) 4.173 11.005 ( 0.000 -0.126 -2.367) 2.370 11.127 ( 0.000 -10.890 1.811) 11.039 11.228 ( 0.000 5.119 -5.114) 7.236 11.232 ( 0.000 -0.339 -11.890) 11.895 11.295 ( 0.000 13.098 0.028) 13.098 11.478 ( 0.000 0.777 -4.224) 4.295 11.549 ( 0.000 10.235 -1.520) 10.347 11.807 ( 0.000 12.127 9.220) 15.234 12.103 ( 0.000 9.093 0.853) 9.133 12.118 ( 0.000 8.334 -3.938) 9.218 12.280 ( 0.000 3.474 -2.400) 4.223 12.471 ( 0.000 2.700 21.116) 21.288 12.584 ( 0.000 15.363 4.845) 16.109 12.672 ( 0.000 1.396 7.174) 7.309 12.716 ( 0.000 6.606 5.692) 8.720 13.021 ( 0.000 5.717 -3.842) 6.888 13.117 ( 0.000 1.579 1.094) 1.921 13.201 ( 0.000 2.496 -4.198) 4.885 13.345 ( 0.000 -0.103 -5.206) 5.207 13.820 ( 0.000 -11.139 2.952) 11.523 14.157 ( 0.000 -12.591 -10.465) 16.372 14.917 ( 0.000 -16.912 0.136) 16.913 15.075 ( 0.000 -16.992 -5.550) 17.875 15.173 ( 0.000 -22.158 2.069) 22.254 15.226 ( 0.000 -27.091 1.319) 27.123 16.829 ( 0.000 -13.213 -0.502) 13.222 17.058 ( 0.000 -8.332 -7.893) 11.477 17.295 ( 0.000 -8.764 7.382) 11.459 17.576 ( 0.000 -16.712 0.127) 16.713 17.600 ( 0.000 -18.854 -2.211) 18.984 17.748 ( 0.000 -16.345 -6.277) 17.509 18.162 ( 0.000 -14.058 10.251) 17.398 18.426 ( 0.000 -15.461 -0.959) 15.491 ======================= Grid point 106 (41/81) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 4.097 20.022 3.550) 20.743 3.081 ( 8.916 18.024 4.788) 20.670 3.397 ( -4.767 8.989 -3.731) 10.837 3.552 ( 0.063 4.161 -2.364) 4.786 3.592 ( 0.554 7.304 0.130) 7.326 3.731 ( 3.507 5.409 -9.121) 11.169 4.010 ( -0.581 3.118 -1.702) 3.600 4.104 ( 0.290 -1.514 1.989) 2.517 4.573 ( 0.100 14.803 6.756) 16.272 4.685 ( 4.377 18.871 2.840) 19.579 4.816 ( -3.392 22.244 -5.683) 23.207 4.894 ( 2.354 25.921 -1.709) 26.084 5.302 ( -0.392 21.928 4.595) 22.408 5.502 ( -5.183 15.648 -4.729) 17.149 5.670 ( -2.185 17.510 3.022) 17.903 5.747 ( 1.022 11.779 0.454) 11.832 5.890 ( -5.318 10.482 -0.692) 11.775 6.003 ( -2.908 12.234 5.354) 13.667 6.042 ( -3.428 11.593 -5.358) 13.223 6.315 ( -6.785 9.160 -6.295) 13.022 6.612 ( 7.172 10.807 3.961) 13.561 6.771 ( 13.440 7.589 -0.232) 15.436 7.091 ( 3.033 38.985 11.477) 40.753 7.203 ( -5.591 22.901 14.711) 27.787 7.434 ( 5.027 17.168 0.444) 17.894 7.659 ( -4.453 -3.595 0.232) 5.728 7.752 ( -6.469 3.493 0.268) 7.356 7.829 ( -5.868 18.437 -1.283) 19.391 7.914 ( -0.838 17.738 -7.694) 19.353 7.993 ( 0.102 27.983 -6.543) 28.738 8.052 ( 0.632 18.351 -9.711) 20.771 8.215 ( -1.659 13.403 -2.780) 13.789 8.370 ( 4.891 9.325 1.804) 10.683 8.429 ( -0.337 22.299 -3.294) 22.543 8.628 ( 3.368 20.770 -1.295) 21.081 8.679 ( 4.362 22.099 -2.356) 22.648 8.901 ( -4.513 12.431 0.610) 13.239 9.085 ( -1.333 14.175 -0.511) 14.247 9.205 ( -5.777 5.514 -0.019) 7.986 9.328 ( -2.681 5.692 -4.927) 7.991 9.775 ( 3.232 -1.851 11.130) 11.736 9.889 ( -0.255 -1.307 2.220) 2.589 10.002 ( 3.107 0.160 3.197) 4.461 10.065 ( 4.633 7.833 0.202) 9.103 10.225 ( -0.007 -2.424 1.009) 2.626 10.413 ( -1.567 -9.763 -2.471) 10.192 10.518 ( 3.575 0.739 -3.333) 4.943 10.584 ( 7.469 -1.004 -1.724) 7.731 10.734 ( -2.425 6.385 0.639) 6.860 10.749 ( -3.598 2.815 -0.061) 4.569 10.982 ( -1.481 -2.291 2.376) 3.618 11.062 ( 3.448 4.330 -2.883) 6.241 11.124 ( 4.555 0.354 1.156) 4.713 11.207 ( 0.085 1.497 -6.206) 6.385 11.307 ( 4.167 1.441 -3.265) 5.486 11.386 ( 6.408 9.033 -1.116) 11.131 11.504 ( 2.971 -0.919 -6.227) 6.961 11.574 ( 1.361 7.502 -1.749) 7.822 11.809 ( 0.738 10.362 9.013) 13.753 12.074 ( -0.723 9.090 1.596) 9.258 12.142 ( -0.460 6.212 -4.628) 7.760 12.304 ( 1.482 1.732 -0.197) 2.288 12.390 ( -4.927 6.166 16.713) 18.483 12.546 ( -3.882 13.145 4.239) 14.347 12.623 ( -3.946 -0.247 6.429) 7.548 12.701 ( -2.335 5.744 5.884) 8.548 13.015 ( -1.380 7.221 -0.428) 7.364 13.036 ( -4.823 -2.266 -3.480) 6.364 13.136 ( -5.364 1.971 -0.938) 5.791 13.303 ( -3.740 -0.629 -4.069) 5.562 13.924 ( 8.672 -7.909 1.961) 11.900 14.210 ( 4.155 -9.382 -8.989) 13.642 14.857 ( -5.140 -17.532 -0.099) 18.271 14.977 ( -8.266 -21.034 -0.865) 22.616 15.153 ( 1.098 -18.536 -0.419) 18.574 15.264 ( 0.381 -23.558 -2.194) 23.663 16.871 ( 3.518 -14.163 -0.108) 14.594 17.018 ( -1.732 -11.332 -3.265) 11.920 17.464 ( 12.440 -9.348 1.671) 15.651 17.568 ( -1.130 -18.986 2.048) 19.129 17.596 ( 0.471 -14.432 -2.094) 14.591 17.759 ( 1.719 -16.224 -5.713) 17.286 18.116 ( -4.251 -14.050 9.091) 17.266 18.347 ( -7.441 -14.020 -0.668) 15.887 ======================= Grid point 107 (42/81) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 6.424 15.388 1.839) 16.776 3.263 ( -5.831 10.946 1.108) 12.451 3.334 ( 11.681 10.140 -2.837) 15.727 3.510 ( -3.916 6.541 -5.909) 9.645 3.628 ( 3.871 10.218 1.625) 11.047 3.819 ( -11.073 6.200 8.657) 15.362 3.911 ( 8.991 3.036 -3.377) 10.072 4.092 ( -4.747 -1.450 1.828) 5.289 4.607 ( 3.594 16.099 1.684) 16.581 4.714 ( -5.705 19.066 -4.420) 20.386 4.834 ( 8.213 16.748 -2.135) 18.775 4.936 ( -0.218 21.134 -2.890) 21.331 5.293 ( 0.579 20.475 3.282) 20.744 5.372 ( -6.331 19.908 -0.673) 20.901 5.646 ( 1.075 16.632 -0.271) 16.669 5.728 ( -5.565 13.417 -3.204) 14.874 5.833 ( 3.805 11.866 -0.852) 12.490 5.945 ( -4.989 11.302 -0.772) 12.378 6.041 ( 4.797 9.714 -1.437) 10.929 6.172 ( -6.905 9.508 -3.031) 12.135 6.775 ( 9.002 11.203 10.197) 17.621 6.983 ( -10.119 11.111 14.144) 20.637 7.055 ( 11.637 17.975 0.849) 21.430 7.191 ( 0.120 36.776 7.147) 37.464 7.530 ( 3.504 8.618 0.363) 9.310 7.585 ( -2.216 2.660 0.255) 3.471 7.633 ( -3.081 7.551 0.726) 8.187 7.694 ( -6.976 12.102 1.648) 14.066 7.904 ( 1.389 24.946 -8.657) 26.442 7.968 ( -3.459 30.509 -8.093) 31.753 8.029 ( 1.482 27.262 -6.209) 28.000 8.120 ( -6.518 25.383 -5.454) 26.768 8.511 ( 7.671 6.439 0.381) 10.022 8.524 ( 5.280 13.208 -1.972) 14.360 8.704 ( 3.628 23.945 -1.369) 24.257 8.749 ( 1.491 29.720 -3.172) 29.926 8.815 ( -2.499 5.636 0.247) 6.170 8.916 ( -10.709 -2.489 -0.881) 11.030 9.198 ( 2.439 14.051 1.223) 14.313 9.261 ( -3.386 9.461 -2.218) 10.290 9.827 ( 1.932 0.760 7.976) 8.242 9.862 ( -1.589 -0.652 5.931) 6.175 10.116 ( 5.858 2.006 -1.703) 6.422 10.162 ( 1.827 5.204 0.327) 5.525 10.226 ( 1.696 -0.306 0.669) 1.849 10.338 ( -6.553 -5.765 -4.373) 9.762 10.584 ( 8.593 -2.434 3.614) 9.634 10.666 ( 0.371 3.224 0.468) 3.278 10.682 ( -2.013 3.456 -0.521) 4.033 10.801 ( -5.644 -1.027 0.915) 5.809 10.941 ( 6.360 3.934 -4.181) 8.568 11.064 ( -2.995 5.864 -4.241) 7.832 11.235 ( 4.373 0.060 -2.041) 4.827 11.266 ( 2.433 -0.986 -1.453) 3.001 11.404 ( 5.634 2.815 -1.305) 6.432 11.483 ( 1.501 2.024 0.031) 2.520 11.566 ( 0.816 2.502 -6.494) 7.007 11.582 ( 0.553 3.025 -2.561) 4.002 11.865 ( 4.763 8.629 6.315) 11.706 12.016 ( -9.064 7.009 2.729) 11.779 12.120 ( 4.749 3.578 4.254) 7.311 12.260 ( -5.976 -1.997 10.669) 12.391 12.385 ( 2.622 10.392 0.590) 10.733 12.452 ( -3.892 12.387 1.723) 13.098 12.581 ( 0.814 -0.655 3.646) 3.792 12.627 ( -3.464 0.751 4.380) 5.635 12.916 ( -2.182 1.409 -2.588) 3.667 12.970 ( -6.179 -1.158 -4.727) 7.866 13.105 ( 3.801 4.353 3.117) 6.565 13.205 ( -5.239 0.791 -0.470) 5.320 14.124 ( 9.478 -4.432 -0.011) 10.463 14.256 ( -1.720 -4.119 -4.610) 6.417 14.762 ( -1.739 -20.086 -0.482) 20.167 14.819 ( -6.144 -20.484 -0.463) 21.391 15.191 ( 2.265 -18.062 -2.635) 18.393 15.240 ( -2.190 -19.971 -3.483) 20.391 16.947 ( 3.308 -15.431 -0.125) 15.782 16.994 ( -1.224 -14.524 -1.128) 14.619 17.542 ( -0.294 -18.172 0.124) 18.174 17.556 ( -1.221 -16.371 -1.376) 16.474 17.784 ( 12.807 -10.478 -0.102) 16.548 17.844 ( 6.337 -14.596 -1.362) 15.970 18.003 ( -5.245 -13.094 5.839) 15.266 18.134 ( -12.423 -10.861 0.422) 16.506 ======================= Grid point 110 (43/81) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 0.000 10.987 0.129) 10.988 3.306 ( 0.000 12.083 0.569) 12.096 3.558 ( 0.000 0.418 -1.329) 1.393 3.648 ( 0.000 4.864 -2.688) 5.557 3.703 ( 0.000 7.809 3.902) 8.729 3.788 ( 0.000 2.914 0.262) 2.926 4.020 ( 0.000 1.602 -1.791) 2.403 4.083 ( 0.000 -0.602 -4.725) 4.763 4.890 ( 0.000 15.434 11.094) 19.007 4.983 ( 0.000 16.751 4.266) 17.286 5.283 ( 0.000 19.072 -8.208) 20.763 5.290 ( 0.000 15.808 -3.285) 16.145 5.741 ( 0.000 20.434 2.135) 20.545 5.831 ( 0.000 15.249 -5.764) 16.302 6.004 ( 0.000 15.649 1.122) 15.689 6.030 ( 0.000 12.427 -0.778) 12.451 6.127 ( 0.000 10.279 5.099) 11.474 6.303 ( 0.000 14.738 0.369) 14.743 6.350 ( 0.000 8.751 3.457) 9.409 6.567 ( 0.000 5.698 1.479) 5.887 6.584 ( 0.000 3.812 -3.122) 4.927 6.705 ( 0.000 6.445 -7.838) 10.148 7.351 ( 0.000 2.936 13.458) 13.774 7.485 ( 0.000 -2.540 -1.343) 2.873 7.501 ( 0.000 -11.286 5.006) 12.346 7.887 ( 0.000 5.106 -0.123) 5.108 7.901 ( 0.000 12.009 0.707) 12.029 7.999 ( 0.000 3.869 3.236) 5.044 8.055 ( 0.000 -3.743 2.411) 4.452 8.229 ( 0.000 -0.673 -13.843) 13.859 8.426 ( 0.000 24.784 -0.950) 24.802 8.483 ( 0.000 11.942 -1.461) 12.031 8.548 ( 0.000 6.721 2.140) 7.054 8.802 ( 0.000 6.420 -6.746) 9.313 8.919 ( 0.000 21.985 0.421) 21.989 9.070 ( 0.000 8.727 -6.723) 11.017 9.212 ( 0.000 24.143 0.917) 24.161 9.464 ( 0.000 15.652 -6.764) 17.052 9.570 ( 0.000 8.476 2.318) 8.787 9.576 ( 0.000 12.580 0.468) 12.589 9.750 ( 0.000 17.364 7.002) 18.723 9.858 ( 0.000 2.678 2.613) 3.742 9.892 ( 0.000 -5.462 -0.324) 5.471 10.091 ( 0.000 -19.937 -4.331) 20.402 10.213 ( 0.000 20.646 7.083) 21.827 10.506 ( 0.000 19.860 -5.638) 20.644 10.523 ( 0.000 8.121 2.492) 8.495 10.623 ( 0.000 5.209 -0.912) 5.289 10.788 ( 0.000 -4.517 3.202) 5.537 10.833 ( 0.000 0.836 -0.386) 0.920 10.966 ( 0.000 -3.763 -1.716) 4.136 10.985 ( 0.000 2.415 4.443) 5.057 11.017 ( 0.000 1.881 -6.857) 7.111 11.197 ( 0.000 -0.405 -8.330) 8.340 11.297 ( 0.000 2.965 0.274) 2.978 11.508 ( 0.000 4.592 -5.818) 7.412 11.735 ( 0.000 23.945 0.837) 23.959 11.819 ( 0.000 15.233 -0.467) 15.241 12.004 ( 0.000 8.368 10.412) 13.358 12.231 ( 0.000 -0.136 3.383) 3.386 12.301 ( 0.000 10.358 -4.706) 11.377 12.315 ( 0.000 3.215 0.052) 3.216 12.444 ( 0.000 -2.008 17.819) 17.931 12.669 ( 0.000 -0.831 5.908) 5.966 12.815 ( 0.000 10.429 10.900) 15.085 12.992 ( 0.000 15.568 2.532) 15.772 13.050 ( 0.000 1.739 -6.076) 6.320 13.270 ( 0.000 4.294 -6.822) 8.061 13.283 ( 0.000 10.755 0.883) 10.791 13.393 ( 0.000 5.158 -2.574) 5.765 13.599 ( 0.000 -10.367 1.916) 10.543 13.831 ( 0.000 -18.587 -7.349) 19.987 14.614 ( 0.000 -14.281 2.040) 14.426 14.744 ( 0.000 -16.828 -2.251) 16.978 14.748 ( 0.000 -20.635 -3.597) 20.947 14.783 ( 0.000 -16.480 -5.281) 17.306 16.569 ( 0.000 -12.562 3.109) 12.941 16.870 ( 0.000 -10.929 -7.654) 13.342 17.104 ( 0.000 -11.186 3.059) 11.597 17.192 ( 0.000 -19.054 0.600) 19.064 17.302 ( 0.000 -14.311 -1.013) 14.347 17.427 ( 0.000 -16.174 -7.169) 17.692 17.875 ( 0.000 -15.311 10.169) 18.380 18.090 ( 0.000 -18.705 0.466) 18.711 ======================= Grid point 111 (44/81) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 2.149 11.430 0.440) 11.639 3.350 ( 5.112 9.315 -0.363) 10.631 3.522 ( -3.750 3.563 -1.599) 5.414 3.628 ( -0.326 4.130 -2.315) 4.746 3.729 ( 2.092 6.307 3.551) 7.534 3.799 ( 1.789 2.183 0.692) 2.906 4.042 ( -1.071 0.314 -2.702) 2.923 4.074 ( -0.154 -1.406 -0.798) 1.624 4.865 ( -0.795 15.118 7.577) 16.929 5.026 ( 3.625 16.004 4.078) 16.908 5.213 ( -5.810 17.286 -8.904) 20.294 5.311 ( 0.945 16.642 -3.886) 17.116 5.734 ( -1.048 21.028 3.859) 21.405 5.811 ( -1.753 15.788 -3.070) 16.179 5.971 ( -2.535 12.984 0.979) 13.265 6.038 ( 1.305 11.206 -2.978) 11.668 6.057 ( -4.784 13.510 3.394) 14.728 6.252 ( -1.665 12.090 5.139) 13.242 6.312 ( -4.146 16.142 -6.225) 17.791 6.509 ( -4.269 11.754 -1.722) 12.623 6.759 ( 8.643 4.006 0.330) 9.532 6.802 ( 12.073 -1.453 0.998) 12.201 7.272 ( -6.883 2.092 13.558) 15.349 7.477 ( -1.426 -8.506 2.049) 8.865 7.518 ( 1.698 -3.695 -0.659) 4.120 7.790 ( -8.373 3.994 -1.249) 9.361 7.888 ( -1.658 10.173 2.890) 10.705 7.951 ( -6.036 2.511 2.304) 6.932 8.086 ( 7.109 0.456 1.071) 7.203 8.302 ( 5.726 -0.599 -11.923) 13.240 8.443 ( -1.936 12.470 -2.082) 12.790 8.533 ( 7.470 26.503 -2.145) 27.619 8.620 ( 3.509 4.528 -0.936) 5.804 8.794 ( -0.144 9.513 -4.932) 10.716 8.922 ( 1.130 19.445 1.191) 19.514 9.053 ( -3.647 10.220 0.067) 10.851 9.229 ( 3.005 26.096 -5.093) 26.758 9.351 ( -7.090 17.943 -2.675) 19.477 9.492 ( -5.727 5.186 0.703) 7.758 9.620 ( -2.157 16.254 -4.341) 16.962 9.784 ( 7.717 6.548 9.255) 13.714 9.926 ( 4.001 9.089 4.004) 10.707 9.983 ( 7.117 -1.581 0.017) 7.291 10.139 ( 4.244 -12.912 -3.610) 14.063 10.251 ( 3.093 15.754 4.702) 16.729 10.409 ( -4.696 14.317 -2.011) 15.201 10.546 ( -2.997 3.138 1.329) 4.538 10.645 ( 3.108 7.416 -2.139) 8.321 10.771 ( -0.249 0.889 2.254) 2.435 10.801 ( -1.869 0.419 0.889) 2.112 10.916 ( -1.572 -1.397 -2.527) 3.287 11.058 ( 6.517 -0.828 -3.628) 7.505 11.137 ( 5.429 0.278 -0.744) 5.487 11.218 ( 1.810 0.686 -5.345) 5.685 11.354 ( 5.011 2.908 -0.373) 5.806 11.536 ( 1.990 4.076 -5.256) 6.943 11.737 ( 0.060 21.614 0.131) 21.615 11.803 ( -1.807 13.997 0.296) 14.116 11.989 ( -0.376 8.000 11.658) 14.144 12.213 ( -2.107 -2.227 5.458) 6.260 12.236 ( -4.694 7.029 -3.162) 9.024 12.330 ( -0.008 5.521 3.244) 6.404 12.420 ( -1.148 -1.013 8.392) 8.530 12.638 ( -3.118 -0.648 4.719) 5.693 12.768 ( -3.701 11.157 9.031) 14.823 12.867 ( -10.213 8.993 -0.651) 13.623 13.066 ( -0.961 5.352 -4.488) 7.050 13.092 ( -9.946 2.450 -5.835) 11.789 13.241 ( -3.163 6.136 3.536) 7.756 13.350 ( -2.156 6.255 -0.228) 6.620 13.782 ( 12.392 -5.726 0.983) 13.686 13.972 ( 10.541 -13.039 -6.955) 18.152 14.556 ( -5.690 -12.942 -0.089) 14.137 14.593 ( -7.792 -17.302 0.164) 18.977 14.805 ( 1.615 -16.679 -4.892) 17.456 14.833 ( 2.401 -19.721 -4.842) 20.448 16.595 ( 2.320 -13.221 2.437) 13.643 16.794 ( -4.337 -11.691 -3.965) 13.085 17.172 ( 0.479 -18.695 0.260) 18.703 17.237 ( 3.852 -14.902 -3.684) 15.827 17.350 ( 6.695 -11.978 0.955) 13.755 17.447 ( 2.976 -15.272 -4.260) 16.132 17.833 ( -3.897 -15.062 9.681) 18.324 18.036 ( -5.160 -17.560 0.438) 18.308 ======================= Grid point 112 (45/81) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 2.405 9.311 0.519) 9.631 3.424 ( -3.014 5.732 -1.935) 6.759 3.502 ( 6.398 6.637 -2.168) 9.470 3.609 ( -2.764 3.806 -4.749) 6.684 3.784 ( 3.914 5.508 4.805) 8.292 3.874 ( 0.887 0.591 4.314) 4.443 3.955 ( -1.142 1.171 1.205) 2.032 4.050 ( -3.987 -2.404 0.542) 4.688 4.899 ( 4.369 14.168 1.120) 14.869 5.031 ( -6.937 13.472 -3.571) 15.568 5.168 ( 5.831 16.739 -4.185) 18.213 5.290 ( -3.909 15.018 -4.943) 16.287 5.717 ( 0.687 21.187 4.477) 21.665 5.765 ( -2.793 18.695 2.222) 19.032 5.942 ( -0.058 11.383 1.602) 11.495 5.968 ( -3.015 13.429 2.603) 14.007 6.093 ( 3.710 14.510 -5.195) 15.852 6.191 ( -5.220 14.465 -6.548) 16.714 6.294 ( 3.958 15.422 2.407) 16.103 6.405 ( -5.641 14.253 -0.426) 15.335 6.908 ( 7.823 3.908 7.479) 11.506 7.075 ( -3.285 -0.837 10.333) 10.875 7.148 ( 9.959 -1.662 2.127) 10.318 7.402 ( -7.908 -7.840 0.076) 11.136 7.549 ( 1.430 -1.623 -0.773) 2.297 7.614 ( -6.324 0.745 -0.608) 6.396 7.846 ( -1.463 8.710 3.068) 9.349 7.854 ( -2.586 7.039 2.681) 7.964 8.256 ( 7.789 3.599 -2.161) 8.848 8.382 ( -4.073 7.084 -5.462) 9.829 8.443 ( 7.186 -2.338 -8.222) 11.168 8.581 ( -4.514 0.674 -9.437) 10.483 8.719 ( 7.376 34.279 1.621) 35.101 8.817 ( 0.986 19.125 -2.162) 19.272 8.932 ( -3.871 22.307 2.720) 22.803 8.949 ( -2.381 7.584 1.890) 8.171 9.232 ( 0.557 18.894 -1.319) 18.948 9.308 ( -2.803 18.945 -0.948) 19.174 9.419 ( 2.944 6.159 -3.284) 7.575 9.533 ( -5.519 13.205 -4.313) 14.948 9.941 ( 5.086 11.674 7.752) 14.908 9.982 ( 0.868 12.693 5.941) 14.041 10.138 ( 6.870 1.205 0.019) 6.975 10.223 ( 0.996 -1.787 -2.957) 3.596 10.283 ( 0.554 8.290 0.440) 8.320 10.339 ( -2.482 10.961 -1.833) 11.387 10.558 ( 5.753 1.206 3.580) 6.882 10.653 ( -1.106 -1.167 -2.178) 2.708 10.709 ( -1.940 1.110 0.501) 2.290 10.773 ( -6.077 -1.612 4.386) 7.666 11.008 ( 9.678 3.029 -8.022) 12.931 11.139 ( -0.939 2.142 -8.176) 8.504 11.218 ( 2.895 -0.987 2.039) 3.676 11.245 ( 0.155 0.500 0.084) 0.530 11.476 ( 6.004 3.087 -1.326) 6.880 11.556 ( -0.846 3.012 -3.140) 4.433 11.729 ( -0.958 14.085 -0.060) 14.117 11.741 ( -3.060 11.073 2.139) 11.685 12.045 ( 5.564 8.572 12.356) 16.034 12.127 ( -3.066 2.604 7.861) 8.831 12.180 ( -2.316 1.930 -1.861) 3.543 12.243 ( -6.225 5.670 6.660) 10.735 12.466 ( 3.967 -2.763 -0.696) 4.884 12.549 ( -4.774 -3.487 1.081) 6.010 12.684 ( -3.522 8.906 2.138) 9.813 12.698 ( -3.647 11.294 1.995) 12.034 12.949 ( -2.833 2.757 -6.627) 7.716 12.981 ( -4.960 3.646 -5.462) 8.229 13.247 ( 2.297 8.374 6.713) 10.976 13.299 ( -2.593 7.937 4.713) 9.588 14.038 ( 11.455 -4.131 -0.181) 12.179 14.158 ( 4.068 -5.566 -5.186) 8.627 14.401 ( -5.223 -15.670 0.401) 16.522 14.455 ( -6.380 -15.856 -0.927) 17.117 14.837 ( 1.311 -17.538 -5.058) 18.300 14.854 ( -0.146 -18.787 -5.391) 19.546 16.655 ( 3.171 -13.985 0.841) 14.365 16.720 ( -3.139 -13.404 -1.299) 13.828 17.184 ( 1.357 -17.895 -2.287) 18.092 17.228 ( -2.444 -16.896 -4.551) 17.668 17.529 ( 7.073 -14.306 1.326) 16.014 17.580 ( 7.010 -13.324 -0.200) 15.057 17.744 ( -1.881 -13.866 7.438) 15.847 17.881 ( -9.379 -14.867 1.039) 17.609 ======================= Grid point 115 (46/81) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 0.000 4.256 -0.887) 4.347 3.475 ( 0.000 5.107 -1.618) 5.357 3.554 ( 0.000 0.220 0.641) 0.678 3.688 ( 0.000 -0.352 -3.355) 3.373 3.839 ( 0.000 5.721 4.086) 7.030 3.865 ( 0.000 4.658 4.051) 6.174 4.038 ( 0.000 0.233 -1.377) 1.397 4.067 ( 0.000 -1.090 -3.210) 3.390 5.192 ( 0.000 14.704 8.521) 16.994 5.289 ( 0.000 14.196 3.932) 14.731 5.522 ( 0.000 8.606 -3.400) 9.253 5.580 ( 0.000 10.785 -6.066) 12.374 6.085 ( 0.000 13.879 -2.355) 14.078 6.153 ( 0.000 16.679 -4.449) 17.262 6.201 ( 0.000 7.869 2.130) 8.152 6.302 ( 0.000 13.016 -1.219) 13.073 6.313 ( 0.000 5.870 4.441) 7.360 6.503 ( 0.000 7.518 5.063) 9.064 6.539 ( 0.000 4.723 3.239) 5.727 6.628 ( 0.000 6.148 -7.010) 9.324 6.792 ( 0.000 17.406 -3.005) 17.663 6.853 ( 0.000 6.891 -6.435) 9.428 7.266 ( 0.000 -11.084 9.034) 14.300 7.374 ( 0.000 1.161 8.570) 8.648 7.429 ( 0.000 -1.398 -2.350) 2.734 7.837 ( 0.000 -13.477 0.531) 13.488 7.951 ( 0.000 -7.070 -0.304) 7.077 7.991 ( 0.000 1.224 1.700) 2.095 8.040 ( 0.000 4.701 -1.843) 5.049 8.144 ( 0.000 -8.595 -11.066) 14.012 8.387 ( 0.000 -2.201 1.567) 2.702 8.489 ( 0.000 -2.084 -1.236) 2.423 8.778 ( 0.000 -8.778 2.956) 9.262 9.009 ( 0.000 -12.445 8.971) 15.342 9.079 ( 0.000 -2.200 -6.635) 6.991 9.297 ( 0.000 32.230 -1.436) 32.262 9.535 ( 0.000 -22.635 -1.521) 22.686 9.582 ( 0.000 12.632 -2.143) 12.813 9.677 ( 0.000 7.732 3.658) 8.554 9.797 ( 0.000 11.017 -2.549) 11.308 9.876 ( 0.000 17.970 -3.650) 18.337 9.923 ( 0.000 9.003 -7.692) 11.842 10.118 ( 0.000 15.299 3.874) 15.782 10.210 ( 0.000 18.458 1.168) 18.495 10.567 ( 0.000 12.851 3.296) 13.267 10.655 ( 0.000 0.764 0.071) 0.767 10.703 ( 0.000 8.828 0.649) 8.852 10.744 ( 0.000 3.398 2.239) 4.069 10.857 ( 0.000 1.822 0.178) 1.830 10.937 ( 0.000 16.553 -5.535) 17.454 10.995 ( 0.000 5.560 0.417) 5.575 11.011 ( 0.000 -2.287 -1.848) 2.940 11.073 ( 0.000 7.931 1.766) 8.125 11.218 ( 0.000 1.561 -8.974) 9.109 11.388 ( 0.000 6.995 5.142) 8.682 11.628 ( 0.000 7.381 -2.375) 7.753 12.063 ( 0.000 7.062 4.060) 8.146 12.103 ( 0.000 -1.962 10.828) 11.004 12.173 ( 0.000 9.939 2.943) 10.365 12.203 ( 0.000 11.212 1.085) 11.264 12.338 ( 0.000 0.236 -2.007) 2.021 12.460 ( 0.000 4.080 -4.143) 5.815 12.530 ( 0.000 9.623 11.631) 15.095 12.648 ( 0.000 -0.606 6.745) 6.772 12.998 ( 0.000 6.750 14.014) 15.555 13.134 ( 0.000 6.814 -6.296) 9.278 13.211 ( 0.000 2.240 -9.584) 9.842 13.344 ( 0.000 4.624 -1.086) 4.750 13.439 ( 0.000 0.352 -1.570) 1.609 13.530 ( 0.000 6.816 0.888) 6.874 13.534 ( 0.000 10.201 0.148) 10.202 13.604 ( 0.000 2.869 0.380) 2.894 14.312 ( 0.000 -16.126 -0.834) 16.147 14.444 ( 0.000 -12.684 -3.759) 13.229 14.455 ( 0.000 -9.629 -6.258) 11.484 14.515 ( 0.000 -11.468 -6.324) 13.096 16.362 ( 0.000 -7.774 4.238) 8.854 16.629 ( 0.000 -13.128 -3.613) 13.616 16.849 ( 0.000 -14.396 -0.068) 14.396 16.858 ( 0.000 -14.628 -4.104) 15.193 17.028 ( 0.000 -13.133 0.895) 13.163 17.120 ( 0.000 -14.737 -6.353) 16.048 17.559 ( 0.000 -16.497 9.324) 18.950 17.700 ( 0.000 -20.446 2.421) 20.589 ======================= Grid point 116 (47/81) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 3.102 3.490 -1.522) 4.911 3.487 ( 0.884 5.064 -0.923) 5.223 3.556 ( 0.097 0.869 0.030) 0.875 3.683 ( -0.368 0.653 -3.546) 3.624 3.838 ( 0.348 4.690 3.815) 6.055 3.849 ( -0.630 3.263 4.301) 5.435 4.030 ( -2.666 -1.290 -2.022) 3.586 4.049 ( -0.784 -1.274 -1.481) 2.105 5.163 ( -1.426 14.872 6.935) 16.471 5.314 ( 1.513 13.156 3.773) 13.770 5.481 ( -4.034 10.074 -7.090) 12.963 5.571 ( -0.499 10.061 -3.965) 10.825 6.049 ( -4.016 8.891 2.963) 10.196 6.120 ( -2.794 14.044 1.409) 14.388 6.214 ( -0.501 14.740 -1.359) 14.811 6.227 ( 3.218 11.364 -2.852) 12.151 6.384 ( -0.077 15.401 1.828) 15.509 6.479 ( 0.079 11.088 3.922) 11.762 6.622 ( -0.868 8.903 -7.386) 11.600 6.697 ( 11.408 -0.057 4.169) 12.146 6.785 ( -2.064 13.564 -2.630) 13.970 6.860 ( 2.372 4.798 -2.903) 6.089 7.244 ( -2.342 -9.492 8.332) 12.846 7.304 ( -5.245 0.152 6.721) 8.527 7.464 ( 2.892 -1.858 -3.459) 4.876 7.734 ( -7.188 -7.124 -1.376) 10.214 7.933 ( -1.752 -4.179 -0.263) 4.539 7.986 ( -1.968 -1.754 -1.707) 3.141 8.107 ( 6.382 3.555 -0.586) 7.329 8.208 ( 4.942 -8.360 -7.347) 12.178 8.410 ( 0.494 -5.205 0.608) 5.264 8.479 ( -0.755 -3.916 -2.713) 4.823 8.780 ( 0.700 -8.699 5.304) 10.212 8.973 ( -2.599 -10.354 8.714) 13.780 9.130 ( 3.918 -5.373 -4.855) 8.233 9.328 ( 2.322 26.395 -3.607) 26.741 9.474 ( -4.079 -11.062 -0.070) 11.790 9.626 ( 3.509 12.939 -2.115) 13.573 9.685 ( -0.847 15.678 -0.341) 15.705 9.819 ( 1.548 18.207 -7.431) 19.726 9.962 ( 6.718 11.009 -0.288) 12.900 9.975 ( 5.791 4.525 -1.226) 7.451 10.180 ( 5.455 12.075 2.384) 13.463 10.239 ( 3.852 15.137 1.094) 15.658 10.557 ( -1.580 11.102 1.080) 11.266 10.604 ( -5.292 7.449 0.990) 9.191 10.692 ( 1.641 9.612 1.816) 9.919 10.754 ( 0.058 3.177 1.955) 3.731 10.805 ( -4.276 1.432 -0.519) 4.540 10.885 ( -6.515 5.497 0.244) 8.528 10.969 ( 2.856 8.390 -4.476) 9.929 11.082 ( 1.716 -1.391 -2.161) 3.090 11.144 ( 6.747 5.273 -1.396) 8.675 11.240 ( 1.905 2.143 -3.107) 4.228 11.441 ( 4.226 6.504 3.494) 8.507 11.654 ( 1.304 7.085 -1.252) 7.312 12.031 ( -3.595 6.120 4.003) 8.149 12.059 ( -3.212 -0.329 9.012) 9.573 12.121 ( -3.915 8.276 4.103) 10.032 12.207 ( 0.505 10.868 1.212) 10.947 12.344 ( -1.057 1.666 -0.232) 1.987 12.370 ( -4.384 0.956 -2.929) 5.358 12.515 ( -2.504 8.383 7.404) 11.461 12.611 ( -4.254 -0.794 6.131) 7.504 12.971 ( -3.541 8.274 8.089) 12.101 13.039 ( -6.704 9.591 -2.183) 11.904 13.119 ( -6.979 1.716 -9.674) 12.051 13.231 ( -6.811 8.670 -1.442) 11.119 13.358 ( 1.570 7.780 2.391) 8.289 13.544 ( -1.781 12.272 2.583) 12.666 13.727 ( 11.644 0.377 0.789) 11.677 13.798 ( 13.308 -2.794 -2.433) 13.814 14.288 ( -2.637 -13.476 -1.006) 13.768 14.355 ( -5.951 -8.335 -2.092) 10.453 14.496 ( 1.472 -13.373 -7.327) 15.320 14.517 ( 0.163 -12.928 -7.072) 14.737 16.375 ( 1.258 -8.512 3.225) 9.189 16.559 ( -4.614 -11.759 -2.283) 12.836 16.825 ( 0.116 -16.191 -1.956) 16.309 16.927 ( 0.910 -16.193 -6.057) 17.312 17.105 ( 7.194 -12.548 0.925) 14.493 17.162 ( 4.832 -13.656 -2.455) 14.693 17.522 ( -3.363 -16.209 9.164) 18.921 17.666 ( -3.389 -19.588 2.090) 19.989 ======================= Grid point 117 (48/81) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( 0.402 4.880 -0.188) 4.901 3.505 ( 0.244 2.848 -1.415) 3.189 3.587 ( 3.650 2.149 -1.943) 4.660 3.660 ( -2.426 1.254 -3.524) 4.458 3.855 ( 1.798 2.166 3.949) 4.850 3.879 ( 2.078 0.469 2.306) 3.139 3.956 ( -2.247 -0.832 1.097) 2.635 4.005 ( -3.682 -2.157 -0.476) 4.294 5.173 ( 2.795 13.666 2.886) 14.244 5.272 ( -5.651 11.335 -0.731) 12.687 5.462 ( 3.180 12.527 -4.235) 13.600 5.538 ( -3.032 10.226 -4.103) 11.428 6.003 ( 0.337 7.642 6.473) 10.021 6.049 ( -3.400 9.612 5.889) 11.774 6.224 ( 1.992 18.522 -0.178) 18.630 6.286 ( -2.223 19.111 1.887) 19.332 6.392 ( 4.794 14.671 -5.556) 16.404 6.487 ( -1.798 14.937 -3.266) 15.395 6.601 ( 1.610 13.442 -1.678) 13.641 6.697 ( -5.604 12.740 -2.133) 14.081 6.948 ( 10.048 -7.100 3.132) 12.695 6.954 ( 5.595 0.395 2.772) 6.256 7.147 ( -4.669 0.303 7.140) 8.536 7.205 ( -5.750 -7.648 4.394) 10.529 7.528 ( 2.977 -0.840 -3.710) 4.830 7.601 ( -4.855 -1.610 -3.007) 5.933 7.904 ( -0.274 -1.874 -1.489) 2.409 7.932 ( -2.596 -0.511 -2.835) 3.878 8.257 ( 7.065 -0.337 -0.971) 7.139 8.315 ( 5.468 -8.858 -5.224) 11.647 8.369 ( -3.853 -3.645 -1.222) 5.442 8.432 ( -4.656 -8.431 -4.805) 10.764 8.829 ( 3.890 -9.530 9.316) 13.883 8.911 ( -3.508 -10.399 9.771) 14.694 9.216 ( 4.181 -6.941 -3.740) 8.925 9.306 ( -4.347 -5.702 -4.727) 8.588 9.484 ( 5.341 25.584 -0.508) 26.140 9.611 ( -5.788 24.975 -2.944) 25.805 9.717 ( 4.634 17.049 -3.826) 18.077 9.800 ( -2.960 17.595 -6.446) 18.971 10.115 ( 6.521 5.161 3.399) 8.984 10.139 ( 6.590 7.037 2.299) 9.911 10.306 ( 5.404 11.259 -0.534) 12.500 10.347 ( 3.285 10.795 -0.373) 11.290 10.486 ( -0.771 8.812 1.341) 8.947 10.550 ( -1.474 8.712 -1.307) 8.932 10.663 ( -5.646 1.626 -1.680) 6.111 10.667 ( -5.866 7.050 -1.064) 9.232 10.776 ( 1.851 6.740 3.422) 7.782 10.809 ( -1.183 5.956 4.968) 7.845 11.051 ( 4.457 1.236 -5.696) 7.337 11.113 ( -0.410 -3.901 -2.632) 4.724 11.234 ( 3.496 0.378 0.244) 3.525 11.289 ( 0.577 5.113 -0.578) 5.178 11.543 ( 5.420 4.690 1.076) 7.247 11.635 ( -2.917 5.274 1.500) 6.211 11.932 ( -3.659 4.919 4.779) 7.773 11.963 ( -5.669 7.011 4.516) 10.084 12.120 ( 4.416 2.472 3.701) 6.270 12.210 ( -2.199 8.045 2.160) 8.615 12.277 ( 0.764 5.372 1.426) 5.610 12.359 ( -2.241 -1.577 4.588) 5.344 12.451 ( -2.414 6.986 1.112) 7.474 12.479 ( -5.472 -1.969 2.356) 6.274 12.887 ( -1.883 11.168 -2.285) 11.554 12.917 ( -4.432 10.804 -1.137) 11.733 13.060 ( 0.579 8.366 -3.420) 9.056 13.112 ( -4.311 9.245 -2.509) 10.505 13.423 ( 3.575 9.823 5.908) 12.008 13.492 ( -3.030 11.307 5.998) 13.153 13.967 ( 11.214 -3.054 0.357) 11.628 14.047 ( 10.213 -5.550 -2.660) 11.924 14.178 ( -8.512 -6.823 -0.925) 10.948 14.219 ( -6.741 -7.693 -1.251) 10.305 14.516 ( 0.511 -14.700 -8.156) 16.819 14.520 ( 0.069 -14.517 -7.853) 16.505 16.414 ( 2.463 -9.914 1.370) 10.307 16.475 ( -3.445 -10.985 -0.458) 11.522 16.847 ( 1.932 -16.208 -4.297) 16.879 16.898 ( -2.616 -16.459 -6.378) 17.844 17.249 ( 6.366 -13.722 2.614) 15.351 17.308 ( 4.964 -13.918 0.192) 14.779 17.450 ( -0.991 -15.757 7.447) 17.456 17.557 ( -6.860 -17.531 2.068) 18.939 ======================= Grid point 120 (49/81) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 0.000 1.583 -0.803) 1.775 3.507 ( 0.000 -0.343 -1.538) 1.576 3.593 ( 0.000 2.587 0.918) 2.746 3.665 ( 0.000 -1.502 -1.122) 1.875 3.931 ( 0.000 3.717 2.491) 4.475 3.946 ( 0.000 3.325 1.723) 3.744 4.031 ( 0.000 -0.832 -0.758) 1.126 4.040 ( 0.000 -1.688 -1.152) 2.044 5.450 ( 0.000 11.144 4.810) 12.138 5.531 ( 0.000 10.094 3.182) 10.584 5.638 ( 0.000 2.950 -2.349) 3.771 5.708 ( 0.000 2.484 -1.087) 2.712 6.255 ( 0.000 5.316 -1.820) 5.618 6.362 ( 0.000 4.740 -1.389) 4.939 6.412 ( 0.000 5.863 3.140) 6.651 6.437 ( 0.000 10.222 1.723) 10.367 6.474 ( 0.000 -1.053 -7.395) 7.469 6.516 ( 0.000 4.918 -6.009) 7.765 6.637 ( 0.000 5.371 6.454) 8.396 6.818 ( 0.000 2.552 -2.210) 3.376 6.951 ( 0.000 9.829 1.429) 9.932 7.122 ( 0.000 -1.624 10.367) 10.494 7.151 ( 0.000 15.208 -6.374) 16.490 7.463 ( 0.000 6.204 1.285) 6.335 7.463 ( 0.000 0.357 -0.775) 0.853 7.565 ( 0.000 -8.322 -2.892) 8.810 7.809 ( 0.000 -15.257 -4.433) 15.888 7.811 ( 0.000 -3.983 -3.683) 5.425 7.991 ( 0.000 -0.818 3.973) 4.057 8.154 ( 0.000 -3.058 -1.884) 3.592 8.395 ( 0.000 1.324 0.533) 1.427 8.448 ( 0.000 -3.924 -0.920) 4.030 8.596 ( 0.000 -5.843 5.610) 8.100 8.771 ( 0.000 -6.903 5.267) 8.683 8.877 ( 0.000 -19.654 -4.626) 20.191 9.019 ( 0.000 -16.411 -1.838) 16.513 9.730 ( 0.000 9.853 -0.904) 9.894 9.767 ( 0.000 7.236 -0.231) 7.240 9.888 ( 0.000 3.593 0.011) 3.593 9.957 ( 0.000 -0.995 -2.469) 2.662 10.060 ( 0.000 18.261 -0.073) 18.262 10.219 ( 0.000 7.998 -3.794) 8.852 10.390 ( 0.000 14.862 -0.480) 14.870 10.511 ( 0.000 10.512 -1.239) 10.585 10.686 ( 0.000 3.607 3.064) 4.733 10.748 ( 0.000 6.262 -1.193) 6.375 10.770 ( 0.000 -1.660 3.000) 3.429 10.813 ( 0.000 0.226 -0.136) 0.264 10.961 ( 0.000 8.087 -2.792) 8.556 11.013 ( 0.000 4.660 0.665) 4.707 11.112 ( 0.000 5.139 0.591) 5.173 11.147 ( 0.000 4.787 -3.430) 5.889 11.222 ( 0.000 4.123 1.972) 4.570 11.225 ( 0.000 -0.916 -5.777) 5.849 11.571 ( 0.000 10.663 7.285) 12.914 11.777 ( 0.000 7.512 -0.438) 7.525 11.960 ( 0.000 -7.985 12.195) 14.576 12.112 ( 0.000 -1.599 -0.133) 1.605 12.268 ( 0.000 -1.407 -2.181) 2.595 12.284 ( 0.000 -2.244 1.889) 2.933 12.444 ( 0.000 4.213 -0.020) 4.213 12.463 ( 0.000 -0.320 -1.243) 1.284 12.678 ( 0.000 4.669 10.118) 11.143 12.732 ( 0.000 8.260 13.056) 15.450 13.079 ( 0.000 2.732 7.085) 7.594 13.169 ( 0.000 -1.134 -6.170) 6.274 13.313 ( 0.000 11.480 -5.399) 12.686 13.518 ( 0.000 9.289 -1.012) 9.344 13.522 ( 0.000 7.001 -0.330) 7.009 13.625 ( 0.000 2.077 1.720) 2.697 13.757 ( 0.000 9.575 -3.995) 10.375 13.822 ( 0.000 13.453 2.562) 13.695 14.025 ( 0.000 -11.886 -9.974) 15.516 14.265 ( 0.000 -5.415 -3.787) 6.608 14.313 ( 0.000 -9.474 -5.439) 10.924 14.322 ( 0.000 -4.593 -3.764) 5.938 16.289 ( 0.000 0.557 1.929) 2.008 16.400 ( 0.000 -8.603 -0.325) 8.609 16.572 ( 0.000 -12.299 -0.620) 12.315 16.617 ( 0.000 -10.034 -5.799) 11.589 16.812 ( 0.000 -7.990 0.271) 7.994 16.867 ( 0.000 -10.274 -4.675) 11.288 17.259 ( 0.000 -12.661 7.877) 14.911 17.322 ( 0.000 -16.432 4.484) 17.033 ======================= Grid point 121 (50/81) ======================= q-point: ( 0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 2.244 1.304 -0.953) 2.764 3.528 ( 1.999 -0.011 -1.600) 2.561 3.592 ( -0.079 2.498 0.863) 2.644 3.669 ( 0.231 -1.493 -1.525) 2.147 3.905 ( -1.868 2.770 2.160) 3.978 3.922 ( -1.718 3.372 1.894) 4.232 3.998 ( -3.162 -1.805 -0.828) 3.734 4.020 ( -1.791 -1.669 -0.996) 2.643 5.435 ( -0.985 12.212 5.259) 13.332 5.538 ( -0.642 9.432 3.128) 9.958 5.618 ( -0.864 3.781 -2.990) 4.897 5.702 ( -0.729 2.950 -0.810) 3.144 6.175 ( -4.539 5.885 2.131) 7.732 6.309 ( -4.495 6.683 1.584) 8.209 6.446 ( 4.237 7.158 -1.240) 8.410 6.497 ( 2.845 8.914 1.346) 9.453 6.502 ( 3.734 -6.682 -2.576) 8.076 6.608 ( 4.782 6.128 -6.224) 9.958 6.681 ( 5.012 7.045 -0.052) 8.646 6.804 ( -1.611 3.428 -2.013) 4.289 6.972 ( 1.658 8.668 2.398) 9.145 7.059 ( -2.883 8.904 1.808) 9.532 7.190 ( 1.004 6.644 0.879) 6.776 7.355 ( -7.994 1.496 -0.983) 8.192 7.475 ( 0.721 1.747 0.701) 2.016 7.582 ( 0.680 -3.678 -3.429) 5.074 7.816 ( 0.695 -8.014 -2.340) 8.377 7.845 ( 1.724 -7.476 -3.815) 8.568 8.027 ( 3.462 -4.367 2.883) 6.274 8.171 ( 1.631 -4.349 -1.930) 5.030 8.361 ( -2.731 -1.148 0.281) 2.975 8.405 ( -4.303 -4.862 -1.476) 6.658 8.605 ( 1.287 -5.641 7.107) 9.164 8.754 ( -1.489 -6.146 6.435) 9.022 8.909 ( 2.646 -18.139 -4.436) 18.861 9.017 ( -0.348 -16.015 -1.843) 16.124 9.790 ( 5.162 11.585 -2.190) 12.870 9.833 ( 6.109 8.104 -0.665) 10.170 9.957 ( 5.586 7.009 0.582) 8.982 10.033 ( 5.619 1.891 -2.724) 6.525 10.114 ( 5.618 12.084 -1.023) 13.366 10.208 ( -0.661 8.602 -5.294) 10.123 10.390 ( 0.672 10.772 2.240) 11.023 10.478 ( -1.865 8.509 -0.126) 8.712 10.697 ( 0.811 5.329 0.540) 5.417 10.753 ( -1.913 5.573 -0.272) 5.898 10.793 ( 2.120 -0.227 1.294) 2.494 10.861 ( -7.998 5.692 2.476) 10.124 10.879 ( 5.231 2.165 -0.971) 5.744 10.915 ( -4.659 5.867 -2.167) 7.799 11.064 ( -6.498 0.364 0.172) 6.510 11.091 ( -3.686 0.898 -2.862) 4.752 11.246 ( 3.183 4.333 -2.950) 6.132 11.325 ( 6.644 4.120 0.272) 7.823 11.610 ( 2.073 9.721 7.486) 12.443 11.782 ( -1.493 5.929 4.157) 7.394 11.949 ( 0.778 -6.324 7.830) 10.094 12.064 ( -4.148 -2.743 -1.560) 5.211 12.224 ( -4.193 0.027 1.852) 4.584 12.273 ( -0.279 -3.141 -2.703) 4.153 12.407 ( -2.099 4.531 1.144) 5.123 12.436 ( -2.385 3.310 0.133) 4.082 12.607 ( -5.764 4.245 10.302) 12.545 12.694 ( -4.376 5.264 9.523) 11.728 13.088 ( 0.175 4.493 2.165) 4.990 13.169 ( 0.884 2.748 -3.461) 4.507 13.247 ( -5.278 11.524 -3.998) 13.291 13.402 ( -6.393 7.376 -0.309) 9.766 13.549 ( 2.911 10.107 -0.292) 10.522 13.751 ( 7.658 0.251 1.620) 7.831 13.789 ( -1.748 10.534 3.361) 11.194 13.854 ( 5.892 6.536 -1.178) 8.878 14.054 ( 2.420 -8.953 -9.798) 13.491 14.230 ( -3.208 -4.087 -2.809) 5.907 14.301 ( -0.940 -9.171 -6.758) 11.430 14.317 ( -0.544 -5.440 -5.062) 7.451 16.287 ( -0.054 -0.153 1.265) 1.275 16.371 ( -2.386 -5.994 -0.322) 6.459 16.543 ( -0.608 -12.170 -2.741) 12.490 16.628 ( -0.679 -13.346 -5.751) 14.548 16.890 ( 6.304 -8.196 0.484) 10.351 16.926 ( 5.440 -9.572 -1.547) 11.119 17.228 ( -2.757 -12.238 7.742) 14.741 17.302 ( -2.149 -15.965 3.853) 16.563 ======================= Grid point 122 (51/81) ======================= q-point: ( 0.40 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 1.831 1.713 -0.852) 2.648 3.570 ( 0.250 2.450 -1.070) 2.685 3.602 ( 2.430 -0.039 -0.652) 2.516 3.658 ( -1.783 -1.210 -2.053) 2.976 3.884 ( 0.184 1.212 1.373) 1.841 3.899 ( -0.438 1.314 1.363) 1.943 3.933 ( -1.748 -1.272 0.383) 2.196 3.965 ( -3.154 -1.964 -0.593) 3.763 5.430 ( 0.924 12.098 4.423) 12.915 5.480 ( -3.587 9.627 1.747) 10.421 5.636 ( 1.928 4.460 -0.108) 4.860 5.677 ( -1.711 3.154 0.122) 3.590 6.136 ( 0.870 7.543 4.582) 8.868 6.198 ( -4.857 7.149 4.971) 9.970 6.538 ( 3.039 2.936 -5.211) 6.708 6.554 ( 2.248 -1.265 -5.696) 6.253 6.620 ( 5.797 -2.465 0.540) 6.322 6.664 ( 1.387 16.793 -2.368) 17.016 6.746 ( -0.969 7.941 -2.105) 8.272 6.774 ( -0.692 6.892 -2.868) 7.496 7.023 ( 3.503 5.473 1.721) 6.722 7.041 ( 1.297 10.080 1.122) 10.225 7.164 ( -3.023 4.445 1.972) 5.726 7.190 ( -6.561 0.919 0.253) 6.630 7.517 ( 3.071 