----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:28:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.787692580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.589404960000000 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 *3 Ba 0.71615034612910 0.25000000000000 0.98643289388331 137.327 4 Ba 0.21615034612910 0.25000000000000 0.51356710611669 137.327 5 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 6 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 7 Ba 0.78384965387090 0.75000000000000 0.48643289388331 137.327 8 Ba 0.28384965387090 0.75000000000000 0.01356710611669 137.327 *9 Ge 0.60001922168211 0.75000000000000 0.93369764952163 72.640 10 Ge 0.10001922168211 0.75000000000000 0.56630235047837 72.640 11 Ge 0.89998077831789 0.25000000000000 0.43369764952163 72.640 12 Ge 0.39998077831789 0.25000000000000 0.06630235047837 72.640 *13 O 0.46917071263107 0.75000000000000 0.81078907278476 15.999 *14 O 0.66449256983790 0.93271964852903 0.80815880838916 15.999 15 O 0.66449256983790 0.56728035147097 0.80815880838916 15.999 *16 O 0.90576813849647 0.25000000000000 0.74907713319782 15.999 17 O 0.40576813849647 0.25000000000000 0.75092286680218 15.999 18 O 0.16449256983791 0.93271964852903 0.69184119161084 15.999 19 O 0.16449256983791 0.56728035147097 0.69184119161084 15.999 20 O 0.96917071263107 0.75000000000000 0.68921092721524 15.999 21 O 0.03082928736893 0.25000000000000 0.31078907278476 15.999 22 O 0.83550743016210 0.43271964852903 0.30815880838916 15.999 23 O 0.83550743016210 0.06728035147097 0.30815880838916 15.999 24 O 0.59423186150353 0.75000000000000 0.24907713319782 15.999 25 O 0.09423186150353 0.75000000000000 0.25092286680218 15.999 26 O 0.33550743016209 0.43271964852903 0.19184119161083 15.999 27 O 0.33550743016209 0.06728035147097 0.19184119161083 15.999 28 O 0.53082928736893 0.25000000000000 0.18921092721524 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.787692580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.589404960000000 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 2 *3 Ba 0.71615034612910 0.25000000000000 0.98643289388331 137.327 > 3 4 Ba 0.21615034612910 0.25000000000000 0.51356710611669 137.327 > 4 5 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 5 6 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 6 7 Ba 0.78384965387090 0.75000000000000 0.48643289388331 137.327 > 7 8 Ba 0.28384965387090 0.75000000000000 0.01356710611669 137.327 > 8 *9 Ge 0.60001922168211 0.75000000000000 0.93369764952163 72.640 > 9 10 Ge 0.10001922168211 0.75000000000000 0.56630235047837 72.640 > 10 11 Ge 0.89998077831789 0.25000000000000 0.43369764952163 72.640 > 11 12 Ge 0.39998077831789 0.25000000000000 0.06630235047837 72.640 > 12 *13 O 0.46917071263107 0.75000000000000 0.81078907278476 15.999 > 13 *14 O 0.66449256983790 0.93271964852903 0.80815880838916 15.999 > 14 15 O 0.66449256983790 0.56728035147097 0.80815880838916 15.999 > 15 *16 O 0.90576813849647 0.25000000000000 0.74907713319782 15.999 > 16 17 O 0.40576813849647 0.25000000000000 0.75092286680218 15.999 > 17 18 O 0.16449256983791 0.93271964852903 0.69184119161084 15.999 > 18 19 O 0.16449256983791 0.56728035147097 0.69184119161084 15.999 > 19 20 O 0.96917071263107 0.75000000000000 0.68921092721524 15.999 > 20 21 O 0.03082928736893 0.25000000000000 0.31078907278476 15.999 > 21 22 O 0.83550743016210 0.43271964852903 0.30815880838916 15.999 > 22 23 O 0.83550743016210 0.06728035147097 0.30815880838916 15.999 > 23 24 O 0.59423186150353 0.75000000000000 0.24907713319782 15.999 > 24 25 O 0.09423186150353 0.75000000000000 0.25092286680218 15.999 > 25 26 O 0.33550743016209 0.43271964852903 0.19184119161083 15.999 > 26 27 O 0.33550743016209 0.06728035147097 0.19184119161083 15.999 > 27 28 O 0.53082928736893 0.25000000000000 0.18921092721524 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.575385160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.178809920000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 5 Ba 0.00000000000000 0.25000000000000 0.00000000000000 137.327 > 2 6 Ba 0.00000000000000 0.75000000000000 0.00000000000000 137.327 > 2 7 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 2 8 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 2 *9 Ba 0.71615034612910 0.12500000000000 0.49321644694165 137.327 > 3 10 Ba 0.71615034612910 0.62500000000000 0.49321644694165 137.327 > 3 11 Ba 0.71615034612910 0.12500000000000 0.99321644694165 137.327 > 3 12 Ba 0.71615034612910 0.62500000000000 0.99321644694165 137.327 > 3 13 Ba 0.21615034612910 0.12500000000000 0.25678355305835 137.327 > 4 14 Ba 0.21615034612910 0.62500000000000 0.25678355305835 137.327 > 4 15 Ba 0.21615034612910 0.12500000000000 0.75678355305835 137.327 > 4 16 Ba 0.21615034612910 0.62500000000000 0.75678355305835 137.327 > 4 17 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 5 18 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 5 19 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 5 20 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 5 21 Ba 0.50000000000000 0.25000000000000 0.25000000000000 137.327 > 6 22 Ba 0.50000000000000 0.75000000000000 0.25000000000000 137.327 > 6 23 Ba 0.50000000000000 0.25000000000000 0.75000000000000 137.327 > 6 24 Ba 0.50000000000000 0.75000000000000 0.75000000000000 137.327 > 6 25 Ba 0.78384965387090 0.37500000000000 0.24321644694165 137.327 > 7 26 Ba 0.78384965387090 0.87500000000000 0.24321644694165 137.327 > 7 27 Ba 0.78384965387090 0.37500000000000 0.74321644694165 137.327 > 7 28 Ba 0.78384965387090 0.87500000000000 0.74321644694165 137.327 > 7 29 Ba 0.28384965387090 0.37500000000000 0.00678355305835 137.327 > 8 30 Ba 0.28384965387090 0.87500000000000 0.00678355305835 137.327 > 8 31 Ba 0.28384965387090 0.37500000000000 0.50678355305835 137.327 > 8 32 Ba 0.28384965387090 0.87500000000000 0.50678355305835 137.327 > 8 *33 Ge 0.60001922168211 0.37500000000000 0.46684882476081 72.640 > 9 34 Ge 0.60001922168211 0.87500000000000 0.46684882476081 72.640 > 9 35 Ge 0.60001922168211 0.37500000000000 0.96684882476081 72.640 > 9 36 Ge 0.60001922168211 0.87500000000000 0.96684882476081 72.640 > 9 37 Ge 0.10001922168211 0.37500000000000 0.28315117523919 72.640 > 10 38 Ge 0.10001922168211 0.87500000000000 0.28315117523919 72.640 > 10 39 Ge 0.10001922168211 0.37500000000000 0.78315117523919 72.640 > 10 40 Ge 0.10001922168211 0.87500000000000 0.78315117523919 72.640 > 10 41 Ge 0.89998077831789 0.12500000000000 0.21684882476081 72.640 > 11 42 Ge 0.89998077831789 0.62500000000000 0.21684882476081 72.640 > 11 43 Ge 0.89998077831789 0.12500000000000 0.71684882476081 72.640 > 11 44 Ge 0.89998077831789 0.62500000000000 0.71684882476081 72.640 > 11 45 Ge 0.39998077831789 0.12500000000000 0.03315117523919 72.640 > 12 46 Ge 0.39998077831789 0.62500000000000 0.03315117523919 72.640 > 12 47 Ge 0.39998077831789 0.12500000000000 0.53315117523919 72.640 > 12 48 Ge 0.39998077831789 0.62500000000000 0.53315117523919 72.640 > 12 *49 O 0.46917071263107 0.37500000000000 0.40539453639238 15.999 > 13 50 O 0.46917071263107 0.87500000000000 0.40539453639238 15.999 > 13 51 O 0.46917071263107 0.37500000000000 0.90539453639238 15.999 > 13 52 O 0.46917071263107 0.87500000000000 0.90539453639238 15.999 > 13 *53 O 0.66449256983790 0.46635982426451 0.40407940419458 15.999 > 14 54 O 0.66449256983790 0.96635982426451 0.40407940419458 15.999 > 14 55 O 0.66449256983790 0.46635982426451 0.90407940419458 15.999 > 14 56 O 0.66449256983790 0.96635982426451 0.90407940419458 15.999 > 14 57 O 0.66449256983790 0.28364017573549 0.40407940419458 15.999 > 15 58 O 0.66449256983790 0.78364017573549 0.40407940419458 15.999 > 15 59 O 0.66449256983790 0.28364017573549 0.90407940419458 15.999 > 15 60 O 0.66449256983790 0.78364017573549 0.90407940419458 15.999 > 15 *61 O 0.90576813849647 0.12500000000000 0.37453856659891 15.999 > 16 62 O 0.90576813849647 0.62500000000000 0.37453856659891 15.999 > 16 63 O 0.90576813849647 0.12500000000000 0.87453856659891 15.999 > 16 64 O 0.90576813849647 0.62500000000000 0.87453856659891 15.999 > 16 65 O 0.40576813849647 0.12500000000000 0.37546143340109 15.999 > 17 66 O 0.40576813849647 0.62500000000000 0.37546143340109 15.999 > 17 67 O 0.40576813849647 0.12500000000000 0.87546143340109 15.999 > 17 68 O 0.40576813849647 0.62500000000000 0.87546143340109 15.999 > 17 69 O 0.16449256983791 0.46635982426451 0.34592059580542 15.999 > 18 70 O 0.16449256983791 0.96635982426451 0.34592059580542 15.999 > 18 71 O 0.16449256983791 0.46635982426451 0.84592059580542 15.999 > 18 72 O 0.16449256983791 0.96635982426451 0.84592059580542 15.999 > 18 73 O 0.16449256983791 0.28364017573549 0.34592059580542 15.999 > 19 74 O 0.16449256983791 0.78364017573549 0.34592059580542 15.999 > 19 75 O 0.16449256983791 0.28364017573549 0.84592059580542 15.999 > 19 76 O 0.16449256983791 0.78364017573549 0.84592059580542 15.999 > 19 77 O 0.96917071263107 0.37500000000000 0.34460546360762 15.999 > 20 78 O 0.96917071263107 0.87500000000000 0.34460546360762 15.999 > 20 79 O 0.96917071263107 0.37500000000000 0.84460546360762 15.999 > 20 80 O 0.96917071263107 0.87500000000000 0.84460546360762 15.999 > 20 81 O 0.03082928736893 0.12500000000000 0.15539453639238 15.999 > 21 82 O 0.03082928736893 0.62500000000000 0.15539453639238 15.999 > 21 83 O 0.03082928736893 0.12500000000000 0.65539453639238 15.999 > 21 84 O 0.03082928736893 0.62500000000000 0.65539453639238 15.999 > 21 85 O 0.83550743016210 0.21635982426451 0.15407940419458 15.999 > 22 86 O 0.83550743016210 0.71635982426451 0.15407940419458 15.999 > 22 87 O 0.83550743016210 0.21635982426451 0.65407940419458 15.999 > 22 88 O 0.83550743016210 0.71635982426451 0.65407940419458 15.999 > 22 89 O 0.83550743016210 0.03364017573549 0.15407940419458 15.999 > 23 90 O 0.83550743016210 0.53364017573549 0.15407940419458 15.999 > 23 91 O 0.83550743016210 0.03364017573549 0.65407940419458 15.999 > 23 92 O 0.83550743016210 0.53364017573549 0.65407940419458 15.999 > 23 93 O 0.59423186150353 0.37500000000000 0.12453856659891 15.999 > 24 94 O 0.59423186150353 0.87500000000000 0.12453856659891 15.999 > 24 95 O 0.59423186150353 0.37500000000000 0.62453856659891 15.999 > 24 96 O 0.59423186150353 0.87500000000000 0.62453856659891 15.999 > 24 97 O 0.09423186150353 0.37500000000000 0.12546143340109 15.999 > 25 98 O 0.09423186150353 0.87500000000000 0.12546143340109 15.999 > 25 99 O 0.09423186150353 0.37500000000000 0.62546143340109 15.999 > 25 100 O 0.09423186150353 0.87500000000000 0.62546143340109 15.999 > 25 101 O 0.33550743016209 0.21635982426451 0.09592059580542 15.999 > 26 102 O 0.33550743016209 0.71635982426451 0.09592059580542 15.999 > 26 103 O 0.33550743016209 0.21635982426451 0.59592059580542 15.999 > 26 104 O 0.33550743016209 0.71635982426451 0.59592059580542 15.999 > 26 105 O 0.33550743016209 0.03364017573549 0.09592059580542 15.999 > 27 106 O 0.33550743016209 0.53364017573549 0.09592059580542 15.999 > 27 107 O 0.33550743016209 0.03364017573549 0.59592059580542 15.999 > 27 108 O 0.33550743016209 0.53364017573549 0.59592059580542 15.999 > 27 109 O 0.53082928736893 0.12500000000000 0.09460546360762 15.999 > 28 110 O 0.53082928736893 0.62500000000000 0.09460546360762 15.999 > 28 111 O 0.53082928736893 0.12500000000000 0.59460546360762 15.999 > 28 112 O 0.53082928736893 0.62500000000000 0.59460546360762 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2546524 0.0000000 0.0000000 0.0000000 3.2834256 0.0000000 0.0000000 0.0000000 3.3205089 -------------------------- Born effective charges -------------------------- 1 Ba 2.2458440 -0.5552914 -0.1862373 -0.6097277 2.8411179 0.4405595 -0.0417251 0.1842426 2.9621169 2 Ba 2.2458440 0.5552914 -0.1862373 0.6097277 2.8411179 -0.4405595 -0.0417251 -0.1842426 2.9621169 3 Ba 3.0480279 0.0000000 0.0036297 0.0000000 2.6924327 0.0000000 -0.0897959 0.0000000 2.1781042 4 Ba 3.0480279 0.0000000 -0.0036297 0.0000000 2.6924327 0.0000000 0.0897959 0.0000000 2.1781042 5 Ba 2.2458440 -0.5552914 0.1862373 -0.6097277 2.8411179 -0.4405595 0.0417251 -0.1842426 2.9621169 6 Ba 2.2458440 0.5552914 0.1862373 0.6097277 2.8411179 0.4405595 0.0417251 0.1842426 2.9621169 7 Ba 3.0480279 0.0000000 -0.0036297 0.0000000 2.6924327 0.0000000 0.0897959 0.0000000 2.1781042 8 Ba 3.0480279 0.0000000 0.0036297 0.0000000 2.6924327 0.0000000 -0.0897959 0.0000000 2.1781042 9 Ge 2.6521118 0.0000000 -0.0815071 0.0000000 2.6962170 0.0000000 0.0259857 0.0000000 3.2420763 10 Ge 2.6521118 0.0000000 0.0815071 0.0000000 2.6962170 0.0000000 -0.0259857 0.0000000 3.2420763 11 Ge 2.6521118 0.0000000 0.0815071 0.0000000 2.6962170 0.0000000 -0.0259857 0.0000000 3.2420763 12 Ge 2.6521118 0.0000000 -0.0815071 0.0000000 2.6962170 0.0000000 0.0259857 0.0000000 3.2420763 13 O -2.5779881 0.0000000 -0.0949519 0.0000000 -1.8319435 0.0000000 -0.0507058 0.0000000 -1.9732963 14 O -1.8367902 -0.3009232 0.1417541 -0.2157456 -2.3649758 0.0703700 0.0603777 0.0378583 -1.7885736 15 O -1.8367902 0.3009232 0.1417541 0.2157456 -2.3649758 -0.0703700 0.0603777 -0.0378583 -1.7885736 16 O -1.6944152 0.0000000 -0.0825732 0.0000000 -1.6678725 0.0000000 -0.1305231 0.0000000 -2.8318538 17 O -1.6944152 0.0000000 0.0825732 0.0000000 -1.6678725 0.0000000 0.1305231 0.0000000 -2.8318538 18 O -1.8367902 -0.3009232 -0.1417541 -0.2157456 -2.3649758 -0.0703700 -0.0603777 -0.0378583 -1.7885736 19 O -1.8367902 0.3009232 -0.1417541 0.2157456 -2.3649758 0.0703700 -0.0603777 0.0378583 -1.7885736 20 O -2.5779881 0.0000000 0.0949519 0.0000000 -1.8319435 0.0000000 0.0507058 0.0000000 -1.9732963 21 O -2.5779881 0.0000000 0.0949519 0.0000000 -1.8319435 0.0000000 0.0507058 0.0000000 -1.9732963 22 O -1.8367902 0.3009232 -0.1417541 0.2157456 -2.3649758 0.0703700 -0.0603777 0.0378583 -1.7885736 23 O -1.8367902 -0.3009232 -0.1417541 -0.2157456 -2.3649758 -0.0703700 -0.0603777 -0.0378583 -1.7885736 24 O -1.6944152 0.0000000 0.0825732 0.0000000 -1.6678725 0.0000000 0.1305231 0.0000000 -2.8318538 25 O -1.6944152 0.0000000 -0.0825732 0.0000000 -1.6678725 0.0000000 -0.1305231 0.0000000 -2.8318538 26 O -1.8367902 0.3009232 0.1417541 0.2157456 -2.3649758 -0.0703700 0.0603777 -0.0378583 -1.7885736 27 O -1.8367902 -0.3009232 0.1417541 -0.2157456 -2.3649758 0.0703700 0.0603777 0.0378583 -1.7885736 28 O -2.5779881 0.0000000 -0.0949519 0.0000000 -1.8319435 0.0000000 -0.0507058 0.0000000 -1.9732963 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.067 Solver_block: 200 / 480 - Time: 3.080 Solver_block: 300 / 480 - Time: 3.084 Solver_block: 400 / 480 - Time: 3.075 Solver_block: 480 / 480 - Time: 2.488 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.845 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:28:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:28:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.787692580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.589404960000000 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 3 Ba 0.71615034612910 0.25000000000000 0.98643289388331 137.327 4 Ba 0.21615034612910 0.25000000000000 0.51356710611669 137.327 5 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 6 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 7 Ba 0.78384965387090 0.75000000000000 0.48643289388331 137.327 8 Ba 0.28384965387090 0.75000000000000 0.01356710611669 137.327 9 Ge 0.60001922168211 0.75000000000000 0.93369764952163 72.640 10 Ge 0.10001922168211 0.75000000000000 0.56630235047837 72.640 11 Ge 0.89998077831789 0.25000000000000 0.43369764952163 72.640 12 Ge 0.39998077831789 0.25000000000000 0.06630235047837 72.640 13 O 0.46917071263107 0.75000000000000 0.81078907278476 15.999 14 O 0.66449256983790 0.93271964852903 0.80815880838916 15.999 15 O 0.66449256983790 0.56728035147097 0.80815880838916 15.999 16 O 0.90576813849647 0.25000000000000 0.74907713319782 15.999 17 O 0.40576813849647 0.25000000000000 0.75092286680218 15.999 18 O 0.16449256983791 0.93271964852903 0.69184119161084 15.999 19 O 0.16449256983791 0.56728035147097 0.69184119161084 15.999 20 O 0.96917071263107 0.75000000000000 0.68921092721524 15.999 21 O 0.03082928736893 0.25000000000000 0.31078907278476 15.999 22 O 0.83550743016210 0.43271964852903 0.30815880838916 15.999 23 O 0.83550743016210 0.06728035147097 0.30815880838916 15.999 24 O 0.59423186150353 0.75000000000000 0.24907713319782 15.999 25 O 0.09423186150353 0.75000000000000 0.25092286680218 15.999 26 O 0.33550743016209 0.43271964852903 0.19184119161083 15.999 27 O 0.33550743016209 0.06728035147097 0.19184119161083 15.999 28 O 0.53082928736893 0.25000000000000 0.18921092721524 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.575385160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.178809920000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 5 Ba 0.00000000000000 0.25000000000000 0.00000000000000 137.327 > 5 6 Ba 0.00000000000000 0.75000000000000 0.00000000000000 137.327 > 5 7 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 5 8 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 5 9 Ba 0.71615034612910 0.12500000000000 0.49321644694165 137.327 > 9 10 Ba 0.71615034612910 0.62500000000000 0.49321644694165 137.327 > 9 11 Ba 0.71615034612910 0.12500000000000 0.99321644694165 137.327 > 9 12 Ba 0.71615034612910 0.62500000000000 0.99321644694165 137.327 > 9 13 Ba 0.21615034612910 0.12500000000000 0.25678355305835 137.327 > 13 14 Ba 0.21615034612910 0.62500000000000 0.25678355305835 137.327 > 13 15 Ba 0.21615034612910 0.12500000000000 0.75678355305835 137.327 > 13 16 Ba 0.21615034612910 0.62500000000000 0.75678355305835 137.327 > 13 17 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 17 18 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 17 19 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 17 20 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 17 21 Ba 0.50000000000000 0.25000000000000 0.25000000000000 137.327 > 21 22 Ba 0.50000000000000 0.75000000000000 0.25000000000000 137.327 > 21 23 Ba 0.50000000000000 0.25000000000000 0.75000000000000 137.327 > 21 24 Ba 0.50000000000000 0.75000000000000 0.75000000000000 