----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:23:49]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 5.811690000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.841821530000000 Atomic positions (fractional): *1 P 0.57899880521157 0.62283588091583 0.28830927060584 30.974 2 P 0.42100119478843 0.62283588091583 0.21169072939416 30.974 3 P 0.92100119478843 0.87716411908417 0.78830927060584 30.974 4 P 0.07899880521157 0.87716411908417 0.71169072939416 30.974 5 P 0.42100119478843 0.37716411908417 0.71169072939416 30.974 6 P 0.57899880521157 0.37716411908417 0.78830927060584 30.974 7 P 0.07899880521157 0.12283588091583 0.21169072939416 30.974 8 P 0.92100119478843 0.12283588091583 0.28830927060584 30.974 *9 Se 0.84308160396401 0.36677930611395 0.04037023891360 78.960 10 Se 0.15691839603598 0.36677930611395 0.45962976108640 78.960 11 Se 0.65691839603599 0.13322069388605 0.54037023891360 78.960 12 Se 0.34308160396401 0.13322069388605 0.95962976108640 78.960 13 Se 0.15691839603598 0.63322069388605 0.95962976108640 78.960 14 Se 0.84308160396401 0.63322069388605 0.54037023891360 78.960 15 Se 0.34308160396401 0.86677930611395 0.45962976108640 78.960 16 Se 0.65691839603599 0.86677930611395 0.04037023891360 78.960 *17 Pd 0.89068074964386 0.75887172955256 0.15569538936403 106.420 18 Pd 0.10931925035614 0.75887172955256 0.34430461063597 106.420 19 Pd 0.60931925035614 0.74112827044744 0.65569538936403 106.420 20 Pd 0.39068074964386 0.74112827044744 0.84430461063597 106.420 21 Pd 0.10931925035614 0.24112827044744 0.84430461063597 106.420 22 Pd 0.89068074964386 0.24112827044744 0.65569538936403 106.420 23 Pd 0.39068074964386 0.25887172955256 0.34430461063597 106.420 24 Pd 0.60931925035614 0.25887172955256 0.15569538936403 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 5.811690000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.841821530000000 Atomic positions (fractional): *1 P 0.57899880521157 0.62283588091583 0.28830927060584 30.974 > 1 2 P 0.42100119478843 0.62283588091583 0.21169072939416 30.974 > 2 3 P 0.92100119478843 0.87716411908417 0.78830927060584 30.974 > 3 4 P 0.07899880521157 0.87716411908417 0.71169072939416 30.974 > 4 5 P 0.42100119478843 0.37716411908417 0.71169072939416 30.974 > 5 6 P 0.57899880521157 0.37716411908417 0.78830927060584 30.974 > 6 7 P 0.07899880521157 0.12283588091583 0.21169072939416 30.974 > 7 8 P 0.92100119478843 0.12283588091583 0.28830927060584 30.974 > 8 *9 Se 0.84308160396401 0.36677930611395 0.04037023891360 78.960 > 9 10 Se 0.15691839603598 0.36677930611395 0.45962976108640 78.960 > 10 11 Se 0.65691839603599 0.13322069388605 0.54037023891360 78.960 > 11 12 Se 0.34308160396401 0.13322069388605 0.95962976108640 78.960 > 12 13 Se 0.15691839603598 0.63322069388605 0.95962976108640 78.960 > 13 14 Se 0.84308160396401 0.63322069388605 0.54037023891360 78.960 > 14 15 Se 0.34308160396401 0.86677930611395 0.45962976108640 78.960 > 15 16 Se 0.65691839603599 0.86677930611395 0.04037023891360 78.960 > 16 *17 Pd 0.89068074964386 0.75887172955256 0.15569538936403 106.420 > 17 18 Pd 0.10931925035614 0.75887172955256 0.34430461063597 106.420 > 18 19 Pd 0.60931925035614 0.74112827044744 0.65569538936403 106.420 > 19 20 Pd 0.39068074964386 0.74112827044744 0.84430461063597 106.420 > 20 21 Pd 0.10931925035614 0.24112827044744 0.84430461063597 106.420 > 21 22 Pd 0.89068074964386 0.24112827044744 0.65569538936403 106.420 > 22 23 Pd 0.39068074964386 0.25887172955256 0.34430461063597 106.420 > 23 24 Pd 0.60931925035614 0.25887172955256 0.15569538936403 106.420 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 17.435070000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.683643060000000 Atomic positions (fractional): *1 P 0.57899880521157 0.20761196030528 0.14415463530292 30.974 > 1 2 P 0.57899880521157 0.54094529363861 0.14415463530292 30.974 > 1 3 P 0.57899880521157 0.87427862697194 0.14415463530292 30.974 > 1 4 P 0.57899880521157 0.20761196030528 0.64415463530292 30.974 > 1 5 P 0.57899880521157 0.54094529363861 0.64415463530292 30.974 > 1 6 P 0.57899880521157 0.87427862697194 0.64415463530292 30.974 > 1 7 P 0.42100119478843 0.20761196030528 0.10584536469708 30.974 > 2 8 P 0.42100119478843 0.54094529363861 0.10584536469708 30.974 > 2 9 P 0.42100119478843 0.87427862697194 0.10584536469708 30.974 > 2 10 P 0.42100119478843 0.20761196030528 0.60584536469708 30.974 > 2 11 P 0.42100119478843 0.54094529363861 0.60584536469708 30.974 > 2 12 P 0.42100119478843 0.87427862697194 0.60584536469708 30.974 > 2 13 P 0.92100119478843 0.29238803969472 0.39415463530292 30.974 > 3 14 P 0.92100119478843 0.62572137302806 0.39415463530292 30.974 > 3 15 P 0.92100119478843 0.95905470636139 0.39415463530292 30.974 > 3 16 P 0.92100119478843 0.29238803969472 0.89415463530292 30.974 > 3 17 P 0.92100119478843 0.62572137302806 0.89415463530292 30.974 > 3 18 P 0.92100119478843 0.95905470636139 0.89415463530292 30.974 > 3 19 P 0.07899880521157 0.29238803969472 0.35584536469708 30.974 > 4 20 P 0.07899880521157 0.62572137302806 0.35584536469708 30.974 > 4 21 P 0.07899880521157 0.95905470636139 0.35584536469708 30.974 > 4 22 P 0.07899880521157 0.29238803969472 0.85584536469708 30.974 > 4 23 P 0.07899880521157 0.62572137302806 0.85584536469708 30.974 > 4 24 P 0.07899880521157 0.95905470636139 0.85584536469708 30.974 > 4 25 P 0.42100119478843 0.12572137302806 0.35584536469708 30.974 > 5 26 P 0.42100119478843 0.45905470636139 0.35584536469708 30.974 > 5 27 P 0.42100119478843 0.79238803969472 0.35584536469708 30.974 > 5 28 P 0.42100119478843 0.12572137302806 0.85584536469708 30.974 > 5 29 P 0.42100119478843 0.45905470636139 0.85584536469708 30.974 > 5 30 P 0.42100119478843 0.79238803969472 0.85584536469708 30.974 > 5 31 P 0.57899880521157 0.12572137302806 0.39415463530292 30.974 > 6 32 P 0.57899880521157 0.45905470636139 0.39415463530292 30.974 > 6 33 P 0.57899880521157 0.79238803969472 0.39415463530292 30.974 > 6 34 P 0.57899880521157 0.12572137302806 0.89415463530292 30.974 > 6 35 P 0.57899880521157 0.45905470636139 0.89415463530292 30.974 > 6 36 P 0.57899880521157 0.79238803969472 0.89415463530292 30.974 > 6 37 P 0.07899880521157 0.04094529363861 0.10584536469708 30.974 > 7 38 P 0.07899880521157 0.37427862697194 0.10584536469708 30.974 > 7 39 P 0.07899880521157 0.70761196030528 0.10584536469708 30.974 > 7 40 P 0.07899880521157 0.04094529363861 0.60584536469708 30.974 > 7 41 P 0.07899880521157 0.37427862697194 0.60584536469708 30.974 > 7 42 P 0.07899880521157 0.70761196030528 0.60584536469708 30.974 > 7 43 P 0.92100119478843 0.04094529363861 0.14415463530292 30.974 > 8 44 P 0.92100119478843 0.37427862697194 0.14415463530292 30.974 > 8 45 P 0.92100119478843 0.70761196030528 0.14415463530292 30.974 > 8 46 P 0.92100119478843 0.04094529363861 0.64415463530292 30.974 > 8 47 P 0.92100119478843 0.37427862697194 0.64415463530292 30.974 > 8 48 P 0.92100119478843 0.70761196030528 0.64415463530292 30.974 > 8 *49 Se 0.84308160396401 0.12225976870465 0.02018511945680 78.960 > 9 50 Se 0.84308160396401 0.45559310203798 0.02018511945680 78.960 > 9 51 Se 0.84308160396401 0.78892643537132 0.02018511945680 78.960 > 9 52 Se 0.84308160396401 0.12225976870465 0.52018511945680 78.960 > 9 53 Se 0.84308160396401 0.45559310203798 0.52018511945680 78.960 > 9 54 Se 0.84308160396401 0.78892643537132 0.52018511945680 78.960 > 9 55 Se 0.15691839603598 0.12225976870465 0.22981488054320 78.960 > 10 56 Se 0.15691839603598 0.45559310203798 0.22981488054320 78.960 > 10 57 Se 0.15691839603598 0.78892643537132 0.22981488054320 78.960 > 10 58 Se 0.15691839603598 0.12225976870465 0.72981488054320 78.960 > 10 59 Se 0.15691839603598 0.45559310203798 0.72981488054320 78.960 > 10 60 Se 0.15691839603598 0.78892643537132 0.72981488054320 78.960 > 10 61 Se 0.65691839603599 0.04440689796202 0.27018511945680 78.960 > 11 62 Se 0.65691839603599 0.37774023129535 0.27018511945680 78.960 > 11 63 Se 0.65691839603599 0.71107356462868 0.27018511945680 78.960 > 11 64 Se 0.65691839603599 0.04440689796202 0.77018511945680 78.960 > 11 65 Se 0.65691839603599 0.37774023129535 0.77018511945680 78.960 > 11 66 Se 0.65691839603599 0.71107356462868 0.77018511945680 78.960 > 11 67 Se 0.34308160396401 0.04440689796202 0.47981488054320 78.960 > 12 68 Se 0.34308160396401 0.37774023129535 0.47981488054320 78.960 > 12 69 Se 0.34308160396401 0.71107356462868 0.47981488054320 78.960 > 12 70 Se 0.34308160396401 0.04440689796202 0.97981488054320 78.960 > 12 71 Se 0.34308160396401 0.37774023129535 0.97981488054320 78.960 > 12 72 Se 0.34308160396401 0.71107356462868 0.97981488054320 78.960 > 12 73 Se 0.15691839603598 0.21107356462868 0.47981488054320 78.960 > 13 74 Se 0.15691839603598 0.54440689796202 0.47981488054320 78.960 > 13 75 Se 0.15691839603598 0.87774023129535 0.47981488054320 78.960 > 13 76 Se 0.15691839603598 0.21107356462868 0.97981488054320 78.960 > 13 77 Se 0.15691839603598 0.54440689796202 0.97981488054320 78.960 > 13 78 Se 0.15691839603598 0.87774023129535 0.97981488054320 78.960 > 13 79 Se 0.84308160396401 0.21107356462868 0.27018511945680 78.960 > 14 80 Se 0.84308160396401 0.54440689796202 0.27018511945680 78.960 > 14 81 Se 0.84308160396401 0.87774023129535 0.27018511945680 78.960 > 14 82 Se 0.84308160396401 0.21107356462868 0.77018511945680 78.960 > 14 83 Se 0.84308160396401 0.54440689796202 0.77018511945680 78.960 > 14 84 Se 0.84308160396401 0.87774023129535 0.77018511945680 78.960 > 14 85 Se 0.34308160396401 0.28892643537132 0.22981488054320 78.960 > 15 86 Se 0.34308160396401 0.62225976870465 0.22981488054320 78.960 > 15 87 Se 0.34308160396401 0.95559310203798 0.22981488054320 78.960 > 15 88 Se 0.34308160396401 0.28892643537132 0.72981488054320 78.960 > 15 89 Se 0.34308160396401 0.62225976870465 0.72981488054320 78.960 > 15 90 Se 0.34308160396401 0.95559310203798 0.72981488054320 78.960 > 15 91 Se 0.65691839603599 0.28892643537132 0.02018511945680 78.960 > 16 92 Se 0.65691839603599 0.62225976870465 0.02018511945680 78.960 > 16 93 Se 0.65691839603599 0.95559310203798 0.02018511945680 78.960 > 16 94 Se 0.65691839603599 0.28892643537132 0.52018511945680 78.960 > 16 95 Se 0.65691839603599 0.62225976870465 0.52018511945680 78.960 > 16 96 Se 0.65691839603599 0.95559310203798 0.52018511945680 78.960 > 16 *97 Pd 0.89068074964386 0.25295724318419 0.07784769468202 106.420 > 17 98 Pd 0.89068074964386 0.58629057651752 0.07784769468202 106.420 > 17 99 Pd 0.89068074964386 0.91962390985085 0.07784769468202 106.420 > 17 100 Pd 0.89068074964386 0.25295724318419 0.57784769468202 106.420 > 17 101 Pd 0.89068074964386 0.58629057651752 0.57784769468202 106.420 > 17 102 Pd 0.89068074964386 0.91962390985085 0.57784769468202 106.420 > 17 103 Pd 0.10931925035614 0.25295724318419 0.17215230531798 106.420 > 18 104 Pd 0.10931925035614 0.58629057651752 0.17215230531798 106.420 > 18 105 Pd 0.10931925035614 0.91962390985085 0.17215230531798 106.420 > 18 106 Pd 0.10931925035614 0.25295724318419 0.67215230531798 106.420 > 18 107 Pd 0.10931925035614 0.58629057651752 0.67215230531798 106.420 > 18 108 Pd 0.10931925035614 0.91962390985085 0.67215230531798 106.420 > 18 109 Pd 0.60931925035614 0.24704275681581 0.32784769468202 106.420 > 19 110 Pd 0.60931925035614 0.58037609014915 0.32784769468202 106.420 > 19 111 Pd 0.60931925035614 0.91370942348248 0.32784769468202 106.420 > 19 112 Pd 0.60931925035614 0.24704275681581 0.82784769468202 106.420 > 19 113 Pd 0.60931925035614 0.58037609014915 0.82784769468202 106.420 > 19 114 Pd 0.60931925035614 0.91370942348248 0.82784769468202 106.420 > 19 115 Pd 0.39068074964386 0.24704275681581 0.42215230531798 106.420 > 20 116 Pd 0.39068074964386 0.58037609014915 0.42215230531798 106.420 > 20 117 Pd 0.39068074964386 0.91370942348248 0.42215230531798 106.420 > 20 118 Pd 0.39068074964386 0.24704275681581 0.92215230531798 106.420 > 20 119 Pd 0.39068074964386 0.58037609014915 0.92215230531798 106.420 > 20 120 Pd 0.39068074964386 0.91370942348248 0.92215230531798 106.420 > 20 121 Pd 0.10931925035614 0.08037609014915 0.42215230531798 106.420 > 21 122 Pd 0.10931925035614 0.41370942348248 0.42215230531798 106.420 > 21 123 Pd 0.10931925035614 0.74704275681581 0.42215230531798 106.420 > 21 124 Pd 0.10931925035614 0.08037609014915 0.92215230531798 106.420 > 21 125 Pd 0.10931925035614 0.41370942348248 0.92215230531798 106.420 > 21 126 Pd 0.10931925035614 0.74704275681581 0.92215230531798 106.420 > 21 127 Pd 0.89068074964386 0.08037609014915 0.32784769468202 106.420 > 22 128 Pd 0.89068074964386 0.41370942348248 0.32784769468202 106.420 > 22 129 Pd 0.89068074964386 0.74704275681581 0.32784769468202 106.420 > 22 130 Pd 0.89068074964386 0.08037609014915 0.82784769468202 106.420 > 22 131 Pd 0.89068074964386 0.41370942348248 0.82784769468202 106.420 > 22 132 Pd 0.89068074964386 0.74704275681581 0.82784769468202 106.420 > 22 133 Pd 0.39068074964386 0.08629057651752 0.17215230531798 106.420 > 23 134 Pd 0.39068074964386 0.41962390985085 0.17215230531798 106.420 > 23 135 Pd 0.39068074964386 0.75295724318419 0.17215230531798 106.420 > 23 136 Pd 0.39068074964386 0.08629057651752 0.67215230531798 106.420 > 23 137 Pd 0.39068074964386 0.41962390985085 0.67215230531798 106.420 > 23 138 Pd 0.39068074964386 0.75295724318419 0.67215230531798 106.420 > 23 139 Pd 0.60931925035614 0.08629057651752 0.07784769468202 106.420 > 24 140 Pd 0.60931925035614 0.41962390985085 0.07784769468202 106.420 > 24 141 Pd 0.60931925035614 0.75295724318419 0.07784769468202 106.420 > 24 142 Pd 0.60931925035614 0.08629057651752 0.57784769468202 106.420 > 24 143 Pd 0.60931925035614 0.41962390985085 0.57784769468202 106.420 > 24 144 Pd 0.60931925035614 0.75295724318419 0.57784769468202 106.420 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.2163763 0.0000000 0.0000000 0.0000000 17.4868323 0.0000000 0.0000000 0.0000000 17.6879159 -------------------------- Born effective charges -------------------------- 1 P 0.5398293 0.5068527 -0.0459462 0.5513068 2.2696068 -0.8119683 -0.1505280 -0.5061527 2.1340782 2 P 0.5398293 -0.5068527 -0.0459462 -0.5513068 2.2696068 0.8119683 -0.1505280 0.5061527 2.1340782 3 P 0.5398293 0.5068527 0.0459462 0.5513068 2.2696068 0.8119683 0.1505280 0.5061527 2.1340782 4 P 0.5398293 -0.5068527 0.0459462 -0.5513068 2.2696068 -0.8119683 0.1505280 -0.5061527 2.1340782 5 P 0.5398293 0.5068527 -0.0459462 0.5513068 2.2696068 -0.8119683 -0.1505280 -0.5061527 2.1340782 6 P 0.5398293 -0.5068527 -0.0459462 -0.5513068 2.2696068 0.8119683 -0.1505280 0.5061527 2.1340782 7 P 0.5398293 0.5068527 0.0459462 0.5513068 2.2696068 0.8119683 0.1505280 0.5061527 2.1340782 8 P 0.5398293 -0.5068527 0.0459462 -0.5513068 2.2696068 -0.8119683 0.1505280 -0.5061527 2.1340782 9 Se -0.5249334 0.0818853 0.1537107 0.0757811 -0.5020945 -0.5517931 -0.3883041 -0.6742472 -0.3299571 10 Se -0.5249334 -0.0818853 0.1537107 -0.0757811 -0.5020945 0.5517931 -0.3883041 0.6742472 -0.3299571 11 Se -0.5249334 0.0818853 -0.1537107 0.0757811 -0.5020945 0.5517931 0.3883041 0.6742472 -0.3299571 12 Se -0.5249334 -0.0818853 -0.1537107 -0.0757811 -0.5020945 -0.5517931 0.3883041 -0.6742472 -0.3299571 13 Se -0.5249334 0.0818853 0.1537107 0.0757811 -0.5020945 -0.5517931 -0.3883041 -0.6742472 -0.3299571 14 Se -0.5249334 -0.0818853 0.1537107 -0.0757811 -0.5020945 0.5517931 -0.3883041 0.6742472 -0.3299571 15 Se -0.5249334 0.0818853 -0.1537107 0.0757811 -0.5020945 0.5517931 0.3883041 0.6742472 -0.3299571 16 Se -0.5249334 -0.0818853 -0.1537107 -0.0757811 -0.5020945 -0.5517931 0.3883041 -0.6742472 -0.3299571 17 Pd -0.0148958 -0.1617502 0.0319501 0.0647936 -1.7675123 0.1275310 0.2390994 -0.1673617 -1.8041211 18 Pd -0.0148958 0.1617502 0.0319501 -0.0647936 -1.7675123 -0.1275310 0.2390994 0.1673617 -1.8041211 19 Pd -0.0148958 -0.1617502 -0.0319501 0.0647936 -1.7675123 -0.1275310 -0.2390994 0.1673617 -1.8041211 20 Pd -0.0148958 0.1617502 -0.0319501 -0.0647936 -1.7675123 0.1275310 -0.2390994 -0.1673617 -1.8041211 21 Pd -0.0148958 -0.1617502 0.0319501 0.0647936 -1.7675123 0.1275310 0.2390994 -0.1673617 -1.8041211 22 Pd -0.0148958 0.1617502 0.0319501 -0.0647936 -1.7675123 -0.1275310 0.2390994 0.1673617 -1.8041211 23 Pd -0.0148958 -0.1617502 -0.0319501 0.0647936 -1.7675123 -0.1275310 -0.2390994 0.1673617 -1.8041211 24 Pd -0.0148958 0.1617502 -0.0319501 -0.0647936 -1.7675123 0.1275310 -0.2390994 -0.1673617 -1.8041211 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2007), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.530 Solver_block: 200 / 400 - Time: 4.628 Solver_block: 300 / 400 - Time: 4.620 Solver_block: 400 / 400 - Time: 4.605 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.441 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2007), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-07 19:24:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:24:30]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 5.811690000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.841821530000000 Atomic positions (fractional): 1 P 0.57899880521157 0.62283588091583 0.28830927060584 30.974 2 P 0.42100119478843 0.62283588091583 0.21169072939416 30.974 3 P 0.92100119478843 0.87716411908417 0.78830927060584 30.974 4 P 0.07899880521157 0.87716411908417 0.71169072939416 30.974 5 P 0.42100119478843 0.37716411908417 0.71169072939416 30.974 6 P 0.57899880521157 0.37716411908417 0.78830927060584 30.974 7 P 0.07899880521157 0.12283588091583 0.21169072939416 30.974 8 P 0.92100119478843 0.12283588091583 0.28830927060584 30.974 9 Se 0.84308160396401 0.36677930611395 0.04037023891360 78.960 10 Se 0.15691839603598 0.36677930611395 0.45962976108640 78.960 11 Se 0.65691839603599 0.13322069388605 0.54037023891360 78.960 12 Se 0.34308160396401 0.13322069388605 0.95962976108640 78.960 13 Se 0.15691839603598 0.63322069388605 0.95962976108640 78.960 14 Se 0.84308160396401 0.63322069388605 0.54037023891360 78.960 15 Se 0.34308160396401 0.86677930611395 0.45962976108640 78.960 16 Se 0.65691839603599 0.86677930611395 0.04037023891360 78.960 17 Pd 0.89068074964386 0.75887172955256 0.15569538936403 106.420 18 Pd 0.10931925035614 0.75887172955256 0.34430461063597 106.420 19 Pd 0.60931925035614 0.74112827044744 0.65569538936403 106.420 20 Pd 0.39068074964386 0.74112827044744 0.84430461063597 106.420 21 Pd 0.10931925035614 0.24112827044744 0.84430461063597 106.420 22 Pd 0.89068074964386 0.24112827044744 0.65569538936403 106.420 23 Pd 0.39068074964386 0.25887172955256 0.34430461063597 106.420 24 Pd 0.60931925035614 0.25887172955256 0.15569538936403 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 17.435070000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.683643060000000 Atomic positions (fractional): 1 P 0.57899880521157 0.20761196030528 0.14415463530292 30.974 > 1 2 P 0.57899880521157 0.54094529363861 0.14415463530292 30.974 > 1 3 P 0.57899880521157 0.87427862697194 0.14415463530292 30.974 > 1 4 P 0.57899880521157 0.20761196030528 0.64415463530292 30.974 > 1 5 P 0.57899880521157 0.54094529363861 0.64415463530292 30.974 > 1 6 P 0.57899880521157 0.87427862697194 0.64415463530292 30.974 > 1 7 P 0.42100119478843 0.20761196030528 0.10584536469708 30.974 > 7 8 P 0.42100119478843 0.54094529363861 0.10584536469708 30.974 > 7 9 P 0.42100119478843 0.87427862697194 0.10584536469708 30.974 > 7 10 P 0.42100119478843 0.20761196030528 0.60584536469708 30.974 > 7 11 P 0.42100119478843 0.54094529363861 0.60584536469708 30.974 > 7 12 P 0.42100119478843 0.87427862697194 0.60584536469708 30.974 > 7 13 P 0.92100119478843 0.29238803969472 0.39415463530292 30.974 > 13 14 P 0.92100119478843 0.62572137302806 0.39415463530292 30.974 > 13 15 P 0.92100119478843 0.95905470636139 0.39415463530292 30.974 > 13 16 P 0.92100119478843 0.29238803969472 0.89415463530292 30.974 > 13 17 P 0.92100119478843 0.62572137302806 0.89415463530292 30.974 > 13 18 P 0.92100119478843 0.95905470636139 0.89415463530292 30.974 > 13 19 P 0.07899880521157 0.29238803969472 0.35584536469708 30.974 > 19 20 P 0.07899880521157 0.62572137302806 0.35584536469708 30.974 > 19 21 P 0.07899880521157 0.95905470636139 0.35584536469708 30.974 > 19 22 P 0.07899880521157 0.29238803969472 0.85584536469708 30.974 > 19 23 P 0.07899880521157 0.62572137302806 0.85584536469708 30.974 > 19 24 P 0.07899880521157 0.95905470636139 0.85584536469708 30.974 > 19 25 P 0.42100119478843 0.12572137302806 0.35584536469708 30.974 > 25 26 P 0.42100119478843 0.45905470636139 0.35584536469708 30.974 > 25 27 P 0.42100119478843 0.79238803969472 0.35584536469708 30.974 > 25 28 P 0.42100119478843 0.12572137302806 0.85584536469708 30.974 > 25 29 P 0.42100119478843 0.45905470636139 0.85584536469708 30.974 > 25 30 P 0.42100119478843 0.79238803969472 0.85584536469708 30.974 > 25 31 P 0.57899880521157 0.12572137302806 0.39415463530292 30.974 > 31 32 P 0.57899880521157 0.45905470636139 0.39415463530292 30.974 > 31 33 P 0.57899880521157 0.79238803969472 0.39415463530292 30.974 > 31 34 P 0.57899880521157 0.12572137302806 0.89415463530292 30.974 > 31 35 P 0.57899880521157 0.45905470636139 0.89415463530292 30.974 > 31 36 P 0.57899880521157 0.79238803969472 0.89415463530292 30.974 > 31 37 P 0.07899880521157 0.04094529363861 0.10584536469708 30.974 > 37 38 P 0.07899880521157 0.37427862697194 0.10584536469708 30.974 > 37 39 P 0.07899880521157 0.70761196030528 0.10584536469708 30.974 > 37 40 P 0.07899880521157 0.04094529363861 0.60584536469708 30.974 > 37 41 P 0.07899880521157 0.37427862697194 0.60584536469708 30.974 > 37 42 P 0.07899880521157 0.70761196030528 0.60584536469708 30.974 > 37 43 P 0.92100119478843 0.04094529363861 0.14415463530292 30.974 > 43 44 P 0.92100119478843 0.37427862697194 0.14415463530292 30.974 > 43 45 P 0.92100119478843 0.70761196030528 0.14415463530292 30.974 > 43 46 P 0.92100119478843 0.04094529363861 0.64415463530292 30.974 > 43 47 P 0.92100119478843 0.37427862697194 0.64415463530292 30.974 > 43 48 P 0.92100119478843 0.70761196030528 0.64415463530292 30.974 > 43 49 Se 0.84308160396401 0.12225976870465 0.02018511945680 78.960 > 49 50 Se 0.84308160396401 0.45559310203798 0.02018511945680 78.960 > 49 51 Se 0.84308160396401 0.78892643537132 0.02018511945680 78.960 > 49 52 Se 0.84308160396401 0.12225976870465 0.52018511945680 78.960 > 49 53 Se 0.84308160396401 0.45559310203798 0.52018511945680 78.960 > 49 54 Se 0.84308160396401 0.78892643537132 0.52018511945680 78.960 > 49 55 Se 0.15691839603598 0.12225976870465 0.22981488054320 78.960 > 55 56 Se 0.15691839603598 0.45559310203798 0.22981488054320 78.960 > 55 57 Se 0.15691839603598 0.78892643537132 0.22981488054320 78.960 > 55 58 Se 0.15691839603598 0.12225976870465 0.72981488054320 78.960 > 55 59 Se 0.15691839603598 0.45559310203798 0.72981488054320 78.960 > 55 60 Se 0.15691839603598 0.78892643537132 0.72981488054320 78.960 > 55 61 Se 0.65691839603599 0.04440689796202 0.27018511945680 78.960 > 61 62 Se 0.65691839603599 0.37774023129535 0.27018511945680 78.960 > 61 63 Se 0.65691839603599 0.71107356462868 0.27018511945680 78.960 > 61 64 Se 0.65691839603599 0.04440689796202 0.77018511945680 78.960 > 61 65 Se 0.65691839603599 0.37774023129535 0.77018511945680 78.960 > 61 66 Se 0.65691839603599 0.71107356462868 0.77018511945680 78.960 > 61 67 Se 0.34308160396401 0.04440689796202 0.47981488054320 78.960 > 67 68 Se 0.34308160396401 0.37774023129535 0.47981488054320 78.960 > 67 69 Se 0.34308160396401 0.71107356462868 0.47981488054320 78.960 > 67 70 Se 0.34308160396401 0.04440689796202 0.97981488054320 78.960 > 67 71 Se 0.34308160396401 0.37774023129535 0.97981488054320 78.960 > 67 72 Se 0.34308160396401 0.71107356462868 0.97981488054320 78.960 > 67 73 Se 0.15691839603598 0.21107356462868 0.47981488054320 78.960 > 73 74 Se 0.15691839603598 0.54440689796202 0.47981488054320 78.960 > 73 75 Se 0.15691839603598 0.87774023129535 0.47981488054320 78.960 > 73 76 Se 0.15691839603598 0.21107356462868 0.97981488054320 78.960 > 73 77 Se 0.15691839603598 0.54440689796202 0.97981488054320 78.960 > 73 78 Se 0.15691839603598 0.87774023129535 0.97981488054320 78.960 > 73 79 Se 0.84308160396401 0.21107356462868 0.27018511945680 78.960 > 79 80 Se 0.84308160396401 0.54440689796202 0.27018511945680 78.960 > 79 81 Se 0.84308160396401 0.87774023129535 0.27018511945680 78.960 > 79 82 Se 0.84308160396401 0.21107356462868 0.77018511945680 78.960 > 79 83 Se 0.84308160396401 0.54440689796202 0.77018511945680 78.960 > 79 84 Se 0.84308160396401 0.87774023129535 0.77018511945680 78.960 > 79 85 Se 0.34308160396401 0.28892643537132 0.22981488054320 78.960 > 85 86 Se 0.34308160396401 0.62225976870465 0.22981488054320 78.960 > 85 87 Se 0.34308160396401 0.95559310203798 0.22981488054320 78.960 > 85 88 Se 0.34308160396401 0.28892643537132 0.72981488054320 78.960 > 85 89 Se 0.34308160396401 0.62225976870465 0.72981488054320 78.960 > 85 90 Se 0.34308160396401 0.95559310203798 0.72981488054320 78.960 > 85 91 Se 0.65691839603599 0.28892643537132 0.02018511945680 78.960 > 91 92 Se 0.65691839603599 0.62225976870465 0.02018511945680 78.960 > 91 93 Se 0.65691839603599 0.95559310203798 0.02018511945680 78.960 > 91 94 Se 0.65691839603599 0.28892643537132 0.52018511945680 78.960 > 91 95 Se 0.65691839603599 0.62225976870465 0.52018511945680 78.960 > 91 96 Se 0.65691839603599 0.95559310203798 0.52018511945680 78.960 > 91 97 Pd 0.89068074964386 0.25295724318419 0.07784769468202 106.420 > 97 98 Pd 0.89068074964386 0.58629057651752 0.07784769468202 106.420 > 97 99 Pd 0.89068074964386 0.91962390985085 0.07784769468202 106.420 > 97 100 Pd 0.89068074964386 0.25295724318419 0.57784769468202 106.420 > 97 101 Pd 0.89068074964386 0.58629057651752 0.57784769468202 106.420 > 97 102 Pd 0.89068074964386 0.91962390985085 0.57784769468202 106.420 > 97 103 Pd 0.10931925035614 0.25295724318419 0.17215230531798 106.420 > 103 104 Pd 0.10931925035614 0.58629057651752 0.17215230531798 106.420 > 103 105 Pd 0.10931925035614 0.91962390985085 0.17215230531798 106.420 > 103 106 Pd 0.10931925035614 0.25295724318419 0.67215230531798 106.420 > 103 107 Pd 0.10931925035614 0.58629057651752 0.67215230531798 106.420 > 103 108 Pd 0.10931925035614 0.91962390985085 0.67215230531798 106.420 > 103 109 Pd 0.60931925035614 0.24704275681581 0.32784769468202 106.420 > 109 110 Pd 0.60931925035614 0.58037609014915 0.32784769468202 106.420 > 109 111 Pd 0.60931925035614 0.91370942348248 0.32784769468202 106.420 > 109 112 Pd 0.60931925035614 0.24704275681581 0.82784769468202 106.420 > 109 113 Pd 0.60931925035614 0.58037609014915 0.82784769468202 106.420 > 109 114 Pd 0.60931925035614 0.91370942348248 0.82784769468202 106.420 > 109 115 Pd 0.39068074964386 0.24704275681581 0.42215230531798 106.420 > 115 116 Pd 0.39068074964386 0.58037609014915 0.42215230531798 106.420 > 115 117 Pd 0.39068074964386 0.91370942348248 0.42215230531798 106.420 > 115 118 Pd 0.39068074964386 0.24704275681581 0.92215230531798 106.420 > 115 119 Pd 0.39068074964386 0.58037609014915 0.92215230531798 106.420 > 115 120 Pd 0.39068074964386 0.91370942348248 0.92215230531798 106.420 > 115 121 Pd 0.10931925035614 0.08037609014915 0.42215230531798 106.420 > 121 122 Pd 0.10931925035614 0.41370942348248 0.42215230531798 106.420 > 121 123 Pd 0.10931925035614 0.74704275681581 0.42215230531798 106.420 > 121 124 Pd 0.10931925035614 0.08037609014915 0.92215230531798 106.420 > 121 125 Pd 0.10931925035614 0.41370942348248 0.92215230531798 106.420 > 121 126 Pd 0.10931925035614 0.74704275681581 0.92215230531798 106.420 > 121 127 Pd 0.89068074964386 0.08037609014915 0.32784769468202 106.420 > 127 128 Pd 0.89068074964386 0.41370942348248 0.32784769468202 106.420 > 127 129 Pd 0.89068074964386 0.74704275681581 0.32784769468202 106.420 > 127 130 Pd 0.89068074964386 0.08037609014915 0.82784769468202 106.420 > 127 131 Pd 0.89068074964386 0.41370942348248 0.82784769468202 106.420 > 127 132 Pd 0.89068074964386 0.74704275681581 0.82784769468202 106.420 > 127 133 Pd 0.39068074964386 0.08629057651752 0.17215230531798 106.420 > 133 134 Pd 0.39068074964386 0.41962390985085 0.17215230531798 106.420 > 133 135 Pd 0.39068074964386 0.75295724318419 0.17215230531798 106.420 > 133 136 Pd 0.39068074964386 0.08629057651752 0.67215230531798 106.420 > 133 137 Pd 0.39068074964386 0.41962390985085 0.67215230531798 106.420 > 133 138 Pd 0.39068074964386 0.75295724318419 0.67215230531798 106.420 > 133 139 Pd 0.60931925035614 0.08629057651752 0.07784769468202 106.420 > 139 140 Pd 0.60931925035614 0.41962390985085 0.07784769468202 106.420 > 139 141 Pd 0.60931925035614 0.75295724318419 0.07784769468202 106.420 > 139 142 Pd 0.60931925035614 0.08629057651752 0.57784769468202 106.420 > 139 143 Pd 0.60931925035614 0.41962390985085 0.57784769468202 106.420 > 139 144 Pd 0.60931925035614 0.75295724318419 0.57784769468202 106.420 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.2163763 0.0000000 0.0000000 0.0000000 17.4868323 0.0000000 0.0000000 0.0000000 17.6879159 -------------------------- Born effective charges -------------------------- 1 P 0.5398293 0.5068527 -0.0459462 0.5513068 2.2696068 -0.8119683 -0.1505280 -0.5061527 2.1340782 2 P 0.5398293 -0.5068527 -0.0459462 -0.5513068 2.2696068 0.8119683 -0.1505280 0.5061527 2.1340782 3 P 0.5398293 0.5068527 0.0459462 0.5513068 2.2696068 0.8119683 0.1505280 0.5061527 2.1340782 4 P 0.5398293 -0.5068527 0.0459462 -0.5513068 2.2696068 -0.8119683 0.1505280 -0.5061527 2.1340782 5 P 0.5398293 0.5068527 -0.0459462 0.5513068 2.2696068 -0.8119683 -0.1505280 -0.5061527 2.1340782 6 P 0.5398293 -0.5068527 -0.0459462 -0.5513068 2.2696068 0.8119683 -0.1505280 0.5061527 2.1340782 7 P 0.5398293 0.5068527 0.0459462 0.5513068 2.2696068 0.8119683 0.1505280 0.5061527 2.1340782 8 P 0.5398293 -0.5068527 0.0459462 -0.5513068 2.2696068 -0.8119683 0.1505280 -0.5061527 2.1340782 9 Se -0.5249334 0.0818853 0.1537107 0.0757811 -0.5020945 -0.5517931 -0.3883041 -0.6742472 -0.3299571 10 Se -0.5249334 -0.0818853 0.1537107 -0.0757811 -0.5020945 0.5517931 -0.3883041 0.6742472 -0.3299571 11 Se -0.5249334 0.0818853 -0.1537107 0.0757811 -0.5020945 0.5517931 0.3883041 0.6742472 -0.3299571 12 Se -0.5249334 -0.0818853 -0.1537107 -0.0757811 -0.5020945 -0.5517931 0.3883041 -0.6742472 -0.3299571 13 Se -0.5249334 0.0818853 0.1537107 0.0757811 -0.5020945 -0.5517931 -0.3883041 -0.6742472 -0.3299571 14 Se -0.5249334 -0.0818853 0.1537107 -0.0757811 -0.5020945 0.5517931 -0.3883041 0.6742472 -0.3299571 15 Se -0.5249334 0.0818853 -0.1537107 0.0757811 -0.5020945 0.5517931 0.3883041 0.6742472 -0.3299571 16 Se -0.5249334 -0.0818853 -0.1537107 -0.0757811 -0.5020945 -0.5517931 0.3883041 -0.6742472 -0.3299571 17 Pd -0.0148958 -0.1617502 0.0319501 0.0647936 -1.7675123 0.1275310 0.2390994 -0.1673617 -1.8041211 18 Pd -0.0148958 0.1617502 0.0319501 -0.0647936 -1.7675123 -0.1275310 0.2390994 0.1673617 -1.8041211 19 Pd -0.0148958 -0.1617502 -0.0319501 0.0647936 -1.7675123 -0.1275310 -0.2390994 0.1673617 -1.8041211 20 Pd -0.0148958 0.1617502 -0.0319501 -0.0647936 -1.7675123 0.1275310 -0.2390994 -0.1673617 -1.8041211 21 Pd -0.0148958 -0.1617502 0.0319501 0.0647936 -1.7675123 0.1275310 0.2390994 -0.1673617 -1.8041211 22 Pd -0.0148958 0.1617502 0.0319501 -0.0647936 -1.7675123 -0.1275310 0.2390994 0.1673617 -1.8041211 23 Pd -0.0148958 -0.1617502 -0.0319501 0.0647936 -1.7675123 -0.1275310 -0.2390994 0.1673617 -1.8041211 24 Pd -0.0148958 0.1617502 -0.0319501 -0.0647936 -1.7675123 0.1275310 -0.2390994 -0.1673617 -1.8041211 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:24:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:24:54]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 5.811690000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.841821530000000 Atomic positions (fractional): 1 P 0.57899880521157 0.62283588091583 0.28830927060584 30.974 2 P 0.42100119478843 0.62283588091583 0.21169072939416 30.974 3 P 0.92100119478843 0.87716411908417 0.78830927060584 30.974 4 P 0.07899880521157 0.87716411908417 0.71169072939416 30.974 5 P 0.42100119478843 0.37716411908417 0.71169072939416 30.974 6 P 0.57899880521157 0.37716411908417 0.78830927060584 30.974 7 P 0.07899880521157 0.12283588091583 0.21169072939416 30.974 8 P 0.92100119478843 0.12283588091583 0.28830927060584 30.974 9 Se 0.84308160396401 0.36677930611395 0.04037023891360 78.960 10 Se 0.15691839603598 0.36677930611395 0.45962976108640 78.960 11 Se 0.65691839603599 0.13322069388605 0.54037023891360 78.960 12 Se 0.34308160396401 0.13322069388605 0.95962976108640 78.960 13 Se 0.15691839603598 0.63322069388605 0.95962976108640 78.960 14 Se 0.84308160396401 0.63322069388605 0.54037023891360 78.960 15 Se 0.34308160396401 0.86677930611395 0.45962976108640 78.960 16 Se 0.65691839603599 0.86677930611395 0.04037023891360 78.960 17 Pd 0.89068074964386 0.75887172955256 0.15569538936403 106.420 18 Pd 0.10931925035614 0.75887172955256 0.34430461063597 106.420 19 Pd 0.60931925035614 0.74112827044744 0.65569538936403 106.420 20 Pd 0.39068074964386 0.74112827044744 0.84430461063597 106.420 21 Pd 0.10931925035614 0.24112827044744 0.84430461063597 106.420 22 Pd 0.89068074964386 0.24112827044744 0.65569538936403 106.420 23 Pd 0.39068074964386 0.25887172955256 0.34430461063597 106.420 24 Pd 0.60931925035614 0.25887172955256 0.15569538936403 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.636088559999997 0.000000000000000 0.000000000000000 b 0.000000000000000 17.435070000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.683643060000000 Atomic positions (fractional): 1 P 0.57899880521157 0.20761196030528 0.14415463530292 30.974 > 1 2 P 0.57899880521157 0.54094529363861 0.14415463530292 30.974 > 1 3 P 0.57899880521157 0.87427862697194 0.14415463530292 30.974 > 1 4 P 0.57899880521157 0.20761196030528 0.64415463530292 30.974 > 1 5 P 0.57899880521157 0.54094529363861 0.64415463530292 30.974 > 1 6 P 0.57899880521157 0.87427862697194 0.64415463530292 30.974 > 1 7 P 0.42100119478843 0.20761196030528 0.10584536469708 30.974 > 7 8 P 0.42100119478843 0.54094529363861 0.10584536469708 30.974 > 7 9 P 0.42100119478843 0.87427862697194 0.10584536469708 30.974 > 7 10 P 0.42100119478843 0.20761196030528 0.60584536469708 30.974 > 7 11 P 0.42100119478843 0.54094529363861 0.60584536469708 30.974 > 7 12 P 0.42100119478843 0.87427862697194 0.60584536469708 30.974 > 7 13 P 0.92100119478843 0.29238803969472 0.39415463530292 30.974 > 13 14 P 0.92100119478843 0.62572137302806 0.39415463530292 30.974 > 13 15 P 0.92100119478843 0.95905470636139 0.39415463530292 30.974 > 13 16 P 0.92100119478843 0.29238803969472 0.89415463530292 30.974 > 13 17 P 0.92100119478843 0.62572137302806 0.89415463530292 30.974 > 13 18 P 0.92100119478843 0.95905470636139 0.89415463530292 30.974 > 13 19 P 0.07899880521157 0.29238803969472 0.35584536469708 30.974 > 19 20 P 0.07899880521157 0.62572137302806 0.35584536469708 30.974 > 19 21 P 0.07899880521157 0.95905470636139 0.35584536469708 30.974 > 19 22 P 0.07899880521157 0.29238803969472 0.85584536469708 30.974 > 19 23 P 0.07899880521157 0.62572137302806 0.85584536469708 30.974 > 19 24 P 0.07899880521157 0.95905470636139 0.85584536469708 30.974 > 19 25 P 0.42100119478843 0.12572137302806 0.35584536469708 30.974 > 25 26 P 0.42100119478843 0.45905470636139 0.35584536469708 30.974 > 25 27 P 0.42100119478843 0.79238803969472 0.35584536469708 30.974 > 25 28 P 0.42100119478843 0.12572137302806 0.85584536469708 30.974 > 25 29 P 0.42100119478843 0.45905470636139 0.85584536469708 30.974 > 25 30 P 0.42100119478843 0.79238803969472 0.85584536469708 30.974 > 25 31 P 0.57899880521157 0.12572137302806 0.39415463530292 30.974 > 31 32 P 0.57899880521157 0.45905470636139 0.39415463530292 30.974 > 31 33 P 0.57899880521157 0.79238803969472 0.39415463530292 30.974 > 31 34 P 0.57899880521157 0.12572137302806 0.89415463530292 30.974 > 31 35 P 0.57899880521157 0.45905470636139 0.89415463530292 30.974 > 31 36 P 0.57899880521157 0.79238803969472 0.89415463530292 30.974 > 31 37 P 0.07899880521157 0.04094529363861 0.10584536469708 30.974 > 37 38 P 0.07899880521157 0.37427862697194 0.10584536469708 30.974 > 37 39 P 0.07899880521157 0.70761196030528 0.10584536469708 30.974 > 37 40 P 0.07899880521157 0.04094529363861 0.60584536469708 30.974 > 37 41 P 0.07899880521157 0.37427862697194 0.60584536469708 30.974 > 37 42 P 0.07899880521157 0.70761196030528 0.60584536469708 30.974 > 37 43 P 0.92100119478843 0.04094529363861 0.14415463530292 30.974 > 43 44 P 0.92100119478843 0.37427862697194 0.14415463530292 30.974 > 43 45 P 0.92100119478843 0.70761196030528 0.14415463530292 30.974 > 43 46 P 0.92100119478843 0.04094529363861 0.64415463530292 30.974 > 43 47 P 0.92100119478843 0.37427862697194 0.64415463530292 30.974 > 43 48 P 0.92100119478843 0.70761196030528 0.64415463530292 30.974 > 43 49 Se 0.84308160396401 0.12225976870465 0.02018511945680 78.960 > 49 50 Se 0.84308160396401 0.45559310203798 0.02018511945680 78.960 > 49 51 Se 0.84308160396401 0.78892643537132 0.02018511945680 78.960 > 49 52 Se 0.84308160396401 0.12225976870465 0.52018511945680 78.960 > 49 53 Se 0.84308160396401 0.45559310203798 0.52018511945680 78.960 > 49 54 Se 0.84308160396401 0.78892643537132 0.52018511945680 78.960 > 49 55 Se 0.15691839603598 0.12225976870465 0.22981488054320 78.960 > 55 56 Se 0.15691839603598 0.45559310203798 0.22981488054320 78.960 > 55 57 Se 0.15691839603598 0.78892643537132 0.22981488054320 78.960 > 55 58 Se 0.15691839603598 0.12225976870465 0.72981488054320 78.960 > 55 59 Se 0.15691839603598 0.45559310203798 0.72981488054320 78.960 > 55 60 Se 0.15691839603598 0.78892643537132 0.72981488054320 78.960 > 55 61 Se 0.65691839603599 0.04440689796202 0.27018511945680 78.960 > 61 62 Se 0.65691839603599 0.37774023129535 0.27018511945680 78.960 > 61 63 Se 0.65691839603599 0.71107356462868 0.27018511945680 78.960 > 61 64 Se 0.65691839603599 0.04440689796202 0.77018511945680 78.960 > 61 65 Se 0.65691839603599 0.37774023129535 0.77018511945680 78.960 > 61 66 Se 0.65691839603599 0.71107356462868 0.77018511945680 78.960 > 61 67 Se 0.34308160396401 0.04440689796202 0.47981488054320 78.960 > 67 68 Se 0.34308160396401 0.37774023129535 0.47981488054320 78.960 > 67 69 Se 0.34308160396401 0.71107356462868 0.47981488054320 78.960 > 67 70 Se 0.34308160396401 0.04440689796202 0.97981488054320 78.960 > 67 71 Se 0.34308160396401 0.37774023129535 0.97981488054320 78.960 > 67 72 Se 0.34308160396401 0.71107356462868 0.97981488054320 78.960 > 67 73 Se 0.15691839603598 0.21107356462868 0.47981488054320 78.960 > 73 74 Se 0.15691839603598 0.54440689796202 0.47981488054320 78.960 > 73 75 Se 0.15691839603598 0.87774023129535 0.47981488054320 78.960 > 73 76 Se 0.15691839603598 0.21107356462868 0.97981488054320 78.960 > 73 77 Se 0.15691839603598 0.54440689796202 0.97981488054320 78.960 > 73 78 Se 0.15691839603598 0.87774023129535 0.97981488054320 78.960 > 73 79 Se 0.84308160396401 0.21107356462868 0.27018511945680 78.960 > 79 80 Se 0.84308160396401 0.54440689796202 0.27018511945680 78.960 > 79 81 Se 0.84308160396401 0.87774023129535 0.27018511945680 78.960 > 79 82 Se 0.84308160396401 0.21107356462868 0.77018511945680 78.960 > 79 83 Se 0.84308160396401 0.54440689796202 0.77018511945680 78.960 > 79 84 Se 0.84308160396401 0.87774023129535 0.77018511945680 78.960 > 79 85 Se 0.34308160396401 0.28892643537132 0.22981488054320 78.960 > 85 86 Se 0.34308160396401 0.62225976870465 0.22981488054320 78.960 > 85 87 Se 0.34308160396401 0.95559310203798 0.22981488054320 78.960 > 85 88 Se 0.34308160396401 0.28892643537132 0.72981488054320 78.960 > 85 89 Se 0.34308160396401 0.62225976870465 0.72981488054320 78.960 > 85 90 Se 0.34308160396401 0.95559310203798 0.72981488054320 78.960 > 85 91 Se 0.65691839603599 0.28892643537132 0.02018511945680 78.960 > 91 92 Se 0.65691839603599 0.62225976870465 0.02018511945680 78.960 > 91 93 Se 0.65691839603599 0.95559310203798 0.02018511945680 78.960 > 91 94 Se 0.65691839603599 0.28892643537132 0.52018511945680 78.960 > 91 95 Se 0.65691839603599 0.62225976870465 0.52018511945680 78.960 > 91 96 Se 0.65691839603599 0.95559310203798 0.52018511945680 78.960 > 91 97 Pd 0.89068074964386 0.25295724318419 0.07784769468202 106.420 > 97 98 Pd 0.89068074964386 0.58629057651752 0.07784769468202 106.420 > 97 99 Pd 0.89068074964386 0.91962390985085 0.07784769468202 106.420 > 97 100 Pd 0.89068074964386 0.25295724318419 0.57784769468202 106.420 > 97 101 Pd 0.89068074964386 0.58629057651752 0.57784769468202 106.420 > 97 102 Pd 0.89068074964386 0.91962390985085 0.57784769468202 106.420 > 97 103 Pd 0.10931925035614 0.25295724318419 0.17215230531798 106.420 > 103 104 Pd 0.10931925035614 0.58629057651752 0.17215230531798 106.420 > 103 105 Pd 0.10931925035614 0.91962390985085 0.17215230531798 106.420 > 103 106 Pd 0.10931925035614 0.25295724318419 0.67215230531798 106.420 > 103 107 Pd 0.10931925035614 0.58629057651752 0.67215230531798 106.420 > 103 108 Pd 0.10931925035614 0.91962390985085 0.67215230531798 106.420 > 103 109 Pd 0.60931925035614 0.24704275681581 0.32784769468202 106.420 > 109 110 Pd 0.60931925035614 0.58037609014915 0.32784769468202 106.420 > 109 111 Pd 0.60931925035614 0.91370942348248 0.32784769468202 106.420 > 109 112 Pd 0.60931925035614 0.24704275681581 0.82784769468202 106.420 > 109 113 Pd 0.60931925035614 0.58037609014915 0.82784769468202 106.420 > 109 114 Pd 0.60931925035614 0.91370942348248 0.82784769468202 106.420 > 109 115 Pd 0.39068074964386 0.24704275681581 0.42215230531798 106.420 > 115 116 Pd 0.39068074964386 0.58037609014915 0.42215230531798 106.420 > 115 117 Pd 0.39068074964386 0.91370942348248 0.42215230531798 106.420 > 115 118 Pd 0.39068074964386 0.24704275681581 0.92215230531798 106.420 > 115 119 Pd 0.39068074964386 0.58037609014915 0.92215230531798 106.420 > 115 120 Pd 0.39068074964386 0.91370942348248 0.92215230531798 106.420 > 115 121 Pd 0.10931925035614 0.08037609014915 0.42215230531798 106.420 > 121 122 Pd 0.10931925035614 0.41370942348248 0.42215230531798 106.420 > 121 123 Pd 0.10931925035614 0.74704275681581 0.42215230531798 106.420 > 121 124 Pd 0.10931925035614 0.08037609014915 0.92215230531798 106.420 > 121 125 Pd 0.10931925035614 0.41370942348248 0.92215230531798 106.420 > 121 126 Pd 0.10931925035614 0.74704275681581 0.92215230531798 106.420 > 121 127 Pd 0.89068074964386 0.08037609014915 0.32784769468202 106.420 > 127 128 Pd 0.89068074964386 0.41370942348248 0.32784769468202 106.420 > 127 129 Pd 0.89068074964386 0.74704275681581 0.32784769468202 106.420 > 127 130 Pd 0.89068074964386 0.08037609014915 0.82784769468202 106.420 > 127 131 Pd 0.89068074964386 0.41370942348248 0.82784769468202 106.420 > 127 132 Pd 0.89068074964386 0.74704275681581 0.82784769468202 106.420 > 127 133 Pd 0.39068074964386 0.08629057651752 0.17215230531798 106.420 > 133 134 Pd 0.39068074964386 0.41962390985085 0.17215230531798 106.420 > 133 135 Pd 0.39068074964386 0.75295724318419 0.17215230531798 106.420 > 133 136 Pd 0.39068074964386 0.08629057651752 0.67215230531798 106.420 > 133 137 Pd 0.39068074964386 0.41962390985085 0.67215230531798 106.420 > 133 138 Pd 0.39068074964386 0.75295724318419 0.67215230531798 106.420 > 133 139 Pd 0.60931925035614 0.08629057651752 0.07784769468202 106.420 > 139 140 Pd 0.60931925035614 0.41962390985085 0.07784769468202 106.420 > 139 141 Pd 0.60931925035614 0.75295724318419 0.07784769468202 106.420 > 139 142 Pd 0.60931925035614 0.08629057651752 0.57784769468202 106.420 > 139 143 Pd 0.60931925035614 0.41962390985085 0.57784769468202 106.420 > 139 144 Pd 0.60931925035614 0.75295724318419 0.57784769468202 106.420 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.2163763 0.0000000 0.0000000 0.0000000 17.4868323 0.0000000 0.0000000 0.0000000 17.6879159 -------------------------- Born effective charges -------------------------- 1 P 0.5398293 0.5068527 -0.0459462 0.5513068 2.2696068 -0.8119683 -0.1505280 -0.5061527 2.1340782 2 P 0.5398293 -0.5068527 -0.0459462 -0.5513068 2.2696068 0.8119683 -0.1505280 0.5061527 2.1340782 3 P 0.5398293 0.5068527 0.0459462 0.5513068 2.2696068 0.8119683 0.1505280 0.5061527 2.1340782 4 P 0.5398293 -0.5068527 0.0459462 -0.5513068 2.2696068 -0.8119683 0.1505280 -0.5061527 2.1340782 5 P 0.5398293 0.5068527 -0.0459462 0.5513068 2.2696068 -0.8119683 -0.1505280 -0.5061527 2.1340782 6 P 0.5398293 -0.5068527 -0.0459462 -0.5513068 2.2696068 0.8119683 -0.1505280 0.5061527 2.1340782 7 P 0.5398293 0.5068527 0.0459462 0.5513068 2.2696068 0.8119683 0.1505280 0.5061527 2.1340782 8 P 0.5398293 -0.5068527 0.0459462 -0.5513068 2.2696068 -0.8119683 0.1505280 -0.5061527 2.1340782 9 Se -0.5249334 0.0818853 0.1537107 0.0757811 -0.5020945 -0.5517931 -0.3883041 -0.6742472 -0.3299571 10 Se -0.5249334 -0.0818853 0.1537107 -0.0757811 -0.5020945 0.5517931 -0.3883041 0.6742472 -0.3299571 11 Se -0.5249334 0.0818853 -0.1537107 0.0757811 -0.5020945 0.5517931 0.3883041 0.6742472 -0.3299571 12 Se -0.5249334 -0.0818853 -0.1537107 -0.0757811 -0.5020945 -0.5517931 0.3883041 -0.6742472 -0.3299571 13 Se -0.5249334 0.0818853 0.1537107 0.0757811 -0.5020945 -0.5517931 -0.3883041 -0.6742472 -0.3299571 14 Se -0.5249334 -0.0818853 0.1537107 -0.0757811 -0.5020945 0.5517931 -0.3883041 0.6742472 -0.3299571 15 Se -0.5249334 0.0818853 -0.1537107 0.0757811 -0.5020945 0.5517931 0.3883041 0.6742472 -0.3299571 16 Se -0.5249334 -0.0818853 -0.1537107 -0.0757811 -0.5020945 -0.5517931 0.3883041 -0.6742472 -0.3299571 17 Pd -0.0148958 -0.1617502 0.0319501 0.0647936 -1.7675123 0.1275310 0.2390994 -0.1673617 -1.8041211 18 Pd -0.0148958 0.1617502 0.0319501 -0.0647936 -1.7675123 -0.1275310 0.2390994 0.1673617 -1.8041211 19 Pd -0.0148958 -0.1617502 -0.0319501 0.0647936 -1.7675123 -0.1275310 -0.2390994 0.1673617 -1.8041211 20 Pd -0.0148958 0.1617502 -0.0319501 -0.0647936 -1.7675123 0.1275310 -0.2390994 -0.1673617 -1.8041211 21 Pd -0.0148958 -0.1617502 0.0319501 0.0647936 -1.7675123 0.1275310 0.2390994 -0.1673617 -1.8041211 22 Pd -0.0148958 0.1617502 0.0319501 -0.0647936 -1.7675123 -0.1275310 0.2390994 0.1673617 -1.8041211 23 Pd -0.0148958 -0.1617502 -0.0319501 0.0647936 -1.7675123 -0.1275310 -0.2390994 0.1673617 -1.8041211 24 Pd -0.0148958 0.1617502 -0.0319501 -0.0647936 -1.7675123 0.1275310 -0.2390994 -0.1673617 -1.8041211 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 9 ] 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: 0.54, Number of G-points: 299, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 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 0.514 ( 0.000 0.000 0.000) 0.000 0.633 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.302 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.462 ( 0.000 0.000 0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 13.946 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 10.475 0.000 0.000) 10.475 0.223 ( 11.802 0.000 0.000) 11.802 0.421 ( 20.871 0.000 0.000) 20.871 0.488 ( -3.889 0.000 0.000) 3.889 0.575 ( -6.077 0.000 0.000) 6.077 0.934 ( -6.150 0.000 0.000) 6.150 1.303 ( 0.774 0.000 0.000) 0.774 1.319 ( 0.025 0.000 0.000) 0.025 1.695 ( 0.475 0.000 0.000) 0.475 1.712 ( -0.315 0.000 0.000) 0.315 2.393 ( 0.468 0.000 0.000) 0.468 2.461 ( -2.525 0.000 0.000) 2.525 2.556 ( 0.378 0.000 0.000) 0.378 2.565 ( -0.087 0.000 0.000) 0.087 2.597 ( 0.511 0.000 0.000) 0.511 2.634 ( -0.972 0.000 0.000) 0.972 3.451 ( 0.771 0.000 0.000) 0.771 3.492 ( -1.079 0.000 0.000) 1.079 3.584 ( 0.593 0.000 0.000) 0.593 3.599 ( -0.110 0.000 0.000) 0.110 3.627 ( 1.545 0.000 0.000) 1.545 3.729 ( -3.353 0.000 0.000) 3.353 3.923 ( 2.625 0.000 0.000) 2.625 4.010 ( -1.392 0.000 0.000) 1.392 4.344 ( 0.433 0.000 0.000) 0.433 4.366 ( -0.526 0.000 0.000) 0.526 4.475 ( -0.099 0.000 0.000) 0.099 4.507 ( -1.297 0.000 0.000) 1.297 4.540 ( 2.842 0.000 0.000) 2.842 4.615 ( -0.696 0.000 0.000) 0.696 4.805 ( 0.318 0.000 0.000) 0.318 4.821 ( -0.381 0.000 0.000) 0.381 5.376 ( 0.829 0.000 0.000) 0.829 5.414 ( -0.787 0.000 0.000) 0.787 5.598 ( 2.955 0.000 0.000) 2.955 5.740 ( -3.133 0.000 0.000) 3.133 6.509 ( 0.274 0.000 0.000) 0.274 6.521 ( -0.220 0.000 0.000) 0.220 6.566 ( 1.275 0.000 0.000) 1.275 6.619 ( -1.014 0.000 0.000) 1.014 7.045 ( 0.576 0.000 0.000) 0.576 7.079 ( -0.984 0.000 0.000) 0.984 7.150 ( 0.880 0.000 0.000) 0.880 7.178 ( -0.447 0.000 0.000) 0.447 7.362 ( 0.410 0.000 0.000) 0.410 7.385 ( -0.596 0.000 0.000) 0.596 7.499 ( 0.226 0.000 0.000) 0.226 7.501 ( 0.243 0.000 0.000) 0.243 7.531 ( 0.096 0.000 0.000) 0.096 7.546 ( -0.419 0.000 0.000) 0.419 8.131 ( 0.661 0.000 0.000) 0.661 8.162 ( -0.662 0.000 0.000) 0.662 10.668 ( 0.548 0.000 0.000) 0.548 10.693 ( -0.486 0.000 0.000) 0.486 10.735 ( 0.123 0.000 0.000) 0.123 10.743 ( -0.239 0.000 0.000) 0.239 11.239 ( 0.386 0.000 0.000) 0.386 11.259 ( -0.536 0.000 0.000) 0.536 11.274 ( 0.633 0.000 0.000) 0.633 11.291 ( 0.168 0.000 0.000) 0.168 11.294 ( -0.025 0.000 0.000) 0.025 11.303 ( -0.616 0.000 0.000) 0.616 11.453 ( 0.528 0.000 0.000) 0.528 11.477 ( -0.491 0.000 0.000) 0.491 12.446 ( -0.233 0.000 0.000) 0.233 12.455 ( -0.527 0.000 0.000) 0.527 12.470 ( 0.760 0.000 0.000) 0.760 12.483 ( 0.108 0.000 0.000) 0.108 13.749 ( 0.717 0.000 0.000) 0.717 13.783 ( -0.716 0.000 0.000) 0.716 13.872 ( 1.259 0.000 0.000) 1.259 13.933 ( -1.333 0.000 0.000) 1.333 ======================= Grid point 2 (3/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -7.900 0.000 0.000) 7.900 0.374 ( 7.900 0.000 0.000) 7.900 0.425 ( -9.930 0.000 0.000) 9.930 0.425 ( 9.930 0.000 0.000) 9.930 0.750 ( -14.095 0.000 0.000) 14.095 0.750 ( 14.095 0.000 0.000) 14.095 1.316 ( -0.424 0.000 0.000) 0.424 1.316 ( 0.424 0.000 0.000) 0.424 1.705 ( -0.497 0.000 0.000) 0.497 1.705 ( 0.497 0.000 0.000) 0.497 2.415 ( -2.023 0.000 0.000) 2.023 2.415 ( 2.023 0.000 0.000) 2.023 2.562 ( -0.242 0.000 0.000) 0.242 2.562 ( 0.242 0.000 0.000) 0.242 2.613 ( -1.144 0.000 0.000) 1.144 2.613 ( 1.144 0.000 0.000) 1.144 3.470 ( -1.231 0.000 0.000) 1.231 3.470 ( 1.231 0.000 0.000) 1.231 3.594 ( -0.423 0.000 0.000) 0.423 3.594 ( 0.423 0.000 0.000) 0.423 3.668 ( -2.966 0.000 0.000) 2.966 3.668 ( 2.966 0.000 0.000) 2.966 3.973 ( -2.527 0.000 0.000) 2.527 3.973 ( 2.527 0.000 0.000) 2.527 4.354 ( -0.679 0.000 0.000) 0.679 4.354 ( 0.679 0.000 0.000) 0.679 4.484 ( -1.004 0.000 0.000) 1.004 4.484 ( 1.004 0.000 0.000) 1.004 4.589 ( -2.160 0.000 0.000) 2.160 4.589 ( 2.160 0.000 0.000) 2.160 4.813 ( -0.499 0.000 0.000) 0.499 4.813 ( 0.499 0.000 0.000) 0.499 5.395 ( -1.140 0.000 0.000) 1.140 5.395 ( 1.140 0.000 0.000) 1.140 5.668 ( -4.288 0.000 0.000) 4.288 5.668 ( 4.288 0.000 0.000) 4.288 6.516 ( -0.350 0.000 0.000) 0.350 6.516 ( 0.350 0.000 0.000) 0.350 6.594 ( -1.590 0.000 0.000) 1.590 6.594 ( 1.590 0.000 0.000) 1.590 7.060 ( -0.974 0.000 0.000) 0.974 7.060 ( 0.974 0.000 0.000) 0.974 7.166 ( -0.810 0.000 0.000) 0.810 7.166 ( 0.810 0.000 0.000) 0.810 7.373 ( -0.690 0.000 0.000) 0.690 7.373 ( 0.690 0.000 0.000) 0.690 7.503 ( -0.117 0.000 0.000) 0.117 7.503 ( 0.117 0.000 0.000) 0.117 7.537 ( -0.472 0.000 0.000) 0.472 7.537 ( 0.472 0.000 0.000) 0.472 8.147 ( -0.936 0.000 0.000) 0.936 8.147 ( 0.936 0.000 0.000) 0.936 10.681 ( -0.746 0.000 0.000) 0.746 10.681 ( 0.746 0.000 0.000) 0.746 10.738 ( -0.241 0.000 0.000) 0.241 10.738 ( 0.241 0.000 0.000) 0.241 11.248 ( -0.612 0.000 0.000) 0.612 11.248 ( 0.612 0.000 0.000) 0.612 11.289 ( -0.882 0.000 0.000) 0.882 11.289 ( 0.882 0.000 0.000) 0.882 11.293 ( -0.096 0.000 0.000) 0.096 11.293 ( 0.096 0.000 0.000) 0.096 11.465 ( -0.719 0.000 0.000) 0.719 11.465 ( 0.719 0.000 0.000) 0.719 12.447 ( -0.300 0.000 0.000) 0.300 12.447 ( 0.300 0.000 0.000) 0.300 12.481 ( -0.366 0.000 0.000) 0.366 12.481 ( 0.366 0.000 0.000) 0.366 13.766 ( -1.013 0.000 0.000) 1.013 13.766 ( 1.013 0.000 0.000) 1.013 13.902 ( -1.835 0.000 0.000) 1.835 13.902 ( 1.835 0.000 0.000) 1.835 ======================= Grid point 5 (4/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 0.000 14.439 0.000) 14.439 0.626 ( 0.000 32.808 0.000) 32.808 0.805 ( 0.000 24.981 0.000) 24.981 0.925 ( 0.000 -2.872 0.000) 2.872 1.076 ( 0.000 53.319 0.000) 53.319 1.141 ( 0.000 38.045 0.000) 38.045 1.642 ( 0.000 29.296 0.000) 29.296 1.718 ( 0.000 35.459 0.000) 35.459 1.777 ( 0.000 8.533 0.000) 8.533 1.803 ( 0.000 8.761 0.000) 8.761 2.322 ( 0.000 -4.331 0.000) 4.331 2.371 ( 0.000 -4.967 0.000) 4.967 2.540 ( 0.000 -1.236 0.000) 1.236 2.625 ( 0.000 -2.093 0.000) 2.093 2.635 ( 0.000 3.370 0.000) 3.370 2.712 ( 0.000 6.559 0.000) 6.559 3.331 ( 0.000 -7.999 0.000) 7.999 3.357 ( 0.000 -12.057 0.000) 12.057 3.548 ( 0.000 -2.249 0.000) 2.249 3.577 ( 0.000 -1.735 0.000) 1.735 3.671 ( 0.000 3.721 0.000) 3.721 3.846 ( 0.000 4.837 0.000) 4.837 3.980 ( 0.000 8.575 0.000) 8.575 4.105 ( 0.000 7.675 0.000) 7.675 4.273 ( 0.000 -6.887 0.000) 6.887 4.294 ( 0.000 -6.946 0.000) 6.946 4.503 ( 0.000 -0.837 0.000) 0.837 4.527 ( 0.000 2.240 0.000) 2.240 4.556 ( 0.000 2.553 0.000) 2.553 4.572 ( 0.000 -3.201 0.000) 3.201 4.811 ( 0.000 0.174 0.000) 0.174 4.835 ( 0.000 -4.164 0.000) 4.164 5.367 ( 0.000 0.472 0.000) 0.472 5.379 ( 0.000 -2.176 0.000) 2.176 5.649 ( 0.000 6.199 0.000) 6.199 5.804 ( 0.000 3.856 0.000) 3.856 6.446 ( 0.000 -5.947 0.000) 5.947 6.451 ( 0.000 -7.690 0.000) 7.690 6.532 ( 0.000 -3.846 0.000) 3.846 6.584 ( 0.000 -4.860 0.000) 4.860 6.943 ( 0.000 -8.484 0.000) 8.484 6.979 ( 0.000 -8.554 0.000) 8.554 7.167 ( 0.000 2.411 0.000) 2.411 7.211 ( 0.000 2.719 0.000) 2.719 7.431 ( 0.000 0.608 0.000) 0.608 7.449 ( 0.000 6.608 0.000) 6.608 7.485 ( 0.000 -1.326 0.000) 1.326 7.489 ( 0.000 -0.724 0.000) 0.724 7.518 ( 0.000 -2.733 0.000) 2.733 7.539 ( 0.000 2.783 0.000) 2.783 8.093 ( 0.000 -3.205 0.000) 3.205 8.122 ( 0.000 -3.423 0.000) 3.423 10.694 ( 0.000 3.028 0.000) 3.028 10.698 ( 0.000 0.028 0.000) 0.028 10.732 ( 0.000 -0.179 0.000) 0.179 10.763 ( 0.000 3.168 0.000) 3.168 11.262 ( 0.000 1.313 0.000) 1.313 11.264 ( 0.000 2.555 0.000) 2.555 11.326 ( 0.000 2.795 0.000) 2.795 11.334 ( 0.000 4.289 0.000) 4.289 11.342 ( 0.000 5.821 0.000) 5.821 11.475 ( 0.000 2.682 0.000) 2.682 11.512 ( 0.000 3.071 0.000) 3.071 11.646 ( 0.000 -0.523 0.000) 0.523 12.456 ( 0.000 -0.247 0.000) 0.247 12.456 ( 0.000 0.243 0.000) 0.243 12.461 ( 0.000 -0.106 0.000) 0.106 12.482 ( 0.000 -0.493 0.000) 0.493 13.738 ( 0.000 -0.378 0.000) 0.378 13.782 ( 0.000 -0.721 0.000) 0.721 13.858 ( 0.000 -0.270 0.000) 0.270 13.948 ( 0.000 -2.098 0.000) 2.098 ======================= Grid point 6 (5/75) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 13.383 7.867 0.000) 15.524 0.658 ( 3.147 31.160 0.000) 31.318 0.785 ( -2.270 25.544 0.000) 25.644 0.849 ( -7.447 1.491 0.000) 7.595 1.106 ( 2.876 49.836 0.000) 49.919 1.161 ( 1.124 36.444 0.000) 36.461 1.651 ( 0.907 29.972 0.000) 29.986 1.703 ( -1.396 34.135 0.000) 34.163 1.782 ( 0.491 8.925 0.000) 8.939 1.799 ( -0.347 8.743 0.000) 8.750 2.321 ( 0.092 -4.171 0.000) 4.172 2.358 ( -1.339 -4.622 0.000) 4.812 2.549 ( 0.989 -1.162 0.000) 1.526 2.601 ( -1.527 -0.422 0.000) 1.584 2.650 ( 0.831 2.753 0.000) 2.876 2.697 ( -1.424 6.007 0.000) 6.173 3.338 ( 0.631 -8.467 0.000) 8.490 3.357 ( -0.143 -11.246 0.000) 11.247 3.552 ( 0.420 -2.273 0.000) 2.311 3.572 ( -0.478 -1.875 0.000) 1.935 3.688 ( 1.716 3.584 0.000) 3.973 3.801 ( -3.819 4.565 0.000) 5.952 4.011 ( 2.550 8.324 0.000) 8.705 4.092 ( -1.366 7.705 0.000) 7.825 4.278 ( 0.466 -6.856 0.000) 6.872 4.294 ( -0.144 -6.890 0.000) 6.891 4.499 ( 0.068 0.071 0.000) 0.098 4.536 ( -1.573 1.110 0.000) 1.925 4.549 ( 1.733 0.847 0.000) 1.929 4.581 ( 0.385 -1.916 0.000) 1.955 4.806 ( -0.449 -0.032 0.000) 0.450 4.808 ( -1.448 -1.296 0.000) 1.943 5.372 ( 0.374 0.105 0.000) 0.388 5.380 ( 0.034 -1.765 0.000) 1.766 5.669 ( 2.168 5.800 0.000) 6.192 5.781 ( -2.476 3.936 0.000) 4.650 6.447 ( 0.042 -6.132 0.000) 6.132 6.448 ( -0.143 -7.074 0.000) 7.076 6.537 ( 0.694 -3.896 0.000) 3.957 6.576 ( -0.839 -4.731 0.000) 4.805 6.948 ( 0.539 -8.477 0.000) 8.494 6.975 ( -0.552 -8.621 0.000) 8.638 7.174 ( 0.743 2.364 0.000) 2.478 7.205 ( -0.611 2.601 0.000) 2.672 7.432 ( 0.091 1.280 0.000) 1.283 7.444 ( -0.478 4.892 0.000) 4.915 7.489 ( 0.406 -1.553 0.000) 1.605 7.496 ( 0.467 -0.077 0.000) 0.473 7.517 ( -0.002 -1.802 0.000) 1.802 7.534 ( -0.463 2.532 0.000) 2.574 8.099 ( 0.557 -3.290 0.000) 3.337 8.121 ( -0.271 -3.702 0.000) 3.712 10.693 ( -0.063 2.126 0.000) 2.127 10.695 ( -0.170 0.293 0.000) 0.338 10.739 ( 0.721 0.726 0.000) 1.023 10.764 ( -0.162 2.552 0.000) 2.557 11.264 ( 0.209 1.357 0.000) 1.373 11.266 ( 0.155 2.334 0.000) 2.339 11.323 ( -0.232 3.204 0.000) 3.212 11.326 ( -0.476 4.639 0.000) 4.663 11.354 ( 1.032 5.603 0.000) 5.698 11.462 ( -3.301 4.213 0.000) 5.352 11.508 ( -0.421 3.134 0.000) 3.163 11.515 ( -5.243 7.209 0.000) 8.913 12.448 ( -0.211 0.117 0.000) 0.241 12.456 ( -0.446 -0.016 0.000) 0.446 12.469 ( 0.693 -0.171 0.000) 0.714 12.482 ( -0.020 -0.317 0.000) 0.318 13.745 ( 0.684 -0.411 0.000) 0.798 13.776 ( -0.651 -0.656 0.000) 0.924 13.868 ( 1.049 -0.482 0.000) 1.155 13.926 ( -1.749 -1.264 0.000) 2.158 ======================= Grid point 7 (6/75) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -11.602 4.452 0.000) 12.427 0.672 ( 11.602 4.452 0.000) 12.427 0.726 ( -3.864 27.908 0.000) 28.174 0.726 ( 3.864 27.908 0.000) 28.174 1.156 ( -1.868 41.646 0.000) 41.688 1.156 ( 1.868 41.646 0.000) 41.688 1.674 ( -1.557 31.978 0.000) 32.016 1.674 ( 1.557 31.978 0.000) 32.016 1.791 ( -0.462 8.781 0.000) 8.793 1.791 ( 0.462 8.781 0.000) 8.793 2.332 ( -1.165 -4.177 0.000) 4.336 2.332 ( 1.165 -4.177 0.000) 4.336 2.573 ( -1.502 -0.903 0.000) 1.753 2.573 ( 1.502 -0.903 0.000) 1.753 2.670 ( -1.336 4.553 0.000) 4.745 2.670 ( 1.336 4.553 0.000) 4.745 3.350 ( -0.581 -9.655 0.000) 9.672 3.350 ( 0.581 -9.655 0.000) 9.672 3.562 ( -0.591 -2.176 0.000) 2.255 3.562 ( 0.591 -2.176 0.000) 2.255 3.733 ( -3.198 3.913 0.000) 5.053 3.733 ( 3.198 3.913 0.000) 5.053 4.057 ( -2.326 7.939 0.000) 8.272 4.057 ( 2.326 7.939 0.000) 8.272 4.287 ( -0.500 -6.808 0.000) 6.827 4.287 ( 0.500 -6.808 0.000) 6.827 4.510 ( -1.121 0.560 0.000) 1.254 4.510 ( 1.121 0.560 0.000) 1.254 4.576 ( -1.000 -0.679 0.000) 1.208 4.576 ( 1.000 -0.679 0.000) 1.208 4.798 ( -0.208 -0.460 0.000) 0.505 4.798 ( 0.208 -0.460 0.000) 0.505 5.378 ( -0.275 -0.780 0.000) 0.827 5.378 ( 0.275 -0.780 0.000) 0.827 5.723 ( -3.436 4.823 0.000) 5.921 5.723 ( 3.436 4.823 0.000) 5.921 6.447 ( -0.014 -6.588 0.000) 6.588 6.447 ( 0.014 -6.588 0.000) 6.588 6.556 ( -1.188 -4.357 0.000) 4.516 6.556 ( 1.188 -4.357 0.000) 4.516 6.961 ( -0.809 -8.508 0.000) 8.546 6.961 ( 0.809 -8.508 0.000) 8.546 7.190 ( -0.945 2.402 0.000) 2.581 7.190 ( 0.945 2.402 0.000) 2.581 7.436 ( -0.335 2.847 0.000) 2.866 7.436 ( 0.335 2.847 0.000) 2.866 7.497 ( -0.348 -1.540 0.000) 1.579 7.497 ( 0.348 -1.540 0.000) 1.579 7.523 ( -0.628 1.369 0.000) 1.506 7.523 ( 0.628 1.369 0.000) 1.506 8.111 ( -0.724 -3.513 0.000) 3.586 8.111 ( 0.724 -3.513 0.000) 3.586 10.693 ( -0.052 0.929 0.000) 0.931 10.693 ( 0.052 0.929 0.000) 0.931 10.754 ( -0.806 1.896 0.000) 2.060 10.754 ( 0.806 1.896 0.000) 2.060 11.267 ( -0.049 1.729 0.000) 1.730 11.267 ( 0.049 1.729 0.000) 1.730 11.321 ( -0.089 4.136 0.000) 4.137 11.321 ( 0.089 4.136 0.000) 4.137 11.385 ( -2.799 6.624 0.000) 7.191 11.385 ( 2.799 6.624 0.000) 7.191 11.499 ( -0.422 3.489 0.000) 3.514 11.499 ( 0.422 3.489 0.000) 3.514 12.449 ( -0.249 0.110 0.000) 0.272 12.449 ( 0.249 0.110 0.000) 0.272 12.479 ( -0.366 -0.288 0.000) 0.466 12.479 ( 0.366 -0.288 0.000) 0.466 13.761 ( -0.936 -0.519 0.000) 1.070 13.761 ( 0.936 -0.519 0.000) 1.070 13.894 ( -1.694 -0.913 0.000) 1.925 13.894 ( 1.694 -0.913 0.000) 1.925 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 15.047 0.000) 15.047 0.899 ( 0.000 0.249 0.000) 0.249 1.250 ( 0.000 32.201 0.000) 32.201 1.338 ( 0.000 29.266 0.000) 29.266 1.710 ( 0.000 14.262 0.000) 14.262 1.858 ( 0.000 17.783 0.000) 17.783 1.990 ( 0.000 14.448 0.000) 14.448 2.006 ( 0.000 12.439 0.000) 12.439 2.205 ( 0.000 19.785 0.000) 19.785 2.353 ( 0.000 12.932 0.000) 12.932 2.442 ( 0.000 26.501 0.000) 26.501 2.476 ( 0.000 19.420 0.000) 19.420 2.589 ( 0.000 20.346 0.000) 20.346 2.597 ( 0.000 4.951 0.000) 4.951 2.691 ( 0.000 2.728 0.000) 2.728 2.805 ( 0.000 3.527 0.000) 3.527 3.127 ( 0.000 -10.110 0.000) 10.110 3.221 ( 0.000 -2.198 0.000) 2.198 3.520 ( 0.000 -0.316 0.000) 0.316 3.548 ( 0.000 -1.318 0.000) 1.318 3.691 ( 0.000 -1.990 0.000) 1.990 3.872 ( 0.000 -2.759 0.000) 2.759 4.080 ( 0.000 -12.831 0.000) 12.831 4.115 ( 0.000 -12.218 0.000) 12.218 4.194 ( 0.000 13.149 0.000) 13.149 4.276 ( 0.000 9.401 0.000) 9.401 4.461 ( 0.000 -9.063 0.000) 9.063 4.498 ( 0.000 -10.041 0.000) 10.041 4.499 ( 0.000 1.801 0.000) 1.801 4.521 ( 0.000 -1.267 0.000) 1.267 4.861 ( 0.000 8.616 0.000) 8.616 4.916 ( 0.000 10.300 0.000) 10.300 5.372 ( 0.000 1.395 0.000) 1.395 5.403 ( 0.000 3.458 0.000) 3.458 5.767 ( 0.000 5.726 0.000) 5.726 5.878 ( 0.000 3.133 0.000) 3.133 6.261 ( 0.000 -12.208 0.000) 12.208 6.290 ( 0.000 -10.405 0.000) 10.405 6.410 ( 0.000 -8.468 0.000) 8.468 6.442 ( 0.000 -9.630 0.000) 9.630 6.760 ( 0.000 -10.068 0.000) 10.068 6.802 ( 0.000 -9.529 0.000) 9.529 7.215 ( 0.000 2.393 0.000) 2.393 7.270 ( 0.000 2.996 0.000) 2.996 7.375 ( 0.000 -5.030 0.000) 5.030 7.415 ( 0.000 -6.005 0.000) 6.005 7.454 ( 0.000 -1.712 0.000) 1.712 7.475 ( 0.000 -0.676 0.000) 0.676 7.599 ( 0.000 6.793 0.000) 6.793 7.641 ( 0.000 6.103 0.000) 6.103 8.011 ( 0.000 -5.077 0.000) 5.077 8.035 ( 0.000 -5.339 0.000) 5.339 10.699 ( 0.000 0.185 0.000) 0.185 10.728 ( 0.000 -0.166 0.000) 0.166 10.765 ( 0.000 3.934 0.000) 3.934 10.833 ( 0.000 3.655 0.000) 3.655 11.312 ( 0.000 3.832 0.000) 3.832 11.320 ( 0.000 3.535 0.000) 3.535 11.412 ( 0.000 5.724 0.000) 5.724 11.429 ( 0.000 5.074 0.000) 5.074 11.470 ( 0.000 6.886 0.000) 6.886 11.534 ( 0.000 2.620 0.000) 2.620 11.592 ( 0.000 5.013 0.000) 5.013 11.648 ( 0.000 1.445 0.000) 1.445 12.448 ( 0.000 -0.546 0.000) 0.546 12.457 ( 0.000 -0.384 0.000) 0.384 12.458 ( 0.000 -0.190 0.000) 0.190 12.467 ( 0.000 -1.141 0.000) 1.141 13.729 ( 0.000 -0.512 0.000) 0.512 13.764 ( 0.000 -1.125 0.000) 1.125 13.849 ( 0.000 -0.650 0.000) 0.650 13.897 ( 0.000 -2.938 0.000) 2.938 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 6.659 11.574 0.000) 13.353 0.863 ( -3.917 1.797 0.000) 4.309 1.264 ( 1.475 31.717 0.000) 31.751 1.327 ( -1.190 29.614 0.000) 29.638 1.731 ( 2.180 14.047 0.000) 14.215 1.837 ( -2.243 16.383 0.000) 16.535 1.992 ( 0.141 14.219 0.000) 14.220 2.002 ( -0.353 12.862 0.000) 12.867 2.225 ( 2.102 19.088 0.000) 19.203 2.329 ( -2.439 14.582 0.000) 14.784 2.451 ( 0.824 25.976 0.000) 25.989 2.475 ( -0.174 19.970 0.000) 19.970 2.593 ( 0.335 18.501 0.000) 18.504 2.597 ( -0.023 7.236 0.000) 7.237 2.704 ( 1.336 2.695 0.000) 3.009 2.782 ( -2.183 3.227 0.000) 3.896 3.147 ( 1.874 -8.806 0.000) 9.003 3.212 ( -1.041 -3.318 0.000) 3.477 3.523 ( 0.338 -0.458 0.000) 0.570 3.543 ( -0.530 -1.175 0.000) 1.290 3.709 ( 1.961 -1.839 0.000) 2.688 3.833 ( -3.686 -1.993 0.000) 4.190 4.086 ( 0.538 -12.863 0.000) 12.874 4.110 ( -0.529 -12.528 0.000) 12.539 4.211 ( 1.575 12.136 0.000) 12.238 4.266 ( -0.990 9.765 0.000) 9.815 4.452 ( -0.378 -7.184 0.000) 7.194 4.479 ( -1.495 -8.138 0.000) 8.275 4.517 ( 1.352 -0.697 0.000) 1.521 4.531 ( 0.607 -2.533 0.000) 2.605 4.867 ( 0.704 9.147 0.000) 9.174 4.907 ( -0.938 10.198 0.000) 10.241 5.379 ( 0.665 1.665 0.000) 1.793 5.401 ( -0.299 3.121 0.000) 3.135 5.781 ( 1.449 5.346 0.000) 5.539 5.859 ( -1.886 3.449 0.000) 3.931 6.266 ( 0.523 -11.829 0.000) 11.840 6.287 ( -0.375 -10.620 0.000) 10.627 6.414 ( 0.419 -8.586 0.000) 8.597 6.437 ( -0.520 -9.440 0.000) 9.455 6.766 ( 0.643 -9.976 0.000) 9.997 6.796 ( -0.629 -9.603 0.000) 9.623 7.222 ( 0.744 2.365 0.000) 2.479 7.260 ( -0.921 2.697 0.000) 2.850 7.382 ( 0.740 -4.902 0.000) 4.958 7.410 ( -0.495 -5.717 0.000) 5.739 7.456 ( 0.210 -1.581 0.000) 1.595 7.470 ( -0.453 -0.768 0.000) 0.892 7.607 ( 0.751 6.575 0.000) 6.617 7.636 ( -0.523 6.145 0.000) 6.167 8.015 ( 0.393 -5.145 0.000) 5.160 8.032 ( -0.309 -5.361 0.000) 5.370 10.700 ( 0.145 0.282 0.000) 0.317 10.718 ( -0.780 0.384 0.000) 0.869 10.782 ( 1.438 3.366 0.000) 3.660 10.827 ( -0.682 3.490 0.000) 3.556 11.314 ( 0.147 3.742 0.000) 3.745 11.320 ( -0.088 3.521 0.000) 3.522 11.416 ( 0.343 5.846 0.000) 5.856 11.429 ( -0.089 5.403 0.000) 5.404 11.473 ( 0.430 6.246 0.000) 6.261 11.524 ( -1.192 2.585 0.000) 2.847 11.590 ( -0.177 5.156 0.000) 5.159 11.615 ( -2.446 4.305 0.000) 4.952 12.447 ( -0.015 -0.271 0.000) 0.272 12.453 ( -0.274 -0.293 0.000) 0.401 12.462 ( 0.339 -0.568 0.000) 0.661 12.469 ( 0.082 -1.092 0.000) 1.095 13.735 ( 0.558 -0.605 0.000) 0.823 13.759 ( -0.495 -1.032 0.000) 1.144 13.854 ( 0.543 -0.918 0.000) 1.067 13.888 ( -0.949 -2.454 0.000) 2.631 ======================= Grid point 12 (9/75) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -7.112 5.912 0.000) 9.248 0.759 ( 7.112 5.912 0.000) 9.248 1.297 ( -1.896 30.605 0.000) 30.664 1.297 ( 1.896 30.605 0.000) 30.664 1.783 ( -3.252 14.438 0.000) 14.800 1.783 ( 3.252 14.438 0.000) 14.800 1.996 ( -0.322 13.627 0.000) 13.630 1.996 ( 0.322 13.627 0.000) 13.630 2.275 ( -3.110 17.150 0.000) 17.430 2.275 ( 3.110 17.150 0.000) 17.430 2.467 ( -0.763 23.107 0.000) 23.120 2.467 ( 0.763 23.107 0.000) 23.120 2.597 ( -0.049 13.123 0.000) 13.123 2.597 ( 0.049 13.123 0.000) 13.123 2.738 ( -2.293 2.816 0.000) 3.632 2.738 ( 2.293 2.816 0.000) 3.632 3.184 ( -1.912 -6.017 0.000) 6.313 3.184 ( 1.912 -6.017 0.000) 6.313 3.532 ( -0.572 -0.815 0.000) 0.996 3.532 ( 0.572 -0.815 0.000) 0.996 3.761 ( -3.664 -1.600 0.000) 3.998 3.761 ( 3.664 -1.600 0.000) 3.998 4.098 ( -0.723 -12.835 0.000) 12.855 4.098 ( 0.723 -12.835 0.000) 12.855 4.242 ( -1.580 10.737 0.000) 10.853 4.242 ( 1.580 10.737 0.000) 10.853 4.456 ( -0.812 -7.236 0.000) 7.282 4.456 ( 0.812 -7.236 0.000) 7.282 4.534 ( -0.366 -2.055 0.000) 2.088 4.534 ( 0.366 -2.055 0.000) 2.088 4.885 ( -1.214 9.845 0.000) 9.920 4.885 ( 1.214 9.845 0.000) 9.920 5.392 ( -0.655 2.366 0.000) 2.455 5.392 ( 0.655 2.366 0.000) 2.455 5.818 ( -2.377 4.378 0.000) 4.982 5.818 ( 2.377 4.378 0.000) 4.982 6.277 ( -0.637 -11.163 0.000) 11.181 6.277 ( 0.637 -11.163 0.000) 11.181 6.425 ( -0.702 -8.990 0.000) 9.017 6.425 ( 0.702 -8.990 0.000) 9.017 6.781 ( -0.906 -9.776 0.000) 9.818 6.781 ( 0.906 -9.776 0.000) 9.818 7.240 ( -1.132 2.399 0.000) 2.653 7.240 ( 1.132 2.399 0.000) 2.653 7.398 ( -0.844 -5.122 0.000) 5.191 7.398 ( 0.844 -5.122 0.000) 5.191 7.461 ( -0.417 -1.182 0.000) 1.254 7.461 ( 0.417 -1.182 0.000) 1.254 7.623 ( -0.857 6.290 0.000) 6.348 7.623 ( 0.857 6.290 0.000) 6.348 8.024 ( -0.518 -5.290 0.000) 5.315 8.024 ( 0.518 -5.290 0.000) 5.315 10.706 ( -0.465 0.435 0.000) 0.637 10.706 ( 0.465 0.435 0.000) 0.637 10.808 ( -1.342 3.288 0.000) 3.551 10.808 ( 1.342 3.288 0.000) 3.551 11.317 ( -0.188 3.580 0.000) 3.585 11.317 ( 0.188 3.580 0.000) 3.585 11.424 ( -0.463 5.904 0.000) 5.922 11.424 ( 0.463 5.904 0.000) 5.922 11.493 ( -1.746 4.406 0.000) 4.739 11.493 ( 1.746 4.406 0.000) 4.739 11.590 ( -0.395 5.530 0.000) 5.544 11.590 ( 0.395 5.530 0.000) 5.544 12.449 ( -0.174 -0.162 0.000) 0.238 12.449 ( 0.174 -0.162 0.000) 0.238 12.468 ( -0.191 -0.934 0.000) 0.954 12.468 ( 0.191 -0.934 0.000) 0.954 13.748 ( -0.740 -0.820 0.000) 1.104 13.748 ( 0.740 -0.820 0.000) 1.104 13.869 ( -0.991 -1.609 0.000) 1.889 13.869 ( 0.991 -1.609 0.000) 1.889 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 13.567 0.000) 13.567 0.941 ( 0.000 4.148 0.000) 4.148 1.780 ( 0.000 -0.657 0.000) 0.657 1.835 ( 0.000 26.999 0.000) 26.999 1.870 ( 0.000 22.742 0.000) 22.742 1.882 ( 0.000 -3.991 0.000) 3.991 2.217 ( 0.000 -4.485 0.000) 4.485 2.285 ( 0.000 -7.047 0.000) 7.047 2.290 ( 0.000 14.135 0.000) 14.135 2.296 ( 0.000 13.442 0.000) 13.442 2.768 ( 0.000 6.520 0.000) 6.520 2.849 ( 0.000 7.211 0.000) 7.211 2.913 ( 0.000 15.672 0.000) 15.672 2.965 ( 0.000 0.775 0.000) 0.775 2.975 ( 0.000 20.527 0.000) 20.527 3.095 ( 0.000 30.220 0.000) 30.220 3.156 ( 0.000 14.833 0.000) 14.833 3.241 ( 0.000 2.289 0.000) 2.289 3.523 ( 0.000 -0.840 0.000) 0.840 3.539 ( 0.000 2.510 0.000) 2.510 3.578 ( 0.000 -12.834 0.000) 12.834 3.761 ( 0.000 -11.376 0.000) 11.376 3.896 ( 0.000 -1.673 0.000) 1.673 3.899 ( 0.000 1.607 0.000) 1.607 4.242 ( 0.000 -12.053 0.000) 12.053 4.250 ( 0.000 -13.102 0.000) 13.102 4.470 ( 0.000 15.231 0.000) 15.231 4.474 ( 0.000 11.271 0.000) 11.271 4.510 ( 0.000 -1.259 0.000) 1.259 4.546 ( 0.000 0.877 0.000) 0.877 5.086 ( 0.000 13.057 0.000) 13.057 5.138 ( 0.000 11.663 0.000) 11.663 5.432 ( 0.000 5.215 0.000) 5.215 5.501 ( 0.000 6.781 0.000) 6.781 5.847 ( 0.000 1.887 0.000) 1.887 5.894 ( 0.000 -2.139 0.000) 2.139 5.985 ( 0.000 -16.319 0.000) 16.319 6.035 ( 0.000 -16.450 0.000) 16.450 6.233 ( 0.000 -9.317 0.000) 9.317 6.246 ( 0.000 -9.885 0.000) 9.885 6.581 ( 0.000 -7.912 0.000) 7.912 6.631 ( 0.000 -7.830 0.000) 7.830 7.256 ( 0.000 1.896 0.000) 1.896 7.271 ( 0.000 -5.218 0.000) 5.218 7.292 ( 0.000 -6.238 0.000) 6.238 7.314 ( 0.000 1.397 0.000) 1.397 7.427 ( 0.000 -0.882 0.000) 0.882 7.462 ( 0.000 -0.724 0.000) 0.724 7.710 ( 0.000 4.672 0.000) 4.672 7.743 ( 0.000 4.441 0.000) 4.441 7.913 ( 0.000 -4.866 0.000) 4.866 7.934 ( 0.000 -4.790 0.000) 4.790 10.705 ( 0.000 0.385 0.000) 0.385 10.725 ( 0.000 -0.181 0.000) 0.181 10.832 ( 0.000 2.981 0.000) 2.981 10.886 ( 0.000 1.645 0.000) 1.645 11.400 ( 0.000 4.910 0.000) 4.910 11.403 ( 0.000 4.842 0.000) 4.842 11.511 ( 0.000 3.236 0.000) 3.236 11.519 ( 0.000 4.930 0.000) 4.930 11.558 ( 0.000 0.313 0.000) 0.313 11.581 ( 0.000 4.155 0.000) 4.155 11.691 ( 0.000 5.008 0.000) 5.008 11.710 ( 0.000 4.215 0.000) 4.215 12.436 ( 0.000 -0.581 0.000) 0.581 12.440 ( 0.000 -1.483 0.000) 1.483 12.446 ( 0.000 -0.670 0.000) 0.670 12.446 ( 0.000 -1.044 0.000) 1.044 13.721 ( 0.000 -0.330 0.000) 0.330 13.742 ( 0.000 -1.084 0.000) 1.084 13.834 ( 0.000 -0.897 0.000) 0.897 13.846 ( 0.000 -2.173 0.000) 2.173 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.088 11.854 0.000) 12.036 0.931 ( -1.110 5.234 0.000) 5.350 1.787 ( 0.878 -0.076 0.000) 0.881 1.845 ( 1.027 25.439 0.000) 25.459 1.848 ( -1.842 7.652 0.000) 7.870 1.883 ( -0.376 12.385 0.000) 12.391 2.226 ( 0.958 -4.889 0.000) 4.982 2.273 ( -1.105 -4.414 0.000) 4.550 2.291 ( -0.051 11.617 0.000) 11.617 2.293 ( -0.207 13.401 0.000) 13.403 2.778 ( 1.082 6.382 0.000) 6.473 2.834 ( -1.398 6.375 0.000) 6.527 2.920 ( 0.649 16.437 0.000) 16.450 2.943 ( -0.790 15.152 0.000) 15.173 3.026 ( 3.539 9.376 0.000) 10.022 3.096 ( -0.006 27.638 0.000) 27.638 3.158 ( 0.208 13.856 0.000) 13.857 3.218 ( -2.378 2.280 0.000) 3.294 3.526 ( 0.344 0.057 0.000) 0.349 3.538 ( -0.168 2.257 0.000) 2.263 3.598 ( 2.173 -12.674 0.000) 12.859 3.727 ( -3.373 -11.513 0.000) 11.997 3.897 ( 0.085 -1.073 0.000) 1.076 3.899 ( 0.002 1.187 0.000) 1.187 4.241 ( -0.014 -12.000 0.000) 12.000 4.246 ( -0.279 -12.751 0.000) 12.754 4.470 ( -0.018 14.448 0.000) 14.448 4.472 ( -0.153 11.551 0.000) 11.552 4.519 ( 0.845 -0.853 0.000) 1.201 4.544 ( -0.259 0.494 0.000) 0.557 5.094 ( 0.747 12.835 0.000) 12.857 5.130 ( -0.826 11.844 0.000) 11.873 5.444 ( 1.154 5.353 0.000) 5.476 5.492 ( -0.940 6.452 0.000) 6.520 5.851 ( 0.488 1.332 0.000) 1.419 5.884 ( -0.983 -1.651 0.000) 1.922 5.996 ( 0.980 -16.117 0.000) 16.147 6.029 ( -0.563 -16.350 0.000) 16.360 6.235 ( 0.182 -9.393 0.000) 9.395 6.244 ( -0.218 -9.804 0.000) 9.806 6.589 ( 0.807 -7.871 0.000) 7.912 6.624 ( -0.725 -7.814 0.000) 7.848 7.256 ( 0.120 0.425 0.000) 0.442 7.268 ( -0.349 -4.271 0.000) 4.285 7.297 ( 0.413 -4.733 0.000) 4.751 7.312 ( -0.247 0.321 0.000) 0.405 7.432 ( 0.516 -0.809 0.000) 0.960 7.457 ( -0.565 -0.702 0.000) 0.901 7.716 ( 0.554 4.613 0.000) 4.646 7.739 ( -0.456 4.458 0.000) 4.482 7.916 ( 0.325 -4.863 0.000) 4.874 7.931 ( -0.316 -4.812 0.000) 4.822 10.707 ( 0.203 0.374 0.000) 0.426 10.721 ( -0.424 0.024 0.000) 0.424 10.842 ( 0.949 2.655 0.000) 2.819 10.879 ( -0.688 1.754 0.000) 1.884 11.400 ( 0.003 4.849 0.000) 4.849 11.402 ( -0.090 4.795 0.000) 4.796 11.514 ( 0.301 3.287 0.000) 3.301 11.521 ( 0.101 4.546 0.000) 4.547 11.557 ( 0.019 1.162 0.000) 1.162 11.574 ( -0.627 3.962 0.000) 4.011 11.691 ( 0.045 5.065 0.000) 5.065 11.704 ( -0.566 4.646 0.000) 4.681 12.438 ( 0.174 -0.568 0.000) 0.594 12.441 ( 0.074 -1.265 0.000) 1.267 12.446 ( -0.067 -0.827 0.000) 0.830 12.446 ( -0.055 -1.147 0.000) 1.149 13.724 ( 0.337 -0.455 0.000) 0.566 13.739 ( -0.308 -0.988 0.000) 1.035 13.835 ( 0.107 -1.039 0.000) 1.044 13.843 ( -0.283 -1.930 0.000) 1.951 ======================= Grid point 17 (12/75) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.314 8.239 0.000) 8.558 0.899 ( 2.314 8.239 0.000) 8.558 1.812 ( -1.807 1.998 0.000) 2.694 1.812 ( 1.807 1.998 0.000) 2.694 1.867 ( -1.220 20.851 0.000) 20.886 1.867 ( 1.220 20.851 0.000) 20.886 2.249 ( -1.406 -5.279 0.000) 5.463 2.249 ( 1.406 -5.279 0.000) 5.463 2.290 ( -0.050 12.973 0.000) 12.973 2.290 ( 0.050 12.973 0.000) 12.973 2.805 ( -1.688 6.167 0.000) 6.394 2.805 ( 1.688 6.167 0.000) 6.394 2.932 ( -0.601 17.416 0.000) 17.426 2.932 ( 0.601 17.416 0.000) 17.426 3.082 ( -2.001 17.645 0.000) 17.758 3.082 ( 2.001 17.645 0.000) 17.758 3.173 ( -1.804 7.244 0.000) 7.465 3.173 ( 1.804 7.244 0.000) 7.465 3.533 ( -0.349 1.471 0.000) 1.512 3.533 ( 0.349 1.471 0.000) 1.512 3.655 ( -3.891 -12.052 0.000) 12.665 3.655 ( 3.891 -12.052 0.000) 12.665 3.898 ( -0.084 0.121 0.000) 0.147 3.898 ( 0.084 0.121 0.000) 0.147 4.242 ( -0.128 -12.181 0.000) 12.181 4.242 ( 0.128 -12.181 0.000) 12.181 4.470 ( -0.065 12.842 0.000) 12.843 4.470 ( 0.065 12.842 0.000) 12.843 4.535 ( -0.758 -0.252 0.000) 0.799 4.535 ( 0.758 -0.252 0.000) 0.799 5.112 ( -1.109 12.319 0.000) 12.369 5.112 ( 1.109 12.319 0.000) 12.369 5.469 ( -1.455 5.807 0.000) 5.986 5.469 ( 1.455 5.807 0.000) 5.986 5.865 ( -0.947 -0.126 0.000) 0.956 5.865 ( 0.947 -0.126 0.000) 0.956 6.015 ( -0.989 -16.151 0.000) 16.181 6.015 ( 0.989 -16.151 0.000) 16.181 6.239 ( -0.292 -9.597 0.000) 9.601 6.239 ( 0.292 -9.597 0.000) 9.601 6.607 ( -1.085 -7.814 0.000) 7.889 6.607 ( 1.085 -7.814 0.000) 7.889 7.261 ( -0.339 -2.133 0.000) 2.160 7.261 ( 0.339 -2.133 0.000) 2.160 7.305 ( -0.459 -2.041 0.000) 2.092 7.305 ( 0.459 -2.041 0.000) 2.092 7.444 ( -0.755 -0.711 0.000) 1.037 7.444 ( 0.755 -0.711 0.000) 1.037 7.728 ( -0.707 4.516 0.000) 4.571 7.728 ( 0.707 4.516 0.000) 4.571 7.923 ( -0.457 -4.847 0.000) 4.868 7.923 ( 0.457 -4.847 0.000) 4.868 10.712 ( -0.406 0.281 0.000) 0.494 10.712 ( 0.406 0.281 0.000) 0.494 10.862 ( -1.129 2.112 0.000) 2.395 10.862 ( 1.129 2.112 0.000) 2.395 11.400 ( -0.077 4.769 0.000) 4.770 11.400 ( 0.077 4.769 0.000) 4.770 11.520 ( -0.237 3.622 0.000) 3.630 11.520 ( 0.237 3.622 0.000) 3.630 11.562 ( -0.565 3.030 0.000) 3.082 11.562 ( 0.565 3.030 0.000) 3.082 11.694 ( -0.345 5.070 0.000) 5.082 11.694 ( 0.345 5.070 0.000) 5.082 12.441 ( -0.115 -0.569 0.000) 0.581 12.441 ( 0.115 -0.569 0.000) 0.581 12.445 ( -0.033 -1.348 0.000) 1.349 12.445 ( 0.033 -1.348 0.000) 1.349 13.732 ( -0.459 -0.736 0.000) 0.868 13.732 ( 0.459 -0.736 0.000) 0.868 13.838 ( -0.264 -1.435 0.000) 1.460 13.838 ( 0.264 -1.435 0.000) 1.460 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 5.804 0.000) 5.804 1.035 ( 0.000 4.333 0.000) 4.333 1.775 ( 0.000 0.699 0.000) 0.699 1.811 ( 0.000 -2.980 0.000) 2.980 1.948 ( 0.000 -3.123 0.000) 3.123 1.990 ( 0.000 -6.122 0.000) 6.122 2.456 ( 0.000 19.641 0.000) 19.641 2.461 ( 0.000 3.944 0.000) 3.944 2.465 ( 0.000 3.808 0.000) 3.808 2.470 ( 0.000 19.169 0.000) 19.169 2.960 ( 0.000 11.886 0.000) 11.886 2.999 ( 0.000 2.811 0.000) 2.811 3.017 ( 0.000 9.846 0.000) 9.846 3.026 ( 0.000 -3.308 0.000) 3.308 3.134 ( 0.000 -10.109 0.000) 10.109 3.183 ( 0.000 0.570 0.000) 0.570 3.236 ( 0.000 -16.501 0.000) 16.501 3.291 ( 0.000 -7.068 0.000) 7.068 3.305 ( 0.000 6.088 0.000) 6.088 3.496 ( 0.000 -12.613 0.000) 12.613 3.624 ( 0.000 7.355 0.000) 7.355 3.627 ( 0.000 5.241 0.000) 5.241 4.057 ( 0.000 -5.449 0.000) 5.449 4.060 ( 0.000 -5.503 0.000) 5.503 4.138 ( 0.000 18.100 0.000) 18.100 4.158 ( 0.000 18.495 0.000) 18.495 4.420 ( 0.000 -9.019 0.000) 9.019 4.463 ( 0.000 -10.261 0.000) 10.261 4.721 ( 0.000 12.019 0.000) 12.019 4.743 ( 0.000 10.540 0.000) 10.540 5.297 ( 0.000 7.199 0.000) 7.199 5.314 ( 0.000 5.271 0.000) 5.271 5.578 ( 0.000 9.657 0.000) 9.657 5.652 ( 0.000 7.873 0.000) 7.873 5.690 ( 0.000 -11.300 0.000) 11.300 5.714 ( 0.000 -13.573 0.000) 13.573 5.787 ( 0.000 -8.150 0.000) 8.150 5.814 ( 0.000 -5.340 0.000) 5.340 6.088 ( 0.000 -4.688 0.000) 4.688 6.093 ( 0.000 -5.168 0.000) 5.168 6.488 ( 0.000 -1.360 0.000) 1.360 6.517 ( 0.000 -3.932 0.000) 3.932 7.196 ( 0.000 -2.198 0.000) 2.198 7.201 ( 0.000 -2.802 0.000) 2.802 7.290 ( 0.000 1.707 0.000) 1.707 7.317 ( 0.000 -0.918 0.000) 0.918 7.426 ( 0.000 0.734 0.000) 0.734 7.445 ( 0.000 -1.045 0.000) 1.045 7.780 ( 0.000 2.831 0.000) 2.831 7.810 ( 0.000 2.628 0.000) 2.628 7.835 ( 0.000 -3.189 0.000) 3.189 7.860 ( 0.000 -2.929 0.000) 2.929 10.713 ( 0.000 0.437 0.000) 0.437 10.720 ( 0.000 -0.314 0.000) 0.314 10.877 ( 0.000 1.706 0.000) 1.706 10.897 ( 0.000 -0.342 0.000) 0.342 11.478 ( 0.000 2.655 0.000) 2.655 11.481 ( 0.000 2.486 0.000) 2.486 11.551 ( 0.000 1.087 0.000) 1.087 11.560 ( 0.000 -0.030 0.000) 0.030 11.591 ( 0.000 2.638 0.000) 2.638 11.620 ( 0.000 -0.027 0.000) 0.027 11.767 ( 0.000 2.482 0.000) 2.482 11.774 ( 0.000 1.811 0.000) 1.811 12.419 ( 0.000 -0.532 0.000) 0.532 12.424 ( 0.000 -0.990 0.000) 0.990 12.429 ( 0.000 -0.094 0.000) 0.094 12.434 ( 0.000 -0.522 0.000) 0.522 13.718 ( 0.000 0.090 0.000) 0.090 13.725 ( 0.000 -0.644 0.000) 0.644 13.819 ( 0.000 -0.520 0.000) 0.520 13.819 ( 0.000 -0.662 0.000) 0.662 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.157 5.486 0.000) 5.489 1.037 ( 0.122 4.411 0.000) 4.412 1.774 ( 0.032 0.147 0.000) 0.150 1.799 ( -1.069 -2.408 0.000) 2.635 1.959 ( 1.031 -3.617 0.000) 3.761 1.988 ( -0.296 -5.647 0.000) 5.655 2.456 ( -0.255 6.127 0.000) 6.132 2.460 ( 0.154 10.805 0.000) 10.806 2.462 ( -0.015 12.930 0.000) 12.930 2.474 ( 0.130 17.371 0.000) 17.372 2.963 ( 0.561 10.584 0.000) 10.599 3.007 ( -0.989 9.805 0.000) 9.855 3.036 ( 3.689 1.698 0.000) 4.061 3.042 ( 1.503 -3.609 0.000) 3.909 3.110 ( -1.886 -6.096 0.000) 6.381 3.215 ( 2.644 -2.168 0.000) 3.419 3.222 ( -3.898 -2.085 0.000) 4.420 3.282 ( 2.438 -13.830 0.000) 14.044 3.301 ( -1.150 -0.304 0.000) 1.190 3.449 ( -4.412 -12.512 0.000) 13.268 3.633 ( 0.750 7.135 0.000) 7.174 3.638 ( 0.713 5.248 0.000) 5.297 4.055 ( -0.179 -5.270 0.000) 5.273 4.056 ( -0.286 -4.984 0.000) 4.993 4.144 ( 0.538 17.574 0.000) 17.582 4.157 ( -0.122 18.186 0.000) 18.186 4.427 ( 0.766 -9.200 0.000) 9.232 4.457 ( -0.544 -10.082 0.000) 10.097 4.724 ( 0.320 11.809 0.000) 11.813 4.740 ( -0.365 10.766 0.000) 10.772 5.298 ( 0.154 6.867 0.000) 6.869 5.310 ( -0.367 5.510 0.000) 5.522 5.586 ( 0.810 8.924 0.000) 8.961 5.633 ( -1.493 6.148 0.000) 6.327 5.702 ( 0.826 -10.022 0.000) 10.056 5.714 ( -0.007 -13.065 0.000) 13.065 5.791 ( 0.446 -7.329 0.000) 7.343 5.811 ( -0.379 -5.432 0.000) 5.445 6.089 ( 0.057 -4.760 0.000) 4.760 6.092 ( -0.095 -5.100 0.000) 5.101 6.493 ( 0.515 -1.732 0.000) 1.807 6.514 ( -0.368 -3.552 0.000) 3.571 7.194 ( -0.090 -2.259 0.000) 2.261 7.198 ( -0.254 -2.626 0.000) 2.638 7.296 ( 0.597 1.297 0.000) 1.427 7.315 ( -0.235 -0.499 0.000) 0.551 7.428 ( 0.208 0.402 0.000) 0.453 7.442 ( -0.360 -0.852 0.000) 0.925 7.784 ( 0.478 2.784 0.000) 2.825 7.806 ( -0.443 2.634 0.000) 2.671 7.838 ( 0.400 -3.133 0.000) 3.158 7.857 ( -0.382 -2.958 0.000) 2.983 10.714 ( 0.096 0.353 0.000) 0.366 10.719 ( -0.128 -0.173 0.000) 0.215 10.880 ( 0.334 1.376 0.000) 1.416 10.895 ( -0.276 -0.070 0.000) 0.285 11.477 ( -0.122 2.541 0.000) 2.544 11.479 ( -0.214 2.415 0.000) 2.424 11.556 ( 0.448 1.236 0.000) 1.315 11.563 ( 0.263 0.441 0.000) 0.514 11.593 ( 0.207 2.089 0.000) 2.100 11.614 ( -0.578 0.189 0.000) 0.608 11.767 ( -0.008 2.396 0.000) 2.396 11.772 ( -0.219 1.931 0.000) 1.944 12.420 ( 0.096 -0.600 0.000) 0.608 12.424 ( -0.072 -0.914 0.000) 0.917 12.430 ( 0.095 -0.175 0.000) 0.199 12.433 ( -0.041 -0.469 0.000) 0.471 13.719 ( 0.103 -0.021 0.000) 0.105 13.724 ( -0.107 -0.542 0.000) 0.552 13.818 ( -0.033 -0.529 0.000) 0.530 13.819 ( -0.042 -0.626 0.000) 0.628 ======================= Grid point 22 (15/75) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.063 4.828 0.000) 4.828 1.037 ( 0.063 4.828 0.000) 4.828 1.781 ( -0.727 -1.121 0.000) 1.337 1.781 ( 0.727 -1.121 0.000) 1.337 1.977 ( -0.837 -4.643 0.000) 4.718 1.977 ( 0.837 -4.643 0.000) 4.718 2.455 ( -0.189 5.039 0.000) 5.042 2.455 ( 0.189 5.039 0.000) 5.042 2.471 ( -0.445 18.898 0.000) 18.904 2.471 ( 0.445 18.898 0.000) 18.904 2.983 ( -1.448 9.698 0.000) 9.806 2.983 ( 1.448 9.698 0.000) 9.806 3.074 ( -1.844 -5.905 0.000) 6.187 3.074 ( 1.844 -5.905 0.000) 6.187 3.126 ( -5.619 2.683 0.000) 6.227 3.126 ( 5.619 2.683 0.000) 6.227 3.265 ( -2.538 -2.326 0.000) 3.443 3.265 ( 2.538 -2.326 0.000) 3.443 3.358 ( -5.028 -13.677 0.000) 14.572 3.358 ( 5.028 -13.677 0.000) 14.572 3.643 ( -0.238 6.309 0.000) 6.314 3.643 ( 0.238 6.309 0.000) 6.314 4.053 ( -0.006 -4.902 0.000) 4.902 4.053 ( 0.006 -4.902 0.000) 4.902 4.153 ( -0.379 17.588 0.000) 17.592 4.153 ( 0.379 17.588 0.000) 17.592 4.444 ( -0.908 -9.643 0.000) 9.686 4.444 ( 0.908 -9.643 0.000) 9.686 4.732 ( -0.483 11.295 0.000) 11.305 4.732 ( 0.483 11.295 0.000) 11.305 5.303 ( -0.361 6.141 0.000) 6.152 5.303 ( 0.361 6.141 0.000) 6.152 5.606 ( -1.334 7.257 0.000) 7.379 5.606 ( 1.334 7.257 0.000) 7.379 5.712 ( -0.272 -11.614 0.000) 11.617 5.712 ( 0.272 -11.614 0.000) 11.617 5.801 ( -0.619 -6.001 0.000) 6.032 5.801 ( 0.619 -6.001 0.000) 6.032 6.090 ( -0.109 -4.932 0.000) 4.933 6.090 ( 0.109 -4.932 0.000) 4.933 6.505 ( -0.625 -2.638 0.000) 2.711 6.505 ( 0.625 -2.638 0.000) 2.711 7.194 ( -0.084 -2.400 0.000) 2.402 7.194 ( 0.084 -2.400 0.000) 2.402 7.308 ( -0.573 0.423 0.000) 0.712 7.308 ( 0.573 0.423 0.000) 0.712 7.434 ( -0.416 -0.299 0.000) 0.512 7.434 ( 0.416 -0.299 0.000) 0.512 7.795 ( -0.649 2.692 0.000) 2.769 7.795 ( 0.649 2.692 0.000) 2.769 7.848 ( -0.552 -3.035 0.000) 3.085 7.848 ( 0.552 -3.035 0.000) 3.085 10.716 ( -0.157 0.119 0.000) 0.197 10.716 ( 0.157 0.119 0.000) 0.197 10.888 ( -0.432 0.624 0.000) 0.759 10.888 ( 0.432 0.624 0.000) 0.759 11.476 ( -0.058 2.402 0.000) 2.403 11.476 ( 0.058 2.402 0.000) 2.403 11.564 ( -0.280 1.249 0.000) 1.280 11.564 ( 0.280 1.249 0.000) 1.280 11.601 ( -0.702 0.855 0.000) 1.106 11.601 ( 0.702 0.855 0.000) 1.106 11.768 ( -0.146 2.180 0.000) 2.185 11.768 ( 0.146 2.180 0.000) 2.185 12.422 ( -0.117 -0.759 0.000) 0.768 12.422 ( 0.117 -0.759 0.000) 0.768 12.432 ( -0.094 -0.330 0.000) 0.343 12.432 ( 0.094 -0.330 0.000) 0.343 13.722 ( -0.149 -0.286 0.000) 0.323 13.722 ( 0.149 -0.286 0.000) 0.323 13.818 ( -0.004 -0.564 0.000) 0.564 13.818 ( 0.004 -0.564 0.000) 0.564 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 0.000 0.000 17.654) 17.654 0.626 ( 0.000 0.000 32.680) 32.680 0.894 ( 0.000 0.000 23.112) 23.112 0.956 ( 0.000 0.000 0.772) 0.772 1.199 ( 0.000 0.000 59.976) 59.976 1.233 ( 0.000 0.000 50.971) 50.971 1.419 ( 0.000 0.000 12.481) 12.481 1.434 ( 0.000 0.000 11.614) 11.614 1.991 ( 0.000 0.000 27.323) 27.323 2.064 ( 0.000 0.000 30.785) 30.785 2.389 ( 0.000 0.000 0.254) 0.254 2.469 ( 0.000 0.000 -6.109) 6.109 2.494 ( 0.000 0.000 1.312) 1.312 2.511 ( 0.000 0.000 -5.972) 5.972 2.563 ( 0.000 0.000 -2.579) 2.579 2.666 ( 0.000 0.000 -0.482) 0.482 3.437 ( 0.000 0.000 -0.396) 0.396 3.500 ( 0.000 0.000 -0.313) 0.313 3.585 ( 0.000 0.000 0.850) 0.850 3.601 ( 0.000 0.000 -0.253) 0.253 3.623 ( 0.000 0.000 2.468) 2.468 3.767 ( 0.000 0.000 -2.102) 2.102 3.838 ( 0.000 0.000 -5.270) 5.270 3.944 ( 0.000 0.000 -7.714) 7.714 4.404 ( 0.000 0.000 6.040) 6.040 4.423 ( 0.000 0.000 -6.099) 6.099 4.428 ( 0.000 0.000 5.320) 5.320 4.452 ( 0.000 0.000 -6.147) 6.147 4.554 ( 0.000 0.000 -1.665) 1.665 4.580 ( 0.000 0.000 -3.108) 3.108 4.772 ( 0.000 0.000 -2.120) 2.120 4.786 ( 0.000 0.000 -2.711) 2.711 5.458 ( 0.000 0.000 8.280) 8.280 5.499 ( 0.000 0.000 7.368) 7.368 5.557 ( 0.000 0.000 -1.461) 1.461 5.744 ( 0.000 0.000 -1.333) 1.333 6.462 ( 0.000 0.000 -8.729) 8.729 6.467 ( 0.000 0.000 -4.283) 4.283 6.485 ( 0.000 0.000 -4.117) 4.117 6.526 ( 0.000 0.000 -9.529) 9.529 7.055 ( 0.000 0.000 0.320) 0.320 7.099 ( 0.000 0.000 0.250) 0.250 7.181 ( 0.000 0.000 4.398) 4.398 7.227 ( 0.000 0.000 4.791) 4.791 7.298 ( 0.000 0.000 -5.752) 5.752 7.328 ( 0.000 0.000 -5.771) 5.771 7.494 ( 0.000 0.000 -0.657) 0.657 7.503 ( 0.000 0.000 -1.120) 1.120 7.545 ( 0.000 0.000 2.426) 2.426 7.577 ( 0.000 0.000 2.547) 2.547 8.114 ( 0.000 0.000 -3.128) 3.128 8.129 ( 0.000 0.000 -2.685) 2.685 10.667 ( 0.000 0.000 -1.982) 1.982 10.704 ( 0.000 0.000 0.635) 0.635 10.826 ( 0.000 0.000 4.822) 4.822 10.853 ( 0.000 0.000 1.215) 1.215 11.184 ( 0.000 0.000 -4.219) 4.219 11.212 ( 0.000 0.000 -4.028) 4.028 11.298 ( 0.000 0.000 1.312) 1.312 11.308 ( 0.000 0.000 0.850) 0.850 11.320 ( 0.000 0.000 1.061) 1.061 11.406 ( 0.000 0.000 0.998) 0.998 11.565 ( 0.000 0.000 8.913) 8.913 11.588 ( 0.000 0.000 9.229) 9.229 12.412 ( 0.000 0.000 -4.201) 4.201 12.431 ( 0.000 0.000 -3.290) 3.290 12.448 ( 0.000 0.000 -1.512) 1.512 12.451 ( 0.000 0.000 -2.491) 2.491 13.759 ( 0.000 0.000 1.710) 1.710 13.806 ( 0.000 0.000 1.703) 1.703 13.872 ( 0.000 0.000 1.130) 1.130 13.953 ( 0.000 0.000 0.684) 0.684 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 15.284 0.000 9.054) 17.765 0.665 ( 4.003 0.000 30.796) 31.055 0.853 ( -4.161 0.000 24.175) 24.531 0.897 ( -6.345 0.000 2.126) 6.691 1.209 ( 1.142 0.000 58.214) 58.225 1.239 ( 0.256 0.000 50.750) 50.750 1.426 ( 0.592 0.000 12.286) 12.300 1.435 ( 0.123 0.000 11.705) 11.705 2.005 ( 1.344 0.000 27.911) 27.943 2.056 ( -0.869 0.000 30.420) 30.432 2.394 ( 0.726 0.000 0.610) 0.948 2.469 ( -2.451 0.000 1.507) 2.877 2.474 ( 0.477 0.000 -6.058) 6.077 2.501 ( -0.815 0.000 -5.878) 5.934 2.581 ( 1.661 0.000 -2.382) 2.904 2.652 ( -1.506 0.000 -0.823) 1.716 3.444 ( 0.772 0.000 -0.471) 0.904 3.488 ( -1.153 0.000 -0.403) 1.222 3.594 ( 0.878 0.000 1.199) 1.486 3.614 ( 1.384 0.000 -0.882) 1.641 3.621 ( -0.270 0.000 2.340) 2.355 3.713 ( -3.777 0.000 -2.020) 4.284 3.875 ( 2.359 0.000 -5.112) 5.630 3.937 ( -0.820 0.000 -7.198) 7.245 4.407 ( 0.319 0.000 5.922) 5.931 4.420 ( -0.104 0.000 -5.836) 5.837 4.424 ( -0.424 0.000 5.414) 5.430 4.444 ( -0.779 0.000 -5.880) 5.931 4.551 ( 0.505 0.000 -1.032) 1.149 4.582 ( -0.132 0.000 -3.283) 3.285 4.774 ( 0.198 0.000 -2.198) 2.207 4.784 ( -0.230 0.000 -2.612) 2.622 5.464 ( 0.636 0.000 8.137) 8.162 5.493 ( -0.623 0.000 7.493) 7.519 5.583 ( 2.790 0.000 -1.291) 3.074 5.719 ( -2.832 0.000 -1.541) 3.224 6.470 ( 0.295 0.000 -4.267) 4.277 6.473 ( 1.126 0.000 -8.849) 8.920 6.482 ( -0.254 0.000 -4.149) 4.157 6.519 ( -0.825 0.000 -9.421) 9.457 7.059 ( 0.504 0.000 0.312) 0.593 7.091 ( -0.831 0.000 0.198) 0.855 7.190 ( 0.871 0.000 4.363) 4.450 7.222 ( -0.560 0.000 4.659) 4.692 7.302 ( 0.425 0.000 -5.724) 5.740 7.323 ( -0.483 0.000 -5.733) 5.753 7.495 ( 0.118 0.000 -0.751) 0.760 7.501 ( -0.135 0.000 -1.123) 1.131 7.550 ( 0.507 0.000 2.476) 2.527 7.573 ( -0.462 0.000 2.541) 2.582 8.111 ( 0.143 0.000 -2.572) 2.576 8.130 ( -0.296 0.000 -3.047) 3.061 10.663 ( -0.278 0.000 -1.294) 1.323 10.686 ( -1.585 0.000 0.705) 1.735 10.814 ( -0.917 0.000 5.086) 5.168 10.827 ( -1.015 0.000 4.536) 4.648 11.188 ( 0.382 0.000 -4.194) 4.212 11.207 ( -0.463 0.000 -4.057) 4.084 11.299 ( 0.171 0.000 1.859) 1.867 11.310 ( 0.225 0.000 0.882) 0.910 11.319 ( -0.151 0.000 1.034) 1.045 11.346 ( -3.410 0.000 4.331) 5.513 11.560 ( 0.157 0.000 9.524) 9.525 11.582 ( -0.560 0.000 9.245) 9.262 12.412 ( 0.099 0.000 -3.813) 3.814 12.427 ( -0.489 0.000 -3.386) 3.421 12.448 ( 0.318 0.000 -1.900) 1.927 12.456 ( 0.174 0.000 -2.401) 2.408 13.766 ( 0.723 0.000 1.715) 1.861 13.800 ( -0.710 0.000 1.708) 1.849 13.883 ( 1.193 0.000 1.068) 1.601 13.940 ( -1.262 0.000 0.752) 1.469 ======================= Grid point 47 (18/75) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -12.300 0.000 4.413) 13.068 0.725 ( 12.300 0.000 4.413) 13.068 0.758 ( -5.634 0.000 27.096) 27.676 0.758 ( 5.634 0.000 27.096) 27.676 1.232 ( -1.040 0.000 53.634) 53.644 1.232 ( 1.040 0.000 53.634) 53.644 1.435 ( -0.244 0.000 11.944) 11.947 1.435 ( 0.244 0.000 11.944) 11.947 2.033 ( -1.541 0.000 29.323) 29.363 2.033 ( 1.541 0.000 29.323) 29.363 2.421 ( -2.272 0.000 1.330) 2.633 2.421 ( 2.272 0.000 1.330) 2.633 2.486 ( -0.785 0.000 -5.945) 5.997 2.486 ( 0.785 0.000 -5.945) 5.997 2.617 ( -2.106 0.000 -1.623) 2.658 2.617 ( 2.106 0.000 -1.623) 2.658 3.464 ( -1.321 0.000 -0.518) 1.419 3.464 ( 1.321 0.000 -0.518) 1.419 3.611 ( -0.817 0.000 1.877) 2.048 3.611 ( 0.817 0.000 1.877) 2.048 3.652 ( -2.735 0.000 -1.627) 3.183 3.652 ( 2.735 0.000 -1.627) 3.183 3.913 ( -1.740 0.000 -6.034) 6.280 3.913 ( 1.740 0.000 -6.034) 6.280 4.415 ( -0.527 0.000 5.656) 5.680 4.415 ( 0.527 0.000 5.656) 5.680 4.427 ( -0.851 0.000 -5.736) 5.799 4.427 ( 0.851 0.000 -5.736) 5.799 4.570 ( -1.149 0.000 -2.367) 2.631 4.570 ( 1.149 0.000 -2.367) 2.631 4.778 ( -0.311 0.000 -2.394) 2.414 4.778 ( 0.311 0.000 -2.394) 2.414 5.479 ( -0.890 0.000 7.807) 7.857 5.479 ( 0.890 0.000 7.807) 7.857 5.650 ( -4.156 0.000 -1.389) 4.382 5.650 ( 4.156 0.000 -1.389) 4.382 6.476 ( -0.389 0.000 -4.216) 4.234 6.476 ( 0.389 0.000 -4.216) 4.234 6.498 ( -1.403 0.000 -9.126) 9.233 6.498 ( 1.403 0.000 -9.126) 9.233 7.073 ( -0.954 0.000 0.247) 0.986 7.073 ( 0.954 0.000 0.247) 0.986 7.208 ( -0.965 0.000 4.448) 4.551 7.208 ( 0.965 0.000 4.448) 4.551 7.312 ( -0.643 0.000 -5.696) 5.732 7.312 ( 0.643 0.000 -5.696) 5.732 7.498 ( -0.206 0.000 -0.978) 0.999 7.498 ( 0.206 0.000 -0.978) 0.999 7.562 ( -0.680 0.000 2.523) 2.613 7.562 ( 0.680 0.000 2.523) 2.613 8.120 ( -0.671 0.000 -2.800) 2.879 8.120 ( 0.671 0.000 -2.800) 2.879 10.665 ( -0.559 0.000 -0.159) 0.581 10.665 ( 0.559 0.000 -0.159) 0.581 10.813 ( -0.550 0.000 4.948) 4.979 10.813 ( 0.550 0.000 4.948) 4.979 11.197 ( -0.587 0.000 -4.129) 4.170 11.197 ( 0.587 0.000 -4.129) 4.170 11.309 ( -1.009 0.000 2.997) 3.162 11.309 ( 1.009 0.000 2.997) 3.162 11.315 ( -0.256 0.000 0.961) 0.995 11.315 ( 0.256 0.000 0.961) 0.995 11.570 ( -0.753 0.000 9.294) 9.325 11.570 ( 0.753 0.000 9.294) 9.325 12.417 ( -0.456 0.000 -3.424) 3.454 12.417 ( 0.456 0.000 -3.424) 3.454 12.455 ( -0.257 0.000 -2.330) 2.344 12.455 ( 0.257 0.000 -2.330) 2.344 13.783 ( -1.006 0.000 1.718) 1.990 13.783 ( 1.006 0.000 1.718) 1.990 13.911 ( -1.738 0.000 0.912) 1.963 13.911 ( 1.738 0.000 0.912) 1.963 ======================= Grid point 50 (19/75) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 0.000 11.467 12.915) 17.271 0.931 ( 0.000 0.252 3.316) 3.325 0.998 ( 0.000 24.324 24.226) 34.330 1.128 ( 0.000 19.108 22.793) 29.742 1.472 ( 0.000 23.204 31.156) 38.847 1.474 ( 0.000 28.845 34.750) 45.162 1.723 ( 0.000 24.269 11.301) 26.771 1.789 ( 0.000 29.755 14.128) 32.939 2.067 ( 0.000 8.169 24.660) 25.978 2.148 ( 0.000 8.786 26.083) 27.523 2.328 ( 0.000 -1.234 3.409) 3.625 2.385 ( 0.000 -2.421 2.582) 3.539 2.486 ( 0.000 0.326 -4.878) 4.889 2.572 ( 0.000 0.800 -4.016) 4.095 2.607 ( 0.000 3.153 -3.096) 4.419 2.722 ( 0.000 4.495 -0.405) 4.513 3.314 ( 0.000 -9.384 -1.199) 9.460 3.364 ( 0.000 -12.216 0.659) 12.233 3.559 ( 0.000 -1.759 0.970) 2.009 3.592 ( 0.000 -1.988 1.566) 2.531 3.665 ( 0.000 3.424 -0.796) 3.515 3.824 ( 0.000 3.884 -2.401) 4.566 3.932 ( 0.000 9.004 -4.293) 9.975 4.027 ( 0.000 7.634 -7.215) 10.505 4.320 ( 0.000 -6.678 3.148) 7.383 4.323 ( 0.000 -6.959 1.314) 7.082 4.491 ( 0.000 3.263 -2.578) 4.159 4.508 ( 0.000 2.082 -1.385) 2.500 4.536 ( 0.000 -0.959 -0.984) 1.374 4.550 ( 0.000 -2.849 -2.691) 3.919 4.770 ( 0.000 -0.141 -2.874) 2.877 4.775 ( 0.000 -1.412 -3.535) 3.807 5.435 ( 0.000 -2.605 4.804) 5.465 5.446 ( 0.000 -0.418 7.233) 7.245 5.656 ( 0.000 6.266 1.131) 6.367 5.789 ( 0.000 3.747 -1.075) 3.898 6.400 ( 0.000 -6.175 -6.056) 8.649 6.421 ( 0.000 -4.685 -2.901) 5.511 6.446 ( 0.000 -4.254 -6.604) 7.856 6.477 ( 0.000 -5.020 -9.750) 10.966 6.995 ( 0.000 -6.682 4.078) 7.828 