0.813 -1.290) 3.429 7.571 ( -1.713 0.574 -3.061) 3.554 7.830 ( 0.864 -5.122 -1.899) 5.531 7.853 ( -0.882 -5.392 -2.941) 6.205 8.128 ( 5.912 -7.953 0.775) 9.940 8.212 ( 1.263 -7.038 -1.490) 7.304 8.287 ( -4.854 -5.975 -1.220) 7.794 8.301 ( -3.413 -4.658 -0.522) 5.798 8.651 ( 2.903 -4.841 8.602) 10.289 8.711 ( -2.611 -5.267 8.162) 10.059 8.964 ( 2.298 -16.229 -3.537) 16.768 9.000 ( -1.228 -15.545 -2.410) 15.778 9.915 ( 6.235 14.269 -3.908) 16.055 9.978 ( 5.987 9.664 -3.807) 11.988 10.018 ( -1.278 14.117 -1.938) 14.306 10.073 ( -2.194 8.615 -4.119) 9.797 10.265 ( 7.031 8.113 1.551) 10.847 10.292 ( 8.291 7.680 1.370) 11.385 10.444 ( 4.021 3.653 0.078) 5.434 10.485 ( 0.784 2.854 -0.558) 3.012 10.622 ( -4.316 5.588 2.065) 7.357 10.681 ( -4.484 4.664 -0.486) 6.488 10.707 ( -6.039 1.950 -0.695) 6.384 10.749 ( -5.967 1.386 -1.480) 6.302 10.896 ( 1.557 4.008 1.068) 4.430 10.925 ( -2.413 3.908 1.072) 4.716 11.025 ( 1.636 -3.420 -1.866) 4.226 11.041 ( 0.905 -3.184 -4.566) 5.640 11.306 ( 4.946 7.987 3.551) 10.043 11.428 ( -1.851 8.701 1.282) 8.988 11.613 ( 2.623 0.462 5.618) 6.217 11.730 ( -4.592 2.254 3.964) 6.472 11.946 ( 1.750 0.171 3.922) 4.299 12.041 ( -2.616 3.241 0.537) 4.200 12.157 ( 1.698 -2.210 1.069) 2.985 12.242 ( -2.934 -3.530 -2.849) 5.402 12.386 ( -1.404 5.049 4.830) 7.127 12.399 ( -0.696 6.671 6.308) 9.208 12.495 ( -1.692 2.469 3.715) 4.770 12.571 ( -6.252 3.117 4.185) 8.143 13.093 ( 0.860 9.247 -3.023) 9.766 13.137 ( -3.500 11.203 -4.834) 12.693 13.219 ( 2.590 5.823 0.670) 6.408 13.291 ( -4.361 6.810 -0.349) 8.094 13.629 ( 4.410 10.314 3.640) 11.794 13.720 ( -4.171 10.627 5.861) 12.833 13.905 ( 6.454 -4.061 1.629) 7.797 13.961 ( 2.356 -3.095 -0.613) 3.937 14.099 ( 1.563 -1.726 -6.611) 7.009 14.148 ( -3.840 0.023 -3.226) 5.015 14.286 ( -0.169 -8.837 -8.731) 12.424 14.299 ( -1.086 -7.238 -7.598) 10.550 16.294 ( 0.854 -1.614 0.313) 1.853 16.323 ( -1.934 -3.353 -0.195) 3.875 16.556 ( 1.516 -13.076 -4.505) 13.913 16.596 ( -2.055 -13.797 -5.842) 15.123 17.018 ( 5.677 -8.714 2.673) 10.738 17.062 ( 5.264 -10.134 0.716) 11.442 17.160 ( -2.452 -12.131 6.599) 14.026 17.228 ( -4.940 -14.638 3.012) 15.740 ======================= Grid point 125 (52/81) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 0.000 -0.689 -0.829) 1.079 3.496 ( 0.000 0.689 -0.829) 1.079 3.634 ( 0.000 -1.711 -0.011) 1.711 3.634 ( 0.000 1.711 -0.011) 1.711 3.984 ( 0.000 -0.847 0.508) 0.988 3.984 ( 0.000 0.847 0.508) 0.988 4.012 ( 0.000 -0.234 0.361) 0.430 4.012 ( 0.000 0.234 0.361) 0.430 5.611 ( 0.000 -4.467 0.326) 4.479 5.611 ( 0.000 4.467 0.326) 4.479 5.688 ( 0.000 -4.135 2.474) 4.819 5.688 ( 0.000 4.135 2.474) 4.819 6.359 ( 0.000 -5.576 -4.448) 7.133 6.359 ( 0.000 5.576 -4.448) 7.133 6.432 ( 0.000 -2.978 -2.748) 4.052 6.432 ( 0.000 2.978 -2.748) 4.052 6.590 ( 0.000 -1.867 3.616) 4.070 6.590 ( 0.000 1.867 3.616) 4.070 6.737 ( 0.000 -6.467 3.165) 7.200 6.737 ( 0.000 6.467 3.165) 7.200 7.181 ( 0.000 -11.862 1.291) 11.932 7.181 ( 0.000 11.862 1.291) 11.932 7.303 ( 0.000 -13.253 -2.307) 13.452 7.303 ( 0.000 13.253 -2.307) 13.452 7.466 ( 0.000 -1.557 -6.454) 6.639 7.466 ( 0.000 1.557 -6.454) 6.639 7.874 ( 0.000 -8.612 3.730) 9.385 7.874 ( 0.000 8.612 3.730) 9.385 7.948 ( 0.000 -9.902 -2.802) 10.291 7.948 ( 0.000 9.902 -2.802) 10.291 8.385 ( 0.000 -0.542 0.808) 0.973 8.385 ( 0.000 0.542 0.808) 0.973 8.577 ( 0.000 -4.492 3.464) 5.672 8.577 ( 0.000 4.492 3.464) 5.672 8.807 ( 0.000 -7.898 -1.530) 8.045 8.807 ( 0.000 7.898 -1.530) 8.045 9.865 ( 0.000 -0.246 -0.649) 0.694 9.865 ( 0.000 0.246 -0.649) 0.694 9.892 ( 0.000 -2.229 -0.473) 2.279 9.892 ( 0.000 2.230 -0.473) 2.279 10.268 ( 0.000 -2.735 -1.697) 3.219 10.268 ( 0.000 2.735 -1.697) 3.219 10.599 ( 0.000 -2.997 -2.368) 3.820 10.599 ( 0.000 2.997 -2.368) 3.820 10.727 ( 0.000 -0.500 3.518) 3.553 10.727 ( 0.000 0.500 3.518) 3.553 10.809 ( 0.000 -0.176 -1.542) 1.552 10.809 ( 0.000 0.176 -1.542) 1.552 11.083 ( 0.000 -2.252 -3.024) 3.770 11.083 ( 0.000 2.252 -3.024) 3.770 11.183 ( 0.000 -1.589 -3.323) 3.684 11.183 ( 0.000 1.589 -3.323) 3.684 11.210 ( 0.000 -2.787 4.548) 5.334 11.210 ( 0.000 2.787 4.548) 5.334 11.770 ( 0.000 -8.938 6.225) 10.892 11.770 ( 0.000 8.938 6.225) 10.892 11.975 ( 0.000 -9.863 1.912) 10.046 11.975 ( 0.000 9.863 1.912) 10.046 12.244 ( 0.000 -0.457 -1.083) 1.175 12.244 ( 0.000 0.457 -1.083) 1.175 12.471 ( 0.000 -0.230 1.168) 1.191 12.471 ( 0.000 0.230 1.168) 1.191 12.779 ( 0.000 -3.145 13.781) 14.135 12.779 ( 0.000 3.145 13.780) 14.135 13.139 ( 0.000 -2.763 -1.411) 3.103 13.139 ( 0.000 2.763 -1.411) 3.103 13.543 ( 0.000 -10.003 -2.513) 10.314 13.543 ( 0.000 10.003 -2.513) 10.314 13.617 ( 0.000 -0.675 0.062) 0.678 13.617 ( 0.000 0.675 0.062) 0.678 13.869 ( 0.000 -3.364 -6.672) 7.472 13.869 ( 0.000 3.364 -6.672) 7.472 14.091 ( 0.000 -11.957 -3.737) 12.527 14.091 ( 0.000 11.957 -3.737) 12.527 14.256 ( 0.000 -2.082 -3.074) 3.713 14.256 ( 0.000 2.082 -3.074) 3.713 16.322 ( 0.000 -0.512 -1.591) 1.671 16.322 ( 0.000 0.512 -1.591) 1.671 16.465 ( 0.000 -3.779 -0.544) 3.818 16.465 ( 0.000 3.779 -0.544) 3.818 16.745 ( 0.000 -1.554 -2.555) 2.990 16.745 ( 0.000 1.554 -2.555) 2.990 17.131 ( 0.000 -1.376 6.249) 6.398 17.131 ( 0.000 1.376 6.249) 6.398 ======================= Grid point 127 (53/81) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.520 ( 2.195 -0.680 -0.878) 2.460 3.520 ( 2.195 0.680 -0.878) 2.460 3.635 ( 0.006 -1.902 -0.237) 1.916 3.635 ( 0.006 1.902 -0.237) 1.916 3.952 ( -2.620 -1.713 0.526) 3.174 3.952 ( -2.620 1.713 0.526) 3.174 3.984 ( -2.415 -1.777 0.099) 3.000 3.984 ( -2.415 1.777 0.099) 3.000 5.611 ( -0.166 -4.779 1.813) 5.114 5.611 ( -0.166 4.779 1.813) 5.114 5.681 ( -0.813 -4.726 2.189) 5.271 5.681 ( -0.813 4.726 2.189) 5.271 6.310 ( -0.840 -7.681 -0.097) 7.728 6.310 ( -0.840 7.681 -0.097) 7.728 6.442 ( -4.188 -5.354 -1.101) 6.886 6.442 ( -4.188 5.354 -1.101) 6.886 6.620 ( 7.453 -3.903 -1.361) 8.522 6.620 ( 7.453 3.903 -1.361) 8.522 6.816 ( 4.385 -4.032 -0.353) 5.967 6.816 ( 4.385 4.032 -0.353) 5.967 7.167 ( -1.773 -11.897 0.254) 12.031 7.167 ( -1.773 11.897 0.254) 12.031 7.262 ( -3.379 -8.563 -3.180) 9.740 7.262 ( -3.379 8.563 -3.180) 9.740 7.510 ( 4.045 -5.903 -2.828) 7.695 7.510 ( 4.045 5.904 -2.828) 7.695 7.839 ( -3.252 -6.183 3.773) 7.940 7.839 ( -3.252 6.183 3.773) 7.940 7.985 ( 3.351 -7.335 -2.607) 8.476 7.985 ( 3.351 7.336 -2.607) 8.476 8.327 ( -4.889 -0.246 0.378) 4.910 8.327 ( -4.889 0.246 0.378) 4.910 8.621 ( 3.503 -7.337 3.024) 8.674 8.621 ( 3.503 7.337 3.024) 8.674 8.796 ( -1.080 -8.136 -0.289) 8.213 8.796 ( -1.080 8.136 -0.289) 8.213 9.927 ( 5.602 -0.784 -1.537) 5.862 9.927 ( 5.602 0.784 -1.537) 5.862 10.001 ( 9.605 -1.860 0.182) 9.785 10.001 ( 9.605 1.860 0.182) 9.785 10.268 ( 0.367 -1.846 -3.247) 3.753 10.268 ( 0.367 1.846 -3.247) 3.753 10.547 ( -3.572 -2.773 0.502) 4.549 10.547 ( -3.572 2.773 0.502) 4.549 10.765 ( 2.117 -2.129 1.216) 3.239 10.765 ( 2.117 2.129 1.216) 3.239 10.822 ( -0.299 -1.452 -1.739) 2.285 10.822 ( -0.299 1.452 -1.739) 2.285 11.027 ( -6.745 -5.298 -0.378) 8.585 11.027 ( -6.745 5.298 -0.378) 8.585 11.041 ( -5.054 -4.929 -2.127) 7.373 11.041 ( -5.054 4.929 -2.127) 7.373 11.327 ( 6.465 -3.280 1.893) 7.493 11.327 ( 6.465 3.280 1.893) 7.493 11.790 ( -1.395 -8.198 8.023) 11.555 11.790 ( -1.395 8.198 8.023) 11.555 11.935 ( -0.596 -7.973 0.275) 8.000 11.935 ( -0.596 7.973 0.275) 8.000 12.230 ( -1.405 -1.721 -1.869) 2.903 12.230 ( -1.405 1.721 -1.869) 2.903 12.453 ( -1.236 -0.815 2.078) 2.552 12.453 ( -1.236 0.815 2.078) 2.552 12.707 ( -6.225 -3.602 11.268) 13.368 12.707 ( -6.225 3.602 11.268) 13.368 13.170 ( 2.538 -2.868 -0.982) 3.954 13.170 ( 2.538 2.868 -0.982) 3.954 13.438 ( -6.490 -5.317 -2.323) 8.705 13.438 ( -6.490 5.317 -2.323) 8.705 13.700 ( 4.856 -5.010 0.139) 6.979 13.700 ( 4.856 5.010 0.139) 6.979 13.891 ( 1.044 -1.987 -2.855) 3.632 13.891 ( 1.044 1.987 -2.855) 3.632 14.097 ( 0.985 -9.689 -5.637) 11.253 14.097 ( 0.985 9.689 -5.637) 11.253 14.243 ( -1.262 -2.470 -3.681) 4.609 14.243 ( -1.262 2.470 -3.681) 4.609 16.328 ( 0.517 -2.988 -1.779) 3.516 16.328 ( 0.517 2.988 -1.779) 3.516 16.429 ( -2.631 -5.273 -1.859) 6.179 16.429 ( -2.631 5.273 -1.859) 6.179 16.816 ( 5.710 -1.048 -0.586) 5.835 16.816 ( 5.710 1.048 -0.586) 5.835 17.111 ( -1.985 -1.849 5.701) 6.313 17.111 ( -1.985 1.849 5.701) 6.313 ======================= Grid point 129 (54/81) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.576 ( 2.927 -1.175 -0.996) 3.308 3.576 ( 2.927 1.175 -0.996) 3.308 3.624 ( -1.376 -1.983 -0.809) 2.546 3.624 ( -1.376 1.983 -0.809) 2.546 3.908 ( -0.807 -1.202 0.410) 1.505 3.908 ( -0.807 1.202 0.410) 1.505 3.928 ( -2.382 -1.670 0.043) 2.910 3.928 ( -2.382 1.670 0.043) 2.910 5.612 ( 0.777 -3.502 3.867) 5.274 5.612 ( 0.777 3.502 3.867) 5.274 5.648 ( -2.187 -3.830 3.515) 5.640 5.648 ( -2.187 3.830 3.515) 5.640 6.330 ( 1.904 -11.897 -0.059) 12.049 6.330 ( 1.904 11.897 -0.059) 12.049 6.371 ( -2.268 -10.434 -0.641) 10.697 6.371 ( -2.268 10.434 -0.641) 10.697 6.784 ( 6.989 -5.162 -4.697) 9.877 6.784 ( 6.989 5.162 -4.697) 9.877 6.870 ( -0.263 -1.534 -3.088) 3.458 6.870 ( -0.263 1.534 -3.088) 3.458 7.125 ( -0.376 -7.339 -1.849) 7.577 7.125 ( -0.376 7.339 -1.849) 7.577 7.181 ( -4.242 -3.092 -1.526) 5.467 7.181 ( -4.242 3.092 -1.526) 5.467 7.619 ( 6.057 -5.540 1.076) 8.278 7.619 ( 6.057 5.540 1.076) 8.278 7.744 ( -5.637 -4.420 3.051) 7.786 7.744 ( -5.637 4.420 3.051) 7.786 8.080 ( 5.642 -4.361 -1.802) 7.355 8.080 ( 5.642 4.361 -1.802) 7.355 8.207 ( -6.275 -2.099 -0.684) 6.652 8.207 ( -6.275 2.099 -0.684) 6.652 8.698 ( 3.578 -8.660 2.506) 9.699 8.698 ( 3.578 8.660 2.506) 9.699 8.761 ( -2.401 -8.516 1.540) 8.981 8.761 ( -2.401 8.516 1.540) 8.981 10.067 ( 6.821 -1.528 -3.290) 7.726 10.067 ( 6.821 1.528 -3.290) 7.726 10.155 ( 0.285 -0.430 -1.817) 1.889 10.155 ( 0.285 0.430 -1.817) 1.889 10.357 ( 10.734 -0.912 -2.146) 10.984 10.357 ( 10.734 0.913 -2.146) 10.984 10.502 ( -0.874 -1.190 2.161) 2.617 10.502 ( -0.874 1.190 2.161) 2.617 10.705 ( -6.906 -2.964 0.877) 7.566 10.705 ( -6.906 2.964 0.877) 7.566 10.731 ( -7.536 -1.397 0.358) 7.673 10.731 ( -7.536 1.397 0.358) 7.673 10.961 ( 0.612 -2.725 -1.836) 3.342 10.961 ( 0.612 2.725 -1.836) 3.342 10.982 ( -0.760 -2.108 -3.065) 3.797 10.982 ( -0.760 2.108 -3.065) 3.797 11.480 ( 8.257 -6.966 3.937) 11.498 11.480 ( 8.257 6.966 3.937) 11.498 11.659 ( -8.654 -7.194 4.862) 12.259 11.659 ( -8.654 7.194 4.862) 12.259 12.021 ( 6.761 -5.598 1.884) 8.977 12.021 ( 6.761 5.598 1.884) 8.978 12.161 ( -5.664 -4.189 -0.728) 7.082 12.161 ( -5.664 4.189 -0.728) 7.082 12.459 ( 2.574 -1.726 3.735) 4.853 12.459 ( 2.574 1.726 3.735) 4.853 12.561 ( -6.817 -3.570 6.779) 10.255 12.561 ( -6.817 3.570 6.779) 10.255 13.232 ( 3.379 -3.730 -1.316) 5.202 13.232 ( 3.379 3.730 -1.316) 5.202 13.316 ( -4.948 -4.584 -2.048) 7.049 13.316 ( -4.948 4.584 -2.048) 7.049 13.798 ( 4.471 -6.759 1.241) 8.199 13.798 ( 4.471 6.759 1.241) 8.199 13.875 ( -2.619 -5.605 1.220) 6.306 13.875 ( -2.619 5.605 1.220) 6.306 14.142 ( 3.025 -4.851 -6.952) 9.001 14.142 ( 3.025 4.851 -6.952) 9.001 14.203 ( -2.536 -3.309 -5.301) 6.744 14.203 ( -2.536 3.309 -5.301) 6.744 16.345 ( 1.235 -5.215 -2.301) 5.832 16.345 ( 1.234 5.216 -2.301) 5.833 16.379 ( -2.012 -6.100 -2.626) 6.939 16.379 ( -2.012 6.100 -2.626) 6.939 16.942 ( 5.897 -1.423 2.072) 6.410 16.942 ( 5.897 1.423 2.072) 6.410 17.048 ( -4.116 -2.074 4.217) 6.247 17.048 ( -4.116 2.074 4.217) 6.247 ======================= Grid point 170 (55/81) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.000 0.000 -34.341) 34.341 1.802 ( 0.000 0.000 34.341) 34.341 1.838 ( 0.000 0.000 -37.923) 37.923 1.838 ( 0.000 0.000 37.923) 37.923 3.056 ( 0.000 0.000 -45.121) 45.121 3.056 ( 0.000 0.000 45.121) 45.121 3.166 ( 0.000 0.000 -2.398) 2.398 3.166 ( 0.000 0.000 2.398) 2.398 3.578 ( 0.000 0.000 -7.043) 7.043 3.578 ( 0.000 0.000 7.043) 7.043 3.645 ( 0.000 0.000 -1.324) 1.324 3.645 ( 0.000 0.000 1.324) 1.324 3.959 ( 0.000 0.000 -6.657) 6.657 3.959 ( 0.000 0.000 6.657) 6.657 4.101 ( 0.000 0.000 -8.871) 8.871 4.101 ( 0.000 0.000 8.871) 8.871 4.610 ( 0.000 0.000 -5.814) 5.814 4.610 ( 0.000 0.000 5.814) 5.814 4.984 ( 0.000 0.000 -13.841) 13.841 4.984 ( 0.000 0.000 13.841) 13.841 5.278 ( 0.000 0.000 -4.167) 4.167 5.278 ( 0.000 0.000 4.167) 4.167 5.629 ( 0.000 0.000 -6.388) 6.388 5.629 ( 0.000 0.000 6.388) 6.388 6.088 ( 0.000 0.000 -0.032) 0.032 6.088 ( 0.000 0.000 0.032) 0.032 6.592 ( 0.000 0.000 -9.170) 9.170 6.592 ( 0.000 0.000 9.170) 9.170 7.347 ( 0.000 0.000 -0.473) 0.473 7.347 ( 0.000 0.000 0.473) 0.473 8.047 ( 0.000 0.000 -1.395) 1.395 8.047 ( 0.000 0.000 1.395) 1.395 8.236 ( 0.000 0.000 -14.087) 14.087 8.236 ( 0.000 0.000 14.087) 14.087 8.746 ( 0.000 0.000 -7.799) 7.799 8.746 ( 0.000 0.000 7.799) 7.799 8.791 ( 0.000 0.000 -5.990) 5.990 8.791 ( 0.000 0.000 5.990) 5.990 8.948 ( 0.000 0.000 -8.384) 8.384 8.948 ( 0.000 0.000 8.384) 8.384 9.172 ( 0.000 0.000 -7.012) 7.012 9.172 ( 0.000 0.000 7.012) 7.012 9.477 ( 0.000 0.000 -3.935) 3.935 9.477 ( 0.000 0.000 3.935) 3.935 10.145 ( 0.000 0.000 -2.094) 2.094 10.145 ( 0.000 0.000 2.094) 2.094 10.450 ( 0.000 0.000 -4.088) 4.088 10.450 ( 0.000 0.000 4.088) 4.088 10.504 ( 0.000 0.000 -0.790) 0.790 10.504 ( 0.000 0.000 0.790) 0.790 10.671 ( 0.000 0.000 -13.766) 13.766 10.671 ( 0.000 0.000 13.766) 13.766 10.883 ( 0.000 0.000 -2.954) 2.954 10.883 ( 0.000 0.000 2.954) 2.954 11.009 ( 0.000 0.000 -16.880) 16.880 11.009 ( 0.000 0.000 16.880) 16.880 11.376 ( 0.000 0.000 -9.311) 9.311 11.376 ( 0.000 0.000 9.311) 9.311 11.503 ( 0.000 0.000 -0.271) 0.271 11.503 ( 0.000 0.000 0.271) 0.271 11.960 ( 0.000 0.000 -1.119) 1.119 11.960 ( 0.000 0.000 1.119) 1.119 12.138 ( 0.000 0.000 -1.091) 1.091 12.138 ( 0.000 0.000 1.091) 1.091 12.602 ( 0.000 0.000 -9.386) 9.386 12.602 ( 0.000 0.000 9.386) 9.386 13.096 ( 0.000 0.000 -6.133) 6.133 13.096 ( 0.000 0.000 6.133) 6.133 13.382 ( 0.000 0.000 -1.858) 1.858 13.382 ( 0.000 0.000 1.858) 1.858 14.229 ( 0.000 0.000 -0.906) 0.906 14.229 ( 0.000 0.000 0.906) 0.906 15.861 ( 0.000 0.000 -1.842) 1.842 15.861 ( 0.000 0.000 1.842) 1.842 16.622 ( 0.000 0.000 -9.595) 9.595 16.622 ( 0.000 0.000 9.595) 9.595 17.383 ( 0.000 0.000 -1.779) 1.779 17.383 ( 0.000 0.000 1.779) 1.779 18.157 ( 0.000 0.000 -10.129) 10.129 18.157 ( 0.000 0.000 10.129) 10.129 18.633 ( 0.000 0.000 -2.618) 2.618 18.633 ( 0.000 0.000 2.618) 2.618 19.325 ( 0.000 0.000 -10.592) 10.592 19.325 ( 0.000 0.000 10.592) 10.592 ======================= Grid point 172 (56/81) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 14.235 0.000 -29.985) 33.192 1.959 ( 14.235 0.000 29.985) 33.192 1.979 ( 13.124 0.000 -32.354) 34.915 1.979 ( 13.124 0.000 32.354) 34.915 3.063 ( -10.138 0.000 -3.101) 10.601 3.063 ( -10.138 0.000 3.101) 10.601 3.223 ( -5.429 0.000 -5.771) 7.923 3.223 ( -5.429 0.000 5.771) 7.923 3.447 ( 12.545 0.000 -46.965) 48.611 3.447 ( 12.545 0.000 46.965) 48.611 3.621 ( -1.686 0.000 -0.993) 1.956 3.621 ( -1.686 0.000 0.993) 1.956 4.060 ( -2.822 0.000 -5.756) 6.411 4.060 ( -2.822 0.000 5.756) 6.411 4.208 ( 17.760 0.000 -8.935) 19.881 4.208 ( 17.760 0.000 8.935) 19.881 4.683 ( 5.540 0.000 -4.153) 6.923 4.683 ( 5.540 0.000 4.153) 6.923 4.968 ( -2.067 0.000 -10.762) 10.958 4.968 ( -2.067 0.000 10.762) 10.958 5.263 ( -1.295 0.000 -3.631) 3.855 5.263 ( -1.295 0.000 3.631) 3.855 5.546 ( -5.346 0.000 -2.945) 6.103 5.546 ( -5.346 0.000 2.945) 6.103 6.080 ( -4.330 0.000 -12.936) 13.641 6.080 ( -4.330 0.000 12.936) 13.641 6.351 ( -19.807 0.000 -8.702) 21.634 6.351 ( -19.807 0.000 8.702) 21.634 7.463 ( 8.590 0.000 -5.771) 10.349 7.463 ( 8.590 0.000 5.771) 10.349 7.883 ( -9.622 0.000 -5.751) 11.210 7.883 ( -9.622 0.000 5.751) 11.210 8.223 ( -2.012 0.000 -4.196) 4.654 8.223 ( -2.012 0.000 4.196) 4.654 8.596 ( -12.052 0.000 -1.396) 12.132 8.596 ( -12.052 0.000 1.396) 12.132 8.805 ( 1.350 0.000 -5.845) 5.999 8.805 ( 1.350 0.000 5.845) 5.999 9.078 ( -6.453 0.000 -5.613) 8.552 9.078 ( -6.453 0.000 5.613) 8.552 9.134 ( 14.726 0.000 -20.115) 24.929 9.134 ( 14.726 0.000 20.115) 24.929 9.604 ( 9.402 0.000 -2.099) 9.633 9.604 ( 9.402 0.000 2.099) 9.633 10.101 ( -9.446 0.000 -11.187) 14.641 10.101 ( -9.446 0.000 11.187) 14.641 10.434 ( -6.024 0.000 -0.647) 6.059 10.434 ( -6.024 0.000 0.647) 6.059 10.442 ( 4.070 0.000 -7.718) 8.725 10.442 ( 4.070 0.000 7.718) 8.725 10.693 ( 2.650 0.000 -8.079) 8.503 10.693 ( 2.650 0.000 8.079) 8.503 10.908 ( 1.877 0.000 -2.203) 2.894 10.908 ( 1.877 0.000 2.203) 2.894 11.137 ( 8.653 0.000 -10.799) 13.838 11.137 ( 8.653 0.000 10.799) 13.838 11.502 ( -0.039 0.000 -0.211) 0.215 11.502 ( -0.039 0.000 0.211) 0.215 11.527 ( 14.004 0.000 -8.351) 16.305 11.527 ( 14.004 0.000 8.351) 16.305 11.962 ( 0.149 0.000 -0.918) 0.930 11.962 ( 0.149 0.000 0.918) 0.930 12.137 ( -0.078 