----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:12:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.934198750000000 -6.830276404999999 0.000000000000000 b 1.934198750000000 6.830276404999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): *1 S 0.16723628217926 0.83276371782074 0.07024752757699 32.065 2 S 0.83276371782074 0.16723628217926 0.92975247242301 32.065 3 S 0.83276371782074 0.16723628217926 0.57024752757699 32.065 4 S 0.16723628217926 0.83276371782074 0.42975247242301 32.065 *5 S 0.23961759241639 0.76038240758361 0.75000000000000 32.065 6 S 0.76038240758361 0.23961759241639 0.25000000000000 32.065 *7 S 0.56058649326170 0.43941350673830 0.61419348611731 32.065 8 S 0.56058649326170 0.43941350673830 0.88580651388269 32.065 9 S 0.43941350673830 0.56058649326170 0.38580651388269 32.065 10 S 0.43941350673830 0.56058649326170 0.11419348611731 32.065 *11 Cu 0.58482042274135 0.41517957725865 0.46547204001445 63.546 12 Cu 0.41517957725865 0.58482042274135 0.53452795998555 63.546 13 Cu 0.41517957725865 0.58482042274135 0.96547204001445 63.546 *14 Cu 0.34636778569687 0.65363221430313 0.25000000000000 63.546 15 Cu 0.65363221430313 0.34636778569687 0.75000000000000 63.546 16 Cu 0.58482042274135 0.41517957725865 0.03452795998555 63.546 *17 Rb 0.06442929895179 0.93557070104821 0.25000000000000 85.468 18 Rb 0.93557070104821 0.06442929895179 0.75000000000000 85.468 *19 Er 0.80734350000975 0.19265649999025 0.09282817399912 167.259 20 Er 0.19265649999025 0.80734350000975 0.90717182600088 167.259 21 Er 0.80734350000975 0.19265649999025 0.40717182600088 167.259 22 Er 0.19265649999025 0.80734350000975 0.59282817399912 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.868397499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.660552809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): *1 S 0.50000000000000 0.33276371782074 0.07024752757699 32.065 > 1 2 S 0.00000000000000 0.16723628217926 0.92975247242301 32.065 > 2 3 S 0.00000000000000 0.16723628217926 0.57024752757699 32.065 > 3 4 S 0.50000000000000 0.33276371782074 0.42975247242301 32.065 > 4 *5 S 0.50000000000000 0.26038240758361 0.75000000000000 32.065 > 5 6 S 0.00000000000000 0.23961759241639 0.25000000000000 32.065 > 6 *7 S 0.00000000000000 0.43941350673830 0.61419348611731 32.065 > 7 8 S 0.00000000000000 0.43941350673830 0.88580651388269 32.065 > 8 9 S 0.50000000000000 0.06058649326170 0.38580651388269 32.065 > 9 10 S 0.50000000000000 0.06058649326170 0.11419348611731 32.065 > 10 11 S 0.00000000000000 0.83276371782074 0.07024752757699 32.065 > 1 12 S 0.50000000000000 0.66723628217926 0.92975247242301 32.065 > 2 13 S 0.50000000000000 0.66723628217926 0.57024752757699 32.065 > 3 14 S 0.00000000000000 0.83276371782074 0.42975247242301 32.065 > 4 15 S 0.00000000000000 0.76038240758361 0.75000000000000 32.065 > 5 16 S 0.50000000000000 0.73961759241639 0.25000000000000 32.065 > 6 17 S 0.50000000000000 0.93941350673830 0.61419348611731 32.065 > 7 18 S 0.50000000000000 0.93941350673830 0.88580651388269 32.065 > 8 19 S 0.00000000000000 0.56058649326170 0.38580651388269 32.065 > 9 20 S 0.00000000000000 0.56058649326170 0.11419348611731 32.065 > 10 *21 Cu 0.00000000000000 0.41517957725865 0.46547204001445 63.546 > 11 22 Cu 0.50000000000000 0.08482042274135 0.53452795998555 63.546 > 12 23 Cu 0.50000000000000 0.08482042274135 0.96547204001445 63.546 > 13 *24 Cu 0.50000000000000 0.15363221430313 0.25000000000000 63.546 > 14 25 Cu 0.00000000000000 0.34636778569687 0.75000000000000 63.546 > 15 26 Cu 0.00000000000000 0.41517957725865 0.03452795998555 63.546 > 16 27 Cu 0.50000000000000 0.91517957725865 0.46547204001445 63.546 > 11 28 Cu 0.00000000000000 0.58482042274135 0.53452795998555 63.546 > 12 29 Cu 0.00000000000000 0.58482042274135 0.96547204001445 63.546 > 13 30 Cu 0.00000000000000 0.65363221430313 0.25000000000000 63.546 > 14 31 Cu 0.50000000000000 0.84636778569687 0.75000000000000 63.546 > 15 32 Cu 0.50000000000000 0.91517957725865 0.03452795998555 63.546 > 16 *33 Rb 0.50000000000000 0.43557070104821 0.25000000000000 85.468 > 17 34 Rb 0.00000000000000 0.06442929895179 0.75000000000000 85.468 > 18 35 Rb 0.00000000000000 0.93557070104821 0.25000000000000 85.468 > 17 36 Rb 0.50000000000000 0.56442929895179 0.75000000000000 85.468 > 18 *37 Er 0.00000000000000 0.19265649999025 0.09282817399912 167.259 > 19 38 Er 0.50000000000000 0.30734350000975 0.90717182600088 167.259 > 20 39 Er 0.00000000000000 0.19265649999025 0.40717182600088 167.259 > 21 40 Er 0.50000000000000 0.30734350000975 0.59282817399912 167.259 > 22 41 Er 0.50000000000000 0.69265649999025 0.09282817399912 167.259 > 19 42 Er 0.00000000000000 0.80734350000975 0.90717182600088 167.259 > 20 43 Er 0.50000000000000 0.69265649999025 0.40717182600088 167.259 > 21 44 Er 0.00000000000000 0.80734350000975 0.59282817399912 167.259 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.605192499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.660552809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): *1 S 0.16666666666667 0.33276371782074 0.07024752757699 32.065 > 1 2 S 0.50000000000000 0.33276371782074 0.07024752757699 32.065 > 1 3 S 0.83333333333333 0.33276371782074 0.07024752757699 32.065 > 1 4 S 0.00000000000000 0.16723628217926 0.92975247242301 32.065 > 2 5 S 0.33333333333333 0.16723628217926 0.92975247242301 32.065 > 2 6 S 0.66666666666667 0.16723628217926 0.92975247242301 32.065 > 2 7 S 0.00000000000000 0.16723628217926 0.57024752757699 32.065 > 3 8 S 0.33333333333333 0.16723628217926 0.57024752757699 32.065 > 3 9 S 0.66666666666667 0.16723628217926 0.57024752757699 32.065 > 3 10 S 0.16666666666667 0.33276371782074 0.42975247242301 32.065 > 4 11 S 0.50000000000000 0.33276371782074 0.42975247242301 32.065 > 4 12 S 0.83333333333333 0.33276371782074 0.42975247242301 32.065 > 4 *13 S 0.16666666666667 0.26038240758361 0.75000000000000 32.065 > 5 14 S 0.50000000000000 0.26038240758361 0.75000000000000 32.065 > 5 15 S 0.83333333333333 0.26038240758361 0.75000000000000 32.065 > 5 16 S 0.00000000000000 0.23961759241639 0.25000000000000 32.065 > 6 17 S 0.33333333333333 0.23961759241639 0.25000000000000 32.065 > 6 18 S 0.66666666666667 0.23961759241639 0.25000000000000 32.065 > 6 *19 S 0.00000000000000 0.43941350673830 0.61419348611731 32.065 > 7 20 S 0.33333333333333 0.43941350673830 0.61419348611731 32.065 > 7 21 S 0.66666666666667 0.43941350673830 0.61419348611731 32.065 > 7 22 S 0.00000000000000 0.43941350673830 0.88580651388269 32.065 > 8 23 S 0.33333333333333 0.43941350673830 0.88580651388269 32.065 > 8 24 S 0.66666666666667 0.43941350673830 0.88580651388269 32.065 > 8 25 S 0.16666666666667 0.06058649326170 0.38580651388269 32.065 > 9 26 S 0.50000000000000 0.06058649326170 0.38580651388269 32.065 > 9 27 S 0.83333333333333 0.06058649326170 0.38580651388269 32.065 > 9 28 S 0.16666666666667 0.06058649326170 0.11419348611731 32.065 > 10 29 S 0.50000000000000 0.06058649326170 0.11419348611731 32.065 > 10 30 S 0.83333333333333 0.06058649326170 0.11419348611731 32.065 > 10 31 S 0.00000000000000 0.83276371782074 0.07024752757699 32.065 > 1 32 S 0.33333333333333 0.83276371782074 0.07024752757699 32.065 > 1 33 S 0.66666666666667 0.83276371782074 0.07024752757699 32.065 > 1 34 S 0.16666666666667 0.66723628217926 0.92975247242301 32.065 > 2 35 S 0.50000000000000 0.66723628217926 0.92975247242301 32.065 > 2 36 S 0.83333333333333 0.66723628217926 0.92975247242301 32.065 > 2 37 S 0.16666666666667 0.66723628217926 0.57024752757699 32.065 > 3 38 S 0.50000000000000 0.66723628217926 0.57024752757699 32.065 > 3 39 S 0.83333333333333 0.66723628217926 0.57024752757699 32.065 > 3 40 S 0.00000000000000 0.83276371782074 0.42975247242301 32.065 > 4 41 S 0.33333333333333 0.83276371782074 0.42975247242301 32.065 > 4 42 S 0.66666666666667 0.83276371782074 0.42975247242301 32.065 > 4 43 S 0.00000000000000 0.76038240758361 0.75000000000000 32.065 > 5 44 S 0.33333333333333 0.76038240758361 0.75000000000000 32.065 > 5 45 S 0.66666666666667 0.76038240758361 0.75000000000000 32.065 > 5 46 S 0.16666666666667 0.73961759241639 0.25000000000000 32.065 > 6 47 S 0.50000000000000 0.73961759241639 0.25000000000000 32.065 > 6 48 S 0.83333333333333 0.73961759241639 0.25000000000000 32.065 > 6 49 S 0.16666666666667 0.93941350673830 0.61419348611731 32.065 > 7 50 S 0.50000000000000 0.93941350673830 0.61419348611731 32.065 > 7 51 S 0.83333333333333 0.93941350673830 0.61419348611731 32.065 > 7 52 S 0.16666666666667 0.93941350673830 0.88580651388269 32.065 > 8 53 S 0.50000000000000 0.93941350673830 0.88580651388269 32.065 > 8 54 S 0.83333333333333 0.93941350673830 0.88580651388269 32.065 > 8 55 S 0.00000000000000 0.56058649326170 0.38580651388269 32.065 > 9 56 S 0.33333333333333 0.56058649326170 0.38580651388269 32.065 > 9 57 S 0.66666666666667 0.56058649326170 0.38580651388269 32.065 > 9 58 S 0.00000000000000 0.56058649326170 0.11419348611731 32.065 > 10 59 S 0.33333333333333 0.56058649326170 0.11419348611731 32.065 > 10 60 S 0.66666666666667 0.56058649326170 0.11419348611731 32.065 > 10 *61 Cu 0.00000000000000 0.41517957725865 0.46547204001445 63.546 > 11 62 Cu 0.33333333333333 0.41517957725865 0.46547204001445 63.546 > 11 63 Cu 0.66666666666667 0.41517957725865 0.46547204001445 63.546 > 11 64 Cu 0.16666666666667 0.08482042274135 0.53452795998555 63.546 > 12 65 Cu 0.50000000000000 0.08482042274135 0.53452795998555 63.546 > 12 66 Cu 0.83333333333333 0.08482042274135 0.53452795998555 63.546 > 12 67 Cu 0.16666666666667 0.08482042274135 0.96547204001445 63.546 > 13 68 Cu 0.50000000000000 0.08482042274135 0.96547204001445 63.546 > 13 69 Cu 0.83333333333333 0.08482042274135 0.96547204001445 63.546 > 13 *70 Cu 0.16666666666667 0.15363221430313 0.25000000000000 63.546 > 14 71 Cu 0.50000000000000 0.15363221430313 0.25000000000000 63.546 > 14 72 Cu 0.83333333333333 0.15363221430313 0.25000000000000 63.546 > 14 73 Cu 0.00000000000000 0.34636778569687 0.75000000000000 63.546 > 15 74 Cu 0.33333333333333 0.34636778569687 0.75000000000000 63.546 > 15 75 Cu 0.66666666666667 0.34636778569687 0.75000000000000 63.546 > 15 76 Cu 0.00000000000000 0.41517957725865 0.03452795998555 63.546 > 16 77 Cu 0.33333333333333 0.41517957725865 0.03452795998555 63.546 > 16 78 Cu 0.66666666666667 0.41517957725865 0.03452795998555 63.546 > 16 79 Cu 0.16666666666667 0.91517957725865 0.46547204001445 63.546 > 11 80 Cu 0.50000000000000 0.91517957725865 0.46547204001445 63.546 > 11 81 Cu 0.83333333333333 0.91517957725865 0.46547204001445 63.546 > 11 82 Cu 0.00000000000000 0.58482042274135 0.53452795998555 63.546 > 12 83 Cu 0.33333333333333 0.58482042274135 0.53452795998555 63.546 > 12 84 Cu 0.66666666666667 0.58482042274135 0.53452795998555 63.546 > 12 85 Cu 0.00000000000000 0.58482042274135 0.96547204001445 63.546 > 13 86 Cu 0.33333333333333 0.58482042274135 0.96547204001445 63.546 > 13 87 Cu 0.66666666666667 0.58482042274135 0.96547204001445 63.546 > 13 88 Cu 0.00000000000000 0.65363221430313 0.25000000000000 63.546 > 14 89 Cu 0.33333333333333 0.65363221430313 0.25000000000000 63.546 > 14 90 Cu 0.66666666666667 0.65363221430313 0.25000000000000 63.546 > 14 91 Cu 0.16666666666667 0.84636778569687 0.75000000000000 63.546 > 15 92 Cu 0.50000000000000 0.84636778569687 0.75000000000000 63.546 > 15 93 Cu 0.83333333333333 0.84636778569687 0.75000000000000 63.546 > 15 94 Cu 0.16666666666667 0.91517957725865 0.03452795998555 63.546 > 16 95 Cu 0.50000000000000 0.91517957725865 0.03452795998555 63.546 > 16 96 Cu 0.83333333333333 0.91517957725865 0.03452795998555 63.546 > 16 *97 Rb 0.16666666666667 0.43557070104821 0.25000000000000 85.468 > 17 98 Rb 0.50000000000000 0.43557070104821 0.25000000000000 85.468 > 17 99 Rb 0.83333333333333 0.43557070104821 0.25000000000000 85.468 > 17 100 Rb 0.00000000000000 0.06442929895179 0.75000000000000 85.468 > 18 101 Rb 0.33333333333333 0.06442929895179 0.75000000000000 85.468 > 18 102 Rb 0.66666666666667 0.06442929895179 0.75000000000000 85.468 > 18 103 Rb 0.00000000000000 0.93557070104821 0.25000000000000 85.468 > 17 104 Rb 0.33333333333333 0.93557070104821 0.25000000000000 85.468 > 17 105 Rb 0.66666666666667 0.93557070104821 0.25000000000000 85.468 > 17 106 Rb 0.16666666666667 0.56442929895179 0.75000000000000 85.468 > 18 107 Rb 0.50000000000000 0.56442929895179 0.75000000000000 85.468 > 18 108 Rb 0.83333333333333 0.56442929895179 0.75000000000000 85.468 > 18 *109 Er 0.00000000000000 0.19265649999025 0.09282817399912 167.259 > 19 110 Er 0.33333333333333 0.19265649999025 0.09282817399912 167.259 > 19 111 Er 0.66666666666667 0.19265649999025 0.09282817399912 167.259 > 19 112 Er 0.16666666666667 0.30734350000975 0.90717182600088 167.259 > 20 113 Er 0.50000000000000 0.30734350000975 0.90717182600088 167.259 > 20 114 Er 0.83333333333333 0.30734350000975 0.90717182600088 167.259 > 20 115 Er 0.00000000000000 0.19265649999025 0.40717182600088 167.259 > 21 116 Er 0.33333333333333 0.19265649999025 0.40717182600088 167.259 > 21 117 Er 0.66666666666667 0.19265649999025 0.40717182600088 167.259 > 21 118 Er 0.16666666666667 0.30734350000975 0.59282817399912 167.259 > 22 119 Er 0.50000000000000 0.30734350000975 0.59282817399912 167.259 > 22 120 Er 0.83333333333333 0.30734350000975 0.59282817399912 167.259 > 22 121 Er 0.16666666666667 0.69265649999025 0.09282817399912 167.259 > 19 122 Er 0.50000000000000 0.69265649999025 0.09282817399912 167.259 > 19 123 Er 0.83333333333333 0.69265649999025 0.09282817399912 167.259 > 19 124 Er 0.00000000000000 0.80734350000975 0.90717182600088 167.259 > 20 125 Er 0.33333333333333 0.80734350000975 0.90717182600088 167.259 > 20 126 Er 0.66666666666667 0.80734350000975 0.90717182600088 167.259 > 20 127 Er 0.16666666666667 0.69265649999025 0.40717182600088 167.259 > 21 128 Er 0.50000000000000 0.69265649999025 0.40717182600088 167.259 > 21 129 Er 0.83333333333333 0.69265649999025 0.40717182600088 167.259 > 21 130 Er 0.00000000000000 0.80734350000975 0.59282817399912 167.259 > 22 131 Er 0.33333333333333 0.80734350000975 0.59282817399912 167.259 > 22 132 Er 0.66666666666667 0.80734350000975 0.59282817399912 167.259 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8442549 0.0000000 0.0000000 0.0000000 7.7252148 0.0000000 0.0000000 0.0000000 9.1090104 -------------------------- Born effective charges -------------------------- 1 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 0.1949079 0.0000000 0.3476831 -2.0984483 2 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 0.1949079 0.0000000 0.3476831 -2.0984483 3 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 -0.1949079 0.0000000 -0.3476831 -2.0984483 4 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 -0.1949079 0.0000000 -0.3476831 -2.0984483 5 S -1.4886124 0.0000000 0.0000000 0.0000000 -1.6464885 0.0000000 0.0000000 0.0000000 -4.0741316 6 S -1.4886124 0.0000000 0.0000000 0.0000000 -1.6464885 0.0000000 0.0000000 0.0000000 -4.0741316 7 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 -0.0448456 0.0000000 0.4455723 -2.3802658 8 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 0.0448456 0.0000000 -0.4455723 -2.3802658 9 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 -0.0448456 0.0000000 0.4455723 -2.3802658 10 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 0.0448456 0.0000000 -0.4455723 -2.3802658 11 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 -0.3526640 0.0000000 -0.2356978 0.8689329 12 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 -0.3526640 0.0000000 -0.2356978 0.8689329 13 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 0.3526640 0.0000000 0.2356978 0.8689329 14 Cu 0.4803941 0.0000000 0.0000000 0.0000000 0.4452301 0.0000000 0.0000000 0.0000000 1.1869611 15 Cu 0.4803941 0.0000000 0.0000000 0.0000000 0.4452301 0.0000000 0.0000000 0.0000000 1.1869611 16 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 0.3526640 0.0000000 0.2356978 0.8689329 17 Rb 1.0786995 0.0000000 0.0000000 0.0000000 1.4873354 0.0000000 0.0000000 0.0000000 1.6354692 18 Rb 1.0786995 0.0000000 0.0000000 0.0000000 1.4873354 0.0000000 0.0000000 0.0000000 1.6354692 19 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 -0.8941949 0.0000000 -0.1012535 4.2356318 20 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 -0.8941949 0.0000000 -0.1012535 4.2356318 21 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 0.8941949 0.0000000 0.1012535 4.2356318 22 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 0.8941949 0.0000000 0.1012535 4.2356318 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 400 - Time: 0.722 Solver_block: 200 / 400 - Time: 0.686 Solver_block: 300 / 400 - Time: 0.675 Solver_block: 400 / 400 - Time: 0.676 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.811 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:13:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:13:00]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.934198750000000 -6.830276404999999 0.000000000000000 b 1.934198750000000 6.830276404999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): 1 S 0.16723628217926 0.83276371782074 0.07024752757699 32.065 2 S 0.83276371782074 0.16723628217926 0.92975247242301 32.065 3 S 0.83276371782074 0.16723628217926 0.57024752757699 32.065 4 S 0.16723628217926 0.83276371782074 0.42975247242301 32.065 5 S 0.23961759241639 0.76038240758361 0.75000000000000 32.065 6 S 0.76038240758361 0.23961759241639 0.25000000000000 32.065 7 S 0.56058649326170 0.43941350673830 0.61419348611731 32.065 8 S 0.56058649326170 0.43941350673830 0.88580651388269 32.065 9 S 0.43941350673830 0.56058649326170 0.38580651388269 32.065 10 S 0.43941350673830 0.56058649326170 0.11419348611731 32.065 11 Cu 0.58482042274135 0.41517957725865 0.46547204001445 63.546 12 Cu 0.41517957725865 0.58482042274135 0.53452795998555 63.546 13 Cu 0.41517957725865 0.58482042274135 0.96547204001445 63.546 14 Cu 0.34636778569687 0.65363221430313 0.25000000000000 63.546 15 Cu 0.65363221430313 0.34636778569687 0.75000000000000 63.546 16 Cu 0.58482042274135 0.41517957725865 0.03452795998555 63.546 17 Rb 0.06442929895179 0.93557070104821 0.25000000000000 85.468 18 Rb 0.93557070104821 0.06442929895179 0.75000000000000 85.468 19 Er 0.80734350000975 0.19265649999025 0.09282817399912 167.259 20 Er 0.19265649999025 0.80734350000975 0.90717182600088 167.259 21 Er 0.80734350000975 0.19265649999025 0.40717182600088 167.259 22 Er 0.19265649999025 0.80734350000975 0.59282817399912 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.605192499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.660552809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): 1 S 0.16666666666667 0.33276371782074 0.07024752757699 32.065 > 1 2 S 0.50000000000000 0.33276371782074 0.07024752757699 32.065 > 1 3 S 0.83333333333333 0.33276371782074 0.07024752757699 32.065 > 1 4 S 0.00000000000000 0.16723628217926 0.92975247242301 32.065 > 4 5 S 0.33333333333333 0.16723628217926 0.92975247242301 32.065 > 4 6 S 0.66666666666667 0.16723628217926 0.92975247242301 32.065 > 4 7 S 0.00000000000000 0.16723628217926 0.57024752757699 32.065 > 7 8 S 0.33333333333333 0.16723628217926 0.57024752757699 32.065 > 7 9 S 0.66666666666667 0.16723628217926 0.57024752757699 32.065 > 7 10 S 0.16666666666667 0.33276371782074 0.42975247242301 32.065 > 10 11 S 0.50000000000000 0.33276371782074 0.42975247242301 32.065 > 10 12 S 0.83333333333333 0.33276371782074 0.42975247242301 32.065 > 10 13 S 0.16666666666667 0.26038240758361 0.75000000000000 32.065 > 13 14 S 0.50000000000000 0.26038240758361 0.75000000000000 32.065 > 13 15 S 0.83333333333333 0.26038240758361 0.75000000000000 32.065 > 13 16 S 0.00000000000000 0.23961759241639 0.25000000000000 32.065 > 16 17 S 0.33333333333333 0.23961759241639 0.25000000000000 32.065 > 16 18 S 0.66666666666667 0.23961759241639 0.25000000000000 32.065 > 16 19 S 0.00000000000000 0.43941350673830 0.61419348611731 32.065 > 19 20 S 0.33333333333333 0.43941350673830 0.61419348611731 32.065 > 19 21 S 0.66666666666667 0.43941350673830 0.61419348611731 32.065 > 19 22 S 0.00000000000000 0.43941350673830 0.88580651388269 32.065 > 22 23 S 0.33333333333333 0.43941350673830 0.88580651388269 32.065 > 22 24 S 0.66666666666667 0.43941350673830 0.88580651388269 32.065 > 22 25 S 0.16666666666667 0.06058649326170 0.38580651388269 32.065 > 25 26 S 0.50000000000000 0.06058649326170 0.38580651388269 32.065 > 25 27 S 0.83333333333333 0.06058649326170 0.38580651388269 32.065 > 25 28 S 0.16666666666667 0.06058649326170 0.11419348611731 32.065 > 28 29 S 0.50000000000000 0.06058649326170 0.11419348611731 32.065 > 28 30 S 0.83333333333333 0.06058649326170 0.11419348611731 32.065 > 28 31 S 0.00000000000000 0.83276371782074 0.07024752757699 32.065 > 1 32 S 0.33333333333333 0.83276371782074 0.07024752757699 32.065 > 1 33 S 0.66666666666667 0.83276371782074 0.07024752757699 32.065 > 1 34 S 0.16666666666667 0.66723628217926 0.92975247242301 32.065 > 4 35 S 0.50000000000000 0.66723628217926 0.92975247242301 32.065 > 4 36 S 0.83333333333333 0.66723628217926 0.92975247242301 32.065 > 4 37 S 0.16666666666667 0.66723628217926 0.57024752757699 32.065 > 7 38 S 0.50000000000000 0.66723628217926 0.57024752757699 32.065 > 7 39 S 0.83333333333333 0.66723628217926 0.57024752757699 32.065 > 7 40 S 0.00000000000000 0.83276371782074 0.42975247242301 32.065 > 10 41 S 0.33333333333333 0.83276371782074 0.42975247242301 32.065 > 10 42 S 0.66666666666667 0.83276371782074 0.42975247242301 32.065 > 10 43 S 0.00000000000000 0.76038240758361 0.75000000000000 32.065 > 13 44 S 0.33333333333333 0.76038240758361 0.75000000000000 32.065 > 13 45 S 0.66666666666667 0.76038240758361 0.75000000000000 32.065 > 13 46 S 0.16666666666667 0.73961759241639 0.25000000000000 32.065 > 16 47 S 0.50000000000000 0.73961759241639 0.25000000000000 32.065 > 16 48 S 0.83333333333333 0.73961759241639 0.25000000000000 32.065 > 16 49 S 0.16666666666667 0.93941350673830 0.61419348611731 32.065 > 19 50 S 0.50000000000000 0.93941350673830 0.61419348611731 32.065 > 19 51 S 0.83333333333333 0.93941350673830 0.61419348611731 32.065 > 19 52 S 0.16666666666667 0.93941350673830 0.88580651388269 32.065 > 22 53 S 0.50000000000000 0.93941350673830 0.88580651388269 32.065 > 22 54 S 0.83333333333333 0.93941350673830 0.88580651388269 32.065 > 22 55 S 0.00000000000000 0.56058649326170 0.38580651388269 32.065 > 25 56 S 0.33333333333333 0.56058649326170 0.38580651388269 32.065 > 25 57 S 0.66666666666667 0.56058649326170 0.38580651388269 32.065 > 25 58 S 0.00000000000000 0.56058649326170 0.11419348611731 32.065 > 28 59 S 0.33333333333333 0.56058649326170 0.11419348611731 32.065 > 28 60 S 0.66666666666667 0.56058649326170 0.11419348611731 32.065 > 28 61 Cu 0.00000000000000 0.41517957725865 0.46547204001445 63.546 > 61 62 Cu 0.33333333333333 0.41517957725865 0.46547204001445 63.546 > 61 63 Cu 0.66666666666667 0.41517957725865 0.46547204001445 63.546 > 61 64 Cu 0.16666666666667 0.08482042274135 0.53452795998555 63.546 > 64 65 Cu 0.50000000000000 0.08482042274135 0.53452795998555 63.546 > 64 66 Cu 0.83333333333333 0.08482042274135 0.53452795998555 63.546 > 64 67 Cu 0.16666666666667 0.08482042274135 0.96547204001445 63.546 > 67 68 Cu 0.50000000000000 0.08482042274135 0.96547204001445 63.546 > 67 69 Cu 0.83333333333333 0.08482042274135 0.96547204001445 63.546 > 67 70 Cu 0.16666666666667 0.15363221430313 0.25000000000000 63.546 > 70 71 Cu 0.50000000000000 0.15363221430313 0.25000000000000 63.546 > 70 72 Cu 0.83333333333333 0.15363221430313 0.25000000000000 63.546 > 70 73 Cu 0.00000000000000 0.34636778569687 0.75000000000000 63.546 > 73 74 Cu 0.33333333333333 0.34636778569687 0.75000000000000 63.546 > 73 75 Cu 0.66666666666667 0.34636778569687 0.75000000000000 63.546 > 73 76 Cu 0.00000000000000 0.41517957725865 0.03452795998555 63.546 > 76 77 Cu 0.33333333333333 0.41517957725865 0.03452795998555 63.546 > 76 78 Cu 0.66666666666667 0.41517957725865 0.03452795998555 63.546 > 76 79 Cu 0.16666666666667 0.91517957725865 0.46547204001445 63.546 > 61 80 Cu 0.50000000000000 0.91517957725865 0.46547204001445 63.546 > 61 81 Cu 0.83333333333333 0.91517957725865 0.46547204001445 63.546 > 61 82 Cu 0.00000000000000 0.58482042274135 0.53452795998555 63.546 > 64 83 Cu 0.33333333333333 0.58482042274135 0.53452795998555 63.546 > 64 84 Cu 0.66666666666667 0.58482042274135 0.53452795998555 63.546 > 64 85 Cu 0.00000000000000 0.58482042274135 0.96547204001445 63.546 > 67 86 Cu 0.33333333333333 0.58482042274135 0.96547204001445 63.546 > 67 87 Cu 0.66666666666667 0.58482042274135 0.96547204001445 63.546 > 67 88 Cu 0.00000000000000 0.65363221430313 0.25000000000000 63.546 > 70 89 Cu 0.33333333333333 0.65363221430313 0.25000000000000 63.546 > 70 90 Cu 0.66666666666667 0.65363221430313 0.25000000000000 63.546 > 70 91 Cu 0.16666666666667 0.84636778569687 0.75000000000000 63.546 > 73 92 Cu 0.50000000000000 0.84636778569687 0.75000000000000 63.546 > 73 93 Cu 0.83333333333333 0.84636778569687 0.75000000000000 63.546 > 73 94 Cu 0.16666666666667 0.91517957725865 0.03452795998555 63.546 > 76 95 Cu 0.50000000000000 0.91517957725865 0.03452795998555 63.546 > 76 96 Cu 0.83333333333333 0.91517957725865 0.03452795998555 63.546 > 76 97 Rb 0.16666666666667 0.43557070104821 0.25000000000000 85.468 > 97 98 Rb 0.50000000000000 0.43557070104821 0.25000000000000 85.468 > 97 99 Rb 0.83333333333333 0.43557070104821 0.25000000000000 85.468 > 97 100 Rb 0.00000000000000 0.06442929895179 0.75000000000000 85.468 > 100 101 Rb 0.33333333333333 0.06442929895179 0.75000000000000 85.468 > 100 102 Rb 0.66666666666667 0.06442929895179 0.75000000000000 85.468 > 100 103 Rb 0.00000000000000 0.93557070104821 0.25000000000000 85.468 > 97 104 Rb 0.33333333333333 0.93557070104821 0.25000000000000 85.468 > 97 105 Rb 0.66666666666667 0.93557070104821 0.25000000000000 85.468 > 97 106 Rb 0.16666666666667 0.56442929895179 0.75000000000000 85.468 > 100 107 Rb 0.50000000000000 0.56442929895179 0.75000000000000 85.468 > 100 108 Rb 0.83333333333333 0.56442929895179 0.75000000000000 85.468 > 100 109 Er 0.00000000000000 0.19265649999025 0.09282817399912 167.259 > 109 110 Er 0.33333333333333 0.19265649999025 0.09282817399912 167.259 > 109 111 Er 0.66666666666667 0.19265649999025 0.09282817399912 167.259 > 109 112 Er 0.16666666666667 0.30734350000975 0.90717182600088 167.259 > 112 113 Er 0.50000000000000 0.30734350000975 0.90717182600088 167.259 > 112 114 Er 0.83333333333333 0.30734350000975 0.90717182600088 167.259 > 112 115 Er 0.00000000000000 0.19265649999025 0.40717182600088 167.259 > 115 116 Er 0.33333333333333 0.19265649999025 0.40717182600088 167.259 > 115 117 Er 0.66666666666667 0.19265649999025 0.40717182600088 167.259 > 115 118 Er 0.16666666666667 0.30734350000975 0.59282817399912 167.259 > 118 119 Er 0.50000000000000 0.30734350000975 0.59282817399912 167.259 > 118 120 Er 0.83333333333333 0.30734350000975 0.59282817399912 167.259 > 118 121 Er 0.16666666666667 0.69265649999025 0.09282817399912 167.259 > 109 122 Er 0.50000000000000 0.69265649999025 0.09282817399912 167.259 > 109 123 Er 0.83333333333333 0.69265649999025 0.09282817399912 167.259 > 109 124 Er 0.00000000000000 0.80734350000975 0.90717182600088 167.259 > 112 125 Er 0.33333333333333 0.80734350000975 0.90717182600088 167.259 > 112 126 Er 0.66666666666667 0.80734350000975 0.90717182600088 167.259 > 112 127 Er 0.16666666666667 0.69265649999025 0.40717182600088 167.259 > 115 128 Er 0.50000000000000 0.69265649999025 0.40717182600088 167.259 > 115 129 Er 0.83333333333333 0.69265649999025 0.40717182600088 167.259 > 115 130 Er 0.00000000000000 0.80734350000975 0.59282817399912 167.259 > 118 131 Er 0.33333333333333 0.80734350000975 0.59282817399912 167.259 > 118 132 Er 0.66666666666667 0.80734350000975 0.59282817399912 167.259 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8442549 0.0000000 0.0000000 0.0000000 7.7252148 0.0000000 0.0000000 0.0000000 9.1090104 -------------------------- Born effective charges -------------------------- 1 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 0.1949079 0.0000000 0.3476831 -2.0984483 2 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 0.1949079 0.0000000 0.3476831 -2.0984483 3 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 -0.1949079 0.0000000 -0.3476831 -2.0984483 4 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 -0.1949079 0.0000000 -0.3476831 -2.0984483 5 S -1.4886124 0.0000000 0.0000000 0.0000000 -1.6464885 0.0000000 0.0000000 0.0000000 -4.0741316 6 S -1.4886124 0.0000000 0.0000000 0.0000000 -1.6464885 0.0000000 0.0000000 0.0000000 -4.0741316 7 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 -0.0448456 0.0000000 0.4455723 -2.3802658 8 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 0.0448456 0.0000000 -0.4455723 -2.3802658 9 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 -0.0448456 0.0000000 0.4455723 -2.3802658 10 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 0.0448456 0.0000000 -0.4455723 -2.3802658 11 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 -0.3526640 0.0000000 -0.2356978 0.8689329 12 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 -0.3526640 0.0000000 -0.2356978 0.8689329 13 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 0.3526640 0.0000000 0.2356978 0.8689329 14 Cu 0.4803941 0.0000000 0.0000000 0.0000000 0.4452301 0.0000000 0.0000000 0.0000000 1.1869611 15 Cu 0.4803941 0.0000000 0.0000000 0.0000000 0.4452301 0.0000000 0.0000000 0.0000000 1.1869611 16 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 0.3526640 0.0000000 0.2356978 0.8689329 17 Rb 1.0786995 0.0000000 0.0000000 0.0000000 1.4873354 0.0000000 0.0000000 0.0000000 1.6354692 18 Rb 1.0786995 0.0000000 0.0000000 0.0000000 1.4873354 0.0000000 0.0000000 0.0000000 1.6354692 19 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 -0.8941949 0.0000000 -0.1012535 4.2356318 20 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 -0.8941949 0.0000000 -0.1012535 4.2356318 21 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 0.8941949 0.0000000 0.1012535 4.2356318 22 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 0.8941949 0.0000000 0.1012535 4.2356318 ---------------------------------------------------------------------------- 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[ 13, 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[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 70, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:13:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:13:32]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.934198750000000 -6.830276404999999 0.000000000000000 b 1.934198750000000 6.830276404999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): 1 S 0.16723628217926 0.83276371782074 0.07024752757699 32.065 2 S 0.83276371782074 0.16723628217926 0.92975247242301 32.065 3 S 0.83276371782074 0.16723628217926 0.57024752757699 32.065 4 S 0.16723628217926 0.83276371782074 0.42975247242301 32.065 5 S 0.23961759241639 0.76038240758361 0.75000000000000 32.065 6 S 0.76038240758361 0.23961759241639 0.25000000000000 32.065 7 S 0.56058649326170 0.43941350673830 0.61419348611731 32.065 8 S 0.56058649326170 0.43941350673830 0.88580651388269 32.065 9 S 0.43941350673830 0.56058649326170 0.38580651388269 32.065 10 S 0.43941350673830 0.56058649326170 0.11419348611731 32.065 11 Cu 0.58482042274135 0.41517957725865 0.46547204001445 63.546 12 Cu 0.41517957725865 0.58482042274135 0.53452795998555 63.546 13 Cu 0.41517957725865 0.58482042274135 0.96547204001445 63.546 14 Cu 0.34636778569687 0.65363221430313 0.25000000000000 63.546 15 Cu 0.65363221430313 0.34636778569687 0.75000000000000 63.546 16 Cu 0.58482042274135 0.41517957725865 0.03452795998555 63.546 17 Rb 0.06442929895179 0.93557070104821 0.25000000000000 85.468 18 Rb 0.93557070104821 0.06442929895179 0.75000000000000 85.468 19 Er 0.80734350000975 0.19265649999025 0.09282817399912 167.259 20 Er 0.19265649999025 0.80734350000975 0.90717182600088 167.259 21 Er 0.80734350000975 0.19265649999025 0.40717182600088 167.259 22 Er 0.19265649999025 0.80734350000975 0.59282817399912 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.605192499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.660552809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.122860449999997 Atomic positions (fractional): 1 S 0.16666666666667 0.33276371782074 0.07024752757699 32.065 > 1 2 S 0.50000000000000 0.33276371782074 0.07024752757699 32.065 > 1 3 S 0.83333333333333 0.33276371782074 0.07024752757699 32.065 > 1 4 S 0.00000000000000 0.16723628217926 0.92975247242301 32.065 > 4 5 S 0.33333333333333 0.16723628217926 0.92975247242301 32.065 > 4 6 S 0.66666666666667 0.16723628217926 0.92975247242301 32.065 > 4 7 S 0.00000000000000 0.16723628217926 0.57024752757699 32.065 > 7 8 S 0.33333333333333 0.16723628217926 0.57024752757699 32.065 > 7 9 S 0.66666666666667 0.16723628217926 0.57024752757699 32.065 > 7 10 S 0.16666666666667 0.33276371782074 0.42975247242301 32.065 > 10 11 S 0.50000000000000 0.33276371782074 0.42975247242301 32.065 > 10 12 S 0.83333333333333 0.33276371782074 0.42975247242301 32.065 > 10 13 S 0.16666666666667 0.26038240758361 0.75000000000000 32.065 > 13 14 S 0.50000000000000 0.26038240758361 0.75000000000000 32.065 > 13 15 S 0.83333333333333 0.26038240758361 0.75000000000000 32.065 > 13 16 S 0.00000000000000 0.23961759241639 0.25000000000000 32.065 > 16 17 S 0.33333333333333 0.23961759241639 0.25000000000000 32.065 > 16 18 S 0.66666666666667 0.23961759241639 0.25000000000000 32.065 > 16 19 S 0.00000000000000 0.43941350673830 0.61419348611731 32.065 > 19 20 S 0.33333333333333 0.43941350673830 0.61419348611731 32.065 > 19 21 S 0.66666666666667 0.43941350673830 0.61419348611731 32.065 > 19 22 S 0.00000000000000 0.43941350673830 0.88580651388269 32.065 > 22 23 S 0.33333333333333 0.43941350673830 0.88580651388269 32.065 > 22 24 S 0.66666666666667 0.43941350673830 0.88580651388269 32.065 > 22 25 S 0.16666666666667 0.06058649326170 0.38580651388269 32.065 > 25 26 S 0.50000000000000 0.06058649326170 0.38580651388269 32.065 > 25 27 S 0.83333333333333 0.06058649326170 0.38580651388269 32.065 > 25 28 S 0.16666666666667 0.06058649326170 0.11419348611731 32.065 > 28 29 S 0.50000000000000 0.06058649326170 0.11419348611731 32.065 > 28 30 S 0.83333333333333 0.06058649326170 0.11419348611731 32.065 > 28 31 S 0.00000000000000 0.83276371782074 