7.040 ( 0.000 -6.541 4.551) 7.969 7.167 ( 0.000 0.855 0.180) 0.874 7.203 ( 0.000 1.055 -0.774) 1.308 7.362 ( 0.000 0.935 -5.513) 5.592 7.367 ( 0.000 2.789 -5.670) 6.319 7.501 ( 0.000 0.887 -0.467) 1.002 7.515 ( 0.000 -0.834 -0.879) 1.212 7.543 ( 0.000 2.471 2.445) 3.476 7.556 ( 0.000 -1.343 3.515) 3.762 8.075 ( 0.000 -3.467 -2.354) 4.190 8.097 ( 0.000 -3.280 -2.535) 4.145 10.670 ( 0.000 -1.422 0.486) 1.502 10.679 ( 0.000 1.048 -2.112) 2.358 10.805 ( 0.000 -0.620 5.188) 5.225 10.840 ( 0.000 1.470 4.513) 4.746 11.208 ( 0.000 2.314 -4.421) 4.990 11.226 ( 0.000 1.601 -3.442) 3.796 11.324 ( 0.000 2.691 1.154) 2.928 11.355 ( 0.000 4.474 0.772) 4.540 11.356 ( 0.000 4.533 1.663) 4.828 11.495 ( 0.000 3.018 -1.717) 3.472 11.613 ( 0.000 2.592 8.982) 9.348 11.630 ( 0.000 4.755 5.027) 6.920 12.414 ( 0.000 0.074 -4.225) 4.226 12.433 ( 0.000 -0.259 -3.607) 3.616 12.450 ( 0.000 0.257 -1.291) 1.316 12.452 ( 0.000 0.109 -1.889) 1.892 13.756 ( 0.000 -0.301 1.787) 1.812 13.800 ( 0.000 -0.634 1.788) 1.897 13.870 ( 0.000 -0.222 1.176) 1.197 13.945 ( 0.000 -1.311 0.235) 1.332 ======================= Grid point 51 (20/75) ======================= q-point: ( 0.25 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 10.973 7.238 9.437) 16.182 0.878 ( -5.762 0.402 3.718) 6.869 1.017 ( 2.162 24.475 24.720) 34.854 1.113 ( -1.729 19.712 22.907) 30.270 1.480 ( 0.697 23.680 30.697) 38.776 1.482 ( 0.647 27.632 33.242) 43.232 1.731 ( 0.937 24.882 11.693) 27.509 1.779 ( -1.063 28.851 13.776) 31.989 2.081 ( 1.331 8.090 24.977) 26.288 2.137 ( -1.107 8.482 25.875) 27.253 2.332 ( 0.531 -1.091 3.781) 3.971 2.374 ( -1.092 -1.911 3.206) 3.889 2.495 ( 0.977 0.536 -4.760) 4.889 2.551 ( -1.687 1.063 -4.105) 4.564 2.627 ( 1.675 3.190 -2.638) 4.466 2.704 ( -1.857 4.232 -0.677) 4.671 3.322 ( 0.855 -9.622 -1.082) 9.720 3.358 ( -0.668 -11.526 0.217) 11.547 3.565 ( 0.573 -1.898 1.201) 2.318 3.587 ( -0.427 -2.008 1.595) 2.599 3.677 ( 1.358 3.415 -1.119) 3.841 3.778 ( -3.728 4.252 -2.321) 6.113 3.962 ( 2.229 8.183 -4.589) 9.643 4.020 ( -0.803 7.634 -6.713) 10.197 4.321 ( 0.251 -6.654 2.298) 7.044 4.327 ( 0.270 -6.664 2.106) 6.994 4.482 ( -0.476 2.236 -1.623) 2.803 4.498 ( -0.987 2.099 -2.641) 3.515 4.544 ( 0.858 -0.723 -0.924) 1.453 4.557 ( 0.448 -1.930 -2.682) 3.334 4.765 ( -0.558 -0.982 -2.757) 2.979 4.767 ( -0.300 -0.335 -2.740) 2.777 5.440 ( 0.459 -2.299 5.393) 5.880 5.448 ( 0.147 -0.856 6.900) 6.955 5.670 ( 1.612 6.032 0.669) 6.279 5.766 ( -2.308 4.041 -0.961) 4.752 6.407 ( 0.669 -6.184 -5.202) 8.109 6.421 ( -0.017 -4.968 -2.950) 5.778 6.447 ( 0.198 -4.155 -7.267) 8.373 6.471 ( -0.655 -4.891 -9.630) 10.821 7.001 ( 0.603 -6.597 4.080) 7.781 7.033 ( -0.768 -6.506 4.365) 7.872 7.174 ( 0.646 0.802 0.116) 1.037 7.199 ( -0.437 0.963 -0.581) 1.206 7.362 ( 0.029 1.243 -5.524) 5.662 7.366 ( -0.120 2.496 -5.641) 6.170 7.504 ( 0.291 0.845 -0.708) 1.141 7.514 ( -0.114 -0.367 -1.130) 1.194 7.544 ( 0.127 1.713 2.864) 3.340 7.554 ( -0.262 -0.976 3.485) 3.628 8.077 ( 0.312 -3.280 -2.386) 4.068 8.095 ( -0.286 -3.391 -2.636) 4.304 10.666 ( -0.214 -0.520 0.058) 0.565 10.674 ( -0.467 0.841 -1.578) 1.848 10.810 ( 0.519 0.288 4.922) 4.958 10.836 ( -0.482 1.334 4.447) 4.668 11.211 ( 0.302 2.238 -4.364) 4.914 11.224 ( -0.256 1.730 -3.701) 4.094 11.325 ( 0.142 2.845 1.352) 3.153 11.343 ( -0.689 3.885 1.515) 4.227 11.370 ( 0.941 5.082 0.955) 5.256 11.452 ( -3.820 5.305 -1.150) 6.638 11.605 ( -0.972 4.254 8.610) 9.653 11.610 ( -0.477 2.905 9.016) 9.484 12.414 ( 0.102 0.100 -3.925) 3.927 12.427 ( -0.486 -0.177 -3.473) 3.512 12.452 ( 0.206 0.251 -1.532) 1.566 12.456 ( 0.168 0.010 -2.047) 2.054 13.763 ( 0.688 -0.341 1.789) 1.947 13.794 ( -0.648 -0.574 1.792) 1.990 13.879 ( 0.990 -0.423 1.125) 1.557 13.931 ( -1.319 -1.171 0.617) 1.868 ======================= Grid point 52 (21/75) ======================= q-point: (-0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -10.331 2.907 6.002) 12.296 0.728 ( 10.331 2.907 6.002) 12.296 1.068 ( -2.957 22.009 23.760) 32.522 1.068 ( 2.957 22.009 23.760) 32.522 1.489 ( -0.095 25.293 30.991) 40.002 1.489 ( 0.095 25.293 30.991) 40.002 1.755 ( -1.463 26.725 12.777) 29.658 1.755 ( 1.463 26.725 12.777) 29.658 2.110 ( -1.704 8.132 25.496) 26.816 2.110 ( 1.704 8.132 25.496) 26.816 2.350 ( -1.341 -1.161 4.000) 4.375 2.350 ( 1.341 -1.161 4.000) 4.375 2.520 ( -1.612 0.944 -4.475) 4.850 2.520 ( 1.612 0.944 -4.475) 4.850 2.664 ( -2.285 3.673 -1.557) 4.597 2.664 ( 2.285 3.673 -1.557) 4.597 3.341 ( -1.084 -10.360 -0.590) 10.433 3.341 ( 1.084 -10.360 -0.590) 10.433 3.577 ( -0.654 -2.056 1.543) 2.652 3.577 ( 0.654 -2.056 1.543) 2.652 3.715 ( -2.825 3.772 -1.816) 5.050 3.715 ( 2.825 3.772 -1.816) 5.050 3.998 ( -1.598 7.777 -5.599) 9.715 3.998 ( 1.598 7.777 -5.599) 9.715 4.327 ( -0.268 -6.526 2.207) 6.894 4.327 ( 0.268 -6.526 2.207) 6.894 4.482 ( -0.532 1.861 -2.036) 2.809 4.482 ( 0.532 1.861 -2.036) 2.809 4.558 ( -0.435 -0.992 -2.037) 2.307 4.558 ( 0.435 -0.992 -2.037) 2.307 4.762 ( -0.164 -0.671 -2.507) 2.600 4.762 ( 0.164 -0.671 -2.507) 2.600 5.447 ( -0.256 -1.618 6.292) 6.502 5.447 ( 0.256 -1.618 6.292) 6.502 5.714 ( -2.975 5.060 -0.314) 5.878 5.714 ( 2.975 5.060 -0.314) 5.878 6.418 ( -0.346 -5.731 -3.468) 6.708 6.418 ( 0.346 -5.731 -3.468) 6.708 6.456 ( -0.797 -4.404 -8.976) 10.030 6.456 ( 0.797 -4.404 -8.976) 10.030 7.016 ( -0.964 -6.496 4.153) 7.770 7.016 ( 0.964 -6.496 4.153) 7.770 7.187 ( -0.753 0.808 -0.177) 1.119 7.187 ( 0.753 0.808 -0.177) 1.119 7.363 ( -0.122 1.883 -5.571) 5.882 7.363 ( 0.122 1.883 -5.571) 5.882 7.510 ( -0.321 0.491 -1.141) 1.283 7.510 ( 0.321 0.491 -1.141) 1.283 7.548 ( -0.315 0.131 3.348) 3.365 7.548 ( 0.315 0.131 3.348) 3.365 8.086 ( -0.578 -3.305 -2.557) 4.219 8.086 ( 0.578 -3.305 -2.557) 4.219 10.666 ( -0.258 0.442 -0.769) 0.924 10.666 ( 0.258 0.442 -0.769) 0.924 10.823 ( -0.817 1.088 4.555) 4.753 10.823 ( 0.817 1.088 4.555) 4.753 11.218 ( -0.405 2.014 -4.133) 4.615 11.218 ( 0.405 2.014 -4.133) 4.615 11.331 ( -0.524 3.266 1.639) 3.692 11.331 ( 0.524 3.266 1.639) 3.692 11.395 ( -2.068 5.783 0.470) 6.160 11.395 ( 2.068 5.783 0.470) 6.160 11.601 ( -0.326 3.250 9.129) 9.696 11.601 ( 0.326 3.250 9.129) 9.696 12.418 ( -0.358 0.010 -3.557) 3.575 12.418 ( 0.358 0.010 -3.557) 3.575 12.456 ( -0.172 0.069 -1.938) 1.947 12.456 ( 0.172 0.069 -1.938) 1.947 13.778 ( -0.936 -0.444 1.793) 2.070 13.778 ( 0.936 -0.444 1.793) 2.070 13.903 ( -1.549 -0.849 0.959) 2.010 13.903 ( 1.549 -0.849 0.959) 2.010 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.000 14.355 9.916) 17.447 0.938 ( 0.000 1.702 4.484) 4.796 1.479 ( 0.000 25.382 20.160) 32.414 1.535 ( 0.000 22.270 17.057) 28.051 1.844 ( 0.000 7.949 12.769) 15.041 1.957 ( 0.000 7.497 8.502) 11.335 2.076 ( 0.000 14.467 6.198) 15.739 2.119 ( 0.000 11.700 7.970) 14.157 2.338 ( 0.000 10.489 13.571) 17.152 2.414 ( 0.000 1.535 4.378) 4.640 2.547 ( 0.000 19.226 6.568) 20.317 2.568 ( 0.000 27.771 12.568) 30.483 2.619 ( 0.000 11.349 3.638) 11.918 2.649 ( 0.000 23.527 7.810) 24.789 2.677 ( 0.000 11.690 1.848) 11.835 2.801 ( 0.000 4.491 0.757) 4.555 3.112 ( 0.000 -12.196 -0.949) 12.233 3.165 ( 0.000 -4.271 -5.041) 6.607 3.549 ( 0.000 1.084 2.590) 2.808 3.564 ( 0.000 -0.912 1.879) 2.088 3.683 ( 0.000 -1.645 -0.858) 1.855 3.843 ( 0.000 -2.629 -2.995) 3.985 4.083 ( 0.000 -4.015 -1.044) 4.149 4.113 ( 0.000 -6.597 -1.819) 6.844 4.211 ( 0.000 5.517 2.936) 6.249 4.256 ( 0.000 6.249 -0.786) 6.299 4.432 ( 0.000 -8.824 -2.540) 9.183 4.448 ( 0.000 -8.035 -2.477) 8.408 4.518 ( 0.000 -0.106 -0.735) 0.743 4.527 ( 0.000 -0.271 -0.165) 0.317 4.818 ( 0.000 8.164 -3.464) 8.869 4.866 ( 0.000 9.878 -4.205) 10.735 5.425 ( 0.000 1.466 4.997) 5.208 5.466 ( 0.000 2.807 5.913) 6.545 5.766 ( 0.000 4.863 0.377) 4.877 5.852 ( 0.000 2.039 -1.923) 2.802 6.234 ( 0.000 -11.137 -3.903) 11.801 6.284 ( 0.000 -10.014 -2.157) 10.244 6.329 ( 0.000 -7.541 -6.354) 9.861 6.351 ( 0.000 -7.380 -7.142) 10.270 6.832 ( 0.000 -9.585 6.364) 11.505 6.883 ( 0.000 -9.262 6.948) 11.578 7.204 ( 0.000 2.244 -1.328) 2.608 7.249 ( 0.000 2.902 -2.228) 3.659 7.338 ( 0.000 -2.938 -3.788) 4.793 7.362 ( 0.000 -2.674 -4.549) 5.276 7.466 ( 0.000 -3.647 0.238) 3.655 7.474 ( 0.000 -2.264 -0.188) 2.272 7.605 ( 0.000 5.036 0.708) 5.086 7.633 ( 0.000 5.394 -0.557) 5.423 7.992 ( 0.000 -5.018 -2.033) 5.414 8.013 ( 0.000 -5.178 -2.214) 5.631 10.671 ( 0.000 0.940 -0.994) 1.368 10.699 ( 0.000 0.842 -1.735) 1.928 10.821 ( 0.000 1.754 3.865) 4.244 10.877 ( 0.000 2.098 3.209) 3.834 11.267 ( 0.000 3.890 -4.426) 5.892 11.276 ( 0.000 3.602 -3.592) 5.087 11.394 ( 0.000 4.132 0.163) 4.135 11.458 ( 0.000 4.907 -0.122) 4.909 11.459 ( 0.000 5.966 0.762) 6.014 11.538 ( 0.000 2.466 -0.870) 2.615 11.683 ( 0.000 4.497 8.401) 9.529 11.713 ( 0.000 4.350 6.959) 8.207 12.410 ( 0.000 -0.528 -4.247) 4.280 12.417 ( 0.000 -1.365 -3.884) 4.117 12.454 ( 0.000 0.062 -0.700) 0.703 12.456 ( 0.000 0.270 -0.744) 0.791 13.749 ( 0.000 -0.386 1.987) 2.024 13.784 ( 0.000 -0.988 2.009) 2.239 13.862 ( 0.000 -0.546 1.325) 1.433 13.905 ( 0.000 -2.491 0.874) 2.639 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 5.436 11.652 8.740) 15.547 0.909 ( -3.226 3.063 5.074) 6.748 1.489 ( 1.008 24.973 19.734) 31.845 1.529 ( -0.687 22.742 17.538) 28.727 1.856 ( 1.346 7.511 11.899) 14.136 1.937 ( -2.013 7.119 8.828) 11.518 2.082 ( 0.656 14.061 6.522) 15.514 2.113 ( -0.663 12.179 7.809) 14.483 2.349 ( 1.178 9.533 12.535) 15.792 2.404 ( -1.108 3.260 6.170) 7.065 2.547 ( 0.075 19.066 6.326) 20.088 2.563 ( -0.549 22.821 9.198) 24.611 2.626 ( 0.804 17.852 6.616) 19.056 2.651 ( -0.013 24.308 8.046) 25.605 2.694 ( 1.809 8.697 1.424) 8.996 2.781 ( -2.027 4.972 1.221) 5.507 3.124 ( 1.123 -10.893 -1.748) 11.089 3.160 ( -0.507 -5.399 -4.545) 7.075 3.551 ( 0.215 0.761 2.576) 2.694 3.561 ( -0.252 -0.630 2.127) 2.233 3.698 ( 1.652 -1.507 -1.127) 2.504 3.808 ( -3.318 -1.840 -2.530) 4.560 4.088 ( 0.484 -5.007 -1.168) 5.164 4.108 ( -0.433 -6.497 -1.722) 6.736 4.222 ( 0.979 5.499 2.216) 6.009 4.253 ( -0.388 5.913 -0.186) 5.929 4.427 ( -0.310 -8.011 -2.190) 8.311 4.441 ( -0.712 -8.065 -2.587) 8.500 4.525 ( 0.642 -0.392 -0.645) 0.990 4.531 ( 0.323 -0.556 -0.560) 0.853 4.824 ( 0.646 8.622 -3.535) 9.341 4.858 ( -0.786 9.738 -4.062) 10.580 5.433 ( 0.793 1.584 5.087) 5.386 5.463 ( -0.454 2.531 5.774) 6.321 5.776 ( 1.040 4.539 0.041) 4.657 5.836 ( -1.535 2.478 -1.605) 3.328 6.243 ( 0.905 -10.995 -3.619) 11.611 6.278 ( -0.643 -10.225 -2.406) 10.524 6.332 ( 0.285 -7.445 -6.414) 9.831 6.348 ( -0.365 -7.357 -7.014) 10.172 6.839 ( 0.746 -9.512 6.417) 11.499 6.875 ( -0.796 -9.282 6.821) 11.546 7.210 ( 0.665 2.245 -1.392) 2.724 7.242 ( -0.698 2.660 -2.011) 3.407 7.342 ( 0.419 -2.749 -3.979) 4.854 7.359 ( -0.305 -2.616 -4.500) 5.215 7.467 ( 0.076 -3.467 0.240) 3.476 7.473 ( -0.172 -2.501 -0.031) 2.507 7.609 ( 0.474 5.090 0.440) 5.131 7.629 ( -0.393 5.346 -0.431) 5.378 7.995 ( 0.329 -5.037 -2.074) 5.457 8.010 ( -0.293 -5.179 -2.208) 5.638 10.674 ( 0.291 0.962 -1.050) 1.454 10.693 ( -0.564 0.911 -1.507) 1.849 10.832 ( 1.027 1.778 3.643) 4.182 10.871 ( -0.675 2.028 3.224) 3.868 11.269 ( 0.137 3.811 -4.361) 5.793 11.275 ( -0.135 3.605 -3.780) 5.225 11.398 ( 0.470 4.229 0.176) 4.259 11.435 ( -1.364 4.840 0.144) 5.030 11.479 ( 1.099 5.707 0.363) 5.823 11.526 ( -1.219 3.504 -0.710) 3.777 11.682 ( -0.027 4.672 8.492) 9.692 11.699 ( -1.105 5.016 7.926) 9.444 12.411 ( 0.052 -0.583 -4.146) 4.187 12.415 ( -0.160 -1.126 -3.876) 4.040 12.455 ( 0.093 0.066 -0.761) 0.770 12.457 ( 0.062 0.133 -0.858) 0.871 13.754 ( 0.559 -0.480 1.987) 2.119 13.779 ( -0.500 -0.900 2.005) 2.254 13.867 ( 0.514 -0.797 1.304) 1.612 13.897 ( -0.801 -2.141 1.012) 2.500 ======================= Grid point 57 (24/75) ======================= q-point: (-0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -5.961 6.772 6.657) 11.212 0.822 ( 5.961 6.772 6.657) 11.212 1.510 ( -1.219 23.895 18.677) 30.353 1.510 ( 1.219 23.895 18.677) 30.353 1.893 ( -2.475 6.916 10.088) 12.479 1.893 ( 2.475 6.916 10.088) 12.479 2.097 ( -0.922 13.143 7.238) 15.033 2.097 ( 0.922 13.143 7.238) 15.033 2.377 ( -1.672 6.840 9.735) 12.014 2.377 ( 1.672 6.840 9.735) 12.014 2.552 ( -0.494 19.130 6.505) 20.212 2.552 ( 0.494 19.130 6.505) 20.212 2.643 ( -0.841 23.188 8.108) 24.579 2.643 ( 0.841 23.188 8.108) 24.579 2.736 ( -2.599 6.337 1.595) 7.032 2.736 ( 2.599 6.337 1.595) 7.032 3.146 ( -1.062 -8.085 -3.275) 8.787 3.146 ( 1.062 -8.085 -3.275) 8.787 3.556 ( -0.301 0.042 2.474) 2.492 3.556 ( 0.301 0.042 2.474) 2.492 3.743 ( -3.252 -1.321 -1.770) 3.931 3.743 ( 3.252 -1.321 -1.770) 3.931 4.099 ( -0.591 -6.080 -1.457) 6.280 4.099 ( 0.591 -6.080 -1.457) 6.280 4.241 ( -0.946 5.529 0.979) 5.694 4.241 ( 0.946 5.529 0.979) 5.694 4.428 ( -0.497 -7.696 -2.247) 8.033 4.428 ( 0.497 -7.696 -2.247) 8.033 4.534 ( -0.156 -0.720 -0.782) 1.074 4.534 ( 0.156 -0.720 -0.782) 1.074 4.840 ( -1.060 9.315 -3.764) 10.103 4.840 ( 1.060 9.315 -3.764) 10.103 5.450 ( -0.902 1.980 5.407) 5.828 5.450 ( 0.902 1.980 5.407) 5.828 5.803 ( -1.838 3.570 -0.788) 4.092 5.803 ( 1.838 3.570 -0.788) 4.092 6.262 ( -1.061 -10.652 -2.993) 11.115 6.262 ( 1.061 -10.652 -2.993) 11.115 6.339 ( -0.484 -7.343 -6.691) 9.946 6.339 ( 0.484 -7.343 -6.691) 9.946 6.857 ( -1.088 -9.371 6.583) 11.504 6.857 ( 1.088 -9.371 6.583) 11.504 7.226 ( -0.942 2.346 -1.630) 3.008 7.226 ( 0.942 2.346 -1.630) 3.008 7.351 ( -0.496 -2.573 -4.306) 5.041 7.351 ( 0.496 -2.573 -4.306) 5.041 7.469 ( -0.167 -3.013 0.180) 3.023 7.469 ( 0.167 -3.013 0.180) 3.023 7.620 ( -0.601 5.222 -0.062) 5.257 7.620 ( 0.601 5.222 -0.062) 5.257 8.003 ( -0.460 -5.117 -2.157) 5.572 8.003 ( 0.460 -5.117 -2.157) 5.572 10.682 ( -0.550 0.974 -1.214) 1.651 10.682 ( 0.550 0.974 -1.214) 1.651 10.853 ( -1.166 1.889 3.352) 4.020 10.853 ( 1.166 1.889 3.352) 4.020 11.272 ( -0.195 3.670 -4.132) 5.530 11.272 ( 0.195 3.670 -4.132) 5.530 11.412 ( -1.080 4.446 0.147) 4.577 11.412 ( 1.080 4.446 0.147) 4.577 11.501 ( -1.346 5.157 -0.057) 5.330 11.501 ( 1.346 5.157 -0.057) 5.330 11.684 ( -0.407 5.075 8.580) 9.977 11.684 ( 0.407 5.075 8.580) 9.977 12.412 ( -0.108 -0.784 -3.970) 4.048 12.412 ( 0.108 -0.784 -3.970) 4.048 12.457 ( -0.059 0.047 -0.882) 0.886 12.457 ( 0.059 0.047 -0.882) 0.886 13.767 ( -0.746 -0.694 1.993) 2.238 13.767 ( 0.746 -0.694 1.993) 2.238 13.881 ( -0.898 -1.430 1.209) 2.076 13.881 ( 0.898 -1.430 1.209) 2.076 ======================= Grid point 60 (25/75) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 13.355 8.998) 16.103 1.005 ( 0.000 5.299 6.571) 8.442 1.784 ( 0.000 0.535 1.825) 1.902 1.849 ( 0.000 1.949 0.987) 2.185 2.013 ( 0.000 13.853 12.934) 18.952 2.022 ( 0.000 12.176 12.647) 17.556 2.254 ( 0.000 3.267 4.487) 5.550 2.309 ( 0.000 0.713 2.666) 2.760 2.393 ( 0.000 7.970 8.824) 11.890 2.399 ( 0.000 5.489 7.694) 9.451 2.763 ( 0.000 7.425 0.550) 7.445 2.807 ( 0.000 6.356 -3.647) 7.327 2.945 ( 0.000 12.424 3.381) 12.876 2.950 ( 0.000 -0.937 -1.962) 2.174 3.036 ( 0.000 16.839 5.887) 17.839 3.151 ( 0.000 21.016 6.716) 22.063 3.182 ( 0.000 4.610 -5.376) 7.082 3.202 ( 0.000 16.590 3.314) 16.918 3.559 ( 0.000 1.407 4.977) 5.172 3.596 ( 0.000 1.029 6.223) 6.307 3.611 ( 0.000 -5.682 2.565) 6.234 3.766 ( 0.000 -5.742 0.833) 5.802 3.929 ( 0.000 -3.241 2.443) 4.059 3.931 ( 0.000 0.080 2.427) 2.428 4.215 ( 0.000 -12.250 -2.213) 12.449 4.221 ( 0.000 -13.273 -2.312) 13.473 4.427 ( 0.000 8.238 -1.245) 8.331 4.434 ( 0.000 9.159 -2.103) 9.397 4.570 ( 0.000 7.911 3.340) 8.587 4.579 ( 0.000 5.019 1.294) 5.183 5.034 ( 0.000 12.635 -4.884) 13.547 5.083 ( 0.000 11.555 -5.046) 12.608 5.486 ( 0.000 4.974 5.115) 7.135 5.552 ( 0.000 5.936 4.693) 7.567 5.818 ( 0.000 -0.662 -1.388) 1.537 5.837 ( 0.000 -4.484 -3.744) 5.842 5.984 ( 0.000 -13.903 -2.113) 14.063 6.041 ( 0.000 -14.404 -2.110) 14.557 6.177 ( 0.000 -7.899 -4.161) 8.928 6.207 ( 0.000 -7.821 -2.339) 8.163 6.656 ( 0.000 -7.983 6.923) 10.566 6.709 ( 0.000 -8.265 7.161) 10.936 7.235 ( 0.000 0.053 -1.677) 1.678 7.273 ( 0.000 -3.303 -1.999) 3.861 7.274 ( 0.000 -2.265 -0.614) 2.347 7.308 ( 0.000 0.255 -1.019) 1.051 7.408 ( 0.000 -1.915 -1.704) 2.564 7.440 ( 0.000 -1.313 -2.038) 2.424 7.696 ( 0.000 4.098 -1.407) 4.333 7.726 ( 0.000 4.060 -1.776) 4.431 7.895 ( 0.000 -4.858 -1.862) 5.202 7.914 ( 0.000 -4.778 -2.032) 5.192 10.690 ( 0.000 0.890 -0.843) 1.226 10.710 ( 0.000 0.313 -1.023) 1.070 10.859 ( 0.000 1.974 2.287) 3.021 10.907 ( 0.000 0.877 1.799) 2.002 11.353 ( 0.000 4.829 -4.936) 6.905 11.357 ( 0.000 4.500 -4.702) 6.508 11.463 ( 0.000 2.696 -0.720) 2.790 11.506 ( 0.000 0.683 -1.321) 1.487 11.567 ( 0.000 4.984 1.027) 5.088 11.608 ( 0.000 3.934 0.183) 3.938 11.775 ( 0.000 4.783 7.841) 9.185 11.799 ( 0.000 4.311 7.932) 9.028 12.385 ( 0.000 -1.831 -4.282) 4.657 12.392 ( 0.000 -1.401 -4.385) 4.604 12.454 ( 0.000 -0.077 0.320) 0.329 12.458 ( 0.000 -0.039 0.021) 0.044 13.743 ( 0.000 -0.208 2.232) 2.242 13.765 ( 0.000 -0.964 2.264) 2.461 13.849 ( 0.000 -0.766 1.563) 1.741 13.861 ( 0.000 -1.909 1.491) 2.422 ======================= Grid point 61 (26/75) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 1.654 11.929 8.608) 14.803 0.999 ( -0.727 6.248 6.893) 9.332 1.789 ( 0.678 0.307 1.612) 1.776 1.836 ( -1.269 1.002 0.940) 1.870 2.014 ( 0.246 14.746 13.296) 19.857 2.024 ( 0.066 13.050 12.624) 18.156 2.260 ( 0.612 2.660 4.077) 4.906 2.298 ( -1.039 0.921 2.808) 3.132 2.393 ( 0.038 7.425 8.722) 11.455 2.398 ( -0.101 5.723 8.017) 9.851 2.767 ( 0.472 7.271 -0.176) 7.288 2.798 ( -0.867 6.386 -3.027) 7.120 2.955 ( 0.980 12.649 3.643) 13.200 2.966 ( 1.119 4.026 0.066) 4.179 3.048 ( 1.510 13.007 3.398) 13.528 3.144 ( -1.490 13.942 2.277) 14.205 3.170 ( -0.314 10.168 -0.925) 10.215 3.195 ( -0.693 16.248 3.220) 16.578 3.566 ( 0.698 2.016 5.159) 5.582 3.593 ( -0.460 2.945 5.970) 6.673 3.628 ( 1.894 -7.369 2.595) 8.039 3.738 ( -2.765 -6.036 1.395) 6.784 3.929 ( 0.013 -2.468 2.391) 3.436 3.931 ( -0.026 -0.332 2.385) 2.408 4.214 ( -0.019 -12.314 -2.219) 12.512 4.219 ( -0.197 -12.839 -2.228) 13.033 4.428 ( 0.124 8.529 -1.386) 8.642 4.433 ( -0.089 9.133 -1.973) 9.344 4.572 ( 0.223 7.045 2.881) 7.614 4.579 ( -0.003 5.260 1.583) 5.493 5.041 ( 0.749 12.472 -4.870) 13.410 5.076 ( -0.749 11.698 -4.984) 12.737 5.496 ( 0.998 4.958 4.919) 7.056 5.543 ( -0.978 5.629 4.665) 7.377 5.819 ( 0.159 -1.175 -1.715) 2.085 5.832 ( -0.395 -3.610 -3.227) 4.858 5.995 ( 1.022 -14.004 -2.117) 14.200 6.034 ( -0.719 -14.347 -2.106) 14.519 6.181 ( 0.448 -7.871 -3.895) 8.794 6.203 ( -0.475 -7.819 -2.612) 8.258 6.664 ( 0.819 -7.999 6.935) 10.619 6.701 ( -0.782 -8.196 7.103) 10.874 7.238 ( 0.331 -0.456 -1.618) 1.714 7.260 ( -0.757 -2.457 -1.433) 2.944 7.287 ( 0.670 -2.270 -1.181) 2.645 7.306 ( -0.292 -0.196 -1.057) 1.114 7.413 ( 0.478 -1.779 -1.737) 2.532 7.436 ( -0.496 -1.361 -1.968) 2.444 7.700 ( 0.478 4.077 -1.490) 4.367 7.721 ( -0.427 4.054 -1.747) 4.435 7.898 ( 0.303 -4.845 -1.881) 5.207 7.911 ( -0.286 -4.791 -2.002) 5.200 10.692 ( 0.233 0.841 -0.843) 1.213 10.706 ( -0.372 0.451 -0.958) 1.123 10.868 ( 0.836 1.755 2.195) 2.932 10.901 ( -0.623 0.995 1.859) 2.199 11.353 ( -0.019 4.721 -4.936) 6.831 11.356 ( -0.130 4.494 -4.780) 6.562 11.467 ( 0.439 2.633 -0.768) 2.778 11.496 ( -0.948 1.466 -1.127) 2.078 11.577 ( 0.844 4.532 0.846) 4.687 11.604 ( -0.443 4.024 0.287) 4.059 11.776 ( 0.177 4.808 7.941) 9.285 11.793 ( -0.563 4.543 8.022) 9.237 12.386 ( 0.112 -1.757 -4.304) 4.650 12.391 ( -0.095 -1.462 -4.379) 4.617 12.455 ( 0.092 -0.080 0.255) 0.282 12.458 ( -0.036 -0.059 0.050) 0.085 13.746 ( 0.340 -0.332 2.234) 2.284 13.762 ( -0.316 -0.867 2.256) 2.438 13.850 ( 0.109 -0.899 1.568) 1.811 13.859 ( -0.251 -1.701 1.520) 2.295 ======================= Grid point 62 (27/75) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -1.741 8.856 7.720) 11.877 0.976 ( 1.741 8.856 7.720) 11.877 1.809 ( -1.444 0.140 1.165) 1.861 1.809 ( 1.444 0.140 1.165) 1.861 2.021 ( -0.369 14.715 13.110) 19.711 2.021 ( 0.369 14.715 13.110) 19.711 2.276 ( -1.141 1.576 3.300) 3.831 2.276 ( 1.141 1.576 3.300) 3.831 2.395 ( -0.157 6.424 8.486) 10.644 2.395 ( 0.157 6.424 8.486) 10.644 2.780 ( -0.932 6.843 -1.664) 7.104 2.780 ( 0.932 6.843 -1.664) 7.104 2.972 ( -0.516 11.658 3.442) 12.166 2.972 ( 0.516 11.658 3.442) 12.166 3.095 ( -3.208 7.279 -0.887) 8.004 3.095 ( 3.208 7.279 -0.887) 8.004 3.180 ( -0.896 15.759 3.156) 16.097 3.180 ( 0.896 15.759 3.156) 16.097 3.581 ( -0.813 2.820 5.494) 6.229 3.581 ( 0.813 2.820 5.494) 6.229 3.678 ( -3.356 -6.743 2.318) 7.881 3.678 ( 3.356 -6.743 2.318) 7.881 3.930 ( -0.072 -1.249 2.340) 2.654 3.930 ( 0.072 -1.249 2.340) 2.654 4.216 ( -0.175 -12.400 -2.184) 12.592 4.216 ( 0.175 -12.400 -2.184) 12.592 4.431 ( -0.146 8.958 -1.685) 9.116 4.431 ( 0.146 8.958 -1.685) 9.116 4.577 ( -0.210 5.853 2.149) 6.239 4.577 ( 0.210 5.853 2.149) 6.239 5.059 ( -1.055 12.074 -4.889) 13.069 5.059 ( 1.055 12.074 -4.889) 13.069 5.519 ( -1.418 5.129 4.675) 7.084 5.519 ( 1.418 5.129 4.675) 7.084 5.825 ( -0.402 -2.211 -2.375) 3.270 5.825 ( 0.402 -2.211 -2.375) 3.270 6.016 ( -1.171 -14.197 -2.106) 14.400 6.016 ( 1.171 -14.197 -2.106) 14.400 6.192 ( -0.652 -7.830 -3.259) 8.507 6.192 ( 0.652 -7.830 -3.259) 8.507 6.683 ( -1.134 -8.072 6.997) 10.742 6.683 ( 1.134 -8.072 6.997) 10.742 7.247 ( -0.624 -1.520 -1.509) 2.231 7.247 ( 0.624 -1.520 -1.509) 2.231 7.298 ( -0.540 -1.228 -1.126) 1.751 7.298 ( 0.540 -1.228 -1.126) 1.751 7.424 ( -0.684 -1.528 -1.835) 2.483 7.424 ( 0.684 -1.528 -1.835) 2.483 7.711 ( -0.637 4.053 -1.644) 4.420 7.711 ( 0.637 4.053 -1.644) 4.420 7.904 ( -0.419 -4.818 -1.937) 5.210 7.904 ( 0.419 -4.818 -1.937) 5.210 10.698 ( -0.408 0.686 -0.872) 1.182 10.698 ( 0.408 0.686 -0.872) 1.182 10.886 ( -1.017 1.329 2.014) 2.619 10.886 ( 1.017 1.329 2.014) 2.619 11.353 ( -0.082 4.553 -4.897) 6.687 11.353 ( 0.082 4.553 -4.897) 6.687 11.478 ( -0.836 2.298 -0.908) 2.608 11.478 ( 0.836 2.298 -0.908) 2.608 11.592 ( -0.798 4.208 0.564) 4.320 11.592 ( 0.798 4.208 0.564) 4.320 11.782 ( -0.497 4.797 8.072) 9.403 11.782 ( 0.497 4.797 8.072) 9.403 12.388 ( -0.154 -1.604 -4.349) 4.638 12.388 ( 0.154 -1.604 -4.349) 4.638 12.457 ( -0.098 -0.080 0.135) 0.185 12.457 ( 0.098 -0.080 0.135) 0.185 13.754 ( -0.466 -0.613 2.242) 2.371 13.754 ( 0.466 -0.613 2.242) 2.371 13.854 ( -0.246 -1.263 1.562) 2.023 13.854 ( 0.246 -1.263 1.562) 2.023 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 5.110 8.290) 9.738 1.124 ( 0.000 5.799 8.969) 10.680 1.770 ( 0.000 -0.445 -0.329) 0.553 1.795 ( 0.000 -3.106 -1.239) 3.344 1.996 ( 0.000 -3.156 5.059) 5.963 2.042 ( 0.000 -6.487 5.315) 8.386 2.487 ( 0.000 2.943 1.661) 3.380 2.497 ( 0.000 1.988 2.288) 3.031 2.564 ( 0.000 18.751 10.088) 21.292 2.576 ( 0.000 18.716 10.278) 21.352 2.870 ( 0.000 4.544 -5.987) 7.516 2.926 ( 0.000 3.485 -7.347) 8.132 3.038 ( 0.000 -0.882 0.583) 1.057 3.087 ( 0.000 10.365 4.831) 11.435 3.154 ( 0.000 -12.359 2.813) 12.675 3.156 ( 0.000 -3.107 -0.507) 3.148 3.260 ( 0.000 -4.694 -1.725) 5.001 3.298 ( 0.000 5.025 1.884) 5.367 3.382 ( 0.000 -6.399 9.165) 11.178 3.549 ( 0.000 -11.314 4.034) 12.012 3.688 ( 0.000 4.433 5.736) 7.249 3.695 ( 0.000 4.860 7.372) 8.830 4.006 ( 0.000 -5.162 -4.644) 6.944 4.008 ( 0.000 -5.009 -4.716) 6.879 4.161 ( 0.000 15.566 2.246) 15.728 4.176 ( 0.000 15.493 1.634) 15.579 4.418 ( 0.000 -6.682 0.505) 6.701 4.449 ( 0.000 -7.572 -0.594) 7.595 4.789 ( 0.000 13.427 5.919) 14.674 4.817 ( 0.000 11.590 6.622) 13.348 5.241 ( 0.000 7.307 -5.435) 9.107 5.259 ( 0.000 5.310 -5.348) 7.537 5.574 ( 0.000 -1.051 -1.209) 1.602 5.619 ( 0.000 -7.789 -3.549) 8.559 5.703 ( 0.000 -1.722 2.734) 3.231 5.711 ( 0.000 2.550 1.246) 2.838 5.817 ( 0.000 -5.096 -0.365) 5.109 5.819 ( 0.000 -8.036 2.126) 8.312 6.048 ( 0.000 -4.618 -3.139) 5.584 6.061 ( 0.000 -6.104 -2.498) 6.595 6.559 ( 0.000 -1.627 6.716) 6.910 6.588 ( 0.000 -4.151 6.668) 7.855 7.198 ( 0.000 -1.627 0.113) 1.631 7.204 ( 0.000 -2.365 0.199) 2.374 7.282 ( 0.000 1.355 -0.922) 1.639 7.307 ( 0.000 -1.022 -1.082) 1.489 7.401 ( 0.000 0.788 -2.660) 2.774 7.420 ( 0.000 -0.993 -2.649) 2.829 7.759 ( 0.000 2.729 -2.071) 3.426 7.787 ( 0.000 2.392 -2.342) 3.348 7.816 ( 0.000 -3.125 -1.875) 3.644 7.839 ( 0.000 -3.013 -2.144) 3.698 10.704 ( 0.000 0.567 -0.544) 0.786 10.711 ( 0.000 -0.156 -0.595) 0.615 10.892 ( 0.000 1.371 1.383) 1.947 10.910 ( 0.000 -0.489 1.208) 1.303 11.430 ( 0.000 2.644 -6.836) 7.329 11.432 ( 0.000 2.715 -7.260) 7.751 11.492 ( 0.000 0.602 0.495) 0.779 11.505 ( 0.000 -0.674 -0.001) 0.674 11.640 ( 0.000 2.454 1.204) 2.734 11.656 ( 0.000 0.836 0.804) 1.160 11.850 ( 0.000 2.608 7.673) 8.104 11.860 ( 0.000 1.615 7.853) 8.018 12.357 ( 0.000 -0.704 -4.721) 4.773 12.364 ( 0.000 -1.215 -4.695) 4.850 12.453 ( 0.000 0.026 0.871) 0.872 12.455 ( 0.000 -0.196 0.715) 0.741 13.742 ( 0.000 0.148 2.413) 2.417 13.749 ( 0.000 -0.602 2.428) 2.501 13.837 ( 0.000 -0.444 1.781) 1.836 13.837 ( 0.000 -0.588 1.801) 1.895 ======================= Grid point 66 (29/75) ======================= q-point: ( 0.25 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.258 5.119 8.456) 9.888 1.125 ( 0.105 5.589 8.880) 10.493 1.768 ( -0.050 -0.866 -0.407) 0.958 1.786 ( -0.815 -2.587 -0.973) 2.881 2.006 ( 0.918 -3.759 4.900) 6.244 2.038 ( -0.470 -5.992 5.130) 7.902 2.485 ( -0.082 2.688 1.821) 3.248 2.492 ( -0.409 2.025 2.189) 3.010 2.567 ( 0.346 19.279 10.006) 21.724 2.578 ( 0.063 19.143 10.179) 21.681 2.884 ( 1.459 4.428 -5.926) 7.540 2.928 ( -0.082 4.894 -6.641) 8.249 3.044 ( 1.129 -1.070 0.556) 1.652 3.112 ( 1.972 9.507 3.203) 10.224 3.128 ( -1.515 -9.754 2.751) 10.247 3.172 ( 0.850 -8.299 -0.891) 8.390 3.243 ( -1.612 -1.743 0.028) 2.374 3.269 ( -2.899 5.874 0.937) 6.618 3.407 ( 2.697 -9.437 9.339) 13.548 3.529 ( -2.323 -11.030 5.928) 12.735 3.681 ( 0.309 5.169 5.492) 7.549 3.705 ( 0.127 5.019 6.274) 8.035 4.004 ( -0.101 -4.976 -4.570) 6.757 4.007 ( -0.125 -5.153 -4.587) 6.900 4.164 ( 0.326 15.426 2.032) 15.562 4.175 ( -0.136 15.391 1.660) 15.481 4.423 ( 0.547 -6.801 0.304) 6.830 4.445 ( -0.413 -7.432 -0.465) 7.458 4.793 ( 0.421 13.175 6.037) 14.498 4.813 ( -0.422 11.881 6.534) 13.566 5.243 ( 0.228 6.970 -5.374) 8.804 5.256 ( -0.329 5.570 -5.313) 7.705 5.576 ( 0.290 -1.773 -1.533) 2.362 5.607 ( -1.079 -5.958 -2.922) 6.723 5.710 ( 0.694 -1.397 2.325) 2.800 5.718 ( 0.459 1.024 1.371) 1.772 5.816 ( -0.106 -5.689 0.039) 5.690 5.818 ( -0.163 -7.305 1.630) 7.486 6.050 ( 0.199 -4.844 -3.035) 5.720 6.059 ( -0.195 -5.888 -2.583) 6.433 6.564 ( 0.474 -1.988 6.689) 6.994 6.584 ( -0.376 -3.775 6.656) 7.661 7.197 ( -0.087 -1.728 0.106) 1.734 7.201 ( -0.269 -2.187 0.186) 2.212 7.288 ( 0.565 1.003 -0.937) 1.484 7.306 ( -0.198 -0.620 -1.049) 1.235 7.403 ( 0.215 0.449 -2.650) 2.696 7.416 ( -0.345 -0.805 -2.638) 2.779 7.763 ( 0.419 2.659 -2.136) 3.436 7.783 ( -0.428 2.433 -2.324) 3.392 7.820 ( 0.379 -3.103 -1.898) 3.657 7.836 ( -0.328 -3.014 -2.086) 3.680 10.705 ( 0.092 0.479 -0.550) 0.735 10.710 ( -0.122 -0.029 -0.586) 0.599 10.895 ( 0.325 1.076 1.375) 1.776 10.908 ( -0.230 -0.235 1.251) 1.294 11.428 ( -0.173 2.547 -6.731) 7.199 11.430 ( -0.229 2.607 -7.016) 7.488 11.495 ( 0.300 0.495 0.180) 0.607 11.505 ( -0.065 -0.227 -0.190) 0.303 11.643 ( 0.299 2.089 1.232) 2.444 11.655 ( -0.147 1.134 0.874) 1.440 11.850 ( 0.055 2.454 7.766) 8.145 11.858 ( -0.239 1.809 7.846) 8.055 12.358 ( 0.099 -0.782 -4.726) 4.791 12.363 ( -0.090 -1.145 -4.708) 4.846 12.454 ( 0.053 -0.012 0.836) 0.838 12.455 ( -0.018 -0.168 0.731) 0.750 13.743 ( 0.104 0.035 2.414) 2.416 13.748 ( -0.110 -0.497 2.424) 2.477 13.836 ( -0.026 -0.455 1.790) 1.847 13.837 ( -0.039 -0.556 1.804) 1.888 ======================= Grid point 67 (30/75) ======================= q-point: (-0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.149 5.252 8.709) 10.171 1.125 ( 0.149 5.252 8.709) 10.171 1.772 ( -0.567 -1.683 -0.620) 1.881 1.772 ( 0.567 -1.683 -0.620) 1.881 2.024 ( -0.943 -4.922 4.865) 6.984 2.024 ( 0.943 -4.922 4.865) 6.984 2.486 ( -0.203 2.273 2.026) 3.052 2.486 ( 0.203 2.273 2.026) 3.052 2.574 ( -0.396 19.630 10.013) 22.040 2.574 ( 0.396 19.630 10.013) 22.040 2.914 ( -1.452 5.238 -5.888) 8.014 2.914 ( 1.452 5.238 -5.888) 8.014 3.082 ( -2.550 -3.186 0.917) 4.182 3.082 ( 2.550 -3.186 0.917) 4.182 3.166 ( -2.430 -2.399 0.827) 3.513 3.166 ( 2.430 -2.399 0.827) 3.513 3.225 ( -0.995 2.085 1.135) 2.574 3.225 ( 0.995 2.085 1.135) 2.574 3.470 ( -3.751 -10.486 8.244) 13.856 3.470 ( 3.751 -10.486 8.244) 13.856 3.696 ( -0.908 5.361 5.389) 7.655 3.696 ( 0.908 5.361 5.389) 7.655 4.005 ( -0.128 -5.050 -4.484) 6.754 4.005 ( 0.128 -5.050 -4.484) 6.754 4.171 ( -0.336 15.295 1.758) 15.399 4.171 ( 0.336 15.295 1.758) 15.399 4.435 ( -0.670 -7.107 -0.115) 7.140 4.435 ( 0.670 -7.107 -0.115) 7.140 4.803 ( -0.593 12.547 6.301) 14.053 4.803 ( 0.593 12.547 6.301) 14.053 5.249 ( -0.382 6.230 -5.295) 8.185 5.249 ( 0.382 6.230 -5.295) 8.185 5.587 ( -0.932 -3.487 -2.154) 4.203 5.587 ( 0.932 -3.487 -2.154) 4.203 5.721 ( -0.261 -0.620 1.798) 1.920 5.721 ( 0.261 -0.620 1.798) 1.920 5.815 ( -0.047 -6.418 0.774) 6.465 5.815 ( 0.047 -6.418 0.774) 6.465 6.055 ( -0.282 -5.371 -2.800) 6.064 6.055 ( 0.282 -5.371 -2.800) 6.064 6.575 ( -0.604 -2.874 6.653) 7.272 6.575 ( 0.604 -2.874 6.653) 7.272 7.197 ( -0.123 -1.934 0.137) 1.942 7.197 ( 0.123 -1.934 0.137) 1.942 7.299 ( -0.527 0.235 -0.987) 1.143 7.299 ( 0.527 0.235 -0.987) 1.143 7.409 ( -0.413 -0.259 -2.633) 2.677 7.409 ( 0.413 -0.259 -2.633) 2.677 7.773 ( -0.597 2.528 -2.254) 3.439 7.773 ( 0.597 2.528 -2.254) 3.439 7.828 ( -0.500 -3.044 -1.975) 3.663 7.828 ( 0.500 -3.044 -1.975) 3.663 10.707 ( -0.150 0.244 -0.566) 0.635 10.707 ( 0.150 0.244 -0.566) 0.635 10.902 ( -0.394 0.400 1.330) 1.444 10.902 ( 0.394 0.400 1.330) 1.444 11.427 ( -0.037 2.488 -6.731) 7.176 11.427 ( 0.037 2.488 -6.731) 7.176 11.501 ( -0.334 0.285 -0.220) 0.491 11.501 ( 0.334 0.285 -0.220) 0.491 11.650 ( -0.428 1.583 1.099) 1.974 11.650 ( 0.428 1.583 1.099) 1.974 11.853 ( -0.253 2.152 7.846) 8.140 11.853 ( 0.253 2.152 7.846) 8.140 12.360 ( -0.135 -0.967 -4.725) 4.825 12.360 ( 0.135 -0.967 -4.725) 4.825 12.455 ( -0.053 -0.094 0.774) 0.782 12.455 ( 0.053 -0.094 0.774) 0.782 13.746 ( -0.152 -0.235 2.418) 2.434 13.746 ( 0.152 -0.235 2.418) 2.434 13.836 ( -0.008 -0.495 1.803) 1.870 13.836 ( 0.008 -0.495 1.803) 1.870 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 0.000 21.074) 21.074 1.031 ( 0.000 0.000 7.463) 7.463 1.237 ( 0.000 0.000 31.362) 31.362 1.390 ( 0.000 0.000 27.330) 27.330 1.729 ( 0.000 0.000 18.609) 18.609 1.735 ( 0.000 0.000 19.710) 19.710 2.068 ( 0.000 0.000 27.835) 27.835 2.171 ( 0.000 0.000 26.350) 26.350 2.336 ( 0.000 0.000 -7.926) 7.926 2.392 ( 0.000 0.000 -6.362) 6.362 2.467 ( 0.000 0.000 -6.850) 6.850 2.472 ( 0.000 0.000 23.858) 23.858 2.503 ( 0.000 0.000 22.459) 22.459 2.593 ( 0.000 0.000 -7.294) 7.294 2.668 ( 0.000 0.000 22.458) 22.458 