0.000 -0.895) 0.898 12.137 ( -0.078 0.000 0.895) 0.898 12.552 ( -5.672 0.000 -10.482) 11.918 12.552 ( -5.672 0.000 10.482) 11.918 13.064 ( -3.286 0.000 -10.354) 10.863 13.064 ( -3.286 0.000 10.354) 10.863 13.329 ( -3.278 0.000 -7.065) 7.789 13.329 ( -3.278 0.000 7.065) 7.789 14.300 ( 5.560 0.000 -0.546) 5.586 14.300 ( 5.560 0.000 0.546) 5.586 15.864 ( 0.266 0.000 -3.070) 3.081 15.864 ( 0.266 0.000 3.070) 3.081 16.393 ( -15.855 0.000 -6.123) 16.996 16.393 ( -15.855 0.000 6.123) 16.996 17.610 ( 15.038 0.000 -4.262) 15.630 17.610 ( 15.038 0.000 4.262) 15.630 18.186 ( 4.268 0.000 -11.204) 11.990 18.186 ( 4.268 0.000 11.204) 11.990 18.602 ( -2.588 0.000 -2.771) 3.792 18.602 ( -2.588 0.000 2.771) 3.792 19.172 ( -13.236 0.000 -4.421) 13.955 19.172 ( -13.236 0.000 4.421) 13.955 ======================= Grid point 174 (57/81) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 20.519 0.000 -21.027) 29.379 2.335 ( 20.519 0.000 21.027) 29.379 2.345 ( 20.954 0.000 -22.300) 30.600 2.345 ( 20.954 0.000 22.300) 30.600 2.756 ( -18.652 0.000 -11.657) 21.995 2.756 ( -18.652 0.000 11.657) 21.995 2.825 ( -22.819 0.000 -12.764) 26.147 2.825 ( -22.819 0.000 12.764) 26.147 3.596 ( -0.611 0.000 -0.159) 0.632 3.596 ( -0.611 0.000 0.159) 0.632 4.017 ( -1.071 0.000 -1.684) 1.996 4.017 ( -1.071 0.000 1.684) 1.996 4.052 ( 31.328 0.000 -31.630) 44.519 4.052 ( 31.328 0.000 31.630) 44.519 4.516 ( 5.206 0.000 -8.457) 9.931 4.516 ( 5.206 0.000 8.457) 9.931 4.782 ( 2.991 0.000 -1.593) 3.389 4.782 ( 2.991 0.000 1.593) 3.389 4.880 ( -4.738 0.000 -7.094) 8.530 4.880 ( -4.738 0.000 7.094) 8.530 5.235 ( -1.013 0.000 -1.627) 1.916 5.235 ( -1.013 0.000 1.627) 1.916 5.445 ( -5.440 0.000 -5.509) 7.742 5.445 ( -5.440 0.000 5.509) 7.742 5.794 ( -14.492 0.000 -7.134) 16.153 5.794 ( -14.492 0.000 7.134) 16.153 6.056 ( -6.948 0.000 -4.223) 8.130 6.056 ( -6.948 0.000 4.223) 8.130 7.634 ( 7.381 0.000 -4.297) 8.540 7.634 ( 7.381 0.000 4.297) 8.540 7.759 ( -3.960 0.000 -4.643) 6.102 7.759 ( -3.960 0.000 4.643) 6.102 8.175 ( -1.389 0.000 -3.746) 3.995 8.175 ( -1.389 0.000 3.746) 3.995 8.362 ( -8.027 0.000 -2.251) 8.336 8.362 ( -8.027 0.000 2.251) 8.336 8.846 ( 2.268 0.000 -4.584) 5.114 8.846 ( 2.268 0.000 4.584) 5.114 8.959 ( -4.307 0.000 -4.362) 6.130 8.959 ( -4.307 0.000 4.362) 6.130 9.458 ( 14.875 0.000 -20.935) 25.682 9.458 ( 14.875 0.000 20.935) 25.682 9.785 ( 6.314 0.000 -0.725) 6.355 9.785 ( 6.314 0.000 0.725) 6.355 9.830 ( -13.886 0.000 -19.192) 23.688 9.830 ( -13.886 0.000 19.192) 23.688 10.301 ( -5.070 0.000 -0.360) 5.083 10.301 ( -5.070 0.000 0.360) 5.083 10.549 ( 4.155 0.000 -9.047) 9.956 10.549 ( 4.155 0.000 9.047) 9.956 10.708 ( -1.307 0.000 -7.749) 7.859 10.708 ( -1.307 0.000 7.749) 7.859 10.940 ( 0.891 0.000 -0.782) 1.185 10.940 ( 0.891 0.000 0.782) 1.185 11.352 ( 9.455 0.000 -1.918) 9.647 11.352 ( 9.455 0.000 1.918) 9.647 11.502 ( -0.025 0.000 -0.076) 0.080 11.502 ( -0.025 0.000 0.076) 0.080 11.800 ( 7.937 0.000 -3.580) 8.707 11.800 ( 7.937 0.000 3.580) 8.707 11.965 ( 0.093 0.000 -0.359) 0.371 11.965 ( 0.093 0.000 0.359) 0.371 12.136 ( -0.049 0.000 -0.350) 0.353 12.136 ( -0.049 0.000 0.350) 0.353 12.408 ( -5.166 0.000 -5.641) 7.649 12.408 ( -5.166 0.000 5.641) 7.649 12.954 ( -5.403 0.000 -4.887) 7.285 12.954 ( -5.403 0.000 4.887) 7.285 13.308 ( 0.530 0.000 -3.730) 3.768 13.308 ( 0.530 0.000 3.730) 3.768 14.401 ( 3.052 0.000 -0.419) 3.080 14.401 ( 3.052 0.000 0.419) 3.080 15.875 ( 0.850 0.000 -3.600) 3.699 15.875 ( 0.850 0.000 3.600) 3.699 16.121 ( -8.319 0.000 -3.646) 9.083 16.121 ( -8.319 0.000 3.646) 9.083 17.822 ( 4.566 0.000 -2.910) 5.414 17.822 ( 4.566 0.000 2.910) 5.414 18.373 ( 10.536 0.000 -12.359) 16.241 18.373 ( 10.536 0.000 12.359) 16.241 18.572 ( 2.474 0.000 -7.543) 7.938 18.572 ( 2.474 0.000 7.543) 7.938 18.845 ( -16.643 0.000 -3.346) 16.976 18.845 ( -16.643 0.000 3.346) 16.976 ======================= Grid point 180 (58/81) ======================= q-point: ( 0.00 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.000 12.901 -31.318) 33.871 1.971 ( 0.000 12.901 31.318) 33.871 2.079 ( 0.000 23.067 -29.411) 37.378 2.079 ( 0.000 23.067 29.411) 37.378 3.212 ( 0.000 15.948 -25.717) 30.260 3.212 ( 0.000 15.948 25.717) 30.260 3.314 ( 0.000 12.539 -2.539) 12.794 3.314 ( 0.000 12.539 2.539) 12.794 3.585 ( 0.000 4.425 -8.676) 9.739 3.585 ( 0.000 4.425 8.676) 9.739 3.915 ( 0.000 9.722 -4.030) 10.524 3.915 ( 0.000 9.722 4.030) 10.524 4.042 ( 0.000 23.417 -7.436) 24.569 4.042 ( 0.000 23.417 7.436) 24.569 4.383 ( 0.000 26.550 -5.094) 27.034 4.383 ( 0.000 26.550 5.094) 27.034 4.828 ( 0.000 16.787 -7.041) 18.204 4.828 ( 0.000 16.787 7.041) 18.204 5.045 ( 0.000 10.149 -11.176) 15.097 5.045 ( 0.000 10.149 11.176) 15.097 5.565 ( 0.000 26.534 -3.366) 26.747 5.565 ( 0.000 26.534 3.366) 26.747 5.661 ( 0.000 5.155 -5.217) 7.334 5.661 ( 0.000 5.155 5.217) 7.334 6.061 ( 0.000 -1.518 -3.945) 4.227 6.061 ( 0.000 -1.518 3.945) 4.227 6.641 ( 0.000 5.273 -8.233) 9.777 6.641 ( 0.000 5.273 8.233) 9.777 7.342 ( 0.000 0.631 -1.977) 2.076 7.342 ( 0.000 0.631 1.977) 2.076 8.048 ( 0.000 0.394 -0.710) 0.812 8.048 ( 0.000 0.394 0.710) 0.812 8.195 ( 0.000 -3.504 -12.031) 12.531 8.195 ( 0.000 -3.504 12.031) 12.531 8.548 ( 0.000 -7.650 -1.230) 7.748 8.548 ( 0.000 -7.650 1.230) 7.748 8.822 ( 0.000 -5.776 -16.066) 17.073 8.822 ( 0.000 -5.776 16.066) 17.073 9.190 ( 0.000 17.647 -3.703) 18.032 9.190 ( 0.000 17.647 3.703) 18.032 9.306 ( 0.000 11.298 -6.414) 12.992 9.306 ( 0.000 11.298 6.414) 12.992 9.680 ( 0.000 17.739 -2.405) 17.901 9.680 ( 0.000 17.739 2.405) 17.901 10.158 ( 0.000 1.877 -2.786) 3.359 10.158 ( 0.000 1.877 2.786) 3.359 10.444 ( 0.000 2.082 -1.269) 2.438 10.444 ( 0.000 2.082 1.269) 2.438 10.552 ( 0.000 0.595 -6.672) 6.699 10.552 ( 0.000 0.595 6.672) 6.699 10.713 ( 0.000 2.956 -9.759) 10.197 10.713 ( 0.000 2.956 9.759) 10.197 10.971 ( 0.000 9.339 -2.564) 9.685 10.971 ( 0.000 9.339 2.564) 9.685 11.000 ( 0.000 0.298 -16.275) 16.278 11.000 ( 0.000 0.298 16.275) 16.278 11.416 ( 0.000 3.346 -7.140) 7.885 11.416 ( 0.000 3.346 7.140) 7.885 11.539 ( 0.000 4.448 -3.633) 5.743 11.539 ( 0.000 4.448 3.633) 5.743 11.901 ( 0.000 -6.080 -0.657) 6.115 11.901 ( 0.000 -6.080 0.657) 6.115 12.164 ( 0.000 2.716 -1.390) 3.051 12.164 ( 0.000 2.716 1.390) 3.051 12.620 ( 0.000 1.831 -9.045) 9.229 12.620 ( 0.000 1.831 9.045) 9.229 13.105 ( 0.000 0.582 -6.230) 6.257 13.105 ( 0.000 0.582 6.230) 6.257 13.352 ( 0.000 -2.938 -2.580) 3.910 13.352 ( 0.000 -2.938 2.580) 3.910 14.233 ( 0.000 0.067 -0.204) 0.215 14.233 ( 0.000 0.067 0.204) 0.215 15.796 ( 0.000 -6.630 -2.274) 7.009 15.796 ( 0.000 -6.630 2.274) 7.009 16.515 ( 0.000 -10.785 -8.720) 13.869 16.515 ( 0.000 -10.785 8.720) 13.869 17.338 ( 0.000 -4.346 -2.136) 4.843 17.338 ( 0.000 -4.346 2.136) 4.843 18.094 ( 0.000 -6.231 -10.199) 11.952 18.094 ( 0.000 -6.231 10.199) 11.952 18.554 ( 0.000 -7.902 -2.403) 8.259 18.554 ( 0.000 -7.902 2.403) 8.259 19.188 ( 0.000 -12.372 -7.916) 14.688 19.188 ( 0.000 -12.372 7.916) 14.688 ======================= Grid point 182 (59/81) ======================= q-point: ( 0.20 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 11.233 11.747 -29.332) 33.534 2.090 ( 11.233 11.747 29.332) 33.534 2.237 ( 14.072 22.767 -27.677) 38.502 2.237 ( 14.072 22.767 27.677) 38.502 3.201 ( -10.884 7.598 -1.824) 13.399 3.201 ( -10.884 7.598 1.824) 13.399 3.287 ( -6.625 11.540 -2.672) 13.573 3.287 ( -6.625 11.540 2.672) 13.573 3.523 ( 8.983 11.091 -30.591) 33.757 3.523 ( 8.983 11.091 30.591) 33.757 3.945 ( 1.857 25.727 -2.896) 25.956 3.945 ( 1.857 25.727 2.896) 25.956 4.224 ( 13.961 5.713 -8.930) 17.530 4.224 ( 13.961 5.713 8.930) 17.530 4.357 ( 0.529 27.361 -5.206) 27.857 4.357 ( 0.529 27.361 5.206) 27.857 4.895 ( 4.221 14.097 -5.402) 15.675 4.895 ( 4.221 14.097 5.402) 15.675 5.048 ( 0.375 14.075 -8.897) 16.655 5.048 ( 0.375 14.075 8.897) 16.655 5.545 ( -1.820 24.959 -3.103) 25.217 5.545 ( -1.820 24.959 3.103) 25.217 5.603 ( -3.780 8.197 -2.327) 9.322 5.603 ( -3.780 8.197 2.327) 9.322 6.049 ( -3.452 -1.900 -10.566) 11.277 6.049 ( -3.452 -1.900 10.566) 11.277 6.408 ( -19.760 6.486 -8.151) 22.338 6.408 ( -19.760 6.486 8.151) 22.338 7.448 ( 7.962 -0.507 -6.452) 10.261 7.448 ( 7.962 -0.507 6.452) 10.261 7.872 ( -10.304 -0.884 -5.561) 11.742 7.872 ( -10.304 -0.884 5.561) 11.742 8.194 ( -1.397 -1.775 -3.297) 3.996 8.194 ( -1.397 -1.775 3.297) 3.996 8.477 ( -7.280 -6.328 -2.263) 9.908 8.477 ( -7.280 -6.328 2.263) 9.908 8.927 ( 6.455 -1.111 -7.931) 10.286 8.927 ( 6.455 -1.111 7.931) 10.286 9.188 ( 0.996 12.034 -6.916) 13.915 9.188 ( 0.996 12.034 6.916) 13.915 9.293 ( 0.423 16.143 -4.879) 16.869 9.293 ( 0.423 16.143 4.879) 16.869 9.738 ( 6.086 11.854 -1.649) 13.427 9.738 ( 6.086 11.854 1.649) 13.427 10.118 ( -10.445 2.573 -12.392) 16.410 10.118 ( -10.445 2.573 12.392) 16.410 10.383 ( 0.873 0.260 -4.161) 4.260 10.383 ( 0.873 0.260 4.161) 4.260 10.552 ( -1.281 3.742 -1.430) 4.206 10.552 ( -1.281 3.742 1.430) 4.206 10.723 ( 1.772 2.980 -6.540) 7.402 10.723 ( 1.772 2.980 6.540) 7.402 10.964 ( 1.068 4.957 -2.874) 5.829 10.964 ( 1.068 4.957 2.874) 5.829 11.159 ( 10.352 4.036 -8.330) 13.887 11.159 ( 10.352 4.036 8.330) 13.887 11.471 ( 3.032 -1.189 -1.937) 3.790 11.471 ( 3.032 -1.189 1.937) 3.790 11.604 ( 8.006 5.842 -7.127) 12.207 11.604 ( 8.006 5.842 7.127) 12.207 11.911 ( 0.737 -5.216 -0.654) 5.309 11.911 ( 0.737 -5.216 0.654) 5.309 12.161 ( -0.126 2.503 -0.969) 2.687 12.161 ( -0.126 2.503 0.969) 2.687 12.590 ( -3.997 3.590 -9.889) 11.254 12.590 ( -3.997 3.590 9.889) 11.254 13.053 ( -4.436 -1.111 -10.300) 11.269 13.053 ( -4.436 -1.111 10.300) 11.269 13.310 ( -2.827 -1.985 -7.380) 8.148 13.310 ( -2.827 -1.985 7.380) 8.148 14.292 ( 4.804 -0.883 -0.897) 4.966 14.292 ( 4.804 -0.883 0.897) 4.966 15.794 ( -0.193 -7.118 -3.418) 7.898 15.794 ( -0.193 -7.118 3.418) 7.898 16.306 ( -14.832 -8.887 -6.083) 18.330 16.306 ( -14.832 -8.887 6.083) 18.330 17.546 ( 14.073 -6.286 -4.166) 15.966 17.546 ( 14.073 -6.286 4.166) 15.966 18.129 ( 4.702 -5.575 -10.798) 13.030 18.129 ( 4.702 -5.575 10.798) 13.030 18.522 ( -2.642 -7.923 -2.100) 8.612 18.522 ( -2.642 -7.923 2.100) 8.612 19.055 ( -11.825 -10.804 -3.372) 16.369 19.055 ( -11.825 -10.804 3.372) 16.369 ======================= Grid point 184 (60/81) ======================= q-point: ( 0.40 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 18.125 8.108 -18.842) 27.372 2.409 ( 18.125 8.108 18.842) 27.372 2.596 ( 18.643 21.315 -17.624) 33.354 2.596 ( 18.643 21.315 17.624) 33.354 2.863 ( -18.668 6.267 -10.867) 22.491 2.863 ( -18.668 6.267 10.867) 22.491 3.000 ( -17.239 20.210 -8.891) 28.012 3.000 ( -17.239 20.210 8.891) 28.012 3.722 ( 3.093 11.282 -5.002) 12.723 3.722 ( 3.093 11.282 5.002) 12.723 4.112 ( 8.962 12.569 -3.341) 15.795 4.112 ( 8.962 12.569 3.341) 15.795 4.375 ( 10.400 24.653 -12.066) 29.352 4.375 ( 10.400 24.653 12.066) 29.352 4.571 ( 8.333 9.090 -7.404) 14.383 4.571 ( 8.333 9.090 7.404) 14.383 4.912 ( -1.754 7.146 -3.592) 8.188 4.912 ( -1.754 7.146 3.592) 8.188 5.074 ( 1.179 24.940 -4.797) 25.425 5.074 ( 1.179 24.940 4.797) 25.425 5.501 ( -2.371 16.468 -4.590) 17.259 5.501 ( -2.371 16.468 4.590) 17.259 5.530 ( -3.658 16.880 -2.450) 17.445 5.530 ( -3.658 16.880 2.450) 17.445 5.856 ( -11.349 7.002 -8.049) 15.576 5.856 ( -11.349 7.002 8.049) 15.576 6.048 ( -9.205 1.342 -4.144) 10.184 6.048 ( -9.205 1.342 4.144) 10.184 7.611 ( 7.164 -1.818 -4.515) 8.661 7.611 ( 7.164 -1.818 4.515) 8.661 7.730 ( -4.608 -2.089 -4.614) 6.847 7.730 ( -4.608 -2.089 4.614) 6.847 8.161 ( -0.772 -0.837 -4.128) 4.283 8.161 ( -0.772 -0.837 4.128) 4.283 8.307 ( -6.664 -3.260 -3.358) 8.143 8.307 ( -6.664 -3.260 3.358) 8.143 9.003 ( 1.581 9.065 -0.729) 9.230 9.003 ( 1.581 9.065 0.729) 9.230 9.160 ( -2.102 14.898 -2.071) 15.188 9.160 ( -2.102 14.898 2.071) 15.188 9.459 ( 12.059 3.914 -18.377) 22.326 9.459 ( 12.059 3.914 18.377) 22.326 9.831 ( -12.577 1.929 -16.799) 21.074 9.831 ( -12.577 1.929 16.799) 21.074 9.883 ( 4.429 8.321 -0.894) 9.469 9.883 ( 4.429 8.321 0.894) 9.469 10.339 ( -3.876 2.807 -0.309) 4.796 10.339 ( -3.876 2.807 0.309) 4.796 10.591 ( 3.678 3.767 -7.352) 9.042 10.591 ( 3.678 3.767 7.352) 9.042 10.718 ( -2.292 1.203 -7.881) 8.296 10.718 ( -2.292 1.203 7.881) 8.296 10.998 ( 1.380 5.450 -0.777) 5.676 10.998 ( 1.380 5.450 0.777) 5.676 11.395 ( 9.947 4.935 -1.435) 11.196 11.395 ( 9.947 4.935 1.435) 11.196 11.498 ( 0.194 -0.452 -0.565) 0.750 11.498 ( 0.194 -0.452 0.565) 0.750 11.784 ( 4.993 -0.895 -4.450) 6.748 11.784 ( 4.993 -0.895 4.450) 6.748 11.922 ( 0.332 -4.283 -0.197) 4.300 11.922 ( 0.332 -4.283 0.197) 4.300 12.169 ( 0.889 3.032 -0.357) 3.180 12.169 ( 0.889 3.032 0.357) 3.180 12.469 ( -5.034 5.872 -5.150) 9.292 12.469 ( -5.034 5.872 5.150) 9.292 12.947 ( -4.431 -0.899 -5.016) 6.753 12.947 ( -4.431 -0.899 5.016) 6.753 13.282 ( -0.035 -2.571 -4.055) 4.801 13.282 ( -0.035 -2.571 4.055) 4.801 14.383 ( 2.817 -1.811 -0.767) 3.436 14.383 ( 2.817 -1.811 0.767) 3.436 15.792 ( 0.097 -8.418 -3.517) 9.124 15.792 ( 0.097 -8.418 3.517) 9.124 16.053 ( -7.470 -6.898 -3.615) 10.792 16.053 ( -7.470 -6.898 3.615) 10.792 17.750 ( 4.556 -7.238 -2.746) 8.983 17.750 ( 4.556 -7.238 2.746) 8.983 18.321 ( 10.834 -5.078 -11.168) 16.367 18.321 ( 10.834 -5.078 11.168) 16.367 18.487 ( 1.941 -8.315 -6.877) 10.964 18.487 ( 1.941 -8.315 6.877) 10.964 18.751 ( -16.030 -8.890 -3.563) 18.674 18.751 ( -16.030 -8.890 3.563) 18.674 ======================= Grid point 190 (61/81) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.302 ( 0.000 19.474 -16.524) 25.540 2.302 ( 0.000 19.474 16.524) 25.540 2.562 ( 0.000 25.069 -19.268) 31.618 2.562 ( 0.000 25.069 19.268) 31.618 3.442 ( 0.000 4.359 -7.318) 8.518 3.442 ( 0.000 4.359 7.318) 8.518 3.696 ( 0.000 26.048 -8.120) 27.284 3.696 ( 0.000 26.048 8.120) 27.284 3.849 ( 0.000 20.497 -12.048) 23.775 3.849 ( 0.000 20.497 12.048) 23.775 3.984 ( 0.000 4.516 -4.125) 6.117 3.984 ( 0.000 4.516 4.125) 6.117 4.769 ( 0.000 31.623 -6.518) 32.288 4.769 ( 0.000 31.623 6.518) 32.288 5.014 ( 0.000 36.555 -5.727) 37.001 5.014 ( 0.000 36.555 5.727) 37.001 5.161 ( 0.000 26.052 -4.343) 26.412 5.161 ( 0.000 26.052 4.343) 26.412 5.379 ( 0.000 16.803 -6.044) 17.857 5.379 ( 0.000 16.803 6.044) 17.857 5.926 ( 0.000 19.088 -8.276) 20.805 5.926 ( 0.000 19.088 8.276) 20.805 6.045 ( 0.000 10.373 -12.225) 16.033 6.045 ( 0.000 10.373 12.225) 16.033 6.280 ( 0.000 37.877 -4.214) 38.111 6.280 ( 0.000 37.877 4.214) 38.111 6.831 ( 0.000 15.451 -4.327) 16.046 6.831 ( 0.000 15.451 4.327) 16.046 7.413 ( 0.000 7.419 -2.286) 7.763 7.413 ( 0.000 7.419 2.286) 7.763 8.071 ( 0.000 1.797 -2.047) 2.724 8.071 ( 0.000 1.797 2.047) 2.724 8.113 ( 0.000 -4.357 -6.656) 7.955 8.113 ( 0.000 -4.357 6.656) 7.955 8.430 ( 0.000 -4.417 -2.159) 4.916 8.430 ( 0.000 -4.417 2.159) 4.916 8.731 ( 0.000 -2.411 -13.096) 13.316 8.731 ( 0.000 -2.411 13.096) 13.316 9.387 ( 0.000 1.946 -4.152) 4.585 9.387 ( 0.000 1.946 4.152) 4.585 9.538 ( 0.000 11.038 -2.003) 11.219 9.538 ( 0.000 11.038 2.003) 11.219 10.054 ( 0.000 17.439 -4.271) 17.955 10.054 ( 0.000 17.439 4.271) 17.955 10.214 ( 0.000 2.032 -6.390) 6.705 10.214 ( 0.000 2.032 6.390) 6.705 10.507 ( 0.000 4.064 -3.355) 5.270 10.507 ( 0.000 4.064 3.355) 5.270 10.587 ( 0.000 4.613 -0.725) 4.670 10.587 ( 0.000 4.613 0.725) 4.670 10.748 ( 0.000 0.814 -12.894) 12.920 10.748 ( 0.000 0.814 12.894) 12.920 10.956 ( 0.000 -1.061 -4.068) 4.204 10.956 ( 0.000 -1.061 4.068) 4.204 11.252 ( 0.000 12.521 -2.818) 12.834 11.252 ( 0.000 12.521 2.818) 12.834 11.489 ( 0.000 5.199 -6.835) 8.588 11.489 ( 0.000 5.199 6.835) 8.588 11.710 ( 0.000 4.165 -5.388) 6.811 11.710 ( 0.000 4.165 5.388) 6.811 11.734 ( 0.000 -1.581 -2.216) 2.722 11.734 ( 0.000 -1.581 2.216) 2.722 12.247 ( 0.000 5.640 -3.022) 6.398 12.247 ( 0.000 5.640 3.022) 6.398 12.677 ( 0.000 4.123 -7.845) 8.862 12.677 ( 0.000 4.123 7.845) 8.862 13.105 ( 0.000 -0.892 -6.940) 6.997 13.105 ( 0.000 -0.892 6.940) 6.997 13.275 ( 0.000 -4.581 -4.687) 6.554 13.275 ( 0.000 -4.581 4.687) 6.554 14.215 ( 0.000 -2.370 -3.456) 4.191 14.215 ( 0.000 -2.370 3.456) 4.191 15.602 ( 0.000 -12.944 -3.087) 13.308 15.602 ( 0.000 -12.944 3.087) 13.308 16.206 ( 0.000 -20.232 -6.807) 21.346 16.206 ( 0.000 -20.232 6.807) 21.346 17.223 ( 0.000 -7.112 -2.939) 7.695 17.223 ( 0.000 -7.112 2.939) 7.695 17.926 ( 0.000 -10.398 -10.032) 14.449 17.926 ( 0.000 -10.398 10.032) 14.449 18.332 ( 0.000 -14.335 -1.411) 14.405 18.332 ( 0.000 -14.335 1.411) 14.405 18.908 ( 0.000 -14.865 -5.895) 15.991 18.908 ( 0.000 -14.865 5.895) 15.991 ======================= Grid point 192 (62/81) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 8.794 18.603 -19.963) 28.669 2.400 ( 8.794 18.603 19.963) 28.669 2.705 ( 13.246 23.320 -23.279) 35.514 2.705 ( 13.246 23.320 23.279) 35.514 3.297 ( -11.690 4.884 -2.380) 12.891 3.297 ( -11.690 4.884 2.380) 12.891 3.682 ( -4.753 24.076 -3.219) 24.751 3.682 ( -4.753 24.076 3.219) 24.751 3.881 ( 5.295 23.475 -13.538) 27.611 3.881 ( 5.295 23.475 13.538) 27.611 4.151 ( 12.199 1.683 -6.498) 13.923 4.151 ( 12.199 1.683 6.498) 13.923 4.673 ( -4.556 26.503 -8.287) 28.140 4.673 ( -4.556 26.503 8.287) 28.140 5.088 ( -1.720 37.291 -4.380) 37.587 5.088 ( -1.720 37.291 4.380) 37.587 5.152 ( 5.937 25.433 -6.743) 26.973 5.152 ( 5.937 25.433 6.743) 26.973 5.440 ( 4.686 16.946 -4.486) 18.145 5.440 ( 4.686 16.946 4.486) 18.145 5.906 ( -1.745 18.451 -7.503) 19.994 5.906 ( -1.745 18.451 7.503) 19.994 6.032 ( -1.694 15.863 -11.820) 19.855 6.032 ( -1.694 15.863 11.820) 19.855 6.251 ( -2.969 35.057 -4.862) 35.516 6.251 ( -2.969 35.057 4.862) 35.516 6.661 ( -14.495 21.242 -6.683) 26.570 6.661 ( -14.495 21.242 6.683) 26.570 7.480 ( 4.985 4.433 -4.640) 8.126 7.480 ( 4.985 4.433 4.640) 8.126 7.859 ( -10.672 -0.226 -5.076) 11.820 7.859 ( -10.672 -0.226 5.076) 11.820 8.183 ( 0.711 0.926 -2.123) 2.423 8.183 ( 0.711 0.926 2.123) 2.423 8.373 ( -5.040 -3.957 -4.324) 7.730 8.373 ( -5.040 -3.957 4.324) 7.730 8.856 ( 9.939 -3.599 -10.765) 15.088 8.856 ( 9.939 -3.599 10.765) 15.088 9.330 ( -3.575 1.103 -6.537) 7.532 9.330 ( -3.575 1.103 6.537) 7.532 9.613 ( 4.621 12.608 -1.579) 13.521 9.613 ( 4.621 12.608 1.579) 13.521 9.991 ( -0.762 11.138 -1.959) 11.335 9.991 ( -0.762 11.138 1.959) 11.335 10.238 ( -9.663 10.105 -12.939) 19.050 10.238 ( -9.663 10.105 12.939) 19.050 10.430 ( 2.433 3.984 -2.686) 5.386 10.430 ( 2.433 3.984 2.686) 5.386 10.584 ( -0.099 0.140 -1.381) 1.392 10.584 ( -0.099 0.140 1.381) 1.392 10.781 ( 1.549 3.287 -5.786) 6.833 10.781 ( 1.549 3.287 5.786) 6.833 11.026 ( 4.575 1.861 -1.794) 5.255 11.026 ( 4.575 1.861 1.794) 5.255 11.338 ( 7.234 8.599 -3.265) 11.702 11.338 ( 7.234 8.599 3.265) 11.702 11.486 ( 1.613 5.483 -6.000) 8.286 11.486 ( 1.613 5.483 6.000) 8.286 11.733 ( 2.247 -1.193 -4.112) 4.836 11.733 ( 2.247 -1.193 4.112) 4.836 11.793 ( 3.645 2.885 -3.612) 5.887 11.793 ( 3.645 2.885 3.612) 5.887 12.236 ( -0.540 5.023 -2.263) 5.536 12.236 ( -0.540 5.023 2.263) 5.536 12.680 ( -0.731 5.342 -8.967) 10.463 12.680 ( -0.731 5.342 8.967) 10.463 13.020 ( -6.625 -2.144 -9.801) 12.023 13.020 ( -6.625 -2.144 9.801) 12.023 13.252 ( -2.140 -3.844 -7.640) 8.816 13.252 ( -2.140 -3.844 7.640) 8.816 14.258 ( 3.673 -2.866 -3.408) 5.772 14.258 ( 3.673 -2.866 3.408) 5.772 15.588 ( -1.387 -13.710 -4.129) 14.386 15.588 ( -1.387 -13.710 4.129) 14.386 16.049 ( -11.589 -16.974 -6.022) 21.417 16.049 ( -11.589 -16.974 6.022) 21.417 17.378 ( 11.093 -10.336 -4.128) 15.714 17.378 ( 11.093 -10.336 4.128) 15.714 17.978 ( 5.867 -9.391 -9.229) 14.415 17.978 ( 5.867 -9.391 9.229) 14.415 18.301 ( -2.593 -14.209 -0.502) 14.453 18.301 ( -2.593 -14.209 0.502) 14.453 18.802 ( -9.689 -13.691 -3.191) 17.074 18.802 ( -9.689 -13.691 3.191) 17.074 ======================= Grid point 194 (63/81) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 12.860 14.249 -15.262) 24.522 2.637 ( 12.860 14.249 15.262) 24.522 2.962 ( -5.378 12.194 -12.062) 17.975 2.962 ( -5.378 12.194 12.062) 17.975 3.110 ( 9.728 19.902 -14.768) 26.624 3.110 ( 9.728 19.902 14.768) 26.624 3.471 ( -14.290 25.084 -8.686) 30.147 3.471 ( -14.290 25.084 8.686) 30.147 4.013 ( 4.576 17.925 -5.711) 19.362 4.013 ( 4.576 17.925 5.711) 19.362 4.324 ( 2.906 7.116 -2.795) 8.179 4.324 ( 2.906 7.116 2.795) 8.179 4.709 ( 7.356 13.223 -6.678) 16.540 4.709 ( 7.356 13.223 6.678) 16.540 4.987 ( -6.166 19.494 -4.325) 20.898 4.987 ( -6.166 19.494 4.325) 20.898 5.338 ( 8.983 40.147 -9.024) 42.118 5.338 ( 8.983 40.147 9.024) 42.118 5.541 ( 4.024 15.721 -3.385) 16.577 5.541 ( 4.024 15.721 3.385) 16.577 5.841 ( -2.902 18.276 -11.327) 21.697 5.841 ( -2.902 18.276 11.327) 21.697 5.951 ( -7.631 22.534 -12.831) 27.031 5.951 ( -7.631 22.534 12.831) 27.031 6.191 ( -0.159 31.867 -2.082) 31.935 6.191 ( -0.159 31.867 2.082) 31.935 6.358 ( -10.710 33.359 -7.245) 35.777 6.358 ( -10.710 33.359 7.245) 35.777 7.588 ( 5.319 -0.010 -3.147) 6.180 7.588 ( 5.319 -0.010 3.147) 6.180 7.701 ( -5.381 -0.507 -3.911) 6.671 7.701 ( -5.381 -0.507 3.911) 6.671 8.162 ( -1.790 1.344 -2.830) 3.609 8.162 ( -1.790 1.344 2.830) 3.609 8.280 ( -2.482 1.262 -3.215) 4.253 8.280 ( -2.482 1.262 3.215) 4.253 9.062 ( 8.480 -2.382 -4.443) 9.866 9.062 ( 8.480 -2.382 4.443) 9.866 9.244 ( -4.851 -3.685 -3.708) 7.131 9.244 ( -4.851 -3.685 3.708) 7.131 9.728 ( 7.460 15.139 -8.546) 18.918 9.728 ( 7.460 15.139 8.546) 18.918 9.936 ( -10.127 7.537 -13.030) 18.143 9.936 ( -10.127 7.537 13.030) 18.143 10.094 ( 2.099 14.126 -1.256) 14.336 10.094 ( 2.099 14.126 1.256) 14.336 10.380 ( -4.741 0.984 -1.273) 5.007 10.380 ( -4.741 0.984 1.273) 5.007 10.670 ( 5.654 3.928 -3.793) 7.860 10.670 ( 5.654 3.928 3.793) 7.860 10.766 ( -3.169 3.833 -5.703) 7.567 10.766 ( -3.169 3.833 5.703) 7.567 11.114 ( 3.037 5.430 -0.707) 6.262 11.114 ( 3.037 5.430 0.707) 6.262 11.449 ( 2.240 -2.563 -2.380) 4.154 11.449 ( 2.240 -2.563 2.380) 4.154 11.603 ( 7.894 12.749 -6.731) 16.437 11.603 ( 7.894 12.749 6.731) 16.437 11.791 ( 1.738 -1.242 -4.644) 5.112 11.791 ( 1.738 -1.242 4.644) 5.112 11.817 ( -1.141 -1.315 -4.024) 4.384 11.817 ( -1.141 -1.315 4.024) 4.384 12.241 ( 0.759 4.016 -0.740) 4.154 12.241 ( 0.759 4.016 0.740) 4.154 12.615 ( -4.155 8.223 -4.500) 10.254 12.615 ( -4.155 8.223 4.500) 10.254 12.912 ( -2.665 -2.686 -5.378) 6.576 12.912 ( -2.665 -2.686 5.378) 6.576 13.211 ( -1.207 -4.453 -4.628) 6.534 13.211 ( -1.207 -4.453 4.628) 6.534 14.332 ( 2.481 -3.292 -1.741) 4.475 14.332 ( 2.481 -3.292 1.741) 4.475 15.551 ( -1.560 -15.741 -3.190) 16.136 15.551 ( -1.560 -15.741 3.190) 16.136 15.855 ( -5.303 -13.024 -3.365) 14.459 15.855 ( -5.303 -13.024 3.365) 14.459 17.548 ( 4.154 -12.856 -2.252) 13.697 17.548 ( 4.154 -12.856 2.252) 13.697 18.178 ( 9.624 -9.703 -6.166) 14.993 18.178 ( 9.624 -9.703 6.166) 14.993 18.266 ( 2.939 -13.226 -6.723) 15.125 18.266 ( 2.939 -13.226 6.723) 15.125 18.537 ( -14.989 -11.804 -2.830) 19.288 18.537 ( -14.989 -11.804 2.830) 19.288 ======================= Grid point 200 (64/81) ======================= q-point: ( 0.00 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 0.000 19.628 -5.450) 20.370 2.695 ( 0.000 19.628 5.450) 20.370 3.053 ( 0.000 24.191 -9.371) 25.942 3.053 ( 0.000 24.191 9.371) 25.942 3.502 ( 0.000 2.538 -4.108) 4.828 3.502 ( 0.000 2.538 4.108) 4.828 3.972 ( 0.000 2.691 -7.070) 7.565 3.972 ( 0.000 2.691 7.070) 7.565 4.266 ( 0.000 24.954 -1.137) 24.980 4.266 ( 0.000 24.954 1.137) 24.980 4.348 ( 0.000 25.307 -3.544) 25.554 4.348 ( 0.000 25.307 3.544) 25.554 5.116 ( 0.000 13.635 -10.929) 17.474 5.116 ( 0.000 13.635 10.929) 17.474 5.519 ( 0.000 13.167 -7.285) 15.048 5.519 ( 0.000 13.167 7.285) 15.048 5.730 ( 0.000 20.482 -0.403) 20.486 5.730 ( 0.000 20.482 0.403) 20.486 5.889 ( 0.000 23.574 -1.758) 23.639 5.889 ( 0.000 23.574 1.758) 23.639 6.289 ( 0.000 33.958 -12.714) 36.260 6.289 ( 0.000 33.958 12.714) 36.260 6.433 ( 0.000 22.879 -0.411) 22.883 6.433 ( 0.000 22.879 0.411) 22.883 7.106 ( 0.000 41.388 -11.316) 42.907 7.106 ( 0.000 41.388 11.316) 42.907 7.276 ( 0.000 27.859 -0.223) 27.860 7.276 ( 0.000 27.859 0.223) 27.860 7.645 ( 0.000 14.635 -1.304) 14.693 7.645 ( 0.000 14.635 1.304) 14.693 7.996 ( 0.000 -6.156 -5.506) 8.259 7.996 ( 0.000 -6.156 5.506) 8.259 8.173 ( 0.000 9.090 -1.749) 9.257 8.173 ( 0.000 9.090 1.749) 9.257 8.395 ( 0.000 1.588 -4.201) 4.491 8.395 ( 0.000 1.588 4.201) 4.491 8.773 ( 0.000 8.124 -7.813) 11.271 8.773 ( 0.000 8.124 7.813) 11.271 9.322 ( 0.000 -6.684 -2.001) 6.977 9.322 ( 0.000 -6.684 2.001) 6.977 9.734 ( 0.000 9.909 -2.202) 10.151 9.734 ( 0.000 9.909 2.202) 10.151 10.145 ( 0.000 -6.437 -8.850) 10.944 10.145 ( 0.000 -6.437 8.850) 10.944 10.316 ( 0.000 5.931 -8.224) 10.140 10.316 ( 0.000 5.931 8.224) 10.140 10.534 ( 0.000 -3.981 -4.081) 5.701 10.534 ( 0.000 -3.981 4.081) 5.701 10.711 ( 0.000 6.169 -0.341) 6.179 10.711 ( 0.000 6.169 0.341) 6.179 10.835 ( 0.000 10.993 -8.420) 13.847 10.835 ( 0.000 10.993 8.420) 13.847 10.987 ( 0.000 3.960 -2.822) 4.862 10.987 ( 0.000 3.960 2.822) 4.862 11.367 ( 0.000 -2.653 -4.199) 4.967 11.367 ( 0.000 -2.653 4.199) 4.967 11.461 ( 0.000 -7.955 -3.261) 8.598 11.461 ( 0.000 -7.955 3.261) 8.598 11.716 ( 0.000 13.411 -10.704) 17.160 11.716 ( 0.000 13.411 10.704) 17.160 12.015 ( 0.000 13.451 -5.033) 14.362 12.015 ( 0.000 13.451 5.033) 14.362 12.397 ( 0.000 10.456 -3.554) 11.043 12.397 ( 0.000 10.456 3.554) 11.043 12.781 ( 0.000 5.828 -7.601) 9.578 12.781 ( 0.000 5.828 7.601) 9.578 13.068 ( 0.000 -2.726 -9.655) 10.033 13.068 ( 0.000 -2.726 9.655) 10.033 13.192 ( 0.000 -3.056 -6.847) 7.498 13.192 ( 0.000 -3.056 6.847) 7.498 14.126 ( 0.000 -6.932 -6.925) 9.798 14.126 ( 0.000 -6.932 6.925) 9.798 15.301 ( 0.000 -17.134 -3.831) 17.557 15.301 ( 0.000 -17.134 3.831) 17.557 15.745 ( 0.000 -25.835 -4.433) 26.213 15.745 ( 0.000 -25.835 4.433) 26.213 17.068 ( 0.000 -8.539 -4.126) 9.484 17.068 ( 0.000 -8.539 4.126) 9.484 17.703 ( 0.000 -11.842 -9.005) 14.877 17.703 ( 0.000 -11.842 9.005) 14.877 18.008 ( 0.000 -18.063 -0.758) 18.079 18.008 ( 0.000 -18.063 0.758) 18.079 18.625 ( 0.000 -13.892 -6.285) 15.248 18.625 ( 0.000 -13.892 6.285) 15.248 ======================= Grid point 202 (65/81) ======================= q-point: ( 0.20 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 6.788 18.635 -9.516) 21.998 2.776 ( 6.788 18.635 9.516) 21.998 3.141 ( 8.436 20.554 -15.504) 27.093 3.141 ( 8.436 20.554 15.504) 27.093 3.406 ( -6.677 6.171 -0.889) 9.135 3.406 ( -6.677 6.171 0.889) 9.135 4.057 ( 1.333 6.370 -8.552) 10.747 4.057 ( 1.333 6.370 8.552) 10.747 4.268 ( 2.309 17.495 -2.055) 17.766 4.268 ( 2.309 17.495 2.055) 17.766 4.380 ( 3.996 25.084 -2.753) 25.549 4.380 ( 3.996 25.084 2.753) 25.549 5.054 ( -4.712 16.130 -8.056) 18.635 5.054 ( -4.712 16.130 8.056) 18.635 5.462 ( -5.736 15.396 -6.690) 17.740 5.462 ( -5.736 15.396 6.690) 17.740 5.707 ( -0.115 12.706 -4.456) 13.465 5.707 ( -0.115 12.706 4.456) 13.465 5.915 ( 0.201 16.612 -5.557) 17.518 5.915 ( 0.201 16.612 5.557) 17.518 6.283 ( 2.324 38.856 -12.839) 40.988 6.283 ( 2.324 38.856 12.839) 40.988 6.555 ( 8.692 29.109 -8.498) 31.546 6.555 ( 8.692 29.109 8.498) 31.546 7.033 ( -6.874 40.308 -10.268) 42.160 7.033 ( -6.874 40.308 10.268) 42.160 7.229 ( -4.216 32.029 -5.665) 32.798 7.229 ( -4.216 32.029 5.665) 32.798 7.627 ( -1.539 8.932 -0.578) 9.082 7.627 ( -1.539 8.932 0.578) 9.082 7.883 ( -8.151 3.959 -6.086) 10.916 7.883 ( -8.151 3.959 6.086) 10.916 8.240 ( 4.385 5.924 -1.793) 7.585 8.240 ( 4.385 5.924 1.793) 7.585 8.359 ( -2.231 3.676 -4.590) 6.290 8.359 ( -2.231 3.676 4.590) 6.290 8.845 ( 5.697 4.164 -8.727) 11.223 8.845 ( 5.697 4.164 8.727) 11.223 9.261 ( -4.891 -6.356 -2.541) 8.413 9.261 ( -4.891 -6.356 2.541) 8.413 9.794 ( 4.869 7.443 -2.922) 9.362 9.794 ( 4.869 7.443 2.922) 9.362 10.087 ( -2.963 -0.235 -3.501) 4.592 10.087 ( -2.963 -0.235 3.501) 4.592 10.411 ( 1.406 -0.853 -5.736) 5.967 10.411 ( 1.406 -0.853 5.736) 5.967 10.524 ( -1.367 4.895 -3.212) 6.013 10.524 ( -1.367 4.895 3.212) 6.013 10.584 ( -1.067 4.523 -2.517) 5.285 10.584 ( -1.067 4.523 2.517) 5.285 10.896 ( 0.350 8.293 -3.036) 8.838 10.896 ( 0.350 8.293 3.036) 8.838 11.079 ( 7.520 3.630 -0.678) 8.378 11.079 ( 7.520 3.630 0.678) 8.378 11.372 ( 0.765 -2.226 -6.310) 6.735 11.372 ( 0.765 -2.226 6.310) 6.735 11.512 ( 4.156 -7.591 -2.468) 9.000 11.512 ( 4.156 -7.591 2.468) 9.000 11.756 ( 3.913 11.969 -9.638) 15.858 11.756 ( 3.913 11.969 9.638) 15.858 12.029 ( 0.713 13.069 -5.600) 14.236 12.029 ( 0.713 13.069 5.600) 14.236 12.364 ( -2.433 8.604 -3.129) 9.473 12.364 ( -2.433 8.604 3.129) 9.473 12.790 ( 0.480 5.139 -9.353) 10.683 12.790 ( 0.480 5.139 9.353) 10.683 12.972 ( -7.805 -2.714 -9.449) 12.552 12.972 ( -7.805 -2.714 9.449) 12.552 13.177 ( -1.844 -2.796 -6.922) 7.690 13.177 ( -1.844 -2.796 6.922) 7.690 14.171 ( 3.949 -6.087 -6.199) 9.543 14.171 ( 3.949 -6.087 6.199) 9.543 15.269 ( -3.103 -18.185 -4.543) 18.999 15.269 ( -3.103 -18.185 4.543) 18.999 15.656 ( -6.626 -22.317 -5.259) 23.867 15.656 ( -6.626 -22.317 5.259) 23.867 17.156 ( 6.599 -11.918 -3.976) 14.192 17.156 ( 6.599 -11.918 3.976) 14.192 17.775 ( 7.004 -11.084 -6.265) 14.531 17.775 ( 7.004 -11.084 6.265) 14.531 17.983 ( -2.009 -17.568 -1.868) 17.780 17.983 ( -2.009 -17.568 1.868) 17.780 18.540 ( -7.979 -12.948 -4.712) 15.922 18.540 ( -7.979 -12.948 4.712) 15.922 ======================= Grid point 204 (66/81) ======================= q-point: ( 0.40 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 7.189 14.875 -9.418) 19.017 2.932 ( 7.189 14.875 9.418) 19.017 3.181 ( -6.443 10.730 -7.833) 14.765 3.181 ( -6.443 10.730 7.833) 14.765 3.487 ( 15.502 17.011 -13.328) 26.596 3.487 ( 15.502 17.011 13.328) 26.596 3.886 ( -14.180 14.516 -10.913) 23.041 3.886 ( -14.180 14.516 10.913) 23.041 4.360 ( 3.000 14.938 -3.200) 15.569 4.360 ( 3.000 14.938 3.200) 15.569 4.508 ( 5.856 15.105 -1.098) 16.238 4.508 ( 5.856 15.105 1.098) 16.238 4.976 ( -1.993 15.512 -2.863) 15.899 4.976 ( -1.993 15.512 2.863) 15.899 5.325 ( -5.268 16.277 -3.491) 17.461 5.325 ( -5.268 16.277 3.491) 17.461 5.755 ( 4.336 8.905 -7.022) 12.142 5.755 ( 4.336 8.905 7.022) 12.142 5.859 ( -4.838 8.766 -7.246) 12.359 5.859 ( -4.838 8.766 7.246) 12.359 6.415 ( 9.010 45.526 -10.941) 47.681 6.415 ( 9.010 45.526 10.941) 47.681 6.660 ( -3.538 37.809 -11.699) 39.736 6.660 ( -3.538 37.809 11.699) 39.736 6.925 ( 2.341 38.438 -4.091) 38.726 6.925 ( 2.341 38.438 4.091) 38.726 7.095 ( -8.366 36.600 -6.103) 38.037 7.095 ( -8.366 36.600 6.103) 38.037 7.618 ( 1.267 2.664 -0.441) 2.982 7.618 ( 1.267 2.664 0.441) 2.982 7.732 ( -5.538 4.864 -2.902) 7.922 7.732 ( -5.538 4.864 2.902) 7.922 8.263 ( -1.017 11.645 -0.393) 11.696 8.263 ( -1.017 11.645 0.393) 11.696 8.376 ( 2.294 8.201 -1.403) 8.630 8.376 ( 2.294 8.201 1.403) 8.630 8.969 ( 5.604 -6.045 -7.289) 11.003 8.969 ( 5.604 -6.045 7.289) 11.003 9.148 ( -5.371 -3.629 -3.252) 7.252 9.148 ( -5.371 -3.629 3.252) 7.252 9.908 ( 5.401 5.106 -5.348) 9.157 9.908 ( 5.401 5.106 5.348) 9.157 10.035 ( -2.836 2.462 -6.608) 7.600 10.035 ( -2.836 2.462 6.608) 7.600 10.339 ( -3.210 -0.984 -5.018) 6.037 10.339 ( -3.210 -0.984 5.018) 6.037 10.453 ( -2.739 14.668 -1.524) 14.999 10.453 ( -2.739 14.668 1.524) 14.999 10.729 ( 7.785 1.335 -4.250) 8.970 10.729 ( 7.785 1.335 4.250) 8.970 10.861 ( -3.475 5.098 -3.312) 7.002 10.861 ( -3.475 5.098 3.312) 7.002 11.214 ( 4.334 4.897 -0.957) 6.609 11.214 ( 4.334 4.897 0.957) 6.609 11.388 ( 0.348 -2.351 -3.993) 4.647 11.388 ( 0.348 -2.351 3.993) 4.647 11.602 ( 3.605 -7.895 -1.536) 8.814 11.602 ( 3.605 -7.895 1.536) 8.814 11.838 ( 1.580 6.036 -6.305) 8.870 11.838 ( 1.580 6.036 6.305) 8.870 12.042 ( 1.781 17.373 -5.822) 18.410 12.042 ( 1.781 17.373 5.822) 18.410 12.321 ( -1.716 4.201 -0.728) 4.596 12.321 ( -1.716 4.201 0.728) 4.596 12.757 ( -3.941 4.783 -5.179) 8.077 12.757 ( -3.941 4.783 5.179) 8.077 12.847 ( -1.713 -3.567 -6.286) 7.428 12.847 ( -1.713 -3.567 6.286) 7.428 13.134 ( -1.547 -1.919 -4.387) 5.032 13.134 ( -1.547 -1.919 4.387) 5.032 14.254 ( 2.865 -4.628 -2.864) 6.151 14.254 ( 2.865 -4.628 2.864) 6.151 15.191 ( -3.065 -20.227 -2.627) 20.626 15.191 ( -3.065 -20.227 2.627) 20.626 15.549 ( -2.740 -17.735 -2.643) 18.139 15.549 ( -2.740 -17.735 2.643) 18.139 17.264 ( 2.909 -15.436 -1.606) 15.790 17.264 ( 2.909 -15.436 1.606) 15.790 17.906 ( 0.433 -17.342 -1.841) 17.445 17.906 ( 0.433 -17.342 1.841) 17.445 18.027 ( 11.145 -10.988 -5.805) 16.693 18.027 ( 11.145 -10.988 5.805) 16.693 18.315 ( -12.836 -10.594 -1.553) 16.716 18.315 ( -12.836 -10.594 1.553) 16.716 ======================= Grid point 210 (67/81) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.048 ( 0.000 15.716 -1.392) 15.778 3.048 ( 0.000 15.716 1.392) 15.778 3.475 ( 0.000 16.385 -6.643) 17.681 3.475 ( 0.000 16.385 6.643) 17.681 3.555 ( 0.000 4.344 -2.971) 5.263 3.555 ( 0.000 4.344 2.971) 5.263 4.000 ( 0.000 0.591 -4.062) 4.104 4.000 ( 0.000 0.591 4.062) 4.104 4.719 ( 0.000 20.904 -3.320) 21.166 4.719 ( 0.000 20.904 3.320) 21.166 4.811 ( 0.000 20.716 -4.447) 21.188 4.811 ( 0.000 20.716 4.447) 21.188 5.417 ( 0.000 17.065 -5.961) 18.076 5.417 ( 0.000 17.065 5.961) 18.076 5.772 ( 0.000 12.769 -1.226) 12.827 5.772 ( 0.000 12.769 1.226) 12.827 5.972 ( 0.000 10.865 -0.146) 10.866 5.972 ( 0.000 10.865 0.146) 10.866 6.249 ( 0.000 14.648 -7.318) 16.374 6.249 ( 0.000 14.648 7.318) 16.374 6.555 ( 0.000 4.501 -3.016) 5.419 6.555 ( 0.000 4.501 3.016) 5.419 7.295 ( 0.000 38.019 -8.496) 38.956 7.295 ( 0.000 38.019 8.496) 38.956 7.615 ( 0.000 18.366 -15.082) 23.765 7.615 ( 0.000 18.366 15.082) 23.765 7.838 ( 0.000 1.551 -0.007) 1.551 7.838 ( 0.000 1.551 0.007) 1.551 7.870 ( 0.000 15.572 -5.075) 16.378 7.870 ( 0.000 15.572 5.075) 16.378 7.969 ( 0.000 15.365 -6.389) 16.640 7.969 ( 0.000 15.365 6.389) 16.640 8.441 ( 0.000 13.831 -2.447) 14.046 8.441 ( 0.000 13.831 2.447) 14.046 8.571 ( 0.000 18.890 -0.910) 18.912 8.571 ( 0.000 18.890 0.910) 18.912 9.029 ( 0.000 12.059 -3.470) 12.548 9.029 ( 0.000 12.059 3.470) 12.548 9.265 ( 0.000 8.947 -1.953) 9.158 9.265 ( 0.000 8.947 1.953) 9.158 9.940 ( 0.000 0.901 -3.817) 3.922 9.940 ( 0.000 0.901 3.817) 3.922 10.011 ( 0.000 5.229 -8.388) 9.884 10.011 ( 0.000 5.229 8.388) 9.884 10.249 ( 0.000 -12.167 -10.496) 16.069 10.249 ( 0.000 -12.167 10.496) 16.069 10.491 ( 0.000 2.160 -3.016) 3.710 10.491 ( 0.000 2.160 3.016) 3.710 10.824 ( 0.000 4.351 -1.758) 4.692 10.824 ( 0.000 4.351 1.758) 4.692 11.002 ( 0.000 4.824 -4.051) 6.299 11.002 ( 0.000 4.824 4.051) 6.299 11.065 ( 0.000 -6.826 -4.472) 8.160 11.065 ( 0.000 -6.826 4.472) 8.160 11.223 ( 0.000 4.700 -3.681) 5.970 11.223 ( 0.000 4.700 3.681) 5.970 11.508 ( 0.000 8.371 -2.476) 8.729 11.508 ( 0.000 8.371 2.476) 8.729 11.989 ( 0.000 13.237 -6.937) 14.945 11.989 ( 0.000 13.237 6.937) 14.945 12.185 ( 0.000 4.452 -5.359) 6.967 12.185 ( 0.000 4.452 5.359) 6.967 12.670 ( 0.000 15.705 -0.586) 15.716 12.670 ( 0.000 15.705 0.586) 15.716 12.868 ( 0.000 2.602 -7.890) 8.308 12.868 ( 0.000 2.602 7.890) 8.308 13.002 ( 0.000 -3.608 -15.616) 16.028 13.002 ( 0.000 -3.608 15.616) 16.028 13.196 ( 0.000 3.951 -5.685) 6.923 13.196 ( 0.000 3.951 5.685) 6.923 13.938 ( 0.000 -11.999 -7.890) 14.361 13.938 ( 0.000 -11.999 7.890) 14.361 14.955 ( 0.000 -17.260 -3.972) 17.711 14.955 ( 0.000 -17.260 3.972) 17.711 15.223 ( 0.000 -26.407 -1.716) 26.463 15.223 ( 0.000 -26.407 1.716) 26.463 16.887 ( 0.000 -9.802 -5.924) 11.453 16.887 ( 0.000 -9.802 5.924) 11.453 17.465 ( 0.000 -12.634 -7.139) 14.511 17.465 ( 0.000 -12.634 7.139) 14.511 17.643 ( 0.000 -18.450 -3.442) 18.769 17.643 ( 0.000 -18.450 3.442) 18.769 18.351 ( 0.000 -14.388 -6.150) 15.647 18.351 ( 0.000 -14.388 6.150) 15.647 ======================= Grid point 212 (68/81) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 4.730 14.474 -3.381) 15.598 3.106 ( 4.730 14.474 3.381) 15.598 3.447 ( -3.138 8.284 -7.974) 11.919 3.447 ( -3.138 8.284 7.974) 11.919 3.574 ( 4.270 12.321 -1.351) 13.110 3.574 ( 4.270 12.321 1.351) 13.110 4.071 ( 3.814 -1.376 -4.454) 6.024 4.071 ( 3.814 -1.376 4.454) 6.024 4.669 ( -3.499 19.819 -3.847) 20.490 4.669 ( -3.499 19.819 3.847) 20.490 4.832 ( 1.540 20.148 -4.349) 20.669 4.832 ( 1.540 20.148 4.349) 20.669 5.397 ( -1.931 19.042 -4.395) 19.638 5.397 ( -1.931 19.042 4.395) 19.638 5.750 ( -2.922 14.074 -2.756) 14.636 5.750 ( -2.922 14.074 2.756) 14.636 5.903 ( -4.245 9.761 -4.648) 11.614 5.903 ( -4.245 9.761 4.648) 11.614 6.158 ( -5.001 11.830 -7.414) 14.830 6.158 ( -5.001 11.830 7.414) 14.830 6.724 ( 12.073 8.934 -4.277) 15.616 6.724 ( 12.073 8.934 4.277) 15.616 7.342 ( 2.882 30.974 -7.806) 32.073 7.342 ( 2.882 30.974 7.806) 32.073 7.575 ( -3.602 20.556 -14.292) 25.294 7.575 ( -3.602 20.556 14.292) 25.294 7.713 ( -5.410 4.158 -3.112) 7.499 7.713 ( -5.410 4.158 3.112) 7.499 7.874 ( -2.396 27.704 -3.624) 28.043 7.874 ( -2.396 27.704 3.624) 28.043 8.032 ( 1.614 8.346 -7.754) 11.505 8.032 ( 1.614 8.346 7.754) 11.505 8.415 ( 0.525 11.787 -1.662) 11.915 8.415 ( 0.525 11.787 1.662) 11.915 8.620 ( 3.804 22.235 -1.152) 22.587 8.620 ( 3.804 22.235 1.152) 22.587 8.998 ( -4.000 5.752 -5.921) 9.173 8.998 ( -4.000 5.752 5.921) 9.173 9.234 ( -1.770 11.482 -2.954) 11.987 9.234 ( -1.770 11.482 2.954) 11.987 9.930 ( 1.319 4.029 -2.110) 4.736 9.930 ( 1.319 4.029 2.110) 4.736 10.072 ( 1.845 2.724 -2.816) 4.330 10.072 ( 1.845 2.724 2.816) 4.330 10.269 ( 1.659 -10.107 -5.228) 11.499 10.269 ( 1.659 -10.107 5.228) 11.499 10.534 ( 5.016 0.312 -2.654) 5.684 10.534 ( 5.016 0.312 2.654) 5.684 10.744 ( -4.519 5.962 -1.342) 7.601 10.744 ( -4.519 5.962 1.342) 7.601 11.010 ( -2.851 -0.631 -1.629) 3.343 11.010 ( -2.851 -0.631 1.629) 3.343 11.130 ( 7.545 0.654 -1.848) 7.796 11.130 ( 7.545 0.654 1.848) 7.796 11.321 ( 7.091 2.380 -4.268) 8.612 11.321 ( 7.091 2.380 4.268) 8.612 11.506 ( -0.192 7.604 -3.579) 8.406 11.506 ( -0.192 7.604 3.579) 8.406 11.991 ( 0.178 11.410 -6.968) 13.371 11.991 ( 0.178 11.410 6.968) 13.371 12.202 ( 1.748 4.464 -6.508) 8.083 12.202 ( 1.748 4.464 6.508) 8.083 12.589 ( -6.416 12.804 -1.714) 14.424 12.589 ( -6.416 12.804 1.714) 14.424 12.853 ( -2.118 1.242 -7.065) 7.479 12.853 ( -2.118 1.242 7.065) 7.479 12.909 ( -7.635 -3.266 -10.055) 13.041 12.909 ( -7.635 -3.266 10.055) 13.041 13.192 ( -0.263 4.656 -4.995) 6.834 13.192 ( -0.263 4.656 4.995) 6.834 14.018 ( 6.675 -9.243 -6.885) 13.319 14.018 ( 6.675 -9.243 6.885) 13.319 14.900 ( -5.072 -18.527 -3.899) 19.601 14.900 ( -5.072 -18.527 3.899) 19.601 15.199 ( -1.734 -23.511 -3.344) 23.811 15.199 ( -1.734 -23.511 3.344) 23.811 16.917 ( 2.387 -12.211 -4.257) 13.150 16.917 ( 2.387 -12.211 4.257) 13.150 17.530 ( 4.061 -14.955 -3.424) 15.871 17.530 ( 4.061 -14.955 3.424) 15.871 17.645 ( 2.217 -15.350 -4.472) 16.141 17.645 ( 2.217 -15.350 4.472) 16.141 18.283 ( -6.317 -13.493 -5.376) 15.839 18.283 ( -6.317 -13.493 5.376) 15.839 ======================= Grid point 214 (69/81) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 3.080 11.601 -4.408) 12.787 3.196 ( 3.080 11.601 4.408) 12.787 3.375 ( -2.816 8.676 -4.956) 10.381 3.375 ( -2.816 8.676 4.956) 10.381 3.758 ( 12.389 10.167 -8.706) 18.238 3.758 ( 12.389 10.167 8.706) 18.238 4.024 ( -9.062 1.547 -7.958) 12.159 4.024 ( -9.062 1.547 7.958) 12.159 4.646 ( 1.263 15.082 -1.705) 15.231 4.646 ( 1.263 15.082 1.705) 15.231 4.854 ( 0.312 17.522 -3.747) 17.921 4.854 ( 0.312 17.522 3.747) 17.921 5.348 ( -1.982 21.702 -1.565) 21.848 5.348 ( -1.982 21.702 1.565) 21.848 5.657 ( -3.638 17.727 -2.154) 18.224 5.657 ( -3.638 17.727 2.154) 18.224 5.888 ( 1.544 6.258 -4.324) 7.762 5.888 ( 1.544 6.258 4.324) 7.762 6.075 ( -2.864 13.138 -4.514) 14.184 6.075 ( -2.864 13.138 4.514) 14.184 6.990 ( 13.295 12.213 -6.914) 19.332 6.990 ( 13.295 12.213 6.914) 19.332 7.261 ( -11.008 14.346 -5.917) 19.026 7.261 ( -11.008 14.346 5.917) 19.026 7.570 ( 2.337 14.612 -3.439) 15.192 7.570 ( 2.337 14.612 3.439) 15.192 7.662 ( 1.367 19.979 -4.920) 20.621 7.662 ( 1.367 19.979 4.920) 20.621 7.819 ( -3.455 27.980 -4.377) 28.530 7.819 ( -3.455 27.980 4.377) 28.530 7.966 ( -4.335 23.482 -4.288) 24.261 7.966 ( -4.335 23.482 4.288) 24.261 8.521 ( 6.835 4.803 -0.448) 8.366 8.521 ( 6.835 4.803 0.448) 8.366 8.686 ( 1.535 26.251 -0.746) 26.307 8.686 ( 1.535 26.251 0.746) 26.307 8.875 ( -5.820 0.452 -2.905) 6.520 8.875 ( -5.820 0.452 2.905) 6.520 9.213 ( -0.506 11.345 -1.311) 11.432 9.213 ( -0.506 11.345 1.311) 11.432 9.989 ( 3.168 4.192 -4.877) 7.169 9.989 ( 3.168 4.192 4.877) 7.169 10.074 ( -0.816 2.335 -6.856) 7.288 10.074 ( -0.816 2.335 6.856) 7.288 10.265 ( -1.460 -4.026 -1.907) 4.688 10.265 ( -1.460 -4.026 1.907) 4.688 10.665 ( 0.240 0.808 -0.138) 0.854 10.665 ( 0.240 0.808 0.138) 0.854 10.730 ( 8.840 3.455 -7.955) 12.384 10.730 ( 8.840 3.455 7.955) 12.384 10.917 ( -6.531 0.116 -5.952) 8.837 10.917 ( -6.531 0.116 5.952) 8.837 11.276 ( 5.489 0.834 -2.562) 6.114 11.276 ( 5.489 0.834 2.562) 6.114 11.406 ( -0.536 2.865 -4.863) 5.670 11.406 ( -0.536 2.865 4.863) 5.670 11.534 ( 3.300 4.855 -2.579) 6.411 11.534 ( 3.300 4.855 2.579) 6.411 11.976 ( -1.800 8.309 -3.905) 9.355 11.976 ( -1.800 8.309 3.905) 9.355 12.281 ( 6.433 4.550 -6.789) 10.401 12.281 ( 6.433 4.550 6.789) 10.401 12.448 ( -7.210 9.257 -3.056) 12.125 12.448 ( -7.210 9.257 3.056) 12.125 12.743 ( -5.121 -4.787 -6.182) 9.347 12.743 ( -5.121 -4.787 6.182) 9.347 12.806 ( -2.295 -0.096 -5.100) 5.594 12.806 ( -2.295 -0.096 5.100) 5.594 13.190 ( 0.051 7.074 -2.350) 7.454 13.190 ( 0.051 7.074 2.350) 7.454 14.154 ( 4.730 -5.313 -3.319) 7.850 14.154 ( 4.730 -5.313 3.319) 7.850 14.785 ( -4.309 -20.302 -2.051) 20.856 14.785 ( -4.309 -20.302 2.051) 20.856 15.172 ( -0.683 -20.253 -1.556) 20.324 15.172 ( -0.683 -20.253 1.556) 20.324 16.961 ( 1.345 -15.009 -1.385) 15.133 16.961 ( 1.345 -15.009 1.385) 15.133 17.542 ( -0.871 -19.164 -0.058) 19.184 17.542 ( -0.871 -19.164 0.058) 19.184 17.807 ( 10.215 -11.641 -1.750) 15.586 17.807 ( 10.215 -11.641 1.750) 15.586 18.108 ( -9.414 -10.997 -3.060) 14.796 18.108 ( -9.414 -10.997 3.060) 14.796 ======================= Grid point 220 (70/81) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 0.000 9.695 -1.141) 9.762 3.299 ( 0.000 9.695 1.141) 9.762 3.571 ( 0.000 1.659 -2.899) 3.340 3.571 ( 0.000 1.659 2.899) 3.340 3.782 ( 0.000 10.602 -1.856) 10.763 3.782 ( 0.000 10.602 1.856) 10.763 4.004 ( 0.000 -0.049 -1.428) 1.429 4.004 ( 0.000 -0.049 1.428) 1.429 5.089 ( 0.000 16.601 -2.414) 16.776 5.089 ( 0.000 16.601 2.414) 16.776 5.168 ( 0.000 16.076 -5.537) 17.002 5.168 ( 0.000 16.076 5.537) 17.002 5.753 ( 0.000 16.236 -0.727) 16.253 5.753 ( 0.000 16.236 0.727) 16.253 6.017 ( 0.000 12.920 -0.377) 12.926 6.017 ( 0.000 12.920 0.377) 12.926 6.253 ( 0.000 16.148 -4.876) 16.869 6.253 ( 0.000 16.148 4.876) 16.869 6.473 ( 0.000 8.621 -6.864) 11.020 6.473 ( 0.000 8.621 6.864) 11.020 6.597 ( 0.000 1.136 -1.592) 1.956 6.597 ( 0.000 1.136 1.592) 1.956 7.469 ( 0.000 -4.270 -0.408) 4.289 7.469 ( 0.000 -4.270 0.408) 4.289 7.800 ( 0.000 -3.649 -15.604) 16.025 7.800 ( 0.000 -3.649 15.604) 16.025 7.923 ( 0.000 6.543 -3.553) 7.446 7.923 ( 0.000 6.543 3.553) 7.446 8.074 ( 0.000 0.439 -1.932) 1.982 8.074 ( 0.000 0.439 1.932) 1.982 8.436 ( 0.000 17.549 -1.941) 17.656 8.436 ( 0.000 17.549 1.941) 17.656 8.646 ( 0.000 17.802 -6.553) 18.970 8.646 ( 0.000 17.802 6.553) 18.970 8.939 ( 0.000 14.773 -2.505) 14.984 8.939 ( 0.000 14.773 2.505) 14.984 9.317 ( 0.000 19.000 -6.059) 19.943 9.317 ( 0.000 19.000 6.059) 19.943 9.586 ( 0.000 11.302 -0.245) 11.305 9.586 ( 0.000 11.302 0.245) 11.305 9.872 ( 0.000 3.950 -1.942) 4.402 9.872 ( 0.000 3.950 1.942) 4.402 9.956 ( 0.000 -12.761 -6.568) 14.352 9.956 ( 0.000 -12.761 6.568) 14.352 10.366 ( 0.000 20.626 -6.576) 21.649 10.366 ( 0.000 20.626 6.576) 21.649 10.580 ( 0.000 6.553 -2.469) 7.003 10.580 ( 0.000 6.553 2.469) 7.003 10.875 ( 0.000 -4.800 -0.622) 4.840 10.875 ( 0.000 -4.800 0.622) 4.840 10.891 ( 0.000 1.007 -0.716) 1.236 10.891 ( 0.000 1.007 0.716) 1.236 11.070 ( 0.000 2.227 -3.304) 3.984 11.070 ( 0.000 2.227 3.304) 3.984 11.370 ( 0.000 7.051 -5.984) 9.248 11.370 ( 0.000 7.051 5.984) 9.248 11.792 ( 0.000 18.866 -2.462) 19.026 11.792 ( 0.000 18.866 2.462) 19.026 12.222 ( 0.000 7.116 -6.831) 9.864 12.222 ( 0.000 7.116 6.831) 9.864 12.230 ( 0.000 3.749 -0.292) 3.760 12.230 ( 0.000 3.749 0.292) 3.760 12.850 ( 0.000 1.287 -9.662) 9.747 12.850 ( 0.000 1.287 9.662) 9.747 12.905 ( 0.000 -1.377 -15.224) 15.286 12.905 ( 0.000 -1.377 15.224) 15.286 13.054 ( 0.000 13.601 -9.239) 16.442 13.054 ( 0.000 13.601 9.239) 16.442 13.321 ( 0.000 7.785 -2.698) 8.240 13.321 ( 0.000 7.785 2.698) 8.240 13.682 ( 0.000 -12.558 -5.577) 13.740 13.682 ( 0.000 -12.558 5.577) 13.740 14.645 ( 0.000 -13.989 -3.113) 14.331 14.645 ( 0.000 -13.989 3.113) 14.331 14.731 ( 0.000 -23.051 -1.072) 23.076 14.731 ( 0.000 -23.051 1.072) 23.076 16.686 ( 0.000 -10.480 -7.451) 12.859 16.686 ( 0.000 -10.480 7.451) 12.859 17.180 ( 0.000 -16.784 -2.762) 17.010 17.180 ( 0.000 -16.784 2.762) 17.010 17.312 ( 0.000 -14.740 -3.038) 15.050 17.312 ( 0.000 -14.740 3.038) 15.050 18.047 ( 0.000 -16.604 -4.828) 17.292 18.047 ( 0.000 -16.604 4.828) 17.292 ======================= Grid point 222 (71/81) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 2.820 8.742 -1.120) 9.254 3.335 ( 2.820 8.742 1.120) 9.254 3.546 ( -1.930 3.384 -3.781) 5.429 3.546 ( -1.930 3.384 3.781) 5.429 3.794 ( 2.052 8.528 -1.820) 8.958 3.794 ( 2.052 8.528 1.820) 8.958 4.037 ( 1.617 -1.839 -2.015) 3.171 4.037 ( 1.617 -1.839 2.015) 3.171 5.026 ( -4.634 16.628 -6.967) 18.614 5.026 ( -4.634 16.628 6.967) 18.614 5.177 ( 0.298 15.354 -7.696) 17.177 5.177 ( 0.298 15.354 7.696) 17.177 5.776 ( 1.425 18.532 -0.805) 18.604 5.776 ( 1.425 18.532 0.805) 18.604 5.988 ( -1.890 10.866 -1.236) 11.098 5.988 ( -1.890 10.866 1.236) 11.098 6.165 ( -6.018 15.779 -6.045) 17.937 6.165 ( -6.018 15.779 6.045) 17.937 6.399 ( -2.954 12.972 -6.867) 14.972 6.399 ( -2.954 12.972 6.867) 14.972 6.800 ( 13.169 0.178 -1.731) 13.284 6.800 ( 13.169 0.178 1.731) 13.284 7.455 ( -1.976 -3.895 -2.530) 5.048 7.455 ( -1.976 -3.895 2.530) 5.048 7.678 ( -7.373 -2.790 -10.366) 13.023 7.678 ( -7.373 -2.790 10.366) 13.023 7.968 ( -2.128 5.051 -3.620) 6.569 7.968 ( -2.128 5.051 3.620) 6.569 8.093 ( 5.184 0.563 -1.932) 5.561 8.093 ( 5.184 0.563 1.932) 5.561 8.446 ( 0.064 13.991 -3.079) 14.326 8.446 ( 0.064 13.991 3.079) 14.326 8.674 ( 2.950 22.011 -4.855) 22.732 8.674 ( 2.950 22.011 4.855) 22.732 8.978 ( 2.746 14.305 -3.920) 15.084 8.978 ( 2.746 14.305 3.920) 15.084 9.265 ( -3.791 20.753 -4.328) 21.536 9.265 ( -3.791 20.753 4.328) 21.536 9.534 ( -4.395 8.891 -3.082) 10.386 9.534 ( -4.395 8.891 3.082) 10.386 9.942 ( 6.800 0.428 -3.482) 7.651 9.942 ( 6.800 0.428 3.482) 7.651 10.031 ( 5.314 -3.237 -4.468) 7.660 10.031 ( 5.314 -3.237 4.468) 7.660 10.346 ( -1.842 15.840 -3.557) 16.339 10.346 ( -1.842 15.840 3.557) 16.339 10.588 ( 1.355 5.900 -2.592) 6.586 10.588 ( 1.355 5.900 2.592) 6.586 10.807 ( -4.509 1.175 -3.243) 5.677 10.807 ( -4.509 1.175 3.243) 5.677 10.926 ( 3.122 -2.309 -6.236) 7.346 10.926 ( 3.122 -2.309 6.236) 7.346 11.165 ( 6.301 1.431 -1.109) 6.556 11.165 ( 6.301 1.431 1.109) 6.556 11.406 ( 2.992 5.523 -5.196) 8.152 11.406 ( 2.992 5.523 5.196) 8.152 11.783 ( -0.840 18.089 -2.454) 18.274 11.783 ( -0.840 18.089 2.454) 18.274 12.190 ( -2.427 6.656 -2.548) 7.529 12.190 ( -2.427 6.656 2.548) 7.529 12.250 ( 1.861 2.713 -7.171) 7.889 12.250 ( 1.861 2.713 7.171) 7.889 12.750 ( -8.709 1.929 -8.601) 12.391 12.750 ( -8.709 1.929 8.601) 12.391 12.827 ( -6.753 -1.125 -13.746) 15.356 12.827 ( -6.753 -1.125 13.746) 15.356 12.972 ( -6.366 9.592 -7.048) 13.498 12.972 ( -6.366 9.592 7.048) 13.498 13.324 ( 1.575 7.905 -2.866) 8.555 13.324 ( 1.575 7.905 2.866) 8.555 13.835 ( 11.274 -8.141 -4.383) 14.580 13.835 ( 11.274 -8.141 4.383) 14.580 14.567 ( -6.224 -14.992 -1.886) 16.342 14.567 ( -6.224 -14.992 1.886) 16.342 14.754 ( 1.163 -21.112 -1.207) 21.178 14.754 ( 1.163 -21.112 1.207) 21.178 16.681 ( -0.198 -11.699 -5.177) 12.795 16.681 ( -0.198 -11.699 5.177) 12.795 17.187 ( -0.478 -18.629 -1.130) 18.669 17.187 ( -0.478 -18.629 1.130) 18.669 17.382 ( 7.113 -12.695 -2.113) 14.704 17.382 ( 7.113 -12.695 2.113) 14.704 17.996 ( -4.802 -15.862 -4.561) 17.189 17.996 ( -4.802 -15.862 4.561) 17.189 ======================= Grid point 224 (72/81) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 1.207 7.306 -1.281) 7.515 3.382 ( 1.207 7.306 1.281) 7.515 3.515 ( -0.799 5.460 -3.020) 6.291 3.515 ( -0.799 5.460 3.020) 6.291 3.886 ( 6.409 3.283 -3.719) 8.105 3.886 ( 6.409 3.283 3.719) 8.105 4.014 ( -4.235 -1.659 -3.708) 5.868 4.014 ( -4.235 -1.659 3.708) 5.868 4.950 ( -1.944 15.635 -3.071) 16.052 4.950 ( -1.944 15.635 3.071) 16.052 5.169 ( -0.776 14.568 -4.326) 15.217 5.169 ( -0.776 14.568 4.326) 15.217 5.787 ( 0.072 21.747 -1.133) 21.777 5.787 ( 0.072 21.747 1.133) 21.777 5.990 ( 1.657 13.219 -3.216) 13.705 5.990 ( 1.657 13.219 3.216) 13.705 6.059 ( -3.715 13.838 -4.935) 15.155 6.059 ( -3.715 13.838 4.935) 15.155 6.354 ( -1.301 14.890 -3.077) 15.260 6.354 ( -1.301 14.890 3.077) 15.260 7.079 ( 13.306 -0.987 -5.790) 14.545 7.079 ( 13.306 -0.987 5.790) 14.545 7.333 ( -10.157 -2.101 -7.272) 12.667 7.333 ( -10.157 -2.101 7.272) 12.667 7.578 ( -1.746 -3.252 -2.718) 4.584 7.578 ( -1.746 -3.252 2.718) 4.584 7.904 ( -2.216 2.895 -0.311) 3.659 7.904 ( -2.216 2.895 0.311) 3.659 8.205 ( 3.616 6.904 -2.084) 8.068 8.205 ( 3.616 6.904 2.084) 8.068 8.429 ( -1.148 2.508 -3.425) 4.397 8.429 ( -1.148 2.508 3.425) 4.397 8.764 ( 4.802 30.326 -2.430) 30.800 8.764 ( 4.802 30.326 2.430) 30.800 8.966 ( -4.026 16.930 -0.423) 17.407 8.966 ( -4.026 16.930 0.423) 17.407 9.263 ( 4.169 19.843 -3.482) 20.573 9.263 ( 4.169 19.843 3.482) 20.573 9.423 ( -5.736 5.659 -4.188) 9.081 9.423 ( -5.736 5.659 4.188) 9.081 10.082 ( 4.445 3.457 -0.533) 5.656 10.082 ( 4.445 3.457 0.533) 5.656 10.128 ( 3.357 5.602 -2.303) 6.925 10.128 ( 3.357 5.602 2.303) 6.925 10.305 ( -1.593 10.125 -1.103) 10.309 10.305 ( -1.593 10.125 1.103) 10.309 10.610 ( -0.318 -1.366 -1.406) 1.986 10.610 ( -0.318 -1.366 1.406) 1.986 10.783 ( 2.748 0.460 -5.894) 6.520 10.783 ( 2.748 0.460 5.894) 6.520 10.950 ( -1.312 4.666 -7.103) 8.599 10.950 ( -1.312 4.666 7.103) 8.599 11.268 ( 2.880 -1.047 -0.462) 3.099 11.268 ( 2.880 -1.047 0.462) 3.099 11.471 ( 2.492 4.218 -2.235) 5.385 11.471 ( 2.492 4.218 2.235) 5.385 11.761 ( -0.920 14.992 -1.368) 15.082 11.761 ( -0.920 14.992 1.368) 15.082 12.139 ( -1.898 5.589 -1.256) 