0.07024752757699 32.065 > 1 32 S 0.33333333333333 0.83276371782074 0.07024752757699 32.065 > 1 33 S 0.66666666666667 0.83276371782074 0.07024752757699 32.065 > 1 34 S 0.16666666666667 0.66723628217926 0.92975247242301 32.065 > 4 35 S 0.50000000000000 0.66723628217926 0.92975247242301 32.065 > 4 36 S 0.83333333333333 0.66723628217926 0.92975247242301 32.065 > 4 37 S 0.16666666666667 0.66723628217926 0.57024752757699 32.065 > 7 38 S 0.50000000000000 0.66723628217926 0.57024752757699 32.065 > 7 39 S 0.83333333333333 0.66723628217926 0.57024752757699 32.065 > 7 40 S 0.00000000000000 0.83276371782074 0.42975247242301 32.065 > 10 41 S 0.33333333333333 0.83276371782074 0.42975247242301 32.065 > 10 42 S 0.66666666666667 0.83276371782074 0.42975247242301 32.065 > 10 43 S 0.00000000000000 0.76038240758361 0.75000000000000 32.065 > 13 44 S 0.33333333333333 0.76038240758361 0.75000000000000 32.065 > 13 45 S 0.66666666666667 0.76038240758361 0.75000000000000 32.065 > 13 46 S 0.16666666666667 0.73961759241639 0.25000000000000 32.065 > 16 47 S 0.50000000000000 0.73961759241639 0.25000000000000 32.065 > 16 48 S 0.83333333333333 0.73961759241639 0.25000000000000 32.065 > 16 49 S 0.16666666666667 0.93941350673830 0.61419348611731 32.065 > 19 50 S 0.50000000000000 0.93941350673830 0.61419348611731 32.065 > 19 51 S 0.83333333333333 0.93941350673830 0.61419348611731 32.065 > 19 52 S 0.16666666666667 0.93941350673830 0.88580651388269 32.065 > 22 53 S 0.50000000000000 0.93941350673830 0.88580651388269 32.065 > 22 54 S 0.83333333333333 0.93941350673830 0.88580651388269 32.065 > 22 55 S 0.00000000000000 0.56058649326170 0.38580651388269 32.065 > 25 56 S 0.33333333333333 0.56058649326170 0.38580651388269 32.065 > 25 57 S 0.66666666666667 0.56058649326170 0.38580651388269 32.065 > 25 58 S 0.00000000000000 0.56058649326170 0.11419348611731 32.065 > 28 59 S 0.33333333333333 0.56058649326170 0.11419348611731 32.065 > 28 60 S 0.66666666666667 0.56058649326170 0.11419348611731 32.065 > 28 61 Cu 0.00000000000000 0.41517957725865 0.46547204001445 63.546 > 61 62 Cu 0.33333333333333 0.41517957725865 0.46547204001445 63.546 > 61 63 Cu 0.66666666666667 0.41517957725865 0.46547204001445 63.546 > 61 64 Cu 0.16666666666667 0.08482042274135 0.53452795998555 63.546 > 64 65 Cu 0.50000000000000 0.08482042274135 0.53452795998555 63.546 > 64 66 Cu 0.83333333333333 0.08482042274135 0.53452795998555 63.546 > 64 67 Cu 0.16666666666667 0.08482042274135 0.96547204001445 63.546 > 67 68 Cu 0.50000000000000 0.08482042274135 0.96547204001445 63.546 > 67 69 Cu 0.83333333333333 0.08482042274135 0.96547204001445 63.546 > 67 70 Cu 0.16666666666667 0.15363221430313 0.25000000000000 63.546 > 70 71 Cu 0.50000000000000 0.15363221430313 0.25000000000000 63.546 > 70 72 Cu 0.83333333333333 0.15363221430313 0.25000000000000 63.546 > 70 73 Cu 0.00000000000000 0.34636778569687 0.75000000000000 63.546 > 73 74 Cu 0.33333333333333 0.34636778569687 0.75000000000000 63.546 > 73 75 Cu 0.66666666666667 0.34636778569687 0.75000000000000 63.546 > 73 76 Cu 0.00000000000000 0.41517957725865 0.03452795998555 63.546 > 76 77 Cu 0.33333333333333 0.41517957725865 0.03452795998555 63.546 > 76 78 Cu 0.66666666666667 0.41517957725865 0.03452795998555 63.546 > 76 79 Cu 0.16666666666667 0.91517957725865 0.46547204001445 63.546 > 61 80 Cu 0.50000000000000 0.91517957725865 0.46547204001445 63.546 > 61 81 Cu 0.83333333333333 0.91517957725865 0.46547204001445 63.546 > 61 82 Cu 0.00000000000000 0.58482042274135 0.53452795998555 63.546 > 64 83 Cu 0.33333333333333 0.58482042274135 0.53452795998555 63.546 > 64 84 Cu 0.66666666666667 0.58482042274135 0.53452795998555 63.546 > 64 85 Cu 0.00000000000000 0.58482042274135 0.96547204001445 63.546 > 67 86 Cu 0.33333333333333 0.58482042274135 0.96547204001445 63.546 > 67 87 Cu 0.66666666666667 0.58482042274135 0.96547204001445 63.546 > 67 88 Cu 0.00000000000000 0.65363221430313 0.25000000000000 63.546 > 70 89 Cu 0.33333333333333 0.65363221430313 0.25000000000000 63.546 > 70 90 Cu 0.66666666666667 0.65363221430313 0.25000000000000 63.546 > 70 91 Cu 0.16666666666667 0.84636778569687 0.75000000000000 63.546 > 73 92 Cu 0.50000000000000 0.84636778569687 0.75000000000000 63.546 > 73 93 Cu 0.83333333333333 0.84636778569687 0.75000000000000 63.546 > 73 94 Cu 0.16666666666667 0.91517957725865 0.03452795998555 63.546 > 76 95 Cu 0.50000000000000 0.91517957725865 0.03452795998555 63.546 > 76 96 Cu 0.83333333333333 0.91517957725865 0.03452795998555 63.546 > 76 97 Rb 0.16666666666667 0.43557070104821 0.25000000000000 85.468 > 97 98 Rb 0.50000000000000 0.43557070104821 0.25000000000000 85.468 > 97 99 Rb 0.83333333333333 0.43557070104821 0.25000000000000 85.468 > 97 100 Rb 0.00000000000000 0.06442929895179 0.75000000000000 85.468 > 100 101 Rb 0.33333333333333 0.06442929895179 0.75000000000000 85.468 > 100 102 Rb 0.66666666666667 0.06442929895179 0.75000000000000 85.468 > 100 103 Rb 0.00000000000000 0.93557070104821 0.25000000000000 85.468 > 97 104 Rb 0.33333333333333 0.93557070104821 0.25000000000000 85.468 > 97 105 Rb 0.66666666666667 0.93557070104821 0.25000000000000 85.468 > 97 106 Rb 0.16666666666667 0.56442929895179 0.75000000000000 85.468 > 100 107 Rb 0.50000000000000 0.56442929895179 0.75000000000000 85.468 > 100 108 Rb 0.83333333333333 0.56442929895179 0.75000000000000 85.468 > 100 109 Er 0.00000000000000 0.19265649999025 0.09282817399912 167.259 > 109 110 Er 0.33333333333333 0.19265649999025 0.09282817399912 167.259 > 109 111 Er 0.66666666666667 0.19265649999025 0.09282817399912 167.259 > 109 112 Er 0.16666666666667 0.30734350000975 0.90717182600088 167.259 > 112 113 Er 0.50000000000000 0.30734350000975 0.90717182600088 167.259 > 112 114 Er 0.83333333333333 0.30734350000975 0.90717182600088 167.259 > 112 115 Er 0.00000000000000 0.19265649999025 0.40717182600088 167.259 > 115 116 Er 0.33333333333333 0.19265649999025 0.40717182600088 167.259 > 115 117 Er 0.66666666666667 0.19265649999025 0.40717182600088 167.259 > 115 118 Er 0.16666666666667 0.30734350000975 0.59282817399912 167.259 > 118 119 Er 0.50000000000000 0.30734350000975 0.59282817399912 167.259 > 118 120 Er 0.83333333333333 0.30734350000975 0.59282817399912 167.259 > 118 121 Er 0.16666666666667 0.69265649999025 0.09282817399912 167.259 > 109 122 Er 0.50000000000000 0.69265649999025 0.09282817399912 167.259 > 109 123 Er 0.83333333333333 0.69265649999025 0.09282817399912 167.259 > 109 124 Er 0.00000000000000 0.80734350000975 0.90717182600088 167.259 > 112 125 Er 0.33333333333333 0.80734350000975 0.90717182600088 167.259 > 112 126 Er 0.66666666666667 0.80734350000975 0.90717182600088 167.259 > 112 127 Er 0.16666666666667 0.69265649999025 0.40717182600088 167.259 > 115 128 Er 0.50000000000000 0.69265649999025 0.40717182600088 167.259 > 115 129 Er 0.83333333333333 0.69265649999025 0.40717182600088 167.259 > 115 130 Er 0.00000000000000 0.80734350000975 0.59282817399912 167.259 > 118 131 Er 0.33333333333333 0.80734350000975 0.59282817399912 167.259 > 118 132 Er 0.66666666666667 0.80734350000975 0.59282817399912 167.259 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8442549 0.0000000 0.0000000 0.0000000 7.7252148 0.0000000 0.0000000 0.0000000 9.1090104 -------------------------- Born effective charges -------------------------- 1 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 0.1949079 0.0000000 0.3476831 -2.0984483 2 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 0.1949079 0.0000000 0.3476831 -2.0984483 3 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 -0.1949079 0.0000000 -0.3476831 -2.0984483 4 S -2.8665440 0.0000000 0.0000000 0.0000000 -2.0709245 -0.1949079 0.0000000 -0.3476831 -2.0984483 5 S -1.4886124 0.0000000 0.0000000 0.0000000 -1.6464885 0.0000000 0.0000000 0.0000000 -4.0741316 6 S -1.4886124 0.0000000 0.0000000 0.0000000 -1.6464885 0.0000000 0.0000000 0.0000000 -4.0741316 7 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 -0.0448456 0.0000000 0.4455723 -2.3802658 8 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 0.0448456 0.0000000 -0.4455723 -2.3802658 9 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 -0.0448456 0.0000000 0.4455723 -2.3802658 10 S -2.3191934 0.0000000 0.0000000 0.0000000 -2.2650725 0.0448456 0.0000000 -0.4455723 -2.3802658 11 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 -0.3526640 0.0000000 -0.2356978 0.8689329 12 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 -0.3526640 0.0000000 -0.2356978 0.8689329 13 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 0.3526640 0.0000000 0.2356978 0.8689329 14 Cu 0.4803941 0.0000000 0.0000000 0.0000000 0.4452301 0.0000000 0.0000000 0.0000000 1.1869611 15 Cu 0.4803941 0.0000000 0.0000000 0.0000000 0.4452301 0.0000000 0.0000000 0.0000000 1.1869611 16 Cu 0.7318910 0.0000000 0.0000000 0.0000000 1.0374297 0.3526640 0.0000000 0.2356978 0.8689329 17 Rb 1.0786995 0.0000000 0.0000000 0.0000000 1.4873354 0.0000000 0.0000000 0.0000000 1.6354692 18 Rb 1.0786995 0.0000000 0.0000000 0.0000000 1.4873354 0.0000000 0.0000000 0.0000000 1.6354692 19 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 -0.8941949 0.0000000 -0.1012535 4.2356318 20 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 -0.8941949 0.0000000 -0.1012535 4.2356318 21 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 0.8941949 0.0000000 0.1012535 4.2356318 22 Er 4.4186058 0.0000000 0.0000000 0.0000000 3.1555288 0.8941949 0.0000000 0.1012535 4.2356318 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 3 ] 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: 0.55, Number of G-points: 301, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 22.037 -5.831 0.000) 22.795 0.504 ( 24.125 -3.889 0.000) 24.436 0.951 ( 43.164 -11.750 0.000) 44.735 1.155 ( 6.822 -3.517 0.000) 7.675 1.322 ( 15.238 -2.110 0.000) 15.383 1.577 ( 3.546 -1.498 0.000) 3.849 1.731 ( 5.212 4.768 0.000) 7.064 1.774 ( -0.908 2.270 0.000) 2.445 1.863 ( 5.490 -2.743 0.000) 6.137 2.047 ( 6.912 0.490 0.000) 6.930 2.123 ( 8.346 -5.872 0.000) 10.205 2.183 ( 0.542 1.172 0.000) 1.291 2.234 ( 8.742 -0.556 0.000) 8.760 2.286 ( -0.409 -1.173 0.000) 1.243 2.361 ( 9.863 -0.001 0.000) 9.863 2.557 ( -2.660 -0.481 0.000) 2.703 2.573 ( -1.076 0.447 0.000) 1.165 2.654 ( -2.004 -0.036 0.000) 2.004 2.715 ( -0.097 4.540 0.000) 4.541 2.755 ( 0.977 -1.731 0.000) 1.988 2.790 ( 4.989 0.288 0.000) 4.997 2.798 ( 5.915 -0.656 0.000) 5.951 2.815 ( 4.620 2.347 0.000) 5.182 2.851 ( 1.687 -3.029 0.000) 3.467 3.018 ( 7.351 0.935 0.000) 7.410 3.025 ( 6.597 1.091 0.000) 6.687 3.077 ( 2.032 3.169 0.000) 3.764 3.128 ( 7.332 4.942 0.000) 8.842 3.175 ( -0.237 -5.875 0.000) 5.880 3.200 ( 0.207 -0.017 0.000) 0.208 3.305 ( -1.364 -5.299 0.000) 5.472 3.695 ( 1.025 -0.614 0.000) 1.195 3.894 ( -0.317 1.313 0.000) 1.351 4.028 ( -0.727 0.713 0.000) 1.019 4.333 ( -2.706 0.322 0.000) 2.725 4.388 ( -1.880 0.168 0.000) 1.887 5.707 ( 1.940 -0.863 0.000) 2.124 6.115 ( -5.223 2.223 0.000) 5.677 6.377 ( 1.078 -0.187 0.000) 1.094 6.398 ( 11.106 -0.776 0.000) 11.133 6.477 ( 5.492 -0.610 0.000) 5.526 6.489 ( 7.369 -0.585 0.000) 7.392 6.756 ( -0.464 4.331 0.000) 4.355 6.878 ( 8.719 24.274 0.000) 25.792 6.958 ( 0.924 -5.941 0.000) 6.012 7.270 ( -5.827 -10.984 0.000) 12.434 7.325 ( -0.462 0.054 0.000) 0.465 7.394 ( -1.794 -11.500 0.000) 11.639 7.633 ( -0.096 -0.572 0.000) 0.580 7.709 ( -0.013 -2.837 0.000) 2.837 8.057 ( -0.818 -0.939 0.000) 1.246 8.165 ( -1.909 0.230 0.000) 1.923 8.192 ( -1.475 0.089 0.000) 1.478 8.409 ( -3.238 0.549 0.000) 3.284 8.499 ( 7.832 1.501 0.000) 7.975 8.523 ( 4.613 -0.623 0.000) 4.655 8.669 ( 6.785 1.213 0.000) 6.892 8.695 ( 0.272 0.068 0.000) 0.280 8.904 ( -0.832 -0.636 0.000) 1.048 8.924 ( 4.904 2.898 0.000) 5.696 9.003 ( -2.725 1.371 0.000) 3.051 9.098 ( -0.346 1.430 0.000) 1.471 9.164 ( 3.244 -1.393 0.000) 3.530 9.267 ( 2.674 2.408 0.000) 3.598 10.136 ( -1.357 -0.008 0.000) 1.357 10.471 ( -5.498 1.565 0.000) 5.717 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 20.339 -5.037 0.000) 20.953 0.996 ( 23.505 -1.302 0.000) 23.541 1.358 ( 10.652 -3.285 0.000) 11.148 1.542 ( 5.660 -0.351 0.000) 5.671 1.693 ( 7.111 -2.616 0.000) 7.577 1.769 ( 1.294 -0.220 0.000) 1.313 1.798 ( 27.425 -7.835 0.000) 28.522 1.863 ( 17.363 4.138 0.000) 17.850 2.108 ( 12.211 -1.202 0.000) 12.270 2.205 ( 8.925 2.368 0.000) 9.233 2.218 ( 7.373 2.160 0.000) 7.683 2.286 ( 0.825 -0.604 0.000) 1.022 2.350 ( 9.271 -5.485 0.000) 10.772 2.404 ( 6.353 -0.673 0.000) 6.389 2.517 ( -1.152 -0.718 0.000) 1.357 2.553 ( -0.521 0.536 0.000) 0.748 2.592 ( 10.244 0.910 0.000) 10.285 2.636 ( 0.119 -1.214 0.000) 1.220 2.703 ( 2.663 2.865 0.000) 3.911 2.779 ( 0.308 -1.934 0.000) 1.959 2.852 ( 2.570 0.340 0.000) 2.593 2.874 ( 3.113 1.903 0.000) 3.648 2.965 ( 5.106 0.320 0.000) 5.116 2.969 ( 10.313 -1.641 0.000) 10.443 3.111 ( 7.007 4.299 0.000) 8.221 3.171 ( 4.969 -1.090 0.000) 5.087 3.180 ( 6.343 2.785 0.000) 6.928 3.238 ( 8.723 2.299 0.000) 9.020 3.248 ( 4.948 -6.669 0.000) 8.304 3.250 ( 4.242 -1.578 0.000) 4.526 3.354 ( 3.618 -5.790 0.000) 6.828 3.722 ( 1.561 0.290 0.000) 1.588 3.864 ( -1.919 2.250 0.000) 2.957 3.995 ( -1.779 2.380 0.000) 2.971 4.268 ( -3.360 0.380 0.000) 3.381 4.336 ( -3.085 0.261 0.000) 3.096 5.770 ( 3.703 -1.001 0.000) 3.836 5.997 ( -4.475 2.069 0.000) 4.930 6.414 ( 2.794 0.318 0.000) 2.812 6.586 ( 3.081 0.527 0.000) 3.126 6.613 ( 7.445 -0.551 0.000) 7.466 6.676 ( 10.232 -0.463 0.000) 10.242 6.780 ( 8.448 4.648 0.000) 9.642 6.931 ( 6.194 9.547 0.000) 11.380 7.031 ( 2.750 -7.603 0.000) 8.085 7.226 ( -3.471 -6.303 0.000) 7.195 7.332 ( 1.462 -0.484 0.000) 1.540 7.404 ( -0.188 -0.349 0.000) 0.397 7.651 ( 1.048 -2.089 0.000) 2.337 7.740 ( 1.644 -2.678 0.000) 3.142 8.044 ( -1.014 -1.127 0.000) 1.516 8.137 ( -0.752 0.257 0.000) 0.794 8.158 ( -1.618 0.172 0.000) 1.627 8.333 ( -3.854 0.521 0.000) 3.889 8.542 ( -1.258 2.943 0.000) 3.201 8.676 ( 6.735 1.895 0.000) 6.997 8.776 ( 8.503 -0.677 0.000) 8.530 8.781 ( 2.149 3.879 0.000) 4.435 8.910 ( 1.999 -2.466 0.000) 3.175 8.925 ( -1.112 6.623 0.000) 6.715 9.012 ( 4.178 -2.136 0.000) 4.692 9.139 ( 5.666 -1.323 0.000) 5.819 9.249 ( 4.584 -0.335 0.000) 4.596 9.322 ( 3.381 -0.723 0.000) 3.457 10.101 ( -1.960 -0.093 0.000) 1.962 10.328 ( -7.148 1.886 0.000) 7.393 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 17.047 -3.736 0.000) 17.452 1.440 ( 20.911 1.477 0.000) 20.963 1.562 ( 7.343 -0.345 0.000) 7.351 1.629 ( 4.361 -0.597 0.000) 4.402 1.842 ( 6.025 -1.338 0.000) 6.172 1.869 ( 8.471 -3.210 0.000) 9.059 1.999 ( 9.222 4.481 0.000) 10.253 2.182 ( 1.573 2.369 0.000) 2.844 2.251 ( 2.787 2.518 0.000) 3.756 2.348 ( 5.533 4.212 0.000) 6.954 2.368 ( 6.117 -1.171 0.000) 6.228 2.446 ( 6.294 0.044 0.000) 6.294 2.468 ( 1.770 0.598 0.000) 1.868 2.519 ( 0.907 -0.927 0.000) 1.296 2.548 ( 1.056 1.575 0.000) 1.896 2.603 ( 12.985 -1.963 0.000) 13.132 2.670 ( 1.304 -2.170 0.000) 2.532 2.699 ( 6.314 2.542 0.000) 6.806 2.755 ( -1.413 -1.317 0.000) 1.932 2.835 ( 2.223 -0.107 0.000) 2.226 2.936 ( 4.237 -1.192 0.000) 4.401 2.942 ( 10.918 -2.132 0.000) 11.124 3.014 ( 1.603 2.686 0.000) 3.128 3.196 ( 6.635 -3.744 0.000) 7.618 3.272 ( 9.339 3.107 0.000) 9.843 3.288 ( 9.438 -2.977 0.000) 9.896 3.295 ( 8.401 1.870 0.000) 8.607 3.389 ( 6.356 -3.526 0.000) 7.269 3.423 ( 8.576 -0.944 0.000) 8.628 3.425 ( 10.627 -1.842 0.000) 10.785 3.488 ( 7.887 -2.422 0.000) 8.250 3.751 ( 1.756 1.463 0.000) 2.286 3.792 ( -3.961 1.708 0.000) 4.314 3.932 ( -3.283 1.076 0.000) 3.455 4.209 ( -2.153 -0.035 0.000) 2.153 4.272 ( -2.899 0.323 0.000) 2.917 5.853 ( 3.976 0.153 0.000) 3.979 5.941 ( -0.043 0.689 0.000) 0.691 6.487 ( 4.775 0.839 0.000) 4.848 6.567 ( -1.507 1.105 0.000) 1.869 6.767 ( 7.843 0.565 0.000) 7.863 6.866 ( 8.546 1.204 0.000) 8.630 6.955 ( 8.710 3.129 0.000) 9.255 7.008 ( 5.322 5.144 0.000) 7.402 7.156 ( 5.262 -6.691 0.000) 8.512 7.206 ( -1.039 -3.562 0.000) 3.710 7.395 ( 4.651 -0.546 0.000) 4.683 7.411 ( 1.305 0.469 0.000) 1.387 7.692 ( 1.793 -1.687 0.000) 2.462 7.792 ( 1.888 -1.460 0.000) 2.387 8.033 ( -0.677 -1.014 0.000) 1.219 8.126 ( -0.332 0.419 0.000) 0.535 8.132 ( -0.776 0.502 0.000) 0.924 8.256 ( -3.480 0.384 0.000) 3.501 8.462 ( -4.298 3.238 0.000) 5.382 8.690 ( -6.150 4.995 0.000) 7.922 8.699 ( -1.453 3.973 0.000) 4.230 8.834 ( -4.603 5.622 0.000) 7.266 8.990 ( 11.376 -0.458 0.000) 11.386 9.046 ( 8.747 -2.632 0.000) 9.134 9.202 ( 11.545 -1.465 0.000) 11.637 9.286 ( 7.534 0.752 0.000) 7.571 9.344 ( 4.760 -0.489 0.000) 4.785 9.413 ( 4.983 -2.843 0.000) 5.737 10.068 ( -1.287 -0.404 0.000) 1.349 10.190 ( -5.499 1.174 0.000) 5.623 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.992 -0.296 0.000) 6.000 1.681 ( 5.877 0.107 0.000) 5.878 1.746 ( 8.300 -2.206 0.000) 8.588 1.798 ( 16.233 3.536 0.000) 16.614 2.005 ( 8.617 -0.049 0.000) 8.617 2.038 ( 6.472 -1.119 0.000) 6.568 2.142 ( 7.287 3.647 0.000) 8.149 2.192 ( 0.904 2.274 0.000) 2.447 2.226 ( -2.151 4.688 0.000) 5.158 2.354 ( -0.162 5.310 0.000) 5.312 2.448 ( -1.142 1.357 0.000) 1.774 2.472 ( 3.231 -0.523 0.000) 3.273 2.474 ( -2.766 -2.137 0.000) 3.495 2.513 ( 1.280 3.901 0.000) 4.106 2.604 ( 3.847 1.767 0.000) 4.233 2.693 ( 0.298 -1.012 0.000) 1.055 2.700 ( -3.022 -1.244 0.000) 3.268 2.755 ( 2.923 0.195 0.000) 2.930 2.791 ( 2.143 -0.788 0.000) 2.284 2.842 ( 0.064 -1.913 0.000) 1.914 2.975 ( -0.547 -1.009 0.000) 1.147 3.006 ( -1.063 2.480 0.000) 2.698 3.257 ( 7.759 -0.695 0.000) 7.790 3.332 ( 11.001 -3.955 0.000) 11.690 3.358 ( 0.877 1.059 0.000) 1.375 3.387 ( 0.226 -0.797 0.000) 0.828 3.529 ( 8.966 3.129 0.000) 9.497 3.550 ( 8.444 1.791 0.000) 8.632 3.633 ( 7.298 -2.895 0.000) 7.852 3.659 ( 8.244 -1.139 0.000) 8.323 3.674 ( 12.847 0.764 0.000) 12.869 3.735 ( 2.801 -1.723 0.000) 3.288 3.789 ( 4.460 0.200 0.000) 4.465 3.881 ( -0.922 -2.358 0.000) 2.531 4.191 ( 0.052 -1.013 0.000) 1.015 4.228 ( -1.307 -0.074 0.000) 1.309 5.913 ( 2.580 2.135 0.000) 3.349 5.985 ( 4.053 -0.526 0.000) 4.087 6.557 ( 0.734 -1.023 0.000) 1.260 6.587 ( 5.469 0.959 0.000) 5.552 6.905 ( 6.601 3.011 0.000) 7.255 6.988 ( 5.201 4.646 0.000) 6.974 7.067 ( 2.751 2.628 0.000) 3.804 7.084 ( 5.573 0.342 0.000) 5.583 7.246 ( 3.691 -1.947 0.000) 4.173 7.283 ( 4.148 -4.641 0.000) 6.225 7.455 ( 3.082 -0.199 0.000) 3.089 7.517 ( 6.964 0.531 0.000) 6.984 7.735 ( 1.595 -1.175 0.000) 1.981 7.821 ( 0.433 -0.304 0.000) 0.529 8.028 ( -0.394 -0.799 0.000) 0.891 8.114 ( -0.650 0.706 0.000) 0.960 8.122 ( 0.110 1.484 0.000) 1.488 8.195 ( -2.319 0.125 0.000) 2.323 8.348 ( -5.155 2.948 0.000) 5.939 8.525 ( -7.270 4.483 0.000) 8.541 8.619 ( -3.895 3.945 0.000) 5.544 8.694 ( -6.292 4.366 0.000) 7.658 9.199 ( 9.032 0.113 0.000) 9.033 9.229 ( 7.863 -1.067 0.000) 7.935 9.392 ( 5.744 1.295 0.000) 5.888 9.405 ( 4.843 0.727 0.000) 4.897 9.475 ( 8.835 -1.868 0.000) 9.031 9.554 ( 7.074 -2.815 0.000) 7.613 10.062 ( 0.395 -0.840 0.000) 0.928 10.106 ( -2.394 0.224 0.000) 2.405 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 1.824 0.583 0.000) 1.915 1.755 ( 2.351 -0.450 0.000) 2.393 1.954 ( 9.200 -0.980 0.000) 9.252 2.033 ( 8.920 4.328 0.000) 9.915 2.103 ( -0.971 5.280 0.000) 5.368 2.134 ( 3.693 2.467 0.000) 4.441 2.148 ( 0.789 3.410 0.000) 3.500 2.211 ( 2.757 0.027 0.000) 2.757 2.246 ( 3.304 -0.326 0.000) 3.320 2.313 ( -1.380 2.550 0.000) 2.899 2.396 ( -3.209 0.941 0.000) 3.344 2.429 ( -2.562 -1.544 0.000) 2.992 2.494 ( 1.850 2.602 0.000) 3.193 2.555 ( 2.774 3.154 0.000) 4.200 2.655 ( -1.959 -2.684 0.000) 3.323 2.661 ( 2.327 -0.099 0.000) 2.329 2.702 ( 0.482 -0.148 0.000) 0.504 2.778 ( 0.486 1.552 0.000) 1.626 2.821 ( 0.464 -2.226 0.000) 2.273 2.861 ( -0.232 -3.706 0.000) 3.713 2.951 ( -1.633 0.829 0.000) 1.832 2.954 ( -2.590 1.041 0.000) 2.792 3.336 ( -0.608 -0.192 0.000) 0.638 3.343 ( -1.278 0.757 0.000) 1.485 3.376 ( 2.456 -0.915 0.000) 2.621 3.498 ( 3.714 0.993 0.000) 3.844 3.522 ( -3.721 2.216 0.000) 4.331 3.575 ( -1.874 2.979 0.000) 3.520 3.737 ( 3.675 -2.386 0.000) 4.382 3.788 ( 2.962 -0.858 0.000) 3.084 3.913 ( 9.242 1.341 0.000) 9.339 3.931 ( 11.231 -1.056 0.000) 11.280 3.961 ( 9.272 -0.583 0.000) 9.290 3.972 ( 7.683 -2.909 0.000) 8.215 4.212 ( 0.983 -1.691 0.000) 1.956 4.219 ( 0.014 -0.983 0.000) 0.983 5.936 ( 1.329 2.721 0.000) 3.029 6.081 ( 4.546 -0.863 0.000) 4.627 6.601 ( 2.277 -2.487 0.000) 3.372 6.684 ( 4.580 0.395 0.000) 4.597 6.973 ( 2.426 5.276 0.000) 5.807 7.021 ( 1.295 5.593 0.000) 5.741 7.111 ( 2.639 -0.346 0.000) 2.662 7.178 ( 3.714 -0.991 0.000) 3.844 7.356 ( 5.859 -0.900 0.000) 5.928 7.385 ( 4.161 -2.743 0.000) 4.983 7.530 ( 4.060 -0.404 0.000) 4.080 7.638 ( 5.317 1.467 0.000) 5.515 7.764 ( 0.809 -0.667 0.000) 1.049 7.817 ( -0.685 0.018 0.000) 0.685 8.026 ( -0.251 -0.865 0.000) 0.900 8.093 ( -0.881 1.103 0.000) 1.411 8.103 ( -1.249 1.592 0.000) 2.023 8.174 ( 0.307 0.935 0.000) 0.984 8.236 ( -4.338 1.835 0.000) 4.710 8.366 ( -6.201 2.646 0.000) 6.742 8.513 ( -4.395 3.162 0.000) 5.414 8.548 ( -5.995 2.808 0.000) 6.620 9.339 ( 5.115 0.138 0.000) 5.117 9.355 ( 4.443 0.044 0.000) 4.443 9.467 ( 2.859 0.321 0.000) 2.877 9.474 ( 2.631 0.401 0.000) 2.661 9.649 ( 6.948 -0.573 0.000) 6.972 9.700 ( 5.680 -1.746 0.000) 5.942 10.085 ( 0.852 -0.404 0.000) 0.943 10.090 ( 0.732 -0.731 0.000) 1.034 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.568 0.228 0.000) 0.612 1.789 ( 0.842 -0.222 0.000) 0.871 2.021 ( -1.784 2.848 0.000) 3.361 2.092 ( 4.358 0.452 0.000) 4.381 2.105 ( 1.042 1.983 0.000) 2.240 2.142 ( -0.745 0.473 0.000) 0.883 2.191 ( 2.282 1.597 0.000) 2.785 2.260 ( -0.402 0.919 0.000) 1.003 2.288 ( 3.748 0.386 0.000) 3.768 2.305 ( 0.366 -0.974 0.000) 1.040 2.334 ( -2.082 0.331 0.000) 2.108 2.383 ( -2.576 -0.919 0.000) 2.735 2.524 ( 1.770 1.736 0.000) 2.479 2.569 ( 0.149 0.765 0.000) 0.779 2.651 ( -0.060 -1.031 0.000) 1.033 2.690 ( 0.369 -0.540 0.000) 0.654 2.719 ( 0.982 0.171 0.000) 0.997 2.773 ( -0.145 0.534 0.000) 0.553 2.839 ( 0.355 -0.775 0.000) 0.852 2.870 ( -0.414 -1.876 0.000) 1.921 2.906 ( -1.067 1.173 0.000) 1.586 2.919 ( -1.150 -0.187 0.000) 1.165 3.303 ( -1.339 -0.486 0.000) 1.424 3.317 ( -0.738 0.286 0.000) 0.791 3.448 ( 3.196 1.116 0.000) 3.385 3.456 ( -1.633 0.703 0.000) 1.778 3.515 ( -0.448 0.959 0.000) 1.058 3.524 ( -1.680 -0.498 0.000) 1.753 3.798 ( 1.426 -0.985 0.000) 1.734 3.819 ( 0.382 -0.267 0.000) 0.466 4.034 ( 3.328 0.772 0.000) 3.416 4.080 ( 2.922 0.095 0.000) 2.923 4.089 ( 4.024 -0.021 0.000) 4.024 4.118 ( 3.967 -0.463 0.000) 3.994 4.233 ( 0.460 -1.036 0.000) 1.133 4.238 ( 0.560 -1.012 0.000) 1.157 5.942 ( 0.472 1.188 0.000) 1.278 6.152 ( 1.852 -0.387 0.000) 1.892 6.654 ( 1.300 -1.471 0.000) 1.963 6.756 ( 2.204 -0.229 0.000) 2.216 6.966 ( -0.116 2.616 0.000) 2.619 7.001 ( -0.291 2.567 0.000) 2.584 7.158 ( 1.314 -0.336 0.000) 1.356 7.237 ( 1.499 -0.540 0.000) 1.594 7.457 ( 3.095 -0.306 0.000) 3.110 7.465 ( 2.232 -0.863 0.000) 2.393 7.601 ( 2.205 -0.197 0.000) 2.214 7.701 ( 1.668 0.883 0.000) 1.887 7.776 ( 0.191 -0.177 0.000) 0.260 7.803 ( -0.456 0.002 0.000) 0.456 8.027 ( -0.171 -0.871 0.000) 0.888 8.068 ( -0.783 1.258 0.000) 1.482 8.070 ( -1.027 0.454 0.000) 1.123 8.169 ( -0.339 1.490 0.000) 1.528 8.176 ( -0.998 0.218 0.000) 1.021 8.276 ( -1.654 0.258 0.000) 1.674 8.426 ( -2.374 1.329 0.000) 2.721 8.444 ( -2.840 0.912 0.000) 2.983 9.404 ( 1.531 -0.008 0.000) 1.531 9.410 ( 1.362 0.195 0.000) 1.376 9.505 ( 0.983 -0.012 0.000) 0.983 9.507 ( 0.881 0.162 0.000) 0.896 9.748 ( 2.660 -0.099 0.000) 2.662 9.783 ( 1.880 -0.596 0.000) 1.972 10.103 ( 0.831 -0.075 0.000) 0.835 10.111 ( 0.382 -0.438 0.000) 0.581 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 21.309 -0.000 0.000) 21.309 0.991 ( 24.655 -0.000 0.000) 24.655 1.339 ( 11.603 -0.000 0.000) 11.603 1.540 ( 6.176 -0.000 0.000) 6.176 1.678 ( 6.960 -0.000 0.000) 6.960 1.745 ( 34.396 -0.000 0.000) 34.396 1.768 ( 0.757 -0.000 0.000) 0.757 1.896 ( 12.577 -0.000 0.000) 12.577 2.101 ( 13.710 -0.000 0.000) 13.710 2.221 ( 9.694 -0.000 0.000) 9.694 2.231 ( 6.729 -0.000 0.000) 6.729 2.280 ( 0.349 -0.000 0.000) 0.349 2.312 ( 10.695 -0.000 0.000) 10.695 2.399 ( 6.561 -0.000 0.000) 6.561 2.513 ( -1.255 0.000 0.000) 1.255 2.557 ( -0.431 0.000 0.000) 0.431 2.597 ( 11.966 -0.000 0.000) 11.966 2.629 ( -0.408 0.000 0.000) 0.408 2.730 ( -0.309 0.000 0.000) 0.309 2.759 ( 1.264 -0.000 0.000) 1.264 2.854 ( 2.103 -0.000 0.000) 2.103 2.886 ( 3.126 -0.000 0.000) 3.126 2.959 ( 10.596 -0.000 0.000) 10.596 2.965 ( 6.216 -0.000 0.000) 6.216 3.152 ( 1.706 -0.000 0.000) 1.706 3.172 ( 7.621 -0.000 0.000) 7.621 3.187 ( 7.415 -0.000 0.000) 7.415 3.201 ( 7.926 -0.000 0.000) 7.926 3.229 ( 3.552 -0.000 0.000) 3.552 3.284 ( 3.019 -0.000 0.000) 3.019 3.293 ( 7.270 -0.000 0.000) 7.270 3.724 ( 1.914 -0.000 0.000) 1.914 3.876 ( -2.113 0.000 0.000) 2.113 4.009 ( -2.016 0.000 0.000) 2.016 4.270 ( -3.448 0.000 0.000) 3.448 4.337 ( -3.099 0.000 0.000) 3.099 5.764 ( 3.965 -0.000 0.000) 3.965 6.009 ( -5.039 0.000 0.000) 5.039 6.416 ( 2.912 -0.000 0.000) 2.912 6.588 ( 3.839 -0.000 0.000) 3.839 6.609 ( 7.647 -0.000 0.000) 7.647 6.673 ( 10.408 -0.000 0.000) 10.408 6.815 ( 8.112 -0.000 0.000) 8.112 6.979 ( 2.935 -0.000 0.000) 2.935 7.005 ( 2.766 -0.000 0.000) 2.766 7.173 ( -1.531 0.000 0.000) 1.531 7.330 ( 1.374 -0.000 0.000) 1.374 7.401 ( 0.916 -0.000 0.000) 0.916 7.640 ( 1.249 -0.000 0.000) 1.249 7.725 ( 2.206 -0.000 0.000) 2.206 8.037 ( -0.864 0.000 0.000) 0.864 8.139 ( -0.762 0.000 0.000) 0.762 8.159 ( -1.599 0.000 0.000) 1.599 8.336 ( -3.964 0.000 0.000) 3.964 8.559 ( -1.470 0.000 0.000) 1.470 8.686 ( 7.866 -0.000 0.000) 7.866 8.772 ( 8.557 -0.000 0.000) 8.557 8.804 ( 2.623 -0.000 0.000) 2.623 8.895 ( 1.392 -0.000 0.000) 1.392 8.982 ( -2.343 0.000 0.000) 2.343 8.984 ( 3.854 -0.000 0.000) 3.854 9.129 ( 6.534 -0.000 0.000) 6.534 9.247 ( 4.743 -0.000 0.000) 4.743 9.319 ( 2.699 -0.000 0.000) 2.699 10.101 ( -2.000 0.000 0.000) 2.000 10.339 ( -7.486 0.000 0.000) 7.486 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 18.127 -1.349 0.000) 18.177 1.456 ( 21.821 0.927 0.000) 21.841 1.559 ( 8.882 -0.149 0.000) 8.884 1.626 ( 3.601 -0.097 0.000) 3.603 1.832 ( 6.188 -0.454 0.000) 6.205 1.843 ( 8.958 -1.170 0.000) 9.034 2.036 ( 9.072 1.786 0.000) 9.246 2.202 ( 1.776 0.946 0.000) 2.012 2.280 ( 2.913 2.662 0.000) 3.946 2.326 ( 8.997 -3.216 0.000) 9.555 2.408 ( 4.952 3.194 0.000) 5.893 2.446 ( 5.892 0.080 0.000) 5.892 2.466 ( 0.415 -0.419 0.000) 0.589 2.499 ( 5.662 -1.860 0.000) 5.960 2.571 ( 2.919 1.804 0.000) 3.431 2.584 ( 11.939 -0.872 0.000) 11.971 2.646 ( 1.479 -1.629 0.000) 2.200 2.716 ( 0.960 -0.228 0.000) 0.986 2.767 ( 3.742 3.391 0.000) 5.050 2.820 ( 3.661 -2.421 0.000) 4.389 2.927 ( 3.942 -0.395 0.000) 3.962 2.930 ( 6.727 -0.223 0.000) 6.730 3.036 ( 1.514 1.050 0.000) 1.843 3.165 ( 6.145 -1.453 0.000) 6.314 3.260 ( 10.979 -1.335 0.000) 11.060 3.306 ( 9.613 2.853 0.000) 10.028 3.314 ( 5.370 0.990 0.000) 5.460 3.348 ( 6.710 -3.288 0.000) 7.472 3.409 ( 14.041 -0.831 0.000) 14.065 3.420 ( 6.511 0.045 0.000) 6.511 3.466 ( 10.073 -1.186 0.000) 10.143 3.762 ( 1.879 0.513 0.000) 1.947 3.805 ( -4.806 0.594 0.000) 4.842 3.941 ( -4.526 0.399 0.000) 4.544 4.208 ( -2.441 -0.013 0.000) 2.441 4.274 ( -2.956 0.108 0.000) 2.958 5.854 ( 4.684 0.063 0.000) 4.685 5.946 ( -0.701 0.262 0.000) 0.749 6.493 ( 4.818 0.270 0.000) 4.825 6.575 ( -2.231 0.307 0.000) 2.252 6.770 ( 8.314 0.083 0.000) 8.315 6.873 ( 9.255 0.207 0.000) 9.257 7.004 ( 8.682 5.009 0.000) 10.023 7.067 ( 4.669 4.333 0.000) 6.370 7.083 ( 5.953 -5.993 0.000) 8.448 7.162 ( -0.627 -3.580 0.000) 3.634 7.391 ( 4.932 -0.188 0.000) 4.936 7.415 ( 1.032 0.172 0.000) 1.046 7.679 ( 2.242 -0.570 0.000) 2.313 7.780 ( 2.613 -0.562 0.000) 2.673 8.025 ( -0.488 -0.376 0.000) 0.616 8.130 ( -0.261 0.177 0.000) 0.316 8.136 ( -0.566 0.194 0.000) 0.598 8.259 ( -3.642 0.090 0.000) 3.643 8.488 ( -4.623 1.229 0.000) 4.784 8.730 ( -6.594 1.905 0.000) 6.864 8.731 ( -1.835 1.542 0.000) 2.397 8.881 ( -5.941 2.334 0.000) 6.383 8.988 ( 11.817 0.013 0.000) 11.817 9.022 ( 9.536 -1.315 0.000) 9.626 9.188 ( 12.856 -0.767 0.000) 12.878 9.296 ( 8.684 0.757 0.000) 8.717 9.341 ( 4.534 -0.186 0.000) 4.538 9.385 ( 3.984 -1.632 0.000) 4.305 10.065 ( -1.419 -0.150 0.000) 1.427 10.199 ( -6.007 0.432 0.000) 6.023 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 7.813 -0.385 0.000) 7.823 1.686 ( 4.707 0.665 0.000) 4.754 1.725 ( 8.588 -1.515 0.000) 8.720 1.832 ( 16.556 2.244 0.000) 16.707 2.005 ( 9.548 -0.021 0.000) 9.548 2.025 ( 8.015 -0.953 0.000) 8.072 2.179 ( 6.254 2.561 0.000) 6.758 2.215 ( 0.343 1.552 0.000) 1.590 2.269 ( -1.507 2.739 0.000) 3.126 2.395 ( -1.822 1.694 0.000) 2.488 2.449 ( -1.994 -1.221 0.000) 2.338 2.462 ( -1.713 0.411 0.000) 1.762 2.477 ( 5.286 1.384 0.000) 5.464 2.552 ( 1.614 2.826 0.000) 3.254 2.624 ( 2.629 1.621 0.000) 3.088 2.680 ( 0.925 -1.125 0.000) 1.456 2.683 ( -2.766 -1.588 0.000) 3.190 2.736 ( 2.045 -1.979 0.000) 2.846 2.802 ( 1.213 1.275 0.000) 1.760 2.828 ( -0.945 -0.683 0.000) 1.166 2.963 ( -0.370 -0.761 0.000) 0.846 3.031 ( -1.142 1.565 0.000) 1.937 3.249 ( 7.536 -0.459 0.000) 7.550 3.291 ( 14.267 -3.004 0.000) 14.580 3.368 ( 0.688 0.567 0.000) 0.892 3.381 ( -0.328 -0.316 0.000) 0.455 3.556 ( 10.882 1.687 0.000) 11.012 3.568 ( 14.389 1.322 0.000) 14.450 3.603 ( 9.263 -2.185 0.000) 9.517 3.654 ( 7.576 0.168 0.000) 7.578 3.677 ( 5.656 -0.299 0.000) 5.664 3.721 ( 5.322 -0.568 0.000) 5.352 3.794 ( 2.630 0.503 0.000) 2.677 3.856 ( -2.400 -1.948 0.000) 3.091 4.182 ( -0.369 -0.598 0.000) 0.702 4.227 ( -1.615 -0.024 0.000) 1.616 5.932 ( 3.239 1.279 0.000) 3.483 5.980 ( 3.729 -0.276 0.000) 3.739 6.546 ( -0.295 -0.765 0.000) 0.820 6.595 ( 5.288 0.481 0.000) 5.310 6.927 ( 7.414 1.029 0.000) 7.485 7.027 ( 6.517 1.814 0.000) 6.765 7.105 ( 4.406 3.591 0.000) 5.684 7.106 ( 1.261 3.803 0.000) 4.007 7.219 ( 4.679 -2.724 0.000) 5.415 7.227 ( 5.076 -5.067 0.000) 7.173 7.453 ( 2.861 -0.120 0.000) 2.863 7.521 ( 7.479 0.278 0.000) 7.484 7.725 ( 1.930 -0.569 0.000) 2.012 7.818 ( 0.775 -0.189 0.000) 0.798 8.020 ( -0.245 -0.437 0.000) 0.501 8.121 ( -0.550 0.443 0.000) 0.706 8.137 ( 0.850 1.124 0.000) 1.409 8.194 ( -2.736 -0.261 0.000) 2.748 8.375 ( -5.675 1.720 0.000) 5.930 8.566 ( -8.130 2.654 0.000) 8.552 8.654 ( -4.403 2.182 0.000) 4.914 8.734 ( -7.250 2.529 0.000) 7.678 9.202 ( 9.134 0.371 0.000) 9.141 9.218 ( 8.679 -0.953 0.000) 8.731 9.409 ( 5.337 1.637 0.000) 5.583 9.415 ( 4.312 0.927 0.000) 4.410 9.455 ( 9.860 -1.641 0.000) 9.996 9.522 ( 7.726 -2.594 0.000) 8.150 10.054 ( 0.298 -0.497 0.000) 0.579 10.108 ( -2.782 0.125 0.000) 2.785 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.704 0.451 0.000) 1.762 1.750 ( 2.382 -0.354 0.000) 2.408 1.945 ( 10.037 -0.651 0.000) 10.059 2.074 ( 8.597 2.941 0.000) 9.086 2.148 ( 3.615 2.426 0.000) 4.353 2.160 ( 4.619 2.044 0.000) 5.051 2.191 ( -2.778 4.087 0.000) 4.942 2.210 ( 1.351 -0.149 0.000) 1.360 2.248 ( 1.502 0.547 0.000) 1.599 2.335 ( -2.768 1.383 0.000) 3.094 2.401 ( -3.344 -0.204 0.000) 3.350 2.416 ( -2.376 -0.408 0.000) 2.410 2.520 ( 1.262 2.165 0.000) 2.506 2.596 ( 1.769 3.556 0.000) 3.972 2.619 ( -1.598 -3.343 0.000) 3.705 2.660 ( 1.464 -0.109 0.000) 1.468 2.701 ( 1.020 -0.021 0.000) 1.020 2.780 ( 0.637 -1.920 0.000) 2.023 2.807 ( 0.071 0.264 0.000) 0.273 2.829 ( 0.611 -1.874 0.000) 1.971 2.941 ( -1.954 -0.716 0.000) 2.081 2.982 ( -2.339 2.058 0.000) 3.116 3.331 ( -2.044 -0.508 0.000) 2.107 3.351 ( -1.507 0.571 0.000) 1.612 3.366 ( 4.579 -0.829 0.000) 4.654 3.506 ( 4.856 0.697 0.000) 4.906 3.543 ( -4.813 1.581 0.000) 5.066 3.607 ( -4.818 2.159 0.000) 5.279 3.717 ( 4.768 -1.104 0.000) 4.894 3.779 ( 3.300 -0.655 0.000) 3.364 3.908 ( 11.464 -1.231 0.000) 11.530 3.937 ( 9.934 -2.750 0.000) 10.307 3.938 ( 10.214 1.439 0.000) 10.315 3.958 ( 9.014 -0.323 0.000) 9.020 4.194 ( 0.890 -1.362 0.000) 1.627 4.210 ( -0.373 -0.641 0.000) 0.741 5.963 ( 0.930 2.087 0.000) 2.285 6.073 ( 4.639 -0.601 0.000) 4.678 6.576 ( 2.213 -1.958 0.000) 2.954 6.688 ( 4.169 0.260 0.000) 4.177 7.027 ( 2.676 3.958 0.000) 4.778 7.081 ( 0.356 4.856 0.000) 4.869 7.108 ( 1.230 -0.282 0.000) 1.262 7.167 ( 3.413 -0.963 0.000) 3.546 7.346 ( 6.485 -0.774 0.000) 6.531 7.356 ( 5.638 -2.383 0.000) 6.121 7.526 ( 4.097 -0.292 0.000) 4.108 7.652 ( 5.361 0.930 0.000) 5.441 7.758 ( 1.113 -0.387 0.000) 1.178 7.816 ( -0.721 -0.069 0.000) 0.724 8.017 ( -0.354 -0.570 0.000) 0.671 8.105 ( -0.557 0.878 0.000) 1.039 8.120 ( -1.946 1.415 0.000) 2.406 8.182 ( 1.318 0.429 0.000) 1.386 8.254 ( -5.282 1.286 0.000) 5.436 8.392 ( -7.621 1.901 0.000) 7.854 8.543 ( -5.236 2.092 0.000) 5.638 8.575 ( -7.074 1.934 0.000) 7.333 9.341 ( 5.028 0.120 0.000) 5.029 9.356 ( 4.774 0.043 0.000) 4.774 9.472 ( 2.503 0.424 0.000) 2.538 9.478 ( 2.459 0.335 0.000) 2.481 9.644 ( 7.458 -0.191 0.000) 7.460 9.680 ( 6.306 -1.741 0.000) 6.542 10.078 ( 1.494 -0.638 0.000) 1.624 10.085 ( 0.205 -0.208 0.000) 0.292 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.328 0.193 0.000) 0.380 1.787 ( 1.071 -0.166 0.000) 1.083 2.062 ( -3.878 4.198 0.000) 5.715 2.096 ( 4.736 0.265 0.000) 4.744 2.131 ( -0.479 2.637 0.000) 2.680 2.147 ( -2.124 0.397 0.000) 2.160 2.204 ( 0.072 0.585 0.000) 0.590 2.267 ( -1.264 0.201 0.000) 1.280 2.292 ( 3.897 0.367 0.000) 3.915 2.295 ( 1.130 -0.777 0.000) 1.371 2.339 ( -2.428 0.426 0.000) 2.466 2.373 ( -2.051 -0.932 0.000) 2.253 2.519 ( -1.681 -2.368 0.000) 2.904 2.570 ( -0.771 -0.400 0.000) 0.869 2.655 ( 1.753 1.525 0.000) 2.324 2.683 ( 0.706 -0.579 0.000) 0.913 2.721 ( 0.872 0.239 0.000) 0.904 2.776 ( -0.722 0.145 0.000) 0.737 2.827 ( 1.165 -1.049 0.000) 1.568 2.863 ( 2.231 0.495 0.000) 2.286 2.903 ( -2.000 -0.680 0.000) 2.113 2.934 ( -1.019 1.698 0.000) 1.980 3.295 ( -1.106 -0.835 0.000) 1.385 3.320 ( -1.075 0.178 0.000) 1.089 3.461 ( 3.916 1.073 0.000) 4.061 3.463 ( -2.409 0.489 0.000) 2.458 3.504 ( -4.147 -1.388 0.000) 4.374 3.537 ( -0.358 1.313 0.000) 1.361 3.790 ( 2.339 -0.420 0.000) 2.377 3.817 ( 0.947 -0.082 0.000) 0.950 4.042 ( 2.670 0.712 0.000) 2.764 4.082 ( 3.148 0.235 0.000) 3.157 4.088 ( 4.017 -0.065 0.000) 4.017 4.111 ( 4.498 -0.714 0.000) 4.555 4.222 ( 1.208 -0.899 0.000) 1.505 4.227 ( 1.572 -0.861 0.000) 1.792 5.954 ( -0.785 0.966 0.000) 1.245 6.148 ( 2.212 -0.366 0.000) 2.242 6.638 ( 2.639 -1.216 0.000) 2.905 6.753 ( 2.145 -0.217 0.000) 2.156 6.994 ( -2.587 2.360 0.000) 3.502 7.027 ( -2.944 1.964 0.000) 3.538 7.152 ( 1.608 -0.674 0.000) 1.744 7.230 ( 2.002 -0.583 0.000) 2.085 7.457 ( 3.684 0.265 0.000) 3.693 7.460 ( 3.501 -0.104 0.000) 3.502 7.598 ( 2.313 -0.271 0.000) 2.329 7.709 ( 0.797 0.545 0.000) 0.965 7.774 ( 0.406 -0.100 0.000) 0.418 7.802 ( -0.537 -0.179 0.000) 0.566 8.015 ( -0.230 -1.035 0.000) 1.060 8.075 ( -1.636 0.412 0.000) 1.687 8.088 ( -0.612 2.004 0.000) 2.095 8.175 ( -1.828 -0.385 0.000) 1.868 8.190 ( -0.852 2.062 0.000) 2.232 8.275 ( -2.641 -0.489 0.000) 2.686 8.439 ( -3.753 0.874 0.000) 3.853 8.452 ( -3.940 0.551 0.000) 3.979 9.404 ( 1.488 0.006 0.000) 1.488 9.413 ( 1.239 0.180 0.000) 1.252 9.505 ( 0.930 0.058 0.000) 0.931 9.509 ( 0.734 0.110 0.000) 0.742 9.748 ( 2.842 0.113 0.000) 2.844 9.776 ( 2.506 -0.689 0.000) 2.599 10.102 ( 0.967 -0.066 0.000) 0.969 10.106 ( 0.777 -0.358 0.000) 0.855 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -0.812 -0.209 0.000) 0.838 1.792 ( -0.617 0.230 0.000) 0.658 2.000 ( -0.907 -0.785 0.000) 1.199 2.086 ( -4.064 -0.588 0.000) 4.106 2.087 ( -3.129 -1.254 0.000) 3.371 2.137 ( -0.543 -0.401 0.000) 0.675 2.170 ( -4.112 -2.064 0.000) 4.600 2.246 ( 0.389 -1.519 0.000) 1.568 2.284 ( -3.581 -0.310 0.000) 3.594 2.316 ( -0.434 0.911 0.000) 1.009 2.331 ( 1.675 -0.246 0.000) 1.693 2.393 ( 3.108 0.778 0.000) 3.204 2.488 ( -2.946 -3.948 0.000) 4.926 2.557 ( -1.263 -1.225 0.000) 1.759 2.669 ( 0.727 1.610 0.000) 1.766 2.694 ( 0.179 0.216 0.000) 0.281 2.718 ( -1.190 0.109 0.000) 1.195 2.765 ( -0.513 -0.691 0.000) 0.861 2.850 ( 1.044 1.381 0.000) 1.731 2.885 ( -0.236 -1.938 0.000) 1.952 2.898 ( 1.920 2.725 0.000) 3.333 2.930 ( 1.481 1.236 0.000) 1.929 3.305 ( 1.751 -0.035 0.000) 1.752 3.313 ( 0.413 -0.362 0.000) 0.550 3.434 ( -3.230 -1.604 0.000) 3.607 3.447 ( 0.784 -0.759 0.000) 1.091 3.498 ( -1.479 -1.168 0.000) 1.885 3.536 ( 1.875 1.017 0.000) 2.133 3.811 ( -0.392 1.221 0.000) 1.282 3.823 ( 0.002 0.459 0.000) 0.459 4.025 ( -4.114 -0.690 0.000) 4.172 4.080 ( -2.939 0.008 0.000) 2.939 4.089 ( -3.752 0.000 0.000) 3.752 4.122 ( -3.178 0.150 0.000) 3.182 4.244 ( 0.330 0.928 0.000) 0.985 4.249 ( 0.292 0.935 0.000) 0.980 5.928 ( -1.693 -1.142 0.000) 2.042 6.156 ( -1.442 0.308 0.000) 1.474 6.670 ( 0.110 1.389 0.000) 1.393 6.758 ( -2.101 0.159 0.000) 2.107 6.937 ( -2.481 -2.305 0.000) 3.387 6.971 ( -2.308 -2.573 0.000) 3.456 7.160 ( -1.112 -0.032 0.000) 1.113 7.242 ( -0.973 0.420 0.000) 1.060 7.464 ( -2.648 0.963 0.000) 2.818 7.478 ( -1.225 1.421 0.000) 1.876 7.602 ( -2.079 -0.067 0.000) 2.081 7.690 ( -2.585 -1.037 0.000) 2.786 7.778 ( 0.071 0.228 0.000) 0.239 7.802 ( 0.397 -0.222 0.000) 0.454 8.027 ( 0.768 -0.838 0.000) 1.136 8.065 ( 0.623 -0.350 0.000) 0.715 8.068 ( 0.079 1.252 0.000) 1.255 8.157 ( -0.762 -0.579 0.000) 0.957 8.170 ( 0.414 -0.870 0.000) 0.964 8.269 ( 0.866 -0.945 0.000) 1.282 8.410 ( 0.882 -1.549 0.000) 1.783 8.432 ( 1.763 -1.068 0.000) 2.061 9.404 ( -1.526 0.013 0.000) 1.526 9.408 ( -1.529 -0.153 0.000) 1.536 9.505 ( -0.950 0.036 0.000) 0.951 9.506 ( -1.067 -0.134 0.000) 1.076 9.750 ( -2.470 0.239 0.000) 2.482 9.789 ( -1.303 0.421 0.000) 1.370 10.104 ( -0.669 0.074 0.000) 0.673 10.116 ( -0.011 0.411 0.000) 0.411 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -1.947 -0.570 0.000) 2.029 1.760 ( -2.354 0.429 0.000) 2.393 1.966 ( -7.982 1.163 0.000) 8.067 1.980 ( -8.948 -5.006 0.000) 10.254 2.041 ( 0.945 -5.280 0.000) 5.364 2.106 ( -3.512 -2.461 0.000) 4.289 2.111 ( -2.099 -3.093 0.000) 3.738 2.210 ( -3.415 -0.047 0.000) 3.415 2.254 ( -4.551 0.842 0.000) 4.628 2.280 ( 0.224 -3.069 0.000) 3.077 2.383 ( 2.544 -1.258 0.000) 2.838 2.447 ( 3.041 1.616 0.000) 3.444 2.459 ( -1.713 -3.586 0.000) 3.974 2.532 ( -2.024 -1.006 0.000) 2.261 2.662 ( -3.083 0.254 0.000) 3.093 2.677 ( 1.193 1.211 0.000) 1.700 2.704 ( -0.046 0.163 0.000) 0.169 2.758 ( -1.157 -1.764 0.000) 2.110 2.851 ( 0.263 2.959 0.000) 2.971 2.904 ( 0.289 3.515 0.000) 3.526 2.915 ( 1.325 -3.523 0.000) 3.764 2.968 ( 2.714 1.552 0.000) 3.126 3.334 ( 1.027 -0.815 0.000) 1.311 3.336 ( -0.936 -0.144 0.000) 0.947 3.385 ( -0.242 0.596 0.000) 0.644 3.476 ( -2.389 -2.937 0.000) 3.786 3.495 ( 2.700 -2.396 0.000) 3.609 3.552 ( -0.609 -0.743 0.000) 0.961 3.766 ( -2.975 2.453 0.000) 3.856 3.797 ( -2.709 0.868 0.000) 2.845 3.893 ( -9.635 -1.698 0.000) 9.783 3.947 ( -9.787 1.362 0.000) 9.881 3.967 ( -8.360 0.513 0.000) 8.376 4.003 ( -6.667 2.564 0.000) 7.143 4.231 ( -1.038 1.625 0.000) 1.928 4.232 ( -0.444 1.171 0.000) 1.252 5.905 ( -1.718 -2.669 0.000) 3.174 6.092 ( -4.390 0.938 0.000) 4.489 6.629 ( -2.639 2.275 0.000) 3.484 6.679 ( -5.191 -0.471 0.000) 5.213 6.913 ( -2.878 -5.281 0.000) 6.015 6.959 ( -1.721 -5.143 0.000) 5.423 7.114 ( -3.062 0.140 0.000) 3.065 7.190 ( -3.705 1.043 0.000) 3.849 7.367 ( -5.588 1.147 0.000) 5.705 7.415 ( -3.363 2.517 0.000) 4.200 7.534 ( -4.099 0.133 0.000) 4.101 7.620 ( -5.210 -1.731 0.000) 5.491 7.773 ( -0.368 0.878 0.000) 0.952 7.816 ( 0.713 -0.144 0.000) 0.728 8.036 ( 0.245 0.842 0.000) 0.877 8.083 ( 1.135 -0.594 0.000) 1.281 8.087 ( 0.839 -1.079 0.000) 1.367 8.161 ( 0.351 -1.251 0.000) 1.300 8.214 ( 3.304 -2.169 0.000) 3.952 8.334 ( 4.605 -3.046 0.000) 5.521 8.474 ( 3.395 -3.675 0.000) 5.003 8.515 ( 4.809 -3.002 0.000) 5.669 9.338 ( -5.171 -0.112 0.000) 5.172 9.355 ( -4.108 -0.025 0.000) 4.108 9.465 ( -3.104 -0.167 0.000) 3.108 9.470 ( -2.729 -0.295 0.000) 2.745 9.656 ( -6.492 0.673 0.000) 6.527 9.718 ( -5.176 1.405 0.000) 5.363 10.088 ( -0.516 0.215 0.000) 0.559 10.100 ( -0.961 0.922 0.000) 1.331 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -4.274 -0.109 0.000) 4.275 1.683 ( -6.045 0.424 0.000) 6.060 1.758 ( -14.986 -3.351 0.000) 15.357 1.775 ( -8.325 3.078 0.000) 8.876 2.005 ( -7.079 -0.056 0.000) 7.079 2.038 ( -3.825 -1.761 0.000) 4.211 2.109 ( -8.574 -1.658 0.000) 8.733 2.165 ( 2.313 -6.065 0.000) 6.491 2.167 ( -1.766 -2.187 0.000) 2.811 2.290 ( -1.663 -5.318 0.000) 5.572 2.428 ( 0.859 -2.147 0.000) 2.313 2.467 ( -2.195 -3.732 0.000) 4.330 2.484 ( -0.491 1.054 0.000) 1.163 2.499 ( 3.032 2.218 0.000) 3.757 2.586 ( -4.928 -1.306 0.000) 5.098 2.702 ( 0.018 0.645 0.000) 0.646 2.709 ( 2.294 0.299 0.000) 2.313 2.731 ( -3.211 -2.824 0.000) 4.276 2.821 ( -1.900 3.461 0.000) 3.948 2.869 ( -1.731 2.641 0.000) 3.158 2.959 ( 0.666 -3.650 0.000) 3.711 3.003 ( 1.171 1.873 0.000) 2.209 3.260 ( -6.593 -0.359 0.000) 6.603 3.344 ( -1.414 -1.486 0.000) 2.051 3.371 ( -7.677 2.275 0.000) 8.007 3.402 ( -2.573 2.181 0.000) 3.373 3.492 ( -5.326 -2.881 0.000) 6.055 3.528 ( -3.950 -2.113 0.000) 4.480 3.664 ( -6.084 2.517 0.000) 6.584 3.665 ( -13.646 -0.662 0.000) 13.662 3.678 ( -8.927 2.167 0.000) 9.186 3.755 ( -4.635 1.698 0.000) 4.936 3.790 ( -6.243 0.305 0.000) 6.250 3.906 ( -0.834 2.137 0.000) 2.294 4.203 ( -0.563 1.168 0.000) 1.297 4.229 ( 0.829 0.156 0.000) 0.844 5.887 ( -1.761 -2.387 0.000) 2.966 5.992 ( -4.498 0.705 0.000) 4.553 6.566 ( -2.234 0.555 0.000) 2.302 6.573 ( -5.789 -1.405 0.000) 5.957 6.861 ( -5.367 -4.580 0.000) 7.055 6.935 ( -3.855 -4.434 0.000) 5.875 7.049 ( -3.734 -0.804 0.000) 3.819 7.088 ( -6.088 0.726 0.000) 6.131 7.263 ( -3.452 1.205 0.000) 3.656 7.331 ( -3.391 3.824 0.000) 5.111 7.456 ( -3.406 -0.009 0.000) 3.406 7.510 ( -6.182 -0.695 0.000) 6.221 7.752 ( -1.038 1.747 0.000) 2.032 7.824 ( 0.060 0.349 0.000) 0.355 8.038 ( 0.563 1.034 0.000) 1.178 8.106 ( 0.453 -1.255 0.000) 1.334 8.106 ( 0.846 -0.554 0.000) 1.011 8.191 ( 2.119 -0.703 0.000) 2.233 8.312 ( 4.499 -3.509 0.000) 5.706 8.469 ( 6.183 -5.277 0.000) 8.128 8.568 ( 3.265 -4.964 0.000) 5.942 8.640 ( 5.181 -5.029 0.000) 7.220 9.199 ( -8.774 0.038 0.000) 8.774 9.241 ( -7.007 1.006 0.000) 7.079 9.381 ( -5.794 -0.632 0.000) 5.829 9.398 ( -4.857 -0.492 0.000) 4.882 9.496 ( -8.280 1.715 0.000) 8.456 9.583 ( -6.823 2.178 0.000) 7.162 10.072 ( -0.495 0.945 0.000) 1.066 10.103 ( 1.840 -0.269 0.000) 1.860 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -15.072 5.189 0.000) 15.940 1.432 ( -18.314 0.498 0.000) 18.320 1.565 ( -5.257 0.223 0.000) 5.262 1.642 ( -5.060 1.902 0.000) 5.405 1.862 ( -5.653 2.172 0.000) 6.056 1.910 ( -8.816 2.941 0.000) 9.294 1.946 ( -8.102 -3.607 0.000) 8.869 2.151 ( -1.451 -3.052 0.000) 3.379 2.218 ( -1.271 -3.784 0.000) 3.992 2.280 ( -3.983 -6.430 0.000) 7.564 2.382 ( -4.731 -0.219 0.000) 4.736 2.444 ( -1.832 -3.234 0.000) 3.717 2.445 ( -8.619 -0.380 0.000) 8.627 2.520 ( 1.626 -0.308 0.000) 1.655 2.546 ( 1.269 0.999 0.000) 1.615 2.608 ( -12.616 -0.984 0.000) 12.655 2.691 ( -0.830 1.534 0.000) 1.744 2.702 ( -5.612 3.082 0.000) 6.403 2.768 ( 1.610 0.600 0.000) 1.718 2.830 ( -2.072 -0.553 0.000) 2.145 2.954 ( -4.521 1.780 0.000) 4.859 2.978 ( -1.728 -3.413 0.000) 3.826 2.981 ( -14.600 4.522 0.000) 15.284 3.237 ( -8.767 -2.869 0.000) 9.225 3.244 ( -7.119 4.680 0.000) 8.519 3.262 ( -8.382 -3.175 0.000) 8.963 3.336 ( -9.912 4.760 0.000) 10.996 3.418 ( -5.627 1.670 0.000) 5.869 3.448 ( -6.839 2.137 0.000) 7.165 3.448 ( -10.559 3.306 0.000) 11.065 3.516 ( -6.077 2.394 0.000) 6.531 3.730 ( -1.827 -2.147 0.000) 2.819 3.767 ( 2.424 -2.631 0.000) 3.577 3.918 ( 1.279 -1.459 0.000) 1.940 4.209 ( 1.616 0.051 0.000) 1.617 4.267 ( 2.748 -0.510 0.000) 2.795 5.851 ( -2.708 -0.163 0.000) 2.713 5.932 ( -1.080 -0.872 0.000) 1.388 6.474 ( -4.734 -1.442 0.000) 4.949 6.549 ( 0.075 -2.176 0.000) 2.177 6.755 ( -6.765 -1.641 0.000) 6.961 6.847 ( -6.977 -1.949 0.000) 7.244 6.936 ( -9.185 -0.486 0.000) 9.198 6.961 ( -6.419 -3.091 0.000) 7.124 7.229 ( -3.871 6.216 0.000) 7.322 7.238 ( 1.782 2.069 0.000) 2.730 7.403 ( -4.082 0.839 0.000) 4.167 7.405 ( -1.778 -0.642 0.000) 1.890 7.717 ( -1.059 2.708 0.000) 2.908 7.811 ( -0.756 1.851 0.000) 2.000 8.046 ( 0.943 1.328 0.000) 1.629 8.122 ( 0.528 -0.264 0.000) 0.590 8.125 ( 1.080 -0.611 0.000) 1.241 8.250 ( 3.233 -0.859 0.000) 3.345 8.419 ( 3.862 -4.260 0.000) 5.750 8.623 ( 5.506 -6.545 0.000) 8.553 8.646 ( 1.235 -5.296 0.000) 5.438 8.763 ( 3.468 -6.675 0.000) 7.522 8.998 ( -10.840 0.751 0.000) 10.866 9.077 ( -7.738 2.784 0.000) 8.224 9.217 ( -10.047 1.201 0.000) 10.119 9.281 ( -6.820 -0.198 0.000) 6.822 9.352 ( -5.387 0.849 0.000) 5.453 9.443 ( -5.611 2.309 0.000) 6.068 10.073 ( 1.057 0.549 0.000) 1.191 10.174 ( 4.636 -1.606 0.000) 4.906 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -17.955 8.590 0.000) 19.904 1.035 ( -19.380 6.250 0.000) 20.363 1.409 ( -8.195 5.553 0.000) 9.899 1.549 ( -4.464 0.974 0.000) 4.569 1.724 ( -7.906 1.113 0.000) 7.984 1.775 ( -2.470 0.972 0.000) 2.655 1.796 ( -8.701 -2.056 0.000) 8.940 1.935 ( -28.957 11.587 0.000) 31.189 2.121 ( -6.997 0.662 0.000) 7.028 2.177 ( -7.651 -2.149 0.000) 7.947 2.190 ( -10.458 -2.375 0.000) 10.725 2.288 ( -1.764 -0.202 0.000) 1.776 2.397 ( -6.297 1.118 0.000) 6.396 2.408 ( -5.240 -0.222 0.000) 5.244 2.535 ( 0.428 2.400 0.000) 2.438 2.551 ( -0.057 0.292 0.000) 0.297 2.581 ( -5.560 -0.144 0.000) 5.562 2.652 ( -1.106 1.497 0.000) 1.862 2.686 ( -8.146 0.226 0.000) 8.149 2.795 ( 0.236 0.936 0.000) 0.965 2.848 ( -3.617 -0.405 0.000) 3.640 2.848 ( -2.742 -2.470 0.000) 3.690 2.952 ( -3.175 -2.148 0.000) 3.833 2.994 ( -10.164 2.523 0.000) 10.473 3.074 ( -8.658 -2.161 0.000) 8.923 3.150 ( -6.445 -2.015 0.000) 6.753 3.193 ( -4.907 2.813 0.000) 5.656 3.217 ( -11.109 -1.069 0.000) 11.160 3.273 ( -5.535 1.945 0.000) 5.867 3.326 ( -3.006 7.059 0.000) 7.672 3.413 ( -3.184 4.404 0.000) 5.434 3.717 ( -0.648 -0.816 0.000) 1.042 3.827 ( 1.357 -4.186 0.000) 4.401 3.957 ( 1.009 -4.146 0.000) 4.267 4.261 ( 3.078 -0.771 0.000) 3.173 4.331 ( 3.051 -0.560 0.000) 3.102 5.786 ( -2.935 1.912 0.000) 3.503 5.965 ( 3.035 -3.390 0.000) 4.550 6.408 ( -2.537 -0.850 0.000) 2.675 6.571 ( -1.097 -2.400 0.000) 2.639 6.620 ( -6.782 0.761 0.000) 6.824 6.681 ( -9.951 0.215 0.000) 9.953 6.738 ( -9.678 -2.112 0.000) 9.906 6.831 ( -9.612 -7.486 0.000) 12.183 7.127 ( -1.733 8.991 0.000) 9.157 7.286 ( 3.927 4.156 0.000) 5.718 7.341 ( -1.617 1.139 0.000) 1.978 7.405 ( 2.084 -0.345 0.000) 2.112 7.684 ( -0.335 3.616 0.000) 3.631 7.781 ( -0.117 4.281 0.000) 4.282 8.061 ( 1.402 1.807 0.000) 2.287 8.134 ( 0.740 -0.167 0.000) 0.759 8.156 ( 1.669 -0.290 0.000) 1.694 8.324 ( 3.563 -1.113 0.000) 3.733 8.499 ( 1.113 -4.397 0.000) 4.536 8.645 ( -4.651 -3.370 0.000) 5.744 8.722 ( -1.188 -6.239 0.000) 6.351 8.787 ( -8.567 1.257 0.000) 8.659 8.844 ( 1.189 -7.307 0.000) 7.403 8.944 ( -2.879 3.327 0.000) 4.400 9.035 ( -5.873 1.958 0.000) 6.190 9.152 ( -5.125 0.837 0.000) 5.193 9.251 ( -4.758 -0.154 0.000) 4.760 9.335 ( -4.376 1.344 0.000) 4.578 10.103 ( 1.850 0.150 0.000) 1.856 10.299 ( 6.251 -3.210 0.000) 7.027 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -17.237 13.447 0.000) 21.862 0.608 ( -17.119 14.328 0.000) 22.324 1.167 ( -33.993 24.046 0.000) 41.638 1.225 ( -5.563 8.096 0.000) 9.823 1.369 ( -12.298 6.221 0.000) 13.782 1.602 ( -3.498 1.582 0.000) 3.839 1.665 ( -6.121 -3.828 0.000) 7.219 1.742 ( -1.220 -2.910 0.000) 3.155 1.906 ( -4.240 4.495 0.000) 6.179 2.039 ( -6.199 -0.844 0.000) 6.256 2.161 ( -0.322 -2.625 0.000) 2.645 2.208 ( -5.665 6.722 0.000) 8.791 2.244 ( -8.858 1.182 0.000) 8.937 2.309 ( -0.165 2.537 0.000) 2.542 2.366 ( -10.099 1.567 0.000) 10.219 2.563 ( 0.834 -1.354 0.000) 1.590 2.572 ( 3.312 2.312 0.000) 4.039 2.655 ( 1.577 0.142 0.000) 1.584 2.657 ( 0.554 -5.094 0.000) 5.124 2.759 ( -3.928 -0.696 0.000) 3.989 2.790 ( -3.359 0.519 0.000) 3.399 2.793 ( -3.759 -1.539 0.000) 4.061 2.810 ( -7.210 1.392 0.000) 7.343 2.882 ( -1.916 1.839 0.000) 2.656 2.991 ( -3.352 -3.843 0.000) 5.100 3.001 ( -6.918 -1.906 0.000) 7.175 3.069 ( -4.853 1.722 0.000) 5.150 3.071 ( -7.283 -4.360 0.000) 8.488 3.201 ( -1.075 -0.208 0.000) 1.095 3.257 ( 0.012 8.119 0.000) 8.119 3.359 ( 0.657 3.481 0.000) 3.542 3.706 ( -0.315 1.250 0.000) 1.289 3.865 ( 0.278 -3.780 0.000) 3.790 4.005 ( 1.874 -3.516 0.000) 3.984 4.326 ( 2.566 -1.014 0.000) 2.759 4.385 ( 1.881 -0.442 0.000) 1.932 5.726 ( -1.657 2.521 0.000) 3.016 6.069 ( 4.090 -5.531 0.000) 6.879 6.380 ( -0.709 0.051 0.000) 0.711 6.415 ( -10.518 2.182 0.000) 10.742 6.490 ( -5.196 1.681 0.000) 5.461 6.501 ( -6.903 1.478 0.000) 7.059 6.640 ( -17.595 -15.015 0.000) 23.131 6.691 ( 0.053 -6.215 0.000) 6.216 7.056 ( -0.183 10.402 0.000) 10.404 7.320 ( 1.241 1.925 0.000) 2.290 7.325 ( 0.136 0.148 0.000) 0.201 7.521 ( 10.831 4.469 0.000) 11.717 7.670 ( 2.619 5.770 0.000) 6.336 7.775 ( 3.990 8.901 0.000) 9.755 8.077 ( 1.249 2.530 0.000) 2.821 8.160 ( 1.767 -0.571 0.000) 1.858 8.190 ( 1.472 -0.211 0.000) 1.487 8.397 ( 2.764 -1.584 0.000) 3.186 8.474 ( -6.049 -2.624 0.000) 6.594 8.529 ( -5.011 0.214 0.000) 5.016 8.642 ( -7.351 -3.450 0.000) 8.121 8.694 ( -0.908 -0.179 0.000) 0.926 8.866 ( -4.881 -6.260 0.000) 7.939 8.917 ( 0.494 1.616 0.000) 1.690 8.988 ( 1.596 -0.999 0.000) 1.883 9.086 ( -2.292 -0.671 0.000) 2.389 9.163 ( -4.923 -2.004 0.000) 5.315 9.250 ( -3.516 0.542 0.000) 3.558 10.136 ( 1.337 0.009 0.000) 1.337 10.438 ( 4.970 -4.178 0.000) 6.493 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 0.000 22.545 0.000) 22.545 0.280 ( 0.000 24.417 0.000) 24.417 0.496 ( 0.000 43.593 0.000) 43.593 1.137 ( 0.000 3.805 0.000) 3.805 1.140 ( 0.000 11.253 0.000) 11.253 1.554 ( 0.000 3.057 0.000) 3.057 1.638 ( -0.000 -7.949 0.000) 7.949 1.757 ( -0.000 -4.532 0.000) 4.532 1.862 ( 0.000 4.792 0.000) 4.792 1.973 ( 0.000 0.009 0.000) 0.009 2.089 ( 0.000 10.749 0.000) 10.749 2.131 ( 0.000 0.700 0.000) 0.700 2.172 ( -0.000 -1.876 0.000) 1.876 2.244 ( -0.000 -0.768 0.000) 0.768 2.310 ( 0.000 2.080 0.000) 2.080 2.582 ( -0.000 -1.171 0.000) 1.171 2.607 ( 0.000 2.872 0.000) 2.872 2.653 ( -0.000 -0.291 0.000) 0.291 2.697 ( -0.000 -0.942 0.000) 0.942 2.712 ( -0.000 -0.970 0.000) 0.970 2.727 ( -0.000 -3.791 0.000) 3.791 2.728 ( -0.000 -0.000 0.000) 0.000 2.741 ( 0.000 0.540 0.000) 0.540 2.866 ( 0.000 2.356 0.000) 2.356 2.942 ( -0.000 -0.242 0.000) 0.242 2.955 ( 0.000 0.039 0.000) 0.039 2.958 ( -0.000 -0.670 0.000) 0.670 3.038 ( -0.000 -3.498 0.000) 3.498 3.204 ( -0.000 -0.119 0.000) 0.119 3.217 ( 0.000 7.287 0.000) 7.287 3.402 ( -0.000 -2.344 0.000) 2.344 3.693 ( 0.000 1.856 0.000) 1.856 3.885 ( -0.000 -2.581 0.000) 2.581 4.087 ( -0.000 -4.129 0.000) 4.129 4.360 ( -0.000 -0.807 0.000) 0.807 4.407 ( -0.000 -0.211 0.000) 0.211 5.696 ( 0.000 1.979 0.000) 1.979 6.152 ( -0.000 -5.504 0.000) 5.504 6.265 ( 0.000 2.231 0.000) 2.231 6.281 ( 0.000 2.126 0.000) 2.126 6.372 ( 0.000 0.805 0.000) 0.805 6.417 ( 0.000 1.514 0.000) 1.514 6.421 ( 0.000 1.554 0.000) 1.554 6.731 ( -0.000 -6.313 0.000) 6.313 6.997 ( 0.000 9.715 0.000) 9.715 7.322 ( 0.000 0.973 0.000) 0.973 7.330 ( -0.000 -0.377 0.000) 0.377 7.621 ( -0.000 -2.180 0.000) 2.180 7.721 ( 0.000 2.734 0.000) 2.734 8.076 ( 0.000 2.263 0.000) 2.263 8.145 ( -0.000 -1.277 0.000) 1.277 8.193 ( -0.000 -0.532 0.000) 0.532 8.213 ( 0.000 0.594 0.000) 0.594 8.376 ( -0.000 -1.137 0.000) 1.137 8.394 ( -0.000 -1.113 0.000) 1.113 8.452 ( 0.000 0.382 0.000) 0.382 8.478 ( 0.000 0.511 0.000) 0.511 8.696 ( -0.000 -0.651 0.000) 0.651 8.750 ( -0.000 -0.058 0.000) 0.058 8.917 ( 0.000 0.937 0.000) 0.937 9.007 ( -0.000 -0.018 0.000) 0.018 9.042 ( 0.000 0.057 0.000) 0.057 9.094 ( -0.000 -3.834 0.000) 3.834 9.201 ( 0.000 3.012 0.000) 3.012 10.150 ( -0.000 -0.002 0.000) 0.002 10.515 ( -0.000 -3.520 0.000) 3.520 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 8.542 -0.000 0.000) 8.542 1.691 ( 3.114 -0.000 0.000) 3.114 1.715 ( 9.767 -0.000 0.000) 9.767 1.845 ( 16.560 -0.000 0.000) 16.560 2.004 ( 9.857 -0.000 0.000) 9.857 2.019 ( 8.475 -0.000 0.000) 8.475 2.194 ( 5.922 -0.000 0.000) 5.922 2.224 ( 0.134 -0.000 0.000) 0.134 2.285 ( -1.307 0.000 0.000) 1.307 2.401 ( -1.696 0.000 0.000) 1.696 2.441 ( -2.113 0.000 0.000) 2.113 2.465 ( -1.467 0.000 0.000) 1.467 2.488 ( 5.927 -0.000 0.000) 5.927 2.570 ( 1.177 -0.000 0.000) 1.177 2.635 ( 1.794 -0.000 0.000) 1.794 2.671 ( -1.633 0.000 0.000) 1.633 2.672 ( 1.532 -0.000 0.000) 1.532 2.724 ( 1.030 -0.000 0.000) 1.030 2.809 ( -1.085 0.000 0.000) 1.085 2.825 ( 0.300 -0.000 0.000) 0.300 2.959 ( -0.294 0.000 0.000) 0.294 3.039 ( -1.193 0.000 0.000) 1.193 3.248 ( 4.744 -0.000 0.000) 4.744 3.272 ( 18.208 -0.000 0.000) 18.208 3.371 ( 0.656 -0.000 0.000) 0.656 3.379 ( -0.354 0.000 0.000) 0.354 3.567 ( 10.182 -0.000 0.000) 10.182 3.576 ( 18.134 -0.000 0.000) 18.134 3.589 ( 11.020 -0.000 0.000) 11.020 3.656 ( 7.932 -0.000 0.000) 7.932 3.673 ( -0.700 0.000 0.000) 0.700 3.719 ( 8.391 -0.000 0.000) 8.391 3.798 ( 1.783 -0.000 0.000) 1.783 3.843 ( -3.112 0.000 0.000) 3.112 4.178 ( -0.537 0.000 0.000) 0.537 4.227 ( -1.722 0.000 0.000) 1.722 5.940 ( 3.497 -0.000 0.000) 3.497 5.979 ( 3.611 -0.000 0.000) 3.611 6.542 ( -0.665 0.000 0.000) 0.665 6.597 ( 5.231 -0.000 0.000) 5.231 6.932 ( 7.620 -0.000 0.000) 7.620 7.035 ( 6.838 -0.000 0.000) 6.838 7.135 ( -0.819 0.000 0.000) 0.819 7.144 ( 2.447 -0.000 0.000) 2.447 7.182 ( 7.096 -0.000 0.000) 7.096 7.196 ( 6.656 -0.000 0.000) 6.656 7.452 ( 2.785 -0.000 0.000) 2.785 7.523 ( 7.655 -0.000 0.000) 7.655 7.722 ( 2.040 -0.000 0.000) 2.040 7.817 ( 0.897 -0.000 0.000) 0.897 8.018 ( -0.186 0.000 0.000) 0.186 8.123 ( -0.520 0.000 0.000) 0.520 8.144 ( 1.342 -0.000 0.000) 1.342 8.192 ( -3.099 0.000 0.000) 3.099 8.385 ( -5.874 0.000 0.000) 5.874 8.582 ( -8.462 0.000 0.000) 8.462 8.666 ( -4.604 0.000 0.000) 4.604 8.749 ( -7.637 0.000 0.000) 7.637 9.207 ( 8.520 -0.000 0.000) 8.520 9.209 ( 9.655 -0.000 0.000) 9.655 9.422 ( 3.796 -0.000 0.000) 3.796 9.422 ( 3.452 -0.000 0.000) 3.452 9.443 ( 11.915 -0.000 0.000) 11.915 9.505 ( 8.392 -0.000 0.000) 8.392 10.051 ( 0.260 -0.000 0.000) 0.260 10.109 ( -2.923 0.000 0.000) 2.923 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 1.625 0.173 0.000) 1.634 1.747 ( 2.415 -0.137 0.000) 2.419 1.940 ( 10.465 -0.228 0.000) 10.467 2.097 ( 8.358 1.029 0.000) 8.421 2.163 ( 6.112 0.520 0.000) 6.134 2.178 ( 6.738 0.955 0.000) 6.805 2.208 ( -1.125 -0.234 0.000) 1.149 2.228 ( -3.680 1.934 0.000) 4.157 2.255 ( -0.013 0.476 0.000) 0.476 2.345 ( -3.319 0.395 0.000) 3.342 2.395 ( -2.497 -0.401 0.000) 2.529 2.417 ( -3.082 0.133 0.000) 3.085 2.543 ( -1.394 1.805 0.000) 2.281 2.583 ( -1.505 -2.484 0.000) 2.904 2.629 ( 2.150 1.766 0.000) 2.782 2.658 ( 0.931 -0.061 0.000) 0.933 2.701 ( 1.352 0.021 0.000) 1.352 2.754 ( 1.491 -1.669 0.000) 2.239 2.813 ( 0.023 0.421 0.000) 0.422 2.817 ( 0.836 -0.411 0.000) 0.932 2.936 ( -1.801 -0.238 0.000) 1.817 2.998 ( -2.490 0.724 0.000) 2.594 3.326 ( -2.783 -0.286 0.000) 2.798 3.355 ( -1.653 0.218 0.000) 1.667 3.359 ( 5.843 -0.339 0.000) 5.852 3.513 ( 5.460 0.385 0.000) 5.473 3.556 ( -5.610 0.581 0.000) 5.640 3.620 ( -6.257 0.378 0.000) 6.268 3.713 ( 4.642 0.107 0.000) 4.643 3.774 ( 3.571 -0.247 0.000) 3.580 3.898 ( 12.719 -0.544 0.000) 12.730 3.913 ( 11.199 -1.212 0.000) 11.264 3.951 ( 9.870 0.629 0.000) 9.890 3.956 ( 9.365 -0.110 0.000) 9.366 4.183 ( 0.797 -0.543 0.000) 0.965 4.205 ( -0.601 -0.222 0.000) 0.640 5.980 ( 0.665 0.793 0.000) 1.035 6.068 ( 4.679 -0.215 0.000) 4.684 6.560 ( 2.255 -0.750 0.000) 2.376 6.690 ( 3.963 0.090 0.000) 3.964 7.058 ( 4.655 1.490 0.000) 4.888 7.105 ( -1.739 -0.105 0.000) 1.743 7.126 ( -0.802 3.025 0.000) 3.129 7.155 ( 3.047 -1.407 0.000) 3.356 7.335 ( 7.289 -1.032 0.000) 7.362 7.340 ( 7.194 -0.334 0.000) 7.202 7.524 ( 4.119 -0.095 0.000) 4.120 7.659 ( 5.363 0.307 0.000) 5.372 7.756 ( 1.263 -0.124 0.000) 1.269 7.815 ( -0.761 -0.044 0.000) 0.763 8.013 ( -0.413 -0.194 0.000) 0.456 8.112 ( -0.360 0.322 0.000) 0.483 8.132 ( -2.699 0.587 0.000) 2.762 8.184 ( 2.290 0.078 0.000) 2.292 8.264 ( -5.848 0.470 0.000) 5.867 8.407 ( -8.468 0.704 0.000) 8.497 8.559 ( -5.718 0.727 0.000) 5.764 8.590 ( -7.716 0.682 0.000) 7.746 9.342 ( 4.954 0.048 0.000) 4.954 9.356 ( 4.989 0.018 0.000) 4.989 9.476 ( 2.209 0.219 0.000) 2.219 9.481 ( 2.290 0.123 0.000) 2.293 9.645 ( 7.866 0.241 0.000) 7.870 9.663 ( 6.745 -1.015 0.000) 6.821 10.073 ( 1.598 -0.249 0.000) 1.618 10.084 ( 0.177 -0.065 0.000) 0.189 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.149 0.111 0.000) 0.186 1.785 ( 1.243 -0.086 0.000) 1.246 2.098 ( 5.027 0.116 0.000) 5.029 2.109 ( -4.917 3.739 0.000) 6.177 2.150 ( -3.158 0.213 0.000) 3.165 2.162 ( -1.311 2.653 0.000) 2.959 2.203 ( -1.795 -0.692 0.000) 1.923 2.264 ( -4.301 -0.638 0.000) 4.348 2.289 ( 3.577 -0.205 0.000) 3.583 2.295 ( 3.988 0.229 0.000) 3.995 2.344 ( -2.810 0.502 0.000) 2.854 2.363 ( -1.500 -0.796 0.000) 1.698 2.485 ( -3.344 -2.897 0.000) 4.425 2.565 ( -1.031 -0.498 0.000) 1.145 2.672 ( 1.522 1.060 0.000) 1.855 2.677 ( 0.864 -0.361 0.000) 0.936 2.724 ( 0.833 0.153 0.000) 0.847 2.777 ( -0.689 0.048 0.000) 0.691 2.820 ( 2.379 -0.196 0.000) 2.387 2.872 ( 3.565 0.760 0.000) 3.645 2.897 ( -2.139 -0.367 0.000) 2.170 2.949 ( -1.388 1.025 0.000) 1.726 3.286 ( -0.961 -0.620 0.000) 1.143 3.321 ( -1.348 0.080 0.000) 1.350 3.467 ( -2.936 0.234 0.000) 2.945 3.468 ( 4.337 0.082 0.000) 4.337 3.494 ( -5.192 -0.250 0.000) 5.198 3.547 ( -0.880 0.530 0.000) 1.027 3.787 ( 2.856 -0.033 0.000) 2.856 3.816 ( 1.438 -0.003 0.000) 1.438 4.049 ( 2.339 0.463 0.000) 2.385 4.086 ( 3.637 0.414 0.000) 3.660 4.088 ( 3.708 -0.085 0.000) 3.709 4.103 ( 4.571 -0.761 0.000) 4.634 4.213 ( 1.756 -0.523 0.000) 1.832 4.219 ( 2.472 -0.497 0.000) 2.521 5.963 ( -1.746 0.538 0.000) 1.827 6.144 ( 2.450 -0.225 0.000) 2.461 6.627 ( 3.609 -0.686 0.000) 3.673 6.751 ( 2.032 -0.131 0.000) 2.036 7.017 ( -4.558 1.519 0.000) 4.804 7.044 ( -4.976 1.050 0.000) 5.086 7.144 ( 2.068 -0.678 0.000) 2.176 7.224 ( 2.449 -0.436 0.000) 2.488 7.461 ( 4.535 0.255 0.000) 4.542 7.461 ( 4.277 0.423 0.000) 4.298 7.595 ( 2.278 -0.223 0.000) 2.289 7.713 ( 0.169 0.207 0.000) 0.267 7.774 ( 0.545 -0.037 0.000) 0.546 7.800 ( -0.609 -0.178 0.000) 0.634 8.006 ( -0.381 -0.571 0.000) 0.687 8.079 ( -2.142 0.237 0.000) 2.155 8.109 ( 0.151 1.604 0.000) 1.611 8.168 ( -2.979 -0.669 0.000) 3.053 8.214 ( -0.317 2.017 0.000) 2.041 8.266 ( -4.131 -1.067 0.000) 4.267 8.446 ( -4.730 0.403 0.000) 4.747 8.456 ( -4.755 0.220 0.000) 4.760 9.404 ( 1.443 0.010 0.000) 1.443 9.414 ( 1.158 0.108 0.000) 1.163 9.506 ( 0.860 0.088 0.000) 0.864 9.510 ( 0.619 0.027 0.000) 0.619 9.750 ( 2.870 0.275 0.000) 2.883 9.768 ( 3.110 -0.601 0.000) 3.168 10.102 ( 0.971 -0.070 0.000) 0.973 10.103 ( 1.164 -0.168 0.000) 1.176 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -1.005 -0.145 0.000) 1.016 1.794 ( -0.443 0.176 0.000) 0.476 2.003 ( -3.638 1.199 0.000) 3.830 2.074 ( -5.652 -1.289 0.000) 5.797 2.080 ( -3.969 -0.520 0.000) 4.003 2.133 ( -1.408 -0.247 0.000) 1.430 2.148 ( -5.045 -1.645 0.000) 5.306 2.228 ( 0.556 -1.704 0.000) 1.792 2.281 ( -3.439 -0.189 0.000) 3.444 2.325 ( -0.506 0.709 0.000) 0.871 2.329 ( 1.293 -0.160 0.000) 1.302 2.400 ( 3.552 0.523 0.000) 3.591 2.445 ( -2.660 -3.351 0.000) 4.279 2.544 ( -1.279 -1.000 0.000) 1.624 2.682 ( 0.302 0.777 0.000) 0.834 2.695 ( 0.624 -0.060 0.000) 0.627 2.721 ( -1.229 0.301 0.000) 1.265 2.758 ( -1.060 -0.599 0.000) 1.218 2.866 ( -1.141 -1.429 0.000) 1.829 2.869 ( 2.353 1.819 0.000) 2.974 2.926 ( 2.291 2.009 0.000) 3.047 2.944 ( 1.450 1.050 0.000) 1.790 3.303 ( 2.280 -0.216 0.000) 2.290 3.309 ( 0.146 -0.332 0.000) 0.363 3.412 ( -3.363 -2.073 0.000) 3.951 3.440 ( 0.075 -0.583 0.000) 0.587 3.492 ( -2.941 -0.020 0.000) 2.941 3.545 ( 2.021 0.596 0.000) 2.107 3.823 ( 0.554 0.900 0.000) 1.057 3.828 ( 0.009 0.511 0.000) 0.511 4.019 ( -4.774 -0.482 0.000) 4.798 4.081 ( -3.132 0.080 0.000) 3.133 4.089 ( -3.428 -0.004 0.000) 3.428 4.122 ( -2.359 -0.066 0.000) 2.360 4.253 ( 0.993 0.631 0.000) 1.176 4.258 ( 0.883 0.656 0.000) 1.100 5.917 ( -2.625 -0.823 0.000) 2.751 6.159 ( -1.079 0.184 0.000) 1.095 6.684 ( 1.302 0.982 0.000) 1.631 6.759 ( -1.847 0.045 0.000) 1.847 6.916 ( -4.719 -1.503 0.000) 4.953 6.945 ( -4.333 -1.874 0.000) 4.721 7.158 ( -0.982 -0.249 0.000) 1.013 7.246 ( -0.506 0.234 0.000) 0.557 7.478 ( -2.263 1.323 0.000) 2.622 7.495 ( -0.661 1.396 0.000) 1.545 7.599 ( -2.144 -0.457 0.000) 2.193 7.679 ( -3.359 -0.910 0.000) 3.480 7.781 ( 0.315 0.205 0.000) 0.375 7.799 ( 0.365 -0.292 0.000) 0.468 8.016 ( 1.094 -0.898 0.000) 1.415 8.062 ( 0.577 -0.198 0.000) 0.610 8.088 ( -0.352 2.095 0.000) 2.124 8.156 ( -2.059 0.301 0.000) 2.081 8.157 ( 0.036 -1.427 0.000) 1.428 8.256 ( 0.276 -1.306 0.000) 1.335 8.393 ( -0.402 -1.299 0.000) 1.360 8.421 ( 0.979 -0.850 0.000) 1.297 9.404 ( -1.429 -0.002 0.000) 1.429 9.407 ( -1.750 -0.076 0.000) 1.752 9.504 ( -1.141 -0.098 0.000) 1.145 9.506 ( -0.967 0.049 0.000) 0.969 9.753 ( -2.350 0.242 0.000) 2.363 9.792 ( -0.853 0.231 0.000) 0.884 10.105 ( -0.535 0.055 0.000) 0.538 10.120 ( 0.277 0.290 0.000) 0.401 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -2.045 -0.444 0.000) 2.093 1.764 ( -2.399 0.321 0.000) 2.421 1.924 ( -8.558 -4.644 0.000) 9.737 1.980 ( -6.438 1.163 0.000) 6.542 1.990 ( -1.335 -3.707 0.000) 3.940 2.080 ( -2.666 -2.441 0.000) 3.615 2.080 ( -3.849 -2.103 0.000) 4.386 2.210 ( -3.636 0.038 0.000) 3.636 2.241 ( -3.662 -2.887 0.000) 4.663 2.271 ( -1.679 1.278 0.000) 2.111 2.369 ( 1.832 -1.204 0.000) 2.193 2.418 ( -1.626 -3.375 0.000) 3.747 2.464 ( 3.341 1.272 0.000) 3.575 2.528 ( -0.888 0.042 0.000) 0.889 2.667 ( -3.476 0.573 0.000) 3.523 2.684 ( 0.446 0.211 0.000) 0.494 2.705 ( 0.158 0.039 0.000) 0.163 2.740 ( -1.523 -1.351 0.000) 2.036 2.876 ( 0.655 -3.281 0.000) 3.346 2.886 ( 0.687 3.065 0.000) 3.141 2.937 ( 0.067 2.347 0.000) 2.348 2.986 ( 3.138 1.585 0.000) 3.516 3.325 ( 0.772 -0.776 0.000) 1.095 3.334 ( -2.052 -0.080 0.000) 2.053 3.387 ( 1.289 -0.583 0.000) 1.414 3.440 ( -2.272 -2.824 0.000) 3.624 3.470 ( 1.875 -2.036 0.000) 2.768 3.554 ( -1.220 0.659 0.000) 1.387 3.789 ( -2.879 1.544 0.000) 3.267 3.807 ( -2.541 0.952 0.000) 2.714 3.877 ( -9.741 -1.249 0.000) 9.821 3.960 ( -8.912 0.927 0.000) 8.960 3.972 ( -7.576 0.504 0.000) 7.593 4.028 ( -5.744 1.720 0.000) 5.996 4.245 ( -0.790 1.085 0.000) 1.342 4.248 ( -1.060 1.269 0.000) 1.653 5.877 ( -2.013 -2.077 0.000) 2.892 6.102 ( -4.196 0.797 0.000) 4.271 6.650 ( -3.403 1.496 0.000) 3.717 6.674 ( -5.954 -0.461 0.000) 5.972 6.859 ( -3.245 -4.133 0.000) 5.255 6.909 ( -1.482 -3.682 0.000) 3.969 7.114 ( -3.217 -0.220 0.000) 3.224 7.201 ( -3.619 0.849 0.000) 3.717 7.383 ( -5.462 1.663 0.000) 5.710 7.441 ( -3.055 2.041 0.000) 3.674 7.531 ( -4.297 -0.584 0.000) 4.336 7.601 ( -5.100 -1.676 0.000) 5.369 7.783 ( 0.119 0.848 0.000) 0.857 7.814 ( 0.831 -0.208 0.000) 0.857 8.042 ( 0.812 0.225 0.000) 0.843 8.080 ( 0.711 -0.053 0.000) 0.713 8.084 ( 0.868 0.909 0.000) 1.257 8.147 ( 0.644 -1.150 0.000) 1.318 8.188 ( 2.382 -2.420 0.000) 3.396 8.298 ( 3.101 -3.177 0.000) 4.439 8.433 ( 2.461 -3.349 0.000) 4.156 8.483 ( 3.845 -2.393 0.000) 4.529 9.337 ( -5.192 -0.070 0.000) 5.192 9.355 ( -3.839 -0.005 0.000) 3.839 9.463 ( -3.160 -0.164 0.000) 3.164 9.468 ( -2.826 -0.055 0.000) 2.826 9.663 ( -6.182 0.559 0.000) 6.208 9.731 ( -4.859 0.934 0.000) 4.948 10.090 ( -0.526 0.150 0.000) 0.547 10.109 ( -0.878 0.743 0.000) 1.150 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -3.359 -0.296 0.000) 3.372 1.688 ( -5.607 0.440 0.000) 5.624 1.728 ( -12.446 -1.840 0.000) 12.582 1.815 ( -7.686 3.969 0.000) 8.650 1.998 ( -2.841 -4.749 0.000) 5.534 2.002 ( -5.167 -0.686 0.000) 5.212 2.086 ( 0.230 -4.764 0.000) 4.770 2.107 ( -6.899 -2.298 0.000) 7.271 2.146 ( -2.879 -1.427 0.000) 3.214 2.247 ( -2.661 -1.770 0.000) 3.196 2.401 ( 0.254 -2.478 0.000) 2.491 2.426 ( -0.738 -3.628 0.000) 3.702 2.497 ( -1.351 1.067 0.000) 1.722 2.521 ( 3.065 1.465 0.000) 3.397 2.576 ( -5.637 -0.312 0.000) 5.645 2.701 ( -2.093 -2.030 0.000) 2.916 2.707 ( 0.143 0.257 0.000) 0.294 2.708 ( 0.384 -0.589 0.000) 0.703 2.860 ( -1.529 3.431 0.000) 3.757 2.898 ( -2.670 2.469 0.000) 3.636 2.914 ( 0.652 -4.098 0.000) 4.150 3.029 ( 1.633 2.566 0.000) 3.042 3.248 ( -6.667 -1.764 0.000) 6.897 3.325 ( -2.454 -1.896 0.000) 3.101 3.374 ( -4.710 -1.334 0.000) 4.895 3.435 ( -3.216 3.197 0.000) 4.534 3.475 ( -2.901 -0.099 0.000) 2.903 3.503 ( -1.228 -2.108 0.000) 2.440 3.661 ( -12.053 -0.091 0.000) 12.054 3.688 ( -6.511 1.633 0.000) 6.712 3.701 ( -7.779 1.665 0.000) 7.955 3.771 ( -6.803 1.159 0.000) 6.901 3.798 ( -7.673 1.164 0.000) 7.760 3.928 ( -2.484 1.609 0.000) 2.960 4.216 ( -1.033 1.066 0.000) 1.485 4.231 ( 0.253 0.231 0.000) 0.342 5.861 ( -0.992 -2.091 0.000) 2.315 6.000 ( -4.955 0.746 0.000) 5.011 6.556 ( -6.224 -1.689 0.000) 6.449 6.568 ( -3.863 -0.328 0.000) 3.876 6.810 ( -4.323 -4.223 0.000) 6.043 6.894 ( -2.494 -2.835 0.000) 3.775 7.044 ( -3.998 -0.240 0.000) 4.005 7.097 ( -6.354 0.811 0.000) 6.405 7.276 ( -3.678 1.196 0.000) 3.868 7.369 ( -2.748 2.932 0.000) 4.018 7.453 ( -3.708 -0.637 0.000) 3.763 7.501 ( -5.333 -0.847 0.000) 5.400 7.773 ( -0.322 1.991 0.000) 2.017 7.828 ( 0.595 0.352 0.000) 0.692 8.050 ( 0.702 1.123 0.000) 1.324 8.095 ( 0.761 -0.563 0.000) 0.946 8.104 ( 1.162 0.211 0.000) 1.181 8.181 ( 2.061 -0.875 0.000) 2.239 8.271 ( 3.875 -3.635 0.000) 5.313 8.409 ( 5.102 -5.464 0.000) 7.475 8.511 ( 2.660 -4.967 0.000) 5.635 8.586 ( 4.274 -4.338 0.000) 6.090 9.200 ( -8.516 0.088 0.000) 8.516 9.251 ( -6.262 0.810 0.000) 6.314 9.377 ( -5.725 -0.186 0.000) 5.728 9.394 ( -4.809 -0.297 0.000) 4.818 9.513 ( -7.867 1.339 0.000) 7.980 9.603 ( -6.850 1.380 0.000) 6.988 10.082 ( -0.478 0.798 0.000) 0.930 10.101 ( 1.164 -0.223 0.000) 1.185 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -12.313 5.167 0.000) 13.354 1.458 ( -13.846 4.154 0.000) 14.456 1.566 ( -4.303 -0.038 0.000) 4.303 1.675 ( -4.668 3.847 0.000) 6.049 1.882 ( -10.558 -4.114 0.000) 11.331 1.890 ( -4.849 2.765 0.000) 5.582 1.970 ( -4.368 3.912 0.000) 5.863 2.115 ( -1.640 -3.239 0.000) 3.631 2.163 ( -1.296 -5.535 0.000) 5.685 2.209 ( -1.707 -6.244 0.000) 6.474 2.364 ( -5.374 -2.487 0.000) 5.921 2.398 ( -5.006 -4.473 0.000) 6.714 2.442 ( -6.155 -0.426 0.000) 6.170 2.516 ( 2.052 -0.881 0.000) 2.233 2.562 ( 1.762 1.684 0.000) 2.437 2.598 ( -9.660 -0.221 0.000) 9.662 2.704 ( -0.418 0.829 0.000) 0.928 2.737 ( -1.301 1.509 0.000) 1.992 2.777 ( -2.528 2.138 0.000) 3.311 2.829 ( -2.872 0.400 0.000) 2.900 2.934 ( -0.964 -3.749 0.000) 3.871 2.981 ( -5.691 2.524 0.000) 6.225 3.029 ( -14.593 3.136 0.000) 14.926 3.215 ( -9.279 -0.463 0.000) 9.290 3.224 ( -8.635 -3.673 0.000) 9.384 3.298 ( -5.535 4.666 0.000) 7.239 3.393 ( -8.579 5.280 0.000) 10.074 3.435 ( -6.481 1.430 0.000) 6.637 3.472 ( -3.635 2.030 0.000) 4.163 3.486 ( -10.907 3.080 0.000) 11.334 3.538 ( -5.466 1.433 0.000) 5.651 3.704 ( -2.503 -2.294 0.000) 3.395 3.733 ( 0.423 -3.308 0.000) 3.335 3.901 ( -0.809 -1.503 0.000) 1.707 4.210 ( 0.931 0.057 0.000) 0.933 4.261 ( 2.498 -0.602 0.000) 2.570 5.849 ( -1.145 -0.101 0.000) 1.149 5.922 ( -2.363 -0.789 0.000) 2.491 6.455 ( -4.709 -1.918 0.000) 5.085 6.520 ( -1.666 -2.954 0.000) 3.392 6.732 ( -5.300 -2.284 0.000) 5.771 6.829 ( -5.360 -1.118 0.000) 5.475 6.937 ( -9.383 0.421 0.000) 9.393 6.940 ( -7.160 -0.834 0.000) 7.208 7.253 ( 2.189 0.790 0.000) 2.327 7.294 ( -2.488 5.125 0.000) 5.698 7.397 ( -2.163 -0.769 0.000) 2.296 7.413 ( -3.233 0.916 0.000) 3.360 7.751 ( -0.217 3.385 0.000) 3.392 7.832 ( 0.366 1.762 0.000) 1.799 8.061 ( 1.051 1.202 0.000) 1.597 8.119 ( 1.329 -0.481 0.000) 1.413 8.123 ( 0.989 0.606 0.000) 1.159 8.238 ( 2.979 -1.178 0.000) 3.203 8.370 ( 3.490 -4.430 0.000) 5.640 8.547 ( 4.852 -6.913 0.000) 8.446 8.583 ( 1.278 -5.639 0.000) 5.782 8.690 ( 2.994 -5.941 0.000) 6.653 9.006 ( -10.368 0.728 0.000) 10.393 9.107 ( -6.877 2.374 0.000) 7.276 9.228 ( -8.873 0.795 0.000) 8.908 9.280 ( -6.441 0.005 0.000) 6.441 9.363 ( -6.147 1.103 0.000) 6.246 9.464 ( -6.054 1.327 0.000) 6.198 10.080 ( 0.790 0.575 0.000) 0.977 10.155 ( 3.655 -1.661 0.000) 4.015 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -15.062 10.117 0.000) 18.145 1.139 ( -13.323 12.065 0.000) 17.974 1.470 ( -5.200 4.268 0.000) 6.728 1.572 ( -3.261 3.810 0.000) 5.015 1.694 ( -9.862 -3.919 0.000) 10.612 1.793 ( -3.645 2.278 0.000) 4.298 1.832 ( -6.854 6.399 0.000) 9.377 2.026 ( -16.017 2.271 0.000) 16.177 2.111 ( -0.823 -2.613 0.000) 2.739 2.173 ( -13.901 -0.676 0.000) 13.918 2.175 ( -6.436 2.351 0.000) 6.852 2.290 ( -4.882 0.981 0.000) 4.979 2.367 ( -5.180 -4.796 0.000) 7.060 2.399 ( -3.426 -1.152 0.000) 3.615 2.548 ( -0.102 0.006 0.000) 0.102 2.561 ( -1.331 1.379 0.000) 1.916 2.612 ( -4.460 4.471 0.000) 6.315 2.667 ( -2.081 1.065 0.000) 2.337 2.705 ( -9.415 2.645 0.000) 9.779 2.799 ( 0.971 -0.106 0.000) 0.976 2.826 ( -3.314 -1.036 0.000) 3.472 2.842 ( -4.926 -0.602 0.000) 4.963 2.920 ( -2.469 -3.130 0.000) 3.986 3.021 ( -9.059 1.969 0.000) 9.270 3.059 ( -7.803 -0.730 0.000) 7.837 3.146 ( -8.457 1.838 0.000) 8.655 3.210 ( -12.589 -0.255 0.000) 12.591 3.235 ( -5.170 4.643 0.000) 6.949 3.291 ( -6.806 1.131 0.000) 6.899 3.404 ( -1.184 6.701 0.000) 6.804 3.449 ( -3.808 1.824 0.000) 4.222 3.702 ( 0.392 -1.791 0.000) 1.833 3.771 ( 0.484 -5.640 0.000) 5.661 3.906 ( -0.294 -4.775 0.000) 4.784 4.251 ( 2.591 -1.083 0.000) 2.808 4.323 ( 3.017 -0.789 0.000) 3.118 5.812 ( -1.726 2.603 0.000) 3.123 5.925 ( 1.256 -3.666 0.000) 3.875 6.395 ( -2.285 -1.452 0.000) 2.707 6.530 ( -0.142 -4.670 0.000) 4.672 6.628 ( -5.609 0.445 