2.723 ( 0.000 0.000 32.579) 32.579 3.436 ( 0.000 0.000 0.214) 0.214 3.495 ( 0.000 0.000 -0.083) 0.083 3.593 ( 0.000 0.000 -0.518) 0.518 3.618 ( 0.000 0.000 3.015) 3.015 3.691 ( 0.000 0.000 4.665) 4.665 3.711 ( 0.000 0.000 -3.498) 3.498 3.734 ( 0.000 0.000 -3.945) 3.945 3.760 ( 0.000 0.000 -10.422) 10.422 4.282 ( 0.000 0.000 -7.069) 7.069 4.318 ( 0.000 0.000 -6.591) 6.591 4.475 ( 0.000 0.000 -6.627) 6.627 4.478 ( 0.000 0.000 -7.619) 7.619 4.515 ( 0.000 0.000 3.664) 3.664 4.519 ( 0.000 0.000 2.355) 2.355 4.781 ( 0.000 0.000 4.596) 4.596 4.787 ( 0.000 0.000 4.258) 4.258 5.550 ( 0.000 0.000 1.366) 1.366 5.639 ( 0.000 0.000 9.848) 9.848 5.663 ( 0.000 0.000 8.957) 8.957 5.731 ( 0.000 0.000 0.400) 0.400 6.255 ( 0.000 0.000 -12.334) 12.334 6.308 ( 0.000 0.000 -12.731) 12.731 6.340 ( 0.000 0.000 -9.177) 9.177 6.360 ( 0.000 0.000 -9.123) 9.123 7.035 ( 0.000 0.000 -2.408) 2.408 7.074 ( 0.000 0.000 -2.794) 2.794 7.158 ( 0.000 0.000 -8.644) 8.644 7.187 ( 0.000 0.000 -8.806) 8.806 7.284 ( 0.000 0.000 5.630) 5.630 7.335 ( 0.000 0.000 5.655) 5.655 7.470 ( 0.000 0.000 -1.784) 1.784 7.478 ( 0.000 0.000 -0.793) 0.793 7.603 ( 0.000 0.000 3.366) 3.366 7.635 ( 0.000 0.000 3.413) 3.413 8.034 ( 0.000 0.000 -4.946) 4.946 8.060 ( 0.000 0.000 -4.427) 4.427 10.657 ( 0.000 0.000 0.817) 0.817 10.721 ( 0.000 0.000 1.156) 1.156 10.897 ( 0.000 0.000 3.470) 3.470 10.909 ( 0.000 0.000 4.100) 4.100 11.089 ( 0.000 0.000 -5.585) 5.585 11.122 ( 0.000 0.000 -5.345) 5.345 11.306 ( 0.000 0.000 -1.209) 1.209 11.321 ( 0.000 0.000 -1.067) 1.067 11.376 ( 0.000 0.000 6.514) 6.514 11.464 ( 0.000 0.000 4.923) 4.923 11.760 ( 0.000 0.000 10.957) 10.957 11.786 ( 0.000 0.000 10.935) 10.935 12.297 ( 0.000 0.000 -7.763) 7.763 12.324 ( 0.000 0.000 -7.578) 7.578 12.403 ( 0.000 0.000 -2.738) 2.738 12.409 ( 0.000 0.000 -2.472) 2.472 13.803 ( 0.000 0.000 2.810) 2.810 13.850 ( 0.000 0.000 2.780) 2.780 13.898 ( 0.000 0.000 1.531) 1.531 13.969 ( 0.000 0.000 0.904) 0.904 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 7.659 0.000 17.447) 19.055 0.993 ( -4.174 0.000 8.530) 9.497 1.257 ( 2.101 0.000 30.812) 30.883 1.364 ( -2.545 0.000 27.991) 28.107 1.731 ( 0.266 0.000 18.662) 18.664 1.738 ( 0.157 0.000 19.361) 19.362 2.077 ( 1.074 0.000 27.350) 27.371 2.150 ( -2.081 0.000 26.302) 26.384 2.344 ( 0.782 0.000 -7.604) 7.644 2.381 ( -0.964 0.000 -6.536) 6.606 2.478 ( 0.672 0.000 22.228) 22.238 2.488 ( 1.990 0.000 -6.886) 7.168 2.505 ( -0.103 0.000 21.561) 21.561 2.575 ( -1.860 0.000 -7.219) 7.455 2.676 ( 0.949 0.000 26.292) 26.309 2.719 ( -0.514 0.000 31.987) 31.991 3.440 ( 0.464 0.000 0.012) 0.464 3.480 ( -1.380 0.000 -0.331) 1.419 3.597 ( 0.491 0.000 -0.812) 0.949 3.637 ( 1.746 0.000 3.554) 3.960 3.664 ( -3.104 0.000 -2.282) 3.853 3.687 ( -0.545 0.000 4.577) 4.609 3.757 ( 0.920 0.000 -6.782) 6.844 3.767 ( 0.566 0.000 -8.662) 8.680 4.282 ( 0.184 0.000 -6.991) 6.993 4.310 ( -0.804 0.000 -6.743) 6.791 4.477 ( 0.311 0.000 -6.512) 6.520 4.482 ( 0.302 0.000 -7.333) 7.339 4.514 ( -0.033 0.000 3.397) 3.397 4.517 ( -0.155 0.000 2.559) 2.563 4.782 ( 0.081 0.000 4.543) 4.543 4.786 ( -0.079 0.000 4.325) 4.326 5.576 ( 2.671 0.000 1.186) 2.923 5.642 ( 0.376 0.000 9.717) 9.724 5.660 ( -0.376 0.000 9.088) 9.095 5.704 ( -2.799 0.000 0.435) 2.832 6.265 ( 0.946 0.000 -12.355) 12.392 6.302 ( -0.642 0.000 -12.675) 12.692 6.343 ( 0.318 0.000 -9.182) 9.187 6.357 ( -0.312 0.000 -9.144) 9.149 7.039 ( 0.465 0.000 -2.409) 2.454 7.067 ( -0.721 0.000 -2.696) 2.791 7.162 ( 0.450 0.000 -8.658) 8.670 7.183 ( -0.446 0.000 -8.773) 8.785 7.292 ( 0.835 0.000 5.590) 5.652 7.328 ( -0.712 0.000 5.618) 5.663 7.471 ( 0.094 0.000 -1.638) 1.640 7.476 ( -0.140 0.000 -0.939) 0.949 7.608 ( 0.508 0.000 3.370) 3.408 7.630 ( -0.471 0.000 3.405) 3.438 8.037 ( 0.355 0.000 -4.788) 4.801 8.056 ( -0.387 0.000 -4.523) 4.540 10.662 ( 0.517 0.000 1.060) 1.179 10.705 ( -1.455 0.000 1.373) 2.000 10.894 ( -0.060 0.000 4.030) 4.030 10.906 ( -0.340 0.000 4.112) 4.126 11.094 ( 0.444 0.000 -5.556) 5.573 11.116 ( -0.546 0.000 -5.387) 5.414 11.308 ( 0.288 0.000 -1.181) 1.215 11.319 ( -0.191 0.000 -1.081) 1.098 11.383 ( 0.798 0.000 6.647) 6.695 11.441 ( -2.044 0.000 5.991) 6.330 11.762 ( 0.299 0.000 11.131) 11.135 11.781 ( -0.466 0.000 10.992) 11.002 12.301 ( 0.416 0.000 -7.685) 7.697 12.321 ( -0.409 0.000 -7.564) 7.575 12.404 ( 0.122 0.000 -2.716) 2.719 12.409 ( -0.045 0.000 -2.602) 2.602 13.811 ( 0.723 0.000 2.801) 2.893 13.844 ( -0.701 0.000 2.785) 2.872 13.908 ( 1.037 0.000 1.445) 1.778 13.958 ( -1.094 0.000 1.001) 1.483 ======================= Grid point 92 (33/75) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -7.945 0.000 11.929) 14.333 0.880 ( 7.945 0.000 11.929) 14.333 1.308 ( -3.222 0.000 29.450) 29.625 1.308 ( 3.222 0.000 29.450) 29.625 1.737 ( -0.253 0.000 18.870) 18.872 1.737 ( 0.253 0.000 18.870) 18.872 2.108 ( -2.184 0.000 26.538) 26.628 2.108 ( 2.184 0.000 26.538) 26.628 2.362 ( -1.093 0.000 -6.982) 7.067 2.362 ( 1.093 0.000 -6.982) 7.067 2.494 ( -0.945 0.000 20.750) 20.771 2.494 ( 0.945 0.000 20.750) 20.771 2.532 ( -2.593 0.000 -7.046) 7.508 2.532 ( 2.593 0.000 -7.046) 7.508 2.700 ( -1.465 0.000 30.684) 30.719 2.700 ( 1.465 0.000 30.684) 30.719 3.455 ( -1.174 0.000 -0.341) 1.223 3.455 ( 1.174 0.000 -0.341) 1.223 3.617 ( -1.847 0.000 -1.443) 2.344 3.617 ( 1.847 0.000 -1.443) 2.344 3.669 ( -1.478 0.000 4.247) 4.497 3.669 ( 1.478 0.000 4.247) 4.497 3.769 ( -0.363 0.000 -7.914) 7.922 3.769 ( 0.363 0.000 -7.914) 7.922 4.293 ( -0.923 0.000 -6.895) 6.957 4.293 ( 0.923 0.000 -6.895) 6.957 4.483 ( -0.204 0.000 -6.780) 6.783 4.483 ( 0.204 0.000 -6.780) 6.783 4.515 ( -0.110 0.000 2.946) 2.948 4.515 ( 0.110 0.000 2.946) 2.948 4.784 ( -0.143 0.000 4.441) 4.443 4.784 ( 0.143 0.000 4.441) 4.443 5.639 ( -3.887 0.000 0.750) 3.958 5.639 ( 3.887 0.000 0.750) 3.958 5.651 ( -0.532 0.000 9.402) 9.417 5.651 ( 0.532 0.000 9.402) 9.417 6.285 ( -1.121 0.000 -12.503) 12.553 6.285 ( 1.121 0.000 -12.503) 12.553 6.350 ( -0.447 0.000 -9.175) 9.186 6.350 ( 0.447 0.000 -9.175) 9.186 7.052 ( -0.849 0.000 -2.515) 2.655 7.052 ( 0.849 0.000 -2.515) 2.655 7.172 ( -0.634 0.000 -8.707) 8.730 7.172 ( 0.634 0.000 -8.707) 8.730 7.311 ( -1.077 0.000 5.568) 5.671 7.311 ( 1.077 0.000 5.568) 5.671 7.474 ( -0.162 0.000 -1.288) 1.298 7.474 ( 0.162 0.000 -1.288) 1.298 7.619 ( -0.688 0.000 3.386) 3.455 7.619 ( 0.688 0.000 3.386) 3.455 8.047 ( -0.588 0.000 -4.630) 4.667 8.047 ( 0.588 0.000 -4.630) 4.667 10.678 ( -1.285 0.000 1.446) 1.934 10.678 ( 1.285 0.000 1.446) 1.934 10.898 ( -0.424 0.000 4.270) 4.291 10.898 ( 0.424 0.000 4.270) 4.291 11.104 ( -0.690 0.000 -5.478) 5.521 11.104 ( 0.690 0.000 -5.478) 5.521 11.315 ( -0.329 0.000 -1.123) 1.170 11.315 ( 0.329 0.000 -1.123) 1.170 11.405 ( -1.660 0.000 6.752) 6.953 11.405 ( 1.660 0.000 6.752) 6.953 11.771 ( -0.623 0.000 11.129) 11.146 11.771 ( 0.623 0.000 11.129) 11.146 12.311 ( -0.595 0.000 -7.576) 7.599 12.311 ( 0.595 0.000 -7.576) 7.599 12.407 ( -0.161 0.000 -2.717) 2.721 12.407 ( 0.161 0.000 -2.717) 2.721 13.827 ( -1.000 0.000 2.793) 2.966 13.827 ( 1.000 0.000 2.793) 2.966 13.933 ( -1.508 0.000 1.228) 1.945 13.933 ( 1.508 0.000 1.228) 1.945 ======================= Grid point 95 (34/75) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 7.131 19.097) 20.385 1.034 ( 0.000 0.726 8.239) 8.271 1.486 ( 0.000 21.444 26.312) 33.944 1.578 ( 0.000 16.523 24.411) 29.477 1.897 ( 0.000 15.219 16.359) 22.344 1.929 ( 0.000 16.964 17.474) 24.354 2.105 ( 0.000 0.761 14.044) 14.064 2.189 ( 0.000 -2.619 5.361) 5.967 2.361 ( 0.000 4.635 -4.680) 6.587 2.399 ( 0.000 4.743 2.253) 5.251 2.461 ( 0.000 4.283 4.097) 5.927 2.526 ( 0.000 2.545 10.460) 10.765 2.575 ( 0.000 9.321 22.663) 24.505 2.635 ( 0.000 5.191 7.302) 8.959 2.743 ( 0.000 6.698 17.025) 18.295 2.801 ( 0.000 8.290 30.688) 31.788 3.314 ( 0.000 -10.493 1.807) 10.648 3.389 ( 0.000 -10.176 2.320) 10.437 3.572 ( 0.000 -1.647 -0.394) 1.694 3.637 ( 0.000 -2.944 2.800) 4.063 3.643 ( 0.000 2.587 -0.533) 2.641 3.754 ( 0.000 2.533 -4.608) 5.258 3.870 ( 0.000 11.583 -0.605) 11.599 3.875 ( 0.000 9.972 -7.225) 12.314 4.289 ( 0.000 -3.657 -3.616) 5.143 4.291 ( 0.000 -0.657 -4.557) 4.604 4.433 ( 0.000 -0.542 -6.999) 7.020 4.438 ( 0.000 -2.198 -8.060) 8.355 4.512 ( 0.000 -1.333 2.091) 2.480 4.532 ( 0.000 -1.583 0.050) 1.584 4.771 ( 0.000 -1.061 3.884) 4.026 4.771 ( 0.000 -0.654 4.288) 4.338 5.527 ( 0.000 -0.827 4.887) 4.956 5.600 ( 0.000 -1.878 8.017) 8.234 5.723 ( 0.000 4.554 5.736) 7.324 5.790 ( 0.000 3.886 1.849) 4.303 6.206 ( 0.000 -4.988 -12.477) 13.437 6.256 ( 0.000 -4.876 -12.787) 13.685 6.325 ( 0.000 -1.859 -7.417) 7.646 6.327 ( 0.000 -3.412 -7.570) 8.304 7.034 ( 0.000 -0.891 -1.065) 1.388 7.076 ( 0.000 -0.542 -1.778) 1.858 7.165 ( 0.000 0.778 -5.356) 5.412 7.168 ( 0.000 -1.620 -2.683) 3.134 7.262 ( 0.000 -1.582 -1.818) 2.410 7.297 ( 0.000 -3.010 1.088) 3.200 7.482 ( 0.000 0.395 -1.920) 1.960 7.486 ( 0.000 0.103 -0.929) 0.935 7.602 ( 0.000 0.372 3.329) 3.350 7.625 ( 0.000 -0.699 3.617) 3.684 8.007 ( 0.000 -2.729 -4.475) 5.241 8.031 ( 0.000 -2.910 -4.189) 5.101 10.666 ( 0.000 0.877 0.699) 1.122 10.693 ( 0.000 -1.832 1.786) 2.558 10.889 ( 0.000 -0.184 4.305) 4.309 10.918 ( 0.000 0.895 3.918) 4.019 11.110 ( 0.000 2.077 -5.754) 6.117 11.138 ( 0.000 1.569 -5.561) 5.778 11.346 ( 0.000 3.978 -1.650) 4.306 11.376 ( 0.000 4.785 -1.212) 4.936 11.395 ( 0.000 1.978 6.089) 6.402 11.484 ( 0.000 1.525 3.020) 3.383 11.796 ( 0.000 3.532 10.295) 10.884 11.807 ( 0.000 2.199 10.712) 10.936 12.299 ( 0.000 0.132 -7.669) 7.670 12.323 ( 0.000 -0.305 -7.520) 7.526 12.414 ( 0.000 1.066 -2.296) 2.531 12.417 ( 0.000 0.761 -2.175) 2.304 13.802 ( 0.000 -0.113 2.920) 2.922 13.846 ( 0.000 -0.424 2.902) 2.933 13.898 ( 0.000 -0.090 1.610) 1.613 13.958 ( 0.000 -1.103 0.985) 1.479 ======================= Grid point 96 (35/75) ======================= q-point: ( 0.25 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 6.136 5.641 16.588) 18.564 1.001 ( -3.649 1.318 9.279) 10.058 1.500 ( 1.418 20.832 25.961) 33.316 1.565 ( -1.355 17.366 24.574) 30.121 1.901 ( 0.420 15.279 16.446) 22.452 1.924 ( -0.537 16.420 17.195) 23.782 2.114 ( 0.951 0.548 12.977) 13.023 2.174 ( -1.552 -1.795 6.958) 7.352 2.368 ( 0.651 4.931 -3.655) 6.172 2.393 ( -0.547 4.831 0.962) 4.956 2.468 ( 0.777 3.927 6.577) 7.699 2.513 ( -1.181 2.830 11.146) 11.560 2.585 ( 0.962 7.410 15.273) 17.003 2.630 ( -0.745 5.425 6.310) 8.355 2.753 ( 1.219 7.659 23.286) 24.543 2.799 ( -0.395 8.341 29.834) 30.981 3.322 ( 0.862 -10.268 1.634) 10.433 3.374 ( -1.459 -9.972 1.838) 10.245 3.588 ( 1.435 -1.985 0.343) 2.474 3.632 ( -0.497 -2.574 2.677) 3.747 3.650 ( 0.685 2.494 -0.903) 2.739 3.722 ( -2.797 3.342 -2.980) 5.279 3.876 ( 0.427 10.224 -4.724) 11.270 3.880 ( 0.439 10.074 -4.414) 11.008 4.281 ( -0.103 -2.010 -4.533) 4.959 4.296 ( -0.145 -1.888 -4.338) 4.733 4.430 ( 0.116 -1.423 -6.651) 6.802 4.442 ( 0.048 -1.599 -6.985) 7.166 4.516 ( 0.398 -1.375 1.283) 1.922 4.531 ( -0.141 -1.405 0.013) 1.412 4.769 ( -0.104 -0.971 4.159) 4.272 4.771 ( -0.093 -0.780 4.310) 4.381 5.542 ( 1.507 -1.321 5.133) 5.510 5.594 ( -0.655 -2.083 7.486) 7.798 5.727 ( 0.503 4.764 5.344) 7.177 5.774 ( -1.553 4.304 2.396) 5.165 6.215 ( 0.928 -4.969 -12.500) 13.484 6.251 ( -0.597 -4.914 -12.753) 13.680 6.325 ( 0.008 -2.194 -7.442) 7.759 6.327 ( -0.035 -3.066 -7.528) 8.129 7.038 ( 0.477 -0.848 -1.158) 1.512 7.067 ( -0.797 -0.645 -1.640) 1.934 7.167 ( 0.174 0.442 -5.045) 5.067 7.170 ( 0.120 -1.054 -3.374) 3.537 7.267 ( 0.506 -1.851 -1.201) 2.264 7.292 ( -0.547 -2.851 0.809) 3.014 7.482 ( 0.051 0.370 -1.780) 1.819 7.485 ( -0.074 0.165 -1.080) 1.095 7.605 ( 0.343 0.187 3.377) 3.400 7.621 ( -0.348 -0.566 3.579) 3.640 8.011 ( 0.350 -2.732 -4.400) 5.191 8.028 ( -0.357 -2.886 -4.243) 5.144 10.667 ( 0.175 0.634 0.943) 1.149 10.686 ( -0.642 -1.228 1.728) 2.215 10.893 ( 0.424 0.145 4.303) 4.327 10.914 ( -0.424 0.821 3.993) 4.098 11.114 ( 0.367 1.997 -5.747) 6.095 11.133 ( -0.493 1.640 -5.611) 5.866 11.349 ( 0.308 3.935 -1.486) 4.217 11.368 ( -0.630 4.176 -0.599) 4.266 11.407 ( 1.032 2.501 5.307) 5.957 11.465 ( -1.803 1.971 4.051) 4.852 11.795 ( 0.004 3.280 10.623) 11.118 11.804 ( -0.293 2.367 10.745) 11.007 12.302 ( 0.355 0.070 -7.607) 7.615 12.319 ( -0.366 -0.250 -7.480) 7.493 12.415 ( 0.038 1.007 -2.299) 2.511 12.417 ( -0.014 0.779 -2.251) 2.382 13.809 ( 0.685 -0.153 2.912) 2.995 13.840 ( -0.647 -0.371 2.902) 2.996 13.906 ( 0.861 -0.259 1.545) 1.787 13.949 ( -0.978 -0.979 1.115) 1.777 ======================= Grid point 97 (36/75) ======================= q-point: (-0.50 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -6.709 3.080 12.295) 14.341 0.904 ( 6.709 3.080 12.295) 14.341 1.532 ( -1.980 19.217 25.170) 31.729 1.532 ( 1.980 19.217 25.170) 31.729 1.912 ( -0.685 15.605 16.729) 22.888 1.912 ( 0.685 15.605 16.729) 22.888 2.140 ( -1.836 -0.323 10.212) 10.380 2.140 ( 1.836 -0.323 10.212) 10.380 2.381 ( -0.715 5.085 -1.310) 5.299 2.381 ( 0.715 5.085 -1.310) 5.299 2.489 ( -1.362 3.083 9.475) 10.057 2.489 ( 1.362 3.083 9.475) 10.057 2.608 ( -1.431 5.919 8.113) 10.144 2.608 ( 1.431 5.919 8.113) 10.144 2.781 ( -1.519 8.424 28.579) 29.833 2.781 ( 1.519 8.424 28.579) 29.833 3.345 ( -1.527 -9.942 1.455) 10.163 3.345 ( 1.527 -9.942 1.455) 10.163 3.615 ( -1.336 -2.491 1.680) 3.288 3.615 ( 1.336 -2.491 1.680) 3.288 3.674 ( -2.068 3.274 -1.529) 4.163 3.674 ( 2.068 3.274 -1.529) 4.163 3.883 ( -0.192 9.789 -4.930) 10.962 3.883 ( 0.192 9.789 -4.930) 10.962 4.287 ( -0.635 -1.759 -4.775) 5.128 4.287 ( 0.635 -1.759 -4.775) 5.128 4.437 ( -0.501 -1.660 -6.109) 6.351 4.437 ( 0.501 -1.660 -6.109) 6.351 4.525 ( -0.498 -1.311 0.224) 1.421 4.525 ( 0.498 -1.311 0.224) 1.421 4.769 ( -0.085 -0.893 4.359) 4.450 4.769 ( 0.085 -0.893 4.359) 4.450 5.573 ( -1.615 -2.106 6.148) 6.696 5.573 ( 1.615 -2.106 6.148) 6.696 5.744 ( -1.425 4.906 3.974) 6.473 5.744 ( 1.425 4.906 3.974) 6.473 6.235 ( -1.059 -4.954 -12.624) 13.603 6.235 ( 1.059 -4.954 -12.624) 13.603 6.326 ( -0.057 -2.626 -7.478) 7.926 6.326 ( 0.057 -2.626 -7.478) 7.926 7.051 ( -0.870 -0.770 -1.386) 1.808 7.051 ( 0.870 -0.770 -1.386) 1.808 7.170 ( -0.110 -0.198 -4.394) 4.399 7.170 ( 0.110 -0.198 -4.394) 4.399 7.279 ( -0.764 -2.409 -0.026) 2.528 7.279 ( 0.764 -2.409 -0.026) 2.528 7.484 ( -0.087 0.285 -1.435) 1.466 7.484 ( 0.087 0.285 -1.435) 1.466 7.613 ( -0.489 -0.216 3.483) 3.524 7.613 ( 0.489 -0.216 3.483) 3.524 8.019 ( -0.534 -2.800 -4.312) 5.169 8.019 ( 0.534 -2.800 -4.312) 5.169 10.674 ( -0.544 -0.120 1.420) 1.526 10.674 ( 0.544 -0.120 1.420) 1.526 10.904 ( -0.637 0.598 4.179) 4.270 10.904 ( 0.637 0.598 4.179) 4.270 11.123 ( -0.593 1.812 -5.699) 6.010 11.123 ( 0.593 1.812 -5.699) 6.010 11.357 ( -0.552 3.939 -1.041) 4.111 11.357 ( 0.552 3.939 -1.041) 4.111 11.431 ( -1.640 2.467 5.126) 5.921 11.431 ( 1.640 2.467 5.126) 5.921 11.798 ( -0.325 2.776 10.812) 11.168 11.798 ( 0.325 2.776 10.812) 11.168 12.311 ( -0.500 -0.091 -7.498) 7.515 12.311 ( 0.500 -0.091 -7.498) 7.515 12.416 ( -0.071 0.872 -2.316) 2.476 12.416 ( 0.071 0.872 -2.316) 2.476 13.825 ( -0.936 -0.255 2.904) 3.061 13.825 ( 0.936 -0.255 2.904) 3.061 13.927 ( -1.295 -0.642 1.359) 1.984 13.927 ( 1.295 -0.642 1.359) 1.984 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 12.026 15.715) 19.789 1.073 ( 0.000 3.553 9.479) 10.123 1.859 ( 0.000 7.044 14.753) 16.348 1.867 ( 0.000 12.809 17.154) 21.408 2.103 ( 0.000 6.017 12.204) 13.607 2.108 ( 0.000 1.611 7.868) 8.031 2.195 ( 0.000 12.331 7.312) 14.336 2.233 ( 0.000 9.046 3.084) 9.557 2.453 ( 0.000 2.514 -0.802) 2.638 2.501 ( 0.000 0.937 -3.133) 3.270 2.581 ( 0.000 12.428 -0.295) 12.432 2.650 ( 0.000 9.925 8.916) 13.342 2.821 ( 0.000 14.733 9.543) 17.553 2.924 ( 0.000 10.851 12.814) 16.791 2.930 ( 0.000 21.754 17.916) 28.181 3.016 ( 0.000 8.573 15.314) 17.550 3.105 ( 0.000 -8.015 3.498) 8.745 3.169 ( 0.000 -5.369 13.883) 14.885 3.588 ( 0.000 3.332 -0.158) 3.336 3.622 ( 0.000 1.660 3.653) 4.012 3.677 ( 0.000 1.563 2.086) 2.606 3.777 ( 0.000 -0.075 -2.649) 2.650 4.038 ( 0.000 2.156 -4.583) 5.065 4.056 ( 0.000 1.323 -1.250) 1.821 4.250 ( 0.000 3.488 0.378) 3.509 4.279 ( 0.000 4.681 3.603) 5.907 4.368 ( 0.000 -6.274 -5.405) 8.281 4.410 ( 0.000 -6.332 -4.970) 8.049 4.473 ( 0.000 -0.137 -2.134) 2.138 4.493 ( 0.000 0.816 -0.226) 0.847 4.785 ( 0.000 4.199 0.779) 4.271 4.819 ( 0.000 6.435 0.787) 6.483 5.541 ( 0.000 2.281 7.038) 7.399 5.597 ( 0.000 1.621 7.144) 7.326 5.802 ( 0.000 3.078 3.095) 4.365 5.837 ( 0.000 0.474 0.689) 0.837 6.072 ( 0.000 -8.854 -11.146) 14.235 6.126 ( 0.000 -8.720 -11.100) 14.115 6.238 ( 0.000 -5.547 -4.630) 7.226 6.273 ( 0.000 -3.341 -3.965) 5.185 6.958 ( 0.000 -7.000 5.618) 8.976 7.012 ( 0.000 -6.362 5.103) 8.156 7.161 ( 0.000 1.027 -2.817) 2.998 7.192 ( 0.000 1.817 -3.111) 3.603 7.239 ( 0.000 -0.786 -6.134) 6.185 7.257 ( 0.000 -0.847 -5.908) 5.968 7.454 ( 0.000 -3.527 -1.395) 3.793 7.459 ( 0.000 -2.718 -1.633) 3.171 7.629 ( 0.000 1.330 1.791) 2.231 7.632 ( 0.000 2.605 0.738) 2.707 7.936 ( 0.000 -4.500 -3.676) 5.811 7.955 ( 0.000 -4.783 -3.700) 6.047 10.678 ( 0.000 0.258 1.568) 1.589 10.687 ( 0.000 1.135 0.628) 1.297 10.896 ( 0.000 0.734 4.194) 4.258 10.938 ( 0.000 0.980 3.369) 3.508 11.164 ( 0.000 3.352 -6.295) 7.131 11.179 ( 0.000 2.566 -6.344) 6.843 11.441 ( 0.000 5.205 -2.091) 5.609 11.446 ( 0.000 3.432 4.652) 5.781 11.479 ( 0.000 5.538 -1.754) 5.809 11.510 ( 0.000 1.244 2.125) 2.462 11.867 ( 0.000 3.885 10.108) 10.829 11.879 ( 0.000 4.833 9.511) 10.669 12.298 ( 0.000 -0.366 -7.349) 7.358 12.309 ( 0.000 -1.193 -7.095) 7.194 12.435 ( 0.000 1.040 -1.442) 1.778 12.437 ( 0.000 1.134 -1.253) 1.690 13.800 ( 0.000 -0.082 3.207) 3.208 13.835 ( 0.000 -0.662 3.210) 3.278 13.894 ( 0.000 -0.271 1.860) 1.879 13.930 ( 0.000 -1.749 1.542) 2.332 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 3.205 10.488 14.522) 18.198 1.056 ( -1.885 4.560 10.162) 11.297 1.858 ( 0.040 8.148 14.897) 16.980 1.867 ( -0.089 11.122 16.273) 19.711 2.101 ( -0.152 5.677 11.968) 13.247 2.104 ( -0.325 2.716 9.264) 9.659 2.199 ( 0.504 11.743 6.564) 13.463 2.227 ( -0.638 9.443 3.699) 10.162 2.459 ( 0.604 2.394 -1.213) 2.751 2.491 ( -0.913 1.786 -2.850) 3.485 2.598 ( 1.515 11.290 0.440) 11.399 2.646 ( -0.570 10.099 6.843) 12.212 2.820 ( 0.150 15.191 10.853) 18.670 2.873 ( -2.685 16.789 14.150) 22.121 2.977 ( 2.320 13.885 15.928) 21.258 3.018 ( 0.020 9.282 14.589) 17.291 3.115 ( 1.025 -7.193 5.470) 9.095 3.160 ( -0.959 -5.206 12.647) 13.711 3.596 ( 0.759 2.949 0.552) 3.095 3.621 ( -0.242 1.837 3.210) 3.706 3.686 ( 1.039 1.617 1.701) 2.567 3.757 ( -1.981 0.555 -1.548) 2.574 4.039 ( 0.154 1.971 -4.092) 4.544 4.052 ( -0.393 1.440 -1.724) 2.281 4.251 ( 0.255 3.503 0.421) 3.538 4.274 ( -0.561 3.829 2.158) 4.431 4.373 ( 0.581 -5.910 -4.485) 7.442 4.403 ( -0.698 -6.170 -4.211) 7.502 4.479 ( 0.547 0.031 -2.275) 2.340 4.494 ( 0.005 0.458 -0.869) 0.983 4.789 ( 0.525 4.641 0.870) 4.751 4.814 ( -0.509 6.183 0.857) 6.263 5.549 ( 0.865 2.038 6.920) 7.266 5.589 ( -0.776 1.569 7.000) 7.215 5.805 ( 0.355 2.815 2.822) 4.002 5.829 ( -0.746 0.949 1.059) 1.606 6.082 ( 1.015 -8.783 -11.067) 14.165 6.120 ( -0.651 -8.710 -11.058) 14.091 6.243 ( 0.501 -5.239 -4.539) 6.950 6.268 ( -0.563 -3.679 -4.068) 5.514 6.965 ( 0.713 -6.856 5.479) 8.805 7.003 ( -0.954 -6.375 5.079) 8.206 7.167 ( 0.571 1.004 -2.776) 3.007 7.188 ( -0.369 1.557 -3.031) 3.427 7.242 ( 0.284 -0.689 -6.076) 6.122 7.254 ( -0.242 -0.770 -5.923) 5.978 7.455 ( 0.070 -3.411 -1.426) 3.698 7.458 ( -0.057 -2.839 -1.596) 3.257 7.629 ( 0.024 1.518 1.625) 2.224 7.632 ( -0.081 2.421 0.879) 2.577 7.939 ( 0.294 -4.531 -3.674) 5.841 7.952 ( -0.277 -4.740 -3.697) 6.018 10.678 ( 0.069 0.431 1.452) 1.516 10.685 ( -0.205 1.040 0.800) 1.328 10.903 ( 0.738 0.788 4.053) 4.194 10.933 ( -0.540 0.961 3.480) 3.650 11.165 ( 0.147 3.216 -6.333) 7.104 11.175 ( -0.309 2.664 -6.366) 6.908 11.441 ( 0.030 4.985 -1.454) 5.193 11.445 ( -0.116 3.767 3.146) 4.910 11.482 ( 0.312 4.993 -0.591) 5.038 11.503 ( -0.670 2.053 2.175) 3.065 11.867 ( 0.054 4.065 10.122) 10.908 11.876 ( -0.342 4.748 9.763) 10.862 12.299 ( 0.171 -0.482 -7.296) 7.314 12.307 ( -0.165 -1.060 -7.103) 7.184 12.435 ( 0.025 1.047 -1.431) 1.773 12.436 ( -0.035 1.126 -1.308) 1.726 13.806 ( 0.556 -0.174 3.201) 3.253 13.830 ( -0.512 -0.581 3.204) 3.296 13.899 ( 0.463 -0.478 1.843) 1.959 13.924 ( -0.604 -1.522 1.625) 2.307 ======================= Grid point 102 (39/75) ======================= q-point: (-0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -3.620 7.271 12.099) 14.573 1.004 ( 3.620 7.271 12.099) 14.573 1.862 ( -0.366 9.317 15.186) 17.820 1.862 ( 0.366 9.317 15.186) 17.820 2.100 ( -0.083 4.608 11.209) 12.120 2.100 ( 0.083 4.608 11.209) 12.120 2.212 ( -0.851 10.494 5.075) 11.687 2.212 ( 0.851 10.494 5.075) 11.687 2.473 ( -0.922 2.215 -2.105) 3.192 2.473 ( 0.922 2.215 -2.105) 3.192 2.627 ( -1.465 10.429 2.920) 10.929 2.627 ( 1.465 10.429 2.920) 10.929 2.834 ( -1.464 16.281 12.987) 20.878 2.834 ( 1.464 16.281 12.987) 20.878 3.009 ( -1.084 10.817 14.831) 18.388 3.009 ( 1.084 10.817 14.831) 18.388 3.138 ( -1.353 -5.599 9.406) 11.029 3.138 ( 1.353 -5.599 9.406) 11.029 3.611 ( -0.781 2.279 1.990) 3.125 3.611 ( 0.781 2.279 1.990) 3.125 3.716 ( -2.156 1.444 0.450) 2.634 3.716 ( 2.156 1.444 0.450) 2.634 4.044 ( -0.385 1.655 -2.909) 3.369 4.044 ( 0.385 1.655 -2.909) 3.369 4.261 ( -0.732 3.325 0.681) 3.472 4.261 ( 0.732 3.325 0.681) 3.472 4.388 ( -0.896 -5.829 -3.672) 6.947 4.388 ( 0.896 -5.829 -3.672) 6.947 4.489 ( -0.505 0.146 -1.880) 1.952 4.489 ( 0.505 0.146 -1.880) 1.952 4.802 ( -0.763 5.500 0.941) 5.632 4.802 ( 0.763 5.500 0.941) 5.632 5.570 ( -1.235 1.652 6.825) 7.130 5.570 ( 1.235 1.652 6.825) 7.130 5.815 ( -0.729 1.996 2.000) 2.918 5.815 ( 0.729 1.996 2.000) 2.918 6.103 ( -1.130 -8.710 -11.011) 14.085 6.103 ( 1.130 -8.710 -11.011) 14.085 6.255 ( -0.755 -4.475 -4.309) 6.258 6.255 ( 0.755 -4.475 -4.309) 6.258 6.982 ( -1.145 -6.558 5.208) 8.452 6.982 ( 1.145 -6.558 5.208) 8.452 7.179 ( -0.626 1.155 -2.852) 3.140 7.179 ( 0.626 1.155 -2.852) 3.140 7.248 ( -0.368 -0.651 -5.981) 6.027 7.248 ( 0.368 -0.651 -5.981) 6.027 7.457 ( -0.091 -3.127 -1.508) 3.473 7.457 ( 0.091 -3.127 -1.508) 3.473 7.630 ( -0.074 1.972 1.240) 2.331 7.630 ( 0.074 1.972 1.240) 2.331 7.946 ( -0.411 -4.630 -3.683) 5.931 7.946 ( 0.411 -4.630 -3.683) 5.931 10.681 ( -0.188 0.775 1.152) 1.401 10.681 ( 0.188 0.775 1.152) 1.401 10.919 ( -0.898 0.892 3.754) 3.961 10.919 ( 0.898 0.892 3.754) 3.961 11.169 ( -0.314 2.921 -6.378) 7.022 11.169 ( 0.314 2.921 -6.378) 7.022 11.443 ( -0.130 4.430 0.406) 4.451 11.443 ( 0.130 4.430 0.406) 4.451 11.490 ( -0.639 3.654 1.400) 3.965 11.490 ( 0.639 3.654 1.400) 3.965 11.870 ( -0.244 4.445 10.063) 11.004 11.870 ( 0.244 4.445 10.063) 11.004 12.303 ( -0.227 -0.764 -7.180) 7.224 12.303 ( 0.227 -0.764 -7.180) 7.224 12.436 ( -0.035 1.086 -1.391) 1.765 12.436 ( 0.035 1.086 -1.391) 1.765 13.818 ( -0.755 -0.383 3.196) 3.306 13.818 ( 0.755 -0.383 3.196) 3.306 13.910 ( -0.748 -0.991 1.766) 2.158 13.910 ( 0.748 -0.991 1.766) 2.158 ======================= Grid point 105 (40/75) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 12.623 13.633) 18.580 1.176 ( 0.000 7.212 10.971) 13.130 1.844 ( 0.000 -3.579 4.232) 5.543 1.871 ( 0.000 -5.047 1.600) 5.294 2.231 ( 0.000 -3.198 6.842) 7.552 2.257 ( 0.000 1.261 5.658) 5.797 2.392 ( 0.000 10.289 4.167) 11.101 2.418 ( 0.000 14.045 8.496) 16.415 2.472 ( 0.000 6.051 5.722) 8.328 2.499 ( 0.000 3.916 4.045) 5.630 2.795 ( 0.000 3.209 3.853) 5.015 2.837 ( 0.000 -5.051 3.497) 6.143 2.920 ( 0.000 13.356 3.347) 13.769 2.987 ( 0.000 1.417 -1.572) 2.117 3.078 ( 0.000 11.902 -3.052) 12.287 3.202 ( 0.000 8.882 11.631) 14.635 3.226 ( 0.000 3.858 -1.253) 4.057 3.358 ( 0.000 7.985 13.944) 16.069 3.651 ( 0.000 1.774 0.901) 1.990 3.665 ( 0.000 1.028 3.298) 3.454 3.770 ( 0.000 4.795 11.589) 12.542 3.869 ( 0.000 10.072 10.925) 14.859 3.935 ( 0.000 -5.567 -2.008) 5.918 3.946 ( 0.000 -2.850 -1.298) 3.132 4.179 ( 0.000 -9.899 -1.999) 10.099 4.190 ( 0.000 -11.855 -1.150) 11.911 4.439 ( 0.000 7.603 2.832) 8.114 4.451 ( 0.000 4.341 2.991) 5.271 4.565 ( 0.000 11.586 -1.495) 11.682 4.623 ( 0.000 14.871 3.545) 15.288 4.935 ( 0.000 10.239 -4.651) 11.245 4.988 ( 0.000 9.880 -3.791) 10.583 5.603 ( 0.000 3.289 6.431) 7.223 5.649 ( 0.000 2.710 4.503) 5.256 5.799 ( 0.000 -4.392 -0.398) 4.410 5.815 ( 0.000 -2.223 -2.726) 3.517 5.884 ( 0.000 -9.521 -3.059) 10.001 5.933 ( 0.000 -10.136 -6.514) 12.049 6.129 ( 0.000 -5.599 -1.337) 5.757 6.192 ( 0.000 -5.618 -0.097) 5.619 6.808 ( 0.000 -7.536 8.280) 11.196 6.864 ( 0.000 -8.065 8.289) 11.565 7.183 ( 0.000 0.708 -4.252) 4.310 7.209 ( 0.000 -0.324 -4.681) 4.693 7.234 ( 0.000 0.349 -3.508) 3.526 7.266 ( 0.000 1.535 -3.484) 3.807 7.372 ( 0.000 -4.302 -2.065) 4.772 7.397 ( 0.000 -3.189 -2.400) 3.992 7.665 ( 0.000 2.153 -1.507) 2.629 7.685 ( 0.000 2.580 -2.157) 3.364 7.846 ( 0.000 -4.686 -3.152) 5.647 7.861 ( 0.000 -4.754 -3.438) 5.867 10.692 ( 0.000 0.947 1.213) 1.539 10.705 ( 0.000 0.727 0.811) 1.089 10.913 ( 0.000 0.975 3.533) 3.665 10.949 ( 0.000 0.162 2.835) 2.840 11.229 ( 0.000 3.208 -7.497) 8.155 11.231 ( 0.000 2.711 -7.768) 8.227 11.503 ( 0.000 2.752 4.429) 5.215 11.534 ( 0.000 1.231 2.978) 3.223 11.544 ( 0.000 4.748 -3.323) 5.795 11.574 ( 0.000 4.087 -3.046) 5.098 11.948 ( 0.000 4.324 9.415) 10.360 11.970 ( 0.000 4.372 9.204) 10.189 12.278 ( 0.000 -1.947 -6.634) 6.914 12.282 ( 0.000 -1.340 -6.879) 7.008 12.453 ( 0.000 0.754 -0.598) 0.962 12.454 ( 0.000 0.697 -0.280) 0.751 13.800 ( 0.000 0.086 3.555) 3.556 13.822 ( 0.000 -0.672 3.571) 3.634 13.888 ( 0.000 -0.422 2.248) 2.287 13.899 ( 0.000 -1.333 2.272) 2.634 ======================= Grid point 106 (41/75) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.803 11.717 13.164) 17.642 1.177 ( -0.056 7.878 11.278) 13.757 1.844 ( 0.071 -3.813 3.881) 5.441 1.864 ( -0.742 -4.910 2.000) 5.353 2.236 ( 0.439 -2.584 6.450) 6.962 2.254 ( -0.332 0.465 5.610) 5.639 2.395 ( 0.259 11.126 5.205) 12.286 2.412 ( -0.526 13.483 8.059) 15.717 2.478 ( 0.517 5.610 5.473) 7.855 2.496 ( -0.303 4.041 4.320) 5.923 2.799 ( 0.472 3.117 4.142) 5.205 2.829 ( -0.814 -1.922 4.315) 4.794 2.935 ( 1.666 10.284 0.812) 10.449 2.993 ( 0.067 3.525 -2.117) 4.112 3.077 ( 0.311 10.276 -1.326) 10.365 3.157 ( -3.015 6.951 4.004) 8.569 3.267 ( 2.600 5.648 6.924) 9.306 3.345 ( -1.335 7.382 13.064) 15.064 3.656 ( 0.445 2.013 1.020) 2.300 3.665 ( 0.016 1.404 2.904) 3.226 3.783 ( 1.370 5.201 11.900) 13.059 3.853 ( -1.647 8.606 11.242) 14.253 3.936 ( 0.096 -4.556 -2.071) 5.006 3.945 ( -0.190 -2.964 -1.181) 3.196 4.180 ( 0.093 -10.135 -1.836) 10.300 4.188 ( -0.211 -11.291 -1.293) 11.367 4.441 ( 0.210 7.160 2.851) 7.710 4.449 ( -0.147 4.858 2.964) 5.693 4.573 ( 0.849 12.010 -0.797) 12.066 4.614 ( -0.932 14.297 2.746) 14.588 4.944 ( 0.877 10.178 -4.478) 11.155 4.981 ( -0.736 9.918 -3.872) 10.673 5.607 ( 0.460 3.003 6.044) 6.764 5.640 ( -0.887 2.555 4.658) 5.386 5.801 ( 0.226 -3.846 -0.668) 3.910 5.813 ( -0.207 -2.142 -1.766) 2.784 5.894 ( 0.978 -9.762 -3.923) 10.566 5.928 ( -0.564 -10.116 -6.160) 11.857 6.138 ( 0.958 -5.569 -1.140) 5.765 6.183 ( -0.962 -5.586 -0.259) 5.674 6.816 ( 0.825 -7.573 8.247) 11.227 6.855 ( -0.884 -7.937 8.248) 11.480 7.185 ( 0.301 0.442 -4.277) 4.311 7.203 ( -0.536 -0.272 -4.528) 4.567 7.241 ( 0.629 0.554 -3.556) 3.653 7.262 ( -0.366 1.377 -3.482) 3.762 7.376 ( 0.402 -4.108 -2.107) 4.635 7.394 ( -0.367 -3.326 -2.342) 4.085 7.668 ( 0.274 2.215 -1.629) 2.763 7.682 ( -0.318 2.516 -2.088) 3.284 7.848 ( 0.251 -4.683 -3.184) 5.669 7.859 ( -0.208 -4.732 -3.387) 5.823 10.693 ( 0.172 0.929 1.169) 1.503 10.703 ( -0.236 0.777 0.889) 1.204 10.919 ( 0.649 0.841 3.432) 3.592 10.945 ( -0.454 0.269 2.944) 2.991 11.228 ( -0.082 3.122 -7.548) 8.168 11.230 ( -0.135 2.775 -7.737) 8.221 11.505 ( 0.175 2.718 4.000) 4.839 11.522 ( -0.766 2.442 1.993) 3.244 11.556 ( 0.747 3.751 -2.063) 4.345 11.573 ( -0.179 4.062 -2.855) 4.968 11.950 ( 0.269 4.364 9.431) 10.395 11.966 ( -0.403 4.409 9.288) 10.289 12.278 ( 0.067 -1.859 -6.663) 6.918 12.281 ( -0.052 -1.433 -6.840) 6.988 12.453 ( 0.026 0.746 -0.554) 0.929 12.454 ( -0.029 0.710 -0.350) 0.792 13.803 ( 0.342 -0.035 3.554) 3.570 13.819 ( -0.330 -0.572 3.565) 3.625 13.889 ( 0.126 -0.538 2.266) 2.333 13.896 ( -0.211 -1.180 2.285) 2.580 ======================= Grid point 107 (42/75) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.656 9.680 12.142) 15.542 1.170 ( 0.656 9.680 12.142) 15.542 1.850 ( -0.598 -4.410 2.961) 5.345 1.850 ( 0.598 -4.410 2.961) 5.345 2.246 ( -0.563 -1.152 5.816) 5.955 2.246 ( 0.563 -1.152 5.816) 5.955 2.402 ( -0.535 12.484 6.945) 14.295 2.402 ( 0.535 12.484 6.945) 14.295 2.488 ( -0.525 4.627 4.890) 6.752 2.488 ( 0.525 4.627 4.890) 6.752 2.812 ( -0.911 1.735 4.568) 4.971 2.812 ( 0.911 1.735 4.568) 4.971 2.973 ( -2.043 7.302 -2.057) 7.857 2.973 ( 2.043 7.302 -2.057) 7.857 3.104 ( -2.537 7.143 1.453) 7.718 3.104 ( 2.537 7.143 1.453) 7.718 3.312 ( -2.210 6.306 10.659) 12.580 3.312 ( 2.210 6.306 10.659) 12.580 3.663 ( -0.268 2.001 1.835) 2.728 3.663 ( 0.268 2.001 1.835) 2.728 3.817 ( -2.088 6.508 11.890) 13.714 3.817 ( 2.088 6.508 11.890) 13.714 3.940 ( -0.301 -3.438 -1.614) 3.810 3.940 ( 0.301 -3.438 -1.614) 3.810 4.183 ( -0.250 -10.550 -1.554) 10.666 4.183 ( 0.250 -10.550 -1.554) 10.666 4.445 ( -0.259 6.046 2.902) 6.711 4.445 ( 0.259 6.046 2.902) 6.711 4.593 ( -1.266 13.079 0.927) 13.173 4.593 ( 1.266 13.079 0.927) 13.173 4.963 ( -1.140 10.036 -4.131) 10.913 4.963 ( 1.140 10.036 -4.131) 10.913 5.621 ( -1.003 2.571 5.247) 5.928 5.621 ( 1.003 2.571 5.247) 5.928 5.807 ( -0.413 -2.729 -0.964) 2.923 5.807 ( 0.413 -2.729 -0.964) 2.923 5.913 ( -1.003 -10.013 -5.218) 11.336 5.913 ( 1.003 -10.013 -5.218) 11.336 6.161 ( -1.361 -5.546 -0.682) 5.751 6.161 ( 1.361 -5.546 -0.682) 5.751 6.835 ( -1.206 -7.710 8.211) 11.328 6.835 ( 1.206 -7.710 8.211) 11.328 7.193 ( -0.510 -0.019 -4.373) 4.402 7.193 ( 0.510 -0.019 -4.373) 4.402 7.253 ( -0.628 0.986 -3.508) 3.698 7.253 ( 0.628 0.986 -3.508) 3.698 7.385 ( -0.545 -3.689 -2.217) 4.338 7.385 ( 0.545 -3.689 -2.217) 4.338 7.674 ( -0.420 2.363 -1.884) 3.052 7.674 ( 0.420 2.363 -1.884) 3.052 7.854 ( -0.325 -4.696 -3.276) 5.735 7.854 ( 0.325 -4.696 -3.276) 5.735 10.698 ( -0.281 0.868 1.045) 1.387 10.698 ( 0.281 0.868 1.045) 1.387 10.933 ( -0.777 0.542 3.193) 3.331 10.933 ( 0.777 0.542 3.193) 3.331 11.228 ( -0.036 2.938 -7.652) 8.197 11.228 ( 0.036 2.938 -7.652) 8.197 11.510 ( -0.460 2.648 3.000) 4.028 11.510 ( 0.460 2.648 3.000) 4.028 11.567 ( -0.449 3.914 -2.446) 4.637 11.567 ( 0.449 3.914 -2.446) 4.637 11.957 ( -0.469 4.424 9.409) 10.408 11.957 ( 0.469 4.424 9.409) 10.408 12.280 ( -0.087 -1.649 -6.747) 6.946 12.280 ( 0.087 -1.649 -6.747) 6.946 12.453 ( -0.045 0.730 -0.465) 0.867 12.453 ( 0.045 0.730 -0.465) 0.867 13.811 ( -0.478 -0.314 3.555) 3.601 13.811 ( 0.478 -0.314 3.555) 3.601 13.892 ( -0.235 -0.840 2.291) 2.452 13.892 ( 0.235 -0.840 2.291) 2.452 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 6.855 12.806) 14.525 1.344 ( 0.000 6.150 13.389) 14.734 1.777 ( 0.000 -2.950 1.470) 3.296 1.782 ( 0.000 -3.517 0.213) 3.524 2.126 ( 0.000 -2.976 7.885) 8.428 2.172 ( 0.000 -6.298 7.315) 9.653 2.458 ( 0.000 1.800 -5.396) 5.689 2.478 ( 0.000 -0.204 -5.600) 5.604 2.722 ( 0.000 6.926 -2.360) 7.317 2.776 ( 0.000 7.998 1.892) 8.218 2.832 ( 0.000 10.510 9.865) 14.414 2.851 ( 0.000 5.798 6.615) 8.796 2.988 ( 0.000 4.773 -5.038) 6.940 3.093 ( 0.000 -1.026 -3.735) 3.874 3.215 ( 0.000 -8.298 7.210) 10.992 3.260 ( 0.000 -13.532 8.139) 15.791 3.315 ( 0.000 10.543 7.850) 13.144 3.349 ( 0.000 13.750 4.197) 14.376 3.569 ( 0.000 -7.251 8.724) 11.344 3.627 ( 0.000 -7.136 4.002) 8.182 3.809 ( 0.000 3.206 5.958) 6.765 3.852 ( 0.000 -0.150 6.150) 6.151 3.914 ( 0.000 -5.851 -4.220) 7.214 3.916 ( 0.000 -7.625 -2.982) 8.188 4.214 ( 0.000 11.403 2.200) 11.614 4.217 ( 0.000 11.802 3.377) 12.275 4.453 ( 0.000 -3.356 2.775) 4.355 4.459 ( 0.000 -3.896 1.513) 4.179 4.894 ( 0.000 17.200 3.965) 17.651 4.937 ( 0.000 13.763 4.274) 14.411 5.113 ( 0.000 6.244 -7.279) 9.590 5.135 ( 0.000 3.451 -6.838) 7.659 5.542 ( 0.000 -8.204 -2.209) 8.496 5.569 ( 0.000 -10.487 -1.173) 10.552 5.712 ( 0.000 -1.904 -0.778) 2.056 5.749 ( 0.000 -4.999 0.628) 5.038 5.844 ( 0.000 7.496 5.510) 9.303 5.880 ( 0.000 4.465 4.379) 6.254 6.019 ( 0.000 -6.086 0.889) 6.151 6.046 ( 0.000 -9.277 1.829) 9.456 6.710 ( 0.000 -1.956 8.389) 8.614 6.738 ( 0.000 -4.518 8.376) 9.517 7.187 ( 0.000 0.054 -1.864) 1.865 7.194 ( 0.000 -0.798 -1.767) 1.939 7.251 ( 0.000 1.240 -2.444) 2.740 7.278 ( 0.000 -1.147 -1.867) 2.191 7.326 ( 0.000 0.205 -5.171) 5.176 7.349 ( 0.000 -1.829 -4.557) 4.911 7.707 ( 0.000 2.251 -3.160) 3.880 7.727 ( 0.000 1.699 -3.670) 4.044 7.768 ( 0.000 -2.963 -2.977) 4.200 7.784 ( 0.000 -3.129 -3.503) 4.697 10.707 ( 0.000 0.600 1.143) 1.291 10.713 ( 0.000 0.059 1.036) 1.038 10.931 ( 0.000 0.871 2.960) 3.086 10.945 ( 0.000 -0.549 2.702) 2.757 11.272 ( 0.000 1.292 -8.897) 8.990 11.274 ( 0.000 1.181 -8.775) 8.854 11.544 ( 0.000 1.335 4.489) 4.684 11.552 ( 0.000 0.415 4.050) 4.072 11.613 ( 0.000 2.257 -4.019) 4.609 11.625 ( 0.000 1.054 -3.961) 4.099 12.019 ( 0.000 2.730 9.314) 9.706 12.032 ( 0.000 1.634 9.475) 9.615 12.245 ( 0.000 -0.983 -6.896) 6.966 12.252 ( 0.000 -1.436 -6.820) 6.969 12.462 ( 0.000 0.262 0.038) 0.265 12.463 ( 0.000 0.194 0.190) 0.272 13.804 ( 0.000 0.283 3.803) 3.814 13.811 ( 0.000 -0.493 3.813) 3.845 13.880 ( 0.000 -0.237 2.608) 2.618 13.882 ( 0.000 -0.433 2.672) 2.707 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.25 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.508 6.680 12.885) 14.522 1.344 ( -0.068 6.210 13.296) 14.675 1.772 ( -0.259 -3.199 1.127) 3.402 1.779 ( -0.343 -3.085 0.731) 3.189 2.132 ( 0.615 -3.612 7.627) 8.461 2.164 ( -0.769 -5.877 7.228) 9.347 2.460 ( 0.140 1.413 -5.406) 5.589 2.473 ( -0.475 0.083 -5.516) 5.537 2.729 ( 0.722 7.148 -1.116) 7.271 2.767 ( -0.865 8.559 2.144) 8.866 2.849 ( 1.603 10.994 9.185) 14.415 2.873 ( 1.665 8.192 7.560) 11.271 2.984 ( 0.135 1.668 -6.503) 6.714 3.074 ( -2.189 -1.724 -5.311) 5.998 3.218 ( 0.437 -9.569 7.529) 12.184 3.250 ( -0.900 -12.938 8.105) 15.294 3.316 ( 0.097 11.425 7.866) 13.871 3.338 ( -0.989 13.635 5.349) 14.680 3.584 ( 1.536 -7.647 7.975) 11.155 3.630 ( -0.034 -6.769 4.428) 8.088 3.809 ( 0.215 2.233 6.388) 6.770 3.844 ( -0.872 0.609 6.059) 6.152 3.914 ( 0.076 -5.981 -3.915) 7.149 3.917 ( 0.039 -6.829 -3.224) 7.552 4.213 ( -0.040 11.411 2.476) 11.677 4.216 ( -0.093 11.548 2.902) 11.908 4.454 ( 0.138 -3.419 2.578) 4.284 4.459 ( -0.062 -3.786 1.702) 4.151 4.900 ( 0.651 16.741 3.985) 17.221 4.931 ( -0.666 14.321 4.196) 14.938 5.116 ( 0.351 5.799 -7.187) 9.242 5.132 ( -0.322 3.823 -6.867) 7.866 5.543 ( 0.228 -8.412 -1.868) 8.620 5.563 ( -0.581 -9.811 -1.198) 9.901 5.718 ( 0.670 -2.407 -0.760) 2.611 5.745 ( -0.473 -4.505 0.212) 4.534 5.851 ( 0.664 6.809 5.415) 8.725 5.876 ( -0.438 4.722 4.576) 6.590 6.023 ( 0.394 -6.564 1.016) 6.654 6.042 ( -0.412 -8.822 1.685) 8.991 6.714 ( 0.443 -2.312 8.375) 8.699 6.734 ( -0.396 -4.126 8.366) 9.336 7.185 ( -0.091 -0.114 -1.854) 1.859 7.191 ( -0.322 -0.640 -1.817) 1.953 7.257 ( 0.620 0.998 -2.352) 2.629 7.276 ( -0.189 -0.576 -1.909) 2.003 7.328 ( 0.288 -0.314 -5.093) 5.111 7.345 ( -0.383 -1.680 -4.611) 4.922 7.709 ( 0.255 2.132 -3.265) 3.908 7.724 ( -0.354 1.780 -3.622) 4.051 7.771 ( 0.293 -2.988 -3.036) 4.270 7.782 ( -0.175 -3.060 -3.399) 4.577 10.708 ( 0.072 0.528 1.131) 1.250 10.712 ( -0.092 0.148 1.056) 1.070 10.934 ( 0.287 0.652 2.939) 3.024 10.944 ( -0.139 -0.350 2.757) 2.783 11.271 ( -0.088 1.272 -8.871) 8.963 11.272 ( -0.141 1.202 -8.783) 8.866 11.543 ( 0.022 1.165 4.189) 4.348 11.550 ( -0.194 0.719 4.059) 4.126 11.616 ( 0.317 1.945 -3.924) 4.391 11.625 ( -0.024 1.268 -3.832) 4.036 12.021 ( 0.169 2.587 9.373) 9.725 12.030 ( -0.216 1.815 9.482) 9.656 12.246 ( 0.095 -1.062 -6.889) 6.971 12.251 ( -0.107 -1.383 -6.835) 6.974 12.462 ( 0.007 0.246 0.067) 0.255 12.463 ( -0.007 0.210 0.142) 0.253 13.805 ( 0.106 0.167 3.804) 3.809 13.810 ( -0.117 -0.382 3.811) 3.832 13.880 ( -0.004 -0.260 2.623) 2.636 13.881 ( -0.040 -0.398 2.668) 2.698 ======================= Grid point 112 (45/75) ======================= q-point: (-0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.400 6.386 13.084) 14.565 1.340 ( 0.400 6.386 13.084) 14.565 1.772 ( -0.265 -3.052 1.010) 3.226 1.772 ( 0.265 -3.052 1.010) 3.226 2.147 ( -0.973 -4.847 7.261) 8.784 2.147 ( 0.973 -4.847 7.261) 8.784 2.464 ( -0.377 0.689 -5.424) 5.481 2.464 ( 0.377 0.689 -5.424) 5.481 2.747 ( -1.199 8.078 0.961) 8.223 2.747 ( 1.199 8.078 0.961) 8.223 2.879 ( -1.171 11.969 8.928) 14.978 2.879 ( 1.171 11.969 8.928) 14.978 3.017 ( -3.333 -2.683 -7.365) 8.518 3.017 ( 3.333 -2.683 -7.365) 8.518 3.232 ( -1.014 -11.808 7.779) 14.177 3.232 ( 1.014 -11.808 7.779) 14.177 3.322 ( -0.638 13.128 7.168) 14.971 3.322 ( 0.638 13.128 7.168) 14.971 3.615 ( -1.516 -7.305 6.134) 9.659 3.615 ( 1.516 -7.305 6.134) 9.659 3.823 ( -1.221 1.432 6.338) 6.611 3.823 ( 1.221 1.432 6.338) 6.611 3.916 ( -0.130 -6.115 -3.557) 7.075 3.916 ( 0.130 -6.115 -3.557) 7.075 4.214 ( -0.127 11.358 2.587) 11.650 4.214 ( 0.127 11.358 2.587) 11.650 4.457 ( -0.145 -3.578 2.136) 4.170 4.457 ( 0.145 -3.578 2.136) 4.170 4.915 ( -0.928 15.579 4.062) 16.127 4.915 ( 0.928 15.579 4.062) 16.127 5.124 ( -0.471 4.776 -6.997) 8.484 5.124 ( 0.471 4.776 -6.997) 8.484 5.551 ( -0.631 -8.899 -1.381) 9.027 5.551 ( 0.631 -8.899 -1.381) 9.027 5.733 ( -0.806 -3.445 -0.456) 3.567 5.733 ( 0.806 -3.445 -0.456) 3.567 5.865 ( -0.770 5.557 5.036) 7.539 5.865 ( 0.770 5.557 5.036) 7.539 6.032 ( -0.576 -7.704 1.342) 7.841 6.032 ( 0.576 -7.704 1.342) 7.841 6.724 ( -0.598 -3.201 8.357) 8.970 6.724 ( 0.598 -3.201 8.357) 8.970 7.186 ( -0.156 -0.395 -1.847) 1.895 7.186 ( 0.156 -0.395 -1.847) 1.895 7.269 ( -0.575 0.393 -2.136) 2.247 7.269 ( 0.575 0.393 -2.136) 2.247 7.336 ( -0.526 -1.188 -4.818) 4.990 7.336 ( 0.526 -1.188 -4.818) 4.990 7.716 ( -0.436 1.929 -3.471) 3.995 7.716 ( 0.436 1.929 -3.471) 3.995 7.777 ( -0.340 -2.995 -3.195) 4.393 7.777 ( 0.340 -2.995 -3.195) 4.393 10.710 ( -0.114 0.346 1.097) 1.156 10.710 ( 0.114 0.346 1.097) 1.156 10.940 ( -0.302 0.141 2.865) 2.885 10.940 ( 0.302 0.141 2.865) 2.885 11.270 ( -0.042 1.238 -8.819) 8.906 11.270 ( 0.042 1.238 -8.819) 8.906 11.546 ( -0.239 0.994 3.973) 4.102 11.546 ( 0.239 0.994 3.973) 4.102 11.622 ( -0.297 1.573 -3.761) 4.088 11.622 ( 0.297 1.573 -3.761) 4.088 12.025 ( -0.276 2.220 9.460) 9.721 12.025 ( 0.276 2.220 9.460) 9.721 12.248 ( -0.144 -1.236 -6.866) 6.978 12.248 ( 0.144 -1.236 -6.866) 6.978 12.463 ( -0.022 0.228 0.095) 0.248 12.463 ( 0.022 0.228 0.095) 0.248 13.807 ( -0.158 -0.111 3.806) 3.811 13.807 ( 0.158 -0.111 3.806) 3.811 13.881 ( -0.025 -0.323 2.651) 2.671 13.881 ( 0.025 -0.323 2.651) 2.671 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 0.000 22.386) 22.386 1.227 ( 0.000 0.000 12.792) 12.792 1.797 ( 0.000 0.000 25.157) 25.157 1.883 ( 0.000 0.000 22.362) 22.362 2.109 ( 0.000 0.000 20.025) 20.025 2.124 ( 0.000 0.000 15.569) 15.569 2.167 ( 0.000 0.000 -4.743) 4.743 2.254 ( 0.000 0.000 1.167) 1.167 2.257 ( 0.000 0.000 -8.260) 8.260 2.267 ( 0.000 0.000 -0.818) 0.818 2.360 ( 0.000 0.000 -1.779) 1.779 2.434 ( 0.000 0.000 -6.029) 6.029 2.871 ( 0.000 0.000 6.611) 6.611 3.001 ( 0.000 0.000 8.994) 8.994 3.023 ( 0.000 0.000 7.130) 7.130 3.162 ( 0.000 0.000 5.910) 5.910 3.443 ( 0.000 0.000 0.650) 0.650 3.503 ( 0.000 0.000 1.090) 1.090 3.637 ( 0.000 0.000 1.865) 1.865 3.659 ( 0.000 0.000 -1.647) 1.647 3.700 ( 0.000 0.000 13.508) 13.508 3.711 ( 0.000 0.000 6.786) 6.786 3.737 ( 0.000 0.000 9.701) 9.701 3.798 ( 0.000 0.000 6.487) 6.487 4.254 ( 0.000 0.000 -2.003) 2.003 4.269 ( 0.000 0.000 -3.322) 3.322 4.340 ( 0.000 0.000 4.024) 4.024 4.361 ( 0.000 0.000 3.966) 3.966 4.504 ( 0.000 0.000 -3.309) 3.309 4.517 ( 0.000 0.000 -2.954) 2.954 4.925 ( 0.000 0.000 8.466) 8.466 4.928 ( 0.000 0.000 8.302) 8.302 5.622 ( 0.000 0.000 6.304) 6.304 5.769 ( 0.000 0.000 3.570) 3.570 5.800 ( 0.000 0.000 6.037) 6.037 5.801 ( 0.000 0.000 4.049) 4.049 6.013 ( 0.000 0.000 -12.657) 12.657 6.063 ( 0.000 0.000 -12.551) 12.551 6.124 ( 0.000 0.000 -12.653) 12.653 6.143 ( 0.000 0.000 -12.915) 12.915 6.970 ( 0.000 0.000 -4.173) 4.173 6.989 ( 0.000 0.000 -8.299) 8.299 6.998 ( 0.000 0.000 -4.942) 4.942 7.010 ( 0.000 0.000 -9.036) 9.036 7.375 ( 0.000 0.000 3.714) 3.714 7.424 ( 0.000 0.000 3.484) 3.484 7.444 ( 0.000 0.000 -0.831) 0.831 7.469 ( 0.000 0.000 -0.075) 0.075 7.671 ( 0.000 0.000 3.822) 3.822 7.705 ( 0.000 0.000 3.972) 3.972 7.935 ( 0.000 0.000 -5.349) 5.349 7.969 ( 0.000 0.000 -4.993) 4.993 10.694 ( 0.000 0.000 2.907) 2.907 10.752 ( 0.000 0.000 2.264) 2.264 10.977 ( 0.000 0.000 -6.127) 6.127 10.982 ( 0.000 0.000 5.304) 5.304 10.991 ( 0.000 0.000 4.716) 4.716 11.012 ( 0.000 0.000 -6.013) 6.013 11.262 ( 0.000 0.000 -3.317) 3.317 11.279 ( 0.000 0.000 -3.377) 3.377 11.529 ( 0.000 0.000 9.195) 9.195 11.587 ( 0.000 0.000 7.807) 7.807 11.964 ( 0.000 0.000 10.191) 10.191 11.987 ( 0.000 0.000 9.860) 9.860 12.125 ( 0.000 0.000 -10.110) 10.110 12.154 ( 0.000 0.000 -10.045) 10.045 12.344 ( 0.000 0.000 -3.527) 3.527 12.354 ( 0.000 0.000 -3.416) 3.416 13.859 ( 0.000 0.000 2.882) 2.882 13.906 ( 0.000 0.000 2.871) 2.871 13.923 ( 0.000 0.000 0.933) 0.933 13.982 ( 0.000 0.000 0.401) 0.401 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 3.104 0.000 20.575) 20.808 1.210 ( -1.910 0.000 13.839) 13.970 1.809 ( 1.266 0.000 24.895) 24.927 1.870 ( -1.337 0.000 22.944) 22.983 2.106 ( -0.105 0.000 18.133) 18.133 2.119 ( -0.475 0.000 16.724) 16.730 2.183 ( 1.560 0.000 -5.016) 5.253 2.244 ( -1.279 0.000 -7.772) 7.877 2.251 ( -0.174 0.000 0.866) 0.884 2.262 ( -0.491 0.000 -0.307) 0.579 2.374 ( 1.335 0.000 -2.315) 2.672 2.424 ( -0.966 0.000 -5.260) 5.348 2.879 ( 0.920 0.000 6.899) 6.960 2.950 ( -2.916 0.000 8.371) 8.865 3.076 ( 3.183 0.000 6.865) 7.567 3.154 ( -0.916 0.000 5.808) 5.879 3.445 ( 0.329 0.000 0.715) 0.787 3.485 ( -1.601 0.000 1.075) 1.928 3.639 ( 0.251 0.000 1.678) 1.697 3.657 ( -0.332 0.000 -1.900) 1.929 3.703 ( 0.406 0.000 14.058) 14.063 3.731 ( -0.618 0.000 10.340) 10.359 3.735 ( 2.134 0.000 6.702) 7.033 3.793 ( -0.597 0.000 6.525) 6.552 4.248 ( -0.379 0.000 -1.406) 1.456 4.260 ( -0.833 0.000 -1.872) 2.049 4.351 ( 0.930 0.000 2.665) 2.822 4.366 ( 0.309 0.000 3.298) 3.312 4.504 ( 0.077 0.000 -3.257) 3.258 4.514 ( -0.316 0.000 -3.006) 3.022 4.926 ( 0.028 0.000 8.435) 8.435 4.928 ( -0.043 0.000 8.307) 8.307 5.641 ( 1.990 0.000 5.767) 6.101 5.744 ( -2.471 0.000 3.725) 4.470 5.800 ( 0.006 0.000 5.263) 5.263 5.801 ( -0.001 0.000 4.821) 4.821 6.024 ( 1.014 0.000 -12.451) 12.493 6.058 ( -0.534 0.000 -12.484) 12.496 6.127 ( 0.262 0.000 -12.704) 12.706 6.140 ( -0.299 0.000 -12.886) 12.889 6.973 ( 0.365 0.000 -4.251) 4.266 6.992 ( 0.326 0.000 -8.409) 8.415 6.993 ( -0.489 0.000 -4.795) 4.820 7.007 ( -0.312 0.000 -8.930) 8.935 7.382 ( 0.752 0.000 3.658) 3.735 7.417 ( -0.718 0.000 3.499) 3.572 7.448 ( 0.354 0.000 -0.719) 0.802 7.465 ( -0.398 0.000 -0.185) 0.439 7.676 ( 0.539 0.000 3.848) 3.886 7.700 ( -0.498 0.000 3.953) 3.985 7.940 ( 0.527 0.000 -5.281) 5.308 7.964 ( -0.501 0.000 -5.039) 5.063 10.700 ( 0.690 0.000 2.909) 2.990 10.741 ( -1.086 0.000 2.475) 2.702 10.981 ( 0.486 0.000 -6.113) 6.133 10.983 ( 0.126 0.000 5.284) 5.285 10.990 ( -0.143 0.000 4.836) 4.838 11.006 ( -0.602 0.000 -6.032) 6.062 11.265 ( 0.311 0.000 -3.325) 3.339 11.277 ( -0.199 0.000 -3.367) 3.372 11.536 ( 0.761 0.000 9.114) 9.146 11.576 ( -1.023 0.000 8.188) 8.251 11.967 ( 0.323 0.000 10.163) 10.168 11.983 ( -0.350 0.000 9.914) 9.920 12.129 ( 0.477 0.000 -10.099) 10.110 12.150 ( -0.413 0.000 -10.055) 10.064 12.345 ( 0.134 0.000 -3.519) 3.522 12.352 ( -0.148 0.000 -3.446) 3.450 13.866 ( 0.710 0.000 2.875) 2.961 13.899 ( -0.696 0.000 2.869) 2.953 13.932 ( 0.876 0.000 0.862) 1.228 13.974 ( -0.912 0.000 0.485) 1.033 ======================= Grid point 137 (48/75) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -3.546 0.000 16.834) 17.204 1.158 ( 3.546 0.000 16.834) 17.204 1.839 ( -1.845 0.000 24.078) 24.149 1.839 ( 1.845 0.000 24.078) 24.149 2.110 ( -0.450 0.000 17.244) 17.250 2.110 ( 0.450 0.000 17.244) 17.250 2.215 ( -1.754 0.000 -6.510) 6.742 2.215 ( 1.754 0.000 -6.510) 6.742 2.253 ( -0.405 0.000 0.384) 0.558 2.253 ( 0.405 0.000 0.384) 0.558 2.401 ( -1.480 0.000 -3.631) 3.921 2.401 ( 1.480 0.000 -3.631) 3.921 2.905 ( -1.940 0.000 7.643) 7.885 2.905 ( 1.940 0.000 7.643) 7.885 3.126 ( -2.133 0.000 5.976) 6.345 3.126 ( 2.133 0.000 5.976) 6.345 3.458 ( -1.122 0.000 0.894) 1.435 3.458 ( 1.122 0.000 0.894) 1.435 3.647 ( -0.617 0.000 0.266) 0.672 3.647 ( 0.617 0.000 0.266) 0.672 3.716 ( -0.903 0.000 12.200) 12.234 3.716 ( 0.903 0.000 12.200) 12.234 3.773 ( -1.698 0.000 6.616) 6.831 3.773 ( 1.698 0.000 6.616) 6.831 4.247 ( -0.352 0.000 -0.981) 1.042 4.247 ( 0.352 0.000 -0.981) 1.042 4.365 ( -0.444 0.000 2.330) 2.372 4.365 ( 0.444 0.000 2.330) 2.372 4.508 ( -0.290 0.000 -3.131) 3.145 4.508 ( 0.290 0.000 -3.131) 3.145 4.927 ( -0.074 0.000 8.358) 8.358 4.927 ( 0.074 0.000 8.358) 8.358 5.690 ( -3.073 0.000 4.590) 5.524 5.690 ( 3.073 0.000 4.590) 5.524 5.800 ( -0.052 0.000 5.042) 5.042 5.800 ( 0.052 0.000 5.042) 5.042 6.043 ( -1.007 0.000 -12.367) 12.408 6.043 ( 1.007 0.000 -12.367) 12.408 6.133 ( -0.400 0.000 -12.805) 12.811 6.133 ( 0.400 0.000 -12.805) 12.811 6.982 ( -0.605 0.000 -4.489) 4.530 6.982 ( 0.605 0.000 -4.489) 4.530 6.999 ( -0.450 0.000 -8.671) 8.683 6.999 ( 0.450 0.000 -8.671) 8.683 7.400 ( -1.034 0.000 3.558) 3.705 7.400 ( 1.034 0.000 3.558) 3.705 7.456 ( -0.527 0.000 -0.452) 0.694 7.456 ( 0.527 0.000 -0.452) 0.694 7.689 ( -0.729 0.000 3.904) 3.972 7.689 ( 0.729 0.000 3.904) 3.972 7.952 ( -0.732 0.000 -5.150) 5.201 7.952 ( 0.732 0.000 -5.150) 5.201 10.718 ( -1.227 0.000 2.798) 3.055 10.718 ( 1.227 0.000 2.798) 3.055 10.986 ( -0.239 0.000 5.106) 5.111 10.986 ( 0.239 0.000 5.106) 5.111 10.993 ( -0.760 0.000 -6.075) 6.122 10.993 ( 0.760 0.000 -6.075) 6.122 11.272 ( -0.351 0.000 -3.344) 3.363 11.272 ( 0.351 0.000 -3.344) 3.363 11.555 ( -1.219 0.000 8.793) 8.877 11.555 ( 1.219 0.000 8.793) 8.877 11.975 ( -0.485 0.000 10.049) 10.061 11.975 ( 0.485 0.000 10.049) 10.061 12.140 ( -0.634 0.000 -10.076) 10.096 12.140 ( 0.634 0.000 -10.076) 10.096 12.349 ( -0.206 0.000 -3.494) 3.500 12.349 ( 0.206 0.000 -3.494) 3.500 13.883 ( -0.992 0.000 2.869) 3.035 13.883 ( 0.992 0.000 2.869) 3.035 13.953 ( -1.265 0.000 0.680) 1.436 13.953 ( 1.265 0.000 0.680) 1.436 ======================= Grid point 140 (49/75) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 4.527 21.414) 21.887 1.238 ( 0.000 1.336 12.910) 12.979 1.944 ( 0.000 11.762 15.383) 19.365 2.006 ( 0.000 10.127 16.146) 19.059 2.167 ( 0.000 0.114 -1.453) 1.458 2.185 ( 0.000 -3.262 2.853) 4.334 2.205 ( 0.000 1.874 5.432) 5.746 2.224 ( 0.000 7.968 13.709) 15.857 2.319 ( 0.000 8.494 3.543) 9.203 2.333 ( 0.000 5.719 -3.476) 6.692 2.385 ( 0.000 6.693 4.665) 8.158 2.455 ( 0.000 4.908 -4.911) 6.943 2.921 ( 0.000 4.540 6.390) 7.838 3.063 ( 0.000 5.963 8.624) 10.485 3.064 ( 0.000 3.451 7.338) 8.109 3.197 ( 0.000 2.455 5.853) 6.347 3.384 ( 0.000 -4.679 4.453) 6.460 3.465 ( 0.000 -2.037 4.903) 5.310 3.572 ( 0.000 -6.829 2.235) 7.186 3.641 ( 0.000 -3.815 -3.838) 5.412 3.675 ( 0.000 3.361 3.129) 4.592 3.711 ( 0.000 1.689 5.442) 5.698 3.888 ( 0.000 9.467 10.409) 14.070 3.921 ( 0.000 10.745 6.482) 12.549 4.236 ( 0.000 -3.768 -11.745) 12.335 4.256 ( 0.000 -3.258 -10.671) 11.158 4.331 ( 0.000 0.578 12.241) 12.254 4.348 ( 0.000 3.459 13.908) 14.331 4.512 ( 0.000 -0.126 -1.951) 1.955 4.521 ( 0.000 0.227 -1.239) 1.260 4.893 ( 0.000 -3.066 7.418) 8.026 4.907 ( 0.000 -1.755 8.024) 8.213 5.644 ( 0.000 2.060 7.821) 8.088 5.734 ( 0.000 -1.389 6.291) 6.443 5.820 ( 0.000 1.317 2.206) 2.569 5.851 ( 0.000 2.220 3.057) 3.778 5.964 ( 0.000 -3.857 -12.089) 12.690 6.015 ( 0.000 -3.299 -11.816) 12.267 6.137 ( 0.000 0.407 -11.786) 11.793 6.140 ( 0.000 -0.835 -11.472) 11.503 6.973 ( 0.000 0.322 -4.477) 4.489 7.000 ( 0.000 0.692 -5.584) 5.627 7.026 ( 0.000 3.141 -7.137) 7.798 7.035 ( 0.000 2.392 -8.191) 8.533 7.313 ( 0.000 -5.503 4.015) 6.812 7.363 ( 0.000 -5.281 3.926) 6.581 7.449 ( 0.000 -0.467 -1.547) 1.616 7.469 ( 0.000 -1.014 -0.810) 1.298 7.667 ( 0.000 -0.318 3.589) 3.603 7.694 ( 0.000 -1.058 3.758) 3.904 7.915 ( 0.000 -2.016 -5.002) 5.393 7.945 ( 0.000 -2.475 -4.767) 5.371 10.702 ( 0.000 0.829 2.954) 3.068 10.737 ( 0.000 -1.089 2.920) 3.117 10.980 ( 0.000 0.050 4.468) 4.468 10.991 ( 0.000 1.284 -3.902) 4.108 11.002 ( 0.000 1.183 2.356) 2.636 11.027 ( 0.000 1.189 -5.209) 5.343 11.292 ( 0.000 2.990 -3.909) 4.921 11.316 ( 0.000 3.415 -4.440) 5.601 11.540 ( 0.000 1.220 8.805) 8.889 11.593 ( 0.000 0.658 7.481) 7.510 11.983 ( 0.000 1.904 8.287) 8.503 11.998 ( 0.000 1.134 8.172) 8.251 12.135 ( 0.000 1.025 -8.477) 8.539 12.162 ( 0.000 0.774 -8.361) 8.397 12.363 ( 0.000 1.821 -3.163) 3.650 12.367 ( 0.000 1.315 -3.139) 3.403 13.860 ( 0.000 0.086 2.971) 2.972 13.904 ( 0.000 -0.226 2.944) 2.952 13.924 ( 0.000 0.077 1.010) 1.013 13.975 ( 0.000 -0.735 0.606) 0.952 ======================= Grid point 141 (50/75) ======================= q-point: ( 0.25 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 2.529 3.946 19.873) 20.418 1.224 ( -1.549 1.707 13.879) 14.069 1.952 ( 0.850 11.334 15.433) 19.167 1.995 ( -1.038 10.114 15.922) 18.892 2.172 ( 0.434 0.215 -0.190) 0.520 2.185 ( -0.053 -2.876 1.837) 3.413 2.206 ( 0.124 2.647 6.500) 7.020 2.222 ( -0.304 6.986 12.534) 14.352 2.315 ( -0.385 9.046 3.829) 9.831 2.320 ( -0.816 5.703 -2.579) 6.312 2.403 ( 1.410 6.214 2.414) 6.814 2.447 ( -0.799 5.080 -3.591) 6.273 2.929 ( 0.965 4.606 6.652) 8.148 3.003 ( -3.015 4.918 8.033) 9.890 3.123 ( 2.916 3.913 7.078) 8.597 3.190 ( -0.782 2.474 5.807) 6.360 3.389 ( 0.624 -4.083 4.244) 5.922 3.441 ( -1.963 -2.386 4.310) 5.303 3.598 ( 2.083 -6.284 2.102) 6.946 3.640 ( -0.154 -4.160 -2.875) 5.059 3.676 ( 0.241 3.229 3.387) 4.686 3.703 ( -0.831 1.840 5.608) 5.961 3.894 ( 0.599 9.698 9.950) 13.908 3.917 ( -0.399 10.621 7.179) 12.826 4.231 ( -0.280 -3.308 -9.593) 10.151 4.246 ( -0.897 -3.010 -8.679) 9.230 4.340 ( 0.776 0.760 10.307) 10.364 4.352 ( 0.269 2.388 11.582) 11.828 4.512 ( 0.035 -0.078 -1.808) 1.810 4.520 ( -0.186 0.245 -1.351) 1.385 4.895 ( 0.236 -2.838 7.530) 8.051 4.906 ( -0.186 -1.911 7.943) 8.172 5.657 ( 1.308 1.509 7.372) 7.638 5.721 ( -1.370 -0.997 6.162) 6.390 5.823 ( 0.263 1.485 2.449) 2.876 5.843 ( -0.759 2.131 2.942) 3.711 5.975 ( 1.049 -3.731 -11.792) 12.412 6.010 ( -0.542 -3.369 -11.783) 12.267 6.137 ( 0.014 0.099 -11.736) 11.736 6.139 ( -0.045 -0.539 -11.509) 11.522 6.976 ( 0.333 0.335 -4.549) 4.574 6.995 ( -0.481 0.528 -5.263) 5.311 7.027 ( 0.136 3.116 -7.446) 8.073 7.034 ( -0.106 2.548 -8.074) 8.467 7.321 ( 0.795 -5.445 3.977) 6.789 7.356 ( -0.734 -5.291 3.918) 6.624 7.452 ( 0.299 -0.535 -1.436) 1.561 7.466 ( -0.315 -0.920 -0.915) 1.335 7.671 ( 0.413 -0.445 3.620) 3.671 7.690 ( -0.403 -0.966 3.738) 3.882 7.920 ( 0.455 -2.083 -4.957) 5.397 7.940 ( -0.431 -2.410 -4.797) 5.385 10.706 ( 0.419 0.614 3.001) 3.091 10.730 ( -0.643 -0.730 2.984) 3.138 10.983 ( 0.351 0.218 4.423) 4.442 10.995 ( 0.334 1.015 -0.834) 1.355 10.999 ( -0.168 1.291 -0.592) 1.430 11.021 ( -0.590 1.233 -5.256) 5.431 11.296 ( 0.349 2.997 -3.943) 4.965 11.312 ( -0.385 3.297 -4.307) 5.438 11.547 ( 0.728 1.193 8.678) 8.789 11.584 ( -0.872 0.807 7.783) 7.873 11.985 ( 0.184 1.775 8.307) 8.497 11.995 ( -0.240 1.234 8.206) 8.302 12.139 ( 0.439 0.987 -8.459) 8.528 12.159 ( -0.382 0.807 -8.377) 8.424 12.364 ( 0.038 1.740 -3.160) 3.608 12.366 ( -0.068 1.384 -3.149) 3.441 13.867 ( 0.668 0.043 2.960) 3.035 13.897 ( -0.646 -0.176 2.942) 3.018 13.931 ( 0.742 -0.050 0.963) 1.217 13.967 ( -0.798 -0.624 0.678) 1.219 ======================= Grid point 142 (51/75) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.906 2.722 16.596) 17.067 1.182 ( 2.906 2.722 16.596) 17.067 1.973 ( -1.303 10.509 15.593) 18.849 1.973 ( 1.303 10.509 15.593) 18.849 2.180 ( -0.410 -1.081 0.905) 1.468 2.180 ( 0.410 -1.081 0.905) 1.468 2.212 ( -0.597 4.689 9.449) 10.566 2.212 ( 0.597 4.689 9.449) 10.566 2.311 ( -0.153 7.573 0.786) 7.616 2.311 ( 0.153 7.573 0.786) 7.616 2.428 ( -1.224 5.575 -0.572) 5.737 2.428 ( 1.224 5.575 -0.572) 5.737 2.957 ( -2.031 4.777 7.349) 8.997 2.957 ( 2.031 4.777 7.349) 8.997 3.167 ( -1.819 2.921 6.121) 7.022 3.167 ( 1.819 2.921 6.121) 7.022 3.408 ( -1.465 -2.986 4.014) 5.213 3.408 ( 1.465 -2.986 4.014) 5.213 3.630 ( -1.160 -5.258 -0.233) 5.390 3.630 ( 1.160 -5.258 -0.233) 5.390 3.686 ( -0.840 2.561 4.833) 5.533 3.686 ( 0.840 2.561 4.833) 5.533 3.907 ( -0.708 10.217 8.686) 13.429 3.907 ( 0.708 10.217 8.686) 13.429 4.232 ( -0.465 -2.906 -7.687) 8.231 4.232 ( 0.465 -2.906 -7.687) 8.231 4.352 ( -0.387 1.229 9.432) 9.520 4.352 ( 0.387 1.229 9.432) 9.520 4.515 ( -0.268 0.117 -1.562) 1.590 4.515 ( 0.268 0.117 -1.562) 1.590 4.901 ( -0.313 -2.337 7.751) 8.102 4.901 ( 0.313 -2.337 7.751) 8.102 5.688 ( -1.953 0.201 6.495) 6.786 5.688 ( 1.953 0.201 6.495) 6.786 5.830 ( -0.552 1.846 2.825) 3.419 5.830 ( 0.552 1.846 2.825) 3.419 5.995 ( -1.002 -3.546 -11.707) 12.273 5.995 ( 1.002 -3.546 -11.707) 12.273 6.138 ( -0.085 -0.224 -11.614) 11.616 6.138 ( 0.085 -0.224 -11.614) 11.616 6.984 ( -0.586 0.383 -4.808) 4.859 6.984 ( 0.586 0.383 -4.808) 4.859 7.031 ( -0.218 2.871 -7.830) 8.343 7.031 ( 0.218 2.871 -7.830) 8.343 7.339 ( -1.072 -5.345 3.925) 6.717 7.339 ( 1.072 -5.345 3.925) 6.717 7.459 ( -0.434 -0.715 -1.172) 1.440 7.459 ( 0.434 -0.715 -1.172) 1.440 7.681 ( -0.575 -0.723 3.685) 3.799 7.681 ( 0.575 -0.723 3.685) 3.799 7.930 ( -0.629 -2.248 -4.870) 5.401 7.930 ( 0.629 -2.248 -4.870) 5.401 10.717 ( -0.740 0.014 3.047) 3.136 10.717 ( 0.740 0.014 3.047) 3.136 10.991 ( -0.461 0.557 4.443) 4.502 10.991 ( 0.461 0.557 4.443) 4.502 11.008 ( -0.730 1.346 -5.559) 5.766 11.008 ( 0.730 1.346 -5.559) 5.766 11.304 ( -0.502 3.092 -4.078) 5.142 11.304 ( 0.502 3.092 -4.078) 5.142 11.565 ( -1.102 1.059 8.315) 8.454 11.565 ( 1.102 1.059 8.315) 8.454 11.990 ( -0.313 1.490 8.282) 8.421 11.990 ( 0.313 1.490 8.282) 8.421 12.149 ( -0.582 0.894 -8.417) 8.484 12.149 ( 0.582 0.894 -8.417) 8.484 12.365 ( -0.083 1.557 -3.159) 3.523 12.365 ( 0.083 1.557 -3.159) 3.523 13.882 ( -0.928 -0.063 2.946) 3.089 13.882 ( 0.928 -0.063 2.946) 3.089 13.949 ( -1.089 -0.345 0.833) 1.414 13.949 ( 1.089 -0.345 0.833) 1.414 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 8.962 18.715) 20.750 1.289 ( 0.000 4.273 13.060) 13.742 2.033 ( 0.000 -4.648 2.115) 5.107 2.046 ( 0.000 -5.744 5.823) 8.179 2.132 ( 0.000 2.500 -7.758) 8.151 2.200 ( 0.000 5.541 -3.879) 6.764 2.300 ( 0.000 0.594 -2.993) 3.051 2.340 ( 0.000 0.164 -2.993) 2.997 2.489 ( 0.000 16.745 16.394) 23.434 2.494 ( 0.000 15.187 14.624) 21.084 2.710 ( 0.000 17.462 1.511) 17.527 2.711 ( 0.000 19.651 11.113) 22.576 2.995 ( 0.000 1.239 3.348) 3.570 3.053 ( 0.000 -6.922 7.117) 9.928 3.137 ( 0.000 -8.853 5.677) 10.517 3.177 ( 0.000 2.216 3.486) 4.130 3.340 ( 0.000 3.329 12.484) 12.920 3.494 ( 0.000 5.978 10.550) 12.126 3.530 ( 0.000 2.821 -4.889) 5.644 3.619 ( 0.000 3.467 -5.848) 6.798 3.761 ( 0.000 6.024 3.040) 6.748 3.766 ( 0.000 3.814 0.536) 3.852 4.047 ( 0.000 4.299 7.469) 8.618 4.051 ( 0.000 1.262 4.171) 4.357 4.142 ( 0.000 -4.651 -14.058) 14.807 4.181 ( 0.000 -3.205 -11.927) 12.350 4.423 ( 0.000 7.896 12.861) 15.092 4.466 ( 0.000 4.378 6.703) 8.006 4.495 ( 0.000 0.253 5.238) 5.244 4.554 ( 0.000 7.248 11.786) 13.836 4.838 ( 0.000 -1.470 4.326) 4.569 4.891 ( 0.000 0.906 5.484) 5.558 5.689 ( 0.000 1.959 7.711) 7.956 5.722 ( 0.000 -0.495 5.053) 5.078 5.778 ( 0.000 -5.634 -7.990) 9.776 5.829 ( 0.000 -3.765 -3.699) 5.278 5.947 ( 0.000 2.022 0.544) 2.094 5.973 ( 0.000 -1.950 -1.884) 2.711 6.107 ( 0.000 -2.040 -9.299) 9.520 6.148 ( 0.000 1.332 -9.494) 9.587 6.978 ( 0.000 -0.055 -3.238) 3.238 7.012 ( 0.000 0.405 -3.786) 3.807 7.090 ( 0.000 3.085 -6.626) 7.309 7.103 ( 0.000 4.393 -6.682) 7.997 7.189 ( 0.000 -6.841 3.550) 7.708 7.240 ( 0.000 -7.151 4.160) 8.273 7.415 ( 0.000 -3.072 -2.858) 4.196 7.420 ( 0.000 -4.078 -2.098) 4.586 7.661 ( 0.000 -0.256 2.199) 2.214 7.670 ( 0.000 -1.345 2.486) 2.827 7.859 ( 0.000 -3.715 -4.225) 5.626 7.878 ( 0.000 -4.323 -4.287) 6.088 10.723 ( 0.000 1.211 3.066) 3.297 10.726 ( 0.000 0.095 3.438) 3.439 10.987 ( 0.000 0.611 4.757) 4.796 11.012 ( 0.000 0.834 3.153) 3.261 11.040 ( 0.000 2.490 -5.088) 5.665 11.052 ( 0.000 1.495 -5.916) 6.102 11.365 ( 0.000 4.266 -5.249) 6.764 11.389 ( 0.000 3.861 -6.066) 7.191 11.574 ( 0.000 2.159 7.879) 8.170 11.613 ( 0.000 1.454 6.925) 7.076 12.028 ( 0.000 1.915 3.719) 4.183 12.029 ( 0.000 2.599 3.215) 4.134 12.160 ( 0.000 1.443 -4.107) 4.353 12.180 ( 0.000 1.009 -3.515) 3.657 12.399 ( 0.000 1.870 -2.449) 3.081 12.404 ( 0.000 2.192 -2.274) 3.158 13.863 ( 0.000 0.233 3.197) 3.205 13.898 ( 0.000 -0.345 3.140) 3.158 13.926 ( 0.000 0.071 1.254) 1.256 13.957 ( 0.000 -1.033 1.171) 1.562 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 1.134 8.183 17.724) 19.555 1.285 ( -0.487 4.874 13.718) 14.566 2.030 ( -0.228 -4.616 2.852) 5.431 2.040 ( -0.579 -5.541 4.942) 7.448 2.145 ( 1.249 2.676 -7.183) 7.766 2.192 ( -0.840 4.766 -4.582) 6.664 2.306 ( 0.614 0.804 -2.859) 3.033 2.335 ( -0.553 0.445 -2.854) 2.941 2.490 ( 0.125 16.439 16.065) 22.986 2.494 ( -0.010 15.454 14.934) 21.491 2.708 ( -0.140 17.970 4.024) 18.416 2.710 ( -0.175 19.021 8.876) 20.990 3.006 ( 1.096 1.147 3.582) 3.917 3.050 ( -0.461 -5.095 6.328) 8.137 3.130 ( -0.590 -8.598 5.554) 10.253 3.148 ( -2.153 -0.492 4.333) 4.863 3.378 ( 3.286 4.491 11.499) 12.775 3.478 ( -1.585 6.451 9.963) 11.975 3.551 ( 1.813 2.165 -3.982) 4.881 3.611 ( -0.930 3.041 -5.466) 6.324 3.760 ( -0.084 5.814 2.618) 6.377 3.764 ( -0.235 4.239 0.871) 4.334 4.047 ( 0.095 3.630 6.731) 7.648 4.051 ( -0.043 1.532 4.467) 4.723 4.146 ( 0.473 -4.121 -13.262) 13.895 4.174 ( -0.680 -3.116 -11.696) 12.123 4.430 ( 0.739 7.173 11.513) 13.585 4.460 ( -0.627 4.535 7.078) 8.430 4.502 ( 0.774 1.498 6.534) 6.748 4.544 ( -0.957 6.271 10.971) 12.673 4.847 ( 0.886 -1.070 4.503) 4.712 4.884 ( -0.697 0.593 5.311) 5.389 5.691 ( 0.262 1.456 7.055) 7.208 5.713 ( -0.749 -0.446 4.737) 4.816 5.786 ( 0.830 -5.021 -6.642) 8.368 5.821 ( -0.758 -3.796 -3.982) 5.553 5.954 ( 0.653 1.354 0.146) 1.511 5.972 ( -0.153 -1.374 -1.441) 1.997 6.112 ( 0.518 -1.564 -9.432) 9.575 6.141 ( -0.691 0.855 -9.533) 9.596 6.982 ( 0.409 0.008 -3.256) 3.282 7.006 ( -0.644 0.317 -3.617) 3.688 7.092 ( 0.185 3.202 -6.676) 7.406 7.101 ( -0.207 4.051 -6.676) 7.811 7.198 ( 0.911 -6.716 3.567) 7.659 7.234 ( -0.664 -7.010 4.029) 8.112 7.415 ( 0.090 -3.209 -2.743) 4.223 7.419 ( -0.067 -3.922 -2.206) 4.501 7.662 ( 0.101 -0.432 2.251) 2.295 7.668 ( -0.153 -1.200 2.454) 2.736 7.862 ( 0.294 -3.798 -4.231) 5.693 7.875 ( -0.266 -4.230 -4.277) 6.021 10.723 ( 0.021 1.066 3.139) 3.316 10.725 ( -0.087 0.287 3.397) 3.411 10.992 ( 0.584 0.673 4.854) 4.935 11.012 ( -0.108 0.750 4.418) 4.482 11.038 ( -0.092 2.400 -6.240) 6.686 11.048 ( -0.405 1.618 -6.132) 6.355 11.368 ( 0.313 4.211 -5.297) 6.774 11.385 ( -0.423 3.932 -5.855) 7.065 11.580 ( 0.615 2.083 7.703) 8.003 11.607 ( -0.592 1.592 7.053) 7.255 12.027 ( -0.025 2.094 3.644) 4.203 12.029 ( -0.056 2.429 3.347) 4.136 12.163 ( 0.332 1.375 -4.018) 4.260 12.177 ( -0.282 1.069 -3.600) 3.766 12.400 ( 0.063 1.919 -2.423) 3.092 12.403 ( -0.096 2.150 -2.296) 3.147 13.868 ( 0.537 0.143 3.182) 3.230 13.893 ( -0.516 -0.264 3.141) 3.194 13.930 ( 0.442 -0.087 1.257) 1.335 13.952 ( -0.509 -0.869 1.200) 1.566 ======================= Grid point 147 (54/75) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -1.188 6.441 15.555) 16.878 1.269 ( 1.188 6.441 15.555) 16.878 2.030 ( -0.346 -4.982 3.891) 6.331 2.030 ( 0.346 -4.982 3.891) 6.331 2.171 ( -1.401 3.452 -6.009) 7.071 2.171 ( 1.401 3.452 -6.009) 7.071 2.321 ( -0.908 0.854 -2.731) 3.002 2.321 ( 0.908 0.854 -2.731) 3.002 2.493 ( -0.132 15.934 15.498) 22.228 2.493 ( 0.132 15.934 15.498) 22.228 2.707 ( -0.075 18.431 6.587) 19.573 2.707 ( 0.075 18.431 6.587) 19.573 3.031 ( -1.459 -0.458 4.556) 4.806 3.031 ( 1.459 -0.458 4.556) 4.806 3.124 ( -0.274 -6.259 5.201) 8.143 3.124 ( 0.274 -6.259 5.201) 8.143 3.437 ( -2.845 5.932 10.633) 12.504 3.437 ( 2.845 5.932 10.633) 12.504 3.585 ( -1.776 2.252 -4.533) 5.364 3.585 ( 1.776 2.252 -4.533) 5.364 3.760 ( -0.101 5.140 1.697) 5.414 3.760 ( 0.101 5.140 1.697) 5.414 4.049 ( -0.098 2.373 5.345) 5.849 4.049 ( 0.098 2.373 5.345) 5.849 4.159 ( -0.877 -3.306 -11.944) 12.424 4.159 ( 0.877 -3.306 -11.944) 12.424 4.446 ( -0.874 5.608 8.834) 10.500 4.446 ( 0.874 5.608 8.834) 10.500 4.522 ( -1.295 3.991 8.980) 9.912 4.522 ( 1.295 3.991 8.980) 9.912 4.867 ( -1.125 -0.198 4.906) 5.037 4.867 ( 1.125 -0.198 4.906) 5.037 5.699 ( -0.660 0.355 5.603) 5.653 5.699 ( 0.660 0.355 5.603) 5.653 5.804 ( -1.028 -4.212 -4.986) 6.608 5.804 ( 1.028 -4.212 -4.986) 6.608 5.966 ( -0.570 -0.041 -0.614) 0.839 5.966 ( 0.570 -0.041 -0.614) 0.839 6.125 ( -0.872 -0.353 -9.567) 9.613 6.125 ( 0.872 -0.353 -9.567) 9.613 6.992 ( -0.713 0.154 -3.370) 3.448 6.992 ( 0.713 0.154 -3.370) 3.448 7.096 ( -0.242 3.535 -6.700) 7.579 7.096 ( 0.242 3.535 -6.700) 7.579 7.217 ( -1.076 -6.753 3.752) 7.800 7.217 ( 1.076 -6.753 3.752) 7.800 7.417 ( -0.110 -3.556 -2.471) 4.332 7.417 ( 0.110 -3.556 -2.471) 4.332 7.665 ( -0.179 -0.832 2.363) 2.511 7.665 ( 0.179 -0.832 2.363) 2.511 7.869 ( -0.397 -4.009 -4.252) 5.857 7.869 ( 0.397 -4.009 -4.252) 5.857 10.724 ( -0.080 0.700 3.284) 3.359 10.724 ( 0.080 0.700 3.284) 3.359 11.005 ( -0.631 0.742 5.251) 5.341 11.005 ( 0.631 0.742 5.251) 5.341 11.040 ( -0.355 1.984 -6.804) 7.097 11.040 ( 0.355 1.984 -6.804) 7.097 11.376 ( -0.511 4.080 -5.498) 6.865 11.376 ( 0.511 4.080 -5.498) 6.865 11.594 ( -0.841 1.868 7.357) 7.637 11.594 ( 0.841 1.868 7.357) 7.637 12.027 ( -0.042 2.266 3.524) 4.190 12.027 ( 0.042 2.266 3.524) 4.190 12.171 ( -0.433 1.218 -3.807) 4.021 12.171 ( 0.433 1.218 -3.807) 4.021 12.401 ( -0.107 2.038 -2.358) 3.118 12.401 ( 0.107 2.038 -2.358) 3.118 13.881 ( -0.745 -0.065 3.154) 3.242 13.881 ( 0.745 -0.065 3.154) 3.242 13.941 ( -0.671 -0.475 1.244) 1.492 13.941 ( 0.671 -0.475 1.244) 1.492 ======================= Grid point 150 (55/75) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 8.162 13.157) 15.483 1.427 ( 0.000 10.531 15.529) 18.763 1.915 ( 0.000 -6.183 2.905) 6.831 1.938 ( 0.000 -5.160 5.424) 7.486 2.215 ( 0.000 5.387 -8.032) 9.671 2.283 ( 0.000 -1.259 -7.946) 8.045 2.285 ( 0.000 2.733 -4.401) 5.180 2.315 ( 0.000 -1.851 -6.252) 6.520 2.781 ( 0.000 -3.434 3.517) 4.915 2.800 ( 0.000 1.603 14.471) 14.559 2.826 ( 0.000 12.673 10.929) 16.734 2.855 ( 0.000 3.360 7.914) 8.598 2.930 ( 0.000 -6.850 -3.012) 7.483 3.074 ( 0.000 0.523 3.440) 3.480 3.129 ( 0.000 16.323 9.134) 18.705 3.195 ( 0.000 8.966 3.699) 9.699 3.445 ( 0.000 4.652 12.147) 13.008 3.603 ( 0.000 1.393 9.806) 9.904 3.619 ( 0.000 4.672 -4.446) 6.449 3.690 ( 0.000 2.045 -1.628) 2.614 3.848 ( 0.000 2.195 -4.532) 5.036 3.880 ( 0.000 2.173 -4.464) 4.965 4.010 ( 0.000 -4.508 6.955) 8.289 4.090 ( 0.000 3.278 -3.316) 4.663 4.095 ( 0.000 -5.767 -2.654) 6.348 4.109 ( 0.000 5.702 4.278) 7.128 4.458 ( 0.000 0.981 0.177) 0.997 4.485 ( 0.000 0.400 0.757) 0.856 4.694 ( 0.000 13.326 13.475) 18.951 4.771 ( 0.000 10.930 10.393) 15.082 4.875 ( 0.000 5.723 -1.295) 5.868 4.958 ( 0.000 5.675 0.392) 5.689 5.608 ( 0.000 -7.596 -6.597) 10.061 5.660 ( 0.000 -5.364 -3.195) 6.243 5.777 ( 0.000 3.694 4.480) 5.807 5.796 ( 0.000 -0.632 1.855) 1.960 5.922 ( 0.000 -1.537 4.079) 4.360 5.953 ( 0.000 -1.880 5.221) 5.549 6.096 ( 0.000 0.818 -2.425) 2.559 6.174 ( 0.000 0.260 -2.349) 2.364 6.942 ( 0.000 -4.391 4.535) 6.312 6.988 ( 0.000 -4.026 3.294) 5.202 7.095 ( 0.000 -1.216 -2.731) 2.990 7.129 ( 0.000 -2.757 -1.693) 3.236 7.147 ( 0.000 2.334 -5.614) 6.080 7.178 ( 0.000 3.052 -5.481) 6.274 7.324 ( 0.000 -5.432 -3.048) 6.228 7.339 ( 0.000 -4.487 -3.964) 5.987 7.649 ( 0.000 -0.609 0.037) 0.610 7.659 ( 0.000 0.015 -0.294) 0.294 7.781 ( 0.000 -4.216 -3.470) 5.460 7.789 ( 0.000 -4.603 -3.894) 6.029 10.737 ( 0.000 0.812 3.441) 3.535 10.744 ( 0.000 0.903 3.217) 3.342 11.000 ( 0.000 0.682 5.303) 5.347 11.022 ( 0.000 0.212 4.432) 4.437 11.082 ( 0.000 1.566 -7.216) 7.383 11.085 ( 0.000 2.032 -6.891) 7.185 11.444 ( 0.000 3.687 -6.714) 7.660 11.457 ( 0.000 3.074 -7.253) 7.877 11.617 ( 0.000 2.193 6.983) 7.320 11.643 ( 0.000 1.419 6.366) 6.523 12.065 ( 0.000 1.783 -2.234) 2.859 12.073 ( 0.000 1.797 -3.404) 3.849 12.186 ( 0.000 1.255 1.933) 2.305 12.198 ( 0.000 0.839 3.264) 3.370 12.433 ( 0.000 1.522 -1.652) 2.246 12.440 ( 0.000 1.445 -1.384) 2.001 13.869 ( 0.000 0.377 3.453) 3.473 13.891 ( 0.000 -0.367 3.395) 3.415 13.927 ( 0.000 0.007 1.640) 1.640 13.939 ( 0.000 -0.753 1.796) 1.948 ======================= Grid point 151 (56/75) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.494 8.464 13.395) 15.853 1.427 ( -0.076 10.122 15.062) 18.147 1.915 ( 0.047 -6.024 3.272) 6.856 1.931 ( -0.642 -5.259 5.041) 7.313 2.224 ( 0.912 4.829 -7.366) 8.855 2.268 ( -1.075 2.091 -5.740) 6.203 2.297 ( 0.678 -0.307 -6.609) 6.650 2.314 ( -0.170 -1.648 -6.783) 6.983 2.783 ( 0.230 -3.827 4.371) 5.814 2.797 ( -0.327 -0.197 12.369) 12.375 2.829 ( 0.362 12.654 11.343) 16.998 2.849 ( -0.573 5.861 8.681) 10.490 2.945 ( 1.662 -6.205 -2.826) 7.018 3.045 ( -2.735 -0.466 1.274) 3.053 3.142 ( 0.972 15.035 9.380) 17.748 3.182 ( -1.162 11.190 5.973) 12.737 3.475 ( 2.886 3.535 11.384) 12.264 3.584 ( -1.980 1.562 9.915) 10.231 3.632 ( 1.288 4.185 -3.866) 5.841 3.682 ( -0.871 2.391 -2.139) 3.325 3.852 ( 0.419 2.249 -4.356) 4.920 3.875 ( -0.521 2.223 -4.353) 4.915 4.022 ( 1.142 -4.072 5.913) 7.270 4.074 ( -1.232 -1.686 -0.505) 2.148 4.102 ( 0.360 -0.157 -2.770) 2.798 4.109 ( -0.059 4.725 2.649) 5.417 4.462 ( 0.383 0.954 0.195) 1.046 4.481 ( -0.443 0.559 0.615) 0.941 4.705 ( 1.055 12.896 12.955) 18.310 4.758 ( -1.308 11.173 10.675) 15.508 4.890 ( 1.409 5.749 -0.910) 5.989 4.948 ( -1.126 5.676 0.182) 5.790 5.615 ( 0.704 -7.198 -6.011) 9.404 5.652 ( -0.879 -5.610 -3.598) 6.722 5.777 ( 0.177 2.791 4.002) 4.882 5.793 ( -0.323 0.310 2.192) 2.237 5.928 ( 0.565 -1.686 4.202) 4.563 5.949 ( -0.362 -1.876 4.968) 5.323 6.108 ( 1.245 0.742 -2.360) 2.770 6.163 ( -1.131 0.345 -2.323) 2.606 6.948 ( 0.628 -4.293 4.355) 6.148 6.980 ( -0.796 -3.999 3.457) 5.346 7.099 ( 0.373 -1.417 -2.695) 3.067 7.120 ( -0.690 -1.930 -2.467) 3.207 7.156 ( 0.719 1.789 -4.984) 5.344 7.176 ( -0.254 2.822 -5.364) 6.066 7.327 ( 0.247 -5.293 -3.183) 6.181 7.337 ( -0.204 -4.623 -3.827) 6.005 7.650 ( 0.101 -0.524 -0.007) 0.533 7.657 ( -0.184 -0.085 -0.240) 0.314 7.783 ( 0.159 -4.255 -3.531) 5.532 7.788 ( -0.094 -4.526 -3.829) 5.929 10.738 ( 0.094 0.832 3.415) 3.516 10.742 ( -0.120 0.897 3.258) 3.382 11.005 ( 0.544 0.599 5.443) 5.503 11.021 ( -0.122 0.239 4.938) 4.945 11.080 ( -0.175 1.652 -7.462) 7.645 11.082 ( -0.268 1.995 -7.284) 7.557 11.445 ( 0.173 3.614 -6.734) 7.645 11.454 ( -0.223 3.187 -7.107) 7.792 11.621 ( 0.423 2.078 6.828) 7.150 11.639 ( -0.361 1.535 6.404) 6.596 12.066 ( 0.105 1.804 -2.393) 2.999 12.071 ( -0.139 1.815 -3.218) 3.697 12.188 ( 0.192 1.181 2.129) 2.442 12.197 ( -0.170 0.887 3.071) 3.201 12.434 ( 0.103 1.513 -1.612) 2.213 12.439 ( -0.123 1.460 -1.422) 2.042 13.872 ( 0.332 0.261 3.441) 3.467 13.888 ( -0.332 -0.265 3.400) 3.426 13.928 ( 0.173 -0.097 1.672) 1.683 13.937 ( -0.218 -0.634 1.783) 1.905 ======================= Grid point 152 (57/75) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.417 9.240 14.112) 16.873 1.423 ( 0.417 9.240 14.112) 16.873 1.920 ( -0.494 -5.615 4.158) 7.005 1.920 ( 0.494 -5.615 4.158) 7.005 2.245 ( -1.291 3.583 -6.151) 7.234 2.245 ( 1.291 3.583 -6.151) 7.234 2.308 ( -0.498 -1.122 -7.036) 7.142 2.308 ( 0.498 -1.122 -7.036) 7.142 2.789 ( -0.401 -3.183 7.697) 8.339 2.789 ( 0.401 -3.183 7.697) 8.339 2.838 ( -0.571 10.537 10.642) 14.987 2.838 ( 0.571 10.537 10.642) 14.987 2.989 ( -2.966 -3.797 -1.586) 5.073 2.989 ( 2.966 -3.797 -1.586) 5.073 3.161 ( -1.104 13.804 8.649) 16.327 3.161 ( 1.104 13.804 8.649) 16.327 3.534 ( -3.220 2.141 10.558) 11.244 3.534 ( 3.220 2.141 10.558) 11.244 3.659 ( -1.496 3.259 -3.089) 4.733 3.659 ( 1.496 3.259 -3.089) 4.733 3.863 ( -0.692 2.290 -4.214) 4.846 3.863 ( 0.692 2.290 -4.214) 4.846 4.048 ( -1.550 -3.072 3.125) 4.648 4.048 ( 1.550 -3.072 3.125) 4.648 4.107 ( -0.161 2.525 -0.467) 2.573 4.107 ( 0.161 2.525 -0.467) 2.573 4.471 ( -0.580 0.817 0.341) 1.058 4.471 ( 0.580 0.817 0.341) 1.058 4.730 ( -1.599 11.963 11.744) 16.840 4.730 ( 1.599 11.963 11.744) 16.840 4.920 ( -1.742 5.708 -0.323) 5.977 4.920 ( 1.742 5.708 -0.323) 5.977 5.632 ( -1.101 -6.328 -4.707) 7.963 5.632 ( 1.101 -6.328 -4.707) 7.963 5.784 ( -0.533 1.557 3.031) 3.449 5.784 ( 0.533 1.557 3.031) 3.449 5.940 ( -0.656 -1.842 4.510) 4.915 5.940 ( 0.656 -1.842 4.510) 4.915 6.136 ( -1.674 0.548 -2.297) 2.895 6.136 ( 1.674 0.548 -2.297) 2.895 6.963 ( -0.983 -4.093 3.903) 5.740 6.963 ( 0.983 -4.093 3.903) 5.740 7.108 ( -0.584 -1.684 -2.659) 3.201 7.108 ( 0.584 -1.684 -2.659) 3.201 7.168 ( -0.545 2.249 -5.096) 5.597 7.168 ( 0.545 2.249 -5.096) 5.597 7.332 ( -0.323 -4.956 -3.504) 6.078 7.332 ( 0.323 -4.956 -3.504) 6.078 7.653 ( -0.204 -0.311 -0.119) 0.390 7.653 ( 0.204 -0.311 -0.119) 0.390 7.786 ( -0.180 -4.372 -3.677) 5.716 7.786 ( 0.180 -4.372 -3.677) 5.716 10.740 ( -0.150 0.872 3.344) 3.459 10.740 ( 0.150 0.872 3.344) 3.459 11.016 ( -0.506 0.389 5.582) 5.619 11.016 ( 0.506 0.389 5.582) 5.619 11.079 ( -0.052 1.851 -7.761) 7.979 11.079 ( 0.052 1.851 -7.761) 7.979 11.450 ( -0.283 3.420 -6.860) 7.670 11.450 ( 0.283 3.420 -6.860) 7.670 11.631 ( -0.550 1.808 6.559) 6.826 11.631 ( 0.550 1.808 6.559) 6.826 12.068 ( -0.172 1.828 -2.792) 3.342 12.068 ( 0.172 1.828 -2.792) 3.342 12.193 ( -0.256 1.021 2.601) 2.806 12.193 ( 0.256 1.021 2.601) 2.806 12.436 ( -0.158 1.490 -1.516) 2.131 12.436 ( 0.158 1.490 -1.516) 2.131 13.880 ( -0.470 -0.008 3.417) 3.450 13.880 ( 0.470 -0.008 3.417) 3.450 13.932 ( -0.275 -0.358 1.736) 1.794 13.932 ( 0.275 -0.358 1.736) 1.794 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 8.649 13.727) 16.224 1.605 ( 0.000 6.756 13.352) 14.964 1.812 ( 0.000 -4.065 3.077) 5.098 1.836 ( 0.000 -5.698 4.913) 7.524 2.253 ( 0.000 -0.760 -1.808) 1.961 2.261 ( 0.000 -2.149 4.986) 5.429 2.318 ( 0.000 0.829 -9.153) 9.191 2.319 ( 0.000 2.691 -6.724) 7.242 2.641 ( 0.000 -3.042 -2.934) 4.226 2.725 ( 0.000 -5.043 -4.163) 6.539 2.770 ( 0.000 -0.239 -10.814) 10.816 2.907 ( 0.000 -8.988 -5.997) 10.805 3.159 ( 0.000 17.421 15.759) 23.491 3.170 ( 0.000 14.653 14.366) 20.521 3.378 ( 0.000 -0.214 8.234) 8.237 3.429 ( 0.000 0.626 8.684) 8.707 3.483 ( 0.000 5.536 10.086) 11.505 3.507 ( 0.000 -2.131 11.149) 11.351 3.658 ( 0.000 -0.501 0.367) 0.621 3.680 ( 0.000 -2.663 0.941) 2.824 3.842 ( 0.000 -1.890 -1.353) 2.324 3.858 ( 0.000 -2.284 -1.229) 2.594 3.897 ( 0.000 -3.415 1.355) 3.674 3.945 ( 0.000 -6.633 -0.463) 6.649 4.262 ( 0.000 8.934 3.264) 9.512 4.285 ( 0.000 7.419 3.926) 8.394 4.477 ( 0.000 -0.132 -0.389) 0.410 4.488 ( 0.000 -0.856 0.124) 0.865 4.901 ( 0.000 9.021 -3.432) 9.651 4.933 ( 0.000 6.571 -3.686) 7.535 4.993 ( 0.000 2.445 -5.607) 6.117 5.021 ( 0.000 -1.722 -5.886) 6.133 5.522 ( 0.000 0.439 2.615) 2.652 5.583 ( 0.000 -3.021 3.500) 4.623 5.741 ( 0.000 -2.070 3.088) 3.717 5.786 ( 0.000 -3.917 1.929) 4.366 5.972 ( 0.000 5.043 7.478) 9.020 5.974 ( 0.000 4.901 6.025) 7.767 6.092 ( 0.000 -1.683 6.014) 6.245 6.128 ( 0.000 -4.827 5.586) 7.383 6.863 ( 0.000 -2.053 7.573) 7.847 6.889 ( 0.000 -4.426 7.386) 8.610 7.117 ( 0.000 2.240 -4.887) 5.376 7.128 ( 0.000 1.165 -4.624) 4.769 7.180 ( 0.000 1.163 -5.193) 5.321 7.209 ( 0.000 -0.567 -6.654) 6.678 7.236 ( 0.000 -2.330 -3.123) 3.896 7.259 ( 0.000 -3.377 -4.919) 5.967 7.653 ( 0.000 1.038 -2.092) 2.335 7.664 ( 0.000 0.482 -2.458) 2.505 7.710 ( 0.000 -2.695 -2.908) 3.965 7.715 ( 0.000 -2.800 -3.451) 4.444 10.751 ( 0.000 0.541 3.398) 3.440 10.754 ( 0.000 0.187 3.341) 3.346 11.012 ( 0.000 0.571 5.408) 5.438 11.021 ( 0.000 -0.324 5.097) 5.107 11.107 ( 0.000 0.877 -7.970) 8.018 11.111 ( 0.000 0.570 -7.860) 7.881 11.496 ( 0.000 1.577 -7.879) 8.035 11.499 ( 0.000 1.185 -8.021) 8.108 11.651 ( 0.000 1.185 6.492) 6.599 11.660 ( 0.000 0.237 6.225) 6.230 12.091 ( 0.000 0.826 -7.090) 7.138 12.094 ( 0.000 0.450 -7.765) 7.778 12.205 ( 0.000 0.639 7.058) 7.087 12.209 ( 0.000 0.218 7.837) 7.841 12.454 ( 0.000 0.674 -1.060) 1.256 12.457 ( 0.000 0.353 -0.933) 0.997 13.877 ( 0.000 0.402 3.613) 3.635 13.884 ( 0.000 -0.365 3.592) 3.610 13.927 ( 0.000 0.037 2.011) 2.012 13.930 ( 0.000 -0.300 2.113) 2.135 ======================= Grid point 156 (59/75) ======================= q-point: ( 0.25 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.439 8.245 13.478) 15.806 1.603 ( -0.219 6.979 13.319) 15.038 1.813 ( 0.186 -4.255 3.481) 5.500 1.833 ( -0.442 -5.091 4.768) 6.989 2.255 ( 0.160 -0.868 -0.518) 1.023 2.261 ( -0.036 -2.038 4.735) 5.155 2.313 ( -0.374 1.353 -9.296) 9.402 2.316 ( -0.351 0.945 -7.236) 7.306 2.653 ( 1.284 -2.099 -3.604) 4.364 2.720 ( -1.232 0.392 -4.330) 4.519 2.783 ( 2.235 -6.385 -10.382) 12.391 2.892 ( -1.779 -8.395 -7.401) 11.332 3.157 ( -0.129 17.120 15.972) 23.414 3.163 ( -0.522 15.325 15.171) 21.570 3.385 ( 0.738 -0.579 8.473) 8.524 3.421 ( -0.794 -0.047 8.731) 8.767 3.486 ( 0.350 4.658 10.366) 11.370 3.503 ( -0.357 -0.687 11.077) 11.104 3.665 ( 0.665 -0.754 0.308) 1.051 3.681 ( 0.042 -1.989 0.605) 2.080 3.845 ( 0.215 -2.015 -1.288) 2.401 3.855 ( -0.249 -2.267 -1.096) 2.530 3.905 ( 0.867 -4.014 1.142) 4.263 3.940 ( -0.578 -6.016 -0.172) 6.046 4.264 ( 0.212 8.630 3.386) 9.272 4.280 ( -0.477 7.548 3.874) 8.498 4.479 ( 0.176 -0.246 -0.341) 0.455 4.486 ( -0.145 -0.733 0.015) 0.747 4.905 ( 0.440 8.734 -3.469) 9.408 4.928 ( -0.557 7.035 -3.638) 7.939 4.998 ( 0.478 1.760 -5.652) 5.939 5.018 ( -0.385 -1.162 -5.850) 5.977 5.531 ( 0.928 0.065 2.801) 2.952 5.574 ( -0.924 -2.268 3.427) 4.212 5.747 ( 0.661 -2.461 2.912) 3.869 5.779 ( -0.693 -3.702 2.099) 4.312 5.972 ( 0.066 4.971 7.057) 8.632 5.974 ( 0.018 4.799 6.326) 7.940 6.097 ( 0.553 -2.148 5.949) 6.350 6.123 ( -0.548 -4.377 5.644) 7.163 6.867 ( 0.398 -2.370 7.531) 7.905 6.885 ( -0.395 -4.048 7.398) 8.442 7.116 ( -0.012 2.008 -4.816) 5.218 7.124 ( -0.367 1.277 -4.640) 4.827 7.187 ( 0.647 1.073 -5.310) 5.455 7.208 ( -0.207 0.152 -6.405) 6.410 7.238 ( 0.284 -2.915 -3.439) 4.517 7.255 ( -0.370 -3.383 -4.769) 5.858 7.654 ( 0.087 0.891 -2.143) 2.323 7.662 ( -0.245 0.534 -2.406) 2.477 7.712 ( 0.155 -2.693 -2.993) 4.030 7.716 ( 0.020 -2.695 -3.351) 4.300 10.751 ( 0.052 0.492 3.392) 3.428 10.754 ( -0.060 0.243 3.353) 3.362 11.015 ( 0.302 0.424 5.563) 5.587 11.021 ( 0.037 -0.206 5.375) 5.379 11.106 ( -0.132 0.831 -8.179) 8.222 11.108 ( -0.236 0.641 -8.065) 8.093 11.496 ( 0.045 1.518 -7.849) 7.995 11.499 ( -0.054 1.255 -7.977) 8.075 11.652 ( 0.170 1.043 6.404) 6.491 11.659 ( -0.110 0.376 6.211) 6.223 12.091 ( 0.066 0.779 -7.210) 7.252 12.094 ( -0.050 0.514 -7.690) 7.707 12.206 ( 0.054 0.569 7.204) 7.226 12.208 ( -0.070 0.274 7.751) 7.757 12.454 ( 0.041 0.626 -1.041) 1.215 12.457 ( -0.057 0.401 -0.952) 1.035 13.878 ( 0.104 0.288 3.609) 3.622 13.883 ( -0.117 -0.254 3.594) 3.605 13.927 ( 0.028 -0.011 2.030) 2.030 13.929 ( -0.057 -0.248 2.102) 2.117 ======================= Grid point 157 (60/75) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.524 7.510 13.241) 15.232 1.596 ( 0.524 7.510 13.241) 15.232 1.821 ( -0.662 -4.453 4.268) 6.203 1.821 ( 0.662 -4.453 4.268) 6.203 2.259 ( -0.211 -1.403 2.678) 3.030 2.259 ( 0.211 -1.403 2.678) 3.030 2.310 ( -0.140 0.517 -8.649) 8.666 2.310 ( 0.140 0.517 -8.649) 8.666 2.686 ( -2.117 0.020 -4.605) 5.068 2.686 ( 2.117 0.020 -4.605) 5.068 2.842 ( -3.463 -7.863 -9.114) 12.525 2.842 ( 3.463 -7.863 -9.114) 12.525 3.157 ( -0.131 16.386 16.062) 22.946 3.157 ( 0.131 16.386 16.062) 22.946 3.403 ( -1.112 -0.794 8.722) 8.828 3.403 ( 1.112 -0.794 8.722) 8.828 3.495 ( -0.510 2.250 10.821) 11.064 3.495 ( 0.510 2.250 10.821) 11.064 3.677 ( -0.528 -1.183 0.275) 1.324 3.677 ( 0.528 -1.183 0.275) 1.324 3.850 ( -0.319 -2.242 -1.108) 2.521 3.850 ( 0.319 -2.242 -1.108) 2.521 3.924 ( -1.078 -4.947 0.530) 5.090 3.924 ( 1.078 -4.947 0.530) 5.090 4.271 ( -0.495 7.999 3.665) 8.813 4.271 ( 0.495 7.999 3.665) 8.813 4.483 ( -0.235 -0.484 -0.193) 0.572 4.483 ( 0.235 -0.484 -0.193) 0.572 4.916 ( -0.692 7.966 -3.549) 8.748 4.916 ( 0.692 7.966 -3.549) 8.748 5.008 ( -0.609 0.243 -5.756) 5.793 5.008 ( 0.609 0.243 -5.756) 5.793 5.552 ( -1.317 -0.925 3.171) 3.556 5.552 ( 1.317 -0.925 3.171) 3.556 5.763 ( -0.967 -3.157 2.502) 4.143 5.763 ( 0.967 -3.157 2.502) 4.143 5.974 ( -0.063 4.801 6.632) 8.188 5.974 ( 0.063 4.801 6.632) 8.188 6.110 ( -0.787 -3.272 5.793) 6.699 6.110 ( 0.787 -3.272 5.793) 6.699 6.876 ( -0.564 -3.179 7.449) 8.119 6.876 ( 0.564 -3.179 7.449) 8.119 7.118 ( -0.210 1.583 -4.702) 4.965 7.118 ( 0.210 1.583 -4.702) 4.965 7.200 ( -0.634 0.839 -5.721) 5.817 7.200 ( 0.634 0.839 -5.721) 5.817 7.246 ( -0.537 -3.357 -4.257) 5.448 7.246 ( 0.537 -3.357 -4.257) 5.448 7.657 ( -0.242 0.664 -2.273) 2.380 7.657 ( 0.242 0.664 -2.273) 2.380 7.715 ( -0.126 -2.641 -3.166) 4.125 7.715 ( 0.126 -2.641 -3.166) 4.125 10.753 ( -0.079 0.371 3.376) 3.397 10.753 ( 0.079 0.371 3.376) 3.397 11.020 ( -0.199 0.093 5.718) 5.722 11.020 ( 0.199 0.093 5.718) 5.722 11.105 ( -0.091 0.751 -8.361) 8.395 11.105 ( 0.091 0.751 -8.361) 8.395 11.498 ( -0.083 1.391 -7.876) 7.998 11.498 ( 0.083 1.391 -7.876) 7.998 11.656 ( -0.200 0.709 6.256) 6.299 11.656 ( 0.200 0.709 6.256) 6.299 12.093 ( -0.083 0.655 -7.472) 7.501 12.093 ( 0.083 0.655 -7.472) 7.501 12.207 ( -0.088 0.414 7.507) 7.519 12.207 ( 0.088 0.414 7.507) 7.519 12.455 ( -0.070 0.514 -0.996) 1.123 12.455 ( 0.070 0.514 -0.996) 1.123 13.880 ( -0.156 0.016 3.601) 3.605 13.880 ( 0.156 0.016 3.601) 3.605 13.928 ( -0.060 -0.127 2.069) 2.074 13.928 ( 0.060 -0.127 2.069) 2.074 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 0.000 22.304) 22.304 1.504 ( 0.000 0.000 15.857) 15.857 1.808 ( 0.000 0.000 -15.013) 15.013 1.887 ( 0.000 0.000 -18.095) 18.095 2.244 ( 0.000 0.000 0.316) 0.316 2.248 ( 0.000 0.000 -0.733) 0.733 2.256 ( 0.000 0.000 -0.077) 0.077 2.259 ( 0.000 0.000 0.554) 0.554 2.405 ( 0.000 0.000 24.025) 24.025 2.417 ( 0.000 0.000 18.811) 18.811 2.593 ( 0.000 0.000 19.664) 19.664 2.612 ( 0.000 0.000 21.342) 21.342 2.755 ( 0.000 0.000 -14.547) 14.547 2.837 ( 0.000 0.000 -19.250) 19.250 2.932 ( 0.000 0.000 -13.593) 13.593 2.990 ( 0.000 0.000 -16.999) 16.999 3.470 ( 0.000 0.000 2.500) 2.500 3.540 ( 0.000 0.000 2.826) 2.826 3.547 ( 0.000 0.000 -5.717) 5.717 3.606 ( 0.000 0.000 -3.685) 3.685 3.868 ( 0.000 0.000 9.554) 9.554 3.937 ( 0.000 0.000 8.089) 8.089 4.067 ( 0.000 0.000 -11.087) 11.087 4.097 ( 0.000 0.000 -0.848) 0.848 4.108 ( 0.000 0.000 20.026) 20.026 4.126 ( 0.000 0.000 11.498) 11.498 4.391 ( 0.000 0.000 -9.261) 9.261 4.397 ( 0.000 0.000 -10.255) 10.255 4.711 ( 0.000 0.000 22.974) 22.974 4.712 ( 0.000 0.000 23.376) 23.376 4.998 ( 0.000 0.000 -4.309) 4.309 5.004 ( 0.000 0.000 -3.853) 3.853 5.769 ( 0.000 0.000 -4.857) 4.857 5.777 ( 0.000 0.000 8.019) 8.019 5.804 ( 0.000 0.000 -6.883) 6.883 5.814 ( 0.000 0.000 -3.335) 3.335 5.851 ( 0.000 0.000 -2.485) 2.485 5.863 ( 0.000 0.000 -0.294) 0.294 5.943 ( 0.000 0.000 -7.733) 7.733 5.946 ( 0.000 0.000 -4.565) 4.565 6.881 ( 0.000 0.000 -2.222) 2.222 6.885 ( 0.000 0.000 -3.113) 3.113 6.893 ( 0.000 0.000 -3.156) 3.156 6.905 ( 0.000 0.000 -4.034) 4.034 7.423 ( 0.000 0.000 1.382) 1.382 7.436 ( 0.000 0.000 -0.291) 0.291 7.466 ( 0.000 0.000 1.066) 1.066 7.472 ( 0.000 0.000 0.163) 0.163 7.748 ( 0.000 0.000 4.320) 4.320 7.786 ( 0.000 0.000 4.461) 4.461 7.836 ( 0.000 0.000 -4.925) 4.925 7.874 ( 0.000 0.000 -4.851) 4.851 10.765 ( 0.000 0.000 4.507) 4.507 10.810 ( 0.000 0.000 3.945) 3.945 10.863 ( 0.000 0.000 -5.693) 5.693 10.901 ( 0.000 0.000 -5.477) 5.477 11.087 ( 0.000 0.000 5.222) 5.222 11.090 ( 0.000 0.000 5.861) 5.861 11.184 ( 0.000 0.000 -4.758) 4.758 11.196 ( 0.000 0.000 -5.122) 5.122 11.717 ( 0.000 0.000 10.485) 10.485 11.756 ( 0.000 0.000 9.828) 9.828 11.922 ( 0.000 0.000 -10.926) 10.926 11.954 ( 0.000 0.000 -10.735) 10.735 12.137 ( 0.000 0.000 7.866) 7.866 12.153 ( 0.000 0.000 7.564) 7.564 12.262 ( 0.000 0.000 -5.304) 5.304 12.274 ( 0.000 0.000 -5.150) 5.150 13.906 ( 0.000 0.000 1.926) 1.926 13.929 ( 0.000 0.000 -0.419) 0.419 13.954 ( 0.000 0.000 2.031) 2.031 13.980 ( 0.000 0.000 -0.730) 0.730 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.421 0.000 21.185) 21.189 1.504 ( 0.010 0.000 16.683) 16.683 1.819 ( 1.210 0.000 -15.360) 15.408 1.875 ( -1.194 0.000 -17.519) 17.560 2.246 ( 0.223 0.000 0.236) 0.325 2.247 ( -0.065 0.000 -0.427) 0.432 2.254 ( -0.228 0.000 -0.164) 0.281 2.257 ( -0.204 0.000 0.476) 0.517 2.408 ( 0.271 0.000 23.368) 23.369 2.417 ( -0.089 0.000 19.684) 19.684 2.593 ( 0.118 0.000 19.780) 19.781 2.608 ( -0.420 0.000 20.811) 20.815 2.763 ( 0.959 0.000 -14.746) 14.777 2.820 ( -1.601 0.000 -17.505) 17.578 2.943 ( 1.049 0.000 -15.159) 15.195 2.983 ( -0.745 0.000 -17.043) 17.060 3.476 ( 0.640 0.000 2.716) 2.791 3.524 ( -1.516 0.000 3.070) 3.424 3.555 ( 0.796 0.000 -5.553) 5.610 3.596 ( -0.943 0.000 -4.157) 4.263 3.887 ( 1.698 0.000 9.141) 9.298 3.933 ( -0.434 0.000 8.191) 8.203 4.076 ( 0.842 0.000 -9.991) 10.026 4.097 ( -0.093 0.000 -1.558) 1.561 4.109 ( 0.114 0.000 19.633) 19.633 4.123 ( -0.349 0.000 11.850) 11.855 4.390 ( -0.016 0.000 -9.406) 9.406 4.395 ( -0.209 0.000 -10.102) 10.105 4.711 ( 0.011 0.000 23.212) 23.212 4.712 ( 0.005 0.000 23.158) 23.158 4.999 ( 0.075 0.000 -4.229) 4.229 5.003 ( -0.101 0.000 -3.904) 3.905 5.774 ( 0.595 0.000 -4.758) 4.795 5.778 ( 0.145 0.000 5.907) 5.909 5.796 ( -0.685 0.000 -3.712) 3.775 5.806 ( -0.786 0.000 -3.731) 3.813 5.855 ( 0.371 0.000 -2.912) 2.935 5.863 ( 0.029 0.000 -0.958) 0.959 5.944 ( 0.107 0.000 -7.073) 7.073 5.946 ( -0.002 0.000 -4.981) 4.981 6.881 ( 0.068 0.000 -2.362) 2.363 6.884 ( -0.068 0.000 -2.988) 2.988 6.895 ( 0.162 0.000 -3.267) 3.271 6.903 ( -0.201 0.000 -3.886) 3.892 7.429 ( 0.645 0.000 1.324) 1.473 7.441 ( 0.527 0.000 -0.222) 0.572 7.459 ( -0.664 0.000 1.100) 1.285 7.466 ( -0.568 0.000 0.099) 0.577 7.754 ( 0.591 0.000 4.342) 4.382 7.780 ( -0.539 0.000 4.443) 4.475 7.842 ( 0.604 0.000 -4.909) 4.946 7.869 ( -0.554 0.000 -4.859) 4.890 10.770 ( 0.603 0.000 4.457) 4.498 10.803 ( -0.786 0.000 4.064) 4.139 10.868 ( 0.521 0.000 -5.668) 5.691 10.895 ( -0.647 0.000 -5.515) 5.553 11.088 ( 0.079 0.000 5.358) 5.358 11.090 ( -0.009 0.000 5.755) 5.755 11.186 ( 0.247 0.000 -4.819) 4.825 11.195 ( -0.143 0.000 -5.074) 5.076 11.723 ( 0.583 0.000 10.419) 10.435 11.750 ( -0.597 0.000 9.961) 9.979 11.927 ( 0.499 0.000 -10.908) 10.919 11.949 ( -0.452 0.000 -10.774) 10.783 12.139 ( 0.230 0.000 7.818) 7.822 12.151 ( -0.252 0.000 7.604) 7.608 12.263 ( 0.161 0.000 -5.281) 5.283 12.272 ( -0.191 0.000 -5.174) 5.177 13.913 ( 0.714 0.000 1.937) 2.064 13.936 ( 0.763 0.000 -0.459) 0.891 13.947 ( -0.714 0.000 2.011) 2.134 13.973 ( -0.780 0.000 -0.679) 1.034 ======================= Grid point 182 (63/75) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.309 0.000 18.786) 18.789 1.502 ( 0.309 0.000 18.786) 18.789 1.847 ( -1.700 0.000 -16.327) 16.415 1.847 ( 1.700 0.000 -16.327) 16.415 2.249 ( -0.279 0.000 -0.185) 0.335 2.249 ( 0.279 0.000 -0.185) 0.335 2.252 ( -0.328 0.000 0.279) 0.431 2.252 ( 0.328 0.000 0.279) 0.431 2.413 ( -0.269 0.000 21.641) 21.643 2.413 ( 0.269 0.000 21.641) 21.643 2.599 ( -0.460 0.000 20.079) 20.085 2.599 ( 0.460 0.000 20.079) 20.085 2.788 ( -1.686 0.000 -15.579) 15.670 2.788 ( 1.686 0.000 -15.579) 15.670 2.965 ( -1.152 0.000 -16.682) 16.722 2.965 ( 1.152 0.000 -16.682) 16.722 3.495 ( -1.447 0.000 3.097) 3.418 3.495 ( 1.447 0.000 3.097) 3.418 3.575 ( -1.281 0.000 -5.003) 5.164 3.575 ( 1.281 0.000 -5.003) 5.164 3.917 ( -1.369 0.000 8.540) 8.649 3.917 ( 1.369 0.000 8.540) 8.649 4.091 ( -0.599 0.000 -5.465) 5.497 4.091 ( 0.599 0.000 -5.465) 5.497 4.114 ( -0.477 0.000 15.598) 15.606 4.114 ( 0.477 0.000 15.598) 15.606 4.391 ( -0.152 0.000 -9.751) 9.752 4.391 ( 0.152 0.000 -9.751) 9.752 4.712 ( -0.044 0.000 23.195) 23.195 4.712 ( 0.044 0.000 23.195) 23.195 5.001 ( -0.124 0.000 -4.051) 4.053 5.001 ( 0.124 0.000 -4.051) 4.053 5.784 ( -0.561 0.000 1.400) 1.508 5.784 ( 0.561 0.000 1.400) 1.508 5.789 ( -0.965 0.000 -4.383) 4.488 5.789 ( 0.965 0.000 -4.383) 4.488 5.862 ( -0.250 0.000 -2.254) 2.268 5.862 ( 0.250 0.000 -2.254) 2.268 5.946 ( -0.070 0.000 -5.915) 5.916 5.946 ( 0.070 0.000 -5.915) 5.916 6.883 ( -0.098 0.000 -2.682) 2.684 6.883 ( 0.098 0.000 -2.682) 2.684 6.899 ( -0.257 0.000 -3.559) 3.568 6.899 ( 0.257 0.000 -3.559) 3.568 7.444 ( -0.921 0.000 1.201) 1.514 7.444 ( 0.921 0.000 1.201) 1.514 7.453 ( -0.770 0.000 -0.059) 0.772 7.453 ( 0.770 0.000 -0.059) 0.772 7.768 ( -0.795 0.000 4.394) 4.466 7.768 ( 0.795 0.000 4.394) 4.466 7.856 ( -0.816 0.000 -4.880) 4.948 7.856 ( 0.816 0.000 -4.880) 4.948 10.785 ( -0.971 0.000 4.294) 4.403 10.785 ( 0.971 0.000 4.294) 4.403 10.880 ( -0.817 0.000 -5.598) 5.657 10.880 ( 0.817 0.000 -5.598) 5.657 11.089 ( -0.070 0.000 5.572) 5.572 11.089 ( 0.070 0.000 5.572) 5.572 11.191 ( -0.268 0.000 -4.953) 4.960 11.191 ( 0.268 0.000 -4.953) 4.960 11.736 ( -0.830 0.000 10.223) 10.256 11.736 ( 0.830 0.000 10.223) 10.256 11.938 ( -0.674 0.000 -10.851) 10.872 11.938 ( 0.674 0.000 -10.851) 10.872 12.145 ( -0.342 0.000 7.708) 7.715 12.145 ( 0.342 0.000 7.708) 7.715 12.267 ( -0.251 0.000 -5.227) 5.233 12.267 ( 0.251 0.000 -5.227) 5.233 13.930 ( -1.009 0.000 1.969) 2.213 13.930 ( 1.009 0.000 1.969) 2.213 13.954 ( -1.091 0.000 -0.563) 1.228 13.954 ( 1.091 0.000 -0.563) 1.228 ======================= Grid point 185 (64/75) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 1.288 15.794) 15.847 1.517 ( 0.000 2.985 21.775) 21.978 1.819 ( 0.000 1.239 -15.387) 15.437 1.908 ( 0.000 2.143 -18.057) 18.184 2.204 ( 0.000 -3.440 1.651) 3.816 2.221 ( 0.000 -2.977 2.111) 3.650 2.249 ( 0.000 -1.290 -3.080) 3.339 2.272 ( 0.000 -0.391 -3.338) 3.361 2.539 ( 0.000 11.843 17.389) 21.039 2.545 ( 0.000 13.675 22.770) 26.561 2.656 ( 0.000 7.108 18.764) 20.065 2.712 ( 0.000 10.217 19.600) 22.103 2.833 ( 0.000 7.111 -11.668) 13.664 2.938 ( 0.000 9.581 -16.569) 19.139 2.986 ( 0.000 5.611 -12.905) 14.072 3.058 ( 0.000 6.527 -15.223) 16.564 3.459 ( 0.000 -0.484 3.641) 3.673 3.521 ( 0.000 -1.503 1.922) 2.439 3.537 ( 0.000 -2.106 -4.612) 5.070 3.567 ( 0.000 -4.201 -2.817) 5.058 3.799 ( 0.000 -5.022 9.272) 10.545 3.881 ( 0.000 -4.372 8.508) 9.565 4.003 ( 0.000 -6.150 -11.929) 13.421 4.054 ( 0.000 -4.878 -10.013) 11.138 4.170 ( 0.000 4.941 15.999) 16.745 4.176 ( 0.000 4.978 16.059) 16.813 4.404 ( 0.000 1.347 -7.642) 7.760 4.412 ( 0.000 1.403 -8.491) 8.606 4.745 ( 0.000 3.428 22.126) 22.390 4.762 ( 0.000 5.044 20.999) 21.596 4.982 ( 0.000 -2.282 -1.078) 2.524 4.994 ( 0.000 -0.532 -1.762) 1.841 5.738 ( 0.000 -4.819 -5.911) 7.626 5.771 ( 0.000 0.398 -8.743) 8.752 5.796 ( 0.000 -3.876 -3.564) 5.266 5.816 ( 0.000 3.200 9.103) 9.649 5.825 ( 0.000 0.041 -5.678) 5.678 5.882 ( 0.000 2.548 2.784) 3.774 5.966 ( 0.000 0.888 -4.435) 4.523 5.967 ( 0.000 1.518 -6.532) 6.706 6.897 ( 0.000 1.141 -2.265) 2.536 6.907 ( 0.000 2.408 -2.392) 3.394 6.914 ( 0.000 2.199 -3.906) 4.483 6.925 ( 0.000 2.164 -3.695) 4.282 7.379 ( 0.000 -4.056 2.768) 4.911 7.420 ( 0.000 -2.150 -1.681) 2.729 7.423 ( 0.000 -3.934 2.285) 4.550 7.453 ( 0.000 -2.475 -1.034) 2.682 7.740 ( 0.000 -0.925 4.049) 4.153 7.770 ( 0.000 -1.650 4.200) 4.512 7.823 ( 0.000 -1.447 -4.661) 4.880 7.854 ( 0.000 -2.092 -4.657) 5.105 10.775 ( 0.000 1.020 4.659) 4.769 10.806 ( 0.000 -0.272 4.407) 4.415 10.876 ( 0.000 1.329 -5.871) 6.019 10.904 ( 0.000 0.331 -5.754) 5.763 11.099 ( 0.000 1.140 5.532) 5.648 11.100 ( 0.000 0.927 6.251) 6.320 11.203 ( 0.000 1.937 -5.274) 5.618 11.217 ( 0.000 1.930 -5.851) 6.161 11.722 ( 0.000 0.508 10.118) 10.130 11.755 ( 0.000 0.017 9.392) 9.392 11.919 ( 0.000 -0.225 -10.349) 10.351 11.941 ( 0.000 -0.918 -9.664) 9.708 12.175 ( 0.000 3.415 6.761) 7.574 12.178 ( 0.000 2.381 7.029) 7.422 12.288 ( 0.000 2.507 -4.893) 5.498 12.292 ( 0.000 1.809 -4.894) 5.218 13.908 ( 0.000 0.204 1.958) 1.969 13.931 ( 0.000 0.196 -0.386) 0.433 13.952 ( 0.000 -0.183 1.993) 2.001 13.976 ( 0.000 -0.368 -0.574) 0.682 ======================= Grid point 186 (65/75) ======================= q-point: ( 0.25 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.211 1.634 17.022) 17.101 1.519 ( 0.142 2.552 20.270) 20.431 1.832 ( 1.304 1.318 -15.654) 15.763 1.894 ( -1.385 1.948 -17.512) 17.674 2.205 ( 0.182 -3.315 1.713) 3.736 2.218 ( -0.345 -3.000 2.095) 3.675 2.251 ( 0.294 -1.135 -3.068) 3.284 2.268 ( -0.369 -0.503 -3.326) 3.384 2.541 ( 0.194 12.079 18.241) 21.878 2.545 ( 0.006 13.314 21.906) 25.635 2.662 ( 0.708 7.600 18.718) 20.215 2.702 ( -0.986 9.759 19.200) 21.560 2.843 ( 1.093 7.249 -11.737) 13.838 2.911 ( -2.178 8.366 -14.148) 16.580 3.007 ( 1.524 6.629 -14.867) 16.349 3.051 ( -0.708 6.665 -15.469) 16.859 3.461 ( 0.334 -0.966 3.762) 3.899 3.501 ( -1.548 -2.056 2.693) 3.725 3.546 ( 0.612 -1.464 -4.898) 5.148 3.565 ( -0.268 -3.487 -3.598) 5.018 3.818 ( 1.815 -5.087 9.173) 10.645 3.875 ( -0.752 -4.594 8.646) 9.820 4.014 ( 1.044 -6.019 -11.316) 12.860 4.050 ( -0.504 -5.123 -10.047) 11.289 4.170 ( 0.059 4.972 15.878) 16.638 4.175 ( -0.109 4.997 15.900) 16.667 4.404 ( 0.004 1.363 -7.756) 7.875 4.410 ( -0.221 1.403 -8.331) 8.451 4.748 ( 0.255 3.661 21.969) 22.274 4.759 ( -0.243 4.797 21.156) 21.695 4.984 ( 0.180 -2.012 -1.190) 2.345 4.992 ( -0.169 -0.772 -1.678) 1.854 5.742 ( 0.454 -4.479 -5.191) 6.871 5.777 ( -0.823 -2.140 -2.654) 3.507 5.779 ( 0.268 -0.120 -7.612) 7.617 5.814 ( -0.695 0.932 -4.173) 4.332 5.836 ( 1.150 1.047 4.024) 4.314 5.874 ( -0.772 2.209 3.501) 4.211 5.967 ( 0.125 1.024 -4.727) 4.838 5.969 ( 0.091 1.460 -6.178) 6.349 6.899 ( 0.160 1.294 -2.298) 2.642 6.905 ( -0.131 2.183 -2.417) 3.260 6.915 ( 0.122 2.243 -3.830) 4.440 6.923 ( -0.192 2.185 -3.683) 4.287 7.385 ( 0.674 -4.023 2.685) 4.884 7.416 ( -0.671 -3.937 2.345) 4.631 7.424 ( 0.499 -2.185 -1.585) 2.745 7.448 ( -0.513 -2.414 -1.129) 2.714 7.744 ( 0.470 -1.043 4.076) 4.234 7.765 ( -0.440 -1.556 4.182) 4.484 7.827 ( 0.498 -1.548 -4.658) 4.934 7.850 ( -0.462 -2.003 -4.657) 5.090 10.779 ( 0.418 0.862 4.642) 4.740 10.801 ( -0.525 -0.046 4.465) 4.496 10.880 ( 0.387 1.210 -5.866) 6.002 10.899 ( -0.449 0.509 -5.787) 5.827 11.099 ( 0.029 1.087 5.687) 5.790 11.100 ( -0.010 0.935 6.131) 6.202 11.206 ( 0.229 1.908 -5.354) 5.689 11.215 ( -0.191 1.905 -5.761) 6.071 11.727 ( 0.508 0.443 10.031) 10.054 11.750 ( -0.501 0.097 9.522) 9.535 11.923 ( 0.358 -0.332 -10.265) 10.277 11.938 ( -0.302 -0.824 -9.781) 9.820 12.175 ( 0.021 3.266 6.809) 7.552 12.177 ( -0.060 2.534 6.999) 7.444 12.289 ( 0.038 2.405 -4.891) 5.451 12.291 ( -0.072 1.912 -4.894) 5.255 13.915 ( 0.657 0.147 1.957) 2.069 13.938 ( 0.674 0.111 -0.404) 0.794 13.945 ( -0.655 -0.126 1.981) 2.090 13.970 ( -0.697 -0.288 -0.538) 0.926 ======================= Grid point 187 (66/75) ======================= q-point: (-0.50 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.092 2.050 18.509) 18.622 1.520 ( 0.092 2.050 18.509) 18.622 1.862 ( -1.895 1.573 -16.449) 16.632 1.862 ( 1.895 1.573 -16.449) 16.632 2.210 ( -0.369 -3.112 1.952) 3.692 2.210 ( 0.369 -3.112 1.952) 3.692 2.259 ( -0.555 -0.791 -3.205) 3.347 2.259 ( 0.555 -0.791 -3.205) 3.347 2.544 ( -0.143 12.630 20.075) 23.718 2.544 ( 0.143 12.630 20.075) 23.718 2.681 ( -1.229 8.702 18.739) 20.697 2.681 ( 1.229 8.702 18.739) 20.697 2.872 ( -1.982 7.635 -12.379) 14.679 2.872 ( 1.982 7.635 -12.379) 14.679 3.033 ( -1.260 6.856 -15.669) 17.149 3.033 ( 1.260 6.856 -15.669) 17.149 3.475 ( -1.167 -1.720 3.700) 4.244 3.475 ( 1.167 -1.720 3.700) 4.244 3.557 ( -0.548 -2.122 -4.808) 5.284 3.557 ( 0.548 -2.122 -4.808) 5.284 3.852 ( -1.684 -4.969 8.939) 10.364 3.852 ( 1.684 -4.969 8.939) 10.364 4.035 ( -1.107 -5.629 -10.393) 11.871 4.035 ( 1.107 -5.629 -10.393) 11.871 4.172 ( -0.146 5.010 15.740) 16.519 4.172 ( 0.146 5.010 15.740) 16.519 4.406 ( -0.177 1.392 -8.022) 8.144 4.406 ( 