137.327 > 21 25 Ba 0.78384965387090 0.37500000000000 0.24321644694165 137.327 > 25 26 Ba 0.78384965387090 0.87500000000000 0.24321644694165 137.327 > 25 27 Ba 0.78384965387090 0.37500000000000 0.74321644694165 137.327 > 25 28 Ba 0.78384965387090 0.87500000000000 0.74321644694165 137.327 > 25 29 Ba 0.28384965387090 0.37500000000000 0.00678355305835 137.327 > 29 30 Ba 0.28384965387090 0.87500000000000 0.00678355305835 137.327 > 29 31 Ba 0.28384965387090 0.37500000000000 0.50678355305835 137.327 > 29 32 Ba 0.28384965387090 0.87500000000000 0.50678355305835 137.327 > 29 33 Ge 0.60001922168211 0.37500000000000 0.46684882476081 72.640 > 33 34 Ge 0.60001922168211 0.87500000000000 0.46684882476081 72.640 > 33 35 Ge 0.60001922168211 0.37500000000000 0.96684882476081 72.640 > 33 36 Ge 0.60001922168211 0.87500000000000 0.96684882476081 72.640 > 33 37 Ge 0.10001922168211 0.37500000000000 0.28315117523919 72.640 > 37 38 Ge 0.10001922168211 0.87500000000000 0.28315117523919 72.640 > 37 39 Ge 0.10001922168211 0.37500000000000 0.78315117523919 72.640 > 37 40 Ge 0.10001922168211 0.87500000000000 0.78315117523919 72.640 > 37 41 Ge 0.89998077831789 0.12500000000000 0.21684882476081 72.640 > 41 42 Ge 0.89998077831789 0.62500000000000 0.21684882476081 72.640 > 41 43 Ge 0.89998077831789 0.12500000000000 0.71684882476081 72.640 > 41 44 Ge 0.89998077831789 0.62500000000000 0.71684882476081 72.640 > 41 45 Ge 0.39998077831789 0.12500000000000 0.03315117523919 72.640 > 45 46 Ge 0.39998077831789 0.62500000000000 0.03315117523919 72.640 > 45 47 Ge 0.39998077831789 0.12500000000000 0.53315117523919 72.640 > 45 48 Ge 0.39998077831789 0.62500000000000 0.53315117523919 72.640 > 45 49 O 0.46917071263107 0.37500000000000 0.40539453639238 15.999 > 49 50 O 0.46917071263107 0.87500000000000 0.40539453639238 15.999 > 49 51 O 0.46917071263107 0.37500000000000 0.90539453639238 15.999 > 49 52 O 0.46917071263107 0.87500000000000 0.90539453639238 15.999 > 49 53 O 0.66449256983790 0.46635982426451 0.40407940419458 15.999 > 53 54 O 0.66449256983790 0.96635982426451 0.40407940419458 15.999 > 53 55 O 0.66449256983790 0.46635982426451 0.90407940419458 15.999 > 53 56 O 0.66449256983790 0.96635982426451 0.90407940419458 15.999 > 53 57 O 0.66449256983790 0.28364017573549 0.40407940419458 15.999 > 57 58 O 0.66449256983790 0.78364017573549 0.40407940419458 15.999 > 57 59 O 0.66449256983790 0.28364017573549 0.90407940419458 15.999 > 57 60 O 0.66449256983790 0.78364017573549 0.90407940419458 15.999 > 57 61 O 0.90576813849647 0.12500000000000 0.37453856659891 15.999 > 61 62 O 0.90576813849647 0.62500000000000 0.37453856659891 15.999 > 61 63 O 0.90576813849647 0.12500000000000 0.87453856659891 15.999 > 61 64 O 0.90576813849647 0.62500000000000 0.87453856659891 15.999 > 61 65 O 0.40576813849647 0.12500000000000 0.37546143340109 15.999 > 65 66 O 0.40576813849647 0.62500000000000 0.37546143340109 15.999 > 65 67 O 0.40576813849647 0.12500000000000 0.87546143340109 15.999 > 65 68 O 0.40576813849647 0.62500000000000 0.87546143340109 15.999 > 65 69 O 0.16449256983791 0.46635982426451 0.34592059580542 15.999 > 69 70 O 0.16449256983791 0.96635982426451 0.34592059580542 15.999 > 69 71 O 0.16449256983791 0.46635982426451 0.84592059580542 15.999 > 69 72 O 0.16449256983791 0.96635982426451 0.84592059580542 15.999 > 69 73 O 0.16449256983791 0.28364017573549 0.34592059580542 15.999 > 73 74 O 0.16449256983791 0.78364017573549 0.34592059580542 15.999 > 73 75 O 0.16449256983791 0.28364017573549 0.84592059580542 15.999 > 73 76 O 0.16449256983791 0.78364017573549 0.84592059580542 15.999 > 73 77 O 0.96917071263107 0.37500000000000 0.34460546360762 15.999 > 77 78 O 0.96917071263107 0.87500000000000 0.34460546360762 15.999 > 77 79 O 0.96917071263107 0.37500000000000 0.84460546360762 15.999 > 77 80 O 0.96917071263107 0.87500000000000 0.84460546360762 15.999 > 77 81 O 0.03082928736893 0.12500000000000 0.15539453639238 15.999 > 81 82 O 0.03082928736893 0.62500000000000 0.15539453639238 15.999 > 81 83 O 0.03082928736893 0.12500000000000 0.65539453639238 15.999 > 81 84 O 0.03082928736893 0.62500000000000 0.65539453639238 15.999 > 81 85 O 0.83550743016210 0.21635982426451 0.15407940419458 15.999 > 85 86 O 0.83550743016210 0.71635982426451 0.15407940419458 15.999 > 85 87 O 0.83550743016210 0.21635982426451 0.65407940419458 15.999 > 85 88 O 0.83550743016210 0.71635982426451 0.65407940419458 15.999 > 85 89 O 0.83550743016210 0.03364017573549 0.15407940419458 15.999 > 89 90 O 0.83550743016210 0.53364017573549 0.15407940419458 15.999 > 89 91 O 0.83550743016210 0.03364017573549 0.65407940419458 15.999 > 89 92 O 0.83550743016210 0.53364017573549 0.65407940419458 15.999 > 89 93 O 0.59423186150353 0.37500000000000 0.12453856659891 15.999 > 93 94 O 0.59423186150353 0.87500000000000 0.12453856659891 15.999 > 93 95 O 0.59423186150353 0.37500000000000 0.62453856659891 15.999 > 93 96 O 0.59423186150353 0.87500000000000 0.62453856659891 15.999 > 93 97 O 0.09423186150353 0.37500000000000 0.12546143340109 15.999 > 97 98 O 0.09423186150353 0.87500000000000 0.12546143340109 15.999 > 97 99 O 0.09423186150353 0.37500000000000 0.62546143340109 15.999 > 97 100 O 0.09423186150353 0.87500000000000 0.62546143340109 15.999 > 97 101 O 0.33550743016209 0.21635982426451 0.09592059580542 15.999 > 101 102 O 0.33550743016209 0.71635982426451 0.09592059580542 15.999 > 101 103 O 0.33550743016209 0.21635982426451 0.59592059580542 15.999 > 101 104 O 0.33550743016209 0.71635982426451 0.59592059580542 15.999 > 101 105 O 0.33550743016209 0.03364017573549 0.09592059580542 15.999 > 105 106 O 0.33550743016209 0.53364017573549 0.09592059580542 15.999 > 105 107 O 0.33550743016209 0.03364017573549 0.59592059580542 15.999 > 105 108 O 0.33550743016209 0.53364017573549 0.59592059580542 15.999 > 105 109 O 0.53082928736893 0.12500000000000 0.09460546360762 15.999 > 109 110 O 0.53082928736893 0.62500000000000 0.09460546360762 15.999 > 109 111 O 0.53082928736893 0.12500000000000 0.59460546360762 15.999 > 109 112 O 0.53082928736893 0.62500000000000 0.59460546360762 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2546524 0.0000000 0.0000000 0.0000000 3.2834256 0.0000000 0.0000000 0.0000000 3.3205089 -------------------------- Born effective charges -------------------------- 1 Ba 2.2458440 -0.5552914 -0.1862373 -0.6097277 2.8411179 0.4405595 -0.0417251 0.1842426 2.9621169 2 Ba 2.2458440 0.5552914 -0.1862373 0.6097277 2.8411179 -0.4405595 -0.0417251 -0.1842426 2.9621169 3 Ba 3.0480279 0.0000000 0.0036297 0.0000000 2.6924327 0.0000000 -0.0897959 0.0000000 2.1781042 4 Ba 3.0480279 0.0000000 -0.0036297 0.0000000 2.6924327 0.0000000 0.0897959 0.0000000 2.1781042 5 Ba 2.2458440 -0.5552914 0.1862373 -0.6097277 2.8411179 -0.4405595 0.0417251 -0.1842426 2.9621169 6 Ba 2.2458440 0.5552914 0.1862373 0.6097277 2.8411179 0.4405595 0.0417251 0.1842426 2.9621169 7 Ba 3.0480279 0.0000000 -0.0036297 0.0000000 2.6924327 0.0000000 0.0897959 0.0000000 2.1781042 8 Ba 3.0480279 0.0000000 0.0036297 0.0000000 2.6924327 0.0000000 -0.0897959 0.0000000 2.1781042 9 Ge 2.6521118 0.0000000 -0.0815071 0.0000000 2.6962170 0.0000000 0.0259857 0.0000000 3.2420763 10 Ge 2.6521118 0.0000000 0.0815071 0.0000000 2.6962170 0.0000000 -0.0259857 0.0000000 3.2420763 11 Ge 2.6521118 0.0000000 0.0815071 0.0000000 2.6962170 0.0000000 -0.0259857 0.0000000 3.2420763 12 Ge 2.6521118 0.0000000 -0.0815071 0.0000000 2.6962170 0.0000000 0.0259857 0.0000000 3.2420763 13 O -2.5779881 0.0000000 -0.0949519 0.0000000 -1.8319435 0.0000000 -0.0507058 0.0000000 -1.9732963 14 O -1.8367902 -0.3009232 0.1417541 -0.2157456 -2.3649758 0.0703700 0.0603777 0.0378583 -1.7885736 15 O -1.8367902 0.3009232 0.1417541 0.2157456 -2.3649758 -0.0703700 0.0603777 -0.0378583 -1.7885736 16 O -1.6944152 0.0000000 -0.0825732 0.0000000 -1.6678725 0.0000000 -0.1305231 0.0000000 -2.8318538 17 O -1.6944152 0.0000000 0.0825732 0.0000000 -1.6678725 0.0000000 0.1305231 0.0000000 -2.8318538 18 O -1.8367902 -0.3009232 -0.1417541 -0.2157456 -2.3649758 -0.0703700 -0.0603777 -0.0378583 -1.7885736 19 O -1.8367902 0.3009232 -0.1417541 0.2157456 -2.3649758 0.0703700 -0.0603777 0.0378583 -1.7885736 20 O -2.5779881 0.0000000 0.0949519 0.0000000 -1.8319435 0.0000000 0.0507058 0.0000000 -1.9732963 21 O -2.5779881 0.0000000 0.0949519 0.0000000 -1.8319435 0.0000000 0.0507058 0.0000000 -1.9732963 22 O -1.8367902 0.3009232 -0.1417541 0.2157456 -2.3649758 0.0703700 -0.0603777 0.0378583 -1.7885736 23 O -1.8367902 -0.3009232 -0.1417541 -0.2157456 -2.3649758 -0.0703700 -0.0603777 -0.0378583 -1.7885736 24 O -1.6944152 0.0000000 0.0825732 0.0000000 -1.6678725 0.0000000 0.1305231 0.0000000 -2.8318538 25 O -1.6944152 0.0000000 -0.0825732 0.0000000 -1.6678725 0.0000000 -0.1305231 0.0000000 -2.8318538 26 O -1.8367902 0.3009232 0.1417541 0.2157456 -2.3649758 -0.0703700 0.0603777 -0.0378583 -1.7885736 27 O -1.8367902 -0.3009232 0.1417541 -0.2157456 -2.3649758 0.0703700 0.0603777 0.0378583 -1.7885736 28 O -2.5779881 0.0000000 -0.0949519 0.0000000 -1.8319435 0.0000000 -0.0507058 0.0000000 -1.9732963 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 22:29:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.787692580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.589404960000000 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 3 Ba 0.71615034612910 0.25000000000000 0.98643289388331 137.327 4 Ba 0.21615034612910 0.25000000000000 0.51356710611669 137.327 5 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 6 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 7 Ba 0.78384965387090 0.75000000000000 0.48643289388331 137.327 8 Ba 0.28384965387090 0.75000000000000 0.01356710611669 137.327 9 Ge 0.60001922168211 0.75000000000000 0.93369764952163 72.640 10 Ge 0.10001922168211 0.75000000000000 0.56630235047837 72.640 11 Ge 0.89998077831789 0.25000000000000 0.43369764952163 72.640 12 Ge 0.39998077831789 0.25000000000000 0.06630235047837 72.640 13 O 0.46917071263107 0.75000000000000 0.81078907278476 15.999 14 O 0.66449256983790 0.93271964852903 0.80815880838916 15.999 15 O 0.66449256983790 0.56728035147097 0.80815880838916 15.999 16 O 0.90576813849647 0.25000000000000 0.74907713319782 15.999 17 O 0.40576813849647 0.25000000000000 0.75092286680218 15.999 18 O 0.16449256983791 0.93271964852903 0.69184119161084 15.999 19 O 0.16449256983791 0.56728035147097 0.69184119161084 15.999 20 O 0.96917071263107 0.75000000000000 0.68921092721524 15.999 21 O 0.03082928736893 0.25000000000000 0.31078907278476 15.999 22 O 0.83550743016210 0.43271964852903 0.30815880838916 15.999 23 O 0.83550743016210 0.06728035147097 0.30815880838916 15.999 24 O 0.59423186150353 0.75000000000000 0.24907713319782 15.999 25 O 0.09423186150353 0.75000000000000 0.25092286680218 15.999 26 O 0.33550743016209 0.43271964852903 0.19184119161083 15.999 27 O 0.33550743016209 0.06728035147097 0.19184119161083 15.999 28 O 0.53082928736893 0.25000000000000 0.18921092721524 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.669904769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.575385160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.178809920000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 5 Ba 0.00000000000000 0.25000000000000 0.00000000000000 137.327 > 5 6 Ba 0.00000000000000 0.75000000000000 0.00000000000000 137.327 > 5 7 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 5 8 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 5 9 Ba 0.71615034612910 0.12500000000000 0.49321644694165 137.327 > 9 10 Ba 0.71615034612910 0.62500000000000 0.49321644694165 137.327 > 9 11 Ba 0.71615034612910 0.12500000000000 0.99321644694165 137.327 > 9 12 Ba 0.71615034612910 0.62500000000000 0.99321644694165 137.327 > 9 13 Ba 0.21615034612910 0.12500000000000 0.25678355305835 137.327 > 13 14 Ba 0.21615034612910 0.62500000000000 0.25678355305835 137.327 > 13 15 Ba 0.21615034612910 0.12500000000000 0.75678355305835 137.327 > 13 16 Ba 0.21615034612910 0.62500000000000 0.75678355305835 137.327 > 13 17 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 17 18 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 17 19 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 17 20 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 17 21 Ba 0.50000000000000 0.25000000000000 0.25000000000000 137.327 > 21 22 Ba 0.50000000000000 0.75000000000000 0.25000000000000 137.327 > 21 23 Ba 0.50000000000000 0.25000000000000 0.75000000000000 137.327 > 21 24 Ba 0.50000000000000 0.75000000000000 0.75000000000000 137.327 > 21 25 Ba 0.78384965387090 0.37500000000000 0.24321644694165 137.327 > 25 26 Ba 0.78384965387090 0.87500000000000 0.24321644694165 137.327 > 25 27 Ba 0.78384965387090 0.37500000000000 0.74321644694165 137.327 > 25 28 Ba 0.78384965387090 0.87500000000000 0.74321644694165 137.327 > 25 29 Ba 0.28384965387090 0.37500000000000 0.00678355305835 137.327 > 29 30 Ba 0.28384965387090 0.87500000000000 0.00678355305835 137.327 > 29 31 Ba 0.28384965387090 0.37500000000000 0.50678355305835 137.327 > 29 32 Ba 0.28384965387090 0.87500000000000 0.50678355305835 137.327 > 29 33 Ge 0.60001922168211 0.37500000000000 0.46684882476081 72.640 > 33 34 Ge 0.60001922168211 0.87500000000000 0.46684882476081 72.640 > 33 35 Ge 0.60001922168211 0.37500000000000 0.96684882476081 72.640 > 33 36 Ge 0.60001922168211 0.87500000000000 0.96684882476081 72.640 > 33 37 Ge 0.10001922168211 0.37500000000000 0.28315117523919 72.640 > 37 38 Ge 0.10001922168211 0.87500000000000 0.28315117523919 72.640 > 37 39 Ge 0.10001922168211 0.37500000000000 0.78315117523919 72.640 > 37 40 Ge 0.10001922168211 0.87500000000000 0.78315117523919 72.640 > 37 41 Ge 0.89998077831789 0.12500000000000 0.21684882476081 72.640 > 41 42 Ge 0.89998077831789 0.62500000000000 0.21684882476081 72.640 > 41 43 Ge 0.89998077831789 0.12500000000000 0.71684882476081 72.640 > 41 44 Ge 0.89998077831789 0.62500000000000 0.71684882476081 72.640 > 41 45 Ge 0.39998077831789 0.12500000000000 0.03315117523919 72.640 > 45 46 Ge 0.39998077831789 0.62500000000000 0.03315117523919 72.640 > 45 47 Ge 0.39998077831789 0.12500000000000 0.53315117523919 72.640 > 45 48 Ge 0.39998077831789 0.62500000000000 0.53315117523919 72.640 > 45 49 O 0.46917071263107 0.37500000000000 0.40539453639238 15.999 > 49 50 O 0.46917071263107 0.87500000000000 0.40539453639238 15.999 > 49 51 O 0.46917071263107 0.37500000000000 0.90539453639238 15.999 > 49 52 O 0.46917071263107 0.87500000000000 0.90539453639238 15.999 > 49 53 O 0.66449256983790 0.46635982426451 0.40407940419458 15.999 > 53 54 O 0.66449256983790 0.96635982426451 0.40407940419458 15.999 > 53 55 O 0.66449256983790 0.46635982426451 0.90407940419458 15.999 > 53 56 O 0.66449256983790 0.96635982426451 0.90407940419458 15.999 > 53 57 O 0.66449256983790 0.28364017573549 0.40407940419458 15.999 > 57 58 O 0.66449256983790 0.78364017573549 0.40407940419458 15.999 > 57 59 O 0.66449256983790 0.28364017573549 0.90407940419458 15.999 > 57 60 O 0.66449256983790 0.78364017573549 0.90407940419458 15.999 > 57 61 O 0.90576813849647 0.12500000000000 0.37453856659891 15.999 > 61 62 O 0.90576813849647 0.62500000000000 0.37453856659891 15.999 > 61 63 O 0.90576813849647 0.12500000000000 0.87453856659891 15.999 > 61 64 O 0.90576813849647 0.62500000000000 0.87453856659891 15.999 > 61 65 O 0.40576813849647 0.12500000000000 0.37546143340109 15.999 > 65 66 O 0.40576813849647 0.62500000000000 0.37546143340109 15.999 > 65 67 O 0.40576813849647 0.12500000000000 0.87546143340109 15.999 > 65 68 O 0.40576813849647 0.62500000000000 0.87546143340109 15.999 > 65 69 O 0.16449256983791 0.46635982426451 0.34592059580542 15.999 > 69 70 O 0.16449256983791 0.96635982426451 0.34592059580542 15.999 > 69 71 O 0.16449256983791 0.46635982426451 0.84592059580542 15.999 > 69 72 O 0.16449256983791 0.96635982426451 0.84592059580542 15.999 > 69 73 O 0.16449256983791 0.28364017573549 0.34592059580542 15.999 > 73 74 O 0.16449256983791 0.78364017573549 0.34592059580542 15.999 > 73 75 O 0.16449256983791 0.28364017573549 0.84592059580542 15.999 > 73 76 O 0.16449256983791 0.78364017573549 0.84592059580542 15.999 > 73 77 O 0.96917071263107 0.37500000000000 0.34460546360762 15.999 > 77 78 O 0.96917071263107 0.87500000000000 0.34460546360762 15.999 > 77 79 O 0.96917071263107 0.37500000000000 0.84460546360762 15.999 > 77 80 O 0.96917071263107 0.87500000000000 0.84460546360762 15.999 > 77 81 O 0.03082928736893 0.12500000000000 0.15539453639238 15.999 > 81 82 O 0.03082928736893 0.62500000000000 0.15539453639238 15.999 > 81 83 O 0.03082928736893 0.12500000000000 0.65539453639238 15.999 > 81 84 O 0.03082928736893 0.62500000000000 0.65539453639238 15.999 > 81 85 O 0.83550743016210 0.21635982426451 0.15407940419458 15.999 > 85 86 O 0.83550743016210 0.71635982426451 0.15407940419458 15.999 > 85 87 O 0.83550743016210 0.21635982426451 0.65407940419458 15.999 > 85 88 O 0.83550743016210 0.71635982426451 0.65407940419458 15.999 > 85 89 O 0.83550743016210 0.03364017573549 0.15407940419458 15.999 > 89 90 O 0.83550743016210 0.53364017573549 0.15407940419458 15.999 > 89 91 O 0.83550743016210 0.03364017573549 0.65407940419458 15.999 > 89 92 O 0.83550743016210 0.53364017573549 0.65407940419458 15.999 > 89 93 O 0.59423186150353 0.37500000000000 0.12453856659891 15.999 > 93 94 O 0.59423186150353 0.87500000000000 0.12453856659891 15.999 > 93 95 O 0.59423186150353 0.37500000000000 0.62453856659891 15.999 > 93 96 O 0.59423186150353 0.87500000000000 0.62453856659891 15.999 > 93 97 O 0.09423186150353 0.37500000000000 0.12546143340109 15.999 > 97 98 O 0.09423186150353 0.87500000000000 0.12546143340109 15.999 > 97 99 O 0.09423186150353 0.37500000000000 0.62546143340109 15.999 > 97 100 O 0.09423186150353 0.87500000000000 0.62546143340109 15.999 > 97 101 O 0.33550743016209 0.21635982426451 0.09592059580542 15.999 > 101 102 O 0.33550743016209 0.71635982426451 0.09592059580542 15.999 > 101 103 O 0.33550743016209 0.21635982426451 0.59592059580542 15.999 > 101 104 O 0.33550743016209 0.71635982426451 0.59592059580542 15.999 > 101 105 O 0.33550743016209 