0.000) 5.626 6.685 ( -9.606 0.741 0.000) 9.635 6.732 ( -9.756 0.490 0.000) 9.768 6.770 ( -10.954 -3.339 0.000) 11.451 7.225 ( -0.486 8.018 0.000) 8.032 7.322 ( 3.379 2.338 0.000) 4.109 7.359 ( -1.496 2.115 0.000) 2.591 7.396 ( 3.265 -1.081 0.000) 3.439 7.730 ( 0.352 4.424 0.000) 4.438 7.830 ( 1.561 4.155 0.000) 4.439 8.081 ( 1.752 1.476 0.000) 2.291 8.137 ( 0.882 0.879 0.000) 1.245 8.152 ( 1.733 -0.329 0.000) 1.764 8.308 ( 3.187 -1.624 0.000) 3.577 8.447 ( 1.252 -4.670 0.000) 4.835 8.603 ( -2.715 -4.056 0.000) 4.880 8.646 ( -0.303 -7.128 0.000) 7.134 8.767 ( 1.611 -6.136 0.000) 6.344 8.802 ( -8.709 1.258 0.000) 8.800 8.981 ( -3.446 3.157 0.000) 4.674 9.056 ( -6.640 1.633 0.000) 6.838 9.158 ( -5.104 0.418 0.000) 5.121 9.247 ( -5.545 -0.321 0.000) 5.554 9.349 ( -4.768 1.123 0.000) 4.898 10.104 ( 1.689 0.161 0.000) 1.696 10.259 ( 5.075 -3.667 0.000) 6.261 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -12.591 15.842 0.000) 20.236 0.804 ( -11.080 19.230 0.000) 22.194 1.318 ( -5.973 7.783 0.000) 9.811 1.439 ( -21.363 20.671 0.000) 29.727 1.459 ( -5.747 9.510 0.000) 11.111 1.586 ( -5.986 0.596 0.000) 6.015 1.701 ( -5.927 8.044 0.000) 9.991 1.714 ( -3.148 -1.879 0.000) 3.666 1.959 ( -3.684 4.848 0.000) 6.089 2.031 ( -5.540 -0.330 0.000) 5.550 2.128 ( 0.022 -3.127 0.000) 3.127 2.243 ( -2.531 -0.160 0.000) 2.536 2.260 ( -8.703 1.661 0.000) 8.861 2.323 ( -2.370 -0.830 0.000) 2.511 2.412 ( -8.088 6.099 0.000) 10.130 2.543 ( 0.013 -2.293 0.000) 2.294 2.589 ( 2.656 -1.588 0.000) 3.095 2.628 ( 1.465 2.017 0.000) 2.493 2.657 ( 1.141 0.234 0.000) 1.165 2.749 ( -5.078 -0.712 0.000) 5.128 2.779 ( -3.248 -0.905 0.000) 3.372 2.799 ( -2.371 0.863 0.000) 2.523 2.834 ( -8.136 3.305 0.000) 8.782 2.881 ( -2.048 -1.989 0.000) 2.855 2.963 ( -2.606 -0.946 0.000) 2.772 2.979 ( -6.432 -1.908 0.000) 6.710 3.029 ( -6.354 -3.251 0.000) 7.138 3.105 ( -4.869 4.515 0.000) 6.640 3.191 ( -3.118 -1.557 0.000) 3.485 3.352 ( 0.153 8.495 0.000) 8.496 3.384 ( -1.427 0.944 0.000) 1.711 3.717 ( 0.453 0.437 0.000) 0.629 3.810 ( 0.163 -5.820 0.000) 5.822 3.949 ( 1.557 -6.278 0.000) 6.468 4.310 ( 2.275 -1.704 0.000) 2.843 4.378 ( 1.906 -0.695 0.000) 2.028 5.763 ( -1.121 3.952 0.000) 4.108 5.998 ( 2.594 -6.717 0.000) 7.200 6.376 ( -0.396 -0.690 0.000) 0.796 6.445 ( -9.440 3.133 0.000) 9.946 6.513 ( -4.741 2.403 0.000) 5.315 6.518 ( -5.338 1.122 0.000) 5.454 6.536 ( -14.910 -4.455 0.000) 15.561 6.625 ( -1.104 -5.217 0.000) 5.332 7.178 ( 0.667 10.711 0.000) 10.731 7.331 ( -0.323 1.198 0.000) 1.241 7.338 ( 0.472 1.288 0.000) 1.372 7.534 ( 7.195 -0.286 0.000) 7.200 7.728 ( 2.755 4.524 0.000) 5.297 7.878 ( 8.425 7.799 0.000) 11.480 8.111 ( 2.155 3.214 0.000) 3.870 8.154 ( 1.310 -0.382 0.000) 1.365 8.188 ( 1.539 -0.224 0.000) 1.555 8.374 ( 1.984 -2.375 0.000) 3.095 8.442 ( -4.578 -3.086 0.000) 5.521 8.528 ( -4.197 -0.345 0.000) 4.211 8.596 ( -7.152 -4.474 0.000) 8.436 8.691 ( -1.934 -0.271 0.000) 1.953 8.803 ( -2.673 -4.647 0.000) 5.361 8.938 ( -0.046 1.993 0.000) 1.993 8.980 ( -0.005 -0.403 0.000) 0.403 9.081 ( -2.950 -0.209 0.000) 2.957 9.136 ( -6.716 -2.302 0.000) 7.100 9.266 ( -2.491 1.667 0.000) 2.997 10.136 ( 1.297 -0.018 0.000) 1.297 10.382 ( 4.113 -5.522 0.000) 6.886 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 21.391 0.000) 21.391 0.545 ( 0.000 22.613 0.000) 22.613 0.976 ( 0.000 41.255 0.000) 41.255 1.196 ( 0.000 6.382 0.000) 6.382 1.303 ( 0.000 16.533 0.000) 16.533 1.556 ( -0.000 -5.668 0.000) 5.668 1.603 ( 0.000 5.550 0.000) 5.550 1.708 ( -0.000 -4.063 0.000) 4.063 1.918 ( 0.000 5.091 0.000) 5.091 1.973 ( 0.000 0.066 0.000) 0.066 2.142 ( 0.000 1.216 0.000) 1.216 2.145 ( -0.000 -2.627 0.000) 2.627 2.212 ( 0.000 9.630 0.000) 9.630 2.231 ( -0.000 -1.528 0.000) 1.528 2.343 ( 0.000 3.704 0.000) 3.704 2.562 ( -0.000 -2.512 0.000) 2.512 2.646 ( 0.000 1.568 0.000) 1.568 2.647 ( -0.000 -0.826 0.000) 0.826 2.688 ( -0.000 -0.626 0.000) 0.626 2.690 ( 0.000 0.593 0.000) 0.593 2.696 ( -0.000 -1.786 0.000) 1.786 2.728 ( 0.000 0.008 0.000) 0.008 2.750 ( 0.000 1.060 0.000) 1.060 2.876 ( -0.000 -1.275 0.000) 1.275 2.938 ( -0.000 -0.441 0.000) 0.441 2.947 ( -0.000 -1.149 0.000) 1.149 2.951 ( -0.000 -0.703 0.000) 0.703 3.030 ( 0.000 2.670 0.000) 2.670 3.187 ( -0.000 -3.260 0.000) 3.260 3.307 ( 0.000 8.490 0.000) 8.490 3.379 ( -0.000 -1.408 0.000) 1.408 3.715 ( 0.000 1.628 0.000) 1.628 3.842 ( -0.000 -4.907 0.000) 4.907 4.022 ( -0.000 -7.208 0.000) 7.208 4.346 ( -0.000 -1.673 0.000) 1.673 4.402 ( -0.000 -0.582 0.000) 0.582 5.729 ( 0.000 3.770 0.000) 3.770 6.073 ( -0.000 -7.942 0.000) 7.942 6.300 ( 0.000 3.991 0.000) 3.991 6.315 ( 0.000 3.799 0.000) 3.799 6.378 ( 0.000 0.047 0.000) 0.047 6.442 ( 0.000 2.709 0.000) 2.709 6.446 ( 0.000 2.783 0.000) 2.783 6.657 ( -0.000 -6.600 0.000) 6.600 7.121 ( 0.000 11.725 0.000) 11.725 7.327 ( 0.000 0.007 0.000) 0.007 7.335 ( 0.000 1.304 0.000) 1.304 7.600 ( -0.000 -1.340 0.000) 1.340 7.753 ( 0.000 2.921 0.000) 2.921 8.111 ( 0.000 3.871 0.000) 3.871 8.127 ( -0.000 -1.990 0.000) 1.990 8.185 ( -0.000 -0.832 0.000) 0.832 8.219 ( 0.000 0.432 0.000) 0.432 8.359 ( -0.000 -1.851 0.000) 1.851 8.378 ( -0.000 -1.777 0.000) 1.777 8.457 ( 0.000 0.442 0.000) 0.442 8.485 ( 0.000 0.648 0.000) 0.648 8.685 ( -0.000 -1.130 0.000) 1.130 8.749 ( -0.000 -0.127 0.000) 0.127 8.931 ( 0.000 1.446 0.000) 1.446 9.007 ( -0.000 -0.031 0.000) 0.031 9.042 ( 0.000 0.101 0.000) 0.101 9.050 ( -0.000 -3.736 0.000) 3.736 9.233 ( 0.000 2.415 0.000) 2.415 10.150 ( -0.000 -0.029 0.000) 0.029 10.460 ( -0.000 -5.874 0.000) 5.874 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.083 -0.000 0.000) 0.083 1.785 ( 1.308 -0.000 0.000) 1.308 2.099 ( 5.134 -0.000 0.000) 5.134 2.133 ( -4.935 0.000 0.000) 4.935 2.152 ( -3.539 0.000 0.000) 3.539 2.186 ( 1.452 -0.000 0.000) 1.452 2.190 ( -5.569 0.000 0.000) 5.569 2.258 ( -6.026 0.000 0.000) 6.026 2.288 ( 4.609 -0.000 0.000) 4.609 2.297 ( 4.016 -0.000 0.000) 4.016 2.348 ( -3.582 0.000 0.000) 3.582 2.357 ( -0.655 0.000 0.000) 0.655 2.467 ( -3.476 0.000 0.000) 3.476 2.561 ( -1.266 0.000 0.000) 1.266 2.675 ( 0.910 -0.000 0.000) 0.910 2.678 ( 1.240 -0.000 0.000) 1.240 2.725 ( 0.822 -0.000 0.000) 0.822 2.778 ( -0.607 0.000 0.000) 0.607 2.820 ( 2.881 -0.000 0.000) 2.881 2.877 ( 3.958 -0.000 0.000) 3.958 2.895 ( -2.190 0.000 0.000) 2.190 2.955 ( -1.508 0.000 0.000) 1.508 3.283 ( -0.900 0.000 0.000) 0.900 3.322 ( -1.456 0.000 0.000) 1.456 3.467 ( 2.818 -0.000 0.000) 2.818 3.468 ( -3.119 0.000 0.000) 3.119 3.494 ( -3.864 0.000 0.000) 3.864 3.550 ( -1.095 0.000 0.000) 1.095 3.788 ( 2.998 -0.000 0.000) 2.998 3.816 ( 1.630 -0.000 0.000) 1.630 4.052 ( 2.277 -0.000 0.000) 2.277 4.087 ( 3.492 -0.000 0.000) 3.492 4.090 ( 4.140 -0.000 0.000) 4.140 4.097 ( 4.275 -0.000 0.000) 4.275 4.210 ( 1.961 -0.000 0.000) 1.961 4.216 ( 2.847 -0.000 0.000) 2.847 5.966 ( -2.108 0.000 0.000) 2.108 6.143 ( 2.533 -0.000 0.000) 2.533 6.623 ( 3.965 -0.000 0.000) 3.965 6.750 ( 1.979 -0.000 0.000) 1.979 7.026 ( -5.423 0.000 0.000) 5.423 7.050 ( -5.754 0.000 0.000) 5.754 7.140 ( 2.397 -0.000 0.000) 2.397 7.222 ( 2.658 -0.000 0.000) 2.658 7.463 ( 4.922 -0.000 0.000) 4.922 7.464 ( 4.541 -0.000 0.000) 4.541 7.594 ( 2.220 -0.000 0.000) 2.220 7.714 ( -0.061 0.000 0.000) 0.061 7.773 ( 0.593 -0.000 0.000) 0.593 7.799 ( -0.638 0.000 0.000) 0.638 8.002 ( -0.441 0.000 0.000) 0.441 8.080 ( -2.334 0.000 0.000) 2.334 8.119 ( 0.965 -0.000 0.000) 0.965 8.164 ( -3.932 0.000 0.000) 3.932 8.228 ( 1.598 -0.000 0.000) 1.598 8.256 ( -6.374 0.000 0.000) 6.374 8.448 ( -5.085 0.000 0.000) 5.085 8.458 ( -5.053 0.000 0.000) 5.053 9.404 ( 1.425 -0.000 0.000) 1.425 9.415 ( 1.128 -0.000 0.000) 1.128 9.507 ( 0.832 -0.000 0.000) 0.832 9.510 ( 0.569 -0.000 0.000) 0.569 9.752 ( 2.704 -0.000 0.000) 2.704 9.764 ( 3.517 -0.000 0.000) 3.517 10.101 ( 0.951 -0.000 0.000) 0.951 10.103 ( 1.329 -0.000 0.000) 1.329 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -1.112 -0.051 0.000) 1.113 1.795 ( -0.350 0.066 0.000) 0.356 2.024 ( -5.396 2.220 0.000) 5.835 2.054 ( -7.718 -2.080 0.000) 7.994 2.075 ( -3.989 -0.208 0.000) 3.994 2.131 ( -1.803 -0.082 0.000) 1.805 2.136 ( -5.323 -0.473 0.000) 5.344 2.212 ( 0.948 -0.825 0.000) 1.257 2.279 ( -3.356 -0.062 0.000) 3.357 2.328 ( 1.058 -0.057 0.000) 1.059 2.331 ( -0.458 0.304 0.000) 0.550 2.404 ( 3.806 0.185 0.000) 3.810 2.418 ( -2.238 -1.296 0.000) 2.586 2.536 ( -1.003 -0.396 0.000) 1.078 2.687 ( 0.068 0.225 0.000) 0.235 2.694 ( 0.810 -0.056 0.000) 0.812 2.724 ( -1.099 0.153 0.000) 1.110 2.753 ( -1.380 -0.253 0.000) 1.403 2.854 ( -1.749 -0.531 0.000) 1.827 2.885 ( 2.968 0.836 0.000) 3.083 2.941 ( 2.273 0.724 0.000) 2.386 2.952 ( 1.445 0.413 0.000) 1.503 3.302 ( 2.669 -0.094 0.000) 2.671 3.307 ( -0.015 -0.140 0.000) 0.141 3.393 ( -3.510 -0.952 0.000) 3.637 3.435 ( -0.322 -0.217 0.000) 0.389 3.494 ( -3.994 0.129 0.000) 3.996 3.549 ( 2.396 0.196 0.000) 2.404 3.830 ( 1.131 0.304 0.000) 1.172 3.833 ( -0.131 0.240 0.000) 0.274 4.015 ( -5.138 -0.174 0.000) 5.141 4.081 ( -3.355 0.053 0.000) 3.355 4.089 ( -3.230 -0.002 0.000) 3.230 4.121 ( -1.784 -0.066 0.000) 1.786 4.258 ( 1.373 0.222 0.000) 1.390 4.263 ( 1.182 0.236 0.000) 1.205 5.911 ( -3.121 -0.300 0.000) 3.136 6.160 ( -0.867 0.059 0.000) 0.869 6.691 ( 1.998 0.352 0.000) 2.029 6.759 ( -1.629 -0.007 0.000) 1.629 6.904 ( -6.037 -0.503 0.000) 6.058 6.931 ( -5.445 -0.679 0.000) 5.488 7.155 ( -0.918 -0.144 0.000) 0.930 7.248 ( -0.229 0.066 0.000) 0.238 7.490 ( -1.928 0.713 0.000) 2.056 7.507 ( -0.419 0.608 0.000) 0.739 7.593 ( -2.369 -0.356 0.000) 2.396 7.671 ( -3.830 -0.389 0.000) 3.850 7.783 ( 0.463 0.085 0.000) 0.470 7.796 ( 0.353 -0.135 0.000) 0.378 8.009 ( 1.205 -0.326 0.000) 1.249 8.061 ( 0.679 -0.064 0.000) 0.682 8.112 ( -0.517 1.892 0.000) 1.961 8.139 ( -0.133 -1.624 0.000) 1.630 8.161 ( -3.013 0.389 0.000) 3.038 8.243 ( 0.025 -0.733 0.000) 0.733 8.383 ( -1.158 -0.516 0.000) 1.267 8.414 ( 0.597 -0.320 0.000) 0.677 9.404 ( -1.332 -0.008 0.000) 1.332 9.407 ( -1.914 -0.016 0.000) 1.914 9.503 ( -1.219 -0.033 0.000) 1.219 9.506 ( -0.930 0.018 0.000) 0.930 9.755 ( -2.306 0.102 0.000) 2.308 9.794 ( -0.599 0.070 0.000) 0.603 10.105 ( -0.462 0.020 0.000) 0.462 10.122 ( 0.432 0.105 0.000) 0.445 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -2.105 -0.241 0.000) 2.119 1.767 ( -2.459 0.166 0.000) 2.465 1.881 ( -8.508 -2.803 0.000) 8.958 1.958 ( -3.150 -1.855 0.000) 3.656 1.992 ( -4.735 0.872 0.000) 4.815 2.058 ( -3.057 -1.336 0.000) 3.336 2.060 ( -4.673 -1.361 0.000) 4.867 2.211 ( -3.629 0.083 0.000) 3.630 2.213 ( -3.674 -1.815 0.000) 4.098 2.287 ( -1.509 1.335 0.000) 2.015 2.357 ( 1.242 -0.761 0.000) 1.456 2.386 ( -1.913 -2.319 0.000) 3.006 2.475 ( 3.470 0.689 0.000) 3.537 2.530 ( -0.067 0.196 0.000) 0.207 2.674 ( -3.546 0.646 0.000) 3.604 2.684 ( -0.167 -0.093 0.000) 0.192 2.705 ( 0.201 -0.069 0.000) 0.212 2.728 ( -1.497 -0.692 0.000) 1.649 2.844 ( 0.080 -2.117 0.000) 2.118 2.916 ( 0.896 2.117 0.000) 2.299 2.956 ( -0.268 0.963 0.000) 1.000 3.001 ( 3.518 1.049 0.000) 3.672 3.317 ( 0.525 -0.532 0.000) 0.748 3.336 ( -2.375 0.486 0.000) 2.424 3.369 ( -0.143 -2.230 0.000) 2.235 3.422 ( -0.545 -0.541 0.000) 0.768 3.451 ( 1.333 -1.161 0.000) 1.768 3.562 ( -1.158 0.585 0.000) 1.298 3.800 ( -3.130 0.475 0.000) 3.166 3.818 ( -2.395 0.814 0.000) 2.530 3.866 ( -9.732 -0.644 0.000) 9.753 3.967 ( -8.454 0.443 0.000) 8.465 3.977 ( -6.903 0.327 0.000) 6.911 4.042 ( -5.198 0.831 0.000) 5.264 4.255 ( -0.986 0.661 0.000) 1.187 4.259 ( -1.064 0.696 0.000) 1.272 5.859 ( -2.188 -1.127 0.000) 2.461 6.109 ( -4.026 0.458 0.000) 4.052 6.662 ( -4.322 0.602 0.000) 4.363 6.670 ( -6.675 -0.313 0.000) 6.683 6.823 ( -3.346 -2.218 0.000) 4.014 6.878 ( -0.862 -1.776 0.000) 1.974 7.111 ( -3.321 -0.306 0.000) 3.335 7.208 ( -3.560 0.443 0.000) 3.588 7.403 ( -5.330 1.641 0.000) 5.577 7.461 ( -2.929 1.332 0.000) 3.218 7.522 ( -4.570 -1.005 0.000) 4.680 7.584 ( -5.098 -1.207 0.000) 5.239 7.791 ( 0.483 0.509 0.000) 0.702 7.811 ( 0.980 -0.157 0.000) 0.992 8.043 ( 1.548 -0.040 0.000) 1.548 8.085 ( 0.864 0.656 0.000) 1.084 8.102 ( 0.525 2.101 0.000) 2.166 8.137 ( 0.733 -0.670 0.000) 0.993 8.159 ( 1.634 -2.621 0.000) 3.089 8.266 ( 1.842 -2.421 0.000) 3.042 8.402 ( 1.805 -2.036 0.000) 2.721 8.463 ( 3.283 -1.265 0.000) 3.518 9.336 ( -5.195 -0.031 0.000) 5.195 9.355 ( -3.669 0.002 0.000) 3.669 9.461 ( -3.125 -0.115 0.000) 3.128 9.468 ( -2.905 0.041 0.000) 2.905 9.668 ( -6.021 0.312 0.000) 6.029 9.739 ( -4.697 0.456 0.000) 4.719 10.092 ( -0.565 0.077 0.000) 0.571 10.116 ( -0.803 0.408 0.000) 0.901 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.941 -0.235 0.000) 2.950 1.692 ( -5.233 0.239 0.000) 5.239 1.718 ( -8.801 0.143 0.000) 8.803 1.863 ( -6.272 4.413 0.000) 7.669 1.939 ( -1.975 -5.395 0.000) 5.745 1.987 ( -3.784 -2.016 0.000) 4.287 2.034 ( -0.372 -3.655 0.000) 3.674 2.083 ( -8.497 -2.384 0.000) 8.826 2.136 ( -3.724 -0.349 0.000) 3.740 2.253 ( -2.441 2.305 0.000) 3.358 2.374 ( -0.443 -2.096 0.000) 2.142 2.384 ( -0.379 -3.906 0.000) 3.925 2.507 ( -2.191 0.750 0.000) 2.316 2.530 ( 1.579 0.251 0.000) 1.599 2.580 ( -4.864 0.791 0.000) 4.928 2.683 ( -1.771 -1.202 0.000) 2.140 2.702 ( -0.010 -0.417 0.000) 0.417 2.708 ( 0.202 -0.029 0.000) 0.204 2.872 ( 0.743 -3.196 0.000) 3.282 2.896 ( -1.503 2.783 0.000) 3.163 2.921 ( -2.611 1.550 0.000) 3.036 3.058 ( 2.317 2.381 0.000) 3.322 3.223 ( -8.392 -2.332 0.000) 8.710 3.302 ( -3.884 -1.971 0.000) 4.356 3.354 ( -2.095 -1.672 0.000) 2.681 3.465 ( 0.581 1.898 0.000) 1.985 3.483 ( 0.372 -1.474 0.000) 1.520 3.484 ( -4.645 1.408 0.000) 4.854 3.662 ( -10.084 0.193 0.000) 10.085 3.699 ( -6.759 0.383 0.000) 6.770 3.716 ( -7.320 1.059 0.000) 7.396 3.781 ( -8.409 0.598 0.000) 8.430 3.814 ( -8.267 1.497 0.000) 8.402 3.942 ( -3.710 0.930 0.000) 3.825 4.227 ( -1.388 0.744 0.000) 1.575 4.234 ( -0.295 0.226 0.000) 0.371 5.841 ( -0.414 -1.403 0.000) 1.463 6.008 ( -5.318 0.587 0.000) 5.351 6.537 ( -6.646 -1.494 0.000) 6.811 6.561 ( -5.107 -0.794 0.000) 5.169 6.770 ( -3.565 -2.695 0.000) 4.469 6.871 ( -1.434 -1.243 0.000) 1.897 7.041 ( -3.846 -0.294 0.000) 3.857 7.104 ( -6.538 0.530 0.000) 6.560 7.291 ( -4.204 1.473 0.000) 4.455 7.397 ( -2.202 2.213 0.000) 3.121 7.442 ( -3.819 -1.195 0.000) 4.002 7.490 ( -4.731 -1.094 0.000) 4.856 7.794 ( 0.371 1.560 0.000) 1.603 7.832 ( 1.056 0.287 0.000) 1.095 8.062 ( 0.835 0.903 0.000) 1.229 8.093 ( 0.731 0.194 0.000) 0.756 8.113 ( 1.551 1.532 0.000) 2.180 8.174 ( 2.234 -0.211 0.000) 2.244 8.230 ( 3.339 -3.645 0.000) 4.943 8.348 ( 4.106 -5.040 0.000) 6.501 8.460 ( 2.182 -3.736 0.000) 4.326 8.546 ( 3.750 -2.698 0.000) 4.620 9.201 ( -8.328 0.074 0.000) 8.328 9.259 ( -5.726 0.522 0.000) 5.750 9.376 ( -5.615 -0.015 0.000) 5.615 9.392 ( -4.815 -0.133 0.000) 4.817 9.526 ( -7.560 0.839 0.000) 7.606 9.614 ( -7.006 0.706 0.000) 7.041 10.089 ( -0.029 0.404 0.000) 0.406 10.099 ( 0.194 -0.030 0.000) 0.196 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -8.732 3.716 0.000) 9.489 1.526 ( -8.319 7.751 0.000) 11.370 1.565 ( -4.823 -0.084 0.000) 4.824 1.728 ( -3.905 5.587 0.000) 6.816 1.844 ( -9.618 -2.522 0.000) 9.944 1.919 ( -3.265 1.955 0.000) 3.806 1.988 ( -2.341 -1.871 0.000) 2.997 2.082 ( -2.263 -2.404 0.000) 3.302 2.095 ( 1.816 -7.182 0.000) 7.408 2.161 ( -5.353 -0.200 0.000) 5.357 2.337 ( -6.421 -2.188 0.000) 6.783 2.347 ( -6.010 -4.440 0.000) 7.472 2.435 ( -5.726 -0.686 0.000) 5.767 2.492 ( 0.782 -3.217 0.000) 3.311 2.580 ( 1.745 1.456 0.000) 2.273 2.608 ( -5.693 1.856 0.000) 5.988 2.710 ( -0.160 0.341 0.000) 0.377 2.732 ( 1.216 -1.445 0.000) 1.889 2.819 ( -5.233 4.520 0.000) 6.915 2.837 ( -3.493 0.885 0.000) 3.604 2.894 ( -0.569 -3.195 0.000) 3.245 3.012 ( -6.784 2.994 0.000) 7.415 3.035 ( -11.913 -2.074 0.000) 12.092 3.181 ( -7.944 -3.885 0.000) 8.843 3.235 ( -9.213 3.681 0.000) 9.921 3.348 ( -3.930 4.177 0.000) 5.735 3.450 ( -6.590 1.187 0.000) 6.696 3.451 ( -6.105 4.898 0.000) 7.827 3.493 ( -1.929 1.865 0.000) 2.683 3.514 ( -11.554 1.919 0.000) 11.712 3.546 ( -6.255 -0.067 0.000) 6.255 3.681 ( -4.055 -1.657 0.000) 4.380 3.694 ( -1.842 -3.709 0.000) 4.141 3.885 ( -2.445 -1.243 0.000) 2.743 4.210 ( 0.255 0.052 0.000) 0.260 4.254 ( 2.210 -0.538 0.000) 2.274 5.849 ( 0.376 -0.022 0.000) 0.377 5.915 ( -3.509 -0.540 0.000) 3.550 6.433 ( -4.645 -1.914 0.000) 5.024 6.486 ( -3.103 -2.788 0.000) 4.171 6.708 ( -3.979 -1.791 0.000) 4.363 6.821 ( -4.186 -0.270 0.000) 4.195 6.937 ( -7.298 0.152 0.000) 7.300 6.943 ( -9.406 0.487 0.000) 9.418 7.258 ( 2.030 0.223 0.000) 2.042 7.344 ( -1.599 3.794 0.000) 4.118 7.388 ( -2.187 -0.888 0.000) 2.361 7.422 ( -2.105 0.483 0.000) 2.159 7.790 ( 0.616 3.241 0.000) 3.299 7.849 ( 1.195 1.355 0.000) 1.806 8.073 ( 0.867 0.902 0.000) 1.251 8.115 ( 1.396 -0.198 0.000) 1.410 8.138 ( 1.738 1.985 0.000) 2.639 8.226 ( 2.762 -0.694 0.000) 2.848 8.320 ( 3.230 -4.312 0.000) 5.388 8.470 ( 4.301 -6.666 0.000) 7.933 8.523 ( 1.421 -4.887 0.000) 5.089 8.634 ( 2.990 -4.001 0.000) 4.995 9.013 ( -10.021 0.536 0.000) 10.035 9.130 ( -6.245 1.692 0.000) 6.470 9.235 ( -8.174 0.511 0.000) 8.190 9.280 ( -6.212 -0.007 0.000) 6.212 9.376 ( -6.701 1.061 0.000) 6.784 9.474 ( -6.413 0.497 0.000) 6.433 10.086 ( 0.542 0.512 0.000) 0.746 10.137 ( 2.792 -1.385 0.000) 3.117 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -12.222 9.691 0.000) 15.598 1.298 ( -8.112 15.665 0.000) 17.641 1.496 ( -3.265 0.747 0.000) 3.350 1.637 ( -1.881 7.090 0.000) 7.336 1.662 ( -8.965 -1.565 0.000) 9.101 1.828 ( -4.577 3.928 0.000) 6.031 1.913 ( -6.521 7.595 0.000) 10.010 1.999 ( -7.507 -5.314 0.000) 9.198 2.071 ( -1.081 -4.234 0.000) 4.370 2.163 ( -10.812 -1.544 0.000) 10.922 2.187 ( -0.309 -1.690 0.000) 1.718 2.258 ( -1.904 -6.876 0.000) 7.135 2.380 ( -12.681 7.171 0.000) 14.568 2.386 ( -2.097 -1.018 0.000) 2.331 2.540 ( 0.838 -1.499 0.000) 1.717 2.580 ( -2.204 1.915 0.000) 2.920 2.654 ( -7.123 2.699 0.000) 7.617 2.674 ( -3.132 0.122 0.000) 3.134 2.733 ( -4.919 1.793 0.000) 5.236 2.796 ( 0.467 -0.353 0.000) 0.585 2.831 ( -5.860 -1.472 0.000) 6.042 2.834 ( -5.078 2.398 0.000) 5.616 2.890 ( -2.299 -1.935 0.000) 3.005 3.040 ( -7.891 2.151 0.000) 8.179 3.054 ( -6.162 -0.255 0.000) 6.167 3.189 ( -11.206 4.762 0.000) 12.176 3.211 ( -13.554 0.461 0.000) 13.562 3.296 ( -5.327 6.042 0.000) 8.055 3.302 ( -6.962 1.152 0.000) 7.057 3.451 ( -5.218 -1.595 0.000) 5.456 3.474 ( 0.478 5.537 0.000) 5.557 3.675 ( 0.894 -3.197 0.000) 3.319 3.702 ( -0.620 -6.588 0.000) 6.617 3.855 ( -1.746 -3.941 0.000) 4.311 4.238 ( 1.964 -1.161 0.000) 2.282 4.314 ( 3.015 -0.798 0.000) 3.118 5.843 ( -0.205 2.860 0.000) 2.867 5.886 ( -0.381 -3.071 0.000) 3.095 6.377 ( -2.052 -1.684 0.000) 2.654 6.473 ( -0.583 -5.052 0.000) 5.085 6.631 ( -4.264 0.211 0.000) 4.269 6.698 ( -8.550 1.493 0.000) 8.679 6.740 ( -9.368 0.784 0.000) 9.401 6.751 ( -11.012 -0.357 0.000) 11.018 7.300 ( -0.111 5.030 0.000) 5.031 7.341 ( 2.931 1.125 0.000) 3.139 7.382 ( 3.963 -1.280 0.000) 4.165 7.391 ( -0.296 3.518 0.000) 3.531 7.782 ( 0.840 4.667 0.000) 4.742 7.871 ( 2.534 2.953 0.000) 3.891 8.092 ( 1.601 0.573 0.000) 1.700 8.149 ( 1.769 -0.300 0.000) 1.794 8.157 ( 1.462 2.580 0.000) 2.966 8.289 ( 2.792 -1.621 0.000) 3.228 8.396 ( 1.486 -4.454 0.000) 4.695 8.556 ( -1.062 -4.028 0.000) 4.166 8.566 ( 0.505 -6.923 0.000) 6.942 8.708 ( 2.316 -4.276 0.000) 4.862 8.815 ( -8.854 0.982 0.000) 8.909 9.013 ( -3.764 2.491 0.000) 4.514 9.072 ( -6.946 1.202 0.000) 7.050 9.162 ( -5.183 0.199 0.000) 5.187 9.245 ( -6.393 -0.091 0.000) 6.393 9.359 ( -4.807 0.528 0.000) 4.836 10.106 ( 1.507 0.150 0.000) 1.514 10.219 ( 3.937 -3.278 0.000) 5.123 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -9.275 15.293 0.000) 17.886 1.020 ( -9.792 18.457 0.000) 20.894 1.392 ( -5.748 5.303 0.000) 7.821 1.524 ( -4.957 1.385 0.000) 5.147 1.570 ( -0.597 9.599 0.000) 9.617 1.701 ( -5.359 -0.322 0.000) 5.369 1.703 ( -6.919 11.686 0.000) 13.581 1.842 ( -8.035 15.973 0.000) 17.880 2.009 ( -2.536 3.182 0.000) 4.069 2.042 ( -7.032 3.562 0.000) 7.882 2.096 ( 0.663 -1.861 0.000) 1.976 2.222 ( -1.966 -2.870 0.000) 3.478 2.282 ( -8.041 2.235 0.000) 8.346 2.287 ( -1.482 -5.266 0.000) 5.470 2.482 ( -5.622 5.995 0.000) 8.219 2.512 ( -1.626 -3.169 0.000) 3.562 2.569 ( 1.525 -1.169 0.000) 1.922 2.656 ( -0.503 1.712 0.000) 1.784 2.660 ( 1.059 0.264 0.000) 1.092 2.750 ( -4.319 0.971 0.000) 4.427 2.771 ( -2.693 -0.549 0.000) 2.749 2.807 ( -1.351 0.585 0.000) 1.472 2.852 ( -2.105 -2.558 0.000) 3.312 2.887 ( -7.123 5.460 0.000) 8.975 2.959 ( -6.866 -1.652 0.000) 7.062 2.961 ( -2.955 0.144 0.000) 2.958 2.996 ( -6.726 -2.640 0.000) 7.225 3.166 ( -4.066 6.156 0.000) 7.378 3.176 ( -5.451 -0.183 0.000) 5.454 3.378 ( -2.657 -2.213 0.000) 3.459 3.444 ( 0.395 7.698 0.000) 7.708 3.712 ( 0.963 -1.515 0.000) 1.795 3.736 ( -0.010 -7.210 0.000) 7.210 3.872 ( 0.383 -6.984 0.000) 6.995 4.288 ( 1.866 -2.129 0.000) 2.830 4.370 ( 1.924 -0.760 0.000) 2.069 5.813 ( -0.375 4.940 0.000) 4.954 5.924 ( 1.218 -6.127 0.000) 6.247 6.365 ( -0.202 -1.255 0.000) 1.272 6.480 ( -6.471 2.146 0.000) 6.817 6.510 ( -2.629 -2.383 0.000) 3.548 6.518 ( -11.381 0.512 0.000) 11.393 6.542 ( -3.916 2.592 0.000) 4.696 6.590 ( -5.139 -0.341 0.000) 5.150 7.281 ( 1.084 6.439 0.000) 6.530 7.349 ( 0.225 0.585 0.000) 0.627 7.362 ( -0.165 5.067 0.000) 5.070 7.530 ( 6.796 -0.285 0.000) 6.802 7.778 ( 1.770 4.492 0.000) 4.828 7.942 ( 7.624 3.799 0.000) 8.518 8.134 ( 2.901 0.295 0.000) 2.916 8.165 ( 0.957 3.038 0.000) 3.185 8.185 ( 1.693 -0.203 0.000) 1.705 8.345 ( 1.176 -2.689 0.000) 2.935 8.406 ( -3.245 -3.198 0.000) 4.555 8.522 ( -2.852 -0.734 0.000) 2.945 8.547 ( -5.294 -4.160 0.000) 6.733 8.688 ( -3.120 -0.347 0.000) 3.139 8.760 ( -0.172 -3.031 0.000) 3.036 8.960 ( -0.635 1.838 0.000) 1.945 8.978 ( -1.399 -0.015 0.000) 1.399 9.080 ( -3.092 -0.060 0.000) 3.093 9.115 ( -7.008 -1.348 0.000) 7.136 9.282 ( -2.263 1.067 0.000) 2.502 10.135 ( 1.240 -0.055 0.000) 1.242 10.319 ( 3.198 -5.435 0.000) 6.306 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 19.454 0.000) 19.454 0.784 ( 0.000 19.612 0.000) 19.612 1.274 ( 0.000 7.192 0.000) 7.192 1.400 ( 0.000 28.383 0.000) 28.383 1.487 ( 0.000 15.199 0.000) 15.199 1.540 ( 0.000 8.524 0.000) 8.524 1.666 ( -0.000 -3.294 0.000) 3.294 1.676 ( 0.000 7.127 0.000) 7.127 1.974 ( 0.000 0.182 0.000) 0.182 1.977 ( 0.000 5.129 0.000) 5.129 2.120 ( -0.000 -1.401 0.000) 1.401 2.157 ( 0.000 1.424 0.000) 1.424 2.209 ( -0.000 -2.333 0.000) 2.333 2.277 ( 0.000 1.007 0.000) 1.007 2.398 ( 0.000 6.365 0.000) 6.365 2.525 ( -0.000 -3.928 0.000) 3.928 2.632 ( -0.000 -0.506 0.000) 0.506 2.633 ( -0.000 -1.592 0.000) 1.592 2.674 ( -0.000 -2.124 0.000) 2.124 2.684 ( -0.000 -0.074 0.000) 0.074 2.729 ( 0.000 0.026 0.000) 0.026 2.762 ( 0.000 8.595 0.000) 8.595 2.764 ( 0.000 1.327 0.000) 1.327 2.849 ( -0.000 -2.840 0.000) 2.840 2.933 ( -0.000 -0.557 0.000) 0.557 2.933 ( -0.000 -1.305 0.000) 1.305 2.938 ( -0.000 -1.653 0.000) 1.653 3.085 ( 0.000 6.353 0.000) 6.353 3.136 ( -0.000 -4.989 0.000) 4.989 3.366 ( -0.000 -1.578 0.000) 1.578 3.403 ( 0.000 8.390 0.000) 8.390 3.725 ( -0.000 -0.026 0.000) 0.026 3.776 ( -0.000 -6.697 0.000) 6.697 3.930 ( -0.000 -8.686 0.000) 8.686 4.323 ( -0.000 -2.382 0.000) 2.382 4.394 ( -0.000 -0.794 0.000) 0.794 5.780 ( 0.000 5.188 0.000) 5.188 5.982 ( -0.000 -7.950 0.000) 7.950 6.351 ( 0.000 4.877 0.000) 4.877 6.363 ( 0.000 4.631 0.000) 4.631 6.373 ( -0.000 -0.893 0.000) 0.893 6.476 ( 0.000 3.332 0.000) 3.332 6.481 ( 0.000 3.427 0.000) 3.427 6.582 ( -0.000 -6.854 0.000) 6.854 7.249 ( 0.000 10.014 0.000) 10.014 7.337 ( 0.000 2.390 0.000) 2.390 7.348 ( 0.000 0.804 0.000) 0.804 7.593 ( 0.000 0.111 0.000) 0.111 7.787 ( 0.000 3.021 0.000) 3.021 8.101 ( -0.000 -2.522 0.000) 2.522 8.158 ( 0.000 3.660 0.000) 3.660 8.177 ( 0.000 0.071 0.000) 0.071 8.221 ( -0.000 -0.125 0.000) 0.125 8.336 ( -0.000 -2.156 0.000) 2.156 8.356 ( -0.000 -2.028 0.000) 2.028 8.462 ( 0.000 0.324 0.000) 0.324 8.492 ( 0.000 0.554 0.000) 0.554 8.671 ( -0.000 -1.447 0.000) 1.447 8.747 ( -0.000 -0.178 0.000) 0.178 8.948 ( 0.000 1.450 0.000) 1.450 9.007 ( -0.000 -0.036 0.000) 0.036 9.013 ( -0.000 -2.838 0.000) 2.838 9.044 ( 0.000 0.122 0.000) 0.122 9.255 ( 0.000 1.478 0.000) 1.478 10.149 ( -0.000 -0.081 0.000) 0.081 10.389 ( -0.000 -6.532 0.000) 6.532 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -2.124 0.000 0.000) 2.124 1.768 ( -2.487 0.000 0.000) 2.487 1.864 ( -8.596 0.000 0.000) 8.596 1.948 ( -3.759 0.000 0.000) 3.759 1.997 ( -3.748 0.000 0.000) 3.748 2.050 ( -3.205 0.000 0.000) 3.205 2.052 ( -5.334 0.000 0.000) 5.334 2.202 ( -3.779 0.000 0.000) 3.779 2.212 ( -3.592 0.000 0.000) 3.592 2.296 ( -0.960 0.000 0.000) 0.960 2.353 ( 1.004 -0.000 0.000) 1.004 2.371 ( -2.324 0.000 0.000) 2.324 2.479 ( 3.496 -0.000 0.000) 3.496 2.531 ( 0.237 -0.000 0.000) 0.237 2.679 ( -3.524 0.000 0.000) 3.524 2.684 ( -0.442 0.000 0.000) 0.442 2.704 ( 0.200 -0.000 0.000) 0.200 2.725 ( -1.401 0.000 0.000) 1.401 2.832 ( -0.151 0.000 0.000) 0.151 2.929 ( 1.053 -0.000 0.000) 1.053 2.960 ( -0.521 0.000 0.000) 0.521 3.008 ( 3.680 -0.000 0.000) 3.680 3.314 ( 0.409 -0.000 0.000) 0.409 3.346 ( -1.053 0.000 0.000) 1.053 3.347 ( -2.469 0.000 0.000) 2.469 3.420 ( 0.437 -0.000 0.000) 0.437 3.445 ( 1.146 -0.000 0.000) 1.146 3.565 ( -1.108 0.000 0.000) 1.108 3.802 ( -3.248 0.000 0.000) 3.248 3.823 ( -2.368 0.000 0.000) 2.368 3.862 ( -9.714 0.000 0.000) 9.714 3.970 ( -8.314 0.000 0.000) 8.314 3.979 ( -6.631 0.000 0.000) 6.631 4.047 ( -5.025 0.000 0.000) 5.025 4.259 ( -1.044 0.000 0.000) 1.044 4.263 ( -1.064 0.000 0.000) 1.064 5.853 ( -2.245 0.000 0.000) 2.245 6.111 ( -3.958 0.000 0.000) 3.958 6.665 ( -4.749 0.000 0.000) 4.749 6.668 ( -6.988 0.000 0.000) 6.988 6.810 ( -3.334 0.000 0.000) 3.334 6.868 ( -0.531 0.000 0.000) 0.531 7.109 ( -3.365 0.000 0.000) 3.365 7.211 ( -3.543 0.000 0.000) 3.543 7.413 ( -5.248 0.000 0.000) 5.248 7.469 ( -2.857 0.000 0.000) 2.857 7.515 ( -4.714 0.000 0.000) 4.714 7.576 ( -5.153 0.000 0.000) 5.153 7.794 ( 0.611 -0.000 0.000) 0.611 7.810 ( 1.047 -0.000 0.000) 1.047 8.042 ( 1.805 -0.000 0.000) 1.805 8.090 ( 1.036 -0.000 0.000) 1.036 8.125 ( -0.048 0.000 0.000) 0.048 8.133 ( 1.840 -0.000 0.000) 1.840 8.133 ( 0.757 -0.000 0.000) 0.757 8.251 ( 1.265 -0.000 0.000) 1.265 8.390 ( 1.572 -0.000 0.000) 1.572 8.455 ( 3.109 -0.000 0.000) 3.109 9.336 ( -5.195 0.000 0.000) 5.195 9.355 ( -3.611 0.000 0.000) 3.611 9.461 ( -3.116 0.000 0.000) 3.116 9.468 ( -2.920 0.000 0.000) 2.920 9.670 ( -5.974 0.000 0.000) 5.974 9.741 ( -4.649 0.000 0.000) 4.649 10.092 ( -0.583 0.000 0.000) 0.583 10.118 ( -0.776 0.000 0.000) 0.776 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -2.764 -0.084 0.000) 2.766 1.694 ( -5.061 0.068 0.000) 5.062 1.726 ( -5.241 0.764 0.000) 5.296 1.889 ( -2.791 -2.794 0.000) 3.949 1.912 ( -4.489 4.130 0.000) 6.100 1.956 ( -3.989 -3.292 0.000) 5.172 2.007 ( -1.457 -1.125 0.000) 1.841 2.062 ( -9.046 -1.115 0.000) 9.114 2.135 ( -3.863 0.080 0.000) 3.864 2.289 ( -1.170 3.830 0.000) 4.005 2.338 ( -1.099 -4.145 0.000) 4.288 2.357 ( -0.942 -0.852 0.000) 1.270 2.513 ( -2.792 0.315 0.000) 2.810 2.530 ( 0.103 -0.062 0.000) 0.120 2.589 ( -3.981 0.512 0.000) 4.014 2.673 ( -0.875 -0.457 0.000) 0.987 2.700 ( -0.662 -0.064 0.000) 0.665 2.707 ( 0.254 -0.073 0.000) 0.264 2.846 ( 0.900 -1.223 0.000) 1.519 2.920 ( -2.228 1.429 0.000) 2.647 2.931 ( -1.460 0.213 0.000) 1.475 3.078 ( 3.024 1.064 0.000) 3.206 3.202 ( -10.015 -1.124 0.000) 10.078 3.285 ( -5.109 -0.947 0.000) 5.196 3.341 ( -0.301 -0.610 0.000) 0.680 3.471 ( 1.172 -0.508 0.000) 1.277 3.479 ( 2.284 0.598 0.000) 2.361 3.498 ( -5.309 0.705 0.000) 5.356 3.664 ( -8.862 0.112 0.000) 8.862 3.700 ( -6.948 -0.058 0.000) 6.948 3.725 ( -7.319 0.406 0.000) 7.331 3.785 ( -9.267 0.174 0.000) 9.268 3.827 ( -8.301 0.661 0.000) 8.327 3.949 ( -4.348 0.286 0.000) 4.358 4.232 ( -1.579 0.267 0.000) 1.601 4.236 ( -0.638 0.096 0.000) 0.645 5.830 ( -0.106 -0.491 0.000) 0.503 6.013 ( -5.516 0.226 0.000) 5.521 6.525 ( -6.891 -0.611 0.000) 6.918 6.553 ( -5.700 -0.399 0.000) 5.714 6.750 ( -3.161 -0.893 0.000) 3.285 6.863 ( -0.929 -0.301 0.000) 0.977 7.038 ( -3.672 -0.165 0.000) 3.676 7.108 ( -6.630 0.170 0.000) 6.632 7.305 ( -4.718 0.824 0.000) 4.790 7.417 ( -1.686 1.105 0.000) 2.016 7.430 ( -3.710 -0.726 0.000) 3.780 7.478 ( -4.647 -0.767 0.000) 4.710 7.806 ( 0.793 0.571 0.000) 0.977 7.834 ( 1.334 0.114 0.000) 1.339 8.069 ( 0.960 0.321 0.000) 1.012 8.096 ( 0.495 0.221 0.000) 0.542 8.137 ( 1.895 2.193 0.000) 2.898 8.177 ( 2.667 0.444 0.000) 2.704 8.191 ( 2.913 -2.853 0.000) 4.078 8.303 ( 3.331 -2.522 0.000) 4.178 8.431 ( 1.924 -1.391 0.000) 2.374 8.526 ( 3.550 -0.878 0.000) 3.657 9.201 ( -8.233 0.028 0.000) 8.233 9.263 ( -5.449 0.180 0.000) 5.452 9.376 ( -5.523 0.004 0.000) 5.523 9.391 ( -4.854 -0.029 0.000) 4.854 9.532 ( -7.389 0.285 0.000) 7.394 9.619 ( -7.137 0.209 0.000) 7.140 10.091 ( 0.603 0.053 0.000) 0.605 10.100 ( -0.723 0.076 0.000) 0.727 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -4.790 1.714 0.000) 5.088 1.565 ( -6.529 0.057 0.000) 6.529 1.625 ( -2.734 9.270 0.000) 9.665 1.795 ( -3.522 6.002 0.000) 6.959 1.824 ( -7.794 -1.375 0.000) 7.914 1.921 ( -1.589 -1.911 0.000) 2.485 1.931 ( -3.514 -7.050 0.000) 7.877 2.018 ( 1.107 -5.216 0.000) 5.332 2.070 ( -2.437 0.326 0.000) 2.459 2.198 ( -5.501 5.260 0.000) 7.611 2.302 ( -7.473 -3.339 0.000) 8.185 2.309 ( -6.180 -3.201 0.000) 6.959 2.428 ( -5.372 -0.560 0.000) 5.401 2.455 ( -0.933 -2.786 0.000) 2.938 2.593 ( 1.671 0.833 0.000) 1.868 2.633 ( -3.145 2.116 0.000) 3.790 2.713 ( -0.017 0.095 0.000) 0.097 2.714 ( 0.921 -1.688 0.000) 1.923 2.845 ( -4.552 0.635 0.000) 4.596 2.866 ( -0.226 -1.823 0.000) 1.837 2.872 ( -4.065 4.499 0.000) 6.064 2.996 ( -10.656 -4.102 0.000) 11.418 3.047 ( -8.840 3.183 0.000) 9.396 3.138 ( -6.051 -3.697 0.000) 7.091 3.278 ( -7.021 3.193 0.000) 7.712 3.390 ( -2.618 3.187 0.000) 4.124 3.459 ( -6.230 0.451 0.000) 6.247 3.492 ( 0.388 1.872 0.000) 1.912 3.521 ( -4.720 3.289 0.000) 5.753 3.529 ( -12.102 0.697 0.000) 12.123 3.539 ( -7.986 -1.021 0.000) 8.051 3.652 ( -4.326 -3.521 0.000) 5.578 3.669 ( -6.126 -0.635 0.000) 6.159 3.874 ( -3.391 -0.716 0.000) 3.465 4.211 ( -0.239 0.032 0.000) 0.241 4.249 ( 1.984 -0.317 0.000) 2.009 5.849 ( 1.494 0.014 0.000) 1.494 5.910 ( -4.291 -0.256 0.000) 4.298 6.415 ( -4.530 -1.208 0.000) 4.688 6.460 ( -3.973 -1.663 0.000) 4.307 6.693 ( -3.095 -0.876 0.000) 3.217 6.821 ( -3.554 0.041 0.000) 3.554 6.940 ( -7.102 0.222 0.000) 7.105 6.947 ( -9.374 0.281 0.000) 9.378 7.260 ( 1.497 0.129 0.000) 1.503 7.378 ( -1.923 -0.693 0.000) 2.044 7.380 ( -1.648 2.561 0.000) 3.045 7.422 ( -0.674 -0.422 0.000) 0.795 7.820 ( 1.312 1.985 0.000) 2.380 7.861 ( 1.639 0.743 0.000) 1.800 8.081 ( 0.674 0.574 0.000) 0.885 8.114 ( 1.282 -0.027 0.000) 1.283 8.167 ( 2.419 3.111 0.000) 3.941 8.225 ( 2.557 0.479 0.000) 2.602 8.273 ( 3.024 -4.143 0.000) 5.129 8.402 ( 4.040 -4.982 0.000) 6.415 8.478 ( 1.534 -2.869 0.000) 3.254 8.601 ( 3.114 -1.864 0.000) 3.629 9.018 ( -9.812 0.278 0.000) 9.816 9.144 ( -5.861 0.875 0.000) 5.926 9.240 ( -7.845 0.262 0.000) 7.849 9.280 ( -6.095 -0.020 0.000) 6.095 9.386 ( -6.951 0.671 0.000) 6.983 9.476 ( -6.680 0.066 0.000) 6.681 10.091 ( 0.353 0.360 0.000) 0.504 10.125 ( 2.232 -0.842 0.000) 2.386 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -9.803 7.402 0.000) 12.284 1.481 ( -5.794 16.130 0.000) 17.139 1.496 ( -2.557 -0.476 0.000) 2.601 1.660 ( -6.880 1.043 0.000) 6.958 1.716 ( -0.997 6.533 0.000) 6.609 1.877 ( -4.366 4.305 0.000) 6.132 1.925 ( -4.076 -7.551 0.000) 8.580 1.996 ( -6.724 6.522 0.000) 9.368 2.023 ( -3.545 -3.634 0.000) 5.077 2.121 ( 2.890 -8.614 0.000) 9.086 2.135 ( -6.649 -3.359 0.000) 7.449 2.208 ( -4.059 -1.976 0.000) 4.514 2.378 ( -1.376 -0.503 0.000) 1.465 2.454 ( -6.430 3.819 0.000) 7.478 2.521 ( -1.917 -0.482 0.000) 1.976 2.602 ( -2.262 2.073 0.000) 3.068 2.670 ( -4.690 -0.959 0.000) 4.787 2.678 ( -7.156 1.762 0.000) 7.369 2.740 ( -2.295 -0.643 0.000) 2.383 2.797 ( -1.078 0.685 0.000) 1.278 2.812 ( -5.132 -1.619 0.000) 5.381 2.863 ( -4.013 1.946 0.000) 4.460 2.876 ( -3.021 -0.638 0.000) 3.088 3.053 ( -4.800 -0.028 0.000) 4.800 3.083 ( -8.516 5.642 0.000) 10.216 3.212 ( -14.662 0.590 0.000) 14.674 3.236 ( -14.398 1.981 0.000) 14.534 3.330 ( -3.678 4.222 0.000) 5.600 3.369 ( -5.117 6.824 0.000) 8.529 3.413 ( -7.627 -4.800 0.000) 9.012 3.526 ( 1.681 3.611 0.000) 3.983 3.625 ( -1.769 -7.018 0.000) 7.238 3.631 ( 0.199 -4.283 0.000) 4.288 3.821 ( -2.631 -2.200 0.000) 3.429 4.226 ( 1.358 -0.900 0.000) 1.629 4.306 ( 3.059 -0.565 0.000) 3.111 5.857 ( -1.577 -1.971 0.000) 2.524 5.874 ( 1.365 2.380 0.000) 2.744 6.359 ( -1.831 -1.318 0.000) 2.256 6.422 ( -1.405 -3.885 0.000) 4.131 6.634 ( -3.136 0.297 0.000) 3.150 6.715 ( -7.285 1.497 0.000) 7.437 6.747 ( -9.331 0.371 0.000) 9.339 6.754 ( -10.672 0.548 0.000) 10.686 7.339 ( -0.790 2.217 0.000) 2.354 7.349 ( 2.573 0.453 0.000) 2.613 7.369 ( 4.548 -1.062 0.000) 4.670 7.432 ( 1.807 3.393 0.000) 3.845 7.832 ( 1.378 3.960 0.000) 4.193 7.896 ( 2.688 1.443 0.000) 3.051 8.097 ( 1.301 0.366 0.000) 1.352 8.145 ( 1.749 -0.234 0.000) 1.764 8.192 ( 1.961 3.560 0.000) 4.065 8.275 ( 2.284 -0.841 0.000) 2.434 8.347 ( 1.703 -4.298 0.000) 4.623 8.494 ( 1.462 -5.587 0.000) 5.776 8.516 ( 0.216 -3.060 0.000) 3.067 8.671 ( 2.849 -2.370 0.000) 3.706 8.824 ( -8.962 0.611 0.000) 8.983 9.036 ( -3.933 1.576 0.000) 4.237 9.083 ( -7.026 0.726 0.000) 7.063 9.163 ( -5.232 0.078 0.000) 5.233 9.245 ( -7.040 0.135 0.000) 7.042 9.362 ( -4.728 0.077 0.000) 4.729 10.108 ( 1.339 0.138 0.000) 1.346 10.188 ( 3.081 -2.259 0.000) 3.820 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -7.051 12.614 0.000) 14.451 1.206 ( -11.410 14.156 0.000) 18.182 1.437 ( -3.561 2.621 0.000) 4.421 1.554 ( -2.604 4.315 0.000) 5.040 1.666 ( -1.353 7.046 0.000) 7.175 1.707 ( -6.085 1.410 0.000) 6.246 1.803 ( -2.633 7.071 0.000) 7.545 1.953 ( 0.162 3.153 0.000) 3.157 2.006 ( -0.548 -3.281 0.000) 3.327 2.106 ( 1.775 3.104 0.000) 3.576 2.142 ( -6.574 7.592 0.000) 10.043 2.186 ( -2.590 -4.187 0.000) 4.923 2.234 ( -2.985 2.192 0.000) 3.703 2.310 ( -6.720 2.827 0.000) 7.291 2.473 ( -3.871 -3.631 0.000) 5.307 2.544 ( -3.455 4.857 0.000) 5.961 2.555 ( 2.264 -1.776 0.000) 2.877 2.663 ( 1.400 0.297 0.000) 1.432 2.674 ( -3.404 1.956 0.000) 3.926 2.766 ( -3.090 1.091 0.000) 3.277 2.767 ( -2.155 -0.290 0.000) 2.175 2.817 ( -0.787 1.735 0.000) 1.905 2.829 ( -2.148 -1.637 0.000) 2.700 2.932 ( -4.415 2.190 0.000) 4.929 2.941 ( -10.281 -1.422 0.000) 10.379 2.963 ( -3.533 0.286 0.000) 3.544 2.971 ( -9.260 -1.838 0.000) 9.441 3.205 ( -5.909 5.493 0.000) 8.068 3.242 ( -3.417 7.243 0.000) 8.008 3.328 ( -3.532 -6.547 0.000) 7.439 3.518 ( 0.227 4.735 0.000) 