6.034 12.139 ( -1.898 5.589 1.256) 6.034 12.321 ( 4.596 2.615 -7.180) 8.917 12.321 ( 4.596 2.615 7.180) 8.917 12.565 ( -7.377 1.811 -6.189) 9.798 12.565 ( -7.377 1.811 6.189) 9.798 12.663 ( -6.263 -1.331 -5.785) 8.629 12.663 ( -6.263 -1.331 5.785) 8.629 12.882 ( -2.050 8.169 -2.816) 8.880 12.882 ( -2.050 8.169 2.816) 8.880 13.357 ( 1.028 9.256 -1.337) 9.409 13.357 ( 1.028 9.256 1.337) 9.409 14.057 ( 8.228 -4.329 -2.740) 9.693 14.057 ( 8.228 -4.329 2.740) 9.693 14.424 ( -6.172 -15.692 -1.563) 16.935 14.424 ( -6.172 -15.692 1.563) 16.935 14.769 ( 0.306 -20.290 -0.545) 20.300 14.769 ( 0.306 -20.290 0.545) 20.300 16.682 ( 0.217 -13.224 -1.699) 13.334 16.682 ( 0.217 -13.224 1.699) 13.334 17.165 ( -0.933 -18.941 -0.862) 18.983 17.165 ( -0.933 -18.941 0.862) 18.983 17.564 ( 8.307 -13.165 -1.327) 15.623 17.564 ( 8.307 -13.165 1.327) 15.623 17.866 ( -6.608 -13.899 -3.018) 15.684 17.866 ( -6.608 -13.899 3.018) 15.684 ======================= Grid point 230 (73/81) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.431 ( 0.000 3.961 -1.657) 4.294 3.431 ( 0.000 3.961 1.657) 4.294 3.602 ( 0.000 1.501 -3.506) 3.813 3.602 ( 0.000 1.501 3.506) 3.813 3.927 ( 0.000 4.694 -1.389) 4.895 3.927 ( 0.000 4.694 1.389) 4.895 4.003 ( 0.000 0.046 -0.053) 0.071 4.003 ( 0.000 0.046 0.053) 0.071 5.371 ( 0.000 11.989 -2.658) 12.280 5.371 ( 0.000 11.989 2.658) 12.280 5.447 ( 0.000 12.225 -1.783) 12.354 5.447 ( 0.000 12.225 1.783) 12.354 6.063 ( 0.000 15.605 -1.678) 15.695 6.063 ( 0.000 15.605 1.678) 15.695 6.259 ( 0.000 10.153 -2.667) 10.497 6.259 ( 0.000 10.153 2.667) 10.497 6.447 ( 0.000 0.254 -6.910) 6.915 6.447 ( 0.000 0.254 6.910) 6.915 6.618 ( 0.000 8.433 -2.414) 8.772 6.618 ( 0.000 8.433 2.414) 8.772 6.728 ( 0.000 13.445 -0.218) 13.447 6.728 ( 0.000 13.445 0.218) 13.447 7.382 ( 0.000 -2.635 -2.264) 3.474 7.382 ( 0.000 -2.635 2.264) 3.474 7.670 ( 0.000 -9.181 -15.172) 17.733 7.670 ( 0.000 -9.181 15.172) 17.733 7.954 ( 0.000 -10.226 -1.062) 10.281 7.954 ( 0.000 -10.226 1.062) 10.281 8.037 ( 0.000 4.617 -2.219) 5.123 8.037 ( 0.000 4.617 2.219) 5.123 8.438 ( 0.000 -2.567 -2.779) 3.783 8.438 ( 0.000 -2.567 2.779) 3.783 8.906 ( 0.000 -3.866 -7.821) 8.724 8.906 ( 0.000 -3.866 7.821) 8.724 9.211 ( 0.000 -0.988 -7.604) 7.668 9.211 ( 0.000 -0.988 7.604) 7.668 9.522 ( 0.000 8.886 -2.036) 9.116 9.522 ( 0.000 8.886 2.036) 9.116 9.754 ( 0.000 12.342 -4.463) 13.124 9.754 ( 0.000 12.342 4.463) 13.124 9.819 ( 0.000 7.785 -3.317) 8.462 9.819 ( 0.000 7.785 3.317) 8.462 10.197 ( 0.000 16.374 -2.518) 16.567 10.197 ( 0.000 16.374 2.518) 16.567 10.633 ( 0.000 5.824 -2.127) 6.200 10.633 ( 0.000 5.824 2.127) 6.200 10.723 ( 0.000 6.198 -2.381) 6.640 10.723 ( 0.000 6.198 2.381) 6.640 10.904 ( 0.000 6.186 -0.720) 6.228 10.904 ( 0.000 6.186 0.720) 6.228 10.956 ( 0.000 6.507 -0.058) 6.507 10.956 ( 0.000 6.507 0.058) 6.507 11.120 ( 0.000 4.048 -1.922) 4.481 11.120 ( 0.000 4.048 1.922) 4.481 11.527 ( 0.000 9.212 -6.299) 11.159 11.527 ( 0.000 9.212 6.299) 11.159 12.157 ( 0.000 15.052 -2.950) 15.338 12.157 ( 0.000 15.052 2.950) 15.338 12.207 ( 0.000 -1.619 -0.557) 1.712 12.207 ( 0.000 -1.619 0.557) 1.712 12.366 ( 0.000 2.634 -3.845) 4.660 12.366 ( 0.000 2.634 3.845) 4.660 12.883 ( 0.000 3.573 -12.806) 13.295 12.883 ( 0.000 3.573 12.806) 13.295 12.894 ( 0.000 1.771 -17.140) 17.231 12.894 ( 0.000 1.771 17.140) 17.231 13.332 ( 0.000 12.658 -5.886) 13.960 13.332 ( 0.000 12.658 5.886) 13.960 13.449 ( 0.000 2.031 -7.052) 7.339 13.449 ( 0.000 2.031 7.052) 7.339 13.552 ( 0.000 3.845 -1.650) 4.184 13.552 ( 0.000 3.845 1.650) 4.184 14.319 ( 0.000 -17.379 -4.563) 17.968 14.319 ( 0.000 -17.379 4.563) 17.968 14.423 ( 0.000 -9.538 -1.935) 9.732 14.423 ( 0.000 -9.538 1.935) 9.732 16.490 ( 0.000 -8.913 -7.053) 11.366 16.490 ( 0.000 -8.913 7.053) 11.366 16.836 ( 0.000 -17.131 -0.844) 17.152 16.836 ( 0.000 -17.131 0.844) 17.152 17.044 ( 0.000 -12.833 -1.165) 12.886 17.044 ( 0.000 -12.833 1.165) 12.886 17.701 ( 0.000 -18.208 -3.045) 18.461 17.701 ( 0.000 -18.208 3.045) 18.461 ======================= Grid point 232 (74/81) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 1.914 3.688 -1.162) 4.315 3.454 ( 1.914 3.688 1.162) 4.315 3.598 ( -0.342 2.007 -3.441) 3.998 3.598 ( -0.342 2.007 3.441) 3.998 3.909 ( -0.887 3.627 -0.971) 3.858 3.909 ( -0.887 3.627 0.971) 3.858 4.005 ( -0.444 -1.322 -1.274) 1.889 4.005 ( -0.444 -1.322 1.274) 1.889 5.322 ( -3.932 13.357 -6.904) 15.541 5.322 ( -3.932 13.357 6.904) 15.541 5.444 ( -0.318 11.834 -7.037) 13.772 5.444 ( -0.318 11.834 7.037) 13.772 6.101 ( 2.731 13.494 -1.821) 13.887 6.101 ( 2.731 13.494 1.821) 13.887 6.203 ( -2.289 11.582 -0.593) 11.821 6.203 ( -2.289 11.582 0.593) 11.821 6.450 ( -1.293 11.327 -4.559) 12.278 6.450 ( -1.293 11.327 4.559) 12.278 6.640 ( 0.235 7.404 -6.814) 10.065 6.640 ( 0.235 7.404 6.814) 10.065 6.803 ( 7.835 5.265 -3.243) 9.981 6.803 ( 7.835 5.265 3.243) 9.981 7.364 ( -2.066 -4.133 -3.156) 5.596 7.364 ( -2.066 -4.133 3.156) 5.596 7.578 ( -6.037 -6.316 -12.264) 15.059 7.578 ( -6.037 -6.316 12.264) 15.059 7.934 ( -2.439 -6.649 -1.281) 7.197 7.934 ( -2.439 -6.649 1.281) 7.197 8.116 ( 6.230 1.256 -1.692) 6.576 8.116 ( 6.230 1.256 1.692) 6.576 8.426 ( -1.681 -3.553 -1.455) 4.191 8.426 ( -1.681 -3.553 1.455) 4.191 8.955 ( 4.375 -4.756 -8.815) 10.930 8.955 ( 4.375 -4.756 8.815) 10.930 9.188 ( -1.724 -3.187 -8.309) 9.065 9.188 ( -1.724 -3.187 8.309) 9.065 9.540 ( 0.637 10.668 -5.653) 12.090 9.540 ( 0.637 10.668 5.653) 12.090 9.692 ( -2.096 18.519 -2.064) 18.751 9.692 ( -2.096 18.519 2.064) 18.751 9.962 ( 9.806 5.806 -0.537) 11.408 9.962 ( 9.806 5.806 0.537) 11.408 10.235 ( 3.763 13.732 -1.701) 14.339 10.235 ( 3.763 13.732 1.701) 14.339 10.593 ( -3.723 8.556 -1.764) 9.496 10.593 ( -3.723 8.556 1.764) 9.496 10.734 ( 1.084 7.172 -2.635) 7.717 10.734 ( 1.084 7.172 2.635) 7.717 10.835 ( -6.308 2.191 -2.965) 7.307 10.835 ( -6.308 2.191 2.965) 7.307 10.986 ( 4.408 6.272 -4.673) 8.978 10.986 ( 4.408 6.272 4.673) 8.978 11.185 ( 3.965 2.152 -2.466) 5.141 11.185 ( 3.965 2.152 2.466) 5.141 11.559 ( 2.385 9.974 -6.078) 11.920 11.559 ( 2.385 9.974 6.078) 11.920 12.113 ( -3.826 10.282 -2.855) 11.336 12.113 ( -3.826 10.282 2.855) 11.336 12.201 ( -1.791 0.599 -2.902) 3.462 12.201 ( -1.791 0.599 2.902) 3.462 12.335 ( -0.795 2.047 -0.522) 2.257 12.335 ( -0.795 2.047 0.522) 2.257 12.796 ( -7.828 3.255 -11.272) 14.104 12.796 ( -7.828 3.255 11.272) 14.104 12.842 ( -4.640 4.681 -11.331) 13.108 12.842 ( -4.640 4.681 11.331) 13.108 13.185 ( -7.761 10.684 -4.368) 13.909 13.185 ( -7.761 10.684 4.368) 13.909 13.490 ( 3.880 8.883 -7.873) 12.488 13.490 ( 3.880 8.883 7.873) 12.488 13.749 ( 12.105 0.010 -1.439) 12.190 13.749 ( 12.105 0.010 1.439) 12.190 14.290 ( -3.059 -14.269 -3.156) 14.931 14.290 ( -3.059 -14.269 3.156) 14.931 14.409 ( -0.992 -12.399 -0.843) 12.467 14.409 ( -0.992 -12.399 0.843) 12.467 16.469 ( -1.414 -9.382 -4.925) 10.690 16.469 ( -1.414 -9.382 4.925) 10.690 16.827 ( -0.901 -17.397 -2.302) 17.572 16.827 ( -0.901 -17.397 2.302) 17.572 17.130 ( 7.385 -12.665 -1.107) 14.703 17.130 ( 7.385 -12.665 1.107) 14.703 17.663 ( -3.630 -17.665 -3.099) 18.298 17.663 ( -3.630 -17.665 3.099) 18.298 ======================= Grid point 234 (75/81) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 1.106 3.869 -0.248) 4.032 3.490 ( 1.106 3.869 0.248) 4.032 3.590 ( -0.321 2.337 -2.189) 3.219 3.590 ( -0.321 2.337 2.189) 3.219 3.913 ( 1.223 0.194 -0.417) 1.307 3.913 ( 1.223 0.194 0.417) 1.307 3.977 ( -1.824 -1.877 -1.446) 2.990 3.977 ( -1.824 -1.877 1.446) 2.990 5.250 ( -2.210 14.567 -2.642) 14.968 5.250 ( -2.210 14.567 2.642) 14.968 5.433 ( -0.525 12.306 -3.213) 12.730 5.433 ( -0.525 12.306 3.213) 12.730 6.118 ( -0.026 10.281 -1.350) 10.369 6.118 ( -0.026 10.281 1.350) 10.369 6.254 ( 5.499 15.929 -3.737) 17.261 6.254 ( 5.499 15.929 3.737) 17.261 6.376 ( -5.411 15.630 -4.617) 17.172 6.376 ( -5.411 15.630 4.617) 17.172 6.629 ( -0.583 10.991 -2.985) 11.404 6.629 ( -0.583 10.991 2.985) 11.404 7.000 ( 9.177 -4.427 -0.543) 10.203 7.000 ( 9.177 -4.427 0.543) 10.203 7.266 ( -6.810 -3.947 -0.711) 7.903 7.266 ( -6.810 -3.947 0.711) 7.903 7.508 ( -0.702 -2.708 -3.555) 4.524 7.508 ( -0.702 -2.708 3.555) 4.524 7.878 ( -2.037 -4.148 -0.520) 4.650 7.878 ( -2.037 -4.148 0.520) 4.650 8.246 ( 5.849 -1.023 -0.740) 5.984 8.246 ( 5.849 -1.023 0.740) 5.984 8.360 ( -4.381 -3.966 -1.124) 6.015 8.360 ( -4.381 -3.966 1.124) 6.015 9.056 ( 4.448 -6.140 -8.321) 11.257 9.056 ( 4.448 -6.140 8.321) 11.257 9.148 ( -2.239 -8.659 -7.869) 11.913 9.148 ( -2.239 -8.659 7.869) 11.913 9.521 ( -1.523 20.971 -4.004) 21.404 9.521 ( -1.523 20.971 4.004) 21.404 9.690 ( 0.828 19.758 -1.845) 19.861 9.690 ( 0.828 19.758 1.845) 19.861 10.164 ( 7.703 6.226 -0.658) 9.926 10.164 ( 7.703 6.226 0.658) 9.926 10.325 ( 3.279 10.442 -1.520) 11.049 10.325 ( 3.279 10.442 1.520) 11.049 10.523 ( -1.625 9.521 -1.651) 9.799 10.523 ( -1.625 9.521 1.651) 9.799 10.637 ( -6.700 3.272 -0.355) 7.465 10.637 ( -6.700 3.272 0.355) 7.465 10.843 ( 3.413 5.210 -2.039) 6.554 10.843 ( 3.413 5.210 2.039) 6.554 11.035 ( -0.213 1.879 -3.928) 4.360 11.035 ( -0.213 1.879 3.928) 4.360 11.264 ( 3.236 2.379 -1.702) 4.362 11.264 ( 3.236 2.379 1.702) 4.362 11.590 ( 0.173 7.977 -3.312) 8.639 11.590 ( 0.173 7.977 3.312) 8.639 12.037 ( -2.185 10.177 -2.284) 10.656 12.037 ( -2.185 10.177 2.284) 10.656 12.136 ( -2.800 -2.642 -3.619) 5.284 12.136 ( -2.800 -2.642 3.619) 5.284 12.391 ( 5.531 2.891 -2.703) 6.801 12.391 ( 5.531 2.891 2.703) 6.801 12.589 ( -10.030 1.004 -2.116) 10.299 12.589 ( -10.030 1.004 2.116) 10.299 12.758 ( -2.577 11.306 -2.883) 11.949 12.758 ( -2.577 11.306 2.883) 11.949 13.088 ( -1.994 11.609 -1.623) 11.890 13.088 ( -1.994 11.609 1.623) 11.890 13.555 ( 1.731 11.056 -2.803) 11.536 13.555 ( 1.731 11.056 2.803) 11.536 13.987 ( 10.369 -2.916 -1.826) 10.925 13.987 ( 10.369 -2.916 1.826) 10.925 14.183 ( -7.130 -9.073 -1.498) 11.636 14.183 ( -7.130 -9.073 1.498) 11.636 14.395 ( -0.303 -16.726 -0.291) 16.732 14.395 ( -0.303 -16.726 0.291) 16.732 16.449 ( -0.402 -10.081 -1.647) 10.223 16.449 ( -0.402 -10.081 1.647) 10.223 16.807 ( -0.715 -17.119 -1.179) 17.174 16.807 ( -0.715 -17.119 1.179) 17.174 17.297 ( 6.967 -13.522 -1.342) 15.270 17.297 ( 6.967 -13.522 1.342) 15.270 17.563 ( -4.949 -16.405 -2.276) 17.286 17.563 ( -4.949 -16.405 2.276) 17.286 ======================= Grid point 240 (76/81) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 0.000 1.073 -0.898) 1.400 3.475 ( 0.000 1.073 0.898) 1.400 3.626 ( 0.000 0.786 -1.956) 2.108 3.626 ( 0.000 0.786 1.956) 2.108 3.986 ( 0.000 1.638 -0.590) 1.741 3.986 ( 0.000 1.638 0.590) 1.741 4.005 ( 0.000 0.159 -0.075) 0.176 4.005 ( 0.000 0.159 0.075) 0.176 5.553 ( 0.000 6.369 -3.318) 7.181 5.553 ( 0.000 6.369 3.318) 7.181 5.646 ( 0.000 7.666 -3.955) 8.627 5.646 ( 0.000 7.666 3.955) 8.627 6.296 ( 0.000 3.791 -6.261) 7.319 6.296 ( 0.000 3.791 6.261) 7.319 6.385 ( 0.000 1.056 -3.146) 3.319 6.385 ( 0.000 1.056 3.146) 3.319 6.469 ( 0.000 9.732 -0.520) 9.746 6.469 ( 0.000 9.732 0.520) 9.746 6.755 ( 0.000 4.364 -3.985) 5.910 6.755 ( 0.000 4.364 3.985) 5.910 7.016 ( 0.000 14.017 -4.874) 14.840 7.016 ( 0.000 14.017 4.874) 14.840 7.355 ( 0.000 -5.025 -8.947) 10.262 7.355 ( 0.000 -5.025 8.947) 10.262 7.506 ( 0.000 -4.618 -2.545) 5.273 7.506 ( 0.000 -4.618 2.545) 5.273 7.753 ( 0.000 -4.880 -0.600) 4.917 7.753 ( 0.000 -4.880 0.600) 4.917 8.083 ( 0.000 -1.608 -4.032) 4.341 8.083 ( 0.000 -1.608 4.032) 4.341 8.414 ( 0.000 -0.717 -1.328) 1.509 8.414 ( 0.000 -0.717 1.328) 1.509 8.751 ( 0.000 -9.858 -6.809) 11.981 8.751 ( 0.000 -9.858 6.809) 11.981 8.915 ( 0.000 -14.712 -6.749) 16.186 8.915 ( 0.000 -14.712 6.749) 16.186 9.748 ( 0.000 8.476 -1.603) 8.626 9.748 ( 0.000 8.476 1.603) 8.626 9.901 ( 0.000 2.019 -1.804) 2.707 9.901 ( 0.000 2.019 1.804) 2.707 10.104 ( 0.000 14.562 -4.283) 15.179 10.104 ( 0.000 14.562 4.283) 15.179 10.446 ( 0.000 9.233 -4.062) 10.087 10.446 ( 0.000 9.233 4.062) 10.087 10.725 ( 0.000 4.698 -0.885) 4.780 10.725 ( 0.000 4.698 0.885) 4.780 10.806 ( 0.000 0.174 -0.177) 0.248 10.806 ( 0.000 0.174 0.177) 0.248 10.967 ( 0.000 4.715 -3.088) 5.636 10.967 ( 0.000 4.715 3.088) 5.636 11.114 ( 0.000 5.114 -0.231) 5.119 11.114 ( 0.000 5.114 0.231) 5.119 11.224 ( 0.000 5.041 -1.755) 5.338 11.224 ( 0.000 5.041 1.755) 5.338 11.714 ( 0.000 9.076 -4.876) 10.303 11.714 ( 0.000 9.076 4.876) 10.303 12.115 ( 0.000 -6.480 -1.450) 6.640 12.115 ( 0.000 -6.480 1.450) 6.640 12.268 ( 0.000 -3.651 -2.072) 4.198 12.268 ( 0.000 -3.651 2.072) 4.198 12.440 ( 0.000 5.698 -0.050) 5.698 12.440 ( 0.000 5.698 0.050) 5.698 12.951 ( 0.000 4.861 -0.798) 4.926 12.951 ( 0.000 4.861 0.798) 4.926 13.037 ( 0.000 9.167 -5.098) 10.489 13.037 ( 0.000 9.167 5.098) 10.489 13.468 ( 0.000 1.055 -12.855) 12.899 13.468 ( 0.000 1.055 12.855) 12.899 13.539 ( 0.000 6.750 -8.212) 10.630 13.539 ( 0.000 6.750 8.212) 10.630 13.680 ( 0.000 4.804 -2.392) 5.367 13.680 ( 0.000 4.804 2.392) 5.367 14.095 ( 0.000 -3.613 -9.239) 9.920 14.095 ( 0.000 -3.613 9.239) 9.920 14.269 ( 0.000 -6.537 -0.688) 6.573 14.269 ( 0.000 -6.537 0.688) 6.573 16.356 ( 0.000 -4.443 -3.576) 5.703 16.356 ( 0.000 -4.443 3.576) 5.703 16.546 ( 0.000 -11.164 -0.301) 11.168 16.546 ( 0.000 -11.164 0.301) 11.168 16.824 ( 0.000 -8.739 -0.530) 8.755 16.824 ( 0.000 -8.739 0.530) 8.755 17.365 ( 0.000 -14.475 -1.313) 14.534 17.365 ( 0.000 -14.475 1.313) 14.534 ======================= Grid point 242 (77/81) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 1.984 1.128 -0.771) 2.409 3.498 ( 1.984 1.128 0.771) 2.409 3.625 ( -0.183 0.756 -2.006) 2.151 3.625 ( -0.183 0.756 2.006) 2.151 3.954 ( -2.413 1.340 -0.994) 2.934 3.954 ( -2.413 1.340 0.994) 2.934 3.985 ( -1.890 -0.731 -1.274) 2.394 3.985 ( -1.890 -0.731 1.274) 2.394 5.544 ( -1.120 8.832 -3.861) 9.704 5.544 ( -1.120 8.832 3.861) 9.704 5.637 ( -0.278 7.377 -4.669) 8.734 5.637 ( -0.278 7.377 4.669) 8.734 6.264 ( -1.039 4.250 -5.339) 6.902 6.264 ( -1.039 4.250 5.339) 6.902 6.442 ( -0.051 5.984 -1.928) 6.287 6.442 ( -0.051 5.984 1.928) 6.287 6.513 ( 6.978 2.021 -2.090) 7.559 6.513 ( 6.978 2.021 2.090) 7.559 6.744 ( -0.787 5.829 -3.655) 6.925 6.744 ( -0.787 5.829 3.655) 6.925 7.030 ( 0.667 12.172 -2.623) 12.469 7.030 ( 0.667 12.172 2.623) 12.469 7.282 ( -4.959 -5.518 -5.234) 9.079 7.282 ( -4.959 -5.518 5.234) 9.079 7.512 ( 0.169 0.692 -2.637) 2.731 7.512 ( 0.169 0.692 2.637) 2.731 7.785 ( 1.881 -4.840 -0.459) 5.213 7.785 ( 1.881 -4.840 0.459) 5.213 8.106 ( 2.200 -3.560 -3.653) 5.555 8.106 ( 2.200 -3.560 3.653) 5.555 8.373 ( -3.746 -2.817 -1.012) 4.794 8.373 ( -3.746 -2.817 1.012) 4.794 8.781 ( 2.622 -10.004 -7.240) 12.624 8.781 ( 2.622 -10.004 7.240) 12.624 8.914 ( -0.239 -13.261 -6.904) 14.953 8.914 ( -0.239 -13.261 6.904) 14.953 9.797 ( 4.213 9.872 -2.236) 10.964 9.797 ( 4.213 9.872 2.236) 10.964 9.976 ( 5.213 6.456 -1.711) 8.472 9.976 ( 5.213 6.456 1.711) 8.472 10.117 ( 2.930 9.307 -1.889) 9.939 10.117 ( 2.930 9.307 1.889) 9.939 10.446 ( 0.448 8.079 -2.542) 8.482 10.446 ( 0.448 8.079 2.542) 8.482 10.728 ( -0.571 5.513 -1.744) 5.810 10.728 ( -0.571 5.513 1.744) 5.810 10.835 ( 1.117 -1.254 -1.948) 2.572 10.835 ( 1.117 -1.254 1.948) 2.572 10.889 ( -5.651 7.188 -0.312) 9.149 10.889 ( -5.651 7.188 0.312) 9.149 11.056 ( -3.301 0.556 -1.195) 3.555 11.056 ( -3.301 0.556 1.195) 3.555 11.288 ( 4.789 6.619 -3.344) 8.827 11.288 ( 4.789 6.619 3.344) 8.827 11.760 ( 2.312 9.344 -4.937) 10.818 11.760 ( 2.312 9.344 4.937) 10.818 12.059 ( -4.128 -7.159 -0.707) 8.294 12.059 ( -4.128 -7.159 0.707) 8.294 12.233 ( -2.655 -2.512 -0.976) 3.784 12.233 ( -2.655 -2.512 0.976) 3.784 12.432 ( -0.178 6.097 -0.868) 6.161 12.432 ( -0.178 6.097 0.868) 6.161 12.847 ( -9.148 3.321 -3.954) 10.505 12.847 ( -9.148 3.321 3.954) 10.505 13.030 ( -0.767 11.271 -4.294) 12.086 13.030 ( -0.767 11.271 4.294) 12.086 13.351 ( -5.442 4.713 -6.462) 9.674 13.351 ( -5.442 4.713 6.462) 9.674 13.649 ( 6.492 6.220 -10.978) 14.191 13.649 ( 6.492 6.220 10.978) 14.191 13.794 ( 8.153 1.612 -2.565) 8.698 13.794 ( 8.153 1.612 2.565) 8.698 14.069 ( -2.350 -4.580 -9.295) 10.625 14.069 ( -2.350 -4.580 9.295) 10.625 14.244 ( -2.339 -5.975 -1.176) 6.524 14.244 ( -2.339 -5.975 1.176) 6.524 16.335 ( -1.556 -3.756 -2.640) 4.847 16.335 ( -1.556 -3.756 2.640) 4.847 16.528 ( -1.177 -12.211 -2.098) 12.446 16.528 ( -1.177 -12.211 2.098) 12.446 16.910 ( 7.051 -8.666 -0.669) 11.192 16.910 ( 7.051 -8.666 0.669) 11.192 17.336 ( -2.837 -14.141 -1.525) 14.503 17.336 ( -2.837 -14.141 1.525) 14.503 ======================= Grid point 244 (78/81) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 1.951 1.817 -0.703) 2.757 3.544 ( 1.951 1.817 0.703) 2.757 3.613 ( -0.859 0.256 -1.539) 1.781 3.613 ( -0.859 0.256 1.539) 1.781 3.913 ( -1.069 0.037 -0.628) 1.241 3.913 ( -1.069 0.037 0.628) 1.241 3.944 ( -1.486 -1.425 -0.960) 2.272 3.944 ( -1.486 -1.425 0.960) 2.272 5.515 ( -1.086 12.004 -1.086) 12.102 5.515 ( -1.086 12.004 1.086) 12.102 5.639 ( 0.199 7.781 -1.860) 8.003 5.639 ( 0.199 7.781 1.860) 8.003 6.258 ( 0.181 4.604 -3.259) 5.644 6.258 ( 0.181 4.604 3.259) 5.644 6.441 ( -0.022 -1.034 -0.573) 1.182 6.441 ( -0.022 -1.034 0.573) 1.182 6.633 ( 3.398 8.856 -0.296) 9.490 6.633 ( 3.398 8.856 0.296) 9.490 6.734 ( -0.507 5.975 -1.075) 6.092 6.734 ( -0.507 5.975 1.075) 6.092 7.052 ( 2.383 6.339 -0.552) 6.795 7.052 ( 2.383 6.339 0.552) 6.795 7.186 ( -4.282 -3.497 -0.395) 5.542 7.186 ( -4.282 -3.497 0.395) 5.542 7.517 ( 0.334 4.879 -1.417) 5.092 7.517 ( 0.334 4.879 1.417) 5.092 7.804 ( 0.114 -2.226 -0.491) 2.282 7.804 ( 0.114 -2.226 0.491) 2.282 8.170 ( 3.728 -6.597 -2.406) 7.950 8.170 ( 3.728 -6.597 2.406) 7.950 8.279 ( -4.589 -5.456 -0.782) 7.172 8.279 ( -4.589 -5.456 0.782) 7.172 8.838 ( 2.204 -10.888 -5.807) 12.535 8.838 ( 2.204 -10.888 5.807) 12.535 8.902 ( -0.814 -11.088 -5.512) 12.409 8.902 ( -0.814 -11.088 5.512) 12.409 9.883 ( 2.903 13.271 -2.307) 13.779 9.883 ( 2.903 13.271 2.307) 13.779 10.014 ( -0.242 11.527 -1.302) 11.603 10.014 ( -0.242 11.527 1.302) 11.603 10.293 ( 11.098 5.214 -0.974) 12.300 10.293 ( 11.098 5.214 0.974) 12.300 10.466 ( -0.254 4.726 -1.382) 4.930 10.466 ( -0.254 4.726 1.382) 4.930 10.666 ( -4.144 5.099 -1.818) 6.817 10.666 ( -4.144 5.099 1.818) 6.817 10.715 ( -5.531 3.384 -1.778) 6.723 10.715 ( -5.531 3.384 1.778) 6.723 10.912 ( 0.842 1.409 -0.978) 1.911 10.912 ( 0.842 1.409 0.978) 1.911 11.000 ( -1.035 -3.878 -0.758) 4.085 11.000 ( -1.035 -3.878 0.758) 4.085 11.399 ( 4.848 9.644 -3.604) 11.379 11.399 ( 4.848 9.644 3.604) 11.379 11.725 ( -4.268 3.397 -3.860) 6.683 11.725 ( -4.268 3.397 3.860) 6.683 12.042 ( 2.190 -1.649 -2.996) 4.060 12.042 ( 2.190 -1.649 2.996) 4.060 12.170 ( -2.985 -0.020 -2.335) 3.790 12.170 ( -2.985 -0.020 2.335) 3.790 12.469 ( 4.575 4.578 -1.075) 6.561 12.469 ( 4.575 4.578 1.075) 6.561 12.629 ( -10.275 3.167 -3.123) 11.196 12.629 ( -10.275 3.167 3.123) 11.196 13.013 ( -0.640 13.100 -1.427) 13.193 13.013 ( -0.640 13.100 1.427) 13.193 13.279 ( -1.598 5.787 -2.021) 6.335 13.279 ( -1.598 5.787 2.021) 6.335 13.771 ( 4.202 8.611 -6.440) 11.545 13.771 ( 4.202 8.611 6.440) 11.545 13.945 ( 5.424 -1.381 -2.034) 5.955 13.945 ( 5.424 -1.381 2.034) 5.955 14.010 ( -2.742 -7.177 -6.986) 10.384 14.010 ( -2.742 -7.177 6.986) 10.384 14.183 ( -2.824 -4.905 -1.471) 5.848 14.183 ( -2.824 -4.905 1.471) 5.848 16.310 ( -0.628 -3.422 -0.898) 3.594 16.310 ( -0.628 -3.422 0.898) 3.594 16.510 ( -0.488 -12.561 -1.001) 12.610 16.510 ( -0.488 -12.561 1.001) 12.610 17.064 ( 6.452 -9.075 -0.953) 11.175 17.064 ( 6.452 -9.075 0.953) 11.175 17.254 ( -4.406 -13.642 -1.371) 14.401 17.254 ( -4.406 -13.642 1.371) 14.401 ======================= Grid point 250 (79/81) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 0.000 0.000 -0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 -0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 -0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 5.617 ( 0.000 0.000 -0.000) 0.000 5.617 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 -0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 -0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 -0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 -0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 -0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 -0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 -0.000 -0.000) 0.000 7.905 ( 0.000 -0.000 0.000) 0.000 7.925 ( 0.000 0.000 -0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 -0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 -0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 -0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 -0.000 -0.000) 0.000 9.859 ( 0.000 -0.000 0.000) 0.000 9.885 ( 0.000 0.000 -0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 -0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 -0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 -0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.783 ( 0.000 0.000 -0.000) 0.000 10.783 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 -0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 -0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 -0.000) 0.000 11.838 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.493 ( 0.000 0.000 -0.000) 0.000 12.493 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 -0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 -0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 -0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.725 ( 0.000 0.000 -0.000) 0.000 13.725 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 -0.000) 0.000 14.109 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 -0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 16.311 ( 0.000 0.000 -0.000) 0.000 16.311 ( 0.000 0.000 0.000) 0.000 16.435 ( 0.000 0.000 -0.000) 0.000 16.435 ( 0.000 0.000 0.000) 0.000 16.733 ( 0.000 0.000 0.000) 0.000 16.733 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 -0.000) 0.000 17.206 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 254 (80/81) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 2.120 0.000 -0.000) 2.120 3.508 ( 2.120 0.000 0.000) 2.120 3.631 ( -0.291 0.000 -0.000) 0.291 3.631 ( -0.291 0.000 0.000) 0.291 3.970 ( -2.997 0.000 -0.000) 2.997 3.970 ( -2.997 0.000 0.000) 2.997 3.975 ( -2.281 0.000 -0.000) 2.281 3.975 ( -2.281 0.000 0.000) 2.281 5.640 ( 1.938 0.000 -0.000) 1.938 5.640 ( 1.938 0.000 0.000) 1.938 5.713 ( -1.008 0.000 -0.000) 1.008 5.713 ( -1.008 0.000 0.000) 1.008 6.305 ( 0.216 0.000 -0.000) 0.216 6.305 ( 0.215 0.000 0.000) 0.215 6.406 ( 0.250 0.000 -0.000) 0.250 6.406 ( 0.250 0.000 0.000) 0.250 6.637 ( 0.937 0.000 -0.000) 0.937 6.637 ( 0.937 0.000 0.000) 0.937 6.793 ( 2.083 0.000 -0.000) 2.083 6.793 ( 2.083 0.000 0.000) 2.083 7.166 ( -5.093 0.000 -0.000) 5.093 7.166 ( -5.093 0.000 0.000) 5.093 7.221 ( -1.172 0.000 -0.000) 1.172 7.221 ( -1.172 0.000 0.000) 1.172 7.480 ( 7.092 0.000 -0.000) 7.092 7.480 ( 7.092 0.000 0.000) 7.092 7.889 ( -3.502 -0.000 -0.000) 3.502 7.889 ( -3.502 -0.000 0.000) 3.502 7.946 ( 3.815 0.000 -0.000) 3.815 7.946 ( 3.815 0.000 0.000) 3.815 8.326 ( -5.236 0.000 -0.000) 5.236 8.326 ( -5.236 0.000 0.000) 5.236 8.676 ( 2.699 0.000 -0.000) 2.699 8.676 ( 2.699 0.000 0.000) 2.699 8.784 ( 0.554 0.000 -0.000) 0.554 8.784 ( 0.554 0.000 0.000) 0.554 9.909 ( 4.541 0.000 -0.000) 4.541 9.909 ( 4.541 0.000 0.000) 4.541 10.003 ( 10.436 0.000 -0.000) 10.436 10.003 ( 10.436 0.000 0.000) 10.436 10.224 ( -1.699 0.000 -0.000) 1.699 10.224 ( -1.699 0.000 0.000) 1.699 10.542 ( -0.894 0.000 -0.000) 0.894 10.542 ( -0.894 0.000 0.000) 0.894 10.792 ( 0.442 -0.000 -0.000) 0.442 10.792 ( 0.442 -0.000 0.000) 0.442 10.797 ( 0.402 0.000 -0.000) 0.402 10.797 ( 0.402 0.000 0.000) 0.402 10.999 ( -3.622 0.000 -0.000) 3.622 10.999 ( -3.622 0.000 0.000) 3.622 11.031 ( -8.264 0.000 -0.000) 8.264 11.031 ( -8.264 0.000 0.000) 8.264 11.366 ( 6.813 0.000 -0.000) 6.813 11.366 ( 6.813 0.000 0.000) 6.813 11.912 ( -8.242 0.000 -0.000) 8.242 11.912 ( -8.242 0.000 0.000) 8.242 11.919 ( 6.429 -0.000 -0.000) 6.429 11.919 ( 6.429 -0.000 0.000) 6.429 12.198 ( -2.015 0.000 -0.000) 2.015 12.198 ( -2.015 0.000 0.000) 2.015 12.488 ( -0.067 0.000 -0.000) 0.067 12.488 ( -0.067 0.000 0.000) 0.067 12.891 ( -9.846 0.000 -0.000) 9.846 12.891 ( -9.846 0.000 0.000) 9.846 13.190 ( 1.604 0.000 -0.000) 1.604 13.190 ( 1.604 0.000 0.000) 1.604 13.355 ( -4.902 0.000 0.000) 4.902 13.355 ( -4.902 0.000 0.000) 4.902 13.711 ( 6.085 0.000 -0.000) 6.085 13.711 ( 6.085 0.000 0.000) 6.085 13.792 ( 5.212 0.000 -0.000) 5.212 13.792 ( 5.212 0.000 0.000) 5.212 14.089 ( -1.714 0.000 -0.000) 1.714 14.089 ( -1.714 0.000 0.000) 1.714 14.159 ( -1.935 0.000 -0.000) 1.935 14.159 ( -1.935 0.000 0.000) 1.935 16.314 ( 0.199 0.000 -0.000) 0.199 16.314 ( 0.199 0.000 0.000) 0.199 16.389 ( -3.085 0.000 -0.000) 3.085 16.389 ( -3.085 0.000 0.000) 3.085 16.821 ( 6.953 0.000 -0.000) 6.953 16.821 ( 6.953 0.000 0.000) 6.953 17.180 ( -2.537 0.000 -0.000) 2.537 17.180 ( -2.537 0.000 0.000) 2.537 ======================= Grid point 258 (81/81) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 2.867 0.000 -0.000) 2.867 3.563 ( 2.867 0.000 0.000) 2.867 3.613 ( -1.680 0.000 -0.000) 1.680 3.613 ( -1.680 0.000 0.000) 1.680 3.917 ( -1.326 0.000 -0.000) 1.326 3.917 ( -1.326 0.000 0.000) 1.326 3.926 ( -1.881 0.000 -0.000) 1.881 3.926 ( -1.881 0.000 0.000) 1.881 5.678 ( 1.304 0.000 -0.000) 1.304 5.678 ( 1.304 0.000 0.000) 1.304 5.695 ( -0.650 0.000 0.000) 0.650 5.695 ( -0.650 0.000 0.000) 0.650 6.313 ( 1.194 0.000 -0.000) 1.194 6.313 ( 1.194 0.000 0.000) 1.194 6.365 ( -3.322 0.000 0.000) 3.322 6.365 ( -3.322 0.000 0.000) 3.322 6.724 ( 6.457 0.000 -0.000) 6.457 6.724 ( 6.457 0.000 0.000) 6.457 6.827 ( -1.325 0.000 0.000) 1.325 6.827 ( -1.325 0.000 0.000) 1.325 7.095 ( 0.238 0.000 0.000) 0.238 7.095 ( 0.238 0.000 0.000) 0.238 7.165 ( -4.201 0.000 0.000) 4.201 7.165 ( -4.201 0.000 0.000) 4.201 7.635 ( 7.581 0.000 -0.000) 7.581 7.635 ( 7.581 0.000 0.000) 7.581 7.783 ( -6.431 0.000 -0.000) 6.431 7.783 ( -6.431 0.000 0.000) 6.431 8.055 ( 6.366 0.000 -0.000) 6.366 8.055 ( 6.366 0.000 0.000) 6.366 8.196 ( -6.888 0.000 0.000) 6.888 8.196 ( -6.888 0.000 0.000) 6.888 8.738 ( 2.823 0.000 -0.000) 2.823 8.738 ( 2.823 0.000 0.000) 2.823 8.780 ( -1.120 0.000 -0.000) 1.120 8.780 ( -1.120 0.000 0.000) 1.120 10.024 ( 5.814 0.000 -0.000) 5.814 10.024 ( 5.814 0.000 0.000) 5.814 10.120 ( -2.651 0.000 -0.000) 2.651 10.120 ( -2.651 0.000 0.000) 2.651 10.339 ( 14.286 0.000 0.000) 14.286 10.339 ( 14.286 0.000 0.000) 14.286 10.528 ( -1.416 0.000 -0.000) 1.416 10.528 ( -1.416 0.000 0.000) 1.416 10.726 ( -5.787 0.000 -0.000) 5.787 10.726 ( -5.787 0.000 0.000) 5.787 10.733 ( -6.860 -0.000 -0.000) 6.860 10.733 ( -6.860 -0.000 0.000) 6.860 10.934 ( -0.780 -0.000 -0.000) 0.780 10.934 ( -0.780 -0.000 0.000) 0.780 10.939 ( -0.855 0.000 -0.000) 0.855 10.939 ( -0.855 0.000 0.000) 0.855 11.534 ( 8.844 0.000 -0.000) 8.844 11.534 ( 8.844 0.000 0.000) 8.844 11.720 ( -9.263 0.000 -0.000) 9.263 11.720 ( -9.263 0.000 0.000) 9.263 12.051 ( 5.571 0.000 -0.000) 5.571 12.051 ( 5.571 0.000 0.000) 5.571 12.143 ( -3.402 0.000 -0.000) 3.402 12.143 ( -3.402 0.000 0.000) 3.402 12.520 ( 4.022 0.000 -0.000) 4.022 12.520 ( 4.022 0.000 0.000) 4.022 12.671 ( -10.051 0.000 -0.000) 10.051 12.671 ( -10.051 0.000 0.000) 10.051 13.222 ( 1.636 -0.000 -0.000) 1.636 13.222 ( 1.636 -0.000 0.000) 1.636 13.269 ( -3.154 0.000 -0.000) 3.154 13.269 ( -3.154 0.000 0.000) 3.154 13.831 ( 4.894 0.000 -0.000) 4.894 13.831 ( 4.894 0.000 0.000) 4.894 13.878 ( 1.432 0.000 -0.000) 1.432 13.878 ( 1.432 0.000 0.000) 1.432 14.061 ( 0.077 0.000 -0.000) 0.077 14.061 ( 0.077 0.000 0.000) 0.077 14.105 ( -3.071 -0.000 -0.000) 3.071 14.105 ( -3.071 -0.000 0.000) 3.071 16.320 ( 0.493 0.000 -0.000) 0.493 16.320 ( 0.493 0.000 0.000) 0.493 16.339 ( -1.554 0.000 -0.000) 1.554 16.339 ( -1.554 0.000 0.000) 1.554 16.973 ( 7.088 0.000 -0.000) 7.088 16.973 ( 7.088 0.000 0.000) 7.088 17.101 ( -5.067 0.000 -0.000) 5.067 17.101 ( -5.067 0.000 0.000) 5.067 =================== 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 3/26880 10.0 6637.376 8467.496 3454.927 0.000 0.000 0.000 3/26880 20.0 2003.404 2396.440 1728.949 0.000 0.000 -0.000 3/26880 30.0 629.926 819.030 576.323 0.000 0.000 -0.000 3/26880 40.0 259.752 371.725 246.409 0.000 0.000 -0.000 3/26880 50.0 134.211 210.241 130.452 0.000 0.000 -0.000 3/26880 60.0 80.346 135.971 79.319 0.000 0.000 -0.000 3/26880 70.0 53.196 96.002 53.005 0.000 0.000 -0.000 3/26880 80.0 37.918 72.181 37.976 0.000 0.000 -0.000 3/26880 90.0 28.597 56.897 28.711 0.000 0.000 -0.000 3/26880 100.0 22.538 46.513 22.647 0.000 0.000 -0.000 3/26880 110.0 18.392 39.121 18.479 0.000 0.000 -0.000 3/26880 120.0 15.431 33.655 15.494 0.000 0.000 -0.000 3/26880 130.0 13.240 29.482 13.281 0.000 0.000 -0.000 3/26880 140.0 11.568 26.211 11.591 0.000 0.000 -0.000 3/26880 150.0 10.260 23.587 10.269 0.000 0.000 -0.000 3/26880 160.0 9.213 21.442 9.210 0.000 0.000 -0.000 3/26880 170.0 8.358 19.658 8.348 0.000 0.000 -0.000 3/26880 180.0 7.650 18.154 7.633 0.000 0.000 -0.000 3/26880 190.0 7.054 16.870 7.031 0.000 0.000 -0.000 3/26880 200.0 6.546 15.760 6.519 0.000 0.000 -0.000 3/26880 210.0 6.108 14.793 6.079 0.000 0.000 -0.000 3/26880 220.0 5.727 13.942 5.695 0.000 0.000 -0.000 3/26880 230.0 5.393 13.187 5.359 0.000 0.000 -0.000 3/26880 240.0 5.097 12.513 5.061 0.000 0.000 -0.000 3/26880 250.0 4.833 11.908 4.796 0.000 0.000 -0.000 3/26880 260.0 4.596 11.361 4.559 0.000 0.000 -0.000 3/26880 270.0 4.383 10.865 4.345 0.000 0.000 -0.000 3/26880 280.0 4.189 10.412 4.151 0.000 0.000 -0.000 3/26880 290.0 4.012 9.996 3.974 0.000 0.000 -0.000 3/26880 300.0 3.851 9.614 3.813 0.000 0.000 -0.000 3/26880 310.0 3.702 9.262 3.664 0.000 0.000 -0.000 3/26880 320.0 3.566 8.935 3.528 0.000 0.000 -0.000 3/26880 330.0 3.439 8.632 3.401 0.000 0.000 -0.000 3/26880 340.0 3.321 8.349 3.284 0.000 0.000 -0.000 3/26880 350.0 3.212 8.085 3.175 0.000 0.000 -0.000 3/26880 360.0 3.110 7.837 3.073 0.000 0.000 -0.000 3/26880 370.0 3.014 7.605 2.977 0.000 0.000 -0.000 3/26880 380.0 2.924 7.387 2.888 0.000 0.000 -0.000 3/26880 390.0 2.840 7.181 2.804 0.000 0.000 -0.000 3/26880 400.0 2.761 6.987 2.725 0.000 0.000 -0.000 3/26880 410.0 2.686 6.804 2.651 0.000 0.000 -0.000 3/26880 420.0 2.615 6.630 2.581 0.000 0.000 -0.000 3/26880 430.0 2.548 6.465 2.514 0.000 0.000 -0.000 3/26880 440.0 2.484 6.308 2.451 0.000 0.000 -0.000 3/26880 450.0 2.424 6.159 2.391 0.000 0.000 -0.000 3/26880 460.0 2.367 6.017 2.334 0.000 0.000 -0.000 3/26880 470.0 2.312 5.881 2.280 0.000 0.000 -0.000 3/26880 480.0 2.260 5.752 2.228 0.000 0.000 -0.000 3/26880 490.0 2.210 5.628 2.179 0.000 0.000 -0.000 3/26880 500.0 2.163 5.510 2.132 0.000 0.000 -0.000 3/26880 510.0 2.117 5.397 2.087 0.000 0.000 -0.000 3/26880 520.0 2.074 5.288 2.044 0.000 0.000 -0.000 3/26880 530.0 2.032 5.184 2.002 0.000 0.000 -0.000 3/26880 540.0 1.992 5.084 1.963 0.000 0.000 -0.000 3/26880 550.0 1.953 4.987 1.924 0.000 0.000 -0.000 3/26880 560.0 1.916 4.895 1.888 0.000 0.000 -0.000 3/26880 570.0 1.881 4.805 1.853 0.000 0.000 -0.000 3/26880 580.0 1.847 4.719 1.819 0.000 0.000 -0.000 3/26880 590.0 1.814 4.636 1.786 0.000 0.000 -0.000 3/26880 600.0 1.782 4.557 1.755 0.000 0.000 -0.000 3/26880 610.0 1.751 4.479 1.724 0.000 0.000 -0.000 3/26880 620.0 1.721 4.405 1.695 0.000 0.000 -0.000 3/26880 630.0 1.693 4.333 1.667 0.000 0.000 -0.000 3/26880 640.0 1.665 4.263 1.640 0.000 0.000 -0.000 3/26880 650.0 1.638 4.195 1.613 0.000 0.000 -0.000 3/26880 660.0 1.613 4.130 1.588 0.000 0.000 -0.000 3/26880 670.0 1.587 4.066 1.563 0.000 0.000 -0.000 3/26880 680.0 1.563 4.005 1.539 0.000 0.000 -0.000 3/26880 690.0 1.540 3.946 1.516 0.000 0.000 -0.000 3/26880 700.0 1.517 3.888 1.493 0.000 0.000 -0.000 3/26880 710.0 1.495 3.832 1.471 0.000 0.000 -0.000 3/26880 720.0 1.473 3.777 1.450 0.000 0.000 -0.000 3/26880 730.0 1.452 3.724 1.429 0.000 0.000 -0.000 3/26880 740.0 1.432 3.673 1.409 0.000 0.000 -0.000 3/26880 750.0 1.412 3.623 1.390 0.000 0.000 -0.000 3/26880 760.0 1.393 3.574 1.371 0.000 0.000 -0.000 3/26880 770.0 1.374 3.527 1.352 0.000 0.000 -0.000 3/26880 780.0 1.356 3.480 1.335 0.000 0.000 -0.000 3/26880 790.0 1.339 3.436 1.317 0.000 0.000 -0.000 3/26880 800.0 1.321 3.392 1.300 0.000 0.000 -0.000 3/26880 810.0 1.305 3.349 1.284 0.000 0.000 -0.000 3/26880 820.0 1.288 3.308 1.267 0.000 0.000 -0.000 3/26880 830.0 1.272 3.267 1.252 0.000 0.000 -0.000 3/26880 840.0 1.257 3.227 1.236 0.000 0.000 -0.000 3/26880 850.0 1.242 3.189 1.221 0.000 0.000 -0.000 3/26880 860.0 1.227 3.151 1.207 0.000 0.000 -0.000 3/26880 870.0 1.212 3.114 1.193 0.000 0.000 -0.000 3/26880 880.0 1.198 3.078 1.179 0.000 0.000 -0.000 3/26880 890.0 1.184 3.043 1.165 0.000 0.000 -0.000 3/26880 900.0 1.171 3.009 1.152 0.000 0.000 -0.000 3/26880 910.0 1.158 2.975 1.139 0.000 0.000 -0.000 3/26880 920.0 1.145 2.943 1.126 0.000 0.000 -0.000 3/26880 930.0 1.132 2.910 1.114 0.000 0.000 -0.000 3/26880 940.0 1.120 2.879 1.102 0.000 0.000 -0.000 3/26880 950.0 1.108 2.848 1.090 0.000 0.000 -0.000 3/26880 960.0 1.096 2.818 1.078 0.000 0.000 -0.000 3/26880 970.0 1.085 2.789 1.067 0.000 0.000 -0.000 3/26880 980.0 1.074 2.760 1.056 0.000 0.000 -0.000 3/26880 990.0 1.062 2.732 1.045 0.000 0.000 -0.000 3/26880 1000.0 1.052 2.704 1.034 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5164.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:17:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|