0.03364017573549 0.09592059580542 15.999 > 105 106 O 0.33550743016209 0.53364017573549 0.09592059580542 15.999 > 105 107 O 0.33550743016209 0.03364017573549 0.59592059580542 15.999 > 105 108 O 0.33550743016209 0.53364017573549 0.59592059580542 15.999 > 105 109 O 0.53082928736893 0.12500000000000 0.09460546360762 15.999 > 109 110 O 0.53082928736893 0.62500000000000 0.09460546360762 15.999 > 109 111 O 0.53082928736893 0.12500000000000 0.59460546360762 15.999 > 109 112 O 0.53082928736893 0.62500000000000 0.59460546360762 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2546524 0.0000000 0.0000000 0.0000000 3.2834256 0.0000000 0.0000000 0.0000000 3.3205089 -------------------------- Born effective charges -------------------------- 1 Ba 2.2458440 -0.5552914 -0.1862373 -0.6097277 2.8411179 0.4405595 -0.0417251 0.1842426 2.9621169 2 Ba 2.2458440 0.5552914 -0.1862373 0.6097277 2.8411179 -0.4405595 -0.0417251 -0.1842426 2.9621169 3 Ba 3.0480279 0.0000000 0.0036297 0.0000000 2.6924327 0.0000000 -0.0897959 0.0000000 2.1781042 4 Ba 3.0480279 0.0000000 -0.0036297 0.0000000 2.6924327 0.0000000 0.0897959 0.0000000 2.1781042 5 Ba 2.2458440 -0.5552914 0.1862373 -0.6097277 2.8411179 -0.4405595 0.0417251 -0.1842426 2.9621169 6 Ba 2.2458440 0.5552914 0.1862373 0.6097277 2.8411179 0.4405595 0.0417251 0.1842426 2.9621169 7 Ba 3.0480279 0.0000000 -0.0036297 0.0000000 2.6924327 0.0000000 0.0897959 0.0000000 2.1781042 8 Ba 3.0480279 0.0000000 0.0036297 0.0000000 2.6924327 0.0000000 -0.0897959 0.0000000 2.1781042 9 Ge 2.6521118 0.0000000 -0.0815071 0.0000000 2.6962170 0.0000000 0.0259857 0.0000000 3.2420763 10 Ge 2.6521118 0.0000000 0.0815071 0.0000000 2.6962170 0.0000000 -0.0259857 0.0000000 3.2420763 11 Ge 2.6521118 0.0000000 0.0815071 0.0000000 2.6962170 0.0000000 -0.0259857 0.0000000 3.2420763 12 Ge 2.6521118 0.0000000 -0.0815071 0.0000000 2.6962170 0.0000000 0.0259857 0.0000000 3.2420763 13 O -2.5779881 0.0000000 -0.0949519 0.0000000 -1.8319435 0.0000000 -0.0507058 0.0000000 -1.9732963 14 O -1.8367902 -0.3009232 0.1417541 -0.2157456 -2.3649758 0.0703700 0.0603777 0.0378583 -1.7885736 15 O -1.8367902 0.3009232 0.1417541 0.2157456 -2.3649758 -0.0703700 0.0603777 -0.0378583 -1.7885736 16 O -1.6944152 0.0000000 -0.0825732 0.0000000 -1.6678725 0.0000000 -0.1305231 0.0000000 -2.8318538 17 O -1.6944152 0.0000000 0.0825732 0.0000000 -1.6678725 0.0000000 0.1305231 0.0000000 -2.8318538 18 O -1.8367902 -0.3009232 -0.1417541 -0.2157456 -2.3649758 -0.0703700 -0.0603777 -0.0378583 -1.7885736 19 O -1.8367902 0.3009232 -0.1417541 0.2157456 -2.3649758 0.0703700 -0.0603777 0.0378583 -1.7885736 20 O -2.5779881 0.0000000 0.0949519 0.0000000 -1.8319435 0.0000000 0.0507058 0.0000000 -1.9732963 21 O -2.5779881 0.0000000 0.0949519 0.0000000 -1.8319435 0.0000000 0.0507058 0.0000000 -1.9732963 22 O -1.8367902 0.3009232 -0.1417541 0.2157456 -2.3649758 0.0703700 -0.0603777 0.0378583 -1.7885736 23 O -1.8367902 -0.3009232 -0.1417541 -0.2157456 -2.3649758 -0.0703700 -0.0603777 -0.0378583 -1.7885736 24 O -1.6944152 0.0000000 0.0825732 0.0000000 -1.6678725 0.0000000 0.1305231 0.0000000 -2.8318538 25 O -1.6944152 0.0000000 -0.0825732 0.0000000 -1.6678725 0.0000000 -0.1305231 0.0000000 -2.8318538 26 O -1.8367902 0.3009232 0.1417541 0.2157456 -2.3649758 -0.0703700 0.0603777 -0.0378583 -1.7885736 27 O -1.8367902 -0.3009232 0.1417541 -0.2157456 -2.3649758 0.0703700 0.0603777 0.0378583 -1.7885736 28 O -2.5779881 0.0000000 -0.0949519 0.0000000 -1.8319435 0.0000000 -0.0507058 0.0000000 -1.9732963 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.590 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 10.997 ( 0.000 0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.802 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 18.489 ( 0.000 0.000 0.000) 0.000 18.561 ( 0.000 0.000 0.000) 0.000 18.656 ( 0.000 0.000 0.000) 0.000 18.803 ( 0.000 0.000 0.000) 0.000 18.914 ( 0.000 0.000 0.000) 0.000 18.985 ( 0.000 0.000 0.000) 0.000 19.171 ( 0.000 0.000 0.000) 0.000 19.742 ( 0.000 0.000 0.000) 0.000 19.945 ( 0.000 0.000 0.000) 0.000 20.212 ( 0.000 0.000 0.000) 0.000 20.275 ( 0.000 0.000 0.000) 0.000 20.473 ( 0.000 0.000 0.000) 0.000 20.662 ( 0.000 0.000 0.000) 0.000 20.685 ( 0.000 0.000 0.000) 0.000 20.827 ( 0.000 0.000 0.000) 0.000 20.837 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 21.953 0.000 0.000) 21.953 0.525 ( 26.189 0.000 0.000) 26.189 0.744 ( 36.403 0.000 0.000) 36.403 0.794 ( 15.183 0.000 0.000) 15.183 1.375 ( -13.912 0.000 0.000) 13.912 1.508 ( -20.547 0.000 0.000) 20.547 1.607 ( -10.460 0.000 0.000) 10.460 1.933 ( -15.555 0.000 0.000) 15.555 1.973 ( 9.909 0.000 0.000) 9.909 2.190 ( -3.035 0.000 0.000) 3.035 2.343 ( 3.884 0.000 0.000) 3.884 2.361 ( 13.528 0.000 0.000) 13.528 2.374 ( -2.056 0.000 0.000) 2.056 2.532 ( -6.919 0.000 0.000) 6.919 2.600 ( -6.072 0.000 0.000) 6.072 2.613 ( 7.401 0.000 0.000) 7.401 2.779 ( -5.905 0.000 0.000) 5.905 2.815 ( 4.596 0.000 0.000) 4.596 2.825 ( 0.392 0.000 0.000) 0.392 2.940 ( -1.368 0.000 0.000) 1.368 2.991 ( 1.244 0.000 0.000) 1.244 3.238 ( -11.878 0.000 0.000) 11.878 4.101 ( 10.968 0.000 0.000) 10.968 4.132 ( 5.744 0.000 0.000) 5.744 4.303 ( 0.542 0.000 0.000) 0.542 4.349 ( -1.711 0.000 0.000) 1.711 4.450 ( 0.350 0.000 0.000) 0.350 4.469 ( 3.143 0.000 0.000) 3.143 4.592 ( -2.185 0.000 0.000) 2.185 4.665 ( -9.096 0.000 0.000) 9.096 4.809 ( 1.382 0.000 0.000) 1.382 4.880 ( -1.551 0.000 0.000) 1.551 5.303 ( 3.402 0.000 0.000) 3.402 5.432 ( -2.045 0.000 0.000) 2.045 5.544 ( 2.748 0.000 0.000) 2.748 5.668 ( -1.562 0.000 0.000) 1.562 5.686 ( 1.234 0.000 0.000) 1.234 5.797 ( -4.409 0.000 0.000) 4.409 5.841 ( 7.635 0.000 0.000) 7.635 6.075 ( 2.127 0.000 0.000) 2.127 6.094 ( 9.214 0.000 0.000) 9.214 6.125 ( -4.255 0.000 0.000) 4.255 6.146 ( -1.204 0.000 0.000) 1.204 6.606 ( -11.497 0.000 0.000) 11.497 6.742 ( 2.773 0.000 0.000) 2.773 6.758 ( 2.299 0.000 0.000) 2.299 6.856 ( -1.846 0.000 0.000) 1.846 6.876 ( -1.831 0.000 0.000) 1.831 8.924 ( 0.221 0.000 0.000) 0.221 8.933 ( -0.122 0.000 0.000) 0.122 9.084 ( 0.189 0.000 0.000) 0.189 9.096 ( -0.297 0.000 0.000) 0.297 9.245 ( 1.315 0.000 0.000) 1.315 9.331 ( -2.643 0.000 0.000) 2.643 9.599 ( 7.528 0.000 0.000) 7.528 9.850 ( 1.021 0.000 0.000) 1.021 9.899 ( -0.934 0.000 0.000) 0.934 9.990 ( -8.968 0.000 0.000) 8.968 10.587 ( 0.750 0.000 0.000) 0.750 10.630 ( -1.523 0.000 0.000) 1.523 11.057 ( 4.654 0.000 0.000) 4.654 11.175 ( -1.057 0.000 0.000) 1.057 11.613 ( 3.388 0.000 0.000) 3.388 11.772 ( -2.913 0.000 0.000) 2.913 12.122 ( 1.628 0.000 0.000) 1.628 12.204 ( -1.610 0.000 0.000) 1.610 12.332 ( 0.869 0.000 0.000) 0.869 12.377 ( -0.915 0.000 0.000) 0.915 18.514 ( 2.373 0.000 0.000) 2.373 18.632 ( -2.315 0.000 0.000) 2.315 18.813 ( 0.958 0.000 0.000) 0.958 18.881 ( -2.269 0.000 0.000) 2.269 19.029 ( 3.325 0.000 0.000) 3.325 19.150 ( -2.016 0.000 0.000) 2.016 19.641 ( 1.788 0.000 0.000) 1.788 19.726 ( -1.597 0.000 0.000) 1.597 20.223 ( 1.101 0.000 0.000) 1.101 20.272 ( -0.542 0.000 0.000) 0.542 20.469 ( 0.014 0.000 0.000) 0.014 20.528 ( -1.964 0.000 0.000) 1.964 20.674 ( 0.986 0.000 0.000) 0.986 20.707 ( -0.455 0.000 0.000) 0.455 20.833 ( 0.474 0.000 0.000) 0.474 20.839 ( 0.151 0.000 0.000) 0.151 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -14.837 0.000 0.000) 14.837 0.834 ( 14.837 0.000 0.000) 14.837 1.018 ( -22.266 0.000 0.000) 22.266 1.018 ( 22.266 0.000 0.000) 22.266 1.345 ( -12.977 0.000 0.000) 12.977 1.345 ( 12.977 0.000 0.000) 12.977 1.464 ( -28.954 0.000 0.000) 28.954 1.464 ( 28.954 0.000 0.000) 28.954 2.116 ( -4.869 0.000 0.000) 4.869 2.116 ( 4.869 0.000 0.000) 4.869 2.394 ( -3.656 0.000 0.000) 3.656 2.394 ( 3.656 0.000 0.000) 3.656 2.461 ( -7.388 0.000 0.000) 7.388 2.461 ( 7.388 0.000 0.000) 7.388 2.626 ( -9.811 0.000 0.000) 9.811 2.626 ( 9.811 0.000 0.000) 9.811 2.754 ( -6.330 0.000 0.000) 6.330 2.754 ( 6.330 0.000 0.000) 6.330 2.895 ( -3.244 0.000 0.000) 3.244 2.895 ( 3.244 0.000 0.000) 3.244 3.060 ( -5.939 0.000 0.000) 5.939 3.060 ( 5.939 0.000 0.000) 5.939 4.224 ( -0.186 0.000 0.000) 0.186 4.224 ( 0.186 0.000 0.000) 0.186 4.320 ( -1.150 0.000 0.000) 1.150 4.320 ( 1.150 0.000 0.000) 1.150 4.493 ( -5.874 0.000 0.000) 5.874 4.493 ( 5.874 0.000 0.000) 5.874 4.535 ( -3.348 0.000 0.000) 3.348 4.535 ( 3.348 0.000 0.000) 3.348 4.843 ( -1.948 0.000 0.000) 1.948 4.843 ( 1.948 0.000 0.000) 1.948 5.375 ( -3.555 0.000 0.000) 3.555 5.375 ( 3.555 0.000 0.000) 3.555 5.614 ( -3.772 0.000 0.000) 3.772 5.614 ( 3.772 0.000 0.000) 3.772 5.723 ( -2.681 0.000 0.000) 2.681 5.723 ( 2.681 0.000 0.000) 2.681 6.004 ( -7.744 0.000 0.000) 7.744 6.004 ( 7.744 0.000 0.000) 7.744 6.115 ( -1.863 0.000 0.000) 1.863 6.115 ( 1.863 0.000 0.000) 1.863 6.337 ( -14.383 0.000 0.000) 14.383 6.337 ( 14.383 0.000 0.000) 14.383 6.804 ( -3.177 0.000 0.000) 3.177 6.804 ( 3.177 0.000 0.000) 3.177 6.818 ( -3.498 0.000 0.000) 3.498 6.818 ( 3.498 0.000 0.000) 3.498 8.929 ( -0.250 0.000 0.000) 0.250 8.929 ( 0.250 0.000 0.000) 0.250 9.089 ( -0.351 0.000 0.000) 0.351 9.089 ( 0.351 0.000 0.000) 0.351 9.281 ( -2.257 0.000 0.000) 2.257 9.281 ( 2.257 0.000 0.000) 2.257 9.785 ( -10.710 0.000 0.000) 10.710 9.785 ( 10.710 0.000 0.000) 10.710 9.875 ( -1.381 0.000 0.000) 1.381 9.875 ( 1.381 0.000 0.000) 1.381 10.605 ( -1.067 0.000 0.000) 1.067 10.605 ( 1.067 0.000 0.000) 1.067 11.136 ( -2.983 0.000 0.000) 2.983 11.136 ( 2.983 0.000 0.000) 2.983 11.696 ( -4.488 0.000 0.000) 4.488 11.696 ( 4.488 0.000 0.000) 4.488 12.163 ( -2.331 0.000 0.000) 2.331 12.163 ( 2.331 0.000 0.000) 2.331 12.355 ( -1.261 0.000 0.000) 1.261 12.355 ( 1.261 0.000 0.000) 1.261 18.573 ( -3.316 0.000 0.000) 3.316 18.573 ( 3.316 0.000 0.000) 3.316 18.840 ( -1.775 0.000 0.000) 1.775 18.840 ( 1.775 0.000 0.000) 1.775 19.096 ( -3.270 0.000 0.000) 3.270 19.096 ( 3.270 0.000 0.000) 3.270 19.685 ( -2.397 0.000 0.000) 2.397 19.685 ( 2.397 0.000 0.000) 2.397 20.251 ( -1.459 0.000 0.000) 1.459 20.251 ( 1.459 0.000 0.000) 1.459 20.487 ( -1.760 0.000 0.000) 1.760 20.487 ( 1.760 0.000 0.000) 1.760 20.693 ( -0.877 0.000 0.000) 0.877 20.693 ( 0.877 0.000 0.000) 0.877 20.840 ( -0.147 0.000 0.000) 0.147 20.840 ( 0.147 0.000 0.000) 0.147 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 22.262 0.000) 22.262 0.563 ( 0.000 26.283 0.000) 26.283 0.752 ( 0.000 12.653 0.000) 12.653 0.941 ( 0.000 42.389 0.000) 42.389 1.649 ( 0.000 4.365 0.000) 4.365 1.669 ( 0.000 -7.637 0.000) 7.637 1.710 ( 0.000 -1.751 0.000) 1.751 1.787 ( 0.000 3.092 0.000) 3.092 2.162 ( 0.000 1.622 0.000) 1.622 2.239 ( 0.000 1.925 0.000) 1.925 2.256 ( 0.000 -6.149 0.000) 6.149 2.265 ( 0.000 10.319 0.000) 10.319 2.426 ( 0.000 0.377 0.000) 0.377 2.514 ( 0.000 2.931 0.000) 2.931 2.599 ( 0.000 -3.306 0.000) 3.306 2.615 ( 0.000 -2.317 0.000) 2.317 2.723 ( 0.000 -4.710 0.000) 4.710 2.808 ( 0.000 -2.695 0.000) 2.695 2.812 ( 0.000 4.234 0.000) 4.234 2.880 ( 0.000 4.007 0.000) 4.007 2.962 ( 0.000 0.789 0.000) 0.789 3.489 ( 0.000 5.345 0.000) 5.345 3.816 ( 0.000 -7.188 0.000) 7.188 3.868 ( 0.000 -13.734 0.000) 13.734 4.414 ( 0.000 2.484 0.000) 2.484 4.416 ( 0.000 7.719 0.000) 7.719 4.438 ( 0.000 -0.360 0.000) 0.360 4.481 ( 0.000 -6.105 0.000) 6.105 4.802 ( 0.000 0.948 0.000) 0.948 4.826 ( 0.000 -0.084 0.000) 0.084 4.858 ( 0.000 1.872 0.000) 1.872 4.904 ( 0.000 0.969 0.000) 0.969 5.238 ( 0.000 0.191 0.000) 0.191 5.307 ( 0.000 -2.598 0.000) 2.598 5.379 ( 0.000 -8.144 0.000) 8.144 5.508 ( 0.000 -10.187 0.000) 10.187 5.675 ( 0.000 10.506 0.000) 10.506 5.792 ( 0.000 -2.871 0.000) 2.871 5.886 ( 0.000 6.013 0.000) 6.013 6.039 ( 0.000 5.588 0.000) 5.588 6.042 ( 0.000 -0.518 0.000) 0.518 6.131 ( 0.000 0.650 0.000) 0.650 6.180 ( 0.000 2.602 0.000) 2.602 6.577 ( 0.000 -5.390 0.000) 5.390 6.673 ( 0.000 -5.490 0.000) 5.490 6.872 ( 0.000 6.758 0.000) 6.758 6.876 ( 0.000 -0.605 0.000) 0.605 6.893 ( 0.000 0.664 0.000) 0.664 8.885 ( 0.000 -2.792 0.000) 2.792 8.965 ( 0.000 2.540 0.000) 2.540 9.045 ( 0.000 -2.444 0.000) 2.444 9.050 ( 0.000 -4.198 0.000) 4.198 9.340 ( 0.000 8.655 0.000) 8.655 9.397 ( 0.000 1.954 0.000) 1.954 9.486 ( 0.000 -2.316 0.000) 2.316 9.926 ( 0.000 0.819 0.000) 0.819 9.944 ( 0.000 3.660 0.000) 3.660 10.483 ( 0.000 6.430 0.000) 6.430 10.598 ( 0.000 0.704 0.000) 0.704 10.779 ( 0.000 -1.408 0.000) 1.408 10.961 ( 0.000 -3.228 0.000) 3.228 11.164 ( 0.000 -0.920 0.000) 0.920 11.472 ( 0.000 -8.534 0.000) 8.534 11.755 ( 0.000 -4.463 0.000) 4.463 11.973 ( 0.000 5.523 0.000) 5.523 12.215 ( 0.000 -0.295 0.000) 0.295 12.314 ( 0.000 -0.842 0.000) 0.842 12.367 ( 0.000 -1.847 0.000) 1.847 18.479 ( 0.000 -0.904 0.000) 0.904 18.515 ( 0.000 -3.248 0.000) 3.248 18.611 ( 0.000 -2.659 0.000) 2.659 18.812 ( 0.000 -7.806 0.000) 7.806 19.157 ( 0.000 13.909 0.000) 13.909 19.294 ( 0.000 10.283 0.000) 10.283 19.816 ( 0.000 5.827 0.000) 5.827 19.975 ( 0.000 2.826 0.000) 2.826 20.167 ( 0.000 -4.135 0.000) 4.135 20.245 ( 0.000 -3.206 0.000) 3.206 20.419 ( 0.000 -4.794 0.000) 4.794 20.488 ( 0.000 -4.160 0.000) 4.160 20.678 ( 0.000 1.378 0.000) 1.378 20.695 ( 0.000 0.959 0.000) 0.959 20.819 ( 0.000 -0.797 0.000) 0.797 20.826 ( 0.000 -1.019 0.000) 1.019 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 9.404 13.763 0.000) 16.669 0.756 ( 16.474 18.289 0.000) 24.615 0.904 ( 12.404 8.638 0.000) 15.115 1.245 ( 22.037 32.130 0.000) 38.961 1.309 ( -17.169 -3.868 0.000) 17.600 1.559 ( -17.211 3.497 0.000) 17.563 1.610 ( -10.419 0.792 0.000) 10.449 1.912 ( 6.840 1.077 0.000) 6.924 2.183 ( -5.845 8.561 0.000) 10.366 2.196 ( -2.885 0.437 0.000) 2.918 2.313 ( 11.531 -1.666 0.000) 11.651 2.322 ( 2.637 2.819 0.000) 3.860 2.405 ( 1.480 0.875 0.000) 1.719 2.522 ( -5.062 -0.308 0.000) 5.071 2.575 ( 4.761 -2.268 0.000) 5.274 2.622 ( -2.916 0.734 0.000) 3.007 2.746 ( -5.637 -2.045 0.000) 5.997 2.749 ( 0.104 -6.335 0.000) 6.336 2.850 ( 3.770 3.375 0.000) 5.060 2.954 ( -0.935 1.039 0.000) 1.398 2.957 ( 5.811 0.383 0.000) 5.823 3.291 ( -13.149 4.660 0.000) 13.950 3.914 ( 4.895 -9.864 0.000) 11.011 3.918 ( 3.845 -12.167 0.000) 12.760 4.362 ( -3.264 -2.114 0.000) 3.889 4.414 ( 0.396 -0.973 0.000) 1.051 4.417 ( -0.956 -2.904 0.000) 3.058 4.516 ( 3.199 4.220 0.000) 5.296 4.689 ( -4.567 8.430 0.000) 9.587 4.718 ( -9.294 0.720 0.000) 9.322 4.848 ( 1.528 4.112 0.000) 4.387 4.890 ( -0.956 1.440 0.000) 1.728 5.232 ( 1.001 -4.713 0.000) 4.818 5.328 ( -1.910 -7.543 0.000) 7.781 5.565 ( 9.580 -8.429 0.000) 12.760 5.640 ( 9.502 -2.822 0.000) 9.913 5.680 ( 0.949 5.537 0.000) 5.618 5.824 ( 2.695 0.074 0.000) 2.696 5.872 ( -2.019 6.202 0.000) 6.522 6.019 ( -2.400 -2.389 0.000) 3.387 6.074 ( 2.392 0.506 0.000) 2.444 6.109 ( -1.735 0.718 0.000) 1.878 6.218 ( 5.149 5.789 0.000) 7.748 6.561 ( -3.252 -2.616 0.000) 4.173 6.690 ( 1.385 -5.611 0.000) 5.780 6.763 ( -5.959 1.110 0.000) 6.061 6.873 ( -0.047 0.302 0.000) 0.306 6.921 ( -0.548 3.189 0.000) 3.236 8.893 ( 0.851 -2.277 0.000) 2.431 8.949 ( -1.465 1.155 0.000) 1.866 9.049 ( 0.328 -2.307 0.000) 2.330 9.057 ( 0.342 -3.834 0.000) 3.850 9.328 ( -0.736 7.650 0.000) 7.686 9.354 ( -2.254 1.709 0.000) 2.829 9.596 ( 8.538 -0.609 0.000) 8.560 9.867 ( -4.226 1.011 0.000) 4.345 9.949 ( 0.778 4.767 0.000) 4.831 10.268 ( -16.793 13.348 0.000) 21.452 10.607 ( 0.880 0.966 0.000) 1.307 10.656 ( -2.958 1.896 0.000) 3.513 11.019 ( 4.501 -3.181 0.000) 5.511 11.150 ( -1.510 -1.388 0.000) 2.051 11.554 ( 4.917 -6.403 0.000) 8.073 11.726 ( -2.863 -4.454 0.000) 5.295 12.068 ( 5.392 -0.259 0.000) 5.398 12.198 ( -1.710 -0.258 0.000) 1.730 12.322 ( 0.743 -0.968 0.000) 1.221 12.360 ( -0.722 -1.668 0.000) 1.817 18.500 ( 2.158 -1.002 0.000) 2.379 18.595 ( -1.605 -2.235 0.000) 2.752 18.636 ( 7.510 -8.601 0.000) 11.418 18.797 ( -1.577 -7.537 0.000) 7.700 19.172 ( 1.469 13.084 0.000) 13.166 19.267 ( -2.446 11.014 0.000) 11.283 19.804 ( -1.026 6.066 0.000) 6.152 19.843 ( -6.367 9.092 0.000) 11.100 20.180 ( 1.209 -4.124 0.000) 4.297 20.239 ( -0.825 -3.429 0.000) 3.527 20.418 ( 0.278 -4.613 0.000) 4.621 20.482 ( -1.492 -4.338 0.000) 4.587 20.690 ( 1.000 1.366 0.000) 1.693 20.711 ( 0.559 0.656 0.000) 0.862 20.825 ( 0.483 -0.769 0.000) 0.908 20.829 ( 0.229 -0.942 0.000) 0.969 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -17.220 2.051 0.000) 17.342 0.818 ( 17.220 2.051 0.000) 17.342 1.162 ( -19.779 11.192 0.000) 22.725 1.162 ( 19.779 11.192 0.000) 22.725 1.293 ( -13.976 -1.190 0.000) 14.027 1.293 ( 13.976 -1.190 0.000) 14.027 1.762 ( -20.063 19.532 0.000) 28.000 1.762 ( 20.063 19.532 0.000) 28.000 2.134 ( -2.459 1.674 0.000) 2.975 2.134 ( 2.459 1.674 0.000) 2.975 2.427 ( -5.532 0.065 0.000) 5.532 2.427 ( 5.532 0.065 0.000) 5.532 2.452 ( -1.577 1.164 0.000) 1.960 2.452 ( 1.577 1.164 0.000) 1.960 2.599 ( -5.361 -1.101 0.000) 5.473 2.599 ( 5.361 -1.101 0.000) 5.473 2.695 ( -4.510 -4.271 0.000) 6.212 2.695 ( 4.510 -4.271 0.000) 6.212 2.920 ( -2.692 1.859 0.000) 3.272 2.920 ( 2.692 1.859 0.000) 3.272 3.083 ( -7.728 2.202 0.000) 8.036 3.083 ( 7.728 2.202 0.000) 8.036 3.962 ( -0.051 -11.455 0.000) 11.455 3.962 ( 0.051 -11.455 0.000) 11.455 4.378 ( -2.756 -4.947 0.000) 5.662 4.378 ( 2.756 -4.947 0.000) 5.662 4.476 ( -6.585 -3.584 0.000) 7.497 4.476 ( 6.585 -3.584 0.000) 7.497 4.633 ( -1.863 9.230 0.000) 9.416 4.633 ( 1.863 9.230 0.000) 9.416 4.873 ( -0.881 3.493 0.000) 3.603 4.873 ( 0.881 3.493 0.000) 3.603 5.277 ( -2.894 -7.048 0.000) 7.619 5.277 ( 2.894 -7.048 0.000) 7.619 5.665 ( -1.928 -0.020 0.000) 1.928 5.665 ( 1.928 -0.020 0.000) 1.928 5.806 ( -4.885 5.444 0.000) 7.314 5.806 ( 4.885 5.444 0.000) 7.314 5.917 ( -6.945 -3.337 0.000) 7.705 5.917 ( 6.945 -3.337 0.000) 7.705 6.095 ( -0.111 -0.822 0.000) 0.829 6.095 ( 0.111 -0.822 0.000) 0.829 6.398 ( -11.295 5.011 0.000) 12.357 6.398 ( 11.295 5.011 0.000) 12.357 6.710 ( -0.635 -5.352 0.000) 5.390 6.710 ( 0.635 -5.352 0.000) 5.390 6.888 ( -1.777 2.419 0.000) 3.001 6.888 ( 1.777 2.419 0.000) 3.001 8.917 ( -1.522 -0.912 0.000) 1.774 8.917 ( 1.522 -0.912 0.000) 1.774 9.056 ( -0.334 -2.737 0.000) 2.757 9.056 ( 0.334 -2.737 0.000) 2.757 9.326 ( -0.657 4.233 0.000) 4.284 9.326 ( 0.657 4.233 0.000) 4.284 9.767 ( -7.196 -0.637 0.000) 7.224 9.767 ( 7.196 -0.637 0.000) 7.224 10.013 ( -7.528 9.429 0.000) 12.065 10.013 ( 7.528 9.429 0.000) 12.065 