4.740 3.653 ( 0.147 -7.016 0.000) 7.018 3.678 ( 1.203 -4.604 0.000) 4.759 3.803 ( -0.881 -4.689 0.000) 4.771 4.265 ( 1.428 -2.006 0.000) 2.462 4.362 ( 1.982 -0.555 0.000) 2.058 5.864 ( 0.182 -4.440 0.000) 4.443 5.871 ( 0.536 5.086 0.000) 5.114 6.350 ( -0.081 -1.283 0.000) 1.285 6.444 ( 0.715 -5.518 0.000) 5.564 6.526 ( -7.962 2.918 0.000) 8.480 6.535 ( -9.065 2.049 0.000) 9.293 6.569 ( -3.114 2.123 0.000) 3.769 6.602 ( -5.768 1.521 0.000) 5.965 7.322 ( 0.175 2.051 0.000) 2.059 7.352 ( 0.081 0.061 0.000) 0.101 7.438 ( 1.466 7.100 0.000) 7.250 7.528 ( 7.254 -0.153 0.000) 7.255 7.830 ( 1.156 4.725 0.000) 4.864 7.967 ( 5.508 0.774 0.000) 5.562 8.132 ( 2.221 -0.256 0.000) 2.236 8.183 ( 1.805 -0.231 0.000) 1.819 8.206 ( 1.698 3.809 0.000) 4.171 8.316 ( 0.515 -2.385 0.000) 2.440 8.370 ( -2.015 -3.172 0.000) 3.758 8.505 ( -2.727 -3.192 0.000) 4.198 8.512 ( -1.362 -0.849 0.000) 1.605 8.684 ( -4.284 -0.341 0.000) 4.297 8.733 ( 1.525 -1.848 0.000) 2.396 8.978 ( -1.159 1.350 0.000) 1.780 8.979 ( -2.405 0.200 0.000) 2.413 9.079 ( -3.113 -0.006 0.000) 3.113 9.104 ( -7.013 -0.625 0.000) 7.041 9.290 ( -2.229 0.438 0.000) 2.271 10.135 ( 1.174 -0.060 0.000) 1.176 10.264 ( 2.440 -4.215 0.000) 4.870 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 16.413 0.000) 16.413 0.983 ( 0.000 15.379 0.000) 15.379 1.352 ( 0.000 6.359 0.000) 6.359 1.504 ( 0.000 3.999 0.000) 3.999 1.619 ( 0.000 3.098 0.000) 3.098 1.646 ( 0.000 4.615 0.000) 4.615 1.760 ( 0.000 7.685 0.000) 7.685 1.850 ( 0.000 31.748 0.000) 31.748 1.977 ( 0.000 0.283 0.000) 0.283 2.012 ( 0.000 0.212 0.000) 0.212 2.136 ( 0.000 5.059 0.000) 5.059 2.173 ( 0.000 1.297 0.000) 1.297 2.178 ( -0.000 -3.221 0.000) 3.221 2.245 ( -0.000 -5.242 0.000) 5.242 2.476 ( -0.000 -4.767 0.000) 4.767 2.480 ( 0.000 7.903 0.000) 7.903 2.613 ( -0.000 -1.942 0.000) 1.942 2.649 ( -0.000 -2.173 0.000) 2.173 2.653 ( 0.000 4.001 0.000) 4.001 2.686 ( 0.000 0.347 0.000) 0.347 2.729 ( 0.000 0.044 0.000) 0.044 2.779 ( 0.000 1.294 0.000) 1.294 2.821 ( -0.000 -1.993 0.000) 1.993 2.835 ( 0.000 2.357 0.000) 2.357 2.914 ( -0.000 -2.836 0.000) 2.836 2.919 ( -0.000 -1.137 0.000) 1.137 2.926 ( -0.000 -0.552 0.000) 0.552 3.106 ( 0.000 1.526 0.000) 1.526 3.164 ( 0.000 7.430 0.000) 7.430 3.330 ( -0.000 -5.124 0.000) 5.124 3.489 ( 0.000 6.388 0.000) 6.388 3.696 ( -0.000 -7.247 0.000) 7.247 3.711 ( -0.000 -2.551 0.000) 2.551 3.835 ( -0.000 -7.737 0.000) 7.737 4.294 ( -0.000 -2.576 0.000) 2.576 4.386 ( -0.000 -0.650 0.000) 0.650 5.843 ( 0.000 5.970 0.000) 5.970 5.900 ( -0.000 -6.360 0.000) 6.360 6.360 ( -0.000 -1.337 0.000) 1.337 6.406 ( 0.000 4.640 0.000) 4.640 6.415 ( 0.000 4.392 0.000) 4.392 6.503 ( -0.000 -7.103 0.000) 7.103 6.514 ( 0.000 3.231 0.000) 3.231 6.520 ( 0.000 3.328 0.000) 3.328 7.314 ( 0.000 2.389 0.000) 2.389 7.353 ( 0.000 0.139 0.000) 0.139 7.406 ( 0.000 8.818 0.000) 8.818 7.600 ( 0.000 0.845 0.000) 0.845 7.824 ( 0.000 3.644 0.000) 3.644 8.069 ( -0.000 -3.139 0.000) 3.139 8.163 ( -0.000 -0.592 0.000) 0.592 8.214 ( 0.000 4.301 0.000) 4.301 8.217 ( -0.000 -0.611 0.000) 0.611 8.312 ( -0.000 -2.049 0.000) 2.049 8.333 ( -0.000 -1.897 0.000) 1.897 8.464 ( 0.000 0.178 0.000) 0.178 8.497 ( 0.000 0.385 0.000) 0.385 8.653 ( -0.000 -1.584 0.000) 1.584 8.745 ( -0.000 -0.162 0.000) 0.162 8.963 ( 0.000 1.119 0.000) 1.119 8.987 ( -0.000 -1.724 0.000) 1.724 9.006 ( -0.000 -0.033 0.000) 0.033 9.045 ( 0.000 0.115 0.000) 0.115 9.266 ( 0.000 0.672 0.000) 0.672 10.148 ( -0.000 -0.117 0.000) 0.117 10.319 ( -0.000 -5.663 0.000) 5.663 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -2.763 0.000 0.000) 2.763 1.566 ( -7.742 0.000 0.000) 7.742 1.698 ( 1.618 -0.000 0.000) 1.618 1.808 ( -5.144 0.000 0.000) 5.144 1.844 ( -3.945 0.000 0.000) 3.945 1.878 ( -7.995 0.000 0.000) 7.995 1.894 ( -0.748 0.000 0.000) 0.748 1.988 ( -0.001 0.000 0.000) 0.001 2.076 ( -1.676 0.000 0.000) 1.676 2.255 ( -3.327 0.000 0.000) 3.327 2.266 ( -7.235 0.000 0.000) 7.235 2.281 ( -8.527 0.000 0.000) 8.527 2.424 ( -5.227 0.000 0.000) 5.227 2.438 ( -2.004 0.000 0.000) 2.004 2.598 ( 1.637 -0.000 0.000) 1.637 2.647 ( -2.181 0.000 0.000) 2.181 2.701 ( 0.579 -0.000 0.000) 0.579 2.713 ( 0.033 -0.000 0.000) 0.033 2.849 ( -4.618 0.000 0.000) 4.618 2.855 ( -0.092 0.000 0.000) 0.092 2.908 ( -1.636 0.000 0.000) 1.636 2.962 ( -12.582 0.000 0.000) 12.582 3.075 ( -13.988 0.000 0.000) 13.988 3.107 ( -0.948 0.000 0.000) 0.948 3.297 ( -5.468 0.000 0.000) 5.468 3.411 ( -1.747 0.000 0.000) 1.747 3.461 ( -6.175 0.000 0.000) 6.175 3.501 ( 2.193 -0.000 0.000) 2.193 3.531 ( -9.244 0.000 0.000) 9.244 3.532 ( -12.316 0.000 0.000) 12.316 3.547 ( -4.056 0.000 0.000) 4.056 3.626 ( -6.375 0.000 0.000) 6.375 3.665 ( -7.151 0.000 0.000) 7.151 3.870 ( -3.680 0.000 0.000) 3.680 4.211 ( -0.420 0.000 0.000) 0.420 4.247 ( 1.899 -0.000 0.000) 1.899 5.849 ( 1.907 -0.000 0.000) 1.907 5.909 ( -4.568 0.000 0.000) 4.568 6.408 ( -4.469 0.000 0.000) 4.469 6.451 ( -4.260 0.000 0.000) 4.260 6.688 ( -2.787 0.000 0.000) 2.787 6.821 ( -3.363 0.000 0.000) 3.363 6.941 ( -6.972 0.000 0.000) 6.972 6.949 ( -9.354 0.000 0.000) 9.354 7.261 ( 1.188 -0.000 0.000) 1.188 7.374 ( -1.746 0.000 0.000) 1.746 7.398 ( -3.043 0.000 0.000) 3.043 7.416 ( 1.208 -0.000 0.000) 1.208 7.832 ( 1.611 -0.000 0.000) 1.611 7.866 ( 1.759 -0.000 0.000) 1.759 8.085 ( 0.617 -0.000 0.000) 0.617 8.114 ( 1.201 -0.000 0.000) 1.201 8.195 ( 2.812 -0.000 0.000) 2.812 8.230 ( 2.391 -0.000 0.000) 2.391 8.239 ( 2.802 -0.000 0.000) 2.802 8.370 ( 4.057 -0.000 0.000) 4.057 8.462 ( 1.575 -0.000 0.000) 1.575 8.591 ( 3.168 -0.000 0.000) 3.168 9.019 ( -9.742 0.000 0.000) 9.742 9.149 ( -5.732 0.000 0.000) 5.732 9.241 ( -7.751 0.000 0.000) 7.751 9.280 ( -6.061 0.000 0.000) 6.061 9.390 ( -7.006 0.000 0.000) 7.006 9.476 ( -6.786 0.000 0.000) 6.786 10.093 ( 0.261 -0.000 0.000) 0.261 10.120 ( 2.061 -0.000 0.000) 2.061 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -8.433 3.097 0.000) 8.984 1.489 ( -2.188 -0.609 0.000) 2.271 1.631 ( -10.577 6.913 0.000) 12.636 1.697 ( -1.615 8.108 0.000) 8.267 1.777 ( -1.439 3.631 0.000) 3.906 1.827 ( -0.479 -10.095 0.000) 10.106 1.901 ( -0.001 -0.398 0.000) 0.398 2.010 ( -12.162 1.520 0.000) 12.256 2.021 ( 1.528 -3.273 0.000) 3.612 2.070 ( -6.828 1.667 0.000) 7.029 2.093 ( -0.669 -3.412 0.000) 3.477 2.193 ( -3.332 -0.826 0.000) 3.433 2.374 ( -1.010 -0.141 0.000) 1.020 2.455 ( 1.715 -1.244 0.000) 2.119 2.541 ( -8.063 1.953 0.000) 8.296 2.625 ( -0.326 1.646 0.000) 1.678 2.655 ( -7.714 -1.340 0.000) 7.829 2.698 ( -4.417 1.919 0.000) 4.816 2.722 ( -3.317 -2.109 0.000) 3.931 2.799 ( -4.176 -0.603 0.000) 4.219 2.807 ( -2.407 0.723 0.000) 2.513 2.872 ( -3.614 -0.160 0.000) 3.617 2.874 ( -1.736 0.252 0.000) 1.754 3.053 ( -4.045 0.022 0.000) 4.045 3.153 ( -7.628 5.102 0.000) 9.177 3.218 ( -15.056 0.330 0.000) 15.059 3.243 ( -15.622 0.012 0.000) 15.622 3.348 ( -10.200 -3.881 0.000) 10.913 3.387 ( -1.992 2.809 0.000) 3.444 3.445 ( -4.392 6.205 0.000) 7.602 3.542 ( -3.532 -4.513 0.000) 5.731 3.559 ( 2.871 -0.476 0.000) 2.910 3.587 ( -1.499 -2.801 0.000) 3.177 3.805 ( -2.874 -0.646 0.000) 2.945 4.219 ( 0.979 -0.340 0.000) 1.037 4.302 ( 3.110 -0.199 0.000) 3.116 5.842 ( -2.197 -0.671 0.000) 2.297 5.893 ( 2.461 0.959 0.000) 2.641 6.349 ( -1.690 -0.494 0.000) 1.761 6.390 ( -2.091 -1.487 0.000) 2.566 6.637 ( -2.471 0.161 0.000) 2.476 6.729 ( -5.849 0.744 0.000) 5.896 6.748 ( -10.034 -0.039 0.000) 10.034 6.759 ( -10.438 0.292 0.000) 10.442 7.353 ( 1.451 0.300 0.000) 1.482 7.354 ( -1.165 0.652 0.000) 1.335 7.359 ( 5.819 -0.605 0.000) 5.851 7.460 ( 3.042 1.279 0.000) 3.300 7.866 ( 2.079 1.804 0.000) 2.753 7.904 ( 2.263 0.183 0.000) 2.270 8.100 ( 1.121 0.179 0.000) 1.135 8.143 ( 1.714 -0.102 0.000) 1.717 8.234 ( 2.105 3.352 0.000) 3.958 8.270 ( 1.660 -0.063 0.000) 1.662 8.300 ( 1.899 -3.548 0.000) 4.024 8.447 ( 2.389 -2.349 0.000) 3.350 8.491 ( 0.929 -1.144 0.000) 1.474 8.654 ( 3.093 -0.740 0.000) 3.180 8.828 ( -9.017 0.207 0.000) 9.019 9.048 ( -4.008 0.538 0.000) 4.044 9.088 ( -7.030 0.241 0.000) 7.034 9.164 ( -5.247 0.019 0.000) 5.247 9.247 ( -7.395 0.100 0.000) 7.396 9.362 ( -4.649 -0.035 0.000) 4.650 10.109 ( 1.231 0.072 0.000) 1.233 10.170 ( 2.638 -0.818 0.000) 2.762 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -5.755 7.582 0.000) 9.519 1.330 ( -13.354 7.485 0.000) 15.309 1.454 ( -1.594 0.634 0.000) 1.715 1.613 ( -2.224 5.247 0.000) 5.699 1.710 ( -10.847 1.415 0.000) 10.939 1.746 ( 0.356 4.653 0.000) 4.667 1.864 ( 1.387 3.527 0.000) 3.790 1.960 ( 0.992 -4.203 0.000) 4.319 1.971 ( -0.139 1.456 0.000) 1.462 2.106 ( -0.773 -7.117 0.000) 7.159 2.140 ( 3.370 2.308 0.000) 4.084 2.144 ( -1.999 -2.032 0.000) 2.850 2.344 ( -4.203 2.971 0.000) 5.147 2.361 ( -2.775 11.269 0.000) 11.606 2.433 ( -6.675 -3.349 0.000) 7.468 2.529 ( 3.216 -2.577 0.000) 4.121 2.592 ( -2.544 3.742 0.000) 4.525 2.667 ( 1.879 0.253 0.000) 1.896 2.697 ( -2.194 1.181 0.000) 2.492 2.765 ( -1.796 -0.103 0.000) 1.799 2.767 ( -2.674 -0.118 0.000) 2.677 2.815 ( -2.256 -0.800 0.000) 2.394 2.851 ( -0.145 3.261 0.000) 3.264 2.922 ( -11.206 -1.433 0.000) 11.297 2.945 ( -11.209 -1.936 0.000) 11.375 2.967 ( -3.997 0.243 0.000) 4.004 2.972 ( -8.608 5.442 0.000) 10.184 3.208 ( -7.626 -10.068 0.000) 12.630 3.310 ( -2.083 7.202 0.000) 7.497 3.328 ( -2.894 7.984 0.000) 8.492 3.516 ( -1.941 -5.752 0.000) 6.070 3.612 ( 1.102 -4.084 0.000) 4.230 3.612 ( 1.541 -2.107 0.000) 2.611 3.769 ( -1.284 -1.605 0.000) 2.055 4.246 ( 1.085 -1.233 0.000) 1.642 4.357 ( 2.061 -0.256 0.000) 2.077 5.826 ( -0.436 -2.278 0.000) 2.319 5.922 ( 1.477 3.615 0.000) 3.905 6.338 ( -0.046 -0.802 0.000) 0.804 6.387 ( 0.144 -4.061 0.000) 4.064 6.554 ( -7.500 1.805 0.000) 7.714 6.557 ( -8.118 1.591 0.000) 8.273 6.588 ( -2.246 1.140 0.000) 2.518 6.617 ( -5.151 0.996 0.000) 5.247 7.339 ( -0.140 0.937 0.000) 0.948 7.351 ( 0.014 -0.077 0.000) 0.079 7.503 ( 2.424 4.119 0.000) 4.779 7.526 ( 7.697 -0.118 0.000) 7.698 7.882 ( 1.192 4.265 0.000) 4.428 7.963 ( 3.414 -1.357 0.000) 3.674 8.131 ( 1.918 -0.070 0.000) 1.919 8.180 ( 1.805 -0.195 0.000) 1.815 8.248 ( 1.535 3.498 0.000) 3.820 8.294 ( 0.072 -1.439 0.000) 1.441 8.335 ( -0.798 -3.093 0.000) 3.194 8.476 ( -0.566 -1.747 0.000) 1.837 8.504 ( -0.185 -0.580 0.000) 0.609 8.681 ( -5.170 -0.211 0.000) 5.174 8.718 ( 2.436 -0.862 0.000) 2.584 8.982 ( -2.958 0.179 0.000) 2.963 8.990 ( -1.526 0.702 0.000) 1.680 9.079 ( -3.106 0.007 0.000) 3.106 9.100 ( -7.021 -0.208 0.000) 7.024 9.293 ( -2.224 0.093 0.000) 2.226 10.134 ( 1.115 -0.020 0.000) 1.115 10.227 ( 1.962 -2.290 0.000) 3.016 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 11.628 0.000) 11.628 1.126 ( 0.000 9.907 0.000) 9.907 1.413 ( 0.000 4.306 0.000) 4.306 1.559 ( 0.000 5.573 0.000) 5.573 1.604 ( -0.000 -1.768 0.000) 1.768 1.725 ( 0.000 5.693 0.000) 5.693 1.845 ( 0.000 7.120 0.000) 7.120 1.980 ( 0.000 0.124 0.000) 0.124 1.993 ( -0.000 -2.701 0.000) 2.701 2.099 ( 0.000 2.611 0.000) 2.611 2.138 ( -0.000 -3.836 0.000) 3.836 2.185 ( 0.000 0.892 0.000) 0.892 2.213 ( 0.000 7.339 0.000) 7.339 2.251 ( 0.000 16.136 0.000) 16.136 2.422 ( -0.000 -4.529 0.000) 4.529 2.572 ( 0.000 8.296 0.000) 8.296 2.593 ( -0.000 -1.360 0.000) 1.360 2.626 ( -0.000 -1.952 0.000) 1.952 2.691 ( 0.000 0.513 0.000) 0.513 2.707 ( 0.000 4.072 0.000) 4.072 2.729 ( 0.000 0.045 0.000) 0.045 2.792 ( 0.000 0.959 0.000) 0.959 2.804 ( -0.000 -1.085 0.000) 1.085 2.817 ( -0.000 -3.884 0.000) 3.884 2.871 ( -0.000 -3.570 0.000) 3.570 2.908 ( -0.000 -0.756 0.000) 0.756 2.921 ( -0.000 -0.410 0.000) 0.410 3.151 ( 0.000 0.461 0.000) 0.461 3.252 ( 0.000 8.207 0.000) 8.207 3.269 ( -0.000 -1.617 0.000) 1.617 3.523 ( -0.000 -2.148 0.000) 2.148 3.635 ( -0.000 -1.870 0.000) 1.870 3.659 ( -0.000 -6.753 0.000) 6.753 3.771 ( -0.000 -3.317 0.000) 3.317 4.267 ( -0.000 -2.024 0.000) 2.024 4.380 ( -0.000 -0.334 0.000) 0.334 5.842 ( -0.000 -3.963 0.000) 3.963 5.910 ( 0.000 5.494 0.000) 5.494 6.345 ( -0.000 -1.145 0.000) 1.145 6.426 ( -0.000 -6.250 0.000) 6.250 6.452 ( 0.000 3.299 0.000) 3.299 6.458 ( 0.000 3.112 0.000) 3.112 6.546 ( 0.000 2.374 0.000) 2.374 6.553 ( 0.000 2.447 0.000) 2.447 7.332 ( 0.000 1.164 0.000) 1.164 7.353 ( -0.000 -0.125 0.000) 0.125 7.498 ( 0.000 6.704 0.000) 6.704 7.609 ( 0.000 0.642 0.000) 0.642 7.869 ( 0.000 4.424 0.000) 4.424 8.030 ( -0.000 -3.860 0.000) 3.860 8.158 ( -0.000 -0.363 0.000) 0.363 8.209 ( -0.000 -0.667 0.000) 0.667 8.258 ( 0.000 3.204 0.000) 3.204 8.291 ( -0.000 -1.494 0.000) 1.494 8.315 ( -0.000 -1.368 0.000) 1.368 8.466 ( 0.000 0.071 0.000) 0.071 8.500 ( 0.000 0.215 0.000) 0.215 8.636 ( -0.000 -1.351 0.000) 1.351 8.744 ( -0.000 -0.091 0.000) 0.091 8.973 ( 0.000 0.661 0.000) 0.661 8.973 ( -0.000 -0.800 0.000) 0.800 9.006 ( -0.000 -0.023 0.000) 0.023 9.046 ( 0.000 0.081 0.000) 0.081 9.271 ( 0.000 0.179 0.000) 0.179 10.147 ( -0.000 -0.093 0.000) 0.093 10.265 ( -0.000 -3.769 0.000) 3.769 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -5.358 0.000 0.000) 5.358 1.372 ( -14.011 0.000 0.000) 14.011 1.456 ( -0.876 0.000 0.000) 0.876 1.648 ( -2.741 0.000 0.000) 2.741 1.718 ( -11.495 0.000 0.000) 11.495 1.777 ( -0.835 0.000 0.000) 0.835 1.882 ( 4.107 -0.000 0.000) 4.107 1.931 ( 2.079 -0.000 0.000) 2.079 1.989 ( -1.690 0.000 0.000) 1.690 2.053 ( 0.518 -0.000 0.000) 0.518 2.132 ( -2.800 0.000 0.000) 2.800 2.153 ( 3.980 -0.000 0.000) 3.980 2.367 ( 0.060 -0.000 0.000) 0.060 2.407 ( -10.884 0.000 0.000) 10.884 2.431 ( 0.257 -0.000 0.000) 0.257 2.509 ( 3.671 -0.000 0.000) 3.671 2.620 ( -2.439 0.000 0.000) 2.439 2.668 ( 2.101 -0.000 0.000) 2.101 2.695 ( -0.674 0.000 0.000) 0.674 2.764 ( -1.676 0.000 0.000) 1.676 2.771 ( -2.653 0.000 0.000) 2.653 2.810 ( -2.319 0.000 0.000) 2.319 2.870 ( 0.756 -0.000 0.000) 0.756 2.912 ( -13.985 0.000 0.000) 13.985 2.932 ( -12.057 0.000 0.000) 12.057 2.968 ( -4.173 0.000 0.000) 4.173 3.067 ( -5.600 0.000 0.000) 5.600 3.083 ( -11.778 0.000 0.000) 11.778 3.367 ( -1.644 0.000 0.000) 1.644 3.403 ( -2.209 0.000 0.000) 2.209 3.448 ( -2.790 0.000 0.000) 2.790 3.562 ( -0.174 0.000 0.000) 0.174 3.620 ( 2.354 -0.000 0.000) 2.354 3.761 ( -1.280 0.000 0.000) 1.280 4.239 ( 0.954 -0.000 0.000) 0.954 4.356 ( 2.098 -0.000 0.000) 2.098 5.813 ( -0.639 0.000 0.000) 0.639 5.944 ( 1.951 -0.000 0.000) 1.951 6.333 ( -0.044 0.000 0.000) 0.044 6.363 ( -0.259 0.000 0.000) 0.259 6.564 ( -7.363 0.000 0.000) 7.363 6.566 ( -8.006 0.000 0.000) 8.006 6.595 ( -1.763 0.000 0.000) 1.763 6.622 ( -4.849 0.000 0.000) 4.849 7.344 ( -0.202 0.000 0.000) 0.202 7.351 ( -0.002 0.000 0.000) 0.002 7.525 ( 7.862 -0.000 0.000) 7.862 7.527 ( 2.748 -0.000 0.000) 2.748 7.915 ( 1.872 -0.000 0.000) 1.872 7.947 ( 1.973 -0.000 0.000) 1.973 8.130 ( 1.810 -0.000 0.000) 1.810 8.179 ( 1.784 -0.000 0.000) 1.784 8.276 ( 1.033 -0.000 0.000) 1.033 8.286 ( -0.083 0.000 0.000) 0.083 8.309 ( 0.051 -0.000 0.000) 0.051 8.466 ( 0.283 -0.000 0.000) 0.283 8.501 ( 0.259 -0.000 0.000) 0.259 8.679 ( -5.504 0.000 0.000) 5.504 8.713 ( 2.719 -0.000 0.000) 2.719 8.983 ( -3.126 0.000 0.000) 3.126 8.994 ( -1.658 0.000 0.000) 1.658 9.079 ( -3.100 0.000 0.000) 3.100 9.099 ( -7.035 0.000 0.000) 7.035 9.294 ( -2.222 0.000 0.000) 2.222 10.134 ( 1.089 -0.000 0.000) 1.089 10.213 ( 1.803 -0.000 0.000) 1.803 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 4.383 0.000) 4.383 1.202 ( 0.000 3.432 0.000) 3.432 1.446 ( 0.000 1.517 0.000) 1.517 1.589 ( -0.000 -0.744 0.000) 0.744 1.614 ( 0.000 3.139 0.000) 3.139 1.769 ( 0.000 2.106 0.000) 2.106 1.912 ( 0.000 4.121 0.000) 4.121 1.966 ( -0.000 -1.610 0.000) 1.610 1.977 ( -0.000 -0.543 0.000) 0.543 2.059 ( -0.000 -3.441 0.000) 3.441 2.099 ( -0.000 -2.338 0.000) 2.338 2.192 ( 0.000 0.316 0.000) 0.316 2.282 ( 0.000 4.121 0.000) 4.121 2.378 ( -0.000 -2.901 0.000) 2.901 2.457 ( 0.000 13.562 0.000) 13.562 2.584 ( -0.000 -0.366 0.000) 0.366 2.609 ( -0.000 -0.913 0.000) 0.913 2.659 ( 0.000 5.404 0.000) 5.404 2.696 ( 0.000 0.262 0.000) 0.262 2.697 ( -0.000 -3.500 0.000) 3.500 2.730 ( 0.000 0.019 0.000) 0.019 2.766 ( -0.000 -5.373 0.000) 5.373 2.796 ( -0.000 -0.358 0.000) 0.358 2.799 ( 0.000 0.359 0.000) 0.359 2.902 ( 0.000 9.758 0.000) 9.758 2.902 ( -0.000 -0.266 0.000) 0.266 2.917 ( -0.000 -0.152 0.000) 0.152 3.051 ( -0.000 -13.295 0.000) 13.295 3.328 ( 0.000 6.343 0.000) 6.343 3.347 ( 0.000 8.388 0.000) 8.388 3.453 ( -0.000 -8.000 0.000) 8.000 3.579 ( -0.000 -5.735 0.000) 5.735 3.641 ( 0.000 1.057 0.000) 1.057 3.751 ( -0.000 -0.659 0.000) 0.659 4.251 ( -0.000 -0.774 0.000) 0.774 4.378 ( -0.000 -0.088 0.000) 0.088 5.812 ( -0.000 -1.329 0.000) 1.329 5.958 ( 0.000 2.506 0.000) 2.506 6.336 ( -0.000 -0.446 0.000) 0.446 6.372 ( -0.000 -2.782 0.000) 2.782 6.477 ( 0.000 1.187 0.000) 1.187 6.482 ( 0.000 1.118 0.000) 1.118 6.565 ( 0.000 0.880 0.000) 0.880 6.573 ( 0.000 0.907 0.000) 0.907 7.342 ( 0.000 0.426 0.000) 0.426 7.351 ( -0.000 -0.073 0.000) 0.073 7.550 ( 0.000 2.409 0.000) 2.409 7.613 ( 0.000 0.200 0.000) 0.200 7.920 ( 0.000 4.182 0.000) 4.182 7.984 ( -0.000 -3.925 0.000) 3.925 8.155 ( -0.000 -0.105 0.000) 0.105 8.203 ( -0.000 -0.278 0.000) 0.278 8.279 ( -0.000 -0.550 0.000) 0.550 8.283 ( 0.000 1.195 0.000) 1.195 8.304 ( -0.000 -0.501 0.000) 0.501 8.466 ( 0.000 0.016 0.000) 0.016 8.502 ( 0.000 0.068 0.000) 0.068 8.625 ( -0.000 -0.556 0.000) 0.556 8.743 ( -0.000 -0.024 0.000) 0.024 8.968 ( -0.000 -0.213 0.000) 0.213 8.978 ( 0.000 0.212 0.000) 0.212 9.006 ( -0.000 -0.008 0.000) 0.008 9.047 ( 0.000 0.029 0.000) 0.029 9.272 ( 0.000 0.012 0.000) 0.012 10.146 ( -0.000 -0.027 0.000) 0.027 10.236 ( -0.000 -1.321 0.000) 1.321 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 0.000 22.055) 22.055 0.480 ( 0.000 0.000 22.276) 22.276 0.891 ( 0.000 0.000 -17.456) 17.456 0.896 ( 0.000 0.000 -11.499) 11.499 0.903 ( 0.000 0.000 35.373) 35.373 1.612 ( 0.000 0.000 -24.094) 24.094 1.682 ( 0.000 0.000 9.938) 9.938 1.789 ( 0.000 0.000 5.808) 5.808 1.872 ( 0.000 0.000 -7.872) 7.872 1.895 ( 0.000 0.000 -5.876) 5.876 1.943 ( 0.000 0.000 5.410) 5.410 2.079 ( 0.000 0.000 -6.726) 6.726 2.178 ( 0.000 0.000 3.177) 3.177 2.230 ( 0.000 0.000 -1.731) 1.731 2.387 ( 0.000 0.000 7.741) 7.741 2.554 ( 0.000 0.000 -5.807) 5.807 2.601 ( 0.000 0.000 0.129) 0.129 2.619 ( 0.000 0.000 -3.378) 3.378 2.670 ( 0.000 0.000 1.352) 1.352 2.701 ( 0.000 0.000 -1.415) 1.415 2.730 ( 0.000 0.000 0.187) 0.187 2.735 ( 0.000 0.000 -0.220) 0.220 2.812 ( 0.000 0.000 1.814) 1.814 2.845 ( 0.000 0.000 -2.395) 2.395 2.918 ( 0.000 0.000 5.007) 5.007 2.949 ( 0.000 0.000 0.453) 0.453 2.958 ( 0.000 0.000 -0.334) 0.334 3.049 ( 0.000 0.000 -6.173) 6.173 3.222 ( 0.000 0.000 1.684) 1.684 3.254 ( 0.000 0.000 -0.575) 0.575 3.400 ( 0.000 0.000 11.764) 11.764 3.606 ( 0.000 0.000 -7.100) 7.100 3.940 ( 0.000 0.000 2.906) 2.906 4.001 ( 0.000 0.000 -2.643) 2.643 4.380 ( 0.000 0.000 1.233) 1.233 4.402 ( 0.000 0.000 -0.664) 0.664 6.219 ( 0.000 0.000 3.102) 3.102 6.256 ( 0.000 0.000 0.362) 0.362 6.264 ( 0.000 0.000 -0.374) 0.374 6.301 ( 0.000 0.000 -4.434) 4.434 6.410 ( 0.000 0.000 0.072) 0.072 6.411 ( 0.000 0.000 -0.061) 0.061 6.605 ( 0.000 0.000 5.684) 5.684 6.720 ( 0.000 0.000 -4.879) 4.879 6.998 ( 0.000 0.000 3.170) 3.170 7.069 ( 0.000 0.000 -3.209) 3.209 7.328 ( 0.000 0.000 0.773) 0.773 7.336 ( 0.000 0.000 0.053) 0.053 7.650 ( 0.000 0.000 1.164) 1.164 7.682 ( 0.000 0.000 -1.606) 1.606 8.199 ( 0.000 0.000 0.275) 0.275 8.206 ( 0.000 0.000 -0.268) 0.268 8.387 ( 0.000 0.000 0.365) 0.365 8.396 ( 0.000 0.000 -0.435) 0.435 8.451 ( 0.000 0.000 3.739) 3.739 8.457 ( 0.000 0.000 0.563) 0.563 8.469 ( 0.000 0.000 -0.518) 0.518 8.543 ( 0.000 0.000 -4.453) 4.453 8.956 ( 0.000 0.000 3.303) 3.303 9.015 ( 0.000 0.000 -1.930) 1.930 9.016 ( 0.000 0.000 0.756) 0.756 9.033 ( 0.000 0.000 -0.731) 0.731 9.113 ( 0.000 0.000 -0.005) 0.005 9.117 ( 0.000 0.000 -0.415) 0.415 10.536 ( 0.000 0.000 0.069) 0.069 10.537 ( 0.000 0.000 -0.067) 0.067 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 16.983 -2.115 14.844) 22.655 0.823 ( 17.582 -3.469 18.629) 25.850 1.002 ( 9.549 -2.483 -13.444) 16.676 1.141 ( 17.531 -3.128 -13.012) 22.055 1.197 ( 28.603 -8.483 23.645) 38.068 1.657 ( 5.822 1.096 -4.972) 7.734 1.728 ( 2.242 2.883 0.671) 3.714 1.780 ( 1.757 -5.084 -4.518) 7.024 1.881 ( 2.867 2.498 4.170) 5.644 1.979 ( 7.176 -3.009 -8.302) 11.379 2.029 ( 7.618 -2.769 0.538) 8.124 2.113 ( 3.908 -0.892 -4.872) 6.309 2.269 ( 7.894 -0.160 2.560) 8.300 2.320 ( 7.317 0.359 -2.119) 7.626 2.373 ( 0.167 0.725 6.824) 6.865 2.519 ( -2.117 1.239 -4.995) 5.565 2.582 ( -1.444 0.331 -0.216) 1.497 2.595 ( -1.456 0.682 -2.609) 3.065 2.720 ( 0.328 0.878 0.512) 1.068 2.735 ( 1.837 -0.781 -1.093) 2.276 2.762 ( 4.861 -0.078 -0.510) 4.889 2.771 ( 5.186 0.050 -1.188) 5.321 2.864 ( 4.905 2.795 2.691) 6.254 2.906 ( 1.034 -1.608 2.567) 3.201 2.918 ( 6.159 -0.489 -1.731) 6.417 2.994 ( 2.701 0.274 -3.925) 4.772 3.056 ( 7.523 -1.127 1.738) 7.803 3.119 ( 6.333 0.705 -3.337) 7.193 3.215 ( 0.196 0.920 1.952) 2.167 3.257 ( 0.263 -2.014 -1.522) 2.539 3.408 ( 0.433 -1.864 11.918) 12.071 3.613 ( 0.792 -0.641 -7.153) 7.225 3.934 ( -0.271 1.298 3.000) 3.280 3.996 ( -0.352 1.250 -2.664) 2.964 4.349 ( -2.703 0.318 1.226) 2.985 4.373 ( -2.364 0.156 -0.983) 2.565 5.961 ( -9.175 1.092 12.683) 15.692 6.102 ( -6.537 1.800 -2.219) 7.134 6.394 ( 2.185 0.078 1.252) 2.520 6.404 ( 7.969 -0.551 0.428) 8.000 6.477 ( 6.087 -0.514 0.034) 6.108 6.484 ( 7.574 -0.595 -0.514) 7.615 6.732 ( 3.970 6.392 -0.719) 7.558 6.788 ( 10.745 11.895 -5.915) 17.086 7.006 ( -0.155 -5.034 3.483) 6.124 7.109 ( -1.611 -13.342 -7.717) 15.497 7.333 ( 0.065 0.213 0.714) 0.748 7.351 ( 1.051 -1.599 -1.078) 2.197 7.648 ( -0.102 -1.205 1.495) 1.923 7.687 ( -0.073 -2.277 -1.869) 2.947 8.154 ( -3.224 -0.155 1.600) 3.602 8.164 ( -2.124 0.132 -0.085) 2.130 8.260 ( -4.548 -0.041 6.733) 8.125 8.372 ( -4.068 0.412 -3.633) 5.470 8.506 ( 7.379 0.685 0.566) 7.433 8.518 ( 5.871 -0.340 -0.514) 5.903 8.648 ( 7.884 0.938 -0.903) 7.991 8.658 ( 7.121 -0.568 -1.948) 7.404 8.925 ( -0.109 4.263 2.066) 4.738 8.949 ( -0.468 1.318 0.452) 1.470 9.008 ( -1.961 -0.418 1.137) 2.305 9.060 ( -0.505 -0.639 -3.167) 3.270 9.163 ( 3.611 -1.083 0.052) 3.770 9.181 ( 4.973 -0.615 -2.437) 5.572 10.349 ( -10.131 2.682 9.059) 13.853 10.451 ( -6.794 1.856 -2.210) 7.381 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 20.689 -0.794 8.256) 22.289 1.155 ( 15.187 -3.930 15.759) 22.236 1.267 ( 14.619 -2.274 -8.095) 16.865 1.431 ( 10.264 -1.760 -9.586) 14.154 1.715 ( 2.748 -0.052 -0.263) 2.761 1.720 ( 2.656 -0.780 0.670) 2.848 1.912 ( 26.864 -6.601 8.165) 28.843 1.958 ( 9.080 3.951 5.042) 11.112 2.076 ( 12.890 -0.744 -2.025) 13.069 2.158 ( 15.031 -3.818 -7.274) 17.129 2.211 ( 8.409 -0.770 0.845) 8.486 2.277 ( 9.645 -3.755 -4.858) 11.433 2.332 ( 0.746 2.739 4.514) 5.333 2.424 ( 4.079 0.787 -1.160) 4.313 2.490 ( 4.537 1.005 -1.050) 4.764 2.533 ( 5.027 -0.955 -1.483) 5.328 2.552 ( -1.113 0.608 -0.902) 1.556 2.582 ( 2.993 -1.505 -3.729) 5.013 2.730 ( 1.675 0.141 1.544) 2.282 2.758 ( 0.791 -0.407 -1.189) 1.485 2.866 ( 3.995 1.599 -0.202) 4.308 2.873 ( 4.246 0.985 -0.046) 4.359 2.929 ( 3.614 0.503 1.505) 3.947 2.982 ( 3.791 0.079 -0.470) 3.821 3.075 ( 9.727 0.276 -1.017) 9.784 3.092 ( 7.850 0.450 -3.003) 8.417 3.205 ( 6.671 0.459 0.147) 6.688 3.220 ( 5.311 0.984 -0.889) 5.474 3.277 ( 5.798 -2.775 2.153) 6.779 3.331 ( 4.699 -5.106 -2.458) 7.361 3.447 ( 3.119 -1.026 11.858) 12.304 3.643 ( 1.974 0.043 -6.848) 7.127 3.908 ( -1.482 2.119 3.149) 4.075 3.968 ( -1.546 2.252 -2.372) 3.617 4.284 ( -3.361 0.388 1.359) 3.646 4.315 ( -3.142 0.262 -1.543) 3.510 5.874 ( -0.786 0.308 7.359) 7.407 5.980 ( -4.089 1.724 -2.346) 5.020 6.434 ( 2.561 0.237 2.087) 3.312 6.506 ( 2.648 0.156 -4.559) 5.275 6.654 ( 8.768 -0.450 1.548) 8.915 6.673 ( 9.976 -0.586 -0.400) 10.002 6.815 ( 8.352 6.060 3.392) 10.862 6.898 ( 7.106 8.775 -3.450) 11.807 7.057 ( 1.783 -7.778 2.541) 8.375 7.142 ( -0.775 -8.496 -5.726) 10.274 7.344 ( 1.353 -0.159 1.078) 1.737 7.374 ( 0.989 0.055 -1.789) 2.045 7.669 ( 1.156 -2.170 1.657) 2.965 7.712 ( 1.413 -2.379 -2.192) 3.530 8.111 ( -1.454 -0.309 2.936) 3.291 8.134 ( -0.832 0.172 -0.328) 0.911 8.189 ( -2.931 -0.011 3.965) 4.931 8.288 ( -3.949 0.320 -4.093) 5.697 8.585 ( 0.150 2.619 3.470) 4.350 8.651 ( 4.163 2.092 -2.378) 5.231 8.774 ( 7.583 -0.217 -0.065) 7.586 8.776 ( 4.843 1.690 -0.252) 5.136 8.915 ( 0.085 3.257 0.338) 3.275 8.922 ( -0.308 5.625 -0.279) 5.641 9.039 ( 5.344 -3.803 2.682) 7.086 9.107 ( 6.015 -2.686 -3.033) 7.252 9.252 ( 4.644 -0.517 0.400) 4.690 9.278 ( 4.510 -1.056 -2.429) 5.230 10.190 ( -5.387 1.026 6.281) 8.338 10.294 ( -7.122 1.755 -3.340) 8.060 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 13.174 -2.158 8.854) 16.018 1.485 ( 18.236 0.765 3.721) 18.627 1.559 ( 12.376 -0.793 -0.903) 12.434 1.600 ( 7.155 -0.533 -3.086) 7.810 1.785 ( 5.772 -0.587 -1.601) 6.018 1.831 ( 7.665 -2.469 -3.754) 8.885 2.074 ( 6.575 2.746 4.744) 8.560 2.158 ( 4.633 1.717 -3.112) 5.839 2.273 ( -0.096 3.986 2.570) 4.744 2.325 ( 3.000 4.770 -1.986) 5.975 2.383 ( 5.659 -1.255 2.268) 6.225 2.446 ( 6.710 0.899 -1.757) 6.994 2.485 ( 3.792 0.050 1.799) 4.197 2.521 ( 4.519 -3.228 -0.262) 5.559 2.522 ( -1.110 0.923 -0.942) 1.725 2.575 ( 4.471 -1.174 -4.930) 6.758 2.655 ( 10.546 -0.531 3.922) 11.264 2.724 ( 4.035 -2.075 -1.090) 4.666 2.766 ( 1.070 1.180 1.839) 2.433 2.813 ( 3.842 0.143 -2.176) 4.417 2.915 ( 4.560 1.272 0.078) 4.734 2.960 ( 2.524 3.176 -3.896) 5.625 2.998 ( 8.788 -3.682 3.359) 10.103 3.080 ( 7.881 -4.992 -4.716) 10.453 3.271 ( 9.976 2.954 0.168) 10.405 3.284 ( 8.966 2.596 -0.884) 9.376 3.357 ( 9.422 -2.218 1.297) 9.766 3.385 ( 9.405 -2.025 -1.952) 9.817 3.410 ( 6.095 -3.837 1.564) 7.370 3.440 ( 4.675 -3.023 -0.781) 5.622 3.558 ( 7.079 0.101 7.043) 9.986 3.686 ( 2.281 1.049 -4.656) 5.290 3.854 ( -2.410 1.437 3.475) 4.466 3.911 ( -2.868 1.165 -1.962) 3.664 4.223 ( -2.359 0.051 1.248) 2.669 4.253 ( -2.679 0.213 -1.496) 3.076 5.890 ( 2.107 0.537 2.812) 3.555 5.934 ( 0.189 0.764 -1.023) 1.291 6.497 ( 3.919 0.612 1.121) 4.122 6.536 ( 1.103 0.587 -2.357) 2.668 6.801 ( 6.771 1.082 2.653) 7.352 6.851 ( 7.526 1.145 -1.687) 7.797 6.964 ( 8.113 3.680 0.863) 8.951 6.990 ( 6.177 4.860 -1.494) 8.001 7.161 ( 4.285 -6.007 0.649) 7.407 7.185 ( 1.459 -4.802 -1.459) 5.226 7.396 ( 3.837 -0.507 0.126) 3.872 7.403 ( 2.257 0.069 -0.540) 2.322 7.712 ( 1.925 -1.531 1.902) 3.109 7.761 ( 1.995 -1.478 -2.440) 3.481 8.092 ( -0.837 -0.446 3.856) 3.971 8.124 ( -0.252 0.274 -0.305) 0.481 8.141 ( -1.727 0.408 1.506) 2.327 8.214 ( -3.292 0.246 -3.768) 5.010 8.514 ( -4.364 3.414 4.463) 7.115 8.615 ( -4.267 3.764 -4.599) 7.316 8.756 ( -3.558 5.268 2.809) 6.950 8.809 ( -3.972 5.626 -2.159) 7.217 9.002 ( 10.502 -0.793 1.022) 10.581 9.028 ( 9.389 -1.827 -1.368) 9.662 9.230 ( 10.485 -1.184 2.306) 10.801 9.273 ( 8.403 0.256 -1.397) 8.522 9.351 ( 4.984 -1.147 0.760) 5.171 9.382 ( 5.354 -2.631 -2.189) 6.355 10.107 ( -2.829 0.115 3.073) 4.179 10.166 ( -4.818 0.870 -2.218) 5.375 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 4.293 0.073 2.370) 4.904 1.674 ( 4.114 0.037 -1.365) 4.334 1.815 ( 11.390 -0.945 4.810) 12.400 1.828 ( 14.704 2.425 2.591) 15.127 1.959 ( 10.131 0.260 -1.319) 10.220 2.021 ( 9.100 -2.279 -3.593) 10.045 2.152 ( 2.565 4.684 2.068) 5.727 2.202 ( -0.174 4.014 -2.093) 4.530 2.250 ( 1.584 2.673 3.611) 4.764 2.321 ( 0.894 4.496 -2.979) 5.467 2.434 ( -0.541 -1.183 1.275) 1.821 2.476 ( -2.089 1.762 0.704) 2.822 2.510 ( 1.093 2.832 -0.294) 3.050 2.531 ( 2.597 0.143 -2.564) 3.652 2.565 ( 0.843 -1.264 2.872) 3.249 2.654 ( 1.324 -2.379 -3.705) 4.598 2.735 ( -0.856 0.613 1.961) 2.226 2.752 ( 1.763 0.839 -0.054) 1.954 2.801 ( 1.223 -0.709 1.044) 1.758 2.827 ( -0.212 -1.947 -1.222) 2.309 2.936 ( -1.285 0.829 -1.734) 2.312 2.956 ( -0.996 3.388 -3.335) 4.857 3.292 ( 9.091 -1.668 2.241) 9.510 3.325 ( 10.961 -3.201 -0.824) 11.448 3.363 ( 1.022 0.286 0.395) 1.132 3.376 ( 0.652 -0.471 -0.820) 1.149 3.536 ( 9.164 2.796 0.684) 9.605 3.550 ( 8.298 2.005 -0.342) 8.544 3.632 ( 9.251 -3.028 -0.168) 9.735 3.639 ( 10.805 -1.354 -1.224) 10.959 3.683 ( 6.413 -0.339 0.973) 6.495 3.703 ( 1.745 -1.216 -0.994) 2.347 3.850 ( 3.802 -0.272 2.938) 4.812 3.882 ( 1.635 -1.506 -0.304) 2.244 4.198 ( -0.293 -0.779 0.688) 1.079 4.216 ( -0.954 -0.308 -0.924) 1.364 5.935 ( 2.628 1.371 1.850) 3.494 5.971 ( 3.387 0.031 -1.303) 3.629 6.563 ( 2.035 -0.423 0.561) 2.153 6.578 ( 4.436 0.563 -0.739) 4.532 6.918 ( 5.964 3.399 1.293) 6.985 6.958 ( 4.926 4.155 -2.282) 6.837 7.075 ( 4.414 1.925 0.675) 4.862 7.086 ( 5.130 1.161 -0.151) 5.262 7.255 ( 3.844 -2.561 0.870) 4.700 7.275 ( 4.023 -3.898 -0.773) 5.655 7.467 ( 3.967 -0.351 1.176) 4.153 7.498 ( 5.838 -0.083 -1.554) 6.042 7.755 ( 1.664 -0.634 1.825) 2.550 7.798 ( 1.077 -0.346 -1.918) 2.227 8.074 ( -1.325 -0.479 3.670) 3.931 8.113 ( -0.414 0.896 -0.095) 0.992 8.119 ( -0.649 0.917 -0.065) 1.125 8.159 ( -1.894 0.057 -3.148) 3.674 8.397 ( -5.169 3.333 4.083) 7.382 8.484 ( -6.089 3.953 -3.628) 8.116 8.639 ( -5.055 4.286 1.693) 6.840 8.676 ( -6.004 4.434 -1.585) 7.630 9.204 ( 8.761 -0.089 0.462) 8.773 9.218 ( 8.200 -0.653 -0.847) 8.269 9.395 ( 5.364 1.121 0.291) 5.487 9.402 ( 4.945 0.853 -0.283) 5.026 9.494 ( 8.557 -2.219 1.619) 8.988 9.532 ( 7.672 -2.679 -1.820) 8.327 10.076 ( -0.373 -0.562 1.154) 1.337 10.098 ( -1.744 -0.036 -0.784) 1.913 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 1.912 0.319 2.331) 3.032 1.735 ( 2.173 -0.193 -1.897) 2.891 2.014 ( 8.109 0.978 3.447) 8.865 2.041 ( 7.899 3.399 0.349) 8.606 2.107 ( -0.265 4.729 1.284) 4.907 2.140 ( -1.242 4.473 -0.792) 4.709 2.149 ( 6.257 1.505 1.456) 6.599 2.195 ( 6.141 -0.748 -1.947) 6.485 2.278 ( 0.519 0.035 2.359) 2.416 2.316 ( -0.139 1.443 -0.652) 1.589 2.404 ( -2.436 -0.177 1.565) 2.901 2.435 ( -0.523 0.907 1.309) 1.676 2.503 ( 0.193 2.282 0.386) 2.322 2.563 ( -0.350 -1.101 -4.617) 4.759 2.589 ( 2.258 1.312 2.410) 3.554 2.671 ( -0.026 -1.008 -2.900) 3.071 2.725 ( 0.246 0.219 2.309) 2.332 2.765 ( 0.483 1.187 -1.404) 1.901 2.825 ( 0.290 -2.735 0.490) 2.793 2.845 ( -0.026 -3.556 -1.325) 3.795 2.887 ( -2.692 1.047 -2.806) 4.027 2.901 ( -2.083 3.002 -3.196) 4.855 3.336 ( -1.417 0.490 0.152) 1.507 3.342 ( -2.173 -0.183 -0.318) 2.204 3.420 ( 3.327 -0.240 3.033) 4.508 3.473 ( 2.969 0.584 -1.979) 3.615 3.545 ( -2.420 1.956 1.637) 3.516 3.572 ( -2.155 2.285 -0.643) 3.206 3.749 ( 3.739 -1.982 0.954) 4.338 3.772 ( 3.498 -1.178 -1.179) 3.874 3.905 ( 10.651 -0.554 -0.162) 10.667 3.912 ( 11.071 -1.378 -0.892) 11.192 3.989 ( 7.994 -0.267 1.542) 8.146 3.996 ( 7.442 -0.866 1.012) 7.560 4.212 ( 0.778 -1.522 0.055) 1.710 4.216 ( 0.291 -1.167 -0.255) 1.230 5.972 ( 1.890 1.669 3.211) 4.083 6.045 ( 3.456 -0.149 -3.174) 4.694 6.622 ( 3.110 -1.543 1.834) 3.926 6.664 ( 4.214 -0.130 -1.805) 4.586 6.980 ( 2.440 5.179 0.632) 5.759 7.001 ( 1.993 5.206 -1.339) 5.733 7.137 ( 2.647 -0.267 1.797) 3.210 7.168 ( 3.275 -0.702 -1.031) 3.504 7.361 ( 5.293 -1.322 0.520) 5.480 7.376 ( 4.428 -2.203 -0.772) 5.005 7.555 ( 4.357 -0.331 2.212) 4.898 7.608 ( 4.868 0.434 -2.501) 5.490 7.781 ( 0.729 0.082 1.331) 1.519 7.807 ( -0.118 0.202 -0.945) 0.974 8.051 ( -1.027 -0.454 2.023) 2.313 8.088 ( -1.400 0.810 -1.324) 2.090 8.100 ( -0.667 1.182 0.947) 1.655 8.138 ( -0.681 0.826 -2.371) 2.601 8.288 ( -3.637 2.255 3.521) 5.541 8.348 ( -5.192 2.536 -1.907) 6.085 8.516 ( -4.952 3.051 0.481) 5.836 8.535 ( -5.784 2.919 -1.068) 6.566 9.340 ( 4.948 0.141 0.142) 4.952 9.348 ( 4.619 0.100 -0.544) 4.652 9.469 ( 2.814 0.342 0.152) 2.839 9.472 ( 2.701 0.381 -0.148) 2.731 9.660 ( 6.611 -0.906 1.047) 6.754 9.686 ( 5.984 -1.478 -1.187) 6.277 10.089 ( 0.843 -0.503 0.277) 1.020 10.092 ( 0.762 -0.648 0.076) 1.003 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.615 0.127 2.574) 2.650 1.765 ( 0.738 -0.085 -2.223) 2.344 2.038 ( -1.353 2.597 1.572) 3.324 2.075 ( -0.259 2.225 -1.618) 2.764 2.137 ( 3.581 1.106 1.798) 4.157 2.151 ( 2.420 1.338 0.133) 2.769 2.226 ( 0.030 0.063 2.530) 2.531 2.254 ( -0.754 0.127 -0.420) 0.872 2.295 ( 2.050 -0.253 0.682) 2.175 2.323 ( 1.594 0.014 -1.228) 2.012 2.377 ( 0.244 0.145 5.846) 5.853 2.414 ( -2.039 -0.626 4.342) 4.837 2.509 ( 1.449 2.135 -1.741) 3.112 2.553 ( -0.930 -1.258 -3.921) 4.221 2.621 ( 1.127 0.626 -0.327) 1.330 2.675 ( 0.061 -0.302 -2.665) 2.682 2.733 ( 0.416 0.050 1.336) 1.400 2.766 ( 0.126 0.374 -1.306) 1.364 2.823 ( -1.474 -0.476 -1.741) 2.330 2.851 ( -0.829 -0.759 -2.916) 3.125 2.853 ( 0.097 0.463 -1.329) 1.411 2.863 ( -0.357 -0.326 -1.303) 1.389 3.303 ( -1.196 -0.226 0.088) 1.220 3.309 ( -0.872 0.166 -0.492) 1.015 3.458 ( 0.058 0.839 0.580) 1.022 3.463 ( -0.415 1.212 0.243) 1.304 3.531 ( -0.181 -0.085 0.860) 0.883 3.533 ( -0.191 -0.205 0.564) 0.630 3.804 ( 1.230 -0.771 0.538) 1.548 3.815 ( 0.739 -0.411 -0.374) 0.925 4.043 ( 3.372 0.457 0.757) 3.486 4.061 ( 3.425 0.097 -0.942) 3.554 4.113 ( 3.537 0.056 1.093) 3.702 4.122 ( 3.684 -0.173 0.142) 3.691 4.233 ( 0.501 -1.032 0.053) 1.149 4.236 ( 0.549 -1.017 -0.163) 1.167 5.991 ( 0.695 0.746 4.400) 4.516 6.095 ( 1.341 -0.054 -4.792) 4.977 6.684 ( 1.737 -1.072 2.465) 3.200 6.734 ( 2.138 -0.466 -1.967) 2.942 6.974 ( -0.043 2.560 0.709) 2.657 6.991 ( -0.101 2.524 -0.806) 2.652 7.181 ( 1.210 -0.372 1.876) 2.263 7.220 ( 1.340 -0.485 -1.571) 2.121 7.455 ( 2.866 -0.420 -0.065) 2.897 7.459 ( 2.400 -0.695 -0.400) 2.531 7.625 ( 2.082 -0.134 2.104) 2.963 7.674 ( 1.766 0.301 -2.219) 2.852 7.786 ( 0.041 0.182 0.734) 0.757 7.799 ( -0.325 0.153 -0.417) 0.550 8.041 ( -0.295 -0.718 1.185) 1.416 8.062 ( -0.958 0.293 -0.385) 1.073 8.077 ( -0.517 1.082 0.512) 1.304 8.109 ( -1.136 1.037 -2.434) 2.879 8.241 ( -0.562 0.735 2.676) 2.831 8.272 ( -1.425 0.359 -0.498) 1.552 8.424 ( -2.502 1.211 -0.072) 2.781 8.432 ( -2.787 1.013 -0.805) 3.073 9.402 ( 1.488 0.049 -0.060) 1.490 9.405 ( 1.408 0.146 -0.344) 1.457 9.506 ( 0.960 0.034 0.063) 0.963 9.507 ( 0.908 0.120 -0.046) 0.918 9.755 ( 2.470 -0.234 0.706) 2.580 9.773 ( 2.093 -0.477 -0.832) 2.302 10.108 ( 0.701 -0.169 0.346) 0.800 10.112 ( 0.490 -0.346 0.004) 0.600 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 21.510 -0.000 7.724) 22.854 1.132 ( 15.685 -0.000 16.709) 22.918 1.255 ( 15.350 -0.000 -7.607) 17.131 1.420 ( 10.876 -0.000 -10.061) 14.816 1.715 ( 2.337 -0.000 1.348) 2.698 1.716 ( 3.431 -0.000 -0.084) 3.432 1.872 ( 28.389 -0.000 9.546) 29.951 1.991 ( 9.613 -0.000 5.623) 11.136 2.072 ( 12.375 -0.000 -2.506) 12.627 2.121 ( 16.348 -0.000 -11.320) 19.885 2.210 ( 9.673 -0.000 0.158) 9.674 2.257 ( 9.516 -0.000 -3.741) 10.225 2.352 ( 0.593 -0.000 5.926) 5.955 2.423 ( 5.404 -0.000 1.181) 5.532 2.500 ( 1.221 -0.000 -1.727) 2.115 2.526 ( 9.477 -0.000 -3.715) 10.179 2.556 ( -0.955 0.000 -1.244) 1.568 2.574 ( -0.607 0.000 -3.179) 3.237 2.731 ( 1.057 -0.000 1.116) 1.537 2.755 ( 1.410 -0.000 -0.736) 1.591 2.875 ( 4.410 -0.000 -0.346) 4.424 2.879 ( 3.999 -0.000 0.306) 4.011 2.931 ( 3.966 -0.000 1.622) 4.285 2.982 ( 3.332 -0.000 -0.048) 3.332 3.075 ( 9.215 -0.000 -1.291) 9.305 3.094 ( 9.317 -0.000 -4.204) 10.222 3.207 ( 7.005 -0.000 1.887) 7.255 3.234 ( 3.432 -0.000 0.085) 3.434 3.273 ( 2.987 -0.000 -0.676) 3.062 3.281 ( 7.267 -0.000 -1.666) 7.456 3.442 ( 3.878 -0.000 12.299) 12.896 3.643 ( 2.323 -0.000 -7.022) 7.397 3.920 ( -1.699 0.000 3.149) 3.578 3.981 ( -1.795 0.000 -2.429) 3.020 4.286 ( -3.443 0.000 1.342) 3.695 4.317 ( -3.163 0.000 -1.515) 3.507 5.876 ( -0.901 0.000 7.886) 7.937 5.990 ( -4.534 0.000 -2.570) 5.212 6.435 ( 2.637 -0.000 2.039) 3.333 6.506 ( 2.872 -0.000 -4.569) 5.397 6.652 ( 9.080 -0.000 1.479) 9.199 6.670 ( 10.213 -0.000 -0.407) 10.221 6.863 ( 8.146 -0.000 4.659) 9.384 6.966 ( 5.096 -0.000 -2.401) 5.633 7.011 ( 1.984 -0.000 0.588) 2.069 7.064 ( 1.095 -0.000 -6.619) 6.709 7.343 ( 1.247 -0.000 1.213) 1.740 7.374 ( 1.270 -0.000 -1.689) 2.113 7.657 ( 1.449 -0.000 1.607) 2.163 7.699 ( 1.857 -0.000 -2.105) 2.807 8.109 ( -1.459 0.000 3.225) 3.539 8.135 ( -0.840 0.000 -0.392) 0.927 8.189 ( -2.869 0.000 3.932) 4.867 8.290 ( -4.014 0.000 -4.201) 5.811 8.601 ( 0.263 -0.000 3.303) 3.314 8.663 ( 4.973 -0.000 -2.241) 5.455 8.772 ( 7.924 -0.000 0.098) 7.925 8.783 ( 5.449 -0.000 -1.021) 5.543 8.940 ( -2.739 0.000 2.585) 3.766 8.972 ( -2.863 0.000 -0.916) 3.006 9.004 ( 7.461 -0.000 2.544) 7.882 9.085 ( 7.690 -0.000 -4.032) 8.683 9.248 ( 4.725 -0.000 0.319) 4.736 9.272 ( 4.310 -0.000 -2.374) 4.920 10.196 ( -5.858 0.000 6.636) 8.852 10.305 ( -7.546 0.000 -3.421) 8.285 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 13.935 -0.969 9.944) 17.147 1.495 ( 19.318 0.656 3.203) 19.593 1.556 ( 13.417 -0.056 -0.917) 13.448 1.594 ( 6.974 -0.309 -3.466) 7.794 1.781 ( 5.852 -0.093 -1.899) 6.153 1.811 ( 7.475 -0.943 -3.069) 8.135 2.099 ( 6.949 1.318 4.136) 8.193 2.176 ( 4.419 1.139 -3.104) 5.519 2.305 ( -0.017 1.563 2.891) 3.286 2.348 ( 6.165 -0.590 1.392) 6.348 2.381 ( 5.764 1.209 -0.514) 5.912 2.454 ( 7.062 0.509 -2.941) 7.666 2.480 ( 3.226 -0.908 0.953) 3.484 2.488 ( 6.773 -1.738 0.660) 7.024 2.529 ( -1.301 0.396 -1.533) 2.049 2.578 ( 1.550 0.773 -3.341) 3.763 2.647 ( 11.913 -0.650 2.913) 12.281 2.703 ( 5.235 -1.222 -1.640) 5.621 2.784 ( 4.027 1.572 1.339) 4.526 2.810 ( 4.324 -0.682 -0.966) 4.483 2.929 ( 4.944 0.939 0.848) 5.103 2.965 ( 2.697 -1.487 2.772) 4.143 2.995 ( 6.439 2.625 -4.887) 8.499 3.033 ( 4.664 -3.288 -3.736) 6.821 3.300 ( 10.393 1.730 -0.083) 10.536 3.309 ( 7.627 1.943 -0.817) 7.912 3.336 ( 9.198 -1.528 1.235) 9.406 3.367 ( 10.676 -0.925 -1.275) 10.792 3.373 ( 7.014 -2.225 1.710) 7.554 3.414 ( 5.902 -1.336 -1.561) 6.249 3.559 ( 7.147 0.043 7.603) 10.435 3.694 ( 2.355 0.365 -4.931) 5.477 3.865 ( -3.201 0.510 3.356) 4.665 3.920 ( -3.951 0.428 -1.897) 4.404 4.223 ( -2.601 0.017 1.301) 2.908 4.255 ( -2.789 0.070 -1.558) 3.195 5.895 ( 2.314 0.205 3.011) 3.803 5.940 ( -0.266 0.288 -1.002) 1.076 6.501 ( 3.928 0.183 0.974) 4.051 6.539 ( 0.857 0.134 -2.519) 2.664 6.807 ( 7.221 0.231 2.803) 7.749 6.857 ( 8.266 0.208 -1.646) 8.431 7.017 ( 7.556 5.382 1.314) 9.370 7.052 ( 5.049 5.677 -1.525) 7.749 7.092 ( 5.300 -5.920 0.941) 8.001 7.125 ( 2.599 -5.527 -2.367) 6.551 7.393 ( 3.892 -0.150 0.251) 3.903 7.404 ( 2.063 0.048 -0.774) 2.204 7.700 ( 2.475 -0.537 1.943) 3.192 7.749 ( 2.634 -0.551 -2.423) 3.621 8.088 ( -0.836 -0.171 4.242) 4.327 8.127 ( -0.167 0.119 -0.404) 0.453 8.144 ( -1.504 0.164 1.364) 2.037 8.216 ( -3.398 0.062 -3.836) 5.125 8.541 ( -4.584 1.288 4.561) 6.593 8.645 ( -4.336 1.416 -4.807) 6.626 8.799 ( -4.440 2.092 3.091) 5.801 8.856 ( -5.045 2.290 -2.222) 5.969 8.996 ( 10.782 -0.217 0.663) 10.805 9.012 ( 9.904 -0.876 -0.798) 9.974 9.218 ( 11.975 -0.662 2.699) 12.293 9.277 ( 10.006 0.285 -2.144) 10.237 9.342 ( 4.500 -0.402 0.217) 4.523 9.358 ( 4.290 -1.327 -1.589) 4.763 10.107 ( -3.161 0.045 3.390) 4.635 10.173 ( -5.306 0.322 -2.439) 5.849 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 4.860 -0.033 2.502) 5.466 1.675 ( 3.738 0.087 -1.450) 4.010 1.804 ( 11.981 -0.762 6.515) 13.660 1.853 ( 15.120 1.726 1.463) 15.288 1.964 ( 10.799 0.551 -2.046) 11.005 1.998 ( 9.627 -1.630 -3.314) 10.311 2.199 ( 3.499 3.322 1.785) 5.144 2.236 ( 1.780 1.872 -1.227) 2.860 2.278 ( -0.927 1.951 3.349) 3.985 2.362 ( -0.841 2.525 -3.923) 4.741 2.422 ( -0.848 -0.870 1.895) 2.251 2.491 ( -2.057 0.827 0.099) 2.219 2.527 ( 1.909 0.496 -1.801) 2.671 2.539 ( 1.157 0.094 2.087) 2.388 2.564 ( 3.325 1.786 -1.310) 3.995 2.625 ( 2.028 -2.749 -3.706) 5.039 2.739 ( -0.294 0.248 2.529) 2.558 2.750 ( 1.400 -0.693 1.002) 1.856 2.800 ( -0.693 -0.012 -0.168) 0.714 2.815 ( -1.500 -0.124 -1.136) 1.885 2.944 ( -1.523 0.613 -0.134) 1.647 2.986 ( -1.216 1.829 -3.347) 4.003 3.274 ( 11.229 -1.267 1.468) 11.395 3.291 ( 13.955 -2.500 -0.212) 14.179 3.367 ( 0.320 0.317 0.053) 0.454 3.374 ( -0.207 -0.023 -0.522) 0.562 3.562 ( 11.735 1.782 0.365) 11.875 3.566 ( 12.226 0.807 0.033) 12.253 3.602 ( 10.376 -2.252 0.150) 10.619 3.633 ( 10.857 0.112 -2.805) 11.214 3.680 ( 3.957 -0.231 0.851) 4.054 3.691 ( -2.039 -0.881 -0.240) 2.234 3.849 ( 3.253 0.159 2.335) 4.008 3.866 ( 1.391 -1.282 0.481) 1.952 4.191 ( -0.673 -0.448 0.883) 1.197 4.214 ( -1.275 -0.161 -1.114) 1.701 5.948 ( 2.916 0.816 1.253) 3.278 5.972 ( 3.178 0.034 -0.831) 3.285 6.558 ( 1.399 -0.368 1.038) 1.781 6.582 ( 4.200 0.248 -1.086) 4.345 6.944 ( 6.676 1.292 1.634) 6.994 6.991 ( 5.730 1.698 -2.631) 6.530 7.109 ( 4.057 3.853 0.395) 5.609 7.113 ( 3.423 3.398 0.143) 4.825 7.222 ( 4.769 -3.315 0.267) 5.814 7.227 ( 4.937 -4.478 -0.134) 6.667 7.464 ( 3.907 -0.168 1.130) 4.071 7.497 ( 6.128 -0.045 -1.848) 6.401 7.750 ( 2.123 -0.292 2.063) 2.975 7.795 ( 1.505 -0.201 -1.929) 2.455 8.070 ( -1.197 -0.224 3.965) 4.147 8.121 ( -0.181 0.549 0.004) 0.578 8.129 ( -0.254 0.813 -0.487) 0.981 8.157 ( -2.232 -0.318 -3.176) 3.895 8.427 ( -5.661 1.944 4.344) 7.396 8.520 ( -6.631 2.314 -3.934) 8.050 8.678 ( -5.922 2.432 1.863) 6.667 8.716 ( -6.972 2.545 -1.581) 7.589 9.204 ( 9.003 0.119 0.217) 9.006 9.212 ( 8.788 -0.533 -0.475) 8.817 9.411 ( 4.850 1.435 0.107) 5.060 9.413 ( 4.369 1.090 -0.128) 4.504 9.469 ( 9.646 -1.962 1.304) 9.929 9.502 ( 8.550 -2.433 -1.630) 9.037 10.071 ( -0.564 -0.335 1.371) 1.520 10.098 ( -2.076 -0.028 -0.993) 2.302 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.842 0.245 2.097) 2.802 1.733 ( 2.188 -0.156 -1.666) 2.754 2.020 ( 8.875 0.209 5.175) 10.276 2.075 ( 7.950 2.368 -0.403) 8.305 2.147 ( 6.173 2.002 0.660) 6.523 2.173 ( 4.256 1.632 0.587) 4.596 2.190 ( -0.069 3.142 -0.130) 3.146 2.194 ( 0.005 2.711 -1.560) 3.128 2.276 ( -0.706 -0.641 2.167) 2.367 2.326 ( -1.865 0.411 -2.077) 2.821 2.396 ( -1.701 -0.886 2.207) 2.924 2.445 ( -1.864 0.594 1.643) 2.554 2.525 ( 0.277 1.273 -0.953) 1.614 2.553 ( -1.074 -0.558 -3.689) 3.883 2.613 ( 2.804 2.570 1.653) 4.147 2.661 ( 0.765 -0.605 -1.962) 2.191 2.723 ( -0.311 -0.398 2.554) 2.603 2.776 ( 0.487 0.596 -1.003) 1.264 2.791 ( -0.433 -2.967 -0.858) 3.118 2.812 ( 0.610 -2.058 -1.475) 2.604 2.898 ( -2.409 0.841 -1.055) 2.761 2.932 ( -2.616 2.199 -3.433) 4.845 3.336 ( -2.451 -0.366 0.259) 2.492 3.343 ( -1.758 0.334 -0.432) 1.841 3.417 ( 4.680 -0.211 3.504) 5.850 3.479 ( 4.447 0.559 -2.315) 5.044 3.563 ( -4.297 1.199 1.545) 4.721 3.594 ( -4.562 1.493 -1.189) 4.945 3.732 ( 4.606 -0.928 1.264) 4.866 3.761 ( 3.894 -0.678 -1.414) 4.198 3.893 ( 12.016 -1.245 -0.591) 12.095 3.896 ( 12.145 -1.430 -0.967) 12.267 3.988 ( 8.295 -0.016 1.635) 8.455 3.991 ( 8.033 -0.022 1.544) 8.180 4.197 ( 0.595 -1.180 0.239) 1.343 4.204 ( -0.039 -0.812 -0.441) 0.925 5.989 ( 1.653 1.251 2.298) 3.095 6.044 ( 3.461 -0.117 -2.492) 4.266 6.607 ( 2.926 -1.179 2.616) 4.098 6.662 ( 3.852 -0.104 -2.306) 4.490 7.031 ( 2.437 3.812 0.551) 4.558 7.053 ( 1.511 3.759 -1.493) 4.318 7.137 ( 1.375 0.346 1.620) 2.153 7.162 ( 2.584 -0.443 -0.687) 2.710 7.347 ( 6.131 -1.179 0.103) 6.244 7.352 ( 5.695 -1.946 -0.322) 6.027 7.552 ( 4.443 -0.215 2.355) 5.033 7.612 ( 4.908 0.228 -3.043) 5.779 7.782 ( 0.970 0.120 1.602) 1.876 7.808 ( -0.078 0.073 -0.806) 0.813 8.047 ( -1.101 -0.258 2.473) 2.720 8.098 ( -1.799 0.793 -1.973) 2.785 8.112 ( -0.432 0.862 0.821) 1.266 8.145 ( -0.093 0.426 -2.239) 2.282 8.310 ( -4.524 1.627 3.754) 6.100 8.374 ( -6.405 1.861 -1.984) 6.958 8.545 ( -5.896 2.030 0.421) 6.250 8.563 ( -6.851 1.974 -1.017) 7.202 9.342 ( 4.942 0.135 0.143) 4.946 9.349 ( 4.813 0.100 -0.502) 4.840 9.473 ( 2.512 0.394 0.149) 2.547 9.477 ( 2.489 0.351 -0.148) 2.518 9.651 ( 7.174 -0.618 0.688) 7.233 9.669 ( 6.601 -1.377 -0.872) 6.799 10.083 ( 1.181 -0.536 0.322) 1.336 10.086 ( 0.542 -0.319 0.023) 0.629 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.488 0.113 2.485) 2.534 1.764 ( 0.842 -0.057 -2.114) 2.276 2.075 ( -3.365 3.762 1.335) 5.221 2.105 ( -2.029 3.136 -1.161) 3.911 2.147 ( 2.909 0.676 2.127) 3.666 2.164 ( 0.937 0.861 0.355) 1.321 2.224 ( -1.098 -0.505 1.792) 2.162 2.253 ( -1.241 -0.392 -0.900) 1.582 2.292 ( 2.548 -0.303 0.617) 2.639 2.321 ( 2.285 -0.290 -1.578) 2.792 2.376 ( -0.030 -0.250 6.005) 6.010 2.408 ( -1.925 -0.458 4.401) 4.825 2.512 ( -2.181 -1.653 -1.306) 3.033 2.547 ( 1.028 0.356 -3.844) 3.995 2.635 ( 0.648 1.625 -0.572) 1.840 2.674 ( 0.433 0.053 -2.079) 2.124 2.729 ( 0.142 -0.703 1.133) 1.341 2.769 ( -0.458 -0.061 -2.053) 2.104 2.803 ( -0.778 -1.991 -0.553) 2.208 2.841 ( 1.049 -0.271 -2.492) 2.717 2.863 ( -0.024 0.936 -0.922) 1.314 2.879 ( -0.819 1.830 -2.538) 3.234 3.299 ( -1.120 -0.491 0.380) 1.280 3.310 ( -1.068 0.060 -0.675) 1.265 3.466 ( -1.474 0.554 0.650) 1.704 3.476 ( -0.952 1.051 -0.011) 1.418 3.520 ( -0.641 -1.064 1.520) 1.963 3.540 ( 0.409 0.600 -0.172) 0.746 3.798 ( 2.022 -0.295 0.695) 2.159 3.812 ( 1.348 -0.131 -0.483) 1.438 4.048 ( 3.178 0.354 0.489) 3.235 4.062 ( 3.634 0.059 -0.868) 3.737 4.113 ( 3.445 0.033 1.051) 3.602 4.120 ( 3.745 -0.235 0.409) 3.775 4.222 ( 1.334 -0.899 0.059) 1.610 4.225 ( 1.511 -0.874 -0.174) 1.754 5.999 ( -0.094 0.581 3.995) 4.038 6.094 ( 1.375 -0.098 -4.459) 4.667 6.673 ( 2.631 -0.872 2.798) 3.939 6.729 ( 2.351 -0.389 -2.191) 3.237 7.001 ( -2.513 2.189 0.609) 3.388 7.016 ( -2.630 1.970 -0.785) 3.378 7.175 ( 1.506 -0.605 1.869) 2.475 7.213 ( 1.769 -0.582 -1.544) 2.419 7.454 ( 3.632 0.192 -0.172) 3.641 7.455 ( 3.442 0.008 -0.265) 3.452 7.624 ( 2.145 -0.192 2.204) 3.082 7.676 ( 1.458 0.102 -2.533) 2.924 7.788 ( -0.138 0.136 0.818) 0.841 7.800 ( -0.519 -0.033 -0.282) 0.592 8.033 ( -0.449 -0.683 1.546) 1.749 8.064 ( -1.137 0.133 -1.035) 1.544 8.093 ( -0.839 1.505 0.509) 1.796 8.121 ( -1.612 0.997 -2.226) 2.923 8.249 ( -1.375 0.664 2.479) 2.911 8.274 ( -2.278 -0.016 -0.207) 2.287 8.436 ( -3.796 0.768 -0.180) 3.877 8.441 ( -3.971 0.595 -0.730) 4.082 9.403 ( 1.421 0.060 -0.009) 1.422 9.407 ( 1.299 0.142 -0.387) 1.363 9.506 ( 0.885 0.077 0.095) 0.893 9.508 ( 0.787 0.102 -0.072) 0.796 9.754 ( 2.771 -0.107 0.536) 2.825 9.767 ( 2.612 -0.501 -0.679) 2.745 10.106 ( 0.904 -0.141 0.264) 0.952 10.108 ( 0.823 -0.282 0.086) 0.874 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.750 -0.111 2.673) 2.779 1.766 ( -0.650 0.098 -2.344) 2.434 2.019 ( -1.135 -0.866 1.625) 2.163 2.056 ( -1.898 -1.066 -1.717) 2.773 2.122 ( -4.173 -1.428 1.292) 4.596 2.134 ( -3.840 -1.702 -0.149) 4.203 2.224 ( -0.926 -0.214 3.262) 3.397 2.250 ( 0.691 -0.610 0.218) 0.947 2.297 ( -1.898 0.145 0.608) 1.999 2.321 ( -0.923 -0.258 -1.173) 1.514 2.372 ( -1.173 -0.538 5.218) 5.376 2.422 ( 2.281 0.633 3.803) 4.479 2.477 ( -2.187 -3.189 -0.717) 3.932 2.563 ( 0.575 0.348 -1.559) 1.697 2.625 ( -0.832 1.240 -2.532) 2.939 2.680 ( 0.342 0.510 -2.660) 2.729 2.728 ( -0.597 -0.750 1.114) 1.470 2.761 ( -0.573 -0.596 -1.403) 1.628 2.807 ( 0.508 -2.509 -2.073) 3.294 2.843 ( 0.091 -0.615 -4.823) 4.863 2.871 ( 1.116 2.224 0.208) 2.497 2.887 ( 1.632 2.780 -1.008) 3.377 3.304 ( 1.331 -0.051 -0.037) 1.333 3.307 ( 0.761 -0.188 -0.353) 0.860 3.445 ( -1.414 -1.418 0.587) 2.086 3.450 ( 0.142 -1.155 0.116) 1.170 3.526 ( -0.785 -0.229 1.661) 1.851 3.542 ( 0.664 0.687 0.145) 0.967 3.815 ( -0.353 1.048 0.338) 1.156 3.821 ( -0.183 0.659 -0.186) 0.709 4.038 ( -3.794 -0.463 0.991) 3.949 4.060 ( -3.406 -0.125 -1.066) 3.571 4.112 ( -3.393 -0.048 1.097) 3.566 4.124 ( -3.235 0.027 -0.015) 3.236 4.244 ( 0.302 0.928 0.049) 0.977 4.247 ( 0.285 0.931 -0.161) 0.987 5.983 ( -1.467 -0.747 4.811) 5.085 6.096 ( -1.287 -0.013 -5.146) 5.305 6.696 ( -0.731 1.028 2.114) 2.462 6.739 ( -1.771 0.423 -1.701) 2.491 6.945 ( -2.522 -2.374 0.696) 3.533 6.962 ( -2.454 -2.501 -0.763) 3.586 7.183 ( -0.933 0.096 1.965) 2.177 7.224 ( -0.894 0.324 -1.652) 1.906 7.464 ( -2.299 1.049 0.047) 2.527 7.470 ( -1.604 1.247 -0.548) 2.104 7.626 ( -1.987 -0.066 2.002) 2.822 7.669 ( -2.144 -0.533 -1.825) 2.866 7.784 ( -0.124 -0.115 0.533) 0.560 7.796 ( 0.148 -0.302 -0.495) 0.598 8.044 ( 0.896 -0.571 1.357) 1.724 8.059 ( 0.653 0.024 0.065) 0.656 8.073 ( -0.219 0.353 -0.077) 0.423 8.099 ( 0.229 -0.593 -2.531) 2.610 8.232 ( -0.248 -0.811 2.794) 2.920 8.266 ( 0.634 -0.661 -0.518) 1.052 8.409 ( 1.127 -1.441 0.028) 1.830 8.419 ( 1.596 -1.241 -0.922) 2.222 9.402 ( -1.530 -0.029 -0.108) 1.534 9.404 ( -1.536 -0.112 -0.299) 1.569 9.506 ( -0.986 0.003 0.016) 0.986 9.506 ( -1.037 -0.088 0.003) 1.040 9.758 ( -2.176 0.282 0.789) 2.332 9.778 ( -1.610 0.369 -0.912) 1.887 10.110 ( -0.482 0.163 0.435) 0.670 10.116 ( -0.167 0.328 -0.082) 0.377 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -1.987 -0.315 2.586) 3.277 1.737 ( -2.178 0.175 -2.152) 3.067 1.988 ( -7.713 -3.759 1.325) 8.682 2.006 ( -6.233 -2.583 0.459) 6.763 2.056 ( -0.406 -3.885 2.065) 4.419 2.093 ( -0.246 -3.816 -1.276) 4.032 2.137 ( -7.093 -0.760 3.015) 7.745 2.203 ( -5.751 0.457 -1.923) 6.081 2.278 ( -1.501 0.076 2.049) 2.541 2.297 ( -1.447 -1.649 0.805) 2.337 2.393 ( 2.313 -1.885 1.213) 3.221 2.425 ( -0.656 -1.425 -0.849) 1.783 2.484 ( 0.653 -0.616 2.463) 2.622 2.572 ( 0.565 0.214 1.150) 1.299 2.590 ( -1.826 1.455 -2.600) 3.494 2.683 ( 0.488 1.053 -2.806) 3.036 2.719 ( -0.577 -0.746 1.710) 1.953 2.750 ( -1.062 -1.338 -1.154) 2.062 2.841 ( 0.219 -1.337 -1.150) 1.777 2.858 ( 0.952 -1.872 -3.953) 4.477 2.885 ( 1.271 2.093 -1.410) 2.826 2.895 ( 1.456 2.415 -1.910) 3.406 3.330 ( 1.081 -0.435 0.458) 1.252 3.344 ( 1.961 0.181 -0.563) 2.048 3.421 ( -1.882 -0.224 2.627) 3.239 3.464 ( -1.291 -1.197 -1.388) 2.242 3.520 ( 0.429 -2.451 1.909) 3.137 3.550 ( -0.134 -1.378 -0.662) 1.535 3.773 ( -3.000 2.194 0.612) 3.767 3.787 ( -3.012 1.471 -0.699) 3.424 3.905 ( -9.803 -0.317 0.859) 9.846 3.926 ( -9.868 0.976 -1.147) 9.982 3.994 ( -7.645 0.540 1.530) 7.815 4.010 ( -6.757 1.357 0.121) 6.893 4.229 ( -0.832 1.432 -0.076) 1.658 4.230 ( -0.717 1.390 -0.108) 1.568 5.953 ( -2.118 -1.677 4.209) 5.001 6.047 ( -3.412 0.149 -3.995) 5.255 6.640 ( -3.538 1.451 1.016) 3.957 6.665 ( -4.778 0.098 -1.211) 4.930 6.920 ( -2.887 -5.207 0.694) 5.994 6.941 ( -2.420 -5.121 -1.277) 5.806 7.141 ( -2.968 0.376 1.980) 3.587 7.177 ( -3.386 0.832 -1.259) 3.708 7.376 ( -4.946 1.372 0.862) 5.205 7.399 ( -3.840 1.973 -1.229) 4.489 7.558 ( -4.277 0.189 2.053) 4.748 7.602 ( -4.790 -0.721 -1.742) 5.147 7.781 ( -0.346 0.151 0.873) 0.951 7.804 ( 0.255 -0.269 -1.040) 1.104 8.057 ( 0.930 0.458 1.550) 1.865 8.082 ( 1.149 -0.208 -0.755) 1.390 8.087 ( 0.936 -1.118 0.974) 1.753 8.127 ( 1.164 -1.035 -2.354) 2.822 8.261 ( 2.585 -2.483 3.316) 4.883 8.318 ( 3.784 -2.774 -1.757) 5.010 8.479 ( 3.859 -3.506 0.584) 5.247 8.499 ( 4.590 -3.240 -1.197) 5.744 9.339 ( -4.923 -0.104 0.149) 4.927 9.347 ( -4.404 -0.066 -0.580) 4.443 9.466 ( -3.021 -0.202 0.119) 3.030 9.469 ( -2.835 -0.266 -0.119) 2.850 9.671 ( -6.118 0.883 1.297) 6.316 9.701 ( -5.473 1.236 -1.402) 5.783 10.094 ( -0.637 0.405 0.430) 0.869 10.100 ( -0.859 0.752 -0.066) 1.143 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -3.849 -0.237 2.349) 4.516 1.674 ( -4.361 0.041 -1.473) 4.603 1.795 ( -13.261 -2.632 3.094) 13.869 1.831 ( -10.492 1.294 2.479) 10.859 1.959 ( -9.180 0.362 0.404) 9.196 2.047 ( -8.270 2.158 -3.770) 9.341 2.096 ( -1.390 -5.167 2.213) 5.790 2.148 ( 1.693 -5.556 -1.965) 6.132 2.222 ( -3.653 -2.181 3.102) 5.265 2.270 ( -2.800 -4.067 -1.693) 5.220 2.439 ( 0.722 -1.568 1.166) 2.083 2.458 ( 2.251 -0.719 -0.285) 2.380 2.476 ( -1.844 -2.539 1.029) 3.302 2.535 ( -3.261 0.700 -3.420) 4.777 2.582 ( 0.710 1.619 4.575) 4.905 2.679 ( -0.652 1.908 -2.969) 3.589 2.726 ( 0.990 -1.009 0.853) 1.650 2.731 ( -2.239 -2.444 -0.045) 3.314 2.817 ( -1.902 1.600 0.581) 2.553 2.853 ( -1.213 2.394 -1.678) 3.165 2.912 ( 0.609 -3.975 -2.567) 4.771 2.930 ( 1.186 -0.376 -3.812) 4.010 3.304 ( -6.048 0.372 2.727) 6.645 3.343 ( -4.183 -0.553 -0.663) 4.271 3.374 ( -5.763 2.275 0.344) 6.206 3.388 ( -2.249 1.965 -1.016) 3.155 3.502 ( -6.262 -2.907 1.025) 6.980 3.525 ( -4.984 -2.405 -0.728) 5.582 3.659 ( -10.953 2.034 0.187) 11.142 3.668 ( -7.865 3.178 -0.164) 8.484 3.688 ( -7.752 0.714 0.981) 7.847 3.717 ( -5.111 1.128 -1.634) 5.483 3.854 ( -4.507 0.430 3.343) 5.627 3.899 ( -2.420 1.398 -1.006) 2.970 4.208 ( -0.203 0.929 0.445) 1.050 4.221 ( 0.477 0.422 -0.673) 0.926 5.919 ( -2.253 -1.541 2.640) 3.798 5.971 ( -3.653 0.020 -1.967) 4.149 6.566 ( -3.039 0.014 0.004) 3.039 6.569 ( -4.868 -0.969 -0.292) 4.973 6.871 ( -4.941 -4.632 1.062) 6.856 6.906 ( -4.001 -4.650 -2.107) 6.486 7.064 ( -4.822 -0.207 1.119) 4.955 7.083 ( -5.759 0.389 -0.547) 5.798 7.279 ( -3.493 1.672 1.446) 4.134 7.313 ( -3.411 2.889 -1.528) 4.724 7.471 ( -4.014 0.384 1.297) 4.236 7.499 ( -5.362 0.022 -1.080) 5.469 7.765 ( -0.971 1.060 1.393) 2.002 7.802 ( -0.449 0.465 -1.836) 1.946 8.080 ( 1.494 0.650 3.390) 3.761 8.103 ( 0.710 -0.734 0.178) 1.037 8.109 ( 0.807 -0.778 -0.085) 1.124 8.156 ( 1.833 -0.451 -3.035) 3.574 8.355 ( 4.533 -3.954 3.741) 7.084 8.435 ( 5.354 -4.669 -3.210) 7.795 8.585 ( 4.032 -5.215 1.512) 6.763 8.620 ( 4.858 -5.240 -1.651) 7.334 9.205 ( -8.389 0.214 0.665) 8.418 9.226 ( -7.548 0.672 -1.166) 7.667 9.386 ( -5.437 -0.589 0.382) 5.482 9.394 ( -5.010 -0.525 -0.360) 5.051 9.517 ( -7.958 1.945 1.861) 8.401 9.560 ( -7.237 2.157 -1.924) 7.793 10.083 ( 0.130 0.627 0.861) 1.073 10.099 ( 1.282 0.028 -0.504) 1.378 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -15.660 0.231 5.152) 16.487 1.498 ( -11.738 2.733 5.143) 13.103 1.576 ( -9.518 1.999 0.352) 9.732 1.607 ( -8.476 1.154 -3.138) 9.112 1.795 ( -5.703 1.243 -0.719) 5.881 1.864 ( -7.654 3.380 -4.378) 9.444 2.046 ( -5.469 -1.794 5.626) 8.048 2.141 ( -3.960 -1.377 -2.811) 5.048 2.217 ( -0.196 -5.882 1.351) 6.038 2.258 ( -2.067 -6.730 -1.893) 7.290 2.388 ( -5.276 -0.563 1.553) 5.529 2.435 ( -7.216 -0.906 -1.551) 7.437 2.472 ( -1.234 -2.290 1.908) 3.226 2.507 ( 0.820 -1.601 -1.279) 2.207 2.558 ( -3.391 3.474 0.941) 4.945 2.606 ( -6.346 3.365 -4.100) 8.271 2.655 ( -6.901 -0.398 4.361) 8.173 2.746 ( -2.288 1.643 -1.404) 3.147 2.759 ( -0.261 -0.082 1.670) 1.693 2.812 ( -3.204 0.121 -2.150) 3.860 2.904 ( -4.702 -0.810 -1.832) 5.110 2.921 ( -2.044 -3.561 -3.193) 5.201 3.049 ( -11.812 5.197 4.086) 13.536 3.142 ( -9.633 5.811 -5.018) 12.318 3.238 ( -10.163 -2.512 0.358) 10.475 3.253 ( -9.619 -2.671 -0.852) 10.019 3.384 ( -8.022 2.569 0.988) 8.481 3.410 ( -6.975 2.289 -1.957) 7.597 3.454 ( -6.407 3.773 1.336) 7.554 3.477 ( -4.106 3.339 0.070) 5.293 3.557 ( -6.991 -0.086 5.920) 9.162 3.671 ( -2.270 -1.601 -4.142) 4.987 3.834 ( 1.003 -2.098 3.738) 4.402 3.895 ( 1.069 -1.597 -2.098) 2.846 4.222 ( 1.907 -0.081 1.146) 2.226 4.250 ( 2.443 -0.341 -1.375) 2.824 5.883 ( -1.738 -0.678 2.473) 3.098 5.923 ( -0.959 -0.993 -1.060) 1.740 6.487 ( -3.941 -1.178 1.317) 4.319 6.525 ( -1.646 -1.405 -1.984) 2.936 6.781 ( -5.844 -2.302 2.281) 6.682 6.830 ( -5.953 -2.353 -1.834) 6.659 6.938 ( -8.744 -0.976 0.280) 8.802 6.950 ( -7.511 -2.225 -0.772) 7.871 7.221 ( -2.040 4.037 0.071) 4.524 7.234 ( -1.161 4.245 -0.733) 4.461 7.403 ( -2.869 0.230 0.035) 2.879 7.405 ( -3.255 0.843 -0.076) 3.363 7.734 ( -1.034 2.334 1.729) 3.084 7.781 ( -0.954 1.995 -2.394) 3.259 8.097 ( 0.706 0.407 3.102) 3.208 8.121 ( 0.344 -0.246 -0.211) 0.472 8.137 ( 2.249 -0.228 1.835) 2.911 8.210 ( 3.169 -0.483 -3.526) 4.766 8.468 ( 4.088 -4.534 4.281) 7.456 8.564 ( 4.277 -5.066 -4.216) 7.857 8.687 ( 2.560 -6.673 2.419) 7.545 8.737 ( 2.916 -6.907 -2.183) 7.809 9.013 ( -10.061 1.073 1.399) 10.214 9.050 ( -8.724 2.004 -2.011) 9.175 9.242 ( -8.800 0.845 1.782) 9.018 9.272 ( -7.266 -0.007 -0.939) 7.326 9.367 ( -5.757 1.603 1.514) 6.165 9.412 ( -5.982 2.425 -2.468) 6.911 10.105 ( 2.291 -0.137 2.534) 3.419 10.154 ( 4.004 -1.175 -1.829) 4.556 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -17.918 4.159 8.371) 20.210 1.215 ( -13.784 6.377 12.890) 19.920 1.310 ( -12.502 5.497 -8.198) 15.929 1.455 ( -8.763 2.232 -7.994) 12.069 1.715 ( -2.889 0.096 0.268) 2.903 1.737 ( -3.202 2.264 -0.714) 3.986 1.925 ( -9.099 -1.472 6.233) 11.127 1.998 ( -16.113 7.108 2.037) 17.728 2.084 ( -14.255 0.399 1.131) 14.305 2.178 ( -12.954 0.331 -2.574) 13.211 2.230 ( -6.966 1.915 3.542) 8.047 2.288 ( -2.600 -2.264 1.830) 3.903 2.345 ( -6.749 3.058 -3.685) 8.275 2.407 ( -4.274 0.642 -8.718) 9.730 2.480 ( -5.403 -1.322 2.722) 6.193 2.545 ( -1.465 0.339 -2.053) 2.545 2.551 ( -1.102 1.633 1.275) 2.346 2.608 ( -7.565 3.019 -3.938) 9.047 2.727 ( -2.189 -0.426 2.044) 3.025 2.764 ( -0.227 0.626 -1.943) 2.054 2.843 ( -3.211 -2.219 0.075) 3.904 2.861 ( -4.442 -0.999 -1.178) 4.703 2.919 ( -3.266 -1.249 2.238) 4.152 2.984 ( -5.574 0.583 -1.468) 5.793 3.065 ( -8.514 -1.254 -0.447) 8.617 3.085 ( -6.674 -0.832 -2.111) 7.049 3.198 ( -8.167 0.221 0.740) 8.204 3.232 ( -7.188 1.915 -2.378) 7.809 3.316 ( -6.561 3.936 3.374) 8.362 3.385 ( -4.576 4.430 -2.655) 6.900 3.464 ( -1.421 1.748 10.354) 10.597 3.641 ( -1.130 -0.394 -6.326) 6.438 3.874 ( 0.887 -3.764 3.187) 5.011 3.932 ( 0.812 -3.929 -2.220) 4.585 4.277 ( 3.118 -0.749 1.407) 3.502 4.311 ( 3.064 -0.566 -1.608) 3.506 5.870 ( 0.519 -0.426 5.888) 5.926 5.954 ( 2.920 -2.849 -1.770) 4.447 6.429 ( -2.370 -0.690 2.218) 3.318 6.501 ( -2.015 -0.893 -4.332) 4.861 6.660 ( -7.613 0.415 1.803) 7.835 6.681 ( -9.327 0.668 -0.278) 9.355 6.755 ( -9.623 -3.915 1.981) 10.576 6.809 ( -9.035 -6.403 -2.329) 11.316 7.150 ( -0.615 8.206 2.446) 8.585 7.228 ( 2.530 6.465 -4.523) 8.286 7.348 ( -1.539 0.757 0.693) 1.850 7.373 ( -0.518 -0.103 -1.747) 1.825 7.703 ( -0.316 3.668 1.731) 4.068 7.749 ( -0.307 3.901 -2.407) 4.595 8.114 ( 1.399 0.281 2.207) 2.628 8.132 ( 0.852 -0.118 -0.233) 0.891 8.190 ( 3.092 0.199 4.038) 5.089 8.283 ( 3.776 -0.626 -3.732) 5.345 8.546 ( 0.354 -4.019 3.850) 5.577 8.620 ( -2.552 -3.361 -2.550) 4.931 8.734 ( -2.651 -5.592 1.112) 6.288 8.766 ( -5.072 -2.668 -1.731) 5.987 8.858 ( -2.587 -3.659 1.504) 4.727 8.904 ( -3.796 0.374 -2.669) 4.655 9.077 ( -5.258 2.829 2.950) 6.660 9.132 ( -5.251 1.646 -1.956) 5.840 9.258 ( -4.774 0.569 0.901) 4.892 9.295 ( -4.765 1.764 -2.609) 5.711 10.176 ( 4.334 -1.506 5.337) 7.039 10.268 ( 6.053 -2.885 -3.061) 7.372 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -13.589 8.922 13.865) 21.366 0.892 ( -14.901 8.338 17.001) 24.096 1.058 ( -8.362 7.404 -13.424) 17.463 1.201 ( -14.273 6.763 -12.367) 20.060 1.361 ( -24.226 18.872 17.410) 35.301 1.638 ( -5.855 -1.255 -2.149) 6.362 1.720 ( -0.497 1.086 5.303) 5.436 1.837 ( -4.208 4.736 -5.994) 8.722 1.856 ( -3.003 -0.967 5.568) 6.400 2.000 ( -7.045 1.098 -5.500) 9.005 2.098 ( -4.504 6.660 -4.083) 9.018 2.137 ( -5.506 4.542 -4.255) 8.310 2.272 ( -7.432 0.093 1.841) 7.657 2.311 ( -6.109 -0.917 -1.790) 6.432 2.360 ( -2.017 -1.212 4.837) 5.379 2.492 ( 1.411 -3.293 -6.087) 7.063 2.574 ( 1.331 -1.005 -0.386) 1.712 2.586 ( 1.562 -0.342 -1.634) 2.286 2.713 ( -0.118 -0.303 1.903) 1.931 2.738 ( -3.296 -0.340 -1.009) 3.464 2.765 ( -3.895 0.283 -0.979) 4.026 2.770 ( -4.407 0.067 -1.306) 4.597 2.838 ( -5.515 -1.695 2.475) 6.278 2.890 ( -4.696 -2.135 -2.277) 5.639 2.947 ( -2.288 2.225 1.803) 3.665 2.986 ( -3.281 -1.190 -1.534) 3.813 3.067 ( -6.526 -0.034 1.404) 6.676 3.119 ( -4.325 1.328 -2.550) 5.193 3.203 ( -1.998 -0.645 4.056) 4.567 3.292 ( -1.563 3.681 -3.544) 5.344 3.441 ( 0.179 3.505 10.140) 10.730 3.626 ( -0.308 1.360 -6.775) 6.917 3.905 ( 0.184 -3.611 2.973) 4.681 3.968 ( 0.513 -3.739 -2.819) 4.710 4.342 ( 2.588 -0.946 1.307) 3.050 4.369 ( 2.305 -0.547 -1.151) 2.633 5.939 ( 6.910 -2.673 11.522) 13.699 6.063 ( 5.453 -4.866 -1.579) 7.477 6.395 ( -2.087 0.139 1.254) 2.438 6.415 ( -7.460 1.379 -0.264) 7.591 6.487 ( -5.850 1.273 -0.082) 5.988 6.496 ( -7.622 1.350 -0.724) 7.775 6.619 ( -11.615 -10.198 0.764) 15.476 6.676 ( -5.501 -7.093 -2.768) 9.393 7.102 ( 0.691 10.142 4.592) 11.154 7.243 ( 2.880 8.642 -7.935) 12.080 7.332 ( -0.073 0.166 0.911) 0.929 7.380 ( 1.689 3.155 -5.007) 6.154 7.681 ( 0.490 4.603 1.908) 5.007 7.732 ( 1.052 5.398 -2.565) 6.068 8.157 ( 3.046 0.138 1.059) 3.228 8.162 ( 2.182 -0.129 0.095) 2.188 8.261 ( 4.467 0.143 6.504) 7.891 8.363 ( 3.513 -1.137 -3.184) 4.875 8.494 ( -6.044 -1.216 1.469) 6.338 8.521 ( -5.500 0.115 -0.855) 5.568 8.632 ( -8.151 -1.871 0.003) 8.363 8.663 ( -6.323 0.175 -2.721) 6.886 8.863 ( -0.547 -6.156 2.084) 6.522 8.913 ( 2.085 -3.930 -1.803) 4.801 9.021 ( -0.053 1.327 2.387) 2.731 9.066 ( -1.736 0.325 -1.782) 2.509 9.169 ( -3.952 0.034 0.793) 4.030 9.201 ( -3.112 2.608 -2.441) 4.738 10.301 ( 6.703 -5.066 8.801) 12.168 10.413 ( 5.780 -4.654 -2.706) 7.899 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 11.832 18.787) 22.202 0.573 ( 0.000 13.777 19.326) 23.734 0.925 ( 0.000 5.913 -16.417) 17.449 0.957 ( 0.000 10.042 -15.263) 18.270 1.002 ( 0.000 17.134 33.761) 37.860 1.590 ( -0.000 -2.539 -14.688) 14.906 1.694 ( 0.000 1.999 9.585) 9.791 1.800 ( 0.000 0.789 3.112) 3.211 1.877 ( 0.000 0.847 -7.577) 7.624 1.886 ( -0.000 -0.455 -3.119) 3.152 1.994 ( 0.000 8.183 -0.928) 8.236 2.087 ( 0.000 1.297 -5.853) 5.995 2.178 ( 0.000 0.010 2.972) 2.972 2.227 ( -0.000 -0.564 -1.622) 1.718 2.377 ( -0.000 -1.559 6.927) 7.100 2.539 ( -0.000 -2.621 -6.702) 7.197 2.599 ( -0.000 -0.523 -0.499) 0.723 2.612 ( -0.000 -0.585 -2.000) 2.084 2.668 ( -0.000 -0.401 1.293) 1.353 2.697 ( -0.000 -0.733 -1.306) 1.497 2.731 ( 0.000 0.107 0.230) 0.253 2.737 ( 0.000 0.355 -0.297) 0.462 2.781 ( -0.000 -3.254 2.937) 4.383 2.845 ( -0.000 -1.066 -3.958) 4.099 2.947 ( -0.000 -0.374 0.391) 0.541 2.950 ( 0.000 4.962 5.614) 7.492 2.955 ( -0.000 -0.583 -0.288) 0.650 3.062 ( 0.000 1.874 -3.884) 4.312 3.205 ( -0.000 -2.501 2.557) 3.577 3.270 ( 0.000 2.182 -3.330) 3.981 3.424 ( 0.000 3.573 10.472) 11.065 3.614 ( 0.000 1.487 -6.762) 6.923 3.925 ( -0.000 -2.609 2.959) 3.945 3.991 ( -0.000 -2.110 -3.353) 3.962 4.376 ( -0.000 -0.748 1.264) 1.469 4.399 ( -0.000 -0.477 -0.766) 0.902 6.183 ( -0.000 -6.038 2.691) 6.610 6.219 ( -0.000 -15.267 3.079) 15.575 6.269 ( 0.000 2.206 0.350) 2.233 6.277 ( 0.000 2.153 -0.360) 2.183 6.418 ( 0.000 1.523 0.077) 1.525 6.420 ( 0.000 1.543 -0.066) 1.544 6.474 ( -0.000 -9.505 12.244) 15.500 6.671 ( -0.000 -6.867 -6.182) 9.240 7.054 ( 0.000 9.542 5.311) 10.920 7.222 ( 0.000 12.468 -11.254) 16.796 7.332 ( 0.000 0.206 0.561) 0.597 7.371 ( 0.000 7.205 -5.156) 8.860 7.665 ( 0.000 3.538 1.948) 4.039 7.715 ( 0.000 5.186 -2.443) 5.733 8.198 ( -0.000 -0.293 0.396) 0.492 8.206 ( 0.000 0.111 -0.360) 0.377 8.380 ( -0.000 -1.126 0.370) 1.185 8.389 ( -0.000 -1.109 -0.436) 1.192 8.444 ( -0.000 -1.090 5.227) 5.339 8.459 ( 0.000 0.403 0.578) 0.704 8.472 ( 0.000 0.472 -0.538) 0.716 8.553 ( 0.000 1.674 -5.407) 5.660 8.914 ( -0.000 -6.800 4.009) 7.894 8.973 ( -0.000 -4.699 -0.854) 4.776 9.016 ( 0.000 0.003 0.766) 0.766 9.033 ( 0.000 0.040 -0.740) 0.741 9.117 ( 0.000 0.512 1.616) 1.695 9.153 ( 0.000 4.280 -2.023) 4.734 10.458 ( -0.000 -11.320 5.907) 12.769 10.508 ( -0.000 -4.634 -0.773) 4.698 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 5.121 -0.000 2.581) 5.735 1.675 ( 3.546 -0.000 -1.534) 3.863 1.799 ( 12.188 -0.000 6.953) 14.032 1.863 ( 15.179 -0.000 1.113) 15.219 1.968 ( 11.235 -0.000 -2.254) 11.459 1.987 ( 9.598 -0.000 -3.159) 10.104 2.220 ( 4.240 -0.000 1.571) 4.522 2.245 ( 1.949 -0.000 -0.382) 1.986 2.290 ( -1.798 0.000 2.844) 3.365 2.376 ( -1.503 0.000 -4.163) 4.427 2.417 ( -0.971 0.000 2.240) 2.441 2.495 ( -2.104 0.000 -0.485) 2.159 2.530 ( 0.150 -0.000 -1.464) 1.472 2.536 ( 4.039 -0.000 2.432) 4.715 2.589 ( 5.013 -0.000 -2.305) 5.517 2.597 ( 0.530 -0.000 -3.574) 3.613 2.741 ( 0.523 -0.000 2.629) 2.680 2.745 ( 0.767 -0.000 1.403) 1.599 2.800 ( -2.307 0.000 -0.520) 2.365 2.816 ( -1.432 0.000 -1.166) 1.847 2.948 ( -1.641 0.000 0.470) 1.707 2.996 ( -1.313 0.000 -3.339) 3.588 3.267 ( 10.488 -0.000 1.029) 10.538 3.275 ( 16.508 -0.000 0.131) 16.509 3.369 ( 0.196 -0.000 -0.030) 0.198 3.374 ( -0.338 0.000 -0.402) 0.525 3.569 ( 14.825 -0.000 -0.036) 14.825 3.579 ( 11.685 -0.000 -0.756) 11.710 3.582 ( 11.135 -0.000 1.459) 11.230 3.635 ( 11.752 -0.000 -3.740) 12.332 3.678 ( 2.392 -0.000 1.088) 2.628 3.685 ( -4.264 0.000 0.118) 4.266 3.852 ( 3.780 -0.000 1.933) 4.246 3.856 ( 0.650 -0.000 0.944) 1.146 4.189 ( -0.818 0.000 0.959) 1.260 4.213 ( -1.388 0.000 -1.185) 1.825 5.953 ( 3.029 -0.000 1.028) 3.198 5.972 ( 3.096 -0.000 -0.661) 3.166 6.556 ( 1.182 -0.000 1.226) 1.703 6.584 ( 4.127 -0.000 -1.216) 4.303 6.951 ( 6.872 -0.000 1.749) 7.091 7.000 ( 6.007 -0.000 -2.667) 6.573 7.142 ( 1.299 -0.000 0.369) 1.351 7.145 ( 2.420 -0.000 0.043) 2.420 7.187 ( 6.857 -0.000 0.390) 6.868 7.194 ( 6.598 -0.000 -0.212) 6.601 7.463 ( 3.884 -0.000 1.118) 4.041 7.497 ( 6.221 -0.000 -1.941) 6.517 7.749 ( 2.283 -0.000 2.135) 3.125 7.794 ( 1.656 -0.000 -1.926) 2.540 8.069 ( -1.150 0.000 4.087) 4.246 8.124 ( -0.179 0.000 0.089) 0.200 8.135 ( 0.372 -0.000 -0.589) 0.696 8.155 ( -2.751 0.000 -3.298) 4.295 8.438 ( -5.849 0.000 4.441) 7.344 8.534 ( -6.830 0.000 -4.049) 7.940 8.692 ( -6.273 0.000 1.931) 6.564 8.731 ( -7.361 0.000 -1.584) 7.530 9.206 ( 8.776 -0.000 -0.041) 8.776 9.207 ( 9.339 -0.000 -0.157) 9.341 9.421 ( 3.598 -0.000 -0.015) 3.598 9.422 ( 3.439 -0.000 -0.026) 3.439 9.456 ( 11.251 -0.000 1.158) 11.310 9.486 ( 9.506 -0.000 -1.534) 9.629 10.069 ( -0.636 0.000 1.451) 1.584 10.098 ( -2.198 0.000 -1.070) 2.445 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 1.796 0.094 1.953) 2.655 1.732 ( 2.205 -0.061 -1.525) 2.682 2.021 ( 9.288 0.023 5.903) 11.005 2.093 ( 7.779 0.835 -0.868) 7.872 2.162 ( 7.997 0.912 -0.072) 8.050 2.172 ( 8.016 -0.658 -0.655) 8.070 2.226 ( -3.017 2.832 1.183) 4.304 2.234 ( -2.156 2.751 0.221) 3.502 2.261 ( -1.507 -1.923 1.325) 2.779 2.326 ( -3.140 -0.342 -3.450) 4.677 2.389 ( -1.395 -0.334 2.725) 3.080 2.448 ( -2.405 0.085 1.238) 2.707 2.532 ( 0.499 0.154 -2.600) 2.651 2.551 ( -2.434 0.016 -1.601) 2.913 2.638 ( 3.110 1.420 0.950) 3.549 2.657 ( 1.469 -0.180 -0.602) 1.598 2.720 ( -0.893 -0.125 2.007) 2.200 2.758 ( 0.509 -1.757 0.408) 1.874 2.785 ( -0.692 0.424 -2.537) 2.664 2.798 ( 1.377 -0.652 -1.699) 2.282 2.905 ( -2.409 0.307 -0.154) 2.433 2.949 ( -2.863 0.761 -3.539) 4.615 3.332 ( -2.600 -0.228 0.497) 2.657 3.345 ( -1.934 0.098 -0.719) 2.065 3.416 ( 5.517 -0.046 3.912) 6.763 3.485 ( 5.267 0.313 -2.519) 5.846 3.572 ( -5.457 0.401 1.386) 5.645 3.604 ( -5.960 0.329 -1.406) 6.132 3.727 ( 4.706 -0.070 1.234) 4.866 3.756 ( 4.059 -0.197 -1.409) 4.301 3.882 ( 13.110 -0.582 -0.673) 13.140 3.883 ( 13.072 -0.727 -0.914) 13.124 3.988 ( 8.584 0.006 1.766) 8.764 3.993 ( 8.278 0.156 1.538) 8.421 4.187 ( 0.447 -0.458 0.383) 0.746 4.198 ( -0.248 -0.293 -0.573) 0.690 5.999 ( 1.494 0.470 1.739) 2.341 6.043 ( 3.454 -0.047 -2.105) 4.045 6.597 ( 2.874 -0.442 3.101) 4.251 6.662 ( 3.677 -0.039 -2.590) 4.498 7.061 ( 3.566 1.380 0.442) 3.849 7.081 ( 1.202 1.174 -1.389) 2.179 7.145 ( -0.760 0.803 0.993) 1.486 7.157 ( 1.353 -0.403 -0.104) 1.416 7.335 ( 7.112 -0.816 -0.007) 7.158 7.337 ( 7.105 -0.528 -0.196) 7.128 7.550 ( 4.479 -0.069 2.427) 5.095 7.614 ( 4.915 0.068 -3.299) 5.920 7.783 ( 1.076 0.046 1.704) 2.016 7.809 ( -0.081 0.008 -0.714) 0.719 8.045 ( -1.145 -0.079 2.738) 2.969 8.104 ( -2.131 0.323 -2.367) 3.201 8.119 ( -0.343 0.323 0.661) 0.812 8.148 ( 0.410 0.106 -2.068) 2.111 8.323 ( -5.040 0.599 3.905) 6.404 8.388 ( -7.115 0.692 -2.024) 7.429 8.561 ( -6.447 0.707 0.393) 6.498 8.578 ( -7.483 0.691 -1.001) 7.581 9.343 ( 4.922 0.058 0.148) 4.924 9.350 ( 4.933 0.043 -0.470) 4.956 9.477 ( 2.256 0.190 0.116) 2.267 9.480 ( 2.295 0.142 -0.124) 2.303 9.647 ( 7.605 -0.098 0.298) 7.611 9.657 ( 7.047 -0.702 -0.513) 7.100 10.079 ( 1.251 -0.204 0.402) 1.330 10.084 ( 0.550 -0.113 -0.061) 0.565 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.396 0.067 2.423) 2.456 1.763 ( 0.927 -0.027 -2.038) 2.239 2.118 ( -4.355 3.428 1.260) 5.684 2.142 ( -2.014 2.928 0.209) 3.560 2.152 ( 0.205 0.464 1.498) 1.581 2.171 ( -0.127 0.566 0.296) 0.651 2.213 ( -1.537 -1.431 1.249) 2.443 2.245 ( -2.146 -0.963 -1.364) 2.718 2.289 ( 3.215 -0.179 0.453) 3.252 2.317 ( 2.896 -0.411 -1.947) 3.514 2.373 ( 0.331 -0.218 6.037) 6.051 2.404 ( -2.017 -0.311 3.981) 4.474 2.490 ( -3.495 -1.700 -0.062) 3.887 2.551 ( 1.116 0.128 -2.986) 3.191 2.651 ( -0.176 0.920 -1.396) 1.681 2.676 ( 0.726 0.341 -1.345) 1.566 2.721 ( 0.155 -0.522 0.504) 0.742 2.762 ( -0.877 -0.919 -3.652) 3.866 2.790 ( -0.039 -0.338 1.019) 1.075 2.842 ( 1.797 0.279 -3.184) 3.667 2.872 ( 0.274 0.615 -0.187) 0.699 2.896 ( -0.937 1.072 -2.662) 3.019 3.293 ( -1.047 -0.418 0.655) 1.304 3.310 ( -1.218 -0.038 -0.866) 1.495 3.471 ( -2.823 0.424 0.630) 2.923 3.485 ( -2.827 0.490 -0.513) 2.914 3.510 ( 1.139 -0.591 2.442) 2.759 3.545 ( 0.500 0.215 -0.684) 0.874 3.797 ( 2.512 -0.008 0.751) 2.621 3.811 ( 1.817 0.006 -0.506) 1.886 4.051 ( 3.262 0.182 0.264) 3.277 4.062 ( 3.949 0.037 -0.859) 4.042 4.114 ( 3.274 -0.027 1.005) 3.425 4.118 ( 3.299 -0.130 0.695) 3.374 4.214 ( 2.008 -0.528 0.063) 2.077 4.217 ( 2.362 -0.509 -0.188) 2.423 6.004 ( -0.691 0.313 3.697) 3.774 6.093 ( 1.391 -0.077 -4.224) 4.448 6.665 ( 3.248 -0.486 3.037) 4.474 6.726 ( 2.440 -0.220 -2.336) 3.386 7.021 ( -4.434 1.335 0.436) 4.651 7.034 ( -4.520 1.069 -0.712) 4.699 7.168 ( 1.854 -0.553 1.931) 2.734 7.207 ( 2.172 -0.461 -1.562) 2.715 7.457 ( 4.373 0.304 -0.191) 4.388 7.458 ( 4.282 0.391 -0.226) 4.306 7.621 ( 2.100 -0.163 2.279) 3.103 7.676 ( 1.213 -0.013 -2.713) 2.972 7.789 ( -0.285 0.054 0.814) 0.865 7.799 ( -0.657 -0.089 -0.163) 0.682 8.027 ( -0.660 -0.367 1.848) 1.996 8.065 ( -1.478 0.075 -1.359) 2.009 8.108 ( -0.654 1.046 0.156) 1.244 8.130 ( -1.872 0.536 -1.930) 2.742 8.256 ( -1.789 0.643 2.063) 2.805 8.272 ( -3.215 -0.346 0.319) 3.249 8.442 ( -4.722 0.340 -0.268) 4.742 8.446 ( -4.849 0.231 -0.689) 4.903 9.403 ( 1.361 0.043 0.030) 1.362 9.408 ( 1.218 0.089 -0.415) 1.290 9.507 ( 0.808 0.077 0.096) 0.817 9.509 ( 0.688 0.045 -0.066) 0.692 9.753 ( 2.950 0.038 0.312) 2.967 9.762 ( 3.072 -0.390 -0.475) 3.133 10.105 ( 1.009 -0.097 0.214) 1.036 10.106 ( 1.113 -0.141 0.136) 1.130 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.863 -0.073 2.759) 2.892 1.767 ( -0.594 0.083 -2.447) 2.519 2.018 ( -3.666 0.720 1.361) 3.976 2.049 ( -4.241 -0.264 -1.393) 4.471 2.105 ( -4.841 -1.699 0.838) 5.198 2.115 ( -4.446 -1.432 -0.464) 4.693 2.222 ( -1.446 -0.156 3.718) 3.993 2.241 ( 0.817 -0.890 0.951) 1.538 2.298 ( -1.819 0.094 0.518) 1.894 2.317 ( -0.422 -0.394 -1.256) 1.383 2.366 ( -2.037 -0.450 4.223) 4.710 2.425 ( 0.403 -0.487 0.944) 1.136 2.447 ( 0.266 -1.533 3.141) 3.505 2.563 ( 0.237 -0.147 0.718) 0.770 2.644 ( -0.038 1.896 -4.621) 4.995 2.686 ( 0.591 0.576 -2.218) 2.367 2.719 ( -0.648 -0.772 0.687) 1.220 2.751 ( -0.798 -1.201 -2.360) 2.766 2.779 ( -0.760 -2.055 -0.883) 2.362 2.838 ( -0.440 -0.184 -6.464) 6.481 2.896 ( 1.859 1.984 0.801) 2.835 2.916 ( 2.019 2.062 -0.980) 3.048 3.303 ( 1.642 -0.121 -0.014) 1.646 3.305 ( 0.729 -0.157 -0.247) 0.786 3.428 ( -2.052 -1.476 0.912) 2.687 3.438 ( -0.548 -0.896 -0.118) 1.057 3.526 ( -1.347 0.232 1.984) 2.409 3.548 ( 0.674 0.326 -0.090) 0.754 3.826 ( 0.414 0.854 0.215) 0.973 3.829 ( 0.127 0.670 -0.012) 0.682 4.033 ( -4.240 -0.360 1.156) 4.410 4.058 ( -3.518 -0.105 -1.205) 3.720 4.112 ( -3.165 -0.022 1.058) 3.338 4.123 ( -2.675 -0.074 -0.057) 2.676 4.253 ( 0.938 0.635 0.052) 1.134 4.256 ( 0.885 0.648 -0.168) 1.110 5.975 ( -2.060 -0.555 5.139) 5.564 6.095 ( -1.229 -0.046 -5.440) 5.577 6.706 ( 0.180 0.735 1.824) 1.975 6.743 ( -1.319 0.271 -1.446) 1.976 6.922 ( -4.687 -1.631 0.599) 4.998 6.937 ( -4.511 -1.815 -0.692) 4.912 7.183 ( -0.703 -0.096 2.103) 2.219 7.227 ( -0.498 0.141 -1.757) 1.832 7.477 ( -1.911 1.306 0.079) 2.316 7.485 ( -1.177 1.276 -0.629) 1.847 7.624 ( -2.025 -0.360 1.945) 2.830 7.662 ( -2.590 -0.655 -1.504) 3.066 7.784 ( -0.057 0.001 0.308) 0.313 7.793 ( 0.063 -0.268 -0.473) 0.548 8.034 ( 1.129 -0.813 1.611) 2.128 8.059 ( 0.874 -0.078 -0.164) 0.892 8.082 ( -0.735 0.947 -0.642) 1.360 8.096 ( -0.765 0.023 -2.263) 2.389 8.224 ( -0.930 -0.693 2.914) 3.137 8.258 ( -0.043 -0.743 -0.297) 0.802 8.394 ( -0.032 -1.221 0.105) 1.226 8.406 ( 0.682 -1.044 -1.076) 1.647 9.401 ( -1.522 -0.018 -0.138) 1.528 9.403 ( -1.677 -0.060 -0.269) 1.700 9.505 ( -1.098 -0.050 0.055) 1.100 9.506 ( -1.016 0.024 -0.023) 1.017 9.761 ( -1.968 0.230 0.801) 2.137 9.781 ( -1.240 0.223 -0.935) 1.569 10.112 ( -0.307 0.118 0.509) 0.606 10.119 ( 0.085 0.233 -0.151) 0.291 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -2.050 -0.250 2.804) 3.483 1.739 ( -2.204 0.119 -2.372) 3.240 1.942 ( -7.324 -3.986 1.669) 8.504 1.975 ( -4.350 -2.846 -0.973) 5.289 2.023 ( -3.141 -1.999 1.843) 4.155 2.056 ( -1.763 -2.753 -1.413) 3.561 2.131 ( -6.707 -0.270 4.279) 7.961 2.204 ( -5.482 -0.303 -1.565) 5.709 2.281 ( -0.241 -0.065 1.429) 1.451 2.283 ( -3.713 -0.015 2.251) 4.342 2.369 ( 1.491 -2.313 0.475) 2.793 2.400 ( -1.124 -2.537 -1.641) 3.223 2.490 ( 1.723 1.273 3.609) 4.197 2.573 ( 0.881 0.077 3.644) 3.749 2.614 ( -1.736 2.566 -4.306) 5.305 2.692 ( 0.419 0.396 -1.882) 1.968 2.711 ( -0.599 -0.555 1.018) 1.305 2.736 ( -1.400 -1.117 -1.081) 2.092 2.799 ( 0.688 -4.471 -2.678) 5.257 2.848 ( 0.774 -0.576 -7.032) 7.098 2.912 ( 1.151 2.429 -0.071) 2.689 2.926 ( 0.280 2.455 -0.945) 2.646 3.327 ( 1.034 -0.105 0.779) 1.299 3.346 ( 1.655 0.279 -0.631) 1.793 3.413 ( -0.567 -1.218 2.215) 2.591 3.447 ( -0.401 -1.706 -0.727) 1.898 3.495 ( -1.158 -1.668 2.594) 3.294 3.541 ( -1.496 -0.308 -1.423) 2.088 3.795 ( -2.784 1.611 0.513) 3.258 3.804 ( -2.563 1.469 -0.272) 2.967 3.900 ( -9.268 -0.539 1.704) 9.439 3.934 ( -8.841 0.555 -1.543) 8.992 4.001 ( -7.291 0.539 1.599) 7.484 4.024 ( -6.183 1.111 -0.544) 6.305 4.244 ( -0.889 1.143 -0.013) 1.448 4.246 ( -0.999 1.229 -0.154) 1.591 5.936 ( -2.283 -1.329 5.068) 5.715 6.048 ( -3.328 0.120 -4.770) 5.818 6.654 ( -4.265 0.982 0.380) 4.393 6.666 ( -5.518 0.013 -0.669) 5.558 6.867 ( -3.150 -4.070 0.761) 5.203 6.890 ( -2.414 -3.873 -1.363) 4.763 7.144 ( -2.991 0.150 2.269) 3.757 7.186 ( -3.317 0.658 -1.468) 3.686 7.393 ( -4.870 1.599 0.953) 5.214 7.420 ( -3.724 1.640 -1.518) 4.343 7.558 ( -4.290 -0.340 1.949) 4.724 7.592 ( -4.730 -1.056 -1.040) 4.956 7.785 ( 0.098 0.406 0.384) 0.567 7.801 ( 0.496 -0.171 -0.995) 1.125 8.059 ( 0.872 -0.055 1.317) 1.580 8.076 ( 0.903 -0.551 0.330) 1.108 8.086 ( 1.363 0.937 -0.229) 1.670 8.116 ( 1.625 -0.781 -2.115) 2.779 8.233 ( 1.479 -2.432 3.243) 4.315 8.287 ( 2.390 -2.714 -1.474) 3.905 8.441 ( 2.881 -3.141 0.737) 4.325 8.465 ( 3.586 -2.726 -1.438) 4.729 9.338 ( -4.881 -0.060 0.160) 4.884 9.346 ( -4.219 -0.032 -0.606) 4.263 9.464 ( -3.096 -0.129 0.114) 3.101 9.467 ( -2.924 -0.083 -0.113) 2.927 9.679 ( -5.785 0.664 1.438) 5.997 9.713 ( -5.141 0.842 -1.526) 5.428 10.099 ( -0.624 0.311 0.600) 0.919 10.108 ( -0.799 0.602 -0.224) 1.025 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -3.684 -0.300 2.426) 4.421 1.675 ( -4.409 0.054 -1.699) 4.726 1.770 ( -11.083 -1.563 3.715) 11.794 1.844 ( -8.595 0.961 -1.196) 8.731 1.967 ( -7.765 0.969 3.102) 8.418 2.036 ( -1.302 -5.213 1.347) 5.539 2.062 ( -5.298 -0.552 -2.227) 5.774 2.086 ( -0.377 -4.301 -2.273) 4.879 2.204 ( -4.385 -1.054 3.084) 5.463 2.239 ( -3.848 -1.162 -0.702) 4.080 2.406 ( 0.771 -3.490 0.966) 3.702 2.432 ( 1.370 -3.359 -0.693) 3.693 2.478 ( -2.054 1.710 1.420) 3.026 2.546 ( -4.201 1.134 -3.186) 5.393 2.598 ( 1.642 0.995 5.750) 6.062 2.691 ( -1.662 -0.515 -0.960) 1.988 2.705 ( -1.249 -1.160 -0.356) 1.742 2.718 ( 0.887 -0.155 -0.896) 1.270 2.825 ( -0.967 -1.173 -1.677) 2.264 2.857 ( -0.223 -1.583 -4.558) 4.830 2.894 ( -1.735 1.751 0.111) 2.468 2.930 ( 0.774 0.343 -4.326) 4.408 3.300 ( -5.635 -0.964 2.634) 6.294 3.328 ( -4.097 -1.722 -0.117) 4.446 3.393 ( -3.856 0.999 1.197) 4.160 3.418 ( -2.173 2.713 -1.354) 3.731 3.477 ( -4.001 -1.369 0.765) 4.297 3.499 ( -2.558 -2.033 -0.875) 3.383 3.680 ( -10.397 1.424 1.925) 10.669 3.697 ( -6.446 1.663 0.603) 6.685 3.702 ( -8.321 1.769 -0.080) 8.507 3.730 ( -7.827 1.529 -2.273) 8.292 3.858 ( -5.359 0.376 3.501) 6.412 3.913 ( -3.458 1.028 -1.585) 3.941 4.218 ( -0.701 0.879 0.225) 1.147 4.226 ( -0.075 0.462 -0.428) 0.634 5.902 ( -1.879 -1.349 3.429) 4.136 5.972 ( -3.902 0.084 -2.675) 4.732 6.556 ( -5.470 -1.332 0.116) 5.631 6.562 ( -4.231 -0.645 -0.425) 4.301 6.821 ( -3.972 -4.026 1.156) 5.772 6.859 ( -2.978 -3.451 -2.392) 5.148 7.066 ( -4.908 0.308 1.491) 5.139 7.090 ( -5.969 0.706 -0.727) 6.054 7.295 ( -3.516 1.335 1.789) 4.165 7.340 ( -3.062 1.971 -2.207) 4.258 7.474 ( -3.946 0.031 1.489) 4.218 7.498 ( -4.806 -0.327 -0.583) 4.852 7.779 ( -0.181 1.403 0.853) 1.652 7.808 ( 0.246 0.592 -1.623) 1.745 8.084 ( 1.370 -0.171 2.507) 2.862 8.097 ( 0.776 -0.458 0.417) 0.993 8.108 ( 1.368 0.861 0.151) 1.624 8.151 ( 1.948 -0.282 -2.587) 3.251 8.310 ( 3.893 -4.070 3.410) 6.584 8.381 ( 4.564 -4.797 -2.712) 7.155 8.526 ( 3.121 -5.021 1.424) 6.081 8.563 ( 3.868 -4.754 -1.870) 6.408 9.208 ( -8.036 0.233 0.833) 8.082 9.233 ( -6.966 0.578 -1.407) 7.130 9.382 ( -5.391 -0.225 0.378) 5.409 9.390 ( -4.977 -0.276 -0.361) 4.998 9.536 ( -7.566 1.439 1.974) 7.951 9.580 ( -7.074 1.440 -1.921) 7.470 10.090 ( -0.060 0.533 0.572) 0.784 10.099 ( 0.760 0.025 -0.228) 0.794 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -12.661 1.841 3.969) 13.395 1.530 ( -9.171 2.857 2.351) 9.890 1.592 ( -5.545 0.782 1.764) 5.871 1.639 ( -10.020 4.545 -3.061) 11.420 1.814 ( -5.674 2.140 1.345) 6.212 1.903 ( -6.978 3.210 -3.829) 8.582 2.035 ( -2.814 -0.626 5.176) 5.925 2.123 ( -3.876 -2.216 -0.858) 4.546 2.149 ( 0.256 -5.675 -0.887) 5.749 2.181 ( -2.760 -6.270 -1.855) 7.097 2.375 ( -7.178 -1.618 1.924) 7.606 2.423 ( -7.253 -1.944 -0.500) 7.525 2.438 ( -0.695 -2.994 1.278) 3.329 2.486 ( 0.957 -2.193 -2.291) 3.313 2.598 ( -4.110 3.357 1.275) 5.458 2.624 ( -3.514 -0.366 2.874) 4.555 2.663 ( -2.929 2.163 -1.332) 3.877 2.749 ( 0.935 -0.377 -2.408) 2.610 2.775 ( -3.069 2.234 1.823) 4.212 2.817 ( -3.314 0.764 -1.506) 3.720 2.875 ( -1.830 -3.827 -2.632) 4.992 2.904 ( -4.041 0.050 -3.813) 5.556 3.100 ( -12.763 2.779 4.044) 13.674 3.182 ( -9.413 -0.628 -3.589) 10.094 3.227 ( -10.342 0.845 0.694) 10.400 3.248 ( -9.996 4.125 -1.673) 10.942 3.412 ( -5.786 2.219 0.667) 6.232 3.435 ( -4.793 2.142 -1.854) 5.567 3.492 ( -7.114 2.873 1.321) 7.785 3.512 ( -4.861 2.702 0.651) 5.599 3.556 ( -6.977 -0.002 4.330) 8.212 3.651 ( -2.512 -1.953 -3.478) 4.714 3.808 ( -0.715 -2.343 4.166) 4.832 3.877 ( -0.868 -1.660 -2.292) 2.961 4.221 ( 1.328 -0.095 1.009) 1.670 4.246 ( 2.101 -0.407 -1.211) 2.459 5.876 ( -1.274 -0.617 2.082) 2.517 5.912 ( -1.843 -0.943 -1.110) 2.349 6.470 ( -3.978 -1.714 1.438) 4.564 6.504 ( -2.404 -2.212 -1.441) 3.570 6.753 ( -4.658 -2.472 2.020) 5.647 6.804 ( -4.407 -2.027 -2.324) 5.379 6.935 ( -8.587 0.132 0.028) 8.589 6.938 ( -8.676 -0.000 -0.161) 8.678 7.251 ( -0.209 1.735 0.591) 1.844 7.279 ( -1.209 3.451 -1.533) 3.965 7.406 ( -2.695 0.476 0.802) 2.852 7.417 ( -2.816 1.157 -0.047) 3.044 7.763 ( -0.073 2.840 1.353) 3.146 7.804 ( 0.140 2.094 -2.184) 3.029 8.099 ( 0.475 -0.090 2.167) 2.220 8.118 ( 0.624 -0.356 -0.187) 0.743 8.140 ( 2.702 1.001 2.126) 3.581 8.204 ( 3.100 -0.442 -2.951) 4.303 8.415 ( 3.869 -4.769 4.048) 7.355 8.504 ( 4.340 -5.482 -3.644) 7.884 8.611 ( 1.836 -6.631 2.045) 7.178 8.660 ( 2.294 -6.530 -2.434) 7.337 9.025 ( -9.611 1.016 1.732) 9.818 9.072 ( -8.127 1.767 -2.551) 8.699 9.249 ( -7.670 0.488 1.388) 7.810 9.272 ( -6.677 0.062 -0.767) 6.721 9.385 ( -6.383 1.576 2.014) 6.876 9.435 ( -6.329 1.655 -2.388) 6.964 10.104 ( 1.710 -0.110 1.913) 2.569 10.141 ( 3.101 -1.195 -1.358) 3.590 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -13.731 8.047 7.168) 17.455 1.292 ( -11.615 7.066 7.094) 15.335 1.392 ( -9.810 8.848 -5.674) 14.378 1.479 ( -6.966 1.976 -5.074) 8.842 1.722 ( -3.224 1.188 1.878) 3.915 1.771 ( -3.926 3.559 -2.037) 5.677 1.926 ( -7.632 1.720 6.259) 10.018 2.044 ( -6.158 -0.009 -4.953) 7.902 2.084 ( -10.452 0.195 4.767) 11.490 2.172 ( -8.988 -1.523 -2.252) 9.390 2.217 ( -3.057 -3.829 3.963) 6.302 2.314 ( -7.451 -2.055 -3.253) 8.386 2.320 ( -6.465 3.927 3.291) 8.249 2.453 ( -4.573 0.019 -2.312) 5.124 2.467 ( -4.694 2.347 -0.879) 5.321 2.557 ( -1.711 2.803 -3.870) 5.076 2.580 ( -3.497 3.084 1.970) 5.062 2.647 ( -9.312 3.684 -4.171) 10.848 2.720 ( -1.958 -0.826 2.419) 3.220 2.770 ( -0.497 0.415 -2.424) 2.509 2.820 ( -2.823 -1.658 0.306) 3.288 2.850 ( -3.493 -1.199 -2.743) 4.601 2.907 ( -4.532 -0.499 4.268) 6.245 2.996 ( -7.621 1.563 -2.970) 8.327 3.053 ( -7.062 -0.640 0.112) 7.092 3.077 ( -6.515 0.037 -2.184) 6.872 3.209 ( -10.582 1.340 1.219) 10.736 3.252 ( -9.037 1.411 -2.463) 9.472 3.363 ( -6.060 4.263 3.488) 8.189 3.429 ( -4.073 3.281 -2.407) 5.758 3.482 ( -0.313 1.290 8.222) 8.329 3.632 ( -0.444 -1.453 -5.487) 5.693 3.827 ( 0.134 -4.504 3.360) 5.620 3.883 ( -0.292 -4.535 -2.027) 4.976 4.267 ( 2.733 -0.998 1.488) 3.268 4.303 ( 2.930 -0.797 -1.678) 3.470 5.866 ( 0.272 -0.330 3.788) 3.812 5.919 ( 1.444 -3.082 -1.054) 3.564 6.418 ( -2.122 -1.239 2.358) 3.405 6.483 ( -1.327 -2.175 -3.421) 4.265 6.660 ( -5.729 -0.348 2.207) 6.149 6.687 ( -8.425 0.559 -0.178) 8.445 6.732 ( -10.572 -0.372 0.450) 10.588 6.758 ( -9.920 -2.682 -1.397) 10.370 7.231 ( 0.523 5.615 1.280) 5.783 7.286 ( 3.088 3.947 -3.317) 6.010 7.361 ( -1.358 1.238 0.608) 1.936 7.379 ( 0.084 1.745 -1.017) 2.021 7.748 ( 0.608 4.249 1.718) 4.624 7.795 ( 0.969 4.156 -2.550) 4.971 8.115 ( 1.232 -0.138 1.554) 1.988 8.133 ( 1.013 0.170 -0.407) 1.105 8.195 ( 3.247 0.752 3.969) 5.183 8.275 ( 3.535 -0.782 -3.044) 4.730 8.498 ( 1.104 -4.439 4.254) 6.247 8.578 ( -0.838 -3.896 -2.589) 4.753 8.661 ( -1.300 -7.014 1.459) 7.281 8.711 ( -1.108 -6.022 -3.382) 6.995 8.845 ( -6.578 0.439 2.892) 7.199 8.918 ( -5.562 1.677 -4.004) 7.055 9.103 ( -5.368 1.754 2.667) 6.245 9.145 ( -5.197 0.772 -1.340) 5.422 9.265 ( -5.230 0.627 1.726) 5.542 9.314 ( -4.907 1.531 -2.690) 5.802 10.158 ( 3.277 -1.448 4.121) 5.461 10.233 ( 4.764 -3.159 -2.567) 6.266 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -9.130 13.881 11.291) 20.088 1.002 ( -12.277 10.838 12.569) 20.643 1.162 ( -7.241 10.698 -11.542) 17.323 1.279 ( -10.277 6.612 -11.612) 16.857 1.577 ( -15.906 16.486 9.380) 24.755 1.644 ( -4.163 2.572 2.210) 5.369 1.743 ( -0.837 3.208 5.523) 6.442 1.864 ( -6.766 3.912 7.860) 11.084 1.895 ( -2.499 5.116 -5.177) 7.695 2.017 ( -5.684 2.299 -2.576) 6.650 2.135 ( -3.068 1.665 0.568) 3.537 2.210 ( -4.400 3.857 -3.955) 7.062 2.266 ( -5.358 -0.941 0.223) 5.444 2.322 ( -7.616 3.934 -6.964) 11.044 2.347 ( -2.868 -0.414 3.368) 4.443 2.454 ( -0.523 -2.945 -6.249) 6.928 2.564 ( 0.878 -0.683 0.339) 1.164 2.591 ( 1.821 1.127 -2.173) 3.051 2.709 ( -0.207 -0.480 2.012) 2.079 2.731 ( -4.099 -0.695 -0.925) 4.259 2.764 ( -4.641 -0.085 -0.739) 4.700 2.777 ( -1.895 0.777 -1.365) 2.461 2.826 ( -5.943 -0.399 1.842) 6.235 2.869 ( -4.982 -1.487 -1.552) 5.426 2.958 ( -2.570 -0.038 0.488) 2.616 2.969 ( -3.424 -1.612 -0.580) 3.828 3.053 ( -5.134 -2.041 2.489) 6.060 3.128 ( -3.720 -0.920 -4.309) 5.767 3.221 ( -4.339 4.341 6.530) 8.961 3.337 ( -2.358 4.190 -4.018) 6.266 3.478 ( 0.560 2.653 8.508) 8.929 3.637 ( 0.269 0.225 -6.222) 6.232 3.856 ( 0.047 -4.960 2.942) 5.767 3.914 ( 0.366 -5.597 -2.610) 6.187 4.328 ( 2.349 -1.495 1.479) 3.153 4.360 ( 2.169 -0.931 -1.426) 2.758 5.908 ( 3.799 -2.593 8.516) 9.679 5.999 ( 3.583 -6.166 -0.871) 7.185 6.396 ( -1.001 -0.122 1.835) 2.094 6.435 ( -6.200 2.033 -1.369) 6.667 6.501 ( -5.892 0.643 -0.409) 5.941 6.508 ( -9.096 0.670 -0.842) 9.160 6.551 ( -8.678 -1.615 2.525) 9.181 6.615 ( -5.025 -3.697 -2.259) 6.635 7.212 ( 1.188 8.577 3.664) 9.402 7.305 ( 0.717 3.019 -3.230) 4.479 7.341 ( 0.190 1.853 0.988) 2.108 7.415 ( 4.198 3.233 -7.325) 9.040 7.742 ( 1.477 5.584 1.921) 6.087 7.801 ( 2.419 6.463 -3.683) 7.822 8.154 ( 2.418 -0.444 0.731) 2.565 8.164 ( 2.568 0.345 -0.094) 2.592 8.264 ( 4.216 0.332 5.904) 7.262 8.347 ( 2.707 -1.610 -2.432) 3.979 8.479 ( -4.442 -1.600 2.692) 5.435 8.520 ( -4.303 -0.321 -0.989) 4.427 8.603 ( -7.312 -3.342 1.126) 8.118 8.660 ( -5.068 -0.771 -3.728) 6.339 8.800 ( -0.969 -4.488 2.368) 5.166 8.874 ( 1.197 -2.753 -3.759) 4.811 9.033 ( -1.356 0.862 2.249) 2.764 9.068 ( -2.664 0.111 -1.207) 2.927 9.169 ( -4.069 -0.033 2.684) 4.874 9.228 ( -2.439 2.035 -2.839) 4.260 10.247 ( 3.879 -4.272 7.200) 9.227 10.353 ( 4.393 -5.603 -2.982) 7.719 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 16.395 13.668) 21.345 0.741 ( 0.000 15.213 16.808) 22.671 1.015 ( 0.000 9.628 -13.933) 16.937 1.092 ( 0.000 12.680 -16.032) 20.441 1.261 ( 0.000 26.836 22.331) 34.912 1.582 ( 0.000 1.737 -2.980) 3.449 1.726 ( 0.000 3.666 8.587) 9.337 1.793 ( -0.000 -1.206 4.974) 5.118 1.891 ( 0.000 1.533 -6.733) 6.905 1.909 ( 0.000 4.554 -3.358) 5.658 2.096 ( 0.000 4.685 -4.810) 6.715 2.119 ( 0.000 8.581 -5.825) 10.371 2.178 ( -0.000 -0.010 2.369) 2.369 2.218 ( -0.000 -1.134 -1.302) 1.727 2.357 ( -0.000 -1.772 4.424) 4.765 2.498 ( -0.000 -4.345 -7.834) 8.958 2.588 ( -0.000 -1.104 -0.160) 1.115 2.616 ( 0.000 1.271 -2.240) 2.575 2.660 ( -0.000 -1.026 1.113) 1.514 2.684 ( -0.000 -1.531 -1.044) 1.853 2.733 ( 0.000 0.272 0.413) 0.494 2.743 ( 0.000 0.822 -0.520) 0.972 2.756 ( -0.000 -1.217 3.751) 3.944 2.828 ( -0.000 -1.584 -3.573) 3.909 2.941 ( -0.000 -0.651 0.230) 0.690 2.946 ( -0.000 -0.999 -0.162) 1.012 2.997 ( 0.000 1.863 4.438) 4.813 3.084 ( 0.000 1.816 -2.732) 3.280 3.179 ( -0.000 -1.216 4.835) 4.986 3.297 ( 0.000 2.904 -5.094) 5.863 3.466 ( 0.000 3.592 9.126) 9.808 3.634 ( 0.000 1.613 -6.374) 6.575 3.883 ( -0.000 -4.563 2.951) 5.434 3.951 ( -0.000 -4.911 -3.716) 6.159 4.363 ( -0.000 -1.498 1.381) 2.037 4.391 ( -0.000 -0.997 -1.037) 1.439 6.042 ( -0.000 -12.973 11.287) 17.196 6.096 ( -0.000 -8.763 1.504) 8.891 6.304 ( 0.000 3.944 0.313) 3.957 6.311 ( 0.000 3.848 -0.322) 3.862 6.425 ( -0.000 -1.792 6.839) 7.070 6.443 ( 0.000 2.726 0.090) 2.728 6.445 ( 0.000 2.763 -0.081) 2.764 6.598 ( -0.000 -5.695 -6.393) 8.562 7.171 ( 0.000 10.271 5.138) 11.484 7.295 ( 0.000 3.093 -4.073) 5.115 7.337 ( 0.000 1.052 1.212) 1.605 7.448 ( 0.000 4.600 -11.745) 12.614 7.728 ( 0.000 6.530 1.199) 6.639 7.792 ( 0.000 8.110 -4.941) 9.497 8.193 ( -0.000 -0.506 0.675) 0.844 8.207 ( 0.000 0.065 -0.584) 0.587 8.363 ( -0.000 -1.829 0.386) 1.869 8.372 ( -0.000 -1.788 -0.445) 1.843 8.430 ( -0.000 -1.248 7.963) 8.060 8.464 ( 0.000 0.484 0.616) 0.783 8.478 ( 0.000 0.590 -0.587) 0.832 8.575 ( 0.000 1.977 -6.816) 7.097 8.833 ( -0.000 -6.684 5.249) 8.498 8.921 ( -0.000 -4.475 -2.754) 5.255 9.016 ( 0.000 0.005 0.794) 0.794 9.034 ( 0.000 0.071 -0.765) 0.768 9.123 ( 0.000 0.385 4.228) 4.246 9.193 ( 0.000 2.787 -2.864) 3.996 10.338 ( -0.000 -8.946 8.944) 12.650 10.441 ( -0.000 -6.870 -2.195) 7.212 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.362 -0.000 2.401) 2.428 1.763 ( 0.960 -0.000 -2.011) 2.229 2.143 ( -5.177 0.000 1.312) 5.340 2.147 ( 2.326 -0.000 2.803) 3.643 2.170 ( -2.423 0.000 0.524) 2.479 2.175 ( -5.346 0.000 -1.358) 5.516 2.199 ( 0.728 -0.000 1.365) 1.547 2.237 ( -2.499 0.000 -1.728) 3.038 2.288 ( 3.493 -0.000 0.367) 3.512 2.314 ( 3.165 -0.000 -2.042) 3.766 2.371 ( 0.584 -0.000 6.050) 6.078 2.402 ( -2.049 0.000 3.655) 4.190 2.480 ( -3.788 0.000 0.688) 3.850 2.551 ( 1.020 -0.000 -2.645) 2.835 2.655 ( -0.548 0.000 -1.576) 1.669 2.679 ( 0.844 -0.000 -1.125) 1.406 2.718 ( 0.220 -0.000 0.147) 0.264 2.756 ( -0.775 0.000 -3.931) 4.007 2.789 ( -0.085 0.000 1.241) 1.244 2.844 ( 1.972 -0.000 -3.430) 3.956 2.876 ( 0.464 -0.000 0.064) 0.468 2.902 ( -0.933 0.000 -2.691) 2.848 3.291 ( -1.010 0.000 0.758) 1.263 3.310 ( -1.270 0.000 -0.951) 1.587 3.474 ( -3.504 0.000 0.574) 3.551 3.487 ( -4.429 0.000 -0.554) 4.463 3.507 ( 2.855 -0.000 2.685) 3.919 3.546 ( 0.581 -0.000 -0.836) 1.018 3.797 ( 2.665 -0.000 0.755) 2.770 3.811 ( 1.992 -0.000 -0.500) 2.054 4.052 ( 3.361 -0.000 0.176) 3.365 4.063 ( 4.113 -0.000 -0.872) 4.205 4.113 ( 3.215 -0.000 1.003) 3.368 4.117 ( 2.951 -0.000 0.810) 3.060 4.211 ( 2.278 -0.000 0.064) 2.279 4.214 ( 2.717 -0.000 -0.195) 2.724 6.006 ( -0.915 0.000 3.587) 3.702 6.093 ( 1.395 -0.000 -4.139) 4.368 6.663 ( 3.468 -0.000 3.124) 4.668 6.724 ( 2.462 -0.000 -2.386) 3.429 7.029 ( -5.232 0.000 0.337) 5.243 7.040 ( -5.221 0.000 -0.665) 5.263 7.165 ( 2.063 -0.000 1.979) 2.859 7.204 ( 2.371 -0.000 -1.580) 2.850 7.459 ( 4.713 -0.000 -0.167) 4.716 7.461 ( 4.567 -0.000 -0.244) 4.574 7.620 ( 2.050 -0.000 2.309) 3.088 7.676 ( 1.110 -0.000 -2.771) 2.985 7.790 ( -0.336 0.000 0.801) 0.868 7.798 ( -0.704 0.000 -0.116) 0.713 8.025 ( -0.745 0.000 1.957) 2.094 8.066 ( -1.623 0.000 -1.464) 2.186 8.114 ( -0.445 0.000 -0.060) 0.449 8.133 ( -2.032 0.000 -1.733) 2.671 8.261 ( -1.100 0.000 1.664) 1.995 8.269 ( -4.434 0.000 0.751) 4.497 8.444 ( -5.058 0.000 -0.303) 5.067 8.447 ( -5.176 0.000 -0.676) 5.220 9.404 ( 1.337 -0.000 0.045) 1.338 9.409 ( 1.188 -0.000 -0.425) 1.262 9.508 ( 0.778 -0.000 0.085) 0.783 9.509 ( 0.646 -0.000 -0.052) 0.648 9.754 ( 2.936 -0.000 0.170) 2.941 9.760 ( 3.329 -0.000 -0.342) 3.347 10.104 ( 1.044 -0.000 0.208) 1.064 10.105 ( 1.225 -0.000 0.142) 1.233 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.928 -0.025 2.810) 2.959 1.768 ( -0.569 0.033 -2.506) 2.570 2.032 ( -5.510 1.392 0.725) 5.729 2.046 ( -6.443 -0.603 -0.515) 6.492 2.088 ( -4.719 -0.981 0.658) 4.865 2.104 ( -4.394 -0.579 -0.957) 4.534 2.221 ( -1.849 -0.016 3.870) 4.289 2.232 ( 1.186 -0.493 1.478) 1.958 2.299 ( -1.700 0.048 0.511) 1.776 2.313 ( -0.222 -0.220 -1.296) 1.333 2.363 ( -2.421 -0.129 3.434) 4.203 2.414 ( -2.300 -0.794 -0.951) 2.613 2.442 ( 3.512 0.041 5.726) 6.717 2.562 ( 0.245 -0.088 1.738) 1.757 2.662 ( 1.205 1.045 -5.487) 5.714 2.692 ( 0.627 0.405 -1.656) 1.816 2.713 ( -0.870 -0.194 -0.114) 0.898 2.735 ( -1.296 -1.308 -3.235) 3.722 2.765 ( -1.681 -0.543 0.506) 1.838 2.838 ( -0.748 -0.012 -7.419) 7.457 2.912 ( 2.186 0.781 0.938) 2.503 2.932 ( 2.080 0.744 -0.912) 2.390 3.302 ( 2.016 -0.049 0.020) 2.017 3.304 ( 0.673 -0.069 -0.179) 0.700 3.416 ( -2.429 -0.630 1.288) 2.821 3.431 ( -0.987 -0.340 -0.293) 1.084 3.529 ( -1.892 0.167 1.972) 2.737 3.550 ( 0.883 0.077 -0.169) 0.902 3.833 ( 0.857 0.314 0.201) 0.934 3.834 ( 0.240 0.297 0.065) 0.387 4.030 ( -4.519 -0.139 1.238) 4.688 4.057 ( -3.633 -0.040 -1.305) 3.861 4.112 ( -3.032 -0.003 1.014) 3.197 4.122 ( -2.275 -0.050 -0.040) 2.276 4.258 ( 1.291 0.225 0.057) 1.311 4.261 ( 1.198 0.232 -0.174) 1.232 5.971 ( -2.377 -0.206 5.318) 5.829 6.095 ( -1.190 -0.024 -5.605) 5.730 6.712 ( 0.744 0.265 1.659) 1.837 6.745 ( -0.992 0.086 -1.282) 1.623 6.910 ( -5.949 -0.568 0.504) 5.997 6.923 ( -5.669 -0.658 -0.640) 5.743 7.182 ( -0.575 -0.075 2.209) 2.284 7.228 ( -0.266 0.027 -1.832) 1.851 7.490 ( -1.641 0.673 0.020) 1.774 7.496 ( -0.997 0.551 -0.624) 1.299 7.619 ( -2.180 -0.265 1.947) 2.935 7.656 ( -2.947 -0.334 -1.365) 3.265 7.784 ( 0.046 0.024 0.176) 0.184 7.791 ( 0.061 -0.099 -0.409) 0.425 8.028 ( 1.107 -0.307 1.689) 2.043 8.058 ( 1.130 -0.088 -0.400) 1.202 8.090 ( -1.299 0.495 -1.446) 2.005 8.098 ( -0.902 0.104 -1.602) 1.842 8.218 ( -1.388 -0.278 2.993) 3.311 8.251 ( -0.468 -0.361 -0.018) 0.591 8.384 ( -0.702 -0.486 0.149) 0.867 8.397 ( 0.214 -0.408 -1.201) 1.286 9.401 ( -1.494 -0.008 -0.148) 1.502 9.403 ( -1.778 -0.016 -0.259) 1.797 9.505 ( -1.147 -0.014 0.086) 1.150 9.506 ( -1.005 0.011 -0.042) 1.006 9.763 ( -1.868 0.089 0.787) 2.029 9.783 ( -1.038 0.072 -0.931) 1.396 10.113 ( -0.210 0.043 0.550) 0.591 10.121 ( 0.222 0.084 -0.190) 0.304 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.092 -0.138 2.946) 3.616 1.740 ( -2.233 0.055 -2.519) 3.367 1.905 ( -7.282 -2.435 2.137) 7.970 1.948 ( -4.475 -1.719 -1.372) 4.987 2.007 ( -3.808 -1.011 0.878) 4.037 2.032 ( -2.908 -1.409 -1.383) 3.515 2.130 ( -6.193 -0.034 4.888) 7.890 2.198 ( -5.512 -0.543 -0.890) 5.610 2.278 ( -1.648 -0.002 3.187) 3.588 2.295 ( -1.753 1.328 1.279) 2.544 2.344 ( 0.800 -1.978 -0.542) 2.201 2.374 ( -1.593 -1.884 -1.635) 2.960 2.505 ( 2.575 1.198 4.132) 5.014 2.573 ( 0.775 -0.127 4.014) 4.090 2.646 ( -1.960 3.090 -3.987) 5.412 2.691 ( -0.526 -0.316 -1.317) 1.453 2.708 ( -0.144 -0.009 0.336) 0.366 2.725 ( -0.603 -1.042 -1.877) 2.230 2.751 ( -0.171 -3.723 -1.531) 4.029 2.844 ( 1.081 -0.249 -9.913) 9.975 2.934 ( 0.693 1.448 0.431) 1.662 2.947 ( 0.012 1.264 -0.717) 1.454 3.327 ( 1.078 0.095 1.064) 1.517 3.350 ( 1.450 0.438 -0.633) 1.642 3.396 ( -0.192 -1.537 2.238) 2.722 3.430 ( 0.052 -1.175 -0.663) 1.350 3.483 ( -2.031 -0.595 3.167) 3.809 3.540 ( -1.903 0.034 -2.016) 2.773 3.809 ( -2.771 0.833 0.672) 2.971 3.818 ( -2.390 0.907 -0.141) 2.561 3.895 ( -8.950 -0.371 2.215) 9.227 3.939 ( -8.081 0.258 -1.861) 8.297 4.005 ( -7.053 0.310 1.651) 7.250 4.034 ( -5.828 0.572 -0.893) 5.923 4.254 ( -1.017 0.674 0.014) 1.220 4.257 ( -1.045 0.690 -0.173) 1.264 5.924 ( -2.373 -0.729 5.638) 6.160 6.049 ( -3.244 0.067 -5.321) 6.232 6.661 ( -5.087 0.412 0.036) 5.104 6.666 ( -6.242 -0.050 -0.305) 6.250 6.831 ( -3.123 -2.177 0.825) 3.895 6.856 ( -2.071 -1.989 -1.524) 3.251 7.145 ( -2.980 -0.037 2.550) 3.922 7.191 ( -3.250 0.313 -1.648) 3.657 7.411 ( -4.827 1.431 0.801) 5.098 7.436 ( -3.764 1.083 -1.550) 4.212 7.552 ( -4.371 -0.657 1.920) 4.819 7.580 ( -4.749 -0.982 -0.643) 4.892 7.789 ( 0.446 0.356 0.074) 0.576 7.800 ( 0.737 -0.031 -0.839) 1.117 8.057 ( 1.166 -0.237 1.209) 1.696 8.074 ( 0.368 -0.066 -0.183) 0.417 8.100 ( 2.145 1.218 -0.649) 2.550 8.111 ( 2.133 -0.057 -1.568) 2.648 8.208 ( 0.281 -1.911 3.426) 3.933 8.259 ( 1.148 -1.980 -1.122) 2.549 8.412 ( 2.231 -1.872 0.909) 3.051 8.440 ( 2.980 -1.510 -1.713) 3.754 9.337 ( -4.844 -0.026 0.168) 4.847 9.346 ( -4.097 -0.011 -0.621) 4.144 9.463 ( -3.098 -0.069 0.155) 3.102 9.466 ( -2.981 0.006 -0.148) 2.985 9.685 ( -5.608 0.349 1.499) 5.816 9.720 ( -4.968 0.416 -1.585) 5.231 10.101 ( -0.634 0.168 0.721) 0.974 10.113 ( -0.752 0.330 -0.334) 0.887 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -3.618 -0.220 2.509) 4.409 1.675 ( -4.355 0.036 -1.908) 4.755 1.761 ( -8.068 -0.079 3.847) 8.939 1.852 ( -6.256 0.374 -3.822) 7.341 1.966 ( -2.487 -2.742 3.851) 5.342 1.994 ( -5.053 -0.944 1.769) 5.436 2.021 ( -1.126 -3.729 -0.977) 4.016 2.072 ( -6.389 -0.534 -1.649) 6.620 2.198 ( -4.492 -0.028 3.791) 5.878 2.245 ( -3.719 1.982 -0.853) 4.300 2.367 ( 0.325 -3.356 0.566) 3.419 2.392 ( 0.743 -3.489 -0.691) 3.633 2.502 ( -2.426 2.440 1.564) 3.779 2.559 ( -5.495 1.167 -2.100) 5.997 2.597 ( 1.115 -1.358 5.388) 5.667 2.683 ( -1.608 0.240 -0.111) 1.630 2.695 ( -0.066 -0.931 -1.311) 1.609 2.726 ( 0.913 0.933 -0.497) 1.396 2.786 ( 0.591 -4.311 -2.682) 5.112 2.857 ( -0.334 0.671 -6.935) 6.975 2.916 ( -2.342 1.800 -0.242) 2.964 2.935 ( 0.101 0.401 -3.241) 3.268 3.287 ( -6.993 -1.148 2.434) 7.493 3.307 ( -5.470 -1.902 0.196) 5.795 3.398 ( -1.115 0.004 2.887) 3.095 3.443 ( -0.053 1.652 -1.525) 2.249 3.471 ( -2.484 -0.039 -0.289) 2.501 3.481 ( -1.687 -0.906 -0.897) 2.115 3.691 ( -9.389 0.684 2.433) 9.723 3.710 ( -7.560 0.549 0.501) 7.596 3.719 ( -7.183 1.352 0.263) 7.314 3.751 ( -9.019 1.819 -2.198) 9.459 3.862 ( -6.155 0.244 3.403) 7.037 3.922 ( -4.359 0.546 -2.008) 4.830 4.227 ( -1.107 0.633 0.070) 1.277 4.231 ( -0.582 0.372 -0.245) 0.733 5.889 ( -1.580 -0.900 4.052) 4.442 5.973 ( -4.081 0.103 -3.269) 5.231 6.541 ( -6.054 -1.274 0.392) 6.199 6.553 ( -5.235 -0.922 -0.652) 5.355 6.784 ( -3.194 -2.472 1.393) 4.272 6.829 ( -2.092 -1.849 -2.851) 3.990 7.069 ( -4.764 0.185 1.822) 5.103 7.097 ( -6.049 0.489 -0.808) 6.123 7.310 ( -3.817 1.339 1.811) 4.432 7.358 ( -2.967 1.321 -2.567) 4.139 7.471 ( -3.693 -0.412 1.618) 4.053 7.491 ( -4.335 -0.780 -0.221) 4.411 7.795 ( 0.512 1.257 0.409) 1.417 7.815 ( 0.844 0.583 -1.312) 1.665 8.080 ( 1.060 -0.365 1.244) 1.674 8.092 ( 0.946 -0.461 0.040) 1.053 8.127 ( 1.896 2.468 0.725) 3.195 8.153 ( 2.305 0.706 -1.654) 2.923 8.264 ( 3.257 -4.070 3.191) 6.112 8.328 ( 3.738 -4.479 -2.193) 6.232 8.476 ( 2.478 -3.617 1.487) 4.630 8.518 ( 3.233 -3.130 -2.238) 5.026 9.210 ( -7.776 0.170 0.958) 7.837 9.239 ( -6.541 0.387 -1.569) 6.737 9.380 ( -5.326 -0.058 0.341) 5.337 9.388 ( -4.965 -0.110 -0.335) 4.977 9.549 ( -7.314 0.861 1.993) 7.629 9.593 ( -7.059 0.780 -1.861) 7.342 10.095 ( -0.001 0.295 0.379) 0.481 10.099 ( 0.137 0.069 -0.044) 0.160 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -8.527 2.513 2.355) 9.196 1.559 ( -7.113 1.729 -0.837) 7.368 1.608 ( -5.206 3.035 3.993) 7.229 1.697 ( -7.521 5.230 -3.836) 9.931 1.846 ( -5.300 3.574 4.218) 7.659 1.933 ( -5.297 1.901 -1.871) 5.931 2.001 ( -0.729 -5.982 2.351) 6.469 2.076 ( 1.594 -7.269 -2.770) 7.940 2.110 ( -4.942 1.008 1.622) 5.298 2.147 ( -4.353 -0.024 -0.743) 4.416 2.353 ( -8.127 -2.445 2.452) 8.834 2.383 ( -3.886 -3.831 3.028) 6.241 2.420 ( -5.869 -1.132 -2.163) 6.357 2.457 ( 0.403 -2.999 -3.330) 4.499 2.604 ( -3.482 -1.339 3.023) 4.801 2.645 ( 0.341 3.587 3.101) 4.754 2.684 ( -1.569 1.244 -2.716) 3.375 2.748 ( 1.007 0.244 -1.559) 1.872 2.798 ( -1.783 1.037 0.114) 2.065 2.823 ( -3.164 -0.182 -2.812) 4.237 2.839 ( -3.219 -1.225 -0.256) 3.454 2.906 ( -4.090 0.158 -5.333) 6.723 3.103 ( -11.358 -1.500 2.864) 11.809 3.154 ( -9.463 -3.218 -2.162) 10.226 3.266 ( -9.852 5.230 2.238) 11.377 3.315 ( -8.670 6.311 -2.406) 10.990 3.432 ( -3.396 1.235 0.532) 3.652 3.457 ( -3.347 1.611 -1.732) 4.098 3.517 ( -8.510 1.620 1.378) 8.772 3.537 ( -6.475 1.662 0.469) 6.701 3.556 ( -7.056 0.102 2.911) 7.634 3.628 ( -3.192 -2.084 -2.774) 4.714 3.783 ( -2.338 -2.036 4.704) 5.633 3.859 ( -2.418 -1.370 -2.492) 3.733 4.220 ( 0.756 -0.084 0.866) 1.153 4.241 ( 1.735 -0.367 -1.043) 2.057 5.870 ( -0.797 -0.427 1.727) 1.949 5.903 ( -2.659 -0.694 -1.164) 2.985 6.450 ( -3.923 -1.790 1.451) 4.550 6.478 ( -3.087 -2.296 -0.929) 3.958 6.729 ( -3.532 -1.678 2.087) 4.432 6.787 ( -3.270 -1.035 -2.922) 4.506 6.939 ( -8.338 0.492 0.204) 8.355 6.942 ( -9.107 0.512 -0.080) 9.122 7.265 ( -0.065 0.813 1.207) 1.457 7.309 ( -0.955 1.897 -2.589) 3.349 7.413 ( -2.171 0.604 1.522) 2.719 7.428 ( -1.768 0.773 0.076) 1.931 7.796 ( 0.769 2.742 0.860) 2.975 7.827 ( 1.008 1.822 -1.793) 2.748 8.097 ( 0.520 -0.310 1.460) 1.580 8.113 ( 0.927 -0.408 -0.262) 1.047 8.159 ( 2.782 2.356 1.885) 4.104 8.203 ( 3.043 0.357 -1.970) 3.643 8.362 ( 3.732 -4.715 3.803) 7.115 8.442 ( 4.332 -5.545 -2.868) 7.599 8.543 ( 1.441 -5.293 1.800) 5.774 8.595 ( 2.048 -4.770 -2.986) 5.988 9.035 ( -9.250 0.761 2.002) 9.495 9.089 ( -7.663 1.296 -2.944) 8.311 9.253 ( -7.103 0.286 1.141) 7.200 9.273 ( -6.386 0.036 -0.684) 6.423 9.401 ( -6.728 1.208 2.159) 7.168 9.449 ( -6.566 0.879 -2.116) 6.954 10.103 ( 1.217 -0.048 1.342) 1.813 10.128 ( 2.321 -0.974 -0.904) 2.675 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -9.907 9.319 5.204) 14.563 1.373 ( -8.814 7.265 1.282) 11.494 1.496 ( -6.240 5.926 -0.647) 8.630 1.507 ( -6.601 6.611 -3.909) 10.127 1.744 ( -3.237 2.883 3.658) 5.672 1.814 ( -4.798 3.996 -2.164) 6.608 1.957 ( -8.162 3.014 3.536) 9.392 2.006 ( -3.654 -4.976 0.645) 6.207 2.089 ( -2.487 -0.175 -0.346) 2.517 2.142 ( -2.018 -3.537 -2.626) 4.846 2.173 ( -6.039 -3.475 2.801) 7.510 2.258 ( -5.484 -4.890 -3.020) 7.944 2.375 ( -6.099 0.695 2.932) 6.803 2.459 ( -4.522 2.755 0.800) 5.355 2.478 ( -3.263 0.478 0.584) 3.349 2.604 ( -5.013 3.671 -2.670) 6.763 2.619 ( -2.489 4.279 0.270) 4.958 2.680 ( -7.658 1.495 -3.789) 8.674 2.716 ( -2.978 0.660 2.150) 3.732 2.773 ( -0.815 0.097 -2.468) 2.601 2.806 ( -2.842 -1.067 -0.261) 3.047 2.830 ( -1.709 -2.161 -2.324) 3.604 2.912 ( -6.148 1.225 4.672) 7.818 3.009 ( -6.836 0.263 -3.720) 7.787 3.060 ( -7.373 2.412 1.076) 7.832 3.101 ( -8.556 4.711 -3.400) 10.342 3.223 ( -12.625 1.054 1.296) 12.735 3.262 ( -11.012 0.537 -2.073) 11.218 3.409 ( -4.727 3.659 2.330) 6.415 3.454 ( -3.607 0.682 -1.091) 3.829 3.491 ( -0.123 0.414 5.466) 5.483 3.606 ( -0.874 -3.177 -4.317) 5.431 3.778 ( -0.309 -3.975 3.782) 5.496 3.835 ( -1.373 -3.763 -1.863) 4.417 4.256 ( 2.278 -1.013 1.606) 2.966 4.294 ( 2.796 -0.804 -1.739) 3.390 5.862 ( 0.062 -0.298 1.554) 1.584 5.888 ( 0.203 -2.398 -0.435) 2.446 6.402 ( -1.805 -1.390 2.416) 3.321 6.454 ( -0.967 -2.837 -1.937) 3.569 6.657 ( -4.437 -0.132 2.232) 4.968 6.695 ( -6.901 0.777 -0.757) 6.986 6.737 ( -10.393 0.775 -0.075) 10.422 6.745 ( -10.306 -0.028 -0.707) 10.330 7.271 ( 0.665 1.806 -0.159) 1.931 7.314 ( 1.917 0.883 -3.643) 4.210 7.385 ( 0.655 3.239 2.110) 3.921 7.410 ( 1.191 3.258 -0.200) 3.474 7.796 ( 1.252 4.137 1.445) 4.558 7.839 ( 1.874 3.411 -2.377) 4.560 8.113 ( 1.159 -0.206 1.314) 1.764 8.134 ( 1.211 0.065 -0.776) 1.440 8.209 ( 3.220 1.677 3.405) 4.977 8.267 ( 3.208 -0.522 -2.042) 3.839 8.448 ( 1.827 -4.381 4.618) 6.623 8.533 ( 0.852 -4.232 -2.374) 4.926 8.584 ( -0.744 -6.269 1.566) 6.505 8.646 ( 0.300 -5.200 -4.385) 6.809 8.854 ( -7.618 0.990 3.186) 8.316 8.937 ( -6.266 1.670 -4.619) 7.962 9.118 ( -5.439 0.966 2.210) 5.950 9.151 ( -5.258 0.340 -1.048) 5.373 9.272 ( -5.724 0.646 2.400) 6.241 9.328 ( -5.004 0.927 -2.566) 5.700 10.144 ( 2.476 -1.109 2.965) 4.019 10.199 ( 3.616 -2.716 -1.957) 4.927 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -6.371 14.520 8.992) 18.229 1.129 ( -10.131 11.384 7.285) 16.891 1.289 ( -7.358 11.393 -8.069) 15.781 1.348 ( -6.979 5.879 -9.629) 13.266 1.665 ( -3.532 3.585 4.109) 6.497 1.697 ( -4.952 3.035 0.527) 5.832 1.803 ( -2.493 6.404 6.616) 9.539 1.921 ( -3.278 3.503 -1.676) 5.082 1.989 ( -4.448 12.381 4.154) 13.796 2.052 ( -3.711 3.304 0.427) 4.987 2.148 ( -3.374 0.893 4.228) 5.483 2.204 ( -1.804 -2.602 -1.216) 3.392 2.252 ( -3.392 -2.229 -0.501) 4.090 2.318 ( -7.393 -0.672 1.157) 7.513 2.424 ( -0.533 3.695 -8.223) 9.031 2.437 ( -6.919 5.112 -4.221) 9.583 2.563 ( 0.331 0.544 1.259) 1.411 2.610 ( 1.451 2.168 -3.462) 4.334 2.700 ( -1.057 -0.980 1.526) 2.100 2.730 ( -3.426 0.696 -2.017) 4.036 2.765 ( -3.200 0.225 0.242) 3.217 2.785 ( -1.495 0.816 -1.559) 2.309 2.828 ( -5.189 0.722 1.179) 5.370 2.861 ( -6.417 0.423 -0.988) 6.506 2.950 ( -3.831 -1.350 -0.177) 4.066 2.953 ( -3.048 -1.105 -0.512) 3.283 3.027 ( -6.158 -2.455 2.971) 7.265 3.105 ( -5.356 -2.607 -3.898) 7.118 3.285 ( -4.106 6.103 5.508) 9.189 3.379 ( -2.487 2.755 -2.537) 4.495 3.497 ( 0.624 0.707 5.787) 5.863 3.621 ( 0.163 -3.480 -5.444) 6.463 3.802 ( 0.118 -4.282 2.898) 5.172 3.848 ( -0.077 -5.628 -1.816) 5.914 4.309 ( 2.016 -1.757 1.775) 3.209 4.349 ( 2.020 -1.036 -1.750) 2.866 5.884 ( 1.692 -1.641 4.342) 4.940 5.932 ( 1.854 -5.337 -0.190) 5.654 6.391 ( -0.103 -0.664 2.758) 2.839 6.451 ( -2.027 0.346 -2.451) 3.200 6.506 ( -8.549 1.313 0.522) 8.665 6.518 ( -8.137 1.139 -0.435) 8.228 6.560 ( -5.247 1.888 1.524) 5.781 6.594 ( -5.719 -0.107 -0.860) 5.784 7.274 ( 0.750 2.346 0.819) 2.595 7.325 ( -0.177 0.592 -2.759) 2.827 7.385 ( 1.526 6.333 2.285) 6.903 7.457 ( 4.562 4.084 -4.818) 7.791 7.801 ( 1.807 4.914 2.235) 5.693 7.867 ( 3.197 4.984 -4.112) 7.209 8.149 ( 2.263 -0.409 0.936) 2.483 8.168 ( 2.384 0.209 -0.690) 2.491 8.269 ( 3.666 0.646 4.740) 6.027 8.328 ( 1.888 -1.744 -1.544) 2.998 8.459 ( -2.708 -1.930 4.239) 5.388 8.514 ( -2.843 -0.741 -0.948) 3.088 8.560 ( -5.165 -4.070 1.767) 6.809 8.645 ( -2.998 -1.827 -5.092) 6.185 8.764 ( -1.757 -2.045 2.647) 3.778 8.853 ( -0.993 -1.018 -5.242) 5.431 9.040 ( -2.151 0.468 1.856) 2.879 9.069 ( -2.979 0.051 -0.998) 3.142 9.169 ( -4.083 0.096 4.050) 5.752 9.246 ( -2.424 1.171 -3.077) 4.088 10.206 ( 2.440 -2.920 5.157) 6.409 10.292 ( 3.185 -5.051 -2.698) 6.552 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 16.146 9.906) 18.942 0.911 ( 0.000 14.950 13.922) 20.429 1.132 ( 0.000 10.561 -11.081) 15.308 1.223 ( 0.000 10.363 -15.257) 18.443 1.545 ( 0.000 19.414 9.376) 21.560 1.627 ( 0.000 5.387 1.590) 5.616 1.774 ( 0.000 4.808 7.108) 8.582 1.814 ( 0.000 8.358 10.799) 13.656 1.911 ( 0.000 1.974 -5.457) 5.803 1.978 ( 0.000 7.249 -1.718) 7.450 2.118 ( 0.000 1.278 0.628) 1.424 2.178 ( -0.000 -0.121 1.408) 1.413 2.201 ( -0.000 -1.762 -0.782) 1.928 2.228 ( 0.000 6.196 -6.909) 9.280 2.352 ( 0.000 2.819 -0.884) 2.955 2.451 ( -0.000 -3.466 -8.283) 8.979 2.583 ( 0.000 0.550 0.876) 1.035 2.642 ( 0.000 3.504 -4.772) 5.920 2.644 ( -0.000 -1.733 0.917) 1.961 2.664 ( -0.000 -2.019 -0.844) 2.188 2.737 ( 0.000 0.416 0.742) 0.851 2.751 ( 0.000 0.241 3.699) 3.707 2.754 ( 0.000 1.079 -0.792) 1.338 2.813 ( -0.000 -1.182 -2.439) 2.711 2.933 ( -0.000 -0.866 0.032) 0.866 2.933 ( -0.000 -1.043 0.000) 1.043 2.985 ( -0.000 -3.240 3.520) 4.784 3.073 ( -0.000 -4.067 -4.547) 6.100 3.207 ( 0.000 5.843 7.447) 9.465 3.336 ( 0.000 3.582 -4.158) 5.488 3.498 ( 0.000 1.740 7.269) 7.474 3.638 ( -0.000 -1.434 -5.894) 6.066 3.828 ( -0.000 -4.825 2.840) 5.599 3.885 ( -0.000 -6.368 -2.889) 6.993 4.343 ( -0.000 -2.039 1.648) 2.622 4.378 ( -0.000 -1.248 -1.432) 1.899 5.938 ( -0.000 -6.060 7.920) 9.973 5.999 ( -0.000 -8.133 0.628) 8.157 