0.177 1.392 -8.022) 8.144 4.754 ( -0.360 4.221 21.564) 21.976 4.754 ( 0.360 4.221 21.564) 21.976 4.988 ( -0.252 -1.376 -1.448) 2.014 4.988 ( 0.252 -1.376 -1.448) 2.014 5.756 ( -0.974 -3.595 -3.379) 5.030 5.756 ( 0.974 -3.595 -3.379) 5.030 5.797 ( -1.094 0.771 -7.254) 7.377 5.797 ( 1.094 0.771 -7.254) 7.377 5.857 ( -1.060 1.532 4.546) 4.913 5.857 ( 1.060 1.532 4.546) 4.913 5.969 ( -0.058 1.277 -5.434) 5.582 5.969 ( 0.058 1.277 -5.434) 5.582 6.902 ( -0.210 1.706 -2.380) 2.936 6.902 ( 0.210 1.706 -2.380) 2.936 6.919 ( -0.215 2.242 -3.719) 4.348 6.919 ( 0.215 2.242 -3.719) 4.348 7.401 ( -0.947 -3.965 2.504) 4.784 7.401 ( 0.947 -3.965 2.504) 4.784 7.436 ( -0.714 -2.287 -1.357) 2.753 7.436 ( 0.714 -2.287 -1.357) 2.753 7.755 ( -0.640 -1.311 4.134) 4.384 7.755 ( 0.640 -1.311 4.134) 4.384 7.839 ( -0.677 -1.782 -4.656) 5.031 7.839 ( 0.677 -1.782 -4.656) 5.031 10.789 ( -0.663 0.442 4.574) 4.642 10.789 ( 0.663 0.442 4.574) 4.642 10.889 ( -0.589 0.889 -5.840) 5.936 10.889 ( 0.589 0.889 -5.840) 5.936 11.100 ( -0.027 0.989 5.927) 6.009 11.100 ( 0.027 0.989 5.927) 6.009 11.211 ( -0.289 1.880 -5.553) 5.870 11.211 ( 0.289 1.880 -5.553) 5.870 11.738 ( -0.710 0.277 9.798) 9.828 11.738 ( 0.710 0.277 9.798) 9.828 11.931 ( -0.467 -0.584 -10.040) 10.067 11.931 ( 0.467 -0.584 -10.040) 10.067 12.176 ( -0.057 2.902 6.914) 7.498 12.176 ( 0.057 2.902 6.914) 7.498 12.290 ( -0.081 2.158 -4.892) 5.348 12.290 ( 0.081 2.158 -4.892) 5.348 13.930 ( -0.927 0.011 1.962) 2.170 13.930 ( 0.927 0.011 1.962) 2.170 13.953 ( -0.970 -0.091 -0.463) 1.078 13.953 ( 0.970 -0.091 -0.463) 1.078 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 3.919 15.385) 15.876 1.604 ( 0.000 5.908 19.735) 20.600 1.859 ( 0.000 3.006 -15.176) 15.471 1.963 ( 0.000 3.146 -16.948) 17.237 2.120 ( 0.000 -4.747 3.460) 5.874 2.150 ( 0.000 -3.584 4.427) 5.696 2.202 ( 0.000 -3.095 -5.105) 5.970 2.243 ( 0.000 -1.837 -5.236) 5.549 2.787 ( 0.000 8.875 7.061) 11.341 2.838 ( 0.000 10.588 13.094) 16.839 2.866 ( 0.000 17.640 18.346) 25.451 2.935 ( 0.000 9.508 12.430) 15.650 2.952 ( 0.000 4.472 -1.303) 4.658 3.102 ( 0.000 3.091 -7.145) 7.785 3.136 ( 0.000 9.406 -5.396) 10.843 3.208 ( 0.000 8.760 -6.088) 10.668 3.460 ( 0.000 -2.708 2.252) 3.522 3.464 ( 0.000 -2.210 -2.166) 3.095 3.490 ( 0.000 4.150 2.118) 4.660 3.540 ( 0.000 4.519 -3.670) 5.821 3.754 ( 0.000 0.509 -0.014) 0.509 3.818 ( 0.000 -1.867 4.149) 4.550 3.872 ( 0.000 -6.187 -12.369) 13.830 3.946 ( 0.000 -5.484 -9.876) 11.296 4.254 ( 0.000 3.386 13.020) 13.454 4.272 ( 0.000 4.295 11.996) 12.742 4.435 ( 0.000 1.540 -4.710) 4.955 4.444 ( 0.000 1.637 -5.989) 6.208 4.831 ( 0.000 4.757 15.334) 16.055 4.877 ( 0.000 5.597 13.816) 14.906 4.921 ( 0.000 -3.724 2.962) 4.758 4.977 ( 0.000 -1.113 1.911) 2.211 5.642 ( 0.000 -4.313 -0.373) 4.329 5.717 ( 0.000 -3.448 0.944) 3.575 5.785 ( 0.000 0.550 -7.891) 7.910 5.827 ( 0.000 -0.280 -3.161) 3.174 5.908 ( 0.000 6.403 2.167) 6.760 5.960 ( 0.000 4.153 -4.576) 6.180 5.975 ( 0.000 2.103 -0.862) 2.273 5.989 ( 0.000 1.165 -2.735) 2.973 6.926 ( 0.000 1.853 -0.673) 1.971 6.955 ( 0.000 2.571 -0.989) 2.755 6.970 ( 0.000 3.368 -4.981) 6.013 6.990 ( 0.000 4.210 -4.419) 6.103 7.276 ( 0.000 -6.523 4.549) 7.953 7.321 ( 0.000 -6.628 3.659) 7.571 7.353 ( 0.000 -4.708 -3.608) 5.932 7.377 ( 0.000 -5.361 -2.446) 5.892 7.713 ( 0.000 -1.839 3.164) 3.659 7.725 ( 0.000 -2.895 3.344) 4.423 7.781 ( 0.000 -2.860 -3.931) 4.862 7.797 ( 0.000 -3.783 -4.130) 5.601 10.800 ( 0.000 1.445 4.977) 5.183 10.807 ( 0.000 0.418 5.022) 5.040 10.908 ( 0.000 1.852 -6.292) 6.559 10.915 ( 0.000 0.895 -6.287) 6.351 11.121 ( 0.000 1.117 7.119) 7.206 11.126 ( 0.000 1.492 6.338) 6.511 11.250 ( 0.000 2.752 -6.540) 7.096 11.260 ( 0.000 2.363 -7.285) 7.659 11.737 ( 0.000 1.138 9.220) 9.290 11.761 ( 0.000 0.690 8.518) 8.546 11.918 ( 0.000 0.196 -9.471) 9.473 11.930 ( 0.000 -0.125 -8.858) 8.859 12.234 ( 0.000 3.264 6.304) 7.099 12.248 ( 0.000 3.787 5.984) 7.082 12.336 ( 0.000 2.612 -4.279) 5.013 12.345 ( 0.000 3.091 -4.074) 5.114 13.914 ( 0.000 0.397 2.021) 2.060 13.936 ( 0.000 0.333 -0.264) 0.425 13.947 ( 0.000 -0.245 1.920) 1.935 13.968 ( 0.000 -0.483 -0.198) 0.522 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.25 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.731 4.154 15.888) 16.438 1.599 ( -0.549 5.562 18.965) 19.772 1.872 ( 1.401 2.935 -15.217) 15.560 1.945 ( -1.778 2.954 -16.290) 16.651 2.126 ( 0.553 -4.372 3.350) 5.535 2.146 ( -0.377 -3.642 4.207) 5.577 2.208 ( 0.645 -2.848 -5.117) 5.891 2.238 ( -0.579 -2.021 -5.238) 5.645 2.798 ( 1.063 9.774 7.980) 12.663 2.833 ( -0.455 12.412 13.687) 18.482 2.870 ( 0.413 14.774 16.786) 22.365 2.912 ( -1.778 7.728 8.930) 11.943 2.971 ( 1.537 5.747 0.978) 6.028 3.060 ( -3.004 4.632 -5.177) 7.568 3.166 ( 1.786 8.042 -5.869) 10.115 3.204 ( -0.460 8.551 -5.707) 10.290 3.452 ( -0.592 0.209 -0.587) 0.859 3.455 ( -0.401 -1.333 1.541) 2.076 3.512 ( 1.478 2.233 -0.675) 2.761 3.540 ( -0.121 3.733 -3.681) 5.244 3.765 ( 1.130 -0.096 1.115) 1.590 3.810 ( -0.814 -1.748 3.789) 4.252 3.886 ( 1.302 -6.087 -11.580) 13.147 3.938 ( -0.935 -5.637 -9.956) 11.479 4.257 ( 0.266 3.531 12.766) 13.248 4.270 ( -0.268 4.168 12.045) 12.748 4.435 ( 0.041 1.567 -4.875) 5.121 4.441 ( -0.218 1.630 -5.750) 5.980 4.837 ( 0.669 4.856 15.110) 15.885 4.869 ( -0.731 5.344 14.014) 15.016 4.930 ( 0.872 -3.232 2.781) 4.352 4.969 ( -0.806 -1.475 2.005) 2.616 5.652 ( 1.008 -4.096 -0.100) 4.219 5.704 ( -1.285 -3.440 0.870) 3.774 5.792 ( 0.702 0.408 -7.274) 7.320 5.822 ( -0.590 -0.200 -3.856) 3.906 5.914 ( 0.679 6.142 1.380) 6.331 5.951 ( -0.952 5.192 -3.455) 6.309 5.978 ( 0.365 0.980 -1.199) 1.591 5.990 ( -0.026 1.427 -2.829) 3.168 6.930 ( 0.408 1.948 -0.693) 2.107 6.950 ( -0.469 2.456 -0.921) 2.664 6.973 ( 0.292 3.468 -4.890) 6.002 6.987 ( -0.322 4.066 -4.496) 6.070 7.283 ( 0.723 -6.502 4.383) 7.875 7.314 ( -0.643 -6.586 3.759) 7.611 7.357 ( 0.381 -4.788 -3.432) 5.903 7.374 ( -0.350 -5.253 -2.613) 5.878 7.715 ( 0.178 -2.003 3.204) 3.783 7.723 ( -0.188 -2.749 3.331) 4.323 7.783 ( 0.253 -2.996 -3.965) 4.976 7.794 ( -0.230 -3.648 -4.107) 5.498 10.801 ( 0.091 1.306 4.992) 5.161 10.806 ( -0.119 0.582 5.024) 5.059 10.909 ( 0.115 1.724 -6.315) 6.547 10.914 ( -0.103 1.050 -6.319) 6.406 11.121 ( 0.058 1.166 7.036) 7.132 11.125 ( -0.089 1.429 6.479) 6.636 11.252 ( 0.145 2.693 -6.643) 7.170 11.259 ( -0.150 2.423 -7.169) 7.569 11.741 ( 0.367 1.068 9.119) 9.188 11.758 ( -0.357 0.752 8.623) 8.664 11.920 ( 0.189 0.135 -9.378) 9.381 11.928 ( -0.176 -0.091 -8.944) 8.946 12.236 ( 0.198 3.352 6.253) 7.098 12.246 ( -0.205 3.721 6.026) 7.085 12.337 ( 0.123 2.688 -4.245) 5.026 12.344 ( -0.144 3.027 -4.099) 5.097 13.919 ( 0.502 0.300 1.999) 2.083 13.941 ( 0.460 0.213 -0.240) 0.561 13.943 ( -0.501 -0.153 1.922) 1.992 13.963 ( -0.490 -0.364 -0.198) 0.641 ======================= Grid point 192 (69/75) ======================= q-point: (-0.50 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.905 4.802 17.295) 17.972 1.585 ( 0.905 4.802 17.295) 17.972 1.907 ( -2.188 2.843 -15.508) 15.918 1.907 ( 2.188 2.843 -15.508) 15.918 2.137 ( -0.596 -3.879 3.683) 5.382 2.137 ( 0.596 -3.879 3.683) 5.382 2.223 ( -0.911 -2.402 -5.194) 5.795 2.223 ( 0.911 -2.402 -5.194) 5.795 2.820 ( -1.076 12.388 11.502) 16.938 2.820 ( 1.076 12.388 11.502) 16.938 2.883 ( -1.168 9.729 12.134) 15.596 2.883 ( 1.168 9.729 12.134) 15.596 3.008 ( -2.497 5.168 -2.029) 6.088 3.008 ( 2.497 5.168 -2.029) 6.088 3.191 ( -1.003 8.225 -5.515) 9.953 3.191 ( 1.003 8.225 -5.515) 9.953 3.449 ( -0.204 0.345 0.255) 0.475 3.449 ( 0.204 0.345 0.255) 0.475 3.532 ( -0.749 2.597 -2.884) 3.953 3.532 ( 0.749 2.597 -2.884) 3.953 3.790 ( -1.369 -1.135 2.887) 3.390 3.790 ( 1.369 -1.135 2.887) 3.390 3.914 ( -1.573 -5.913 -10.483) 12.138 3.914 ( 1.573 -5.913 -10.483) 12.138 4.263 ( -0.387 3.859 12.302) 12.899 4.263 ( 0.387 3.859 12.302) 12.899 4.437 ( -0.198 1.609 -5.277) 5.521 4.437 ( 0.198 1.609 -5.277) 5.521 4.853 ( -0.961 5.070 14.574) 15.460 4.853 ( 0.961 5.070 14.574) 15.460 4.950 ( -1.172 -2.337 2.326) 3.499 4.950 ( 1.172 -2.337 2.326) 3.499 5.677 ( -1.584 -3.669 0.475) 4.025 5.677 ( 1.584 -3.669 0.475) 4.025 5.807 ( -0.900 0.082 -5.597) 5.669 5.807 ( 0.900 0.082 -5.597) 5.669 5.931 ( -1.085 5.679 -0.834) 5.841 5.931 ( 1.085 5.679 -0.834) 5.841 5.986 ( -0.415 1.156 -2.265) 2.576 5.986 ( 0.415 1.156 -2.265) 2.576 6.940 ( -0.608 2.190 -0.773) 2.400 6.940 ( 0.608 2.190 -0.773) 2.400 6.980 ( -0.419 3.748 -4.697) 6.024 6.980 ( 0.419 3.748 -4.697) 6.024 7.299 ( -0.956 -6.513 4.041) 7.724 7.299 ( 0.956 -6.513 4.041) 7.724 7.365 ( -0.514 -5.008 -3.019) 5.870 7.365 ( 0.514 -5.008 -3.019) 5.870 7.719 ( -0.257 -2.386 3.281) 4.065 7.719 ( 0.257 -2.386 3.281) 4.065 7.789 ( -0.340 -3.322 -4.042) 5.243 7.789 ( 0.340 -3.322 -4.042) 5.243 10.803 ( -0.150 0.956 5.017) 5.109 10.803 ( 0.150 0.956 5.017) 5.109 10.912 ( -0.158 1.400 -6.344) 6.499 10.912 ( 0.158 1.400 -6.344) 6.499 11.123 ( -0.112 1.290 6.786) 6.909 11.123 ( 0.112 1.290 6.786) 6.909 11.255 ( -0.207 2.559 -6.900) 7.362 11.255 ( 0.207 2.559 -6.900) 7.362 11.749 ( -0.511 0.906 8.873) 8.934 11.749 ( 0.511 0.906 8.873) 8.934 11.924 ( -0.256 0.008 -9.158) 9.161 11.924 ( 0.256 0.008 -9.158) 9.161 12.241 ( -0.286 3.547 6.135) 7.092 12.241 ( 0.286 3.547 6.135) 7.092 12.340 ( -0.187 2.864 -4.167) 5.060 12.340 ( 0.187 2.864 -4.167) 5.060 13.931 ( -0.711 0.071 1.956) 2.082 13.931 ( 0.711 0.071 1.956) 2.082 13.952 ( -0.673 -0.075 -0.212) 0.709 13.952 ( 0.673 -0.075 -0.212) 0.709 ======================= Grid point 195 (70/75) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 7.290 14.135) 15.905 1.728 ( 0.000 6.376 15.682) 16.928 1.915 ( 0.000 1.164 -8.474) 8.554 1.983 ( 0.000 -1.697 -7.194) 7.392 2.066 ( 0.000 1.153 -0.399) 1.220 2.136 ( 0.000 2.512 0.111) 2.514 2.151 ( 0.000 -1.692 -6.353) 6.574 2.237 ( 0.000 1.911 -6.104) 6.396 2.754 ( 0.000 -9.013 1.215) 9.094 2.823 ( 0.000 -9.407 -5.183) 10.740 2.886 ( 0.000 -10.864 4.609) 11.801 2.994 ( 0.000 -10.201 -6.395) 12.040 3.175 ( 0.000 15.121 16.049) 22.050 3.218 ( 0.000 14.951 18.871) 24.076 3.336 ( 0.000 11.314 6.572) 13.084 3.399 ( 0.000 11.670 9.807) 15.244 3.513 ( 0.000 6.609 -1.507) 6.778 3.568 ( 0.000 8.029 -7.465) 10.963 3.624 ( 0.000 8.020 3.989) 8.957 3.688 ( 0.000 8.479 -4.639) 9.666 3.760 ( 0.000 -1.150 -7.645) 7.731 3.791 ( 0.000 -1.986 -0.262) 2.003 3.825 ( 0.000 1.663 -10.421) 10.553 3.872 ( 0.000 -1.798 -9.103) 9.279 4.301 ( 0.000 2.095 12.263) 12.441 4.330 ( 0.000 2.107 10.485) 10.695 4.452 ( 0.000 0.158 -2.331) 2.336 4.464 ( 0.000 0.236 -4.261) 4.268 4.849 ( 0.000 -2.442 3.113) 3.957 4.896 ( 0.000 0.466 0.192) 0.504 4.911 ( 0.000 -1.672 4.222) 4.541 4.967 ( 0.000 -0.959 -1.180) 1.521 5.603 ( 0.000 0.567 8.026) 8.046 5.682 ( 0.000 -0.156 6.603) 6.605 5.787 ( 0.000 -0.383 -6.411) 6.423 5.805 ( 0.000 -2.082 -3.112) 3.744 6.008 ( 0.000 4.448 4.514) 6.337 6.024 ( 0.000 4.524 2.705) 5.270 6.061 ( 0.000 7.366 -0.936) 7.425 6.099 ( 0.000 7.031 -5.000) 8.628 6.965 ( 0.000 2.088 1.011) 2.320 7.000 ( 0.000 1.892 0.984) 2.133 7.033 ( 0.000 2.966 -5.628) 6.362 7.064 ( 0.000 3.052 -5.275) 6.094 7.141 ( 0.000 -6.974 5.391) 8.815 7.180 ( 0.000 -7.630 4.218) 8.719 7.248 ( 0.000 -5.963 -5.447) 8.076 7.258 ( 0.000 -6.677 -3.857) 7.711 7.668 ( 0.000 -2.680 1.909) 3.291 7.674 ( 0.000 -2.055 1.724) 2.682 7.719 ( 0.000 -3.973 -3.327) 5.182 7.719 ( 0.000 -3.359 -2.923) 4.452 10.820 ( 0.000 0.869 5.297) 5.367 10.825 ( 0.000 1.085 5.269) 5.379 10.936 ( 0.000 1.132 -6.745) 6.839 10.941 ( 0.000 1.398 -6.750) 6.893 11.140 ( 0.000 0.913 7.972) 8.024 11.150 ( 0.000 0.922 7.358) 7.416 11.300 ( 0.000 2.197 -8.071) 8.364 11.302 ( 0.000 1.894 -8.666) 8.871 11.763 ( 0.000 1.398 8.240) 8.357 11.778 ( 0.000 0.933 7.762) 7.818 11.926 ( 0.000 0.588 -8.756) 8.776 11.934 ( 0.000 0.379 -8.406) 8.414 12.294 ( 0.000 2.739 5.878) 6.485 12.310 ( 0.000 2.528 5.733) 6.266 12.384 ( 0.000 2.217 -3.586) 4.216 12.396 ( 0.000 2.099 -3.346) 3.950 13.923 ( 0.000 0.493 2.047) 2.106 13.943 ( 0.000 -0.225 1.896) 1.909 13.943 ( 0.000 0.356 -0.038) 0.358 13.959 ( 0.000 -0.352 0.163) 0.388 ======================= Grid point 196 (71/75) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.885 7.107 14.240) 15.939 1.719 ( -0.861 6.473 15.320) 16.654 1.922 ( 0.741 0.708 -8.061) 8.126 1.968 ( -1.371 -1.255 -6.934) 7.178 2.082 ( 1.391 1.398 -0.753) 2.111 2.126 ( -0.828 1.874 -0.282) 2.068 2.165 ( 1.272 -0.827 -6.128) 6.314 2.224 ( -1.347 1.351 -6.076) 6.368 2.770 ( 1.677 -9.123 1.598) 9.412 2.842 ( 1.981 -9.190 -5.142) 10.715 2.862 ( -2.327 -10.293 3.911) 11.254 2.960 ( -3.264 -9.159 -5.811) 11.327 3.187 ( 0.958 14.391 16.430) 21.862 3.214 ( -0.421 14.650 18.536) 23.630 3.349 ( 1.224 11.182 7.164) 13.336 3.392 ( -0.731 11.544 9.421) 14.918 3.523 ( 0.991 6.704 -2.600) 7.258 3.561 ( -0.708 7.677 -6.755) 10.250 3.637 ( 1.250 8.037 2.377) 8.474 3.681 ( -0.723 8.400 -3.824) 9.258 3.765 ( 0.506 -1.275 -6.340) 6.487 3.786 ( -0.462 -1.803 -1.185) 2.206 3.834 ( 0.841 1.120 -9.888) 9.986 3.866 ( -0.634 -1.300 -9.187) 9.300 4.305 ( 0.419 2.073 11.902) 12.089 4.325 ( -0.428 2.092 10.641) 10.853 4.453 ( 0.086 0.176 -2.605) 2.613 4.461 ( -0.250 0.222 -3.968) 3.982 4.858 ( 0.927 -2.306 3.369) 4.187 4.899 ( -0.546 -0.937 3.466) 3.632 4.910 ( 0.673 -0.550 0.607) 1.060 4.956 ( -1.036 -0.767 -1.064) 1.672 5.614 ( 1.185 0.497 7.852) 7.956 5.670 ( -1.232 -0.007 6.859) 6.968 5.790 ( 0.298 -0.638 -5.874) 5.916 5.802 ( -0.254 -1.822 -3.517) 3.969 6.011 ( 0.266 4.439 4.228) 6.136 6.023 ( -0.174 4.335 2.910) 5.224 6.066 ( 0.508 7.439 -1.616) 7.629 6.093 ( -0.602 7.088 -4.476) 8.404 6.969 ( 0.492 2.061 1.018) 2.350 6.994 ( -0.583 1.919 1.010) 2.246 7.037 ( 0.386 2.890 -5.472) 6.200 7.058 ( -0.585 2.863 -5.100) 5.878 7.149 ( 0.717 -6.898 4.951) 8.521 7.175 ( -0.474 -7.466 4.261) 8.610 7.250 ( 0.180 -6.076 -5.196) 7.997 7.257 ( -0.127 -6.578 -4.083) 7.743 7.669 ( 0.072 -2.588 1.909) 3.217 7.673 ( -0.096 -2.151 1.774) 2.790 7.719 ( 0.023 -3.615 -3.102) 4.763 7.720 ( 0.023 -3.686 -3.176) 4.866 10.821 ( 0.071 0.904 5.298) 5.375 10.824 ( -0.078 1.056 5.278) 5.384 10.937 ( 0.093 1.177 -6.785) 6.887 10.940 ( -0.054 1.364 -6.787) 6.923 11.141 ( 0.119 0.912 7.927) 7.980 11.148 ( -0.163 0.917 7.490) 7.548 11.300 ( 0.036 2.151 -8.170) 8.449 11.302 ( -0.027 1.946 -8.572) 8.790 11.765 ( 0.234 1.329 8.165) 8.276 11.776 ( -0.235 0.999 7.827) 7.894 11.927 ( 0.109 0.557 -8.702) 8.720 11.933 ( -0.119 0.409 -8.454) 8.465 12.296 ( 0.250 2.709 5.852) 6.453 12.307 ( -0.238 2.560 5.749) 6.298 12.386 ( 0.183 2.202 -3.545) 4.177 12.394 ( -0.190 2.118 -3.375) 3.989 13.926 ( 0.296 0.385 2.022) 2.080 13.940 ( -0.307 -0.122 1.915) 1.943 13.945 ( 0.237 0.254 -0.004) 0.348 13.957 ( -0.261 -0.247 0.139) 0.385 ======================= Grid point 197 (72/75) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -1.244 6.744 14.651) 16.176 1.699 ( 1.244 6.744 14.651) 16.176 1.941 ( -1.344 -0.302 -7.287) 7.416 1.941 ( 1.344 -0.302 -7.287) 7.416 2.107 ( -1.249 1.785 -0.567) 2.251 2.107 ( 1.249 1.785 -0.567) 2.251 2.194 ( -1.733 0.093 -6.176) 6.415 2.194 ( 1.733 0.093 -6.176) 6.415 2.812 ( -2.743 -9.566 2.675) 10.304 2.812 ( 2.743 -9.566 2.675) 10.304 2.894 ( -3.511 -8.709 -5.352) 10.809 2.894 ( 3.511 -8.709 -5.352) 10.809 3.203 ( -0.770 14.219 17.602) 22.641 3.203 ( 0.770 14.219 17.602) 22.641 3.373 ( -1.266 11.267 8.404) 14.113 3.373 ( 1.266 11.267 8.404) 14.113 3.544 ( -1.149 7.075 -4.880) 8.671 3.544 ( 1.149 7.075 -4.880) 8.671 3.662 ( -1.323 8.204 -1.118) 8.384 3.662 ( 1.323 8.204 -1.118) 8.384 3.776 ( -0.623 -1.606 -3.377) 3.791 3.776 ( 0.623 -1.606 -3.377) 3.791 3.851 ( -0.937 -0.038 -9.492) 9.538 3.851 ( 0.937 -0.038 -9.492) 9.538 4.315 ( -0.612 2.064 11.170) 11.375 4.315 ( 0.612 2.064 11.170) 11.375 4.456 ( -0.240 0.201 -3.279) 3.294 4.456 ( 0.240 0.201 -3.279) 3.294 4.879 ( -1.272 -1.921 3.916) 4.544 4.879 ( 1.272 -1.921 3.916) 4.544 4.932 ( -1.455 -0.335 -0.711) 1.653 4.932 ( 1.455 -0.335 -0.711) 1.653 5.642 ( -1.703 0.283 7.397) 7.596 5.642 ( 1.703 0.283 7.397) 7.596 5.796 ( -0.374 -1.230 -4.632) 4.807 5.796 ( 0.374 -1.230 -4.632) 4.807 6.017 ( -0.372 4.344 3.536) 5.613 6.017 ( 0.372 4.344 3.536) 5.613 6.079 ( -0.829 7.276 -3.128) 7.963 6.079 ( 0.829 7.276 -3.128) 7.963 6.981 ( -0.742 1.990 1.030) 2.360 6.981 ( 0.742 1.990 1.030) 2.360 7.046 ( -0.642 2.783 -5.173) 5.909 7.046 ( 0.642 2.783 -5.173) 5.909 7.163 ( -0.780 -7.101 4.462) 8.423 7.163 ( 0.780 -7.101 4.462) 8.423 7.253 ( -0.208 -6.334 -4.631) 7.849 7.253 ( 0.208 -6.334 -4.631) 7.849 7.671 ( -0.119 -2.371 1.867) 3.020 7.671 ( 0.119 -2.371 1.867) 3.020 7.720 ( -0.015 -3.636 -3.153) 4.813 7.720 ( 0.015 -3.636 -3.153) 4.813 10.823 ( -0.104 0.984 5.294) 5.385 10.823 ( 0.104 0.984 5.294) 5.385 10.939 ( -0.103 1.276 -6.824) 6.943 10.939 ( 0.103 1.276 -6.824) 6.943 11.144 ( -0.204 0.911 7.752) 7.808 11.144 ( 0.204 0.911 7.752) 7.808 11.301 ( -0.053 2.052 -8.373) 8.621 11.301 ( 0.053 2.052 -8.373) 8.621 11.771 ( -0.332 1.163 7.992) 8.083 11.771 ( 0.332 1.163 7.992) 8.083 11.930 ( -0.161 0.483 -8.575) 8.590 11.930 ( 0.161 0.483 -8.575) 8.590 12.302 ( -0.346 2.636 5.795) 6.376 12.302 ( 0.346 2.636 5.795) 6.376 12.390 ( -0.263 2.162 -3.454) 4.083 12.390 ( 0.263 2.162 -3.454) 4.083 13.933 ( -0.427 0.129 1.965) 2.015 13.933 ( 0.427 0.129 1.965) 2.015 13.951 ( -0.352 0.005 0.073) 0.359 13.951 ( 0.352 0.005 0.073) 0.359 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.000 7.541 10.092) 12.598 1.826 ( 0.000 3.810 9.468) 10.206 1.886 ( 0.000 -2.708 3.292) 4.262 1.929 ( 0.000 -3.759 1.289) 3.974 2.138 ( 0.000 2.993 -4.662) 5.540 2.186 ( 0.000 0.463 -0.646) 0.795 2.194 ( 0.000 7.552 -7.976) 10.984 2.282 ( 0.000 0.284 -4.775) 4.783 2.612 ( 0.000 -4.633 -2.871) 5.451 2.643 ( 0.000 -2.771 -4.160) 4.999 2.659 ( 0.000 -10.139 4.224) 10.984 2.771 ( 0.000 -11.389 -7.067) 13.403 3.436 ( 0.000 10.966 11.038) 15.559 3.454 ( 0.000 8.627 12.927) 15.541 3.517 ( 0.000 5.857 4.855) 7.608 3.566 ( 0.000 2.942 3.441) 4.528 3.624 ( 0.000 4.397 2.053) 4.853 3.652 ( 0.000 1.499 2.891) 3.256 3.691 ( 0.000 -1.094 6.992) 7.077 3.715 ( 0.000 -4.515 5.126) 6.831 3.794 ( 0.000 3.878 -5.839) 7.010 3.809 ( 0.000 2.617 -3.530) 4.394 3.848 ( 0.000 0.247 -5.690) 5.695 3.857 ( 0.000 -0.648 -6.831) 6.861 4.353 ( 0.000 2.909 5.999) 6.668 4.370 ( 0.000 1.550 4.822) 5.065 4.446 ( 0.000 -0.339 -2.742) 2.763 4.453 ( 0.000 -0.921 -3.696) 3.809 4.835 ( 0.000 1.495 -1.665) 2.238 4.872 ( 0.000 -1.588 -1.545) 2.216 4.874 ( 0.000 -1.615 -5.581) 5.810 4.904 ( 0.000 -4.674 -4.992) 6.838 5.648 ( 0.000 3.251 8.405) 9.011 5.690 ( 0.000 -0.267 6.055) 6.061 5.765 ( 0.000 -1.231 -1.316) 1.802 5.771 ( 0.000 -1.091 -3.743) 3.899 6.114 ( 0.000 4.786 7.439) 8.846 6.119 ( 0.000 4.240 6.783) 7.999 6.178 ( 0.000 3.628 1.329) 3.863 6.195 ( 0.000 2.100 -0.036) 2.100 6.996 ( 0.000 0.411 5.744) 5.758 7.015 ( 0.000 -1.147 5.255) 5.378 7.051 ( 0.000 -0.599 -0.057) 0.601 7.065 ( 0.000 -2.188 0.070) 2.190 7.074 ( 0.000 0.663 -4.906) 4.951 7.089 ( 0.000 -1.160 -5.190) 5.318 7.149 ( 0.000 -3.230 -6.593) 7.342 7.151 ( 0.000 -3.249 -5.588) 6.464 7.636 ( 0.000 -0.478 0.289) 0.558 7.643 ( 0.000 -0.982 0.156) 0.995 7.660 ( 0.000 -1.781 -2.176) 2.812 7.664 ( 0.000 -2.047 -1.881) 2.780 10.835 ( 0.000 0.557 5.409) 5.438 10.838 ( 0.000 0.255 5.418) 5.424 10.954 ( 0.000 0.671 -7.019) 7.051 10.958 ( 0.000 0.348 -7.031) 7.040 11.154 ( 0.000 0.533 8.400) 8.417 11.159 ( 0.000 0.084 8.169) 8.169 11.328 ( 0.000 0.778 -9.494) 9.526 11.329 ( 0.000 0.770 -9.269) 9.301 11.785 ( 0.000 0.814 7.596) 7.640 11.791 ( 0.000 0.246 7.434) 7.438 11.937 ( 0.000 0.418 -8.250) 8.260 11.940 ( 0.000 0.134 -8.134) 8.135 12.333 ( 0.000 1.296 5.662) 5.808 12.340 ( 0.000 0.612 5.626) 5.659 12.416 ( 0.000 1.041 -3.077) 3.248 12.421 ( 0.000 0.506 -2.973) 3.016 13.932 ( 0.000 0.415 2.010) 2.053 13.938 ( 0.000 -0.269 1.943) 1.962 13.949 ( 0.000 0.282 0.208) 0.350 13.954 ( 0.000 -0.242 0.310) 0.393 ======================= Grid point 201 (74/75) ======================= q-point: ( 0.25 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.230 5.482 9.789) 11.222 1.825 ( -0.332 4.869 9.293) 10.496 1.893 ( 0.677 -2.369 3.053) 3.923 1.923 ( -0.627 -3.074 1.267) 3.383 2.146 ( 0.842 3.105 -3.886) 5.045 2.180 ( -0.532 2.005 -1.364) 2.482 2.212 ( 1.487 5.585 -6.921) 9.017 2.270 ( -1.175 1.213 -4.828) 5.115 2.622 ( 0.655 -3.181 -2.595) 4.157 2.647 ( -0.179 -7.876 0.596) 7.901 2.653 ( 0.651 -7.623 -1.541) 7.805 2.749 ( -2.262 -10.659 -6.817) 12.853 3.439 ( 0.309 10.610 11.497) 15.648 3.451 ( -0.296 9.016 12.775) 15.639 3.526 ( 0.860 5.317 4.759) 7.188 3.560 ( -0.641 3.316 3.654) 4.976 3.628 ( 0.428 3.771 2.095) 4.335 3.648 ( -0.433 1.747 2.668) 3.218 3.696 ( 0.524 -1.505 6.471) 6.664 3.713 ( -0.221 -3.933 5.079) 6.427 3.796 ( 0.220 3.676 -5.310) 6.462 3.808 ( -0.197 2.895 -3.888) 4.851 3.852 ( 0.362 0.023 -5.629) 5.641 3.858 ( 0.118 -0.380 -6.596) 6.608 4.355 ( 0.181 2.660 5.836) 6.416 4.367 ( -0.319 1.691 5.004) 5.291 4.447 ( 0.058 -0.401 -2.919) 2.947 4.452 ( -0.162 -0.777 -3.586) 3.673 4.841 ( 0.559 1.052 -1.602) 1.996 4.867 ( -0.550 -1.129 -1.518) 1.970 4.879 ( 0.502 -2.064 -5.497) 5.894 4.900 ( -0.418 -4.227 -5.081) 6.622 5.654 ( 0.654 2.799 8.053) 8.551 5.684 ( -0.595 0.345 6.387) 6.424 5.766 ( 0.099 -1.297 -1.651) 2.102 5.770 ( -0.096 -1.179 -3.369) 3.570 6.114 ( 0.062 4.683 7.323) 8.693 6.118 ( -0.101 4.286 6.859) 8.089 6.180 ( 0.227 3.425 1.118) 3.610 6.192 ( -0.271 2.339 0.148) 2.359 6.998 ( 0.280 0.179 5.681) 5.691 7.012 ( -0.315 -0.912 5.332) 5.418 7.051 ( 0.024 -0.628 -0.225) 0.668 7.059 ( -0.431 -1.164 -0.746) 1.449 7.081 ( 0.460 -0.367 -4.201) 4.242 7.089 ( -0.016 -1.083 -5.027) 5.143 7.149 ( 0.004 -3.255 -6.384) 7.166 7.151 ( -0.068 -3.294 -5.718) 6.599 7.637 ( 0.077 -0.581 0.329) 0.672 7.641 ( -0.135 -0.931 0.223) 0.967 7.662 ( 0.111 -1.795 -2.159) 2.810 7.664 ( 0.008 -1.971 -1.980) 2.794 10.836 ( 0.052 0.514 5.415) 5.439 10.838 ( -0.049 0.302 5.422) 5.430 10.955 ( 0.082 0.625 -7.065) 7.094 10.958 ( -0.028 0.399 -7.075) 7.086 11.155 ( 0.043 0.464 8.420) 8.432 11.158 ( -0.099 0.148 8.253) 8.255 11.328 ( 0.010 0.779 -9.443) 9.475 11.329 ( 0.001 0.767 -9.335) 9.366 11.786 ( 0.084 0.732 7.568) 7.604 11.790 ( -0.084 0.330 7.453) 7.461 11.937 ( 0.041 0.379 -8.233) 8.242 11.939 ( -0.045 0.177 -8.151) 8.153 12.334 ( 0.109 1.194 5.655) 5.780 12.339 ( -0.101 0.711 5.629) 5.675 12.417 ( 0.080 0.962 -3.057) 3.205 12.421 ( -0.086 0.584 -2.983) 3.041 13.933 ( 0.090 0.314 1.999) 2.026 13.937 ( -0.105 -0.169 1.952) 1.962 13.950 ( 0.063 0.206 0.225) 0.311 13.953 ( -0.083 -0.165 0.297) 0.350 ======================= Grid point 202 (75/75) ======================= q-point: (-0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.341 4.700 9.365) 10.484 1.817 ( 0.341 4.700 9.365) 10.484 1.908 ( -0.897 -2.250 1.979) 3.128 1.908 ( 0.897 -2.250 1.979) 3.128 2.165 ( -1.051 2.872 -2.287) 3.819 2.165 ( 1.051 2.872 -2.287) 3.819 2.243 ( -1.734 3.403 -5.730) 6.886 2.243 ( 1.734 3.403 -5.730) 6.886 2.632 ( -0.693 -5.615 0.392) 5.671 2.632 ( 0.693 -5.615 0.392) 5.671 2.697 ( -3.079 -9.263 -5.775) 11.342 2.697 ( 3.079 -9.263 -5.775) 11.342 3.445 ( -0.339 9.833 12.308) 15.757 3.445 ( 0.339 9.833 12.308) 15.757 3.544 ( -1.018 4.227 4.253) 6.082 3.544 ( 1.018 4.227 4.253) 6.082 3.638 ( -0.586 2.604 2.278) 3.509 3.638 ( 0.586 2.604 2.278) 3.509 3.706 ( -0.508 -2.666 5.491) 6.125 3.706 ( 0.508 -2.666 5.491) 6.125 3.802 ( -0.370 3.320 -4.474) 5.583 3.802 ( 0.370 3.320 -4.474) 5.583 3.858 ( -0.192 -0.143 -6.000) 6.004 3.858 ( 0.192 -0.143 -6.000) 6.004 4.360 ( -0.379 2.121 5.430) 5.841 4.360 ( 0.379 2.121 5.430) 5.841 4.449 ( -0.157 -0.548 -3.286) 3.335 4.449 ( 0.157 -0.548 -3.286) 3.335 4.854 ( -0.786 -0.030 -1.515) 1.707 4.854 ( 0.786 -0.030 -1.515) 1.707 4.890 ( -0.647 -3.147 -5.292) 6.191 4.890 ( 0.647 -3.147 -5.292) 6.191 5.670 ( -0.895 1.649 7.212) 7.452 5.670 ( 0.895 1.649 7.212) 7.452 5.768 ( -0.145 -1.312 -2.491) 2.820 5.768 ( 0.145 -1.312 -2.491) 2.820 6.116 ( -0.131 4.457 7.072) 8.360 6.116 ( 0.131 4.457 7.072) 8.360 6.186 ( -0.354 2.899 0.619) 2.986 6.186 ( 0.354 2.899 0.619) 2.986 7.005 ( -0.421 -0.367 5.514) 5.542 7.005 ( 0.421 -0.367 5.514) 5.542 7.053 ( -0.219 -0.778 -0.540) 0.972 7.053 ( 0.219 -0.778 -0.540) 0.972 7.087 ( -0.233 -0.819 -4.620) 4.698 7.087 ( 0.233 -0.819 -4.620) 4.698 7.149 ( -0.060 -3.312 -6.011) 6.863 7.149 ( 0.060 -3.312 -6.011) 6.863 7.639 ( -0.142 -0.780 0.332) 0.859 7.639 ( 0.142 -0.780 0.332) 0.859 7.663 ( -0.066 -1.854 -2.112) 2.811 7.663 ( 0.066 -1.854 -2.112) 2.811 10.837 ( -0.071 0.410 5.423) 5.439 10.837 ( 0.071 0.410 5.423) 5.439 10.957 ( -0.078 0.515 -7.116) 7.135 10.957 ( 0.078 0.515 -7.116) 7.135 11.156 ( -0.104 0.303 8.388) 8.394 11.156 ( 0.104 0.303 8.388) 8.394 11.329 ( -0.016 0.772 -9.396) 9.428 11.329 ( 0.016 0.772 -9.396) 9.428 11.788 ( -0.119 0.532 7.506) 7.526 11.788 ( 0.119 0.532 7.506) 7.526 11.938 ( -0.060 0.280 -8.193) 8.198 11.938 ( 0.060 0.280 -8.193) 8.198 12.337 ( -0.149 0.951 5.640) 5.721 12.337 ( 0.149 0.951 5.640) 5.721 12.419 ( -0.117 0.772 -3.015) 3.115 12.419 ( 0.117 0.772 -3.015) 3.115 13.935 ( -0.139 0.072 1.974) 1.981 13.935 ( 0.139 0.072 1.974) 1.981 13.951 ( -0.103 0.021 0.263) 0.283 13.951 ( 0.103 0.021 0.263) 0.283 =================== 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 3/23328 10.0 87.030 306.040 311.046 0.000 0.000 0.000 3/23328 20.0 28.618 233.241 270.292 0.000 0.000 -0.000 3/23328 30.0 13.748 157.535 190.172 0.000 0.000 -0.000 3/23328 40.0 8.564 113.551 139.024 0.000 0.000 -0.000 3/23328 50.0 6.155 86.753 106.758 0.000 0.000 -0.000 3/23328 60.0 4.800 69.317 85.409 0.000 0.000 -0.000 3/23328 70.0 3.937 57.337 70.629 0.000 0.000 -0.000 3/23328 80.0 3.341 48.716 59.974 0.000 0.000 -0.000 3/23328 90.0 2.903 42.267 52.013 0.000 0.000 -0.000 3/23328 100.0 2.569 37.284 45.880 0.000 0.000 -0.000 3/23328 110.0 2.305 33.332 41.032 0.000 0.000 -0.000 3/23328 120.0 2.091 30.127 37.112 0.000 0.000 -0.000 3/23328 130.0 1.914 27.482 33.884 0.000 0.000 -0.000 3/23328 140.0 1.765 25.263 31.182 0.000 0.000 -0.000 3/23328 150.0 1.638 23.378 28.888 0.000 0.000 -0.000 3/23328 160.0 1.528 21.757 26.916 0.000 0.000 -0.000 3/23328 170.0 1.433 20.349 25.203 0.000 0.000 -0.000 3/23328 180.0 1.348 19.115 23.702 0.000 0.000 -0.000 3/23328 190.0 1.274 18.025 22.374 0.000 0.000 -0.000 3/23328 200.0 1.207 17.054 21.192 0.000 0.000 -0.000 3/23328 210.0 1.147 16.186 20.131 0.000 0.000 -0.000 3/23328 220.0 1.093 15.403 19.175 0.000 0.000 -0.000 3/23328 230.0 1.044 14.694 18.308 0.000 0.000 -0.000 3/23328 240.0 0.999 14.049 17.518 0.000 0.000 -0.000 3/23328 250.0 0.958 13.460 16.796 0.000 0.000 -0.000 3/23328 260.0 0.920 12.919 16.132 0.000 0.000 -0.000 3/23328 270.0 0.885 12.421 15.519 0.000 0.000 -0.000 3/23328 280.0 0.853 11.961 14.953 0.000 0.000 -0.000 3/23328 290.0 0.823 11.534 14.428 0.000 0.000 -0.000 3/23328 300.0 0.795 11.138 13.938 0.000 0.000 -0.000 3/23328 310.0 0.769 10.768 13.482 0.000 0.000 -0.000 3/23328 320.0 0.744 10.423 13.055 0.000 0.000 -0.000 3/23328 330.0 0.721 10.099 12.655 0.000 0.000 -0.000 3/23328 340.0 0.700 9.796 12.279 0.000 0.000 -0.000 3/23328 350.0 0.680 9.510 11.925 0.000 0.000 -0.000 3/23328 360.0 0.661 9.241 11.592 0.000 0.000 -0.000 3/23328 370.0 0.643 8.987 11.277 0.000 0.000 -0.000 3/23328 380.0 0.625 8.747 10.978 0.000 0.000 -0.000 3/23328 390.0 0.609 8.520 10.696 0.000 0.000 -0.000 3/23328 400.0 0.594 8.304 10.427 0.000 0.000 -0.000 3/23328 410.0 0.579 8.099 10.172 0.000 0.000 -0.000 3/23328 420.0 0.565 7.904 9.930 0.000 0.000 -0.000 3/23328 430.0 0.552 7.719 9.699 0.000 0.000 -0.000 3/23328 440.0 0.540 7.542 9.478 0.000 0.000 -0.000 3/23328 450.0 0.527 7.373 9.267 0.000 0.000 -0.000 3/23328 460.0 0.516 7.212 9.066 0.000 0.000 -0.000 3/23328 470.0 0.505 7.057 8.873 0.000 0.000 -0.000 3/23328 480.0 0.494 6.910 8.689 0.000 0.000 -0.000 3/23328 490.0 0.484 6.768 8.512 0.000 0.000 -0.000 3/23328 500.0 0.474 6.632 8.342 0.000 0.000 -0.000 3/23328 510.0 0.465 6.502 8.179 0.000 0.000 -0.000 3/23328 520.0 0.456 6.376 8.022 0.000 0.000 -0.000 3/23328 530.0 0.447 6.256 7.871 0.000 0.000 -0.000 3/23328 540.0 0.439 6.140 7.726 0.000 0.000 -0.000 3/23328 550.0 0.431 6.028 7.586 0.000 0.000 -0.000 3/23328 560.0 0.423 5.920 7.451 0.000 0.000 -0.000 3/23328 570.0 0.416 5.816 7.321 0.000 0.000 -0.000 3/23328 580.0 0.409 5.716 7.195 0.000 0.000 -0.000 3/23328 590.0 0.402 5.619 7.074 0.000 0.000 -0.000 3/23328 600.0 0.395 5.525 6.956 0.000 0.000 -0.000 3/23328 610.0 0.389 5.435 6.843 0.000 0.000 -0.000 3/23328 620.0 0.382 5.347 6.733 0.000 0.000 -0.000 3/23328 630.0 0.376 5.262 6.627 0.000 0.000 -0.000 3/23328 640.0 0.370 5.180 6.524 0.000 0.000 -0.000 3/23328 650.0 0.365 5.101 6.424 0.000 0.000 -0.000 3/23328 660.0 0.359 5.024 6.327 0.000 0.000 -0.000 3/23328 670.0 0.354 4.949 6.233 0.000 0.000 -0.000 3/23328 680.0 0.349 4.876 6.142 0.000 0.000 -0.000 3/23328 690.0 0.344 4.806 6.053 0.000 0.000 -0.000 3/23328 700.0 0.339 4.737 5.967 0.000 0.000 -0.000 3/23328 710.0 0.334 4.671 5.884 0.000 0.000 -0.000 3/23328 720.0 0.329 4.606 5.803 0.000 0.000 -0.000 3/23328 730.0 0.325 4.543 5.723 0.000 0.000 -0.000 3/23328 740.0 0.320 4.482 5.647 0.000 0.000 -0.000 3/23328 750.0 0.316 4.422 5.572 0.000 0.000 -0.000 3/23328 760.0 0.312 4.364 5.499 0.000 0.000 -0.000 3/23328 770.0 0.308 4.308 5.428 0.000 0.000 -0.000 3/23328 780.0 0.304 4.253 5.359 0.000 0.000 -0.000 3/23328 790.0 0.300 4.199 5.291 0.000 0.000 -0.000 3/23328 800.0 0.296 4.147 5.226 0.000 0.000 -0.000 3/23328 810.0 0.293 4.096 5.161 0.000 0.000 -0.000 3/23328 820.0 0.289 4.046 5.099 0.000 0.000 -0.000 3/23328 830.0 0.286 3.998 5.038 0.000 0.000 -0.000 3/23328 840.0 0.282 3.950 4.978 0.000 0.000 -0.000 3/23328 850.0 0.279 3.904 4.920 0.000 0.000 -0.000 3/23328 860.0 0.276 3.859 4.863 0.000 0.000 -0.000 3/23328 870.0 0.272 3.815 4.808 0.000 0.000 -0.000 3/23328 880.0 0.269 3.772 4.753 0.000 0.000 -0.000 3/23328 890.0 0.266 3.729 4.700 0.000 0.000 -0.000 3/23328 900.0 0.263 3.688 4.648 0.000 0.000 -0.000 3/23328 910.0 0.260 3.648 4.598 0.000 0.000 -0.000 3/23328 920.0 0.258 3.608 4.548 0.000 0.000 -0.000 3/23328 930.0 0.255 3.570 4.499 0.000 0.000 -0.000 3/23328 940.0 0.252 3.532 4.452 0.000 0.000 -0.000 3/23328 950.0 0.250 3.495 4.405 0.000 0.000 -0.000 3/23328 960.0 0.247 3.459 4.360 0.000 0.000 -0.000 3/23328 970.0 0.244 3.423 4.315 0.000 0.000 -0.000 3/23328 980.0 0.242 3.388 4.271 0.000 0.000 -0.000 3/23328 990.0 0.239 3.354 4.228 0.000 0.000 -0.000 3/23328 1000.0 0.237 3.321 4.186 0.000 0.000 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m499.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:27:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|