10.627 ( -1.008 1.484 0.000) 1.793 10.627 ( 1.008 1.484 0.000) 1.793 11.101 ( -3.435 -2.449 0.000) 4.219 11.101 ( 3.435 -2.449 0.000) 4.219 11.649 ( -4.618 -4.674 0.000) 6.571 11.649 ( 4.618 -4.674 0.000) 6.571 12.150 ( -3.175 -0.360 0.000) 3.196 12.150 ( 3.175 -0.360 0.000) 3.196 12.341 ( -1.077 -1.286 0.000) 1.678 12.341 ( 1.077 -1.286 0.000) 1.678 18.551 ( -2.678 -1.433 0.000) 3.037 18.551 ( 2.678 -1.433 0.000) 3.037 18.745 ( -3.774 -7.903 0.000) 8.758 18.745 ( 3.774 -7.903 0.000) 8.758 19.213 ( -2.638 11.782 0.000) 12.074 19.213 ( 2.638 11.782 0.000) 12.074 19.789 ( -0.094 7.297 0.000) 7.298 19.789 ( 0.094 7.297 0.000) 7.298 20.211 ( -1.751 -3.898 0.000) 4.274 20.211 ( 1.751 -3.898 0.000) 4.274 20.442 ( -2.007 -4.260 0.000) 4.709 20.442 ( 2.007 -4.260 0.000) 4.709 20.708 ( -0.706 1.237 0.000) 1.424 20.708 ( 0.706 1.237 0.000) 1.424 20.831 ( -0.083 -0.806 0.000) 0.810 20.831 ( 0.083 -0.806 0.000) 0.810 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 19.784 0.000) 19.784 1.041 ( 0.000 13.231 0.000) 13.231 1.115 ( 0.000 24.971 0.000) 24.971 1.502 ( 0.000 -8.337 0.000) 8.337 1.594 ( 0.000 -9.297 0.000) 9.297 1.777 ( 0.000 34.442 0.000) 34.442 1.791 ( 0.000 7.737 0.000) 7.737 1.900 ( 0.000 7.526 0.000) 7.526 2.030 ( 0.000 -13.827 0.000) 13.827 2.195 ( 0.000 0.202 0.000) 0.202 2.219 ( 0.000 -8.251 0.000) 8.251 2.309 ( 0.000 3.634 0.000) 3.634 2.506 ( 0.000 -5.016 0.000) 5.016 2.545 ( 0.000 -4.878 0.000) 4.878 2.609 ( 0.000 4.966 0.000) 4.966 2.618 ( 0.000 -2.469 0.000) 2.469 2.655 ( 0.000 13.589 0.000) 13.589 2.755 ( 0.000 -1.987 0.000) 1.987 2.860 ( 0.000 -1.447 0.000) 1.447 2.969 ( 0.000 -0.853 0.000) 0.853 3.001 ( 0.000 6.954 0.000) 6.954 3.509 ( 0.000 -18.166 0.000) 18.166 3.588 ( 0.000 2.979 0.000) 2.979 3.690 ( 0.000 -4.196 0.000) 4.196 4.447 ( 0.000 1.148 0.000) 1.148 4.459 ( 0.000 1.577 0.000) 1.577 4.464 ( 0.000 4.827 0.000) 4.827 4.547 ( 0.000 3.917 0.000) 3.917 4.778 ( 0.000 -2.390 0.000) 2.390 4.848 ( 0.000 3.559 0.000) 3.559 4.914 ( 0.000 3.535 0.000) 3.535 4.938 ( 0.000 1.012 0.000) 1.012 5.177 ( 0.000 -9.621 0.000) 9.621 5.206 ( 0.000 -6.568 0.000) 6.568 5.246 ( 0.000 -0.920 0.000) 0.920 5.262 ( 0.000 -11.218 0.000) 11.218 5.729 ( 0.000 -0.894 0.000) 0.894 5.815 ( 0.000 0.942 0.000) 0.942 5.982 ( 0.000 1.993 0.000) 1.993 6.025 ( 0.000 -0.972 0.000) 0.972 6.184 ( 0.000 6.942 0.000) 6.942 6.213 ( 0.000 7.007 0.000) 7.007 6.320 ( 0.000 10.229 0.000) 10.229 6.474 ( 0.000 -4.571 0.000) 4.571 6.525 ( 0.000 -7.023 0.000) 7.023 6.811 ( 0.000 -6.043 0.000) 6.043 6.921 ( 0.000 1.992 0.000) 1.992 6.973 ( 0.000 2.211 0.000) 2.211 8.845 ( 0.000 -0.597 0.000) 0.597 8.947 ( 0.000 -4.790 0.000) 4.790 9.012 ( 0.000 -0.364 0.000) 0.364 9.016 ( 0.000 1.557 0.000) 1.557 9.424 ( 0.000 0.333 0.000) 0.333 9.436 ( 0.000 -1.817 0.000) 1.817 9.556 ( 0.000 10.848 0.000) 10.848 9.908 ( 0.000 -3.283 0.000) 3.283 10.081 ( 0.000 9.187 0.000) 9.187 10.538 ( 0.000 -7.225 0.000) 7.225 10.659 ( 0.000 8.054 0.000) 8.054 10.780 ( 0.000 3.554 0.000) 3.554 10.870 ( 0.000 -4.917 0.000) 4.917 11.210 ( 0.000 6.126 0.000) 6.126 11.249 ( 0.000 -11.833 0.000) 11.833 11.612 ( 0.000 -8.749 0.000) 8.749 12.099 ( 0.000 5.873 0.000) 5.873 12.220 ( 0.000 0.851 0.000) 0.851 12.288 ( 0.000 -1.607 0.000) 1.607 12.309 ( 0.000 -3.562 0.000) 3.562 18.455 ( 0.000 -1.113 0.000) 1.113 18.457 ( 0.000 -1.848 0.000) 1.848 18.570 ( 0.000 -1.039 0.000) 1.039 18.654 ( 0.000 -5.880 0.000) 5.880 19.506 ( 0.000 17.439 0.000) 17.439 19.556 ( 0.000 13.213 0.000) 13.213 19.957 ( 0.000 6.969 0.000) 6.969 20.037 ( 0.000 -7.992 0.000) 7.992 20.065 ( 0.000 5.476 0.000) 5.476 20.119 ( 0.000 -8.785 0.000) 8.785 20.284 ( 0.000 -7.380 0.000) 7.380 20.364 ( 0.000 -7.060 0.000) 7.060 20.715 ( 0.000 1.944 0.000) 1.944 20.723 ( 0.000 1.584 0.000) 1.584 20.794 ( 0.000 -1.432 0.000) 1.432 20.796 ( 0.000 -1.675 0.000) 1.675 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -2.794 17.857 0.000) 18.075 1.083 ( 4.252 7.430 0.000) 8.561 1.186 ( 0.540 15.305 0.000) 15.314 1.276 ( -7.609 5.025 0.000) 9.119 1.475 ( -10.516 -8.239 0.000) 13.359 1.746 ( -13.172 10.648 0.000) 16.938 1.934 ( 5.675 -2.677 0.000) 6.274 1.937 ( 12.162 26.526 0.000) 29.181 2.104 ( 8.352 -5.488 0.000) 9.994 2.178 ( -2.471 -2.422 0.000) 3.460 2.313 ( 7.457 -7.736 0.000) 10.745 2.334 ( 3.985 2.710 0.000) 4.818 2.498 ( 0.086 -2.188 0.000) 2.190 2.590 ( -1.531 8.123 0.000) 8.266 2.604 ( 3.409 -4.798 0.000) 5.886 2.623 ( -3.898 9.876 0.000) 10.618 2.634 ( 0.138 0.584 0.000) 0.600 2.721 ( -2.714 0.266 0.000) 2.727 2.892 ( 2.609 -1.361 0.000) 2.943 2.964 ( -0.661 -0.925 0.000) 1.137 3.039 ( 4.322 7.166 0.000) 8.368 3.418 ( -12.528 6.914 0.000) 14.310 3.596 ( 7.576 -17.334 0.000) 18.917 3.738 ( 1.537 -7.262 0.000) 7.423 4.349 ( -6.797 0.712 0.000) 6.834 4.355 ( -5.459 0.372 0.000) 5.472 4.390 ( -4.500 -0.948 0.000) 4.599 4.543 ( -7.261 -3.814 0.000) 8.202 4.755 ( 0.204 3.653 0.000) 3.658 4.809 ( -2.023 5.056 0.000) 5.446 4.945 ( 1.682 1.427 0.000) 2.206 4.960 ( 2.988 5.125 0.000) 5.933 5.135 ( -1.573 -1.807 0.000) 2.396 5.155 ( -1.254 -7.658 0.000) 7.760 5.358 ( 10.050 -10.259 0.000) 14.361 5.480 ( 9.050 -10.318 0.000) 13.725 5.733 ( 1.644 2.141 0.000) 2.700 5.863 ( 4.198 -1.008 0.000) 4.318 5.956 ( -3.121 1.204 0.000) 3.345 6.002 ( -2.077 -0.596 0.000) 2.161 6.180 ( -0.200 8.650 0.000) 8.653 6.200 ( -1.135 8.006 0.000) 8.086 6.388 ( 6.593 9.991 0.000) 11.971 6.492 ( 1.551 -4.229 0.000) 4.504 6.541 ( 1.249 -7.540 0.000) 7.643 6.808 ( -9.345 3.569 0.000) 10.003 6.825 ( 1.728 -5.334 0.000) 5.607 6.961 ( -2.494 -0.259 0.000) 2.508 8.860 ( 1.546 -0.440 0.000) 1.607 8.959 ( 1.127 -4.616 0.000) 4.751 8.969 ( -3.180 0.688 0.000) 3.254 9.011 ( -1.038 -1.249 0.000) 1.624 9.403 ( 1.155 3.086 0.000) 3.295 9.528 ( -2.828 10.208 0.000) 10.592 9.561 ( 8.498 -2.747 0.000) 8.931 9.856 ( -4.806 -2.866 0.000) 5.596 10.106 ( 2.896 9.794 0.000) 10.213 10.474 ( -14.465 7.083 0.000) 16.106 10.558 ( 1.909 -6.699 0.000) 6.965 10.689 ( -5.148 -0.302 0.000) 5.157 10.975 ( 7.246 1.564 0.000) 7.413 11.184 ( -2.673 5.679 0.000) 6.277 11.360 ( 7.696 -10.833 0.000) 13.288 11.581 ( -3.038 -8.842 0.000) 9.349 12.125 ( 2.255 4.343 0.000) 4.894 12.207 ( -1.253 1.222 0.000) 1.750 12.291 ( 0.330 -1.879 0.000) 1.908 12.307 ( -0.237 -3.275 0.000) 3.284 18.478 ( 2.235 -0.880 0.000) 2.402 18.511 ( 4.469 -3.476 0.000) 5.662 18.560 ( -1.058 -0.879 0.000) 1.375 18.643 ( -1.304 -5.711 0.000) 5.858 19.511 ( 0.520 17.136 0.000) 17.144 19.548 ( -0.800 14.062 0.000) 14.085 19.949 ( -0.629 7.154 0.000) 7.182 20.005 ( -4.265 7.083 0.000) 8.268 20.048 ( 1.116 -8.042 0.000) 8.119 20.110 ( -1.057 -8.783 0.000) 8.847 20.284 ( 0.309 -7.587 0.000) 7.594 20.349 ( -1.686 -7.731 0.000) 7.913 20.726 ( 0.876 1.838 0.000) 2.037 20.735 ( 0.752 1.447 0.000) 1.631 20.802 ( 0.432 -1.533 0.000) 1.593 20.802 ( 0.526 -1.383 0.000) 1.480 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -9.904 8.411 0.000) 12.993 0.943 ( 9.904 8.411 0.000) 12.993 1.251 ( -10.571 -3.627 0.000) 11.176 1.251 ( 10.571 -3.627 0.000) 11.176 1.462 ( -14.208 16.011 0.000) 21.406 1.462 ( 14.208 16.011 0.000) 21.406 2.020 ( -3.545 -1.790 0.000) 3.971 2.020 ( 3.545 -1.790 0.000) 3.971 2.205 ( -1.742 5.405 0.000) 5.679 2.205 ( 1.742 5.405 0.000) 5.679 2.413 ( -0.715 -2.647 0.000) 2.742 2.413 ( 0.715 -2.647 0.000) 2.742 2.511 ( -2.825 6.288 0.000) 6.893 2.511 ( 2.825 6.288 0.000) 6.893 2.595 ( -1.611 2.644 0.000) 3.096 2.595 ( 1.611 2.644 0.000) 3.096 2.667 ( -2.602 2.124 0.000) 3.358 2.667 ( 2.602 2.124 0.000) 3.358 2.939 ( -1.865 -1.168 0.000) 2.201 2.939 ( 1.865 -1.168 0.000) 2.201 3.182 ( -10.120 7.852 0.000) 12.809 3.182 ( 10.120 7.852 0.000) 12.809 3.724 ( -3.580 -12.399 0.000) 12.906 3.724 ( 3.580 -12.399 0.000) 12.906 4.292 ( -0.958 -1.832 0.000) 2.068 4.292 ( 0.958 -1.832 0.000) 2.068 4.373 ( -5.016 -4.719 0.000) 6.887 4.373 ( 5.016 -4.719 0.000) 6.887 4.777 ( -1.357 5.296 0.000) 5.467 4.777 ( 1.357 5.296 0.000) 5.467 4.983 ( -0.978 3.597 0.000) 3.727 4.983 ( 0.978 3.597 0.000) 3.727 5.134 ( -0.719 -3.327 0.000) 3.404 5.134 ( 0.719 -3.327 0.000) 3.404 5.512 ( -4.652 -11.623 0.000) 12.520 5.512 ( 4.652 -11.623 0.000) 12.520 5.845 ( -7.689 1.891 0.000) 7.918 5.845 ( 7.689 1.891 0.000) 7.918 5.946 ( -3.680 -1.046 0.000) 3.826 5.946 ( 3.680 -1.046 0.000) 3.826 6.182 ( -0.478 9.433 0.000) 9.445 6.182 ( 0.478 9.433 0.000) 9.445 6.511 ( -1.302 1.365 0.000) 1.887 6.511 ( 1.302 1.365 0.000) 1.887 6.605 ( -8.890 -0.226 0.000) 8.893 6.605 ( 8.890 -0.226 0.000) 8.893 6.886 ( -4.196 -3.128 0.000) 5.234 6.886 ( 4.196 -3.128 0.000) 5.234 8.905 ( -2.931 0.048 0.000) 2.932 8.905 ( 2.931 0.048 0.000) 2.932 8.985 ( -1.418 -3.449 0.000) 3.729 8.985 ( 1.418 -3.449 0.000) 3.729 9.457 ( -3.775 7.487 0.000) 8.385 9.457 ( 3.775 7.487 0.000) 8.385 9.731 ( -7.846 -3.374 0.000) 8.541 9.731 ( 7.846 -3.374 0.000) 8.541 10.221 ( -9.482 9.954 0.000) 13.747 10.221 ( 9.482 9.954 0.000) 13.747 10.609 ( -3.202 -4.664 0.000) 5.658 10.609 ( 3.202 -4.664 0.000) 5.658 11.104 ( -5.412 4.349 0.000) 6.943 11.104 ( 5.412 4.349 0.000) 6.943 11.494 ( -5.692 -9.396 0.000) 10.986 11.494 ( 5.692 -9.396 0.000) 10.986 12.172 ( -2.217 2.356 0.000) 3.236 12.172 ( 2.217 2.356 0.000) 3.236 12.299 ( -0.447 -2.562 0.000) 2.600 12.299 ( 0.447 -2.562 0.000) 2.600 18.527 ( -2.287 -0.696 0.000) 2.391 18.527 ( 2.287 -0.696 0.000) 2.391 18.596 ( -3.511 -5.105 0.000) 6.196 18.596 ( 3.511 -5.105 0.000) 6.196 19.528 ( -1.115 15.921 0.000) 15.960 19.528 ( 1.115 15.921 0.000) 15.960 19.949 ( -1.139 7.600 0.000) 7.685 19.949 ( 1.139 7.600 0.000) 7.685 20.079 ( -1.822 -8.462 0.000) 8.656 20.079 ( 1.822 -8.462 0.000) 8.656 20.308 ( -2.022 -7.986 0.000) 8.238 20.308 ( 2.022 -7.986 0.000) 8.238 20.740 ( -0.346 1.607 0.000) 1.644 20.740 ( 0.346 1.607 0.000) 1.644 20.807 ( -0.042 -1.372 0.000) 1.372 20.807 ( 0.042 -1.372 0.000) 1.372 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 -10.741 0.000) 10.741 1.299 ( 0.000 10.741 0.000) 10.741 1.323 ( 0.000 -15.584 0.000) 15.584 1.323 ( 0.000 15.584 0.000) 15.584 1.612 ( 0.000 -20.773 0.000) 20.773 1.612 ( 0.000 20.773 0.000) 20.773 2.023 ( 0.000 -9.373 0.000) 9.373 2.023 ( 0.000 9.373 0.000) 9.373 2.085 ( 0.000 -8.360 0.000) 8.360 2.085 ( 0.000 8.360 0.000) 8.360 2.350 ( 0.000 -15.856 0.000) 15.856 2.350 ( 0.000 15.856 0.000) 15.856 2.397 ( 0.000 -5.029 0.000) 5.029 2.397 ( 0.000 5.029 0.000) 5.029 2.698 ( 0.000 -3.182 0.000) 3.182 2.698 ( 0.000 3.182 0.000) 3.182 2.711 ( 0.000 -10.049 0.000) 10.049 2.711 ( 0.000 10.049 0.000) 10.049 2.890 ( 0.000 -7.187 0.000) 7.187 2.890 ( 0.000 7.187 0.000) 7.187 3.183 ( 0.000 -11.040 0.000) 11.040 3.183 ( 0.000 11.040 0.000) 11.040 3.630 ( 0.000 -1.818 0.000) 1.818 3.630 ( 0.000 1.818 0.000) 1.818 4.471 ( 0.000 -0.583 0.000) 0.583 4.471 ( 0.000 0.583 0.000) 0.583 4.577 ( 0.000 -1.865 0.000) 1.865 4.577 ( 0.000 1.865 0.000) 1.865 4.825 ( 0.000 -8.376 0.000) 8.376 4.825 ( 0.000 8.376 0.000) 8.376 4.952 ( 0.000 -4.611 0.000) 4.611 4.952 ( 0.000 4.611 0.000) 4.611 5.065 ( 0.000 -4.138 0.000) 4.138 5.065 ( 0.000 4.138 0.000) 4.138 5.190 ( 0.000 -3.102 0.000) 3.102 5.190 ( 0.000 3.102 0.000) 3.102 5.765 ( 0.000 -3.518 0.000) 3.518 5.765 ( 0.000 3.518 0.000) 3.518 6.005 ( 0.000 -0.798 0.000) 0.798 6.005 ( 0.000 0.798 0.000) 0.798 6.331 ( 0.000 -6.783 0.000) 6.783 6.331 ( 0.000 6.783 0.000) 6.783 6.364 ( 0.000 -6.120 0.000) 6.120 6.364 ( 0.000 6.120 0.000) 6.120 6.616 ( 0.000 -11.500 0.000) 11.500 6.616 ( 0.000 11.500 0.000) 11.500 6.969 ( 0.000 -1.955 0.000) 1.955 6.969 ( 0.000 1.955 0.000) 1.955 8.865 ( 0.000 -2.518 0.000) 2.518 8.865 ( 0.000 2.518 0.000) 2.518 9.022 ( 0.000 -0.705 0.000) 0.705 9.022 ( 0.000 0.705 0.000) 0.705 9.420 ( 0.000 -0.173 0.000) 0.173 9.420 ( 0.000 0.173 0.000) 0.173 9.775 ( 0.000 -8.861 0.000) 8.861 9.775 ( 0.000 8.861 0.000) 8.861 10.317 ( 0.000 -11.964 0.000) 11.964 10.317 ( 0.000 11.964 0.000) 11.964 10.767 ( 0.000 -4.297 0.000) 4.297 10.767 ( 0.000 4.297 0.000) 4.297 10.983 ( 0.000 -12.514 0.000) 12.514 10.983 ( 0.000 12.514 0.000) 12.514 11.400 ( 0.000 -10.363 0.000) 10.363 11.400 ( 0.000 10.363 0.000) 10.363 12.217 ( 0.000 -4.981 0.000) 4.981 12.217 ( 0.000 4.981 0.000) 4.981 12.250 ( 0.000 -1.786 0.000) 1.786 12.250 ( 0.000 1.786 0.000) 1.786 18.440 ( 0.000 -0.149 0.000) 0.149 18.440 ( 0.000 0.149 0.000) 0.149 18.574 ( 0.000 -1.697 0.000) 1.697 18.574 ( 0.000 1.697 0.000) 1.697 19.827 ( 0.000 -11.539 0.000) 11.539 19.827 ( 0.000 11.539 0.000) 11.539 19.859 ( 0.000 -14.709 0.000) 14.709 19.859 ( 0.000 14.709 0.000) 14.709 20.120 ( 0.000 -7.655 0.000) 7.655 20.120 ( 0.000 7.655 0.000) 7.655 20.205 ( 0.000 -7.369 0.000) 7.369 20.205 ( 0.000 7.369 0.000) 7.369 20.757 ( 0.000 -1.945 0.000) 1.945 20.757 ( 0.000 1.945 0.000) 1.945 20.760 ( 0.000 -1.730 0.000) 1.730 20.760 ( 0.000 1.730 0.000) 1.730 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -7.073 -3.433 0.000) 7.862 1.199 ( -7.073 3.433 0.000) 7.862 1.228 ( -7.445 -14.381 0.000) 16.194 1.228 ( -7.445 14.381 0.000) 16.194 1.661 ( 5.142 -18.697 0.000) 19.391 1.661 ( 5.142 18.697 0.000) 19.391 1.987 ( -8.481 -10.716 0.000) 13.666 1.987 ( -8.481 10.716 0.000) 13.666 2.153 ( 9.941 -6.473 0.000) 11.863 2.153 ( 9.941 6.473 0.000) 11.863 2.346 ( -0.018 -5.107 0.000) 5.107 2.346 ( -0.018 5.107 0.000) 5.107 2.499 ( 7.341 -4.277 0.000) 8.496 2.499 ( 7.341 4.277 0.000) 8.496 2.675 ( -2.262 -2.308 0.000) 3.232 2.675 ( -2.262 2.308 0.000) 3.232 2.762 ( 3.836 -9.804 0.000) 10.528 2.762 ( 3.836 9.804 0.000) 10.528 2.879 ( -1.268 -7.567 0.000) 7.672 2.879 ( -1.268 7.567 0.000) 7.672 3.250 ( 6.796 -13.177 0.000) 14.827 3.250 ( 6.796 13.177 0.000) 14.827 3.579 ( -5.283 -7.739 0.000) 9.370 3.579 ( -5.283 7.739 0.000) 9.370 4.371 ( -7.043 -1.015 0.000) 7.115 4.371 ( -7.043 1.015 0.000) 7.115 4.430 ( -10.274 -5.498 0.000) 11.653 4.430 ( -10.274 5.498 0.000) 11.653 4.860 ( 2.159 -6.080 0.000) 6.452 4.860 ( 2.159 6.080 0.000) 6.452 4.938 ( -1.407 -6.620 0.000) 6.768 4.938 ( -1.407 6.620 0.000) 6.768 5.155 ( 6.773 -7.749 0.000) 10.292 5.155 ( 6.773 7.749 0.000) 10.292 5.255 ( 3.660 -9.918 0.000) 10.571 5.255 ( 3.660 9.918 0.000) 10.571 5.798 ( 3.616 -3.704 0.000) 5.176 5.798 ( 3.616 3.704 0.000) 5.176 5.978 ( -2.781 -1.235 0.000) 3.043 5.978 ( -2.781 1.235 0.000) 3.043 6.361 ( 2.232 -7.951 0.000) 8.258 6.361 ( 2.232 7.951 0.000) 8.258 6.372 ( 0.743 -7.027 0.000) 7.067 6.372 ( 0.743 7.027 0.000) 7.067 6.643 ( 3.225 -11.100 0.000) 11.559 6.643 ( 3.225 11.100 0.000) 11.559 6.904 ( -6.224 -4.502 0.000) 7.682 6.904 ( -6.224 4.502 0.000) 7.682 8.881 ( 1.569 -2.422 0.000) 2.886 8.881 ( 1.569 2.422 0.000) 2.886 8.987 ( -2.983 -1.078 0.000) 3.171 8.987 ( -2.983 1.078 0.000) 3.171 9.484 ( 5.776 -4.105 0.000) 7.086 9.484 ( 5.776 4.105 0.000) 7.086 9.733 ( -4.189 -8.269 0.000) 9.269 9.733 ( -4.189 8.269 0.000) 9.269 10.346 ( 2.935 -11.738 0.000) 12.099 10.346 ( 2.935 11.738 0.000) 12.099 10.610 ( -10.302 -5.832 0.000) 11.838 10.610 ( -10.302 5.832 0.000) 11.838 11.123 ( 8.937 -10.465 0.000) 13.761 11.123 ( 8.937 10.465 0.000) 13.761 11.369 ( -3.156 -10.305 0.000) 10.777 11.369 ( -3.156 10.305 0.000) 10.777 12.223 ( 0.573 -4.429 0.000) 4.466 12.223 ( 0.573 4.429 0.000) 4.466 12.246 ( -0.378 -2.184 0.000) 2.217 12.246 ( -0.378 2.184 0.000) 2.217 18.472 ( 2.857 -0.516 0.000) 2.903 18.472 ( 2.857 0.516 0.000) 2.903 18.566 ( -0.997 -1.648 0.000) 1.926 18.566 ( -0.997 1.648 0.000) 1.926 19.832 ( 0.562 -11.940 0.000) 11.953 19.832 ( 0.562 11.940 0.000) 11.953 19.858 ( -0.240 -14.440 0.000) 14.442 19.858 ( -0.240 14.440 0.000) 14.442 20.113 ( -0.386 -7.964 0.000) 7.973 20.113 ( -0.386 7.964 0.000) 7.973 20.172 ( -2.773 -8.324 0.000) 8.774 20.172 ( -2.773 8.324 0.000) 8.774 20.765 ( 0.652 -1.813 0.000) 1.926 20.765 ( 0.652 1.813 0.000) 1.926 20.769 ( 0.650 -1.631 0.000) 1.756 20.769 ( 0.650 1.631 0.000) 1.756 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.054 -7.794 0.000) 7.865 1.126 ( 1.054 -7.794 0.000) 7.865 1.126 ( -1.054 7.794 0.000) 7.865 1.126 ( 1.054 7.794 0.000) 7.865 1.805 ( -8.950 -14.857 0.000) 17.345 1.805 ( 8.950 -14.857 0.000) 17.345 1.805 ( -8.950 14.857 0.000) 17.345 1.805 ( 8.950 14.857 0.000) 17.345 2.311 ( -4.740 -4.842 0.000) 6.776 2.311 ( 4.740 -4.842 0.000) 6.776 2.311 ( -4.740 4.842 0.000) 6.776 2.311 ( 4.740 4.842 0.000) 6.776 2.614 ( -4.059 -1.670 0.000) 4.389 2.614 ( -4.059 1.670 0.000) 4.389 2.614 ( 4.059 -1.670 0.000) 4.389 2.614 ( 4.059 1.670 0.000) 4.389 2.834 ( -3.220 -8.996 0.000) 9.555 2.834 ( 3.220 -8.996 0.000) 9.555 2.834 ( -3.220 8.996 0.000) 9.555 2.834 ( 3.220 8.996 0.000) 9.555 3.425 ( -9.620 -14.176 0.000) 17.132 3.425 ( 9.620 -14.176 0.000) 17.132 3.425 ( -9.620 14.176 0.000) 17.132 3.425 ( 9.620 14.176 0.000) 17.132 4.300 ( -1.363 -2.078 0.000) 2.485 4.300 ( 1.363 -2.078 0.000) 2.485 4.300 ( -1.363 2.079 0.000) 2.485 4.300 ( 1.363 2.079 0.000) 2.485 4.902 ( -2.111 -6.482 0.000) 6.817 4.902 ( 2.111 -6.482 0.000) 6.817 4.902 ( -2.111 6.482 0.000) 6.817 4.902 ( 2.111 6.482 0.000) 6.817 5.262 ( -3.097 -10.769 0.000) 11.205 5.262 ( 3.097 -10.769 0.000) 11.205 5.262 ( -3.097 10.769 0.000) 11.205 5.262 ( 3.097 10.769 0.000) 11.205 5.896 ( -5.311 -2.668 0.000) 5.943 5.896 ( 5.311 -2.668 0.000) 5.943 5.896 ( -5.311 2.668 0.000) 5.943 5.896 ( 5.311 2.668 0.000) 5.943 6.384 ( -0.063 -8.523 0.000) 8.523 6.384 ( 0.063 -8.523 0.000) 8.523 6.384 ( -0.063 8.523 0.000) 8.523 6.384 ( 0.063 8.523 0.000) 8.523 6.755 ( -7.702 -8.441 0.000) 11.427 6.755 ( 7.702 -8.441 0.000) 11.427 6.755 ( -7.702 8.441 0.000) 11.427 6.755 ( 7.702 8.441 0.000) 11.427 8.926 ( -2.864 -1.929 0.000) 3.453 8.926 ( 2.864 -1.929 0.000) 3.453 8.926 ( -2.864 1.929 0.000) 3.453 8.926 ( 2.864 1.929 0.000) 3.453 9.618 ( -7.016 -6.917 0.000) 9.853 9.618 ( 7.016 -6.917 0.000) 9.853 9.618 ( -7.016 6.917 0.000) 9.853 9.618 ( 7.016 6.917 0.000) 9.853 10.438 ( -6.643 -9.974 0.000) 11.984 10.438 ( 6.643 -9.974 0.000) 11.984 10.438 ( -6.643 9.974 0.000) 11.984 10.438 ( 6.643 9.974 0.000) 11.984 11.275 ( -6.290 -10.254 0.000) 12.029 11.275 ( 6.290 -10.254 0.000) 12.029 11.275 ( -6.290 10.254 0.000) 12.029 11.275 ( 6.290 10.254 0.000) 12.029 12.236 ( -0.635 -3.231 0.000) 3.293 12.236 ( 0.635 -3.231 0.000) 3.293 12.236 ( -0.635 3.231 0.000) 3.293 12.236 ( 0.635 3.231 0.000) 3.293 18.530 ( -2.593 -1.307 0.000) 2.904 18.530 ( 2.593 -1.307 0.000) 2.904 18.530 ( -2.593 1.307 0.000) 2.904 18.530 ( 2.593 1.307 0.000) 2.904 19.847 ( -0.779 -13.201 0.000) 13.224 19.847 ( 0.779 -13.201 0.000) 13.224 19.847 ( -0.779 13.201 0.000) 13.224 19.847 ( 0.779 13.201 0.000) 13.224 20.123 ( -1.645 -8.687 0.000) 8.842 20.123 ( 1.645 -8.687 0.000) 8.842 20.123 ( -1.645 8.687 0.000) 8.842 20.123 ( 1.645 8.687 0.000) 8.842 20.775 ( -0.158 -1.625 0.000) 1.633 20.775 ( 0.158 -1.625 0.000) 1.633 20.775 ( -0.158 1.625 0.000) 1.633 20.775 ( 0.158 1.625 0.000) 1.633 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 0.000 24.502) 24.502 0.531 ( 0.000 0.000 26.041) 26.041 0.613 ( 0.000 0.000 1.938) 1.938 0.906 ( 0.000 0.000 44.488) 44.488 1.668 ( 0.000 0.000 -4.323) 4.323 1.689 ( 0.000 0.000 7.003) 7.003 1.761 ( 0.000 0.000 -0.556) 0.556 1.779 ( 0.000 0.000 -17.865) 17.865 1.819 ( 0.000 0.000 2.303) 2.303 2.180 ( 0.000 0.000 -5.233) 5.233 2.218 ( 0.000 0.000 -16.037) 16.037 2.244 ( 0.000 0.000 -5.653) 5.653 2.330 ( 0.000 0.000 9.406) 9.406 2.558 ( 0.000 0.000 6.527) 6.527 2.657 ( 0.000 0.000 -7.979) 7.979 2.671 ( 0.000 0.000 1.948) 1.948 2.683 ( 0.000 0.000 1.235) 1.235 2.717 ( 0.000 0.000 -2.714) 2.714 2.867 ( 0.000 0.000 12.690) 12.690 2.907 ( 0.000 0.000 -4.487) 4.487 2.925 ( 0.000 0.000 5.058) 5.058 3.493 ( 0.000 0.000 7.242) 7.242 3.882 ( 0.000 0.000 -9.683) 9.683 3.964 ( 0.000 0.000 -7.067) 7.067 4.237 ( 0.000 0.000 -4.693) 4.693 4.312 ( 0.000 0.000 -4.951) 4.951 4.376 ( 0.000 0.000 -6.652) 6.652 4.462 ( 0.000 0.000 2.133) 2.133 4.648 ( 0.000 0.000 1.922) 1.922 4.679 ( 0.000 0.000 -8.490) 8.490 4.824 ( 0.000 0.000 -3.158) 3.158 4.870 ( 0.000 0.000 5.090) 5.090 5.150 ( 0.000 0.000 -2.487) 2.487 5.505 ( 0.000 0.000 -7.891) 7.891 5.520 ( 0.000 0.000 -0.056) 0.056 5.531 ( 0.000 0.000 -11.358) 11.358 5.648 ( 0.000 0.000 9.070) 9.070 5.780 ( 0.000 0.000 2.870) 2.870 5.905 ( 0.000 0.000 8.480) 8.480 5.972 ( 0.000 0.000 -4.534) 4.534 5.977 ( 0.000 0.000 10.085) 10.085 6.164 ( 0.000 0.000 -1.970) 1.970 6.576 ( 0.000 0.000 -7.674) 7.674 6.626 ( 0.000 0.000 -9.117) 9.117 6.661 ( 0.000 0.000 -3.964) 3.964 6.755 ( 0.000 0.000 -10.985) 10.985 6.759 ( 0.000 0.000 3.230) 3.230 6.824 ( 0.000 0.000 -5.507) 5.507 8.928 ( 0.000 0.000 -2.483) 2.483 8.984 ( 0.000 0.000 -1.858) 1.858 9.141 ( 0.000 0.000 -4.445) 4.445 9.142 ( 0.000 0.000 10.760) 10.760 9.148 ( 0.000 0.000 9.537) 9.537 9.508 ( 0.000 0.000 -0.567) 0.567 9.542 ( 0.000 0.000 11.812) 11.812 9.910 ( 0.000 0.000 6.653) 6.653 9.964 ( 0.000 0.000 5.046) 5.046 9.973 ( 0.000 0.000 5.896) 5.896 10.341 ( 0.000 0.000 -6.036) 6.036 10.767 ( 0.000 0.000 -2.753) 2.753 10.958 ( 0.000 0.000 -3.825) 3.825 11.092 ( 0.000 0.000 -1.649) 1.649 11.604 ( 0.000 0.000 2.347) 2.347 11.889 ( 0.000 0.000 7.433) 7.433 12.164 ( 0.000 0.000 -5.326) 5.326 12.245 ( 0.000 0.000 -7.777) 7.777 12.306 ( 0.000 0.000 -8.074) 8.074 12.445 ( 0.000 0.000 -0.430) 0.430 18.487 ( 0.000 0.000 -0.227) 0.227 18.513 ( 0.000 0.000 -3.151) 3.151 18.717 ( 0.000 0.000 4.532) 4.532 18.809 ( 0.000 0.000 0.549) 0.549 18.919 ( 0.000 0.000 0.481) 0.481 18.980 ( 0.000 0.000 -0.462) 0.462 19.156 ( 0.000 0.000 -1.466) 1.466 19.869 ( 0.000 0.000 -16.500) 16.500 19.987 ( 0.000 0.000 3.665) 3.665 20.333 ( 0.000 0.000 2.805) 2.805 20.403 ( 0.000 0.000 -3.901) 3.901 20.521 ( 0.000 0.000 1.600) 1.600 20.815 ( 0.000 0.000 7.764) 7.764 20.861 ( 0.000 0.000 4.545) 4.545 20.862 ( 0.000 0.000 2.953) 2.953 21.833 ( 0.000 0.000 -0.570) 0.570 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 11.538 0.000 14.427) 18.473 0.679 ( 13.089 0.000 18.196) 22.415 0.803 ( 14.643 0.000 1.258) 14.697 1.198 ( 13.475 0.000 23.700) 27.263 1.432 ( -9.750 0.000 1.895) 9.933 1.463 ( -13.496 0.000 7.758) 15.567 1.572 ( -9.338 0.000 -3.310) 9.907 1.980 ( 7.627 0.000 -0.573) 7.648 1.984 ( 1.254 0.000 -2.326) 2.642 2.146 ( -2.841 0.000 -5.086) 5.826 2.256 ( -0.092 0.000 -7.842) 7.843 2.302 ( 5.991 0.000 -2.877) 6.646 2.369 ( 4.869 0.000 -2.685) 5.560 2.483 ( -9.102 0.000 -1.375) 9.205 2.608 ( -6.049 0.000 1.434) 6.216 2.616 ( 5.095 0.000 1.662) 5.359 2.690 ( -2.455 0.000 -3.250) 4.073 2.777 ( 3.985 0.000 -3.550) 5.337 2.894 ( -1.385 0.000 -4.458) 4.668 2.904 ( -0.827 0.000 5.984) 6.041 3.016 ( 6.840 0.000 5.484) 8.767 3.288 ( -12.754 0.000 4.437) 13.504 4.002 ( 6.040 0.000 -9.410) 11.181 4.043 ( 6.769 0.000 -6.799) 9.594 4.245 ( 0.784 0.000 -4.540) 4.607 4.295 ( -1.405 0.000 -4.475) 4.690 4.340 ( -0.117 0.000 -6.410) 6.411 4.494 ( 2.897 0.000 1.739) 3.379 4.575 ( -8.751 0.000 -8.607) 12.275 4.622 ( -2.429 0.000 1.805) 3.026 4.887 ( 4.579 0.000 3.144) 5.555 4.994 ( 3.933 0.000 6.078) 7.239 5.152 ( 3.615 0.000 -8.086) 8.858 5.429 ( -6.556 0.000 -5.273) 8.414 5.513 ( 0.647 0.000 -7.192) 7.221 5.525 ( 0.293 0.000 -1.936) 1.958 5.787 ( 9.436 0.000 -1.542) 9.561 5.797 ( 1.799 0.000 5.078) 5.388 5.933 ( -3.575 0.000 10.311) 10.913 6.001 ( 6.616 0.000 4.067) 7.766 6.003 ( 2.516 0.000 -4.893) 5.502 6.135 ( -2.739 0.000 -2.831) 3.939 6.346 ( -10.194 0.000 2.547) 10.507 6.603 ( -6.244 0.000 -3.110) 6.976 6.682 ( 1.857 0.000 -5.014) 5.347 6.718 ( -0.621 0.000 -2.765) 2.833 6.747 ( -0.840 0.000 -9.919) 9.955 6.831 ( -2.054 0.000 -2.751) 3.433 8.936 ( 0.756 0.000 -2.379) 2.497 8.975 ( -0.832 0.000 -1.937) 2.108 9.144 ( 0.159 0.000 10.628) 10.629 9.148 ( -0.001 0.000 9.739) 9.739 9.184 ( 4.115 0.000 -3.038) 5.115 9.412 ( -6.074 0.000 3.927) 7.233 9.668 ( 8.280 0.000 6.689) 10.644 9.920 ( 0.906 0.000 6.525) 6.588 9.964 ( -0.849 0.000 5.992) 6.051 9.988 ( -2.943 0.000 1.670) 3.384 10.370 ( 3.633 0.000 -9.622) 10.285 10.590 ( -8.611 0.000 -5.015) 9.965 11.073 ( 4.781 0.000 -1.613) 5.045 11.142 ( 2.688 0.000 -2.677) 3.794 11.661 ( 4.972 0.000 2.324) 5.488 11.849 ( -3.487 0.000 7.024) 7.843 12.160 ( -0.061 0.000 -3.191) 3.192 12.254 ( 0.831 0.000 -7.818) 7.862 12.286 ( -8.515 0.000 7.101) 11.088 12.297 ( -0.872 0.000 -8.028) 8.075 18.507 ( 2.298 0.000 -0.669) 2.393 18.611 ( -0.818 0.000 -2.809) 2.926 18.818 ( 0.954 0.000 0.542) 1.098 18.886 ( -2.245 0.000 0.452) 2.290 19.019 ( 25.075 0.000 -17.646) 30.661 19.023 ( 3.162 0.000 -0.571) 3.213 19.137 ( -1.873 0.000 -1.322) 2.293 19.696 ( -11.973 0.000 -11.781) 16.798 20.108 ( 6.634 0.000 -2.586) 7.121 20.297 ( -3.192 0.000 0.128) 3.195 20.429 ( 2.194 0.000 -1.315) 2.558 20.513 ( -1.043 0.000 0.874) 1.361 20.828 ( 0.990 0.000 5.497) 5.585 20.851 ( -0.318 0.000 2.030) 2.054 20.903 ( 3.758 0.000 10.285) 10.950 21.396 ( -25.991 0.000 24.439) 35.676 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -21.637 0.000 -2.337) 21.763 0.919 ( 21.637 0.000 -2.337) 21.763 0.932 ( -7.700 0.000 8.039) 11.131 0.932 ( 7.700 0.000 8.039) 11.131 1.360 ( -7.806 0.000 1.880) 8.029 1.360 ( 7.806 0.000 1.880) 8.029 1.760 ( -20.965 0.000 20.767) 29.509 1.760 ( 20.965 0.000 20.767) 29.509 2.084 ( -3.638 0.000 -4.296) 5.630 2.084 ( 3.638 0.000 -4.296) 5.630 2.301 ( -5.583 0.000 -7.722) 9.529 2.301 ( 5.583 0.000 -7.722) 9.529 2.457 ( -8.649 0.000 0.693) 8.677 2.457 ( 8.649 0.000 0.693) 8.677 2.535 ( -8.447 0.000 -6.751) 10.813 2.535 ( 8.447 0.000 -6.751) 10.813 2.809 ( -8.533 0.000 4.483) 9.639 2.809 ( 8.533 0.000 4.483) 9.639 2.850 ( -3.101 0.000 -4.309) 5.309 2.850 ( 3.101 0.000 -4.309) 5.309 3.119 ( -5.037 0.000 4.661) 6.862 3.119 ( 5.037 0.000 4.661) 6.862 4.097 ( -2.057 0.000 -9.009) 9.241 4.097 ( 2.057 0.000 -9.009) 9.241 4.267 ( -1.353 0.000 -4.303) 4.511 4.267 ( 1.353 0.000 -4.303) 4.511 4.406 ( -6.854 0.000 -7.706) 10.314 4.406 ( 6.854 0.000 -7.706) 10.314 4.561 ( -3.554 0.000 1.628) 3.909 4.561 ( 3.554 0.000 1.628) 3.909 4.969 ( -3.532 0.000 7.537) 8.323 4.969 ( 3.532 0.000 7.537) 8.323 5.291 ( -7.642 0.000 -7.560) 10.749 5.291 ( 7.642 0.000 -7.560) 10.749 5.524 ( -0.382 0.000 -5.216) 5.230 5.524 ( 0.382 0.000 -5.216) 5.230 5.854 ( -3.839 0.000 8.962) 9.750 5.854 ( 3.839 0.000 8.962) 9.750 5.970 ( -8.300 0.000 -2.876) 8.784 5.970 ( 8.300 0.000 -2.876) 8.784 6.068 ( -3.685 0.000 -4.458) 5.784 6.068 ( 3.685 0.000 -4.458) 5.784 6.395 ( -11.565 0.000 4.275) 12.330 6.395 ( 11.565 0.000 4.275) 12.330 6.721 ( -1.808 0.000 -7.464) 7.680 6.721 ( 1.808 0.000 -7.464) 7.680 6.764 ( -3.792 0.000 -4.291) 5.726 6.764 ( 3.792 0.000 -4.291) 5.726 8.955 ( -1.110 0.000 -2.146) 2.416 8.955 ( 1.110 0.000 -2.146) 2.416 9.147 ( -0.126 0.000 10.219) 10.220 9.147 ( 0.126 0.000 10.219) 10.220 9.289 ( -6.128 0.000 0.704) 6.168 9.289 ( 6.128 0.000 0.704) 6.168 9.845 ( -9.310 0.000 5.492) 10.810 9.845 ( 9.310 0.000 5.492) 10.810 9.942 ( -1.243 0.000 6.242) 6.365 9.942 ( 1.243 0.000 6.242) 6.365 10.463 ( -5.211 0.000 -9.965) 11.245 10.463 ( 5.211 0.000 -9.965) 11.245 11.143 ( -2.202 0.000 -1.088) 2.457 11.143 ( 2.202 0.000 -1.088) 2.457 11.765 ( -4.992 0.000 4.645) 6.819 11.765 ( 4.992 0.000 4.645) 6.819 12.182 ( -2.690 0.000 1.901) 3.293 12.182 ( 2.690 0.000 1.901) 3.293 12.275 ( -1.204 0.000 -7.920) 8.011 12.275 ( 1.204 0.000 -7.920) 8.011 18.564 ( -3.126 0.000 -0.986) 3.278 18.564 ( 3.126 0.000 -0.986) 3.278 18.845 ( -1.757 0.000 0.513) 1.830 18.845 ( 1.757 0.000 0.513) 1.830 19.087 ( -3.055 0.000 -0.962) 3.203 19.087 ( 3.055 0.000 -0.962) 3.203 19.424 ( -16.215 0.000 -16.928) 23.441 19.424 ( 16.215 0.000 -16.928) 23.441 20.218 ( -4.732 0.000 -1.916) 5.105 20.218 ( 4.732 0.000 -1.916) 5.105 20.477 ( -2.411 0.000 0.054) 2.412 20.477 ( 2.411 0.000 0.054) 2.412 20.843 ( -0.526 0.000 2.467) 2.522 20.843 ( 0.526 0.000 2.467) 2.522 21.041 ( -11.166 0.000 20.468) 23.316 21.041 ( 11.166 0.000 20.468) 23.316 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 14.497 13.994) 20.149 0.679 ( 0.000 13.759 14.404) 19.919 0.789 ( 0.000 12.950 4.569) 13.733 1.355 ( 0.000 30.700 30.466) 43.251 1.601 ( 0.000 -5.927 -8.004) 9.959 1.694 ( 0.000 -0.652 -2.073) 2.173 1.726 ( 0.000 3.351 5.907) 6.791 1.789 ( 0.000 3.060 -0.485) 3.099 2.010 ( 0.000 8.043 -6.249) 10.185 2.156 ( 0.000 -5.868 -8.627) 10.434 2.189 ( 0.000 1.330 -5.210) 5.377 2.283 ( 0.000 2.914 -11.579) 11.940 2.357 ( 0.000 2.809 6.663) 7.230 2.534 ( 0.000 -1.680 4.452) 4.759 2.596 ( 0.000 -4.392 -0.558) 4.427 2.601 ( 0.000 -2.538 -6.439) 6.921 2.753 ( 0.000 2.218 -2.649) 3.455 2.768 ( 0.000 1.870 -2.788) 3.357 2.862 ( 0.000 0.070 12.262) 12.263 2.943 ( 0.000 2.260 5.762) 6.189 2.948 ( 0.000 2.968 -1.251) 3.221 3.551 ( 0.000 4.522 6.159) 7.640 3.788 ( 0.000 -4.799 -3.144) 5.737 3.829 ( 0.000 -11.503 -3.865) 12.135 4.333 ( 0.000 2.287 -7.974) 8.296 4.344 ( 0.000 2.481 -6.004) 6.497 4.412 ( 0.000 4.228 -4.354) 6.069 4.475 ( 0.000 -6.579 -1.947) 6.861 4.655 ( 0.000 10.808 -7.660) 13.247 4.794 ( 0.000 1.923 -3.139) 3.681 4.841 ( 0.000 0.966 -3.442) 3.575 4.885 ( 0.000 1.070 2.119) 2.374 5.105 ( 0.000 -1.223 -4.130) 4.307 5.380 ( 0.000 -8.073 -3.642) 8.856 5.492 ( 0.000 -5.351 -1.137) 5.470 5.530 ( 0.000 -8.282 6.865) 10.758 5.663 ( 0.000 7.860 -0.966) 7.920 5.828 ( 0.000 2.920 2.900) 4.115 5.919 ( 0.000 3.022 -1.969) 3.607 6.003 ( 0.000 -3.563 8.504) 9.220 6.033 ( 0.000 4.764 -0.119) 4.765 6.155 ( 0.000 0.363 -3.040) 3.061 6.312 ( 0.000 -7.056 5.770) 9.115 6.507 ( 0.000 -6.916 -7.129) 9.932 6.652 ( 0.000 -3.150 -1.614) 3.539 6.756 ( 0.000 -0.138 -10.061) 10.062 6.840 ( 0.000 1.665 -5.521) 5.766 6.848 ( 0.000 5.915 -1.425) 6.084 8.932 ( 0.000 -0.295 3.313) 3.326 8.987 ( 0.000 -0.202 -1.915) 1.925 9.132 ( 0.000 -2.793 6.509) 7.083 9.135 ( 0.000 -0.362 11.969) 11.974 9.213 ( 0.000 4.309 -2.930) 5.211 9.490 ( 0.000 -1.730 0.385) 1.772 9.614 ( 0.000 5.250 12.590) 13.641 9.931 ( 0.000 -0.273 2.247) 2.264 10.025 ( 0.000 2.507 6.017) 6.518 10.189 ( 0.000 16.131 -18.665) 24.670 10.412 ( 0.000 6.440 -5.957) 8.773 10.748 ( 0.000 -1.371 -2.699) 3.027 10.952 ( 0.000 -0.944 -4.339) 4.441 11.017 ( 0.000 -6.382 -3.985) 7.524 11.508 ( 0.000 -7.973 1.913) 8.199 11.805 ( 0.000 -7.697 2.996) 8.260 12.156 ( 0.000 0.047 -4.742) 4.742 12.221 ( 0.000 -0.977 -0.943) 1.358 12.328 ( 0.000 1.236 -4.003) 4.190 12.332 ( 0.000 -3.956 7.845) 8.786 18.477 ( 0.000 -0.834 -0.209) 0.860 18.488 ( 0.000 -1.759 -1.888) 2.580 18.659 ( 0.000 -3.738 3.800) 5.330 18.824 ( 0.000 -7.058 0.976) 7.126 19.137 ( 0.000 12.722 -1.956) 12.872 19.259 ( 0.000 23.968 -21.306) 32.069 19.272 ( 0.000 9.455 -2.047) 9.674 19.898 ( 0.000 1.400 -16.128) 16.189 20.020 ( 0.000 3.024 3.933) 4.961 20.299 ( 0.000 -3.261 3.057) 4.470 20.373 ( 0.000 -2.859 -2.785) 3.991 20.514 ( 0.000 -0.848 1.361) 1.604 20.806 ( 0.000 -0.700 7.595) 7.627 20.850 ( 0.000 -0.890 3.828) 3.930 20.853 ( 0.000 -0.791 3.005) 3.107 21.348 ( 0.000 -26.040 24.364) 35.660 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 5.493 10.987 14.908) 19.317 0.789 ( 13.931 12.501 8.623) 20.608 0.921 ( 11.327 9.428 2.216) 14.903 1.338 ( -16.490 -0.068 -0.065) 16.491 1.493 ( -5.880 9.896 7.682) 13.839 1.553 ( -11.455 3.067 3.186) 12.279 1.630 ( 8.755 14.140 12.960) 21.084 1.937 ( 6.652 0.083 -0.669) 6.687 2.107 ( 4.666 1.840 -7.768) 9.247 2.155 ( -3.079 1.022 -5.083) 6.030 2.261 ( 7.672 1.211 -3.445) 8.497 2.317 ( 2.480 -0.994 -5.200) 5.846 2.346 ( 0.103 4.254 -1.289) 4.447 2.483 ( -6.688 0.730 -1.913) 6.995 2.565 ( 1.551 -3.322 1.815) 4.091 2.640 ( 0.631 -1.731 -3.166) 3.663 2.681 ( -4.661 2.518 1.231) 5.439 2.809 ( 2.704 0.155 -1.990) 3.361 2.879 ( -1.166 1.042 5.397) 5.619 2.940 ( -0.419 1.813 0.482) 1.922 3.000 ( 5.545 0.330 5.043) 7.503 3.333 ( -13.990 4.002 3.588) 14.987 3.879 ( 4.759 -8.698 -3.288) 10.446 3.903 ( 4.870 -8.349 -1.878) 9.847 4.306 ( -2.696 -0.950 -5.554) 6.247 4.348 ( 0.421 -0.798 -6.335) 6.399 4.382 ( -0.826 3.235 -4.268) 5.419 4.475 ( -0.708 -0.373 -4.556) 4.626 4.580 ( -2.430 7.789 -4.404) 9.272 4.681 ( -7.599 0.761 -3.152) 8.262 4.904 ( 4.152 1.257 2.434) 4.974 4.984 ( 2.094 -0.689 5.054) 5.514 5.129 ( 4.049 -0.722 -6.993) 8.113 5.324 ( -4.433 -7.210 -3.711) 9.242 5.524 ( 4.084 -1.788 -1.365) 4.662 5.629 ( 1.418 0.667 -3.809) 4.118 5.680 ( 6.087 -3.130 0.705) 6.881 5.859 ( 2.656 3.604 3.480) 5.670 5.917 ( -0.682 -0.103 -2.309) 2.410 5.974 ( -2.579 -0.753 6.973) 7.472 6.074 ( 2.417 1.682 -0.390) 2.970 6.135 ( -2.060 1.208 -2.987) 3.824 6.286 ( 1.135 0.404 4.874) 5.021 6.525 ( 0.613 -5.254 -4.922) 7.226 6.651 ( -0.877 -4.964 -2.830) 5.781 6.715 ( -7.118 2.086 -3.324) 8.128 6.773 ( 1.467 1.493 -8.522) 8.775 6.875 ( -1.096 3.290 -4.076) 5.352 8.942 ( 1.073 0.146 2.633) 2.847 8.987 ( -0.316 0.195 -0.595) 0.702 9.111 ( -0.855 -1.753 7.381) 7.635 9.126 ( -1.196 -2.750 8.902) 9.393 9.257 ( 3.946 5.447 -0.654) 6.758 9.452 ( -4.158 2.290 4.257) 6.376 9.666 ( 5.531 1.089 6.929) 8.933 9.891 ( -3.431 -0.719 2.916) 4.560 10.004 ( -0.112 3.985 4.523) 6.029 10.175 ( -5.115 11.402 -6.659) 14.160 10.419 ( 2.288 4.140 -9.044) 10.206 10.595 ( -7.373 0.493 -5.423) 9.166 11.031 ( 4.138 -3.868 -0.882) 5.733 11.095 ( 3.679 -3.414 -4.472) 6.723 11.570 ( 5.516 -7.886 0.799) 9.657 11.771 ( -3.231 -7.326 2.726) 8.458 12.153 ( 0.008 0.274 -2.772) 2.785 12.206 ( -1.790 -1.046 2.940) 3.597 12.298 ( -1.313 -0.093 0.729) 1.505 12.321 ( -0.943 1.116 -3.961) 4.222 18.495 ( 2.055 -0.837 -0.460) 2.266 18.554 ( 2.196 -3.213 -2.597) 4.678 18.686 ( 3.547 -6.209 3.482) 7.954 18.811 ( -1.430 -6.890 1.194) 7.137 19.148 ( 1.231 11.994 -2.307) 12.276 19.224 ( -1.900 11.825 -5.507) 13.183 19.376 ( 8.284 16.115 -17.072) 24.895 19.764 ( -9.489 4.879 -11.800) 15.909 20.107 ( 5.139 -0.092 -1.191) 5.276 20.266 ( -2.887 -2.805 0.755) 4.095 20.400 ( 2.420 -2.876 -0.503) 3.792 20.501 ( -1.471 -1.329 1.000) 2.220 20.819 ( 1.139 -0.663 5.987) 6.131 20.844 ( -0.208 -0.562 2.371) 2.446 20.882 ( 2.717 -1.671 8.174) 8.775 21.182 ( -12.355 -14.397 24.203) 30.752 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -13.045 4.352 8.374) 16.101 0.920 ( 13.045 4.352 8.374) 16.101 1.112 ( -13.486 11.185 -1.197) 17.562 1.112 ( 13.486 11.185 -1.197) 17.562 1.328 ( -8.230 -1.431 3.512) 9.062 1.328 ( 8.230 -1.431 3.512) 9.062 1.941 ( -11.192 11.179 11.147) 19.351 1.941 ( 11.192 11.179 11.147) 19.351 2.096 ( -0.367 2.871 -2.960) 4.140 2.096 ( 0.367 2.871 -2.960) 4.140 2.351 ( -2.897 3.910 -7.516) 8.954 2.351 ( 2.897 3.910 -7.516) 8.954 2.402 ( -3.745 -4.156 -1.772) 5.868 2.402 ( 3.745 -4.156 -1.772) 5.868 2.550 ( -4.041 2.310 -2.444) 5.257 2.550 ( 4.041 2.310 -2.444) 5.257 2.768 ( -6.696 -2.898 3.958) 8.300 2.768 ( 6.696 -2.898 3.958) 8.300 2.902 ( -2.976 3.325 -0.615) 4.504 2.902 ( 2.976 3.325 -0.615) 4.504 3.122 ( -7.264 0.986 3.428) 8.093 3.122 ( 7.264 0.986 3.428) 8.093 3.944 ( -0.865 -8.492 -1.895) 8.744 3.944 ( 0.865 -8.492 -1.895) 8.744 4.318 ( -3.335 -3.526 -6.097) 7.793 4.318 ( 3.335 -3.526 -6.097) 7.793 4.409 ( -3.894 1.242 -5.847) 7.134 4.409 ( 3.894 1.242 -5.847) 7.134 4.585 ( -2.297 4.486 -2.473) 5.614 4.585 ( 2.297 4.486 -2.473) 5.614 4.968 ( -2.377 0.353 6.020) 6.482 4.968 ( 2.377 0.353 6.020) 6.482 5.230 ( -5.082 -4.240 -5.324) 8.494 5.230 ( 5.082 -4.240 -5.324) 8.494 5.598 ( -2.916 2.391 -3.918) 5.438 5.598 ( 2.916 2.391 -3.918) 5.438 5.836 ( -6.910 -7.158 -3.316) 10.487 5.836 ( 6.910 -7.158 -3.316) 10.487 5.924 ( -2.631 4.697 5.825) 7.931 5.924 ( 2.631 4.697 5.825) 7.931 6.094 ( -1.067 1.083 -1.667) 2.256 6.094 ( 1.067 1.083 -1.667) 2.256 6.425 ( -10.061 2.875 2.288) 10.711 6.425 ( 10.061 2.875 2.288) 10.711 6.638 ( -1.549 -4.911 -5.807) 7.761 6.638 ( 1.549 -4.911 -5.807) 7.761 6.825 ( -3.230 2.697 -5.724) 7.105 6.825 ( 3.230 2.697 -5.724) 7.105 8.969 ( -1.390 0.623 1.393) 2.065 8.969 ( 1.390 0.623 1.393) 2.065 9.107 ( -0.432 -2.709 7.495) 7.981 9.107 ( 0.432 -2.709 7.495) 7.981 9.352 ( -5.319 4.838 2.930) 7.764 9.352 ( 5.319 4.838 2.930) 7.764 9.798 ( -6.425 -1.683 3.350) 7.439 9.798 ( 6.425 -1.683 3.350) 7.439 10.047 ( -4.975 6.633 3.171) 8.877 10.047 ( 4.975 6.633 3.171) 8.877 10.491 ( -4.234 2.360 -9.620) 10.772 10.491 ( 4.234 2.360 -9.620) 10.772 11.102 ( -2.334 -3.307 -1.422) 4.291 11.102 ( 2.334 -3.307 -1.422) 4.291 11.685 ( -5.397 -7.346 1.454) 9.230 11.685 ( 5.397 -7.346 1.454) 9.230 12.167 ( -1.546 0.102 1.563) 2.200 12.167 ( 1.546 0.102 1.563) 2.200 12.300 ( -0.957 1.035 -3.962) 4.206 12.300 ( 0.957 1.035 -3.962) 4.206 18.542 ( -2.200 -1.382 -0.877) 2.742 18.542 ( 2.200 -1.382 -0.877) 2.742 18.764 ( -3.352 -7.144 1.747) 8.082 18.764 ( 3.352 -7.144 1.747) 8.082 19.183 ( -2.110 10.747 -3.010) 11.358 19.183 ( 2.110 10.747 -3.010) 11.358 19.566 ( -10.250 9.396 -14.991) 20.447 19.566 ( 10.250 9.396 -14.991) 20.447 20.197 ( -4.029 -1.957 -0.904) 4.570 20.197 ( 4.029 -1.957 -0.904) 4.570 20.456 ( -2.907 -2.289 0.695) 3.764 20.456 ( 2.907 -2.289 0.695) 3.764 20.838 ( -0.567 -0.496 2.936) 3.031 20.838 ( 0.567 -0.496 2.936) 3.031 20.979 ( -7.487 -4.848 17.191) 19.367 20.979 ( 7.487 -4.848 17.191) 19.367 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 16.739 7.226) 18.232 1.047 ( 0.000 21.423 -1.196) 21.457 1.070 ( 0.000 12.316 3.397) 12.776 1.467 ( 0.000 -6.376 -3.805) 7.425 1.595 ( 0.000 -7.417 -0.229) 7.421 1.778 ( 0.000 -2.511 -5.336) 5.897 1.903 ( 0.000 5.768 -1.151) 5.881 1.999 ( 0.000 -3.296 4.187) 5.329 2.035 ( 0.000 21.858 14.281) 26.110 2.115 ( 0.000 6.359 3.121) 7.084 2.231 ( 0.000 1.139 -4.240) 4.391 2.347 ( 0.000 -1.778 5.953) 6.212 2.349 ( 0.000 2.746 -12.721) 13.014 2.484 ( 0.000 -1.590 -9.587) 9.718 2.495 ( 0.000 -5.052 -1.171) 5.186 2.695 ( 0.000 9.130 2.160) 9.383 2.769 ( 0.000 0.933 -0.082) 0.937 2.790 ( 0.000 0.266 1.796) 1.815 2.844 ( 0.000 -2.779 6.658) 7.214 2.995 ( 0.000 0.144 2.031) 2.036 3.034 ( 0.000 5.845 4.190) 7.192 3.514 ( 0.000 -16.768 0.696) 16.782 3.634 ( 0.000 2.286 4.379) 4.940 3.706 ( 0.000 -2.776 1.444) 3.129 4.372 ( 0.000 1.940 -6.599) 6.879 4.412 ( 0.000 0.032 -3.642) 3.642 4.434 ( 0.000 6.587 -4.554) 8.008 4.524 ( 0.000 5.153 -4.905) 7.114 4.769 ( 0.000 -2.973 -1.736) 3.443 4.829 ( 0.000 7.197 -2.526) 7.627 4.876 ( 0.000 3.583 -4.344) 5.632 4.881 ( 0.000 -2.526 -4.224) 4.922 5.114 ( 0.000 0.632 -3.228) 3.290 5.172 ( 0.000 -10.045 -3.519) 10.643 5.304 ( 0.000 -11.324 3.842) 11.958 5.345 ( 0.000 -8.564 7.628) 11.469 5.792 ( 0.000 3.292 -1.771) 3.738 5.802 ( 0.000 -2.747 6.267) 6.842 5.937 ( 0.000 1.374 -4.775) 4.969 6.035 ( 0.000 -3.395 0.479) 3.429 6.050 ( 0.000 6.556 -5.067) 8.286 6.312 ( 0.000 11.711 -0.612) 11.727 6.331 ( 0.000 4.040 3.823) 5.562 6.354 ( 0.000 -6.748 -8.773) 11.068 6.552 ( 0.000 -5.616 0.279) 5.623 6.723 ( 0.000 -3.856 -7.233) 8.197 6.891 ( 0.000 3.025 -3.381) 4.537 6.946 ( 0.000 2.607 -2.591) 3.676 8.927 ( 0.000 -0.096 7.738) 7.739 8.963 ( 0.000 -1.770 1.873) 2.577 9.074 ( 0.000 -1.137 6.333) 6.434 9.127 ( 0.000 -0.823 10.309) 10.342 9.320 ( 0.000 4.744 -5.315) 7.124 9.442 ( 0.000 -2.373 0.721) 2.480 9.725 ( 0.000 5.406 11.544) 12.747 9.937 ( 0.000 -1.137 2.598) 2.836 10.101 ( 0.000 6.189 2.117) 6.541 10.411 ( 0.000 2.307 -10.877) 11.119 10.591 ( 0.000 8.814 -6.165) 10.756 10.745 ( 0.000 2.668 -2.567) 3.702 10.849 ( 0.000 -7.060 -3.945) 8.088 10.954 ( 0.000 1.219 -12.557) 12.616 11.316 ( 0.000 -8.210 1.293) 8.311 11.582 ( 0.000 -12.428 -4.086) 13.083 12.178 ( 0.000 1.827 -2.341) 2.969 12.238 ( 0.000 1.717 0.634) 1.830 12.281 ( 0.000 -1.453 6.547) 6.706 12.336 ( 0.000 -0.655 1.024) 1.216 18.458 ( 0.000 -0.746 0.249) 0.787 18.458 ( 0.000 -0.885 0.163) 0.900 18.596 ( 0.000 -1.754 2.429) 2.997 18.677 ( 0.000 -5.786 2.004) 6.124 19.454 ( 0.000 15.248 -5.145) 16.092 19.502 ( 0.000 11.074 -4.530) 11.965 19.617 ( 0.000 9.978 -18.604) 21.110 19.885 ( 0.000 -2.986 -12.853) 13.195 20.109 ( 0.000 4.561 4.127) 6.151 20.198 ( 0.000 -5.498 4.241) 6.944 20.293 ( 0.000 -3.438 0.739) 3.517 20.466 ( 0.000 -4.232 3.012) 5.194 20.796 ( 0.000 -0.024 5.912) 5.912 20.831 ( 0.000 -1.169 3.405) 3.600 20.831 ( 0.000 -0.665 4.035) 4.089 20.960 ( 0.000 -10.963 17.823) 20.925 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.836 13.817 9.511) 16.795 1.112 ( 5.531 8.720 2.024) 10.522 1.159 ( 7.615 17.984 -0.008) 19.530 1.318 ( -11.264 -0.915 3.752) 11.907 1.483 ( -9.384 -6.386 0.357) 11.356 1.685 ( -12.492 8.814 -3.341) 15.649 1.875 ( 2.517 -7.119 -5.863) 9.560 2.059 ( 3.871 5.898 2.397) 7.452 2.075 ( 1.127 -2.138 -3.873) 4.565 2.206 ( 5.662 11.617 10.056) 16.375 2.259 ( 4.314 0.766 -2.155) 4.883 2.365 ( 2.468 -1.226 -4.736) 5.479 2.403 ( 0.491 1.506 -6.038) 6.242 2.480 ( 7.441 4.179 -2.067) 8.781 2.587 ( 3.565 -0.888 -0.581) 3.719 2.666 ( -3.527 6.882 2.511) 8.130 2.729 ( -2.687 4.566 1.905) 5.630 2.788 ( -1.202 -1.374 3.511) 3.958 2.887 ( 3.139 -2.104 3.936) 5.456 2.980 ( -1.353 0.537 1.292) 1.946 3.065 ( 3.772 6.034 3.197) 7.801 3.451 ( -12.812 6.808 2.960) 14.807 3.598 ( 7.422 -15.821 0.354) 17.479 3.765 ( 1.605 -6.347 2.399) 6.973 4.307 ( -4.899 0.948 -4.099) 6.457 4.320 ( -5.418 0.778 -3.678) 6.595 4.366 ( -3.657 -1.202 -2.282) 4.475 4.507 ( -8.475 -2.913 -4.340) 9.957 4.717 ( 2.003 6.865 -5.828) 9.225 4.780 ( -1.459 9.249 -3.529) 10.007 4.932 ( 3.436 0.737 0.644) 3.573 4.979 ( 2.890 0.573 1.259) 3.204 5.113 ( 1.006 -1.082 -3.151) 3.480 5.165 ( -0.959 -6.528 -1.673) 6.807 5.360 ( 4.770 -11.862 0.804) 12.810 5.425 ( 5.009 -12.004 -2.088) 13.174 5.757 ( 0.413 3.482 1.129) 3.684 5.882 ( 4.462 -1.231 2.527) 5.273 5.910 ( -2.854 1.822 -4.386) 5.541 6.013 ( -1.962 -2.229 0.469) 3.006 6.095 ( 3.924 5.929 -3.190) 7.793 6.258 ( -3.423 6.898 1.133) 7.784 6.376 ( 3.229 0.334 -6.041) 6.858 6.421 ( 6.087 2.452 -0.569) 6.587 6.529 ( -2.156 -6.146 -2.313) 6.912 6.753 ( 2.446 -2.566 -4.821) 5.984 6.794 ( -7.753 3.774 -2.657) 9.023 6.926 ( -2.921 0.620 -3.551) 4.640 8.942 ( 1.398 -0.085 7.459) 7.589 8.974 ( 0.809 -1.211 2.284) 2.709 9.058 ( -1.329 -2.087 6.599) 7.048 9.082 ( -3.046 -1.488 7.894) 8.591 9.384 ( 4.975 5.596 -0.673) 7.518 9.491 ( 3.759 1.308 0.230) 3.987 9.703 ( -1.312 2.537 9.343) 9.770 9.882 ( -5.125 -1.659 2.463) 5.923 10.118 ( 2.078 7.428 1.172) 7.802 10.386 ( -7.160 6.915 -9.097) 13.485 10.486 ( -2.917 0.000 -4.382) 5.264 10.610 ( -6.154 0.246 -6.520) 8.969 10.954 ( 6.890 -0.514 -2.216) 7.256 11.067 ( 4.265 2.302 -8.560) 9.837 11.362 ( 4.768 -10.518 -0.377) 11.555 11.555 ( -2.744 -12.116 -3.734) 12.972 12.181 ( 0.477 2.119 -1.070) 2.421 12.229 ( -1.192 2.385 3.846) 4.680 12.279 ( 0.342 -1.478 1.522) 2.149 12.325 ( -1.063 -0.807 0.473) 1.416 18.480 ( 2.173 -0.409 0.205) 2.221 18.504 ( 3.333 -1.517 -0.369) 3.680 18.593 ( -0.075 -2.484 2.718) 3.683 18.665 ( -1.296 -5.714 1.982) 6.185 19.455 ( 0.227 14.843 -5.342) 15.776 19.489 ( -1.132 12.147 -5.330) 13.313 19.647 ( 2.989 8.176 -16.546) 18.696 19.835 ( -4.575 0.275 -12.436) 13.254 20.116 ( 1.021 1.327 3.386) 3.777 20.194 ( -1.216 -2.651 3.909) 4.878 20.303 ( 1.745 -5.644 1.639) 6.130 20.436 ( -2.925 -5.190 3.332) 6.826 20.808 ( 1.072 -0.169 5.635) 5.739 20.832 ( 0.039 -0.407 3.633) 3.656 20.845 ( 1.242 -1.607 5.180) 5.564 20.932 ( -2.437 -7.885 15.172) 17.271 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -8.842 7.204 9.869) 15.082 1.057 ( 8.842 7.204 9.869) 15.082 1.280 ( -9.949 -1.404 1.863) 10.219 1.280 ( 9.949 -1.404 1.863) 10.219 1.409 ( -13.658 13.796 -2.149) 19.532 1.409 ( 13.658 13.796 -2.149) 19.532 1.965 ( -5.800 -6.839 -5.329) 10.431 1.965 ( 5.800 -6.839 -5.329) 10.431 2.207 ( -5.155 2.389 -2.777) 6.324 2.207 ( 5.155 2.389 -2.777) 6.324 2.356 ( -3.251 -0.648 -5.329) 6.276 2.356 ( 3.251 -0.648 -5.329) 6.276 2.513 ( -8.542 9.145 2.427) 12.747 2.513 ( 8.542 9.145 2.427) 12.747 2.628 ( -5.822 6.814 2.959) 9.439 2.628 ( 5.822 6.814 2.959) 9.439 2.719 ( -4.903 -0.889 4.105) 6.456 2.719 ( 4.903 -0.889 4.105) 6.456 2.944 ( -2.388 -0.470 1.375) 2.796 2.944 ( 2.388 -0.470 1.375) 2.796 3.206 ( -10.518 7.760 2.390) 13.288 3.206 ( 10.518 7.760 2.390) 13.288 3.739 ( -4.769 -11.631 1.057) 12.615 3.739 ( 4.769 -11.631 1.057) 12.615 4.258 ( -0.948 -0.895 -3.230) 3.483 4.258 ( 0.948 -0.895 -3.230) 3.483 4.351 ( -3.794 -4.271 -1.966) 6.042 4.351 ( 3.794 -4.271 -1.966) 6.042 4.759 ( -1.294 9.923 -4.264) 10.877 4.759 ( 1.294 9.923 -4.264) 10.877 4.986 ( -1.645 0.885 2.047) 2.771 4.986 ( 1.645 0.885 2.047) 2.771 5.141 ( -1.401 -3.278 -1.729) 3.962 5.141 ( 1.401 -3.278 -1.729) 3.962 5.447 ( -2.731 -13.204 -4.517) 14.220 5.447 ( 2.731 -13.204 -4.517) 14.220 5.824 ( -5.181 3.502 -1.782) 6.502 5.824 ( 5.181 3.502 -1.782) 6.502 5.960 ( -3.315 -1.644 1.058) 3.848 5.960 ( 3.315 -1.644 1.058) 3.848 6.181 ( -4.356 6.791 -0.040) 8.068 6.181 ( 4.356 6.791 -0.040) 8.068 6.454 ( -3.948 -3.691 -5.795) 7.924 6.454 ( 3.948 -3.691 -5.795) 7.924 6.597 ( -9.898 4.525 -0.030) 10.884 6.597 ( 9.898 4.525 -0.030) 10.884 6.841 ( -4.927 -1.697 -4.376) 6.805 6.841 ( 4.927 -1.697 -4.376) 6.805 8.973 ( -1.259 0.151 5.310) 5.460 8.973 ( 1.259 0.151 5.310) 5.460 9.043 ( -0.586 -3.080 6.578) 7.287 9.043 ( 0.586 -3.080 6.578) 7.287 9.485 ( -4.468 7.427 2.877) 9.132 9.485 ( 4.468 7.427 2.877) 9.132 9.758 ( -6.533 -3.192 2.702) 7.757 9.758 ( 6.533 -3.192 2.702) 7.757 10.204 ( -7.240 8.336 -1.566) 11.152 10.204 ( 7.240 8.336 -1.566) 11.152 10.519 ( -3.469 -1.640 -7.077) 8.050 10.519 ( 3.469 -1.640 -7.077) 8.050 11.065 ( -3.600 2.097 -3.686) 5.563 11.065 ( 3.600 2.097 -3.686) 5.563 11.473 ( -5.411 -11.688 -2.848) 13.191 11.473 ( 5.411 -11.688 -2.848) 13.191 12.200 ( -1.365 2.534 2.270) 3.666 12.200 ( 1.365 2.534 2.270) 3.666 12.299 ( -1.396 -1.094 -0.433) 1.825 12.299 ( 1.396 -1.094 -0.433) 1.825 18.523 ( -1.549 -0.129 -0.148) 1.562 18.523 ( 1.549 -0.129 -0.148) 1.562 18.623 ( -2.763 -5.264 2.307) 6.377 18.623 ( 2.763 -5.264 2.307) 6.377 19.466 ( -0.934 13.722 -5.652) 14.870 19.466 ( 0.934 13.722 -5.652) 14.870 19.731 ( -5.274 4.663 -13.572) 15.289 19.731 ( 5.274 4.663 -13.572) 15.289 20.152 ( -2.429 -1.073 3.049) 4.043 20.152 ( 2.429 -1.073 3.049) 4.043 20.364 ( -3.894 -6.366 3.249) 8.139 20.364 ( 3.894 -6.366 3.249) 8.139 20.827 ( -0.612 -0.299 4.155) 4.210 20.827 ( 0.612 -0.299 4.155) 4.210 20.881 ( -2.388 -3.530 9.887) 10.766 20.881 ( 2.388 -3.530 9.887) 10.766 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 -9.005 0.245) 9.008 1.300 ( 0.000 9.005 0.245) 9.008 1.353 ( 0.000 -12.880 3.071) 13.241 1.353 ( 0.000 12.880 3.071) 13.241 1.502 ( 0.000 -17.918 -7.279) 19.340 1.502 ( 0.000 17.918 -7.279) 19.340 2.011 ( 0.000 -5.891 -1.608) 6.106 2.011 ( 0.000 5.891 -1.608) 6.106 2.127 ( 0.000 -7.806 3.572) 8.585 2.127 ( 0.000 7.806 3.572) 8.585 2.373 ( 0.000 -2.475 -5.141) 5.706 2.373 ( 0.000 2.475 -5.141) 5.706 2.397 ( 0.000 -2.384 -0.597) 2.457 2.397 ( 0.000 2.384 -0.597) 2.457 2.666 ( 0.000 -15.401 7.737) 17.235 2.666 ( 0.000 15.401 7.737) 17.235 2.778 ( 0.000 -1.307 1.468) 1.965 2.778 ( 0.000 1.307 1.468) 1.965 2.910 ( 0.000 -7.944 2.086) 8.213 2.910 ( 0.000 7.944 2.086) 8.213 3.197 ( 0.000 -10.623 2.009) 10.811 3.197 ( 0.000 10.623 2.009) 10.811 3.665 ( 0.000 -1.303 3.315) 3.562 3.665 ( 0.000 1.303 3.315) 3.562 4.408 ( 0.000 -0.975 -5.191) 5.282 4.408 ( 0.000 0.975 -5.191) 5.282 4.580 ( 0.000 -2.340 -2.606) 3.502 4.580 ( 0.000 2.340 -2.606) 3.502 4.757 ( 0.000 -4.914 -6.440) 8.100 4.757 ( 0.000 4.914 -6.440) 8.100 4.997 ( 0.000 -6.540 -1.631) 6.740 4.997 ( 0.000 6.540 -1.631) 6.740 5.022 ( 0.000 -9.535 0.853) 9.573 5.022 ( 0.000 9.535 0.853) 9.573 5.190 ( 0.000 -3.389 0.988) 3.530 5.190 ( 0.000 3.389 0.988) 3.530 5.804 ( 0.000 -1.434 3.609) 3.883 5.804 ( 0.000 1.434 3.609) 3.883 5.971 ( 0.000 -1.995 -2.661) 3.326 5.971 ( 0.000 1.995 -2.661) 3.326 6.197 ( 0.000 -7.079 -8.194) 10.828 6.197 ( 0.000 7.079 -8.194) 10.828 6.429 ( 0.000 -4.957 1.377) 5.145 6.429 ( 0.000 4.957 1.377) 5.145 6.572 ( 0.000 -9.970 -3.518) 10.573 6.572 ( 0.000 9.970 -3.518) 10.573 6.951 ( 0.000 -1.896 -2.225) 2.923 6.951 ( 0.000 1.896 -2.225) 2.923 8.932 ( 0.000 -0.804 6.582) 6.631 8.932 ( 0.000 0.804 6.582) 6.631 9.092 ( 0.000 -2.065 6.959) 7.259 9.092 ( 0.000 2.065 6.959) 7.259 9.395 ( 0.000 -2.377 -1.837) 3.004 9.395 ( 0.000 2.377 -1.837) 3.004 9.851 ( 0.000 -5.916 6.782) 8.999 9.851 ( 0.000 5.916 6.782) 8.999 10.293 ( 0.000 -10.001 -2.104) 10.220 10.293 ( 0.000 10.001 -2.104) 10.220 10.726 ( 0.000 -4.929 -5.061) 7.065 10.726 ( 0.000 4.929 -5.061) 7.065 10.899 ( 0.000 -8.588 -6.585) 10.822 10.899 ( 0.000 8.588 -6.585) 10.822 11.321 ( 0.000 -9.761 -6.283) 11.609 11.321 ( 0.000 9.761 -6.283) 11.609 12.223 ( 0.000 -2.195 -1.541) 2.682 12.223 ( 0.000 2.195 -1.541) 2.682 12.303 ( 0.000 -2.190 5.347) 5.778 12.303 ( 0.000 2.190 5.347) 5.778 18.449 ( 0.000 -0.016 0.913) 0.913 18.449 ( 0.000 0.016 0.913) 0.913 18.594 ( 0.000 -1.801 1.889) 2.610 18.594 ( 0.000 1.801 1.889) 2.610 19.673 ( 0.000 -4.729 -11.900) 12.805 19.673 ( 0.000 4.729 -11.900) 12.805 19.754 ( 0.000 -10.077 -8.316) 13.065 19.754 ( 0.000 10.077 -8.316) 13.065 20.134 ( 0.000 -0.657 3.402) 3.465 20.134 ( 0.000 0.657 3.402) 3.465 20.335 ( 0.000 -6.750 5.991) 9.026 20.335 ( 0.000 6.750 5.991) 9.026 20.807 ( 0.000 -0.984 4.422) 4.530 20.807 ( 0.000 0.984 4.422) 4.530 20.837 ( 0.000 -1.832 7.410) 7.633 20.837 ( 0.000 1.832 7.410) 7.633 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -4.668 -1.814 3.117) 5.899 1.220 ( -4.668 1.814 3.117) 5.899 1.299 ( -5.386 -6.231 5.208) 9.744 1.299 ( -5.386 6.231 5.208) 9.744 1.568 ( 5.976 -17.209 -6.551) 19.359 1.568 ( 5.976 17.209 -6.551) 19.359 1.913 ( -8.756 -9.782 -4.297) 13.814 1.913 ( -8.756 9.782 -4.297) 13.814 2.184 ( 5.076 -5.910 0.403) 7.802 2.184 ( 5.076 5.910 0.403) 7.802 2.323 ( -1.034 -1.266 -4.578) 4.861 2.323 ( -1.034 1.266 -4.578) 4.861 2.516 ( 6.598 -4.063 0.024) 7.749 2.516 ( 6.598 4.063 0.024) 7.749 2.728 ( 1.199 -8.064 8.546) 11.811 2.728 ( 1.199 8.064 8.546) 11.811 2.761 ( 1.796 -6.381 -0.776) 6.675 2.761 ( 1.796 6.381 -0.776) 6.675 2.906 ( -0.853 -7.209 2.588) 7.707 2.906 ( -0.853 7.209 2.588) 7.707 3.263 ( 7.026 -13.095 1.922) 14.985 3.263 ( 7.026 13.095 1.922) 14.985 3.614 ( -5.375 -7.664 3.277) 9.918 3.614 ( -5.375 7.664 3.277) 9.918 4.335 ( -5.429 -1.370 -3.162) 6.430 4.335 ( -5.429 1.370 -3.162) 6.430 4.400 ( -10.524 -5.287 -3.512) 12.290 4.400 ( -10.524 5.287 -3.512) 12.290 4.872 ( 5.500 -5.849 -1.093) 8.102 4.872 ( 5.500 5.849 -1.093) 8.102 4.988 ( -1.365 -6.381 2.843) 7.118 4.988 ( -1.365 6.381 2.843) 7.118 5.086 ( 5.506 -0.789 -5.648) 7.927 5.086 ( 5.506 0.789 -5.648) 7.927 5.205 ( 0.668 -4.285 -2.978) 5.261 5.205 ( 0.668 4.285 -2.978) 5.261 5.833 ( 2.841 -3.420 3.222) 5.491 5.833 ( 2.841 3.420 3.222) 5.491 5.954 ( -1.770 -2.246 -1.828) 3.394 5.954 ( -1.770 2.246 -1.828) 3.394 6.239 ( 3.883 -6.651 -7.457) 10.720 6.239 ( 3.883 6.651 -7.457) 10.720 6.401 ( -2.677 -5.544 -1.204) 6.274 6.401 ( -2.677 5.544 -1.204) 6.274 6.619 ( 4.621 -9.208 -1.966) 10.489 6.619 ( 4.621 9.208 -1.966) 10.489 6.889 ( -5.936 -3.819 -1.944) 7.321 6.889 ( -5.936 3.819 -1.944) 7.321 8.947 ( 1.540 -0.833 6.533) 6.763 8.947 ( 1.540 0.833 6.533) 6.763 9.051 ( -3.196 -1.039 6.366) 7.199 9.051 ( -3.196 1.039 6.366) 7.199 9.477 ( 7.313 -2.835 -0.155) 7.845 9.477 ( 7.313 2.835 -0.155) 7.845 9.796 ( -5.550 -5.488 5.664) 9.644 9.796 ( -5.550 5.488 5.664) 9.644 10.317 ( 2.416 -9.816 -2.570) 10.430 10.317 ( 2.416 9.816 -2.570) 10.430 10.554 ( -10.194 -5.095 -5.387) 12.605 10.554 ( -10.194 5.095 -5.387) 12.605 11.063 ( 9.750 -7.864 -5.314) 13.607 11.063 ( 9.750 7.864 -5.314) 13.607 11.299 ( -2.351 -9.485 -5.819) 11.373 11.299 ( -2.351 9.485 -5.819) 11.373 12.232 ( 0.899 -2.337 -0.701) 2.600 12.232 ( 0.899 2.337 -0.701) 2.600 12.289 ( -1.339 -2.379 4.176) 4.989 12.289 ( -1.339 2.379 4.176) 4.989 18.482 ( 2.951 -0.599 0.979) 3.166 18.482 ( 2.951 0.599 0.979) 3.166 18.584 ( -1.182 -1.743 1.696) 2.704 18.584 ( -1.182 1.743 1.696) 2.704 19.679 ( 0.768 -5.377 -11.488) 12.707 19.679 ( 0.768 5.377 -11.488) 12.707 19.740 ( -1.397 -9.326 -9.050) 13.070 19.740 ( -1.397 9.326 -9.050) 13.070 20.151 ( 1.907 -3.500 4.173) 5.771 20.151 ( 1.907 3.500 4.173) 5.771 20.293 ( -3.755 -6.598 6.029) 9.694 20.293 ( -3.755 6.598 6.029) 9.694 20.817 ( 0.878 -0.954 4.678) 4.854 20.817 ( 0.878 0.954 4.678) 4.854 20.839 ( 0.058 -1.592 6.683) 6.870 20.839 ( 0.058 1.592 6.683) 6.870 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -2.886 -5.587 6.386) 8.962 1.198 ( 2.794 -5.576 6.386) 8.926 1.198 ( -2.794 5.576 6.386) 8.926 1.198 ( 2.886 5.587 6.386) 8.962 1.724 ( -9.327 -14.180 -5.768) 17.927 1.724 ( 9.085 -14.141 -5.768) 17.770 1.724 ( -9.085 14.141 -5.768) 17.770 1.724 ( 9.327 14.180 -5.768) 17.927 2.281 ( -3.618 -4.484 -4.121) 7.084 2.281 ( 2.679 -4.316 -4.121) 6.541 2.281 ( -2.679 4.316 -4.121) 6.541 2.281 ( 3.618 4.484 -4.121) 7.084 2.646 ( -6.166 -3.896 2.281) 7.642 2.646 ( 6.164 -3.895 2.281) 7.640 2.646 ( -6.164 3.895 2.281) 7.640 2.646 ( 6.166 3.896 2.281) 7.642 2.858 ( -4.097 -7.847 3.026) 9.355 2.858 ( 3.908 -7.823 3.026) 9.253 2.858 ( -3.908 7.823 3.026) 9.253 2.858 ( 4.097 7.847 3.026) 9.355 3.451 ( -10.393 -14.053 2.575) 17.667 3.451 ( 10.356 -14.046 2.575) 17.640 3.451 ( -10.356 14.046 2.575) 17.640 3.451 ( 10.393 14.053 2.575) 17.667 4.277 ( -1.089 -2.359 -2.030) 3.298 4.277 ( 1.011 -2.351 -2.030) 3.266 4.277 ( -1.011 2.351 -2.030) 3.266 4.277 ( 1.089 2.359 -2.030) 3.298 4.948 ( -2.624 -5.815 2.340) 6.795 4.948 ( 2.482 -5.799 2.340) 6.728 4.948 ( -2.482 5.799 2.340) 6.728 4.948 ( 2.624 5.815 2.340) 6.795 5.182 ( -2.216 -8.834 -6.551) 11.219 5.182 ( 1.346 -8.790 -6.551) 11.045 5.182 ( -1.346 8.790 -6.551) 11.045 5.182 ( 2.216 8.834 -6.551) 11.219 5.901 ( -3.427 -3.395 0.690) 4.873 5.901 ( 3.385 -3.385 0.690) 4.836 5.901 ( -3.385 3.385 0.690) 4.836 5.901 ( 3.427 3.395 0.690) 4.873 6.328 ( -4.246 -6.603 -4.817) 9.211 6.328 ( 3.451 -6.486 -4.817) 8.786 6.328 ( -3.451 6.486 -4.817) 8.786 6.328 ( 4.246 6.603 -4.817) 9.211 6.745 ( -7.682 -6.892 -1.402) 10.415 6.745 ( 7.615 -6.873 -1.402) 10.353 6.745 ( -7.615 6.873 -1.402) 10.353 6.745 ( 7.682 6.892 -1.402) 10.415 8.990 ( -2.245 -1.430 6.327) 6.864 8.990 ( -1.122 -1.048 6.327) 6.511 8.990 ( 1.122 1.048 6.327) 6.511 8.990 ( 2.245 1.430 6.327) 6.864 9.646 ( -7.764 -6.552 2.774) 10.531 9.646 ( 0.141 -5.279 2.774) 5.965 9.646 ( -0.141 5.279 2.774) 5.965 9.646 ( 7.764 6.552 2.774) 10.531 10.395 ( -5.717 -8.671 -3.934) 11.106 10.395 ( 5.528 -8.641 -3.934) 10.986 10.395 ( -5.528 8.641 -3.934) 10.986 10.395 ( 5.717 8.671 -3.934) 11.106 11.220 ( -5.169 -10.881 -5.079) 13.073 11.220 ( 3.955 -10.753 -5.079) 12.533 11.220 ( -3.955 10.753 -5.079) 12.533 11.220 ( 5.169 10.881 -5.079) 13.073 12.258 ( -1.577 -2.570 1.571) 3.400 12.258 ( 1.522 -2.562 1.571) 3.369 12.258 ( -1.522 2.562 1.571) 3.369 12.258 ( 1.577 2.570 1.571) 3.400 18.544 ( -2.402 -2.077 1.278) 3.423 18.544 ( -0.018 -1.694 