6.354 ( 0.000 4.817 0.260) 4.824 6.360 ( 0.000 4.694 -0.266) 4.702 6.410 ( -0.000 -1.147 5.119) 5.246 6.478 ( 0.000 3.354 0.110) 3.356 6.480 ( 0.000 3.402 -0.104) 3.403 6.542 ( -0.000 -4.400 -4.810) 6.519 7.264 ( 0.000 4.941 2.018) 5.338 7.317 ( 0.000 1.288 -2.007) 2.385 7.368 ( 0.000 5.136 2.594) 5.754 7.488 ( 0.000 3.452 -8.465) 9.141 7.796 ( 0.000 5.443 1.980) 5.792 7.878 ( 0.000 6.553 -6.573) 9.282 8.187 ( -0.000 -0.612 0.954) 1.133 8.207 ( -0.000 -0.155 -0.832) 0.847 8.340 ( -0.000 -2.122 0.414) 2.162 8.350 ( -0.000 -2.057 -0.468) 2.109 8.418 ( -0.000 -0.856 10.114) 10.150 8.469 ( 0.000 0.375 0.667) 0.765 8.484 ( 0.000 0.491 -0.646) 0.812 8.595 ( 0.000 1.423 -7.480) 7.614 8.771 ( -0.000 -4.264 4.528) 6.219 8.874 ( -0.000 -3.745 -4.574) 5.911 9.016 ( 0.000 0.007 0.832) 0.832 9.035 ( 0.000 0.086 -0.799) 0.804 9.126 ( 0.000 0.201 5.707) 5.711 9.217 ( 0.000 1.472 -3.253) 3.571 10.259 ( -0.000 -5.245 7.127) 8.849 10.363 ( -0.000 -6.712 -2.795) 7.270 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.106 0.000 2.995) 3.661 1.740 ( -2.245 0.000 -2.570) 3.412 1.891 ( -7.372 0.000 2.319) 7.728 1.939 ( -4.706 0.000 -1.509) 4.942 2.001 ( -3.815 0.000 0.531) 3.852 2.024 ( -3.343 0.000 -1.354) 3.607 2.130 ( -5.964 0.000 5.034) 7.805 2.195 ( -5.556 0.000 -0.561) 5.584 2.279 ( -1.530 0.000 3.726) 4.028 2.306 ( -1.220 0.000 1.972) 2.319 2.329 ( 0.448 -0.000 -1.823) 1.877 2.363 ( -1.983 0.000 -1.706) 2.615 2.512 ( 3.088 -0.000 4.461) 5.425 2.572 ( 0.479 -0.000 3.952) 3.981 2.671 ( -3.217 0.000 -1.062) 3.387 2.693 ( -0.401 0.000 -8.451) 8.461 2.704 ( 0.223 -0.000 1.161) 1.182 2.710 ( 0.948 -0.000 -0.324) 1.002 2.732 ( -1.215 0.000 0.613) 1.361 2.842 ( 1.172 -0.000 -10.965) 11.028 2.943 ( 0.486 -0.000 0.537) 0.724 2.954 ( -0.044 0.000 -0.644) 0.645 3.328 ( 1.076 -0.000 1.204) 1.615 3.354 ( 1.588 -0.000 -0.849) 1.801 3.385 ( -0.482 0.000 2.607) 2.651 3.423 ( 0.287 -0.000 -0.792) 0.843 3.480 ( -2.240 0.000 3.345) 4.026 3.540 ( -1.971 0.000 -2.212) 2.963 3.813 ( -2.753 0.000 0.764) 2.857 3.823 ( -2.406 0.000 -0.125) 2.409 3.892 ( -8.836 0.000 2.392) 9.154 3.940 ( -7.787 0.000 -1.980) 8.035 4.007 ( -6.971 0.000 1.667) 7.168 4.037 ( -5.714 0.000 -0.999) 5.800 4.258 ( -1.054 0.000 0.018) 1.054 4.260 ( -1.056 0.000 -0.175) 1.071 5.920 ( -2.400 0.000 5.837) 6.311 6.050 ( -3.208 0.000 -5.520) 6.385 6.664 ( -5.460 0.000 -0.060) 5.460 6.665 ( -6.572 0.000 -0.179) 6.575 6.819 ( -3.050 0.000 0.854) 3.168 6.845 ( -1.859 0.000 -1.609) 2.459 7.144 ( -2.978 0.000 2.666) 3.997 7.193 ( -3.229 0.000 -1.721) 3.659 7.420 ( -4.792 0.000 0.661) 4.837 7.442 ( -3.790 0.000 -1.486) 4.070 7.547 ( -4.406 0.000 1.923) 4.808 7.573 ( -4.793 0.000 -0.533) 4.823 7.791 ( 0.574 -0.000 -0.017) 0.574 7.800 ( 0.836 -0.000 -0.751) 1.124 8.056 ( 1.348 -0.000 1.114) 1.749 8.073 ( 0.042 -0.000 -0.502) 0.504 8.107 ( 3.058 -0.000 -0.948) 3.202 8.113 ( 2.235 -0.000 -1.329) 2.601 8.195 ( -0.515 0.000 3.725) 3.761 8.247 ( 0.555 -0.000 -0.952) 1.101 8.401 ( 2.011 -0.000 0.991) 2.242 8.432 ( 2.789 -0.000 -1.836) 3.339 9.337 ( -4.830 0.000 0.171) 4.833 9.346 ( -4.054 0.000 -0.626) 4.103 9.463 ( -3.097 0.000 0.178) 3.102 9.467 ( -2.995 0.000 -0.167) 3.000 9.687 ( -5.555 0.000 1.515) 5.758 9.722 ( -4.916 0.000 -1.602) 5.170 10.102 ( -0.640 0.000 0.764) 0.996 10.115 ( -0.736 0.000 -0.374) 0.825 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -3.529 -0.071 2.554) 4.357 1.675 ( -4.364 0.004 -2.013) 4.806 1.765 ( -5.211 0.483 3.603) 6.353 1.852 ( -4.336 -0.296 -3.829) 5.792 1.936 ( -2.858 -1.347 1.487) 3.492 1.974 ( -2.251 -1.845 -1.121) 3.119 2.012 ( -5.245 0.673 3.530) 6.358 2.065 ( -6.530 -0.529 -0.091) 6.552 2.200 ( -4.661 0.184 4.646) 6.584 2.275 ( -3.382 2.767 -1.991) 4.802 2.331 ( 0.420 -2.805 0.771) 2.940 2.361 ( 0.133 -1.651 -0.819) 1.848 2.531 ( -3.366 2.523 2.091) 4.698 2.568 ( -4.189 -0.283 1.251) 4.381 2.573 ( -1.999 -1.654 1.686) 3.094 2.685 ( 0.348 -0.412 -3.741) 3.780 2.700 ( -0.004 2.180 1.592) 2.699 2.729 ( 0.553 -1.201 1.936) 2.345 2.746 ( 1.288 -1.892 -3.677) 4.331 2.863 ( 0.195 0.347 -9.903) 9.911 2.931 ( -1.840 0.839 -0.429) 2.067 2.937 ( -0.939 -0.056 -1.807) 2.038 3.278 ( -7.931 -0.294 2.246) 8.249 3.289 ( -6.423 -1.029 0.482) 6.523 3.397 ( 0.660 -0.091 3.737) 3.796 3.455 ( 0.631 0.521 -1.303) 1.538 3.468 ( 0.831 -0.279 -0.751) 1.154 3.480 ( -3.465 0.198 -1.280) 3.699 3.697 ( -9.079 0.247 2.254) 9.357 3.713 ( -7.385 0.014 0.493) 7.401 3.731 ( -7.446 0.597 0.744) 7.506 3.766 ( -9.084 0.710 -1.871) 9.301 3.864 ( -6.621 0.091 3.192) 7.351 3.926 ( -4.870 0.150 -2.234) 5.360 4.232 ( -1.343 0.234 -0.008) 1.363 4.234 ( -0.885 0.141 -0.151) 0.909 5.882 ( -1.414 -0.314 4.395) 4.628 5.974 ( -4.171 0.047 -3.610) 5.516 6.530 ( -6.394 -0.537 0.526) 6.438 6.544 ( -5.755 -0.432 -0.737) 5.818 6.765 ( -2.769 -0.800 1.568) 3.281 6.816 ( -1.629 -0.546 -3.169) 3.605 7.070 ( -4.614 0.032 2.039) 5.044 7.100 ( -6.065 0.155 -0.851) 6.126 7.323 ( -4.167 0.699 1.670) 4.543 7.369 ( -3.018 0.504 -2.586) 4.007 7.467 ( -3.294 -0.216 1.535) 3.641 7.482 ( -4.143 -0.566 0.036) 4.181 7.805 ( 0.914 0.500 0.199) 1.060 7.820 ( 1.190 0.254 -1.074) 1.623 8.078 ( 0.927 -0.043 0.645) 1.130 8.087 ( 0.997 -0.294 -0.294) 1.081 8.159 ( 2.464 2.668 0.087) 3.633 8.165 ( 2.876 0.993 -0.774) 3.139 8.220 ( 2.493 -3.241 3.642) 5.475 8.287 ( 2.967 -2.330 -1.924) 4.234 8.448 ( 2.170 -1.303 1.614) 3.002 8.494 ( 2.969 -1.050 -2.528) 4.038 9.212 ( -7.641 0.062 1.024) 7.710 9.242 ( -6.318 0.136 -1.650) 6.531 9.380 ( -5.280 -0.009 0.320) 5.290 9.387 ( -4.976 -0.024 -0.321) 4.986 9.556 ( -7.186 0.284 1.981) 7.459 9.598 ( -7.086 0.241 -1.811) 7.318 10.096 ( 0.238 0.059 0.341) 0.420 10.100 ( -0.410 0.067 -0.009) 0.415 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -5.501 1.645 1.155) 5.856 1.566 ( -6.234 -0.028 -1.123) 6.335 1.664 ( -3.435 6.045 3.540) 7.802 1.750 ( -5.115 3.880 -4.005) 7.567 1.891 ( -4.598 3.326 4.474) 7.227 1.916 ( -1.270 -5.497 2.779) 6.289 1.948 ( -4.166 -1.375 -1.295) 4.574 2.003 ( 0.295 -5.024 -1.749) 5.328 2.117 ( -3.160 -0.100 3.335) 4.596 2.173 ( -4.859 3.867 -2.008) 6.527 2.318 ( -6.730 -3.267 2.448) 7.872 2.349 ( -5.268 -2.308 3.872) 6.933 2.406 ( -6.996 -1.243 -3.594) 7.962 2.427 ( -2.103 -1.853 -3.031) 4.129 2.591 ( -0.388 -0.832 3.261) 3.388 2.686 ( 0.281 3.612 2.670) 4.501 2.691 ( -0.474 0.186 -2.901) 2.945 2.751 ( 0.870 -0.120 1.191) 1.479 2.777 ( 0.524 -2.878 -2.644) 3.943 2.831 ( -2.706 0.765 -3.505) 4.493 2.851 ( -5.925 2.378 -0.303) 6.391 2.902 ( -4.219 -0.926 -4.856) 6.500 3.086 ( -11.003 -0.946 1.813) 11.192 3.119 ( -8.801 -2.699 -1.437) 9.317 3.323 ( -7.878 4.208 3.011) 9.425 3.379 ( -6.127 4.781 -2.129) 8.058 3.438 ( -1.874 -0.151 0.685) 2.001 3.469 ( -2.776 0.531 -1.641) 3.268 3.530 ( -10.898 0.743 0.920) 10.962 3.548 ( -9.109 0.335 -0.321) 9.120 3.560 ( -5.688 0.642 2.272) 6.159 3.605 ( -4.362 -1.891 -2.013) 5.162 3.765 ( -3.450 -1.164 5.158) 6.314 3.847 ( -3.308 -0.781 -2.630) 4.298 4.219 ( 0.340 -0.048 0.758) 0.832 4.238 ( 1.457 -0.217 -0.917) 1.735 5.866 ( -0.415 -0.206 1.481) 1.552 5.897 ( -3.253 -0.357 -1.209) 3.488 6.433 ( -3.756 -1.144 1.420) 4.176 6.456 ( -3.514 -1.438 -0.603) 3.844 6.716 ( -2.761 -0.764 2.247) 3.641 6.779 ( -2.584 -0.364 -3.347) 4.244 6.944 ( -8.206 0.377 0.292) 8.220 6.947 ( -9.104 0.325 -0.020) 9.110 7.271 ( -0.397 0.407 1.556) 1.657 7.324 ( -1.171 0.781 -3.057) 3.366 7.419 ( -1.535 0.446 1.648) 2.296 7.433 ( -0.615 0.129 0.280) 0.688 7.822 ( 1.379 1.720 0.468) 2.254 7.844 ( 1.527 1.106 -1.382) 2.338 8.094 ( 0.669 -0.163 0.910) 1.141 8.109 ( 1.035 -0.341 -0.481) 1.191 8.192 ( 2.800 3.284 1.376) 4.530 8.214 ( 2.894 1.450 -0.898) 3.359 8.309 ( 3.661 -4.565 3.737) 6.943 8.383 ( 4.278 -4.494 -2.231) 6.594 8.496 ( 1.322 -2.871 1.771) 3.623 8.555 ( 2.028 -2.330 -3.572) 4.722 9.041 ( -9.020 0.402 2.183) 9.289 9.100 ( -7.367 0.684 -3.183) 8.055 9.256 ( -6.865 0.139 0.998) 6.939 9.273 ( -6.259 0.011 -0.628) 6.291 9.411 ( -6.864 0.659 2.107) 7.210 9.456 ( -6.727 0.330 -1.830) 6.979 10.103 ( 0.886 0.016 0.919) 1.277 10.119 ( 1.814 -0.572 -0.551) 1.980 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -7.488 6.583 3.401) 10.534 1.444 ( -5.617 4.301 -2.807) 7.611 1.546 ( -5.151 6.729 3.014) 8.994 1.613 ( -5.124 9.073 -2.917) 10.821 1.783 ( -4.470 3.036 4.143) 6.809 1.850 ( -6.013 1.531 -2.229) 6.593 1.926 ( -2.504 -5.525 2.701) 6.640 2.007 ( -4.836 2.161 -2.157) 5.719 2.076 ( 1.359 -0.785 0.916) 1.817 2.103 ( -2.314 -3.751 3.294) 5.502 2.143 ( -5.539 -1.601 -0.302) 5.774 2.205 ( -6.602 -4.429 -1.565) 8.103 2.362 ( -2.777 -1.579 0.743) 3.280 2.441 ( -0.745 -3.257 -4.871) 5.907 2.533 ( -4.509 5.371 6.088) 9.287 2.631 ( -5.543 1.671 0.180) 5.792 2.669 ( -4.534 3.724 -0.940) 5.942 2.684 ( -3.389 0.099 0.204) 3.397 2.731 ( -4.976 1.275 -1.010) 5.235 2.774 ( -0.695 0.074 -1.795) 1.926 2.790 ( -1.808 -1.928 -2.283) 3.492 2.807 ( -1.690 -1.686 -1.188) 2.666 2.924 ( -5.006 0.580 3.650) 6.222 3.007 ( -4.724 -0.327 -3.758) 6.045 3.112 ( -8.971 6.647 2.336) 11.407 3.175 ( -10.682 7.282 -3.553) 13.407 3.233 ( -14.166 0.687 0.996) 14.217 3.268 ( -11.463 1.063 -2.339) 11.747 3.415 ( -5.204 -3.748 0.997) 6.491 3.457 ( -2.818 0.061 -1.699) 3.292 3.493 ( -0.995 0.182 3.828) 3.959 3.567 ( -2.072 -2.953 -2.339) 4.299 3.741 ( -0.214 -2.480 4.441) 5.091 3.802 ( -1.919 -2.134 -1.775) 3.374 4.246 ( 1.874 -0.746 1.745) 2.667 4.286 ( 2.718 -0.570 -1.786) 3.302 5.855 ( -0.921 -1.103 0.367) 1.483 5.871 ( 0.258 -0.517 -0.707) 0.913 6.389 ( -1.379 -0.878 2.360) 2.871 6.423 ( -0.904 -2.436 -0.503) 2.646 6.658 ( -3.410 0.226 2.251) 4.092 6.704 ( -5.387 0.855 -1.457) 5.645 6.745 ( -10.164 0.640 -0.005) 10.184 6.750 ( -10.424 0.667 -0.373) 10.452 7.282 ( 0.666 0.468 -0.898) 1.212 7.315 ( 0.353 -0.321 -3.270) 3.305 7.420 ( 2.859 2.531 2.536) 4.584 7.445 ( 2.324 2.742 0.093) 3.595 7.839 ( 1.666 3.260 0.902) 3.770 7.870 ( 2.205 2.136 -1.887) 3.603 8.111 ( 1.200 -0.051 1.135) 1.653 8.134 ( 1.399 -0.118 -0.919) 1.678 8.233 ( 2.910 2.578 2.336) 4.536 8.265 ( 2.672 0.237 -0.944) 2.843 8.400 ( 2.461 -4.275 5.036) 7.049 8.483 ( 2.328 -4.461 -1.623) 5.287 8.527 ( -0.305 -3.781 1.325) 4.018 8.599 ( 0.987 -3.118 -5.429) 6.338 8.864 ( -7.919 0.740 3.397) 8.649 8.953 ( -6.552 1.161 -4.957) 8.298 9.126 ( -5.475 0.466 1.850) 5.798 9.154 ( -5.304 0.136 -0.914) 5.384 9.279 ( -6.096 0.512 2.727) 6.698 9.335 ( -5.051 0.406 -2.334) 5.579 10.134 ( 1.957 -0.663 2.086) 2.936 10.173 ( 2.801 -1.814 -1.402) 3.620 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -4.832 11.405 7.548) 14.505 1.254 ( -9.035 10.711 3.215) 14.377 1.389 ( -7.312 5.053 -3.448) 9.533 1.433 ( -5.671 10.180 -8.558) 14.458 1.700 ( -2.281 2.160 2.243) 3.860 1.714 ( -4.462 1.025 0.638) 4.622 1.868 ( -1.193 5.205 4.612) 7.056 1.949 ( -0.842 1.899 -2.271) 3.077 2.054 ( -1.174 -2.205 3.891) 4.624 2.100 ( 1.061 5.022 0.685) 5.178 2.150 ( -0.060 -3.013 -1.343) 3.300 2.179 ( -0.285 -2.399 -3.726) 4.441 2.240 ( -6.906 2.717 5.382) 9.167 2.344 ( -8.320 3.813 -0.430) 9.163 2.426 ( -2.490 2.494 0.815) 3.618 2.528 ( -2.537 6.039 -2.606) 7.050 2.572 ( -0.158 0.857 1.674) 1.887 2.636 ( -0.808 2.572 -4.101) 4.908 2.693 ( -0.957 -0.044 1.826) 2.062 2.746 ( -2.023 1.610 -3.359) 4.239 2.765 ( -1.465 -0.290 0.836) 1.712 2.793 ( -0.950 0.151 -1.930) 2.156 2.843 ( -3.782 2.314 1.937) 4.838 2.888 ( -8.873 4.150 -2.495) 10.108 2.935 ( -5.465 -1.004 -0.075) 5.557 2.943 ( -4.845 -0.671 -0.899) 4.973 3.003 ( -7.355 -1.356 2.935) 8.034 3.085 ( -6.854 -0.040 -4.792) 8.363 3.333 ( -3.885 -0.042 3.740) 5.393 3.393 ( -2.233 1.357 1.475) 3.001 3.497 ( 0.305 -0.836 -0.004) 0.890 3.559 ( -1.082 -6.688 -3.860) 7.797 3.764 ( 0.641 -2.425 2.994) 3.906 3.796 ( -0.365 -3.429 -0.630) 3.506 4.290 ( 1.682 -1.540 2.185) 3.158 4.338 ( 1.934 -0.793 -2.069) 2.941 5.863 ( 0.478 -2.605 1.183) 2.901 5.890 ( 0.990 -1.704 -0.419) 2.015 6.383 ( 0.300 -0.529 3.279) 3.335 6.440 ( 0.877 -2.051 -1.291) 2.578 6.530 ( -8.141 2.555 0.386) 8.541 6.536 ( -8.415 1.970 -0.077) 8.643 6.582 ( -3.975 1.860 1.172) 4.543 6.604 ( -5.425 1.301 -0.353) 5.590 7.286 ( 0.261 0.485 -0.798) 0.969 7.322 ( -0.076 -0.814 -3.173) 3.277 7.463 ( 2.672 6.548 1.933) 7.331 7.502 ( 4.706 3.700 -1.798) 6.250 7.851 ( 1.680 3.966 2.020) 4.758 7.910 ( 3.028 2.653 -3.527) 5.352 8.146 ( 2.133 -0.203 1.091) 2.405 8.169 ( 2.138 0.017 -0.973) 2.349 8.278 ( 2.662 0.934 2.988) 4.109 8.310 ( 1.131 -1.450 -0.680) 1.961 8.435 ( -1.004 -2.169 6.141) 6.590 8.503 ( -1.430 -1.324 -0.655) 2.056 8.519 ( -2.621 -2.898 1.371) 4.141 8.622 ( -0.797 -1.934 -6.386) 6.719 8.750 ( -2.890 -0.641 3.018) 4.227 8.848 ( -2.894 -0.006 -6.051) 6.707 9.044 ( -2.593 0.233 1.550) 3.030 9.069 ( -3.080 0.031 -0.921) 3.215 9.171 ( -4.164 0.168 4.725) 6.300 9.256 ( -2.547 0.533 -3.149) 4.086 10.180 ( 1.766 -1.790 3.497) 4.307 10.243 ( 2.343 -3.674 -2.099) 4.837 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 13.292 7.414) 15.220 1.073 ( 0.000 13.572 11.155) 17.568 1.245 ( 0.000 9.166 -8.529) 12.520 1.330 ( 0.000 8.914 -12.539) 15.385 1.657 ( 0.000 2.983 2.730) 4.044 1.672 ( 0.000 3.750 1.385) 3.998 1.832 ( 0.000 5.364 5.367) 7.588 1.934 ( 0.000 2.124 -3.901) 4.442 2.012 ( 0.000 21.067 8.236) 22.620 2.045 ( 0.000 2.848 1.874) 3.409 2.142 ( 0.000 3.886 3.368) 5.142 2.175 ( -0.000 -0.511 0.158) 0.535 2.178 ( -0.000 -2.326 -0.074) 2.327 2.229 ( -0.000 -2.300 -0.594) 2.375 2.401 ( 0.000 0.501 -3.733) 3.766 2.463 ( 0.000 8.554 -7.234) 11.203 2.607 ( 0.000 3.843 0.995) 3.970 2.622 ( -0.000 -1.997 0.825) 2.160 2.640 ( -0.000 -2.121 -0.772) 2.257 2.697 ( 0.000 5.927 -6.940) 9.126 2.742 ( 0.000 0.420 1.112) 1.189 2.759 ( 0.000 1.084 2.257) 2.504 2.767 ( 0.000 1.047 -1.066) 1.494 2.802 ( -0.000 -0.736 -1.463) 1.638 2.921 ( -0.000 -1.001 0.161) 1.014 2.925 ( -0.000 -0.712 -0.152) 0.728 2.939 ( -0.000 -4.590 2.926) 5.443 3.019 ( -0.000 -4.453 -4.247) 6.154 3.277 ( 0.000 5.130 5.874) 7.799 3.365 ( 0.000 1.108 -0.471) 1.204 3.504 ( -0.000 -0.368 2.458) 2.485 3.592 ( -0.000 -6.853 -5.114) 8.551 3.784 ( -0.000 -2.767 2.591) 3.791 3.818 ( -0.000 -4.967 -1.122) 5.092 4.319 ( -0.000 -2.062 2.093) 2.938 4.364 ( -0.000 -1.064 -1.890) 2.169 5.890 ( -0.000 -3.321 2.852) 4.378 5.922 ( -0.000 -4.884 0.471) 4.907 6.398 ( -0.000 -0.865 4.731) 4.810 6.408 ( 0.000 4.579 0.198) 4.583 6.413 ( 0.000 4.455 -0.203) 4.459 6.496 ( -0.000 -3.897 -2.436) 4.595 6.515 ( 0.000 3.254 0.133) 3.257 6.518 ( 0.000 3.303 -0.129) 3.305 7.287 ( 0.000 0.520 -0.370) 0.638 7.324 ( -0.000 -0.180 -2.678) 2.684 7.449 ( 0.000 8.005 3.138) 8.598 7.532 ( 0.000 4.240 -4.872) 6.459 7.850 ( 0.000 4.160 2.610) 4.911 7.934 ( 0.000 3.341 -5.834) 6.723 8.180 ( -0.000 -0.596 1.132) 1.279 8.204 ( -0.000 -0.433 -0.984) 1.075 8.317 ( -0.000 -2.011 0.450) 2.061 8.327 ( -0.000 -1.934 -0.503) 1.999 8.412 ( -0.000 -0.135 10.980) 10.981 8.473 ( 0.000 0.225 0.719) 0.753 8.489 ( 0.000 0.329 -0.704) 0.777 8.605 ( 0.000 0.481 -7.157) 7.174 8.736 ( -0.000 -2.194 3.097) 3.796 8.839 ( -0.000 -2.511 -5.810) 6.329 9.016 ( 0.000 0.007 0.873) 0.873 9.036 ( 0.000 0.081 -0.835) 0.839 9.127 ( 0.000 0.098 6.291) 6.292 9.228 ( 0.000 0.621 -3.486) 3.541 10.214 ( -0.000 -3.013 4.837) 5.699 10.295 ( -0.000 -5.258 -2.510) 5.826 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -4.158 0.000 0.780) 4.230 1.565 ( -6.549 0.000 -0.795) 6.597 1.712 ( -1.076 0.000 2.243) 2.488 1.774 ( -3.695 0.000 -2.950) 4.728 1.861 ( -4.900 0.000 1.821) 5.228 1.930 ( -2.474 0.000 4.912) 5.500 1.935 ( -1.861 0.000 -3.822) 4.251 1.970 ( -1.979 0.000 2.244) 2.992 2.116 ( -3.314 0.000 3.841) 5.073 2.203 ( -4.179 0.000 -3.899) 5.715 2.294 ( -6.704 0.000 3.293) 7.468 2.334 ( -4.865 0.000 4.166) 6.404 2.398 ( -7.421 0.000 -4.354) 8.604 2.417 ( -3.961 0.000 -2.497) 4.682 2.586 ( 0.624 -0.000 3.162) 3.223 2.692 ( -0.092 0.000 -3.058) 3.059 2.719 ( 0.213 -0.000 3.295) 3.302 2.735 ( 0.849 -0.000 2.184) 2.343 2.763 ( 0.758 -0.000 -3.525) 3.606 2.835 ( -2.960 0.000 -3.229) 4.380 2.874 ( -6.212 0.000 -3.925) 7.348 2.889 ( -3.839 0.000 -2.058) 4.355 3.083 ( -11.890 0.000 0.792) 11.916 3.101 ( -7.575 0.000 -0.724) 7.610 3.349 ( -6.381 0.000 3.398) 7.229 3.413 ( -4.723 0.000 -3.094) 5.647 3.432 ( -1.408 0.000 1.850) 2.325 3.471 ( -2.981 0.000 -1.606) 3.386 3.534 ( -12.252 0.000 0.557) 12.265 3.549 ( -10.641 0.000 -0.214) 10.643 3.566 ( -4.213 0.000 1.286) 4.405 3.591 ( -5.396 0.000 -1.380) 5.569 3.758 ( -3.831 0.000 5.324) 6.559 3.842 ( -3.574 0.000 -2.676) 4.465 4.219 ( 0.189 -0.000 0.717) 0.742 4.237 ( 1.354 -0.000 -0.870) 1.609 5.865 ( -0.264 0.000 1.394) 1.419 5.895 ( -3.475 0.000 -1.226) 3.685 6.426 ( -3.657 0.000 1.404) 3.918 6.448 ( -3.659 0.000 -0.495) 3.693 6.711 ( -2.493 0.000 2.317) 3.403 6.778 ( -2.357 0.000 -3.494) 4.215 6.946 ( -8.112 0.000 0.314) 8.118 6.949 ( -9.103 0.000 0.009) 9.103 7.274 ( -0.614 0.000 1.662) 1.772 7.328 ( -1.322 0.000 -3.111) 3.380 7.422 ( -1.452 0.000 1.469) 2.065 7.433 ( 0.079 -0.000 0.463) 0.470 7.832 ( 1.614 -0.000 0.329) 1.647 7.850 ( 1.693 -0.000 -1.205) 2.078 8.093 ( 0.716 -0.000 0.677) 0.986 8.107 ( 1.086 -0.000 -0.575) 1.228 8.217 ( 2.517 -0.000 0.448) 2.557 8.229 ( 2.850 -0.000 -0.736) 2.944 8.273 ( 3.781 -0.000 4.785) 6.098 8.354 ( 4.338 -0.000 -2.110) 4.824 8.480 ( 1.314 -0.000 1.819) 2.244 8.542 ( 2.048 -0.000 -3.801) 4.317 9.044 ( -8.941 0.000 2.247) 9.219 9.104 ( -7.265 0.000 -3.263) 7.964 9.256 ( -6.802 0.000 0.950) 6.868 9.273 ( -6.226 0.000 -0.608) 6.255 9.415 ( -6.892 0.000 2.058) 7.193 9.457 ( -6.788 0.000 -1.707) 6.999 10.103 ( 0.760 -0.000 0.749) 1.067 10.116 ( 1.649 -0.000 -0.405) 1.698 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -6.492 2.521 2.119) 7.280 1.466 ( -3.546 0.426 -1.972) 4.080 1.646 ( -6.074 9.532 2.604) 11.599 1.698 ( -2.084 5.050 -0.479) 5.484 1.763 ( -5.930 -6.656 0.403) 8.924 1.840 ( -7.750 -2.392 -5.690) 9.908 1.920 ( 1.117 4.610 5.749) 7.453 1.995 ( 1.021 -4.392 0.441) 4.531 2.071 ( -5.798 -0.514 2.967) 6.533 2.094 ( -2.240 2.618 2.215) 4.096 2.129 ( -4.192 -1.368 0.394) 4.427 2.162 ( -6.166 -2.699 -1.937) 7.004 2.350 ( -1.876 -0.469 -0.994) 2.174 2.409 ( -0.179 -1.840 -4.378) 4.752 2.576 ( -1.937 2.051 5.185) 5.903 2.643 ( -6.198 0.440 -0.029) 6.213 2.681 ( -7.718 0.117 1.295) 7.827 2.708 ( -1.494 2.410 1.573) 3.243 2.737 ( -3.762 -0.305 0.182) 3.779 2.767 ( -1.949 -1.222 -4.384) 4.951 2.777 ( -0.410 0.278 -2.586) 2.633 2.792 ( -1.740 -1.000 -1.610) 2.573 2.926 ( -3.699 -0.000 3.086) 4.817 3.004 ( -3.692 -0.146 -3.937) 5.399 3.194 ( -8.222 6.525 3.376) 11.026 3.227 ( -13.217 1.153 0.431) 13.274 3.238 ( -15.858 0.194 0.079) 15.859 3.311 ( -7.421 5.936 -5.138) 10.803 3.359 ( -8.138 -3.857 1.084) 9.071 3.411 ( -3.930 -7.013 -4.883) 9.406 3.512 ( -1.621 2.138 3.131) 4.123 3.545 ( -1.907 -1.369 -0.225) 2.358 3.722 ( -0.009 -0.809 4.963) 5.029 3.787 ( -2.039 -0.645 -1.760) 2.770 4.240 ( 1.640 -0.272 1.844) 2.483 4.281 ( 2.696 -0.201 -1.813) 3.255 5.845 ( -1.612 -0.517 0.485) 1.761 5.869 ( 0.527 -0.009 -1.709) 1.788 6.384 ( -0.872 -0.100 2.211) 2.379 6.402 ( -1.136 -1.135 0.455) 1.669 6.660 ( -2.796 0.148 2.290) 3.617 6.712 ( -4.376 0.379 -1.890) 4.782 6.750 ( -10.306 0.224 0.204) 10.310 6.756 ( -10.325 0.318 -0.304) 10.335 7.285 ( 0.866 0.097 -1.233) 1.510 7.311 ( -0.421 -0.184 -2.966) 3.001 7.439 ( 3.615 0.787 2.860) 4.676 7.467 ( 3.206 1.046 -0.046) 3.373 7.866 ( 2.001 1.345 0.362) 2.438 7.886 ( 2.117 0.653 -1.359) 2.599 8.111 ( 1.257 0.013 0.965) 1.585 8.133 ( 1.525 -0.084 -0.928) 1.787 8.260 ( 2.145 1.390 0.902) 2.711 8.274 ( 2.119 1.306 -0.410) 2.523 8.356 ( 3.163 -2.926 6.141) 7.502 8.443 ( 3.252 -2.113 -1.067) 4.022 8.499 ( 0.233 -1.214 1.070) 1.635 8.576 ( 1.276 -0.982 -5.991) 6.203 8.870 ( -8.012 0.267 3.525) 8.757 8.962 ( -6.654 0.413 -5.114) 8.402 9.129 ( -5.493 0.137 1.667) 5.742 9.154 ( -5.322 0.035 -0.859) 5.391 9.283 ( -6.292 0.200 2.810) 6.894 9.338 ( -5.058 0.099 -2.150) 5.497 10.129 ( 1.698 -0.211 1.604) 2.345 10.159 ( 2.390 -0.642 -1.064) 2.694 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -4.201 5.846 5.605) 9.124 1.363 ( -7.859 7.963 1.311) 11.265 1.426 ( -6.920 1.880 -0.153) 7.173 1.545 ( -7.840 8.715 -7.446) 13.888 1.703 ( -3.728 -1.235 1.595) 4.238 1.729 ( -0.760 1.008 -0.575) 1.387 1.920 ( 0.409 3.808 3.488) 5.180 1.968 ( -0.935 1.492 -0.855) 1.957 2.015 ( -0.621 -3.605 4.122) 5.511 2.102 ( -1.797 -3.898 -2.957) 5.213 2.136 ( 3.118 1.415 0.372) 3.445 2.143 ( 0.481 -2.824 0.693) 2.947 2.278 ( -3.853 2.975 -0.913) 4.953 2.349 ( -5.781 -1.721 -5.535) 8.187 2.501 ( -1.298 7.449 8.245) 11.187 2.561 ( 0.557 0.270 2.363) 2.443 2.584 ( -1.371 1.634 -0.729) 2.254 2.672 ( -1.673 3.354 -3.759) 5.309 2.698 ( -0.097 0.665 2.356) 2.450 2.749 ( -1.724 -1.303 -1.411) 2.581 2.764 ( -1.140 0.094 -0.507) 1.251 2.787 ( -0.124 -0.755 -1.890) 2.039 2.879 ( -1.840 2.850 2.229) 4.059 2.915 ( -9.163 0.115 -0.922) 9.210 2.935 ( -7.729 -0.478 -0.375) 7.753 2.944 ( -9.633 1.742 -1.127) 9.853 3.013 ( -7.581 4.637 3.496) 9.550 3.126 ( -6.933 7.182 -7.385) 12.417 3.265 ( -4.645 -9.511 4.164) 11.374 3.403 ( -1.362 -5.743 -8.039) 9.973 3.463 ( -1.738 0.104 3.684) 4.074 3.517 ( -1.447 -1.372 -1.010) 2.235 3.745 ( 1.091 -1.036 3.472) 3.784 3.770 ( -0.325 -1.308 0.051) 1.349 4.276 ( 1.448 -0.883 2.577) 3.085 4.332 ( 1.917 -0.391 -2.309) 3.026 5.835 ( -0.188 -1.872 1.258) 2.264 5.883 ( 0.756 -0.064 -2.951) 3.047 6.382 ( 0.581 0.307 3.269) 3.335 6.414 ( 1.081 -2.239 0.732) 2.591 6.555 ( -7.622 1.698 0.161) 7.811 6.557 ( -7.904 1.521 0.000) 8.049 6.599 ( -3.072 1.072 1.047) 3.418 6.617 ( -4.756 0.915 -0.277) 4.851 7.291 ( 0.148 0.480 -1.821) 1.889 7.312 ( -0.058 -0.971 -3.126) 3.274 7.522 ( 3.538 3.763 1.280) 5.322 7.535 ( 5.023 2.071 0.163) 5.435 7.890 ( 1.500 2.739 1.063) 3.299 7.928 ( 2.342 0.566 -2.371) 3.381 8.144 ( 1.986 -0.033 1.142) 2.291 8.168 ( 1.969 -0.054 -0.991) 2.205 8.287 ( 1.054 0.302 1.022) 1.499 8.299 ( 0.644 -0.216 -0.132) 0.692 8.412 ( 0.774 -1.823 8.088) 8.327 8.483 ( -0.206 -1.555 0.462) 1.635 8.500 ( -0.675 -0.794 -0.067) 1.045 8.605 ( 0.499 -1.119 -7.193) 7.297 8.746 ( -3.688 -0.128 3.299) 4.950 8.850 ( -3.936 0.200 -6.412) 7.526 9.046 ( -2.806 0.095 1.383) 3.130 9.070 ( -3.107 0.016 -0.894) 3.233 9.173 ( -4.267 0.128 4.965) 6.548 9.259 ( -2.649 0.175 -3.122) 4.098 10.165 ( 1.455 -0.847 2.467) 2.986 10.211 ( 1.866 -1.921 -1.563) 3.101 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 8.722 5.838) 10.495 1.209 ( 0.000 10.089 9.276) 13.705 1.332 ( 0.000 6.124 -6.621) 9.019 1.423 ( 0.000 7.141 -10.155) 12.414 1.668 ( 0.000 0.590 3.832) 3.877 1.717 ( 0.000 3.396 -0.683) 3.464 1.892 ( 0.000 5.107 3.575) 6.234 1.957 ( 0.000 1.758 -2.244) 2.851 2.035 ( -0.000 -2.934 3.343) 4.448 2.112 ( -0.000 -4.843 -3.294) 5.857 2.146 ( -0.000 -2.957 0.834) 3.072 2.170 ( -0.000 -0.564 -1.254) 1.375 2.199 ( 0.000 7.539 3.360) 8.254 2.289 ( 0.000 7.463 -1.907) 7.702 2.431 ( 0.000 8.648 5.726) 10.371 2.569 ( 0.000 9.056 -3.009) 9.543 2.602 ( -0.000 -1.478 0.739) 1.653 2.618 ( -0.000 -1.770 -0.668) 1.892 2.662 ( 0.000 5.086 1.391) 5.273 2.746 ( 0.000 0.295 1.417) 1.447 2.746 ( 0.000 1.154 -0.338) 1.202 2.776 ( 0.000 1.321 -3.432) 3.678 2.777 ( 0.000 0.758 -1.309) 1.512 2.793 ( -0.000 -1.299 -1.140) 1.728 2.897 ( -0.000 -1.366 3.296) 3.568 2.911 ( -0.000 -0.669 0.272) 0.722 2.918 ( -0.000 -0.498 -0.271) 0.567 3.005 ( 0.000 3.701 -7.702) 8.545 3.270 ( -0.000 -7.349 5.410) 9.125 3.387 ( 0.000 3.366 0.253) 3.376 3.479 ( -0.000 -7.502 -3.945) 8.476 3.512 ( -0.000 -2.893 -1.776) 3.394 3.763 ( -0.000 -1.255 2.801) 3.069 3.779 ( -0.000 -2.153 0.574) 2.228 4.299 ( -0.000 -1.492 2.626) 3.020 4.355 ( -0.000 -0.623 -2.300) 2.383 5.850 ( -0.000 -3.249 1.424) 3.548 5.894 ( -0.000 -0.787 -2.040) 2.187 6.393 ( -0.000 -0.066 4.560) 4.560 6.453 ( 0.000 3.252 0.144) 3.255 6.454 ( -0.000 -3.416 0.120) 3.418 6.456 ( 0.000 3.159 -0.148) 3.162 6.548 ( 0.000 2.392 0.154) 2.397 6.551 ( 0.000 2.428 -0.151) 2.433 7.291 ( 0.000 0.310 -1.472) 1.504 7.316 ( -0.000 -0.929 -3.071) 3.208 7.530 ( 0.000 6.013 2.313) 6.443 7.578 ( 0.000 3.556 -2.249) 4.208 7.891 ( 0.000 3.059 2.106) 3.714 7.955 ( 0.000 0.575 -4.119) 4.159 8.174 ( -0.000 -0.432 1.197) 1.273 8.198 ( -0.000 -0.501 -0.960) 1.083 8.297 ( -0.000 -1.463 0.486) 1.541 8.308 ( -0.000 -1.399 -0.539) 1.500 8.414 ( 0.000 0.392 10.719) 10.726 8.475 ( 0.000 0.105 0.761) 0.768 8.492 ( 0.000 0.177 -0.750) 0.771 8.606 ( -0.000 -0.263 -6.083) 6.088 8.719 ( -0.000 -0.801 1.672) 1.854 8.818 ( -0.000 -1.308 -6.583) 6.712 9.016 ( 0.000 0.006 0.907) 0.907 9.037 ( 0.000 0.058 -0.865) 0.867 9.128 ( 0.000 0.046 6.442) 6.442 9.233 ( 0.000 0.176 -3.581) 3.586 10.188 ( -0.000 -1.601 3.232) 3.607 10.246 ( -0.000 -3.284 -1.920) 3.804 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -4.142 0.000 4.657) 6.233 1.414 ( -2.165 0.000 -3.774) 4.351 1.435 ( -12.846 0.000 6.279) 14.299 1.605 ( -11.028 0.000 -8.867) 14.151 1.687 ( -0.945 0.000 2.903) 3.053 1.733 ( 1.264 -0.000 -1.708) 2.125 1.946 ( -0.034 0.000 2.887) 2.887 1.974 ( -1.508 0.000 1.185) 1.918 1.993 ( 0.363 -0.000 2.866) 2.889 2.078 ( -2.001 0.000 -1.861) 2.732 2.123 ( 0.002 -0.000 1.567) 1.567 2.145 ( 3.113 -0.000 -0.456) 3.146 2.300 ( -1.316 0.000 -2.800) 3.094 2.333 ( -6.389 0.000 -4.780) 7.979 2.552 ( 0.914 -0.000 8.432) 8.481 2.552 ( 0.184 -0.000 2.621) 2.627 2.599 ( -1.086 0.000 -1.471) 1.829 2.694 ( -0.269 0.000 -2.101) 2.118 2.705 ( 0.423 -0.000 2.322) 2.361 2.734 ( -2.381 0.000 -1.993) 3.105 2.763 ( -1.982 0.000 -0.411) 2.024 2.783 ( 0.150 -0.000 -2.100) 2.105 2.893 ( -0.728 0.000 1.431) 1.605 2.918 ( -8.101 0.000 -1.103) 8.176 2.926 ( -13.238 0.000 1.342) 13.306 2.954 ( -7.575 0.000 -1.146) 7.661 3.112 ( -4.938 0.000 4.361) 6.588 3.113 ( -10.510 0.000 2.628) 10.834 3.235 ( -5.405 0.000 -5.353) 7.608 3.320 ( -1.258 0.000 -10.709) 10.782 3.493 ( -1.333 0.000 2.253) 2.618 3.496 ( -2.003 0.000 0.731) 2.132 3.739 ( 1.274 -0.000 3.604) 3.822 3.763 ( -0.294 0.000 0.181) 0.346 4.271 ( 1.366 -0.000 2.744) 3.065 4.329 ( 1.921 -0.000 -2.397) 3.072 5.824 ( -0.387 0.000 1.428) 1.479 5.883 ( 0.716 -0.000 -4.033) 4.097 6.389 ( 0.950 -0.000 2.919) 3.070 6.395 ( 0.736 -0.000 1.893) 2.031 6.565 ( -7.466 0.000 0.104) 7.467 6.567 ( -7.756 0.000 -0.006) 7.756 6.605 ( -2.676 0.000 1.023) 2.864 6.622 ( -4.448 0.000 -0.266) 4.456 7.296 ( 0.271 -0.000 -2.404) 2.419 7.304 ( -0.207 0.000 -2.862) 2.869 7.545 ( 3.509 -0.000 0.946) 3.635 7.546 ( 5.577 -0.000 0.938) 5.655 7.908 ( 1.578 -0.000 0.157) 1.586 7.928 ( 1.814 -0.000 -1.435) 2.312 8.144 ( 1.916 -0.000 1.146) 2.232 8.168 ( 1.913 -0.000 -0.960) 2.140 8.286 ( 0.300 -0.000 0.590) 0.662 8.301 ( 0.160 -0.000 -0.688) 0.707 8.400 ( 1.871 -0.000 9.154) 9.343 8.474 ( 0.499 -0.000 0.568) 0.756 8.496 ( -0.167 0.000 -0.259) 0.308 8.598 ( 0.876 -0.000 -7.447) 7.499 8.746 ( -3.953 0.000 3.404) 5.216 8.851 ( -4.252 0.000 -6.513) 7.778 9.047 ( -2.868 0.000 1.331) 3.162 9.070 ( -3.111 0.000 -0.888) 3.235 9.173 ( -4.314 0.000 5.013) 6.613 9.260 ( -2.686 0.000 -3.095) 4.098 10.161 ( 1.361 -0.000 2.116) 2.516 10.200 ( 1.714 -0.000 -1.352) 2.183 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 3.038 5.050) 5.893 1.290 ( 0.000 3.877 8.337) 9.195 1.379 ( 0.000 2.139 -5.598) 5.993 1.481 ( 0.000 2.731 -8.785) 9.200 1.677 ( 0.000 0.805 4.434) 4.507 1.745 ( 0.000 1.504 -1.725) 2.289 1.940 ( 0.000 2.846 1.970) 3.461 1.970 ( 0.000 0.445 -0.819) 0.932 2.002 ( -0.000 -2.016 2.994) 3.610 2.056 ( -0.000 -3.295 -1.484) 3.614 2.117 ( -0.000 -1.750 1.744) 2.471 2.164 ( -0.000 -0.319 -2.356) 2.377 2.261 ( 0.000 3.444 -0.422) 3.470 2.310 ( -0.000 -0.766 -4.478) 4.544 2.563 ( 0.000 10.165 7.435) 12.594 2.591 ( -0.000 -0.486 0.592) 0.766 2.603 ( -0.000 -0.751 -0.486) 0.895 2.664 ( 0.000 7.544 -1.843) 7.765 2.692 ( -0.000 -1.479 1.965) 2.460 2.728 ( -0.000 -2.144 1.293) 2.504 2.746 ( -0.000 -5.029 -0.630) 5.068 2.748 ( 0.000 0.104 1.586) 1.589 2.783 ( 0.000 0.277 -1.460) 1.486 2.790 ( 0.000 0.141 -1.681) 1.687 2.906 ( -0.000 -0.234 0.330) 0.404 2.914 ( -0.000 -0.178 -0.325) 0.371 2.945 ( 0.000 9.329 4.213) 10.236 3.065 ( -0.000 -0.479 -3.546) 3.578 3.178 ( -0.000 -2.539 -0.150) 2.543 3.341 ( -0.000 -9.370 -11.025) 14.469 3.456 ( 0.000 3.625 3.118) 4.781 3.492 ( -0.000 -2.323 -0.403) 2.358 3.755 ( -0.000 -0.243 3.091) 3.100 3.764 ( -0.000 -0.630 1.069) 1.241 4.287 ( -0.000 -0.536 3.009) 3.057 4.350 ( -0.000 -0.190 -2.539) 2.546 5.825 ( -0.000 -1.146 1.678) 2.032 5.891 ( -0.000 -0.033 -4.467) 4.467 6.398 ( 0.000 1.117 3.999) 4.152 6.421 ( -0.000 -2.418 2.298) 3.336 6.479 ( 0.000 1.170 0.111) 1.175 6.481 ( 0.000 1.135 -0.115) 1.141 6.567 ( 0.000 0.887 0.167) 0.902 6.571 ( 0.000 0.900 -0.164) 0.915 7.296 ( 0.000 0.605 -2.331) 2.408 7.306 ( -0.000 -0.898 -2.967) 3.100 7.578 ( 0.000 2.213 1.853) 2.887 7.607 ( 0.000 1.379 -0.809) 1.599 7.919 ( 0.000 1.807 0.647) 1.920 7.952 ( -0.000 -0.817 -2.159) 2.308 8.170 ( -0.000 -0.155 1.196) 1.206 8.194 ( -0.000 -0.217 -0.879) 0.906 8.285 ( -0.000 -0.538 0.508) 0.740 8.297 ( -0.000 -0.514 -0.562) 0.761 8.418 ( 0.000 0.255 10.200) 10.203 8.475 ( 0.000 0.028 0.785) 0.786 8.493 ( 0.000 0.054 -0.775) 0.777 8.603 ( -0.000 -0.234 -5.192) 5.197 8.715 ( -0.000 -0.157 0.825) 0.839 8.808 ( -0.000 -0.387 -6.968) 6.978 9.016 ( 0.000 0.002 0.925) 0.925 9.037 ( 0.000 0.021 -0.882) 0.882 9.128 ( 0.000 0.014 6.451) 6.451 9.233 ( 0.000 0.023 -3.596) 3.596 10.177 ( -0.000 -0.504 2.432) 2.483 10.221 ( -0.000 -1.117 -1.507) 1.876 =================== 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 3/33462 10.0 430.940 795.152 214.570 0.000 0.000 0.000 3/33462 20.0 61.353 57.678 20.092 0.000 0.000 0.000 3/33462 30.0 25.512 19.811 7.913 0.000 0.000 0.000 3/33462 40.0 15.756 11.095 4.872 0.000 0.000 0.000 3/33462 50.0 11.375 7.602 3.538 0.000 0.000 0.000 3/33462 60.0 8.859 5.758 2.775 0.000 0.000 0.000 3/33462 70.0 7.221 4.624 2.278 0.000 0.000 0.000 3/33462 80.0 6.075 3.858 1.930 0.000 0.000 0.000 3/33462 90.0 5.235 3.308 1.672 0.000 0.000 0.000 3/33462 100.0 4.596 2.896 1.475 0.000 0.000 0.000 3/33462 110.0 4.096 2.575 1.320 0.000 0.000 0.000 3/33462 120.0 3.695 2.319 1.194 0.000 0.000 0.000 3/33462 130.0 3.366 2.110 1.091 0.000 0.000 0.000 3/33462 140.0 3.092 1.937 1.005 0.000 0.000 0.000 3/33462 150.0 2.861 1.790 0.931 0.000 0.000 0.000 3/33462 160.0 2.662 1.664 0.868 0.000 0.000 0.000 3/33462 170.0 2.490 1.556 0.813 0.000 0.000 0.000 3/33462 180.0 2.340 1.461 0.765 0.000 0.000 0.000 3/33462 190.0 2.207 1.377 0.722 0.000 0.000 0.000 3/33462 200.0 2.088 1.302 0.684 0.000 0.000 0.000 3/33462 210.0 1.982 1.236 0.650 0.000 0.000 0.000 3/33462 220.0 1.887 1.176 0.619 0.000 0.000 0.000 3/33462 230.0 1.801 1.121 0.591 0.000 0.000 0.000 3/33462 240.0 1.722 1.072 0.565 0.000 0.000 0.000 3/33462 250.0 1.650 1.027 0.542 0.000 0.000 0.000 3/33462 260.0 1.584 0.985 0.520 0.000 0.000 0.000 3/33462 270.0 1.523 0.947 0.500 0.000 0.000 0.000 3/33462 280.0 1.467 0.912 0.482 0.000 0.000 0.000 3/33462 290.0 1.414 0.879 0.465 0.000 0.000 0.000 3/33462 300.0 1.366 0.849 0.449 0.000 0.000 0.000 3/33462 310.0 1.321 0.820 0.434 0.000 0.000 0.000 3/33462 320.0 1.278 0.794 0.421 0.000 0.000 0.000 3/33462 330.0 1.239 0.769 0.408 0.000 0.000 0.000 3/33462 340.0 1.201 0.746 0.395 0.000 0.000 0.000 3/33462 350.0 1.166 0.724 0.384 0.000 0.000 0.000 3/33462 360.0 1.133 0.703 0.373 0.000 0.000 0.000 3/33462 370.0 1.102 0.684 0.363 0.000 0.000 0.000 3/33462 380.0 1.072 0.665 0.353 0.000 0.000 0.000 3/33462 390.0 1.045 0.648 0.344 0.000 0.000 0.000 3/33462 400.0 1.018 0.631 0.335 0.000 0.000 0.000 3/33462 410.0 0.993 0.616 0.327 0.000 0.000 0.000 3/33462 420.0 0.969 0.601 0.319 0.000 0.000 0.000 3/33462 430.0 0.946 0.587 0.312 0.000 0.000 0.000 3/33462 440.0 0.924 0.573 0.305 0.000 0.000 0.000 3/33462 450.0 0.904 0.560 0.298 0.000 0.000 0.000 3/33462 460.0 0.884 0.548 0.291 0.000 0.000 0.000 3/33462 470.0 0.865 0.536 0.285 0.000 0.000 0.000 3/33462 480.0 0.846 0.525 0.279 0.000 0.000 0.000 3/33462 490.0 0.829 0.514 0.273 0.000 0.000 0.000 3/33462 500.0 0.812 0.503 0.268 0.000 0.000 0.000 3/33462 510.0 0.796 0.493 0.263 0.000 0.000 0.000 3/33462 520.0 0.781 0.484 0.257 0.000 0.000 0.000 3/33462 530.0 0.766 0.474 0.253 0.000 0.000 0.000 3/33462 540.0 0.752 0.466 0.248 0.000 0.000 0.000 3/33462 550.0 0.738 0.457 0.243 0.000 0.000 0.000 3/33462 560.0 0.725 0.449 0.239 0.000 0.000 0.000 3/33462 570.0 0.712 0.441 0.235 0.000 0.000 0.000 3/33462 580.0 0.700 0.433 0.231 0.000 0.000 0.000 3/33462 590.0 0.688 0.426 0.227 0.000 0.000 0.000 3/33462 600.0 0.676 0.419 0.223 0.000 0.000 0.000 3/33462 610.0 0.665 0.412 0.219 0.000 0.000 0.000 3/33462 620.0 0.654 0.405 0.216 0.000 0.000 0.000 3/33462 630.0 0.644 0.399 0.212 0.000 0.000 0.000 3/33462 640.0 0.634 0.392 0.209 0.000 0.000 0.000 3/33462 650.0 0.624 0.386 0.206 0.000 0.000 0.000 3/33462 660.0 0.614 0.380 0.203 0.000 0.000 0.000 3/33462 670.0 0.605 0.375 0.200 0.000 0.000 0.000 3/33462 680.0 0.596 0.369 0.197 0.000 0.000 0.000 3/33462 690.0 0.588 0.364 0.194 0.000 0.000 0.000 3/33462 700.0 0.579 0.358 0.191 0.000 0.000 0.000 3/33462 710.0 0.571 0.353 0.188 0.000 0.000 0.000 3/33462 720.0 0.563 0.348 0.186 0.000 0.000 0.000 3/33462 730.0 0.555 0.344 0.183 0.000 0.000 0.000 3/33462 740.0 0.548 0.339 0.181 0.000 0.000 0.000 3/33462 750.0 0.540 0.334 0.178 0.000 0.000 0.000 3/33462 760.0 0.533 0.330 0.176 0.000 0.000 0.000 3/33462 770.0 0.526 0.326 0.174 0.000 0.000 0.000 3/33462 780.0 0.520 0.321 0.171 0.000 0.000 0.000 3/33462 790.0 0.513 0.317 0.169 0.000 0.000 0.000 3/33462 800.0 0.507 0.313 0.167 0.000 0.000 0.000 3/33462 810.0 0.500 0.310 0.165 0.000 0.000 0.000 3/33462 820.0 0.494 0.306 0.163 0.000 0.000 0.000 3/33462 830.0 0.488 0.302 0.161 0.000 0.000 0.000 3/33462 840.0 0.482 0.298 0.159 0.000 0.000 0.000 3/33462 850.0 0.477 0.295 0.157 0.000 0.000 0.000 3/33462 860.0 0.471 0.291 0.155 0.000 0.000 0.000 3/33462 870.0 0.466 0.288 0.154 0.000 0.000 0.000 3/33462 880.0 0.460 0.285 0.152 0.000 0.000 0.000 3/33462 890.0 0.455 0.282 0.150 0.000 0.000 0.000 3/33462 900.0 0.450 0.278 0.149 0.000 0.000 0.000 3/33462 910.0 0.445 0.275 0.147 0.000 0.000 0.000 3/33462 920.0 0.440 0.272 0.145 0.000 0.000 0.000 3/33462 930.0 0.436 0.269 0.144 0.000 0.000 0.000 3/33462 940.0 0.431 0.267 0.142 0.000 0.000 0.000 3/33462 950.0 0.426 0.264 0.141 0.000 0.000 0.000 3/33462 960.0 0.422 0.261 0.139 0.000 0.000 0.000 3/33462 970.0 0.418 0.258 0.138 0.000 0.000 0.000 3/33462 980.0 0.413 0.256 0.136 0.000 0.000 0.000 3/33462 990.0 0.409 0.253 0.135 0.000 0.000 0.000 3/33462 1000.0 0.405 0.251 0.134 0.000 0.000 0.000 3/33462 Thermal conductivity related properties were written into "kappa-m13133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:18:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|