1.278) 2.122 18.544 ( 0.018 1.694 1.278) 2.122 18.544 ( 2.402 2.077 1.278) 3.423 19.705 ( -1.796 -7.288 -10.414) 12.837 19.705 ( 1.796 -7.288 -10.414) 12.837 19.705 ( -1.796 7.288 -10.414) 12.837 19.705 ( 1.796 7.288 -10.414) 12.837 20.211 ( -3.685 -6.451 5.462) 9.221 20.211 ( 3.047 -6.367 5.462) 8.925 20.211 ( -3.047 6.367 5.462) 8.925 20.211 ( 3.685 6.451 5.462) 9.221 20.834 ( -0.666 -1.087 5.471) 5.618 20.834 ( 0.663 -1.087 5.471) 5.617 20.834 ( -0.663 1.087 5.471) 5.617 20.834 ( 0.666 1.087 5.471) 5.618 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 0.000 1.907) 1.907 0.929 ( 0.000 0.000 15.278) 15.278 1.016 ( 0.000 0.000 21.883) 21.883 1.443 ( 0.000 0.000 -14.454) 14.454 1.545 ( 0.000 0.000 -7.693) 7.693 1.730 ( 0.000 0.000 -7.910) 7.910 1.735 ( 0.000 0.000 -0.930) 0.930 1.742 ( 0.000 0.000 38.559) 38.559 1.878 ( 0.000 0.000 3.053) 3.053 1.947 ( 0.000 0.000 -9.173) 9.173 2.002 ( 0.000 0.000 -11.788) 11.788 2.191 ( 0.000 0.000 3.902) 3.902 2.339 ( 0.000 0.000 -12.498) 12.498 2.625 ( 0.000 0.000 2.696) 2.696 2.652 ( 0.000 0.000 -3.219) 3.219 2.666 ( 0.000 0.000 9.995) 9.995 2.711 ( 0.000 0.000 0.487) 0.487 2.754 ( 0.000 0.000 5.827) 5.827 2.783 ( 0.000 0.000 -7.589) 7.589 3.032 ( 0.000 0.000 4.991) 4.991 3.080 ( 0.000 0.000 8.712) 8.712 3.683 ( 0.000 0.000 9.426) 9.426 3.684 ( 0.000 0.000 -9.530) 9.530 3.783 ( 0.000 0.000 -8.451) 8.451 4.145 ( 0.000 0.000 -4.145) 4.145 4.219 ( 0.000 0.000 -3.977) 3.977 4.230 ( 0.000 0.000 -6.535) 6.535 4.439 ( 0.000 0.000 -14.549) 14.549 4.487 ( 0.000 0.000 0.254) 0.254 4.650 ( 0.000 0.000 -2.168) 2.168 4.736 ( 0.000 0.000 -4.664) 4.664 4.853 ( 0.000 0.000 -9.648) 9.648 5.196 ( 0.000 0.000 4.472) 4.472 5.332 ( 0.000 0.000 -5.155) 5.155 5.379 ( 0.000 0.000 -4.794) 4.794 5.489 ( 0.000 0.000 -3.251) 3.251 5.735 ( 0.000 0.000 -0.366) 0.366 5.829 ( 0.000 0.000 1.873) 1.873 5.930 ( 0.000 0.000 -0.167) 0.167 6.065 ( 0.000 0.000 -6.022) 6.022 6.084 ( 0.000 0.000 7.185) 7.185 6.167 ( 0.000 0.000 7.427) 7.427 6.371 ( 0.000 0.000 -11.711) 11.711 6.403 ( 0.000 0.000 -11.899) 11.899 6.504 ( 0.000 0.000 -11.852) 11.852 6.593 ( 0.000 0.000 -2.685) 2.685 6.720 ( 0.000 0.000 -3.450) 3.450 6.850 ( 0.000 0.000 5.340) 5.340 8.831 ( 0.000 0.000 -5.930) 5.930 8.878 ( 0.000 0.000 -6.579) 6.579 9.096 ( 0.000 0.000 -0.075) 0.075 9.436 ( 0.000 0.000 17.417) 17.417 9.479 ( 0.000 0.000 19.890) 19.890 9.489 ( 0.000 0.000 -1.613) 1.613 9.785 ( 0.000 0.000 12.200) 12.200 10.085 ( 0.000 0.000 10.683) 10.683 10.095 ( 0.000 0.000 7.745) 7.745 10.122 ( 0.000 0.000 8.930) 8.930 10.234 ( 0.000 0.000 -3.400) 3.400 10.705 ( 0.000 0.000 -3.176) 3.176 10.849 ( 0.000 0.000 -6.974) 6.974 11.037 ( 0.000 0.000 -3.838) 3.838 11.653 ( 0.000 0.000 2.139) 2.139 11.981 ( 0.000 0.000 -4.861) 4.861 12.021 ( 0.000 0.000 -14.612) 14.612 12.072 ( 0.000 0.000 -15.257) 15.257 12.094 ( 0.000 0.000 4.631) 4.631 12.434 ( 0.000 0.000 -0.651) 0.651 18.458 ( 0.000 0.000 -2.277) 2.277 18.478 ( 0.000 0.000 -0.804) 0.804 18.812 ( 0.000 0.000 4.843) 4.843 18.826 ( 0.000 0.000 1.139) 1.139 18.932 ( 0.000 0.000 0.814) 0.814 18.967 ( 0.000 0.000 -0.822) 0.822 19.116 ( 0.000 0.000 -2.445) 2.445 19.551 ( 0.000 0.000 -14.718) 14.718 20.057 ( 0.000 0.000 2.750) 2.750 20.328 ( 0.000 0.000 -2.166) 2.166 20.370 ( 0.000 0.000 0.807) 0.807 20.552 ( 0.000 0.000 0.900) 0.900 20.870 ( 0.000 0.000 1.548) 1.548 20.917 ( 0.000 0.000 2.094) 2.094 21.080 ( 0.000 0.000 12.781) 12.781 21.814 ( 0.000 0.000 -1.504) 1.504 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 12.748 0.000 0.209) 12.749 0.905 ( 0.428 0.000 15.787) 15.793 1.074 ( 4.367 0.000 17.054) 17.604 1.279 ( -13.932 0.000 0.866) 13.959 1.474 ( -5.672 0.000 -4.507) 7.245 1.634 ( -8.853 0.000 5.461) 10.402 1.763 ( 7.189 0.000 -6.634) 9.782 1.871 ( 0.884 0.000 -9.153) 9.195 1.880 ( 3.901 0.000 4.634) 6.057 1.966 ( -2.834 0.000 -12.678) 12.991 2.089 ( 11.686 0.000 6.688) 13.464 2.310 ( 1.632 0.000 -6.458) 6.662 2.319 ( 9.930 0.000 4.768) 11.015 2.532 ( -8.530 0.000 3.885) 9.374 2.668 ( -2.918 0.000 2.534) 3.865 2.688 ( 3.683 0.000 4.476) 5.796 2.696 ( -0.603 0.000 -3.329) 3.383 2.727 ( -2.820 0.000 7.400) 7.919 2.783 ( -0.946 0.000 -4.711) 4.805 3.007 ( -1.974 0.000 3.923) 4.391 3.149 ( 4.613 0.000 5.863) 7.460 3.387 ( -14.302 0.000 5.101) 15.184 3.815 ( 4.388 0.000 -10.738) 11.600 3.871 ( 4.532 0.000 -7.507) 8.769 4.156 ( 1.051 0.000 -3.986) 4.122 4.208 ( -1.032 0.000 -3.813) 3.950 4.234 ( 0.465 0.000 -4.114) 4.141 4.358 ( -6.210 0.000 -11.687) 13.234 4.513 ( 2.420 0.000 -0.110) 2.422 4.627 ( -2.177 0.000 -1.754) 2.796 4.818 ( 6.961 0.000 -7.383) 10.147 4.946 ( 5.768 0.000 -13.041) 14.260 5.161 ( -1.676 0.000 6.166) 6.389 5.305 ( -3.069 0.000 -2.861) 4.196 5.395 ( 1.539 0.000 -4.622) 4.871 5.471 ( -1.610 0.000 -3.451) 3.808 5.773 ( 3.884 0.000 -2.422) 4.577 5.864 ( 3.240 0.000 -0.608) 3.297 5.946 ( 1.278 0.000 -0.804) 1.510 6.039 ( -1.942 0.000 -3.457) 3.965 6.047 ( -5.960 0.000 -2.762) 6.568 6.128 ( -3.597 0.000 7.926) 8.704 6.324 ( 1.677 0.000 -2.275) 2.827 6.461 ( 1.463 0.000 -9.276) 9.390 6.523 ( 1.726 0.000 -10.479) 10.620 6.585 ( -0.821 0.000 -4.193) 4.272 6.674 ( -1.229 0.000 0.006) 1.229 6.846 ( -2.884 0.000 3.687) 4.682 8.838 ( 0.653 0.000 -6.032) 6.067 8.871 ( -0.672 0.000 -6.490) 6.524 9.156 ( 5.843 0.000 0.254) 5.848 9.444 ( 0.719 0.000 17.792) 17.806 9.448 ( -4.917 0.000 -0.031) 4.917 9.474 ( -0.506 0.000 19.543) 19.550 9.839 ( 5.748 0.000 9.699) 11.274 10.079 ( -2.181 0.000 7.096) 7.424 10.090 ( 0.530 0.000 10.420) 10.434 10.117 ( -0.520 0.000 9.180) 9.195 10.241 ( 1.171 0.000 -3.545) 3.733 10.495 ( -12.533 0.000 -4.314) 13.254 10.985 ( 6.451 0.000 -6.559) 9.200 11.074 ( 2.255 0.000 -4.478) 5.013 11.697 ( 4.549 0.000 1.319) 4.737 11.944 ( -4.407 0.000 -0.579) 4.445 12.028 ( 0.705 0.000 -14.702) 14.719 12.064 ( -0.735 0.000 -15.158) 15.175 12.124 ( 3.742 0.000 2.263) 4.373 12.363 ( -6.133 0.000 1.665) 6.355 18.486 ( 2.140 0.000 -1.453) 2.587 18.533 ( 2.794 0.000 -3.778) 4.699 18.835 ( 0.906 0.000 1.093) 1.420 18.898 ( -2.122 0.000 0.739) 2.247 18.902 ( 10.282 0.000 0.618) 10.300 19.008 ( 2.710 0.000 -0.937) 2.867 19.101 ( -1.497 0.000 -2.210) 2.669 19.439 ( -10.477 0.000 -12.124) 16.024 20.099 ( 3.636 0.000 0.299) 3.648 20.269 ( -4.157 0.000 -1.853) 4.551 20.420 ( 3.228 0.000 0.333) 3.245 20.533 ( -1.843 0.000 0.689) 1.967 20.874 ( 0.472 0.000 1.635) 1.702 20.903 ( -0.952 0.000 2.229) 2.424 21.162 ( 7.716 0.000 12.927) 15.055 21.651 ( -13.908 0.000 5.526) 14.966 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -10.746 0.000 10.636) 15.120 1.017 ( 10.746 0.000 10.636) 15.120 1.049 ( -9.375 0.000 1.653) 9.520 1.049 ( 9.375 0.000 1.653) 9.520 1.458 ( -6.383 0.000 8.444) 10.585 1.458 ( 6.383 0.000 8.444) 10.585 1.874 ( -3.752 0.000 -12.974) 13.505 1.874 ( 3.752 0.000 -12.974) 13.505 1.909 ( -2.616 0.000 -12.768) 13.033 1.909 ( 2.616 0.000 -12.768) 13.033 2.313 ( -11.756 0.000 6.637) 13.500 2.313 ( 11.756 0.000 6.637) 13.500 2.515 ( -14.159 0.000 10.920) 17.881 2.515 ( 14.159 0.000 10.920) 17.881 2.518 ( -9.516 0.000 4.338) 10.458 2.518 ( 9.516 0.000 4.338) 10.458 2.745 ( -2.696 0.000 -4.969) 5.653 2.745 ( 2.696 0.000 -4.969) 5.653 2.867 ( -10.874 0.000 1.093) 10.929 2.867 ( 10.874 0.000 1.093) 10.929 3.227 ( -3.726 0.000 5.710) 6.818 3.227 ( 3.726 0.000 5.710) 6.818 3.893 ( -2.238 0.000 -12.407) 12.607 3.893 ( 2.238 0.000 -12.407) 12.607 4.182 ( -1.449 0.000 -3.753) 4.022 4.182 ( 1.449 0.000 -3.753) 4.022 4.260 ( -2.883 0.000 -5.319) 6.050 4.260 ( 2.883 0.000 -5.319) 6.050 4.571 ( -3.192 0.000 -0.895) 3.315 4.571 ( 3.192 0.000 -0.895) 3.315 4.948 ( -4.978 0.000 -11.061) 12.129 4.948 ( 4.978 0.000 -11.061) 12.129 5.213 ( -5.582 0.000 2.029) 5.939 5.213 ( 5.582 0.000 2.029) 5.939 5.433 ( -2.109 0.000 -4.066) 4.580 5.433 ( 2.109 0.000 -4.066) 4.580 5.890 ( -7.822 0.000 -5.703) 9.680 5.890 ( 7.822 0.000 -5.703) 9.680 5.934 ( -3.039 0.000 -5.646) 6.412 5.934 ( 3.039 0.000 -5.646) 6.412 6.049 ( -3.490 0.000 7.181) 7.984 6.049 ( 3.490 0.000 7.181) 7.984 6.416 ( -5.191 0.000 -3.416) 6.214 6.416 ( 5.191 0.000 -3.416) 6.214 6.560 ( -1.723 0.000 -7.418) 7.616 6.560 ( 1.723 0.000 -7.418) 7.616 6.737 ( -6.458 0.000 3.208) 7.211 6.737 ( 6.458 0.000 3.208) 7.211 8.854 ( -0.930 0.000 -6.267) 6.336 8.854 ( 0.930 0.000 -6.267) 6.336 9.305 ( -8.467 0.000 0.890) 8.514 9.305 ( 8.467 0.000 0.890) 8.514 9.460 ( -0.859 0.000 18.682) 18.701 9.460 ( 0.859 0.000 18.682) 18.701 9.983 ( -7.364 0.000 8.209) 11.028 9.983 ( 7.364 0.000 8.209) 11.028 10.103 ( -0.745 0.000 9.794) 9.822 10.103 ( 0.745 0.000 9.794) 9.822 10.306 ( -6.055 0.000 -5.480) 8.167 10.306 ( 6.055 0.000 -5.480) 8.167 11.074 ( -2.487 0.000 -5.672) 6.193 11.074 ( 2.487 0.000 -5.672) 6.193 11.821 ( -7.211 0.000 0.917) 7.270 11.821 ( 7.211 0.000 0.917) 7.270 12.046 ( -1.019 0.000 -14.925) 14.959 12.046 ( 1.019 0.000 -14.925) 14.959 12.232 ( -6.568 0.000 2.708) 7.104 12.232 ( 6.568 0.000 2.708) 7.104 18.532 ( -2.011 0.000 -2.116) 2.919 18.532 ( 2.011 0.000 -2.116) 2.919 18.860 ( -1.648 0.000 0.955) 1.904 18.860 ( 1.648 0.000 0.955) 1.904 19.060 ( -2.481 0.000 -1.613) 2.959 19.060 ( 2.481 0.000 -1.613) 2.959 19.176 ( -15.141 0.000 -7.798) 17.031 19.176 ( 15.141 0.000 -7.798) 17.031 20.182 ( -4.476 0.000 -1.725) 4.796 20.182 ( 4.476 0.000 -1.725) 4.796 20.483 ( -3.020 0.000 0.430) 3.050 20.483 ( 3.020 0.000 0.430) 3.050 20.887 ( -0.729 0.000 1.920) 2.054 20.887 ( 0.729 0.000 1.920) 2.054 21.369 ( -13.058 0.000 12.079) 17.788 21.369 ( 13.058 0.000 12.079) 17.788 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.000 14.285 4.334) 14.928 1.011 ( 0.000 7.080 11.791) 13.753 1.017 ( 0.000 2.480 20.784) 20.932 1.389 ( 0.000 -2.175 -9.998) 10.232 1.579 ( 0.000 1.446 -6.930) 7.079 1.728 ( 0.000 -0.497 -4.642) 4.668 1.774 ( 0.000 2.276 -3.032) 3.792 1.928 ( 0.000 6.866 3.220) 7.584 1.957 ( 0.000 2.688 -11.115) 11.435 2.012 ( 0.000 8.834 3.266) 9.418 2.073 ( 0.000 14.587 13.945) 20.180 2.221 ( 0.000 1.255 8.443) 8.536 2.329 ( 0.000 -1.345 -10.737) 10.821 2.564 ( 0.000 -6.318 -3.046) 7.014 2.588 ( 0.000 -4.220 11.234) 12.001 2.637 ( 0.000 1.502 0.719) 1.665 2.675 ( 0.000 0.877 -5.834) 5.900 2.786 ( 0.000 0.968 6.255) 6.330 2.916 ( 0.000 6.074 -2.380) 6.524 3.054 ( 0.000 2.185 4.502) 5.004 3.083 ( 0.000 0.421 9.278) 9.287 3.695 ( 0.000 1.471 -6.045) 6.222 3.705 ( 0.000 0.216 2.423) 2.433 3.728 ( 0.000 -3.776 -0.249) 3.784 4.163 ( 0.000 0.569 -7.794) 7.815 4.209 ( 0.000 -0.031 -6.695) 6.695 4.292 ( 0.000 4.482 -5.914) 7.420 4.372 ( 0.000 -3.799 -8.313) 9.140 4.558 ( 0.000 6.280 -4.001) 7.446 4.690 ( 0.000 1.151 -7.262) 7.353 4.732 ( 0.000 -0.050 -5.417) 5.417 4.820 ( 0.000 -2.711 -10.638) 10.978 5.130 ( 0.000 -3.446 4.197) 5.431 5.272 ( 0.000 -5.035 -2.595) 5.664 5.455 ( 0.000 5.730 -2.832) 6.392 5.554 ( 0.000 0.384 -3.016) 3.040 5.662 ( 0.000 -2.525 -0.316) 2.544 5.881 ( 0.000 3.552 1.744) 3.957 5.966 ( 0.000 -8.823 3.287) 9.416 6.039 ( 0.000 5.398 -5.875) 7.978 6.070 ( 0.000 3.899 1.637) 4.229 6.125 ( 0.000 -6.695 3.718) 7.658 6.320 ( 0.000 -0.877 -2.892) 3.022 6.336 ( 0.000 -5.605 -8.894) 10.513 6.526 ( 0.000 1.918 -11.825) 11.980 6.595 ( 0.000 -0.842 -3.950) 4.039 6.742 ( 0.000 2.591 -2.475) 3.583 6.857 ( 0.000 0.760 2.164) 2.293 8.920 ( 0.000 3.561 -4.047) 5.391 8.941 ( 0.000 7.761 -3.014) 8.326 9.134 ( 0.000 3.507 0.177) 3.512 9.410 ( 0.000 -3.790 15.906) 16.351 9.440 ( 0.000 -1.891 12.638) 12.779 9.512 ( 0.000 0.097 5.656) 5.657 9.855 ( 0.000 6.761 11.560) 13.392 10.013 ( 0.000 -3.811 5.686) 6.845 10.071 ( 0.000 0.854 4.089) 4.177 10.159 ( 0.000 1.096 6.686) 6.775 10.317 ( 0.000 6.798 -1.510) 6.963 10.687 ( 0.000 -1.245 -3.174) 3.410 10.822 ( 0.000 -3.040 -7.615) 8.199 10.949 ( 0.000 -7.388 -4.244) 8.521 11.527 ( 0.000 -9.284 -0.896) 9.327 11.755 ( 0.000 -14.270 -9.430) 17.104 12.086 ( 0.000 4.042 -9.392) 10.225 12.095 ( 0.000 1.600 -2.429) 2.909 12.230 ( 0.000 6.484 -3.599) 7.416 12.425 ( 0.000 -0.766 1.115) 1.353 18.455 ( 0.000 -0.019 -1.306) 1.306 18.470 ( 0.000 -0.495 -0.494) 0.699 18.742 ( 0.000 -4.633 4.307) 6.326 18.836 ( 0.000 -4.585 0.064) 4.585 19.051 ( 0.000 14.207 -3.204) 14.564 19.087 ( 0.000 9.967 -2.806) 10.354 19.222 ( 0.000 8.045 -2.734) 8.497 19.590 ( 0.000 2.734 -14.369) 14.626 20.098 ( 0.000 3.808 3.248) 5.005 20.307 ( 0.000 -2.052 -1.366) 2.465 20.353 ( 0.000 -1.645 1.111) 1.985 20.539 ( 0.000 -1.189 0.741) 1.400 20.870 ( 0.000 0.173 2.062) 2.069 20.913 ( 0.000 -0.287 2.558) 2.574 21.046 ( 0.000 -2.789 11.839) 12.163 21.603 ( 0.000 -16.488 5.352) 17.334 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 8.095 10.183 5.109) 13.976 0.997 ( 1.841 8.037 8.207) 11.633 1.108 ( 6.788 3.722 16.955) 18.639 1.296 ( -9.156 1.627 -0.777) 9.332 1.490 ( -7.032 0.919 -3.642) 7.972 1.640 ( -8.378 0.960 3.524) 9.139 1.801 ( 3.307 1.920 -7.507) 8.425 1.936 ( 0.528 3.515 -5.674) 6.696 1.961 ( 0.201 3.834 -9.731) 10.461 1.999 ( -1.978 4.008 -9.925) 10.885 2.192 ( 11.374 11.062 14.842) 21.726 2.265 ( -1.044 -2.680 -5.295) 6.026 2.380 ( 11.069 4.869 9.658) 15.476 2.482 ( -7.172 -4.722 0.551) 8.604 2.590 ( -2.420 -1.239 3.324) 4.294 2.670 ( 3.127 0.622 2.721) 4.191 2.720 ( 1.771 1.318 -3.664) 4.278 2.768 ( 0.230 1.311 5.052) 5.224 2.908 ( -2.065 6.999 0.919) 7.354 3.022 ( -1.534 1.285 3.915) 4.397 3.137 ( 3.785 -0.631 6.985) 7.969 3.413 ( -15.364 2.951 4.308) 16.227 3.765 ( 4.295 -4.771 -8.035) 10.285 3.855 ( 3.183 -1.091 -3.763) 5.048 4.167 ( 0.363 -0.081 -6.901) 6.911 4.203 ( -0.771 -0.343 -6.668) 6.722 4.290 ( -0.061 4.288 -4.425) 6.162 4.338 ( -3.037 -0.431 -8.222) 8.776 4.522 ( -0.911 0.837 -2.220) 2.542 4.610 ( -4.448 -1.304 -4.169) 6.235 4.835 ( 7.238 1.690 -8.101) 10.995 4.933 ( 6.278 -1.264 -13.253) 14.719 5.110 ( -1.057 -2.910 5.159) 6.016 5.241 ( -3.173 -5.002 -1.222) 6.048 5.480 ( 2.298 6.047 -3.023) 7.140 5.556 ( -0.275 3.140 -3.735) 4.887 5.679 ( 2.238 -5.344 -1.226) 5.922 5.869 ( -3.547 -5.189 -1.999) 6.596 5.946 ( 0.581 -0.984 0.595) 1.288 6.027 ( -1.623 1.583 -7.142) 7.493 6.066 ( -0.627 3.226 2.274) 3.996 6.119 ( -0.029 1.021 6.442) 6.523 6.327 ( 2.939 -0.069 -0.822) 3.053 6.394 ( 3.276 -5.103 -7.176) 9.395 6.528 ( 0.237 -0.153 -8.711) 8.716 6.594 ( -0.895 0.733 -7.123) 7.216 6.700 ( -1.944 2.204 0.488) 2.979 6.833 ( -3.303 -0.309 1.107) 3.497 8.923 ( 0.357 4.908 -3.739) 6.180 8.942 ( -0.093 7.114 -3.390) 7.881 9.181 ( 4.340 2.209 1.127) 4.999 9.351 ( -3.611 -3.625 10.043) 11.272 9.457 ( 1.326 -1.092 16.595) 16.684 9.549 ( 0.755 2.110 8.705) 8.989 9.840 ( 0.348 2.100 9.884) 10.111 9.988 ( -2.608 -4.278 6.630) 8.311 10.087 ( 1.623 0.670 4.812) 5.122 10.168 ( 0.052 1.965 5.330) 5.681 10.308 ( -0.235 5.394 -1.909) 5.726 10.497 ( -10.801 0.079 -4.314) 11.630 10.953 ( 5.832 -2.769 -6.712) 9.313 11.001 ( 3.837 -6.205 -4.853) 8.762 11.560 ( 3.395 -10.014 -2.530) 10.872 11.726 ( -2.851 -13.762 -8.266) 16.305 12.098 ( 1.606 4.179 -8.263) 9.398 12.140 ( 3.928 1.572 -0.338) 4.244 12.205 ( -2.263 6.542 -5.457) 8.814 12.365 ( -5.376 0.064 1.941) 5.716 18.482 ( 1.949 -0.182 -0.896) 2.153 18.508 ( 2.560 -1.250 -1.956) 3.456 18.760 ( 1.939 -5.642 3.774) 7.059 18.831 ( -0.629 -5.219 0.595) 5.291 19.069 ( 1.788 12.503 -4.303) 13.343 19.104 ( 1.250 9.417 -3.400) 10.090 19.231 ( 1.756 9.382 -3.363) 10.120 19.510 ( -7.491 5.050 -12.159) 15.148 20.122 ( 2.212 2.183 1.270) 3.357 20.253 ( -3.691 -1.288 -1.097) 4.060 20.402 ( 3.340 -1.816 0.719) 3.869 20.520 ( -1.885 -1.262 0.630) 2.354 20.876 ( 0.548 0.252 2.140) 2.224 20.903 ( -0.715 0.067 2.655) 2.750 21.113 ( 6.300 -4.110 12.064) 14.217 21.491 ( -9.909 -12.920 8.644) 18.435 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -6.263 5.555 4.813) 9.657 1.069 ( 6.263 5.555 4.813) 9.657 1.159 ( -4.973 7.741 5.239) 10.588 1.159 ( 4.973 7.741 5.239) 10.588 1.455 ( -7.102 -0.050 8.674) 11.210 1.455 ( 7.102 -0.050 8.674) 11.210 1.889 ( -5.148 0.429 -11.341) 12.462 1.889 ( 5.148 0.429 -11.341) 12.462 1.972 ( -1.862 5.028 -12.124) 13.256 1.972 ( 1.862 5.028 -12.124) 13.256 2.315 ( -7.825 -2.592 -0.723) 8.274 2.315 ( 7.825 -2.592 -0.723) 8.274 2.458 ( -10.597 2.009 8.028) 13.445 2.458 ( 10.597 2.009 8.028) 13.445 2.598 ( -9.437 4.956 8.231) 13.467 2.598 ( 9.437 4.956 8.231) 13.467 2.781 ( -3.527 0.984 0.176) 3.665 2.781 ( 3.527 0.984 0.176) 3.665 2.931 ( -7.546 5.697 2.382) 9.751 2.931 ( 7.546 5.697 2.382) 9.751 3.211 ( -4.636 -0.655 5.061) 6.895 3.211 ( 4.636 -0.655 5.061) 6.895 3.850 ( -3.151 -3.505 -8.748) 9.937 3.850 ( 3.151 -3.505 -8.748) 9.937 4.180 ( -1.160 -0.869 -5.884) 6.060 4.180 ( 1.160 -0.869 -5.884) 6.060 4.294 ( -0.849 3.073 -5.004) 5.934 4.294 ( 0.849 3.073 -5.004) 5.934 4.542 ( -2.467 -1.766 -2.264) 3.785 4.542 ( 2.467 -1.766 -2.264) 3.785 4.954 ( -3.928 0.830 -10.941) 11.655 4.954 ( 3.928 0.830 -10.941) 11.655 5.154 ( -4.948 -4.365 1.802) 6.840 5.154 ( 4.948 -4.365 1.802) 6.840 5.530 ( -2.282 5.840 -3.355) 7.111 5.530 ( 2.282 5.840 -3.355) 7.111 5.761 ( -5.676 -8.464 -3.995) 10.946 5.761 ( 5.676 -8.464 -3.995) 10.946 5.985 ( -2.391 1.723 -4.126) 5.070 5.985 ( 2.391 1.723 -4.126) 5.070 6.088 ( -2.413 3.919 5.322) 7.036 6.088 ( 2.413 3.919 5.322) 7.036 6.411 ( -2.879 -1.262 -4.356) 5.372 6.411 ( 2.879 -1.262 -4.356) 5.372 6.544 ( -2.164 -0.859 -4.807) 5.341 6.544 ( 2.164 -0.859 -4.807) 5.341 6.738 ( -4.952 0.464 -0.012) 4.974 6.738 ( 4.952 0.464 -0.012) 4.974 8.934 ( -0.659 6.334 -3.617) 7.324 8.934 ( 0.659 6.334 -3.617) 7.324 9.276 ( -4.454 -1.940 5.147) 7.078 9.276 ( 4.454 -1.940 5.147) 7.078 9.505 ( -3.525 3.021 14.378) 15.109 9.505 ( 3.525 3.021 14.378) 15.109 9.907 ( -5.142 -4.140 7.579) 10.051 9.907 ( 5.142 -4.140 7.579) 10.051 10.134 ( -2.879 1.336 5.601) 6.438 10.134 ( 2.879 1.336 5.601) 6.438 10.345 ( -4.459 3.306 -4.395) 7.081 10.345 ( 4.459 3.306 -4.395) 7.081 11.028 ( -1.557 -3.914 -5.814) 7.179 11.028 ( 1.557 -3.914 -5.814) 7.179 11.648 ( -4.796 -12.026 -5.618) 14.113 11.648 ( 4.796 -12.026 -5.618) 14.113 12.145 ( -2.912 5.294 -5.984) 8.504 12.145 ( 2.912 5.294 -5.984) 8.504 12.246 ( -6.009 1.283 0.823) 6.199 12.246 ( 6.009 1.283 0.823) 6.199 18.519 ( -1.261 -0.643 -1.360) 1.963 18.519 ( 1.261 -0.643 -1.360) 1.963 18.805 ( -2.057 -5.995 2.052) 6.662 18.805 ( 2.057 -5.995 2.052) 6.662 19.105 ( -1.307 8.600 -4.103) 9.618 19.105 ( 1.307 8.600 -4.103) 9.618 19.336 ( -8.587 9.526 -7.975) 15.102 19.336 ( 8.587 9.526 -7.975) 15.102 20.180 ( -3.531 0.004 -0.743) 3.609 20.180 ( 3.531 0.004 -0.743) 3.609 20.468 ( -3.175 -1.530 0.603) 3.576 20.468 ( 3.175 -1.530 0.603) 3.576 20.889 ( -0.710 0.308 2.386) 2.508 20.889 ( 0.710 0.308 2.386) 2.508 21.280 ( -10.235 -7.513 11.913) 17.411 21.280 ( 10.235 -7.513 11.913) 17.411 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 12.065 4.312) 12.812 1.168 ( 0.000 10.925 12.360) 16.497 1.201 ( 0.000 10.597 7.671) 13.082 1.371 ( 0.000 -0.513 -4.273) 4.303 1.561 ( 0.000 -3.462 -4.079) 5.350 1.647 ( 0.000 -7.165 -3.695) 8.062 1.843 ( 0.000 4.178 -4.747) 6.324 1.977 ( 0.000 -0.069 -8.643) 8.643 2.069 ( 0.000 5.280 -12.545) 13.611 2.153 ( 0.000 3.872 -1.092) 4.023 2.219 ( 0.000 0.112 14.571) 14.571 2.258 ( 0.000 -4.017 -8.962) 9.821 2.453 ( 0.000 -3.524 -3.278) 4.812 2.513 ( 0.000 1.613 9.907) 10.037 2.541 ( 0.000 16.096 20.116) 25.763 2.719 ( 0.000 2.185 -4.378) 4.893 2.744 ( 0.000 9.292 2.318) 9.577 2.786 ( 0.000 0.379 4.454) 4.470 2.961 ( 0.000 -1.920 -0.411) 1.963 3.106 ( 0.000 0.805 8.846) 8.883 3.125 ( 0.000 4.258 3.566) 5.555 3.538 ( 0.000 -11.776 1.348) 11.853 3.734 ( 0.000 1.482 0.612) 1.603 3.741 ( 0.000 0.595 5.422) 5.455 4.203 ( 0.000 3.498 -10.044) 10.636 4.278 ( 0.000 7.033 -10.158) 12.355 4.320 ( 0.000 -1.349 -5.690) 5.848 4.379 ( 0.000 4.066 -7.410) 8.453 4.652 ( 0.000 -4.374 -9.979) 10.896 4.656 ( 0.000 -1.700 -13.009) 13.120 4.752 ( 0.000 2.621 -7.210) 7.672 4.788 ( 0.000 2.953 -7.614) 8.166 5.112 ( 0.000 2.030 2.702) 3.380 5.145 ( 0.000 -5.806 1.291) 5.948 5.367 ( 0.000 -12.333 2.009) 12.495 5.491 ( 0.000 -8.590 5.603) 10.256 5.759 ( 0.000 6.695 -1.505) 6.862 5.772 ( 0.000 1.032 -7.399) 7.471 5.971 ( 0.000 0.773 5.377) 5.432 6.025 ( 0.000 -1.630 3.644) 3.992 6.026 ( 0.000 -2.045 -1.807) 2.729 6.179 ( 0.000 -7.516 -7.504) 10.621 6.306 ( 0.000 10.864 0.071) 10.864 6.321 ( 0.000 1.387 -4.454) 4.665 6.529 ( 0.000 -5.031 -2.392) 5.571 6.562 ( 0.000 0.414 -8.898) 8.908 6.818 ( 0.000 3.709 -2.806) 4.651 6.879 ( 0.000 0.913 -3.780) 3.889 9.010 ( 0.000 4.496 2.337) 5.067 9.094 ( 0.000 5.881 6.507) 8.770 9.241 ( 0.000 5.927 1.760) 6.183 9.289 ( 0.000 -5.450 11.787) 12.986 9.387 ( 0.000 -3.650 13.961) 14.430 9.478 ( 0.000 -3.211 4.058) 5.175 9.962 ( 0.000 2.432 12.037) 12.280 9.993 ( 0.000 2.105 2.657) 3.390 10.169 ( 0.000 0.404 4.639) 4.656 10.220 ( 0.000 10.435 -6.010) 12.042 10.474 ( 0.000 6.420 -3.839) 7.480 10.674 ( 0.000 -9.651 -9.607) 13.618 10.695 ( 0.000 3.316 -2.402) 4.095 10.819 ( 0.000 -3.364 -5.561) 6.500 11.313 ( 0.000 -9.983 -1.932) 10.168 11.426 ( 0.000 -15.526 -11.267) 19.183 12.135 ( 0.000 1.905 -2.803) 3.389 12.152 ( 0.000 1.913 -5.987) 6.285 12.333 ( 0.000 3.277 -0.935) 3.408 12.405 ( 0.000 -1.036 2.672) 2.866 18.463 ( 0.000 0.681 0.359) 0.770 18.465 ( 0.000 0.128 0.409) 0.429 18.657 ( 0.000 -2.823 3.393) 4.414 18.720 ( 0.000 -5.159 2.093) 5.567 19.329 ( 0.000 10.562 -6.455) 12.379 19.347 ( 0.000 10.820 -8.684) 13.874 19.406 ( 0.000 8.735 -4.822) 9.977 19.629 ( 0.000 0.290 -12.371) 12.375 20.203 ( 0.000 4.385 4.525) 6.301 20.246 ( 0.000 -3.123 1.117) 3.317 20.313 ( 0.000 -0.641 1.393) 1.534 20.498 ( 0.000 -2.911 0.606) 2.973 20.886 ( 0.000 1.561 3.928) 4.227 20.909 ( 0.000 0.030 3.953) 3.953 20.982 ( 0.000 -2.553 9.231) 9.577 21.242 ( 0.000 -15.261 9.849) 18.164 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 3.757 9.265 3.458) 10.579 1.179 ( -0.456 9.196 6.688) 11.380 1.255 ( 6.676 9.602 9.969) 15.367 1.337 ( -3.597 1.693 -1.037) 4.109 1.484 ( -6.130 -2.003 -0.500) 6.468 1.666 ( -3.106 -0.158 -0.006) 3.110 1.777 ( -1.716 -2.806 -2.987) 4.443 1.968 ( -2.536 -2.294 -8.487) 9.150 2.028 ( -2.350 5.587 -1.496) 6.243 2.109 ( -0.215 3.441 -10.504) 11.056 2.213 ( -2.110 -1.949 -7.943) 8.447 2.288 ( -0.164 -3.983 3.374) 5.223 2.453 ( 4.173 3.276 3.248) 6.220 2.597 ( 3.979 1.450 2.764) 5.057 2.624 ( 6.478 13.007 12.333) 19.059 2.718 ( 0.524 2.163 0.082) 2.227 2.766 ( -0.862 1.655 3.479) 3.948 2.796 ( 3.408 6.615 4.665) 8.783 2.981 ( 1.573 -1.544 0.622) 2.290 3.060 ( -3.364 1.888 6.008) 7.140 3.155 ( 2.981 3.530 5.489) 7.175 3.522 ( -11.961 5.917 3.921) 13.908 3.608 ( 4.705 -9.228 0.130) 10.359 3.805 ( -0.163 -3.914 0.326) 3.931 4.187 ( -1.159 2.073 -7.627) 7.988 4.222 ( -3.229 2.778 -5.702) 7.117 4.303 ( -1.121 -1.777 -4.177) 4.676 4.378 ( -4.298 0.160 -7.615) 8.746 4.540 ( 1.012 3.240 -9.799) 10.371 4.658 ( -3.552 6.838 -7.617) 10.835 4.861 ( 7.849 -4.940 -14.102) 16.878 4.886 ( 5.669 1.670 -9.470) 11.163 5.096 ( -1.478 1.900 2.518) 3.484 5.120 ( -2.375 -5.051 2.034) 5.940 5.382 ( 1.520 -12.891 1.441) 13.060 5.473 ( -1.892 -11.435 3.659) 12.155 5.742 ( 0.158 7.043 -2.881) 7.611 5.789 ( 0.036 4.839 -5.603) 7.403 5.974 ( 0.470 0.067 4.519) 4.544 6.014 ( -0.859 -1.921 0.015) 2.104 6.080 ( 4.603 0.361 1.390) 4.822 6.227 ( 4.457 -7.552 -6.113) 10.690 6.248 ( -3.230 5.067 -2.129) 6.375 6.386 ( 2.130 3.677 -4.139) 5.932 6.488 ( -0.341 -2.224 -1.551) 2.733 6.615 ( 2.906 0.546 -8.443) 8.946 6.761 ( -4.810 3.137 -0.707) 5.786 6.840 ( -3.926 0.285 -4.273) 5.810 9.029 ( 1.712 4.602 2.660) 5.585 9.088 ( -0.616 5.565 5.468) 7.826 9.230 ( -0.643 1.533 5.565) 5.808 9.261 ( -2.128 -4.841 12.168) 13.267 9.457 ( 6.193 1.510 9.531) 11.466 9.539 ( 5.209 -1.377 5.294) 7.554 9.904 ( -5.673 1.802 10.415) 11.996 9.946 ( -4.600 0.074 4.221) 6.243 10.152 ( -0.198 3.763 1.712) 4.139 10.229 ( -0.966 5.921 -3.576) 6.984 10.409 ( -3.765 1.926 -2.866) 5.109 10.487 ( -6.831 -1.815 -5.147) 8.744 10.886 ( 6.980 -1.449 -4.668) 8.521 10.900 ( 6.125 -0.681 -8.169) 10.233 11.327 ( 1.453 -11.228 -3.645) 11.894 11.411 ( -1.552 -15.016 -10.394) 18.328 12.165 ( 2.813 2.145 -2.601) 4.391 12.181 ( 2.862 1.757 -3.437) 4.805 12.307 ( -2.486 3.081 -1.838) 4.365 12.362 ( -3.999 -0.372 2.278) 4.617 18.486 ( 2.060 0.653 0.373) 2.193 18.500 ( 2.699 0.506 -0.046) 2.747 18.654 ( -0.011 -3.759 3.214) 4.946 18.708 ( -1.271 -5.400 2.074) 5.923 19.329 ( 0.067 10.552 -6.453) 12.369 19.347 ( -0.303 11.041 -7.573) 13.392 19.425 ( 2.426 7.509 -6.493) 10.220 19.593 ( -3.580 1.723 -11.387) 12.061 20.185 ( -0.568 2.356 3.116) 3.948 20.241 ( -1.660 2.006 1.273) 2.898 20.338 ( 2.912 -3.965 1.906) 5.276 20.473 ( -2.426 -3.389 0.847) 4.253 20.893 ( 0.616 1.483 3.895) 4.213 20.911 ( -0.002 0.863 3.928) 4.022 21.015 ( 3.176 -4.375 9.577) 10.997 21.196 ( -4.239 -12.838 10.147) 16.904 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.656 6.873 2.613) 8.211 1.220 ( 3.656 6.873 2.613) 8.211 1.297 ( -5.208 3.952 2.760) 7.097 1.297 ( 5.208 3.952 2.760) 7.097 1.488 ( -9.551 4.488 8.145) 13.330 1.488 ( 9.551 4.488 8.145) 13.330 1.857 ( -6.307 -5.002 -4.906) 9.427 1.857 ( 6.307 -5.002 -4.906) 9.427 2.065 ( -3.601 3.684 -8.571) 10.000 2.065 ( 3.601 3.684 -8.571) 10.000 2.233 ( -3.317 -2.772 -5.508) 7.002 2.233 ( 3.317 -2.772 -5.508) 7.002 2.573 ( -5.802 5.237 3.142) 8.424 2.573 ( 5.802 5.237 3.142) 8.424 2.718 ( -2.171 2.896 2.343) 4.312 2.718 ( 2.171 2.896 2.343) 4.312 2.802 ( -3.685 4.461 6.330) 8.577 2.802 ( 3.685 4.461 6.330) 8.577 3.013 ( -1.775 -0.118 4.515) 4.853 3.013 ( 1.775 -0.118 4.515) 4.853 3.278 ( -10.240 8.432 4.971) 14.165 3.278 ( 10.240 8.432 4.971) 14.165 3.736 ( -6.279 -7.683 -2.360) 10.199 3.736 ( 6.279 -7.683 -2.360) 10.199 4.180 ( -0.860 1.276 -4.291) 4.559 4.180 ( 0.860 1.276 -4.291) 4.559 4.303 ( -1.779 -2.878 -3.022) 4.536 4.303 ( 1.779 -2.878 -3.022) 4.536 4.595 ( -3.012 7.876 -9.918) 13.018 4.595 ( 3.012 7.876 -9.918) 13.018 4.955 ( -0.434 -2.696 -14.995) 15.242 4.955 ( 0.434 -2.696 -14.995) 15.242 5.075 ( -0.719 -0.816 4.719) 4.842 5.075 ( 0.719 -0.816 4.719) 4.842 5.424 ( -2.637 -13.367 1.320) 13.689 5.424 ( 2.637 -13.367 1.320) 13.689 5.768 ( -1.812 7.389 -3.872) 8.537 5.768 ( 1.812 7.389 -3.872) 8.537 5.992 ( -1.223 -0.972 2.093) 2.612 5.992 ( 1.223 -0.972 2.093) 2.612 6.173 ( -4.330 2.865 -1.167) 5.321 6.173 ( 4.330 2.865 -1.167) 5.321 6.333 ( -5.359 -5.382 -4.774) 8.970 6.333 ( 5.359 -5.382 -4.774) 8.970 6.580 ( -6.630 4.570 -3.052) 8.611 6.580 ( 6.630 4.570 -3.052) 8.611 6.747 ( -4.318 -0.438 -3.482) 5.564 6.747 ( 4.318 -0.438 -3.482) 5.564 9.066 ( -1.705 5.112 3.778) 6.581 9.066 ( 1.705 5.112 3.778) 6.581 9.229 ( -0.762 -2.803 9.660) 10.088 9.229 ( 0.762 -2.803 9.660) 10.088 9.583 ( -3.944 5.194 7.867) 10.219 9.583 ( 3.944 5.194 7.867) 10.219 9.843 ( -3.081 -3.209 6.079) 7.533 9.843 ( 3.081 -3.209 6.079) 7.533 10.177 ( -2.679 3.998 -0.388) 4.828 10.177 ( 2.679 3.998 -0.388) 4.828 10.402 ( -2.360 0.113 -3.825) 4.496 10.402 ( 2.360 0.113 -3.825) 4.496 10.963 ( -0.669 0.179 -6.571) 6.608 10.963 ( 0.669 0.179 -6.571) 6.608 11.368 ( -2.495 -13.595 -7.605) 15.776 11.368 ( 2.495 -13.595 -7.605) 15.776 12.228 ( -2.195 2.725 -0.624) 3.554 12.228 ( 2.195 2.725 -0.624) 3.554 12.274 ( -3.274 0.846 -1.456) 3.682 12.274 ( 3.274 0.846 -1.456) 3.682 18.523 ( -0.907 1.223 0.082) 1.525 18.523 ( 0.907 1.223 0.082) 1.525 18.673 ( -1.924 -5.604 2.444) 6.409 18.673 ( 1.924 -5.604 2.444) 6.409 19.335 ( -0.634 10.780 -6.549) 12.629 19.335 ( 0.634 10.780 -6.549) 12.629 19.502 ( -4.910 4.840 -9.187) 11.486 19.502 ( 4.910 4.840 -9.187) 11.486 20.199 ( -1.870 2.381 1.816) 3.530 20.199 ( 1.870 2.381 1.816) 3.530 20.409 ( -3.777 -4.233 1.490) 5.866 20.409 ( 3.777 -4.233 1.490) 5.866 20.905 ( -0.551 1.404 3.890) 4.172 20.905 ( 0.551 1.404 3.890) 4.172 21.099 ( -5.043 -8.190 10.150) 13.983 21.099 ( 5.043 -8.190 10.150) 13.983 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 -4.771 0.945) 4.864 1.317 ( 0.000 4.771 0.945) 4.864 1.422 ( 0.000 -0.714 -0.105) 0.722 1.422 ( 0.000 0.714 -0.105) 0.722 1.441 ( 0.000 -3.939 5.468) 6.739 1.441 ( 0.000 3.939 5.468) 6.739 1.932 ( 0.000 -3.685 -6.280) 7.281 1.932 ( 0.000 3.685 -6.280) 7.281 2.133 ( 0.000 -2.668 -7.923) 8.360 2.133 ( 0.000 2.668 -7.923) 8.360 2.245 ( 0.000 -0.241 0.917) 0.948 2.245 ( 0.000 0.241 0.917) 0.948 2.447 ( 0.000 -3.143 6.109) 6.870 2.447 ( 0.000 3.143 6.109) 6.870 2.731 ( 0.000 -1.512 0.103) 1.515 2.731 ( 0.000 1.512 0.103) 1.515 2.868 ( 0.000 -6.041 0.587) 6.070 2.868 ( 0.000 6.041 0.587) 6.070 3.035 ( 0.000 -10.346 12.369) 16.126 3.035 ( 0.000 10.346 12.369) 16.126 3.261 ( 0.000 -10.754 4.054) 11.492 3.261 ( 0.000 10.754 4.054) 11.492 3.747 ( 0.000 -0.078 4.225) 4.226 3.747 ( 0.000 0.078 4.225) 4.226 4.281 ( 0.000 -2.843 -7.824) 8.324 4.281 ( 0.000 2.843 -7.824) 8.324 4.438 ( 0.000 -3.121 -10.523) 10.976 4.438 ( 0.000 3.121 -10.523) 10.976 4.564 ( 0.000 -0.068 -12.169) 12.169 4.564 ( 0.000 0.068 -12.169) 12.169 4.836 ( 0.000 -2.753 -10.543) 10.896 4.836 ( 0.000 2.753 -10.543) 10.896 5.122 ( 0.000 -6.208 4.815) 7.856 5.122 ( 0.000 6.208 4.815) 7.856 5.242 ( 0.000 -9.088 3.575) 9.765 5.242 ( 0.000 9.088 3.575) 9.765 5.884 ( 0.000 -2.442 3.406) 4.191 5.884 ( 0.000 2.442 3.406) 4.191 5.937 ( 0.000 -5.061 -0.443) 5.080 5.937 ( 0.000 5.061 -0.443) 5.080 6.048 ( 0.000 -2.856 -5.536) 6.229 6.048 ( 0.000 2.856 -5.536) 6.229 6.397 ( 0.000 -5.042 -3.857) 6.348 6.397 ( 0.000 5.042 -3.857) 6.348 6.508 ( 0.000 -5.609 -2.918) 6.323 6.508 ( 0.000 5.609 -2.918) 6.323 6.876 ( 0.000 -1.465 -5.064) 5.272 6.876 ( 0.000 1.465 -5.064) 5.272 9.107 ( 0.000 -4.240 9.535) 10.436 9.107 ( 0.000 4.240 9.535) 10.436 9.283 ( 0.000 -5.126 11.550) 12.636 9.283 ( 0.000 5.126 11.550) 12.636 9.380 ( 0.000 -5.874 1.636) 6.098 9.380 ( 0.000 5.874 1.636) 6.098 10.009 ( 0.000 -1.762 8.347) 8.531 10.009 ( 0.000 1.762 8.347) 8.531 10.254 ( 0.000 -6.748 -1.350) 6.882 10.254 ( 0.000 6.748 -1.350) 6.882 10.561 ( 0.000 -2.091 -9.436) 9.664 10.561 ( 0.000 2.091 -9.436) 9.664 10.789 ( 0.000 -1.918 -5.053) 5.405 10.789 ( 0.000 1.918 -5.053) 5.405 11.188 ( 0.000 -2.547 -6.886) 7.342 11.188 ( 0.000 2.547 -6.886) 7.342 12.165 ( 0.000 -0.611 -4.229) 4.273 12.165 ( 0.000 0.611 -4.229) 4.273 12.380 ( 0.000 -1.429 1.654) 2.186 12.380 ( 0.000 1.429 1.654) 2.186 18.471 ( 0.000 -0.171 1.186) 1.198 18.471 ( 0.000 0.171 1.186) 1.198 18.641 ( 0.000 -1.710 2.600) 3.112 18.641 ( 0.000 1.710 2.600) 3.112 19.456 ( 0.000 -0.840 -8.950) 8.989 19.456 ( 0.000 0.840 -8.950) 8.989 19.578 ( 0.000 -5.692 -8.867) 10.537 19.578 ( 0.000 5.692 -8.867) 10.537 20.211 ( 0.000 -0.482 3.890) 3.920 20.211 ( 0.000 0.482 3.890) 3.920 20.402 ( 0.000 -5.971 1.439) 6.142 20.402 ( 0.000 5.971 1.439) 6.142 20.916 ( 0.000 -0.266 6.080) 6.086 20.916 ( 0.000 0.266 6.080) 6.086 21.000 ( 0.000 -6.584 7.673) 10.111 21.000 ( 0.000 6.584 7.673) 10.111 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -1.219 -2.486 1.840) 3.324 1.287 ( -1.219 2.486 1.840) 3.324 1.395 ( -3.336 -4.820 2.736) 6.469 1.395 ( -3.336 4.820 2.736) 6.469 1.507 ( 6.444 -11.394 2.820) 13.390 1.507 ( 6.444 11.394 2.820) 13.390 1.851 ( -7.878 -7.023 -2.903) 10.946 1.851 ( -7.878 7.023 -2.903) 10.946 2.133 ( 0.300 -2.600 -6.032) 6.575 2.133 ( 0.300 2.600 -6.032) 6.575 2.202 ( -2.047 -3.328 -3.145) 5.016 2.202 ( -2.047 3.328 -3.145) 5.016 2.548 ( 7.173 -4.581 3.875) 9.352 2.548 ( 7.173 4.581 3.875) 9.352 2.730 ( -0.674 -1.305 -0.529) 1.561 2.730 ( -0.674 1.305 -0.529) 1.561 2.886 ( 1.959 -6.145 1.948) 6.737 2.886 ( 1.959 6.145 1.948) 6.737 3.012 ( -2.474 -7.113 8.716) 11.519 3.012 ( -2.474 7.113 8.716) 11.519 3.333 ( 7.222 -12.529 4.921) 15.276 3.333 ( 7.222 12.529 4.921) 15.276 3.689 ( -6.037 -6.778 3.481) 9.721 3.689 ( -6.037 6.778 3.481) 9.721 4.250 ( -2.484 -3.080 -5.898) 7.102 4.250 ( -2.484 3.080 -5.898) 7.102 4.304 ( -6.537 -4.494 -5.119) 9.441 4.304 ( -6.537 4.494 -5.119) 9.441 4.703 ( 7.470 -8.829 -14.733) 18.730 4.703 ( 7.470 8.829 -14.733) 18.730 4.841 ( -0.100 -7.539 -12.812) 14.866 4.841 ( -0.100 7.539 -12.812) 14.866 5.127 ( 0.870 -7.094 4.943) 8.690 5.127 ( 0.870 7.094 4.943) 8.690 5.217 ( -2.295 -8.503 3.380) 9.434 5.217 ( -2.295 8.503 3.380) 9.434 5.899 ( 1.146 -1.994 2.197) 3.181 5.899 ( 1.146 1.994 2.197) 3.181 5.935 ( -0.369 -3.129 0.285) 3.164 5.935 ( -0.369 3.129 0.285) 3.164 6.103 ( 5.421 -2.685 -4.972) 7.831 6.103 ( 5.421 2.685 -4.972) 7.831 6.341 ( -4.601 -4.741 -3.979) 7.712 6.341 ( -4.601 4.741 -3.979) 7.712 6.570 ( 5.156 -5.133 -3.038) 7.885 6.570 ( 5.156 5.133 -3.038) 7.885 6.821 ( -5.234 -2.138 -4.599) 7.288 6.821 ( -5.234 2.138 -4.599) 7.288 9.118 ( 1.205 -3.475 9.241) 9.946 9.118 ( 1.205 3.475 9.241) 9.946 9.219 ( -3.776 -1.836 9.725) 10.593 9.219 ( -3.776 1.836 9.725) 10.593 9.506 ( 9.796 -2.213 4.049) 10.828 9.506 ( 9.796 2.213 4.049) 10.828 9.933 ( -7.714 -1.492 7.662) 10.974 9.933 ( -7.714 1.492 7.662) 10.974 10.267 ( 1.320 -6.755 -1.893) 7.138 10.267 ( 1.320 6.755 -1.893) 7.138 10.422 ( -8.018 -4.380 -6.729) 11.347 10.422 ( -8.018 4.380 -6.729) 11.347 10.940 ( 9.554 -0.880 -6.884) 11.809 10.940 ( 9.554 0.880 -6.884) 11.809 11.169 ( -2.143 -2.415 -7.080) 7.782 11.169 ( -2.143 2.415 -7.080) 7.782 12.195 ( 2.925 -0.520 -3.064) 4.268 12.195 ( 2.925 0.520 -3.064) 4.268 12.348 ( -3.099 -1.044 1.087) 3.446 12.348 ( -3.099 1.044 1.087) 3.446 18.506 ( 3.117 -0.658 1.212) 3.409 18.506 ( 3.117 0.658 1.212) 3.409 18.625 ( -1.687 -1.663 2.255) 3.271 18.625 ( -1.687 1.663 2.255) 3.271 19.468 ( 1.317 -1.819 -8.847) 9.127 19.468 ( 1.317 1.819 -8.847) 9.127 19.557 ( -2.022 -5.253 -8.804) 10.450 19.557 ( -2.022 5.253 -8.804) 10.450 20.232 ( 2.146 -3.570 3.612) 5.514 20.232 ( 2.146 3.570 3.612) 5.514 20.368 ( -3.203 -6.109 1.929) 7.163 20.368 ( -3.203 6.109 1.929) 7.163 20.931 ( 1.372 -1.647 6.240) 6.598 20.931 ( 1.372 1.647 6.240) 6.598 20.990 ( -0.994 -5.612 7.346) 9.298 20.990 ( -0.994 5.612 7.346) 9.298 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -3.760 -1.919 2.998) 5.178 1.313 ( 3.724 -1.901 2.998) 5.145 1.313 ( -3.724 1.901 2.998) 5.145 1.313 ( 3.760 1.919 2.998) 5.178 1.669 ( -9.177 -10.687 1.492) 14.165 1.669 ( 7.936 -10.435 1.492) 13.195 1.669 ( -7.936 10.435 1.492) 13.195 1.669 ( 9.177 10.687 1.492) 14.165 2.160 ( -2.066 -4.561 -6.407) 8.132 2.160 ( 1.852 -4.538 -6.407) 8.067 2.160 ( -1.852 4.538 -6.407) 8.067 2.160 ( 2.066 4.561 -6.407) 8.132 2.675 ( -4.598 -4.167 1.493) 6.382 2.675 ( 1.646 -3.571 1.493) 4.206 2.675 ( -1.646 3.571 1.493) 4.206 2.675 ( 4.598 4.167 1.493) 6.382 2.946 ( -3.570 -5.601 4.212) 7.865 2.946 ( 3.177 -5.541 4.212) 7.651 2.946 ( -3.177 5.541 4.212) 7.651 2.946 ( 3.570 5.601 4.212) 7.865 3.518 ( -10.211 -12.025 3.659) 16.194 3.518 ( 9.816 -11.943 3.659) 15.887 3.518 ( -9.816 11.943 3.659) 15.887 3.518 ( 10.211 12.025 3.659) 16.194 4.229 ( -1.109 -3.152 -2.753) 4.329 4.229 ( 0.980 -3.141 -2.753) 4.290 4.229 ( -0.980 3.141 -2.753) 4.290 4.229 ( 1.109 3.152 -2.753) 4.329 4.810 ( -3.330 -9.909 -15.039) 18.315 4.810 ( 3.306 -9.907 -15.039) 18.310 4.810 ( -3.306 9.907 -15.039) 18.310 4.810 ( 3.330 9.909 -15.039) 18.315 5.164 ( -2.451 -8.823 3.988) 9.988 5.164 ( 2.276 -8.811 3.988) 9.936 5.164 ( -2.276 8.811 3.988) 9.936 5.164 ( 2.451 8.823 3.988) 9.988 5.921 ( -0.431 -5.851 0.917) 5.938 5.921 ( 0.281 -5.849 0.917) 5.927 5.921 ( -0.281 5.849 0.917) 5.927 5.921 ( 0.431 5.851 0.917) 5.938 6.230 ( -6.459 -3.496 -4.210) 8.465 6.230 ( 1.238 -1.475 -4.210) 4.629 6.230 ( -1.238 1.475 -4.210) 4.629 6.230 ( 6.459 3.496 -4.210) 8.465 6.693 ( -6.456 -4.441 -3.640) 8.640 6.693 ( 0.225 -3.052 -3.640) 4.755 6.693 ( -0.225 3.052 -3.640) 4.755 6.693 ( 6.456 4.441 -3.640) 8.640 9.156 ( -1.969 -3.650 9.326) 10.206 9.156 ( 0.733 -3.534 9.326) 10.000 9.156 ( -0.733 3.534 9.326) 10.000 9.156 ( 1.969 3.650 9.326) 10.206 9.728 ( -8.828 -5.939 5.600) 12.024 9.728 ( -6.221 -5.046 5.600) 9.774 9.728 ( 6.221 5.046 5.600) 9.774 9.728 ( 8.828 5.939 5.600) 12.024 10.311 ( -3.263 -7.157 -3.656) 8.674 10.311 ( 2.898 -7.118 -3.656) 8.511 10.311 ( -2.898 7.118 -3.656) 8.511 10.311 ( 3.263 7.157 -3.656) 8.674 11.093 ( -2.337 -10.697 -7.360) 13.193 11.093 ( -0.467 -10.636 -7.360) 12.942 11.093 ( 0.467 10.636 -7.360) 12.942 11.093 ( 2.337 10.697 -7.360) 13.193 12.270 ( -3.997 -0.840 -0.684) 4.141 12.270 ( -3.643 -0.175 -0.684) 3.711 12.270 ( 3.643 0.175 -0.684) 3.711 12.270 ( 3.997 0.840 -0.684) 4.141 18.574 ( -2.281 -3.322 1.575) 4.327 18.574 ( -0.314 -3.124 1.575) 3.513 18.574 ( 0.314 3.124 1.575) 3.513 18.574 ( 2.281 3.322 1.575) 4.327 19.508 ( -2.304 -4.400 -8.736) 10.049 19.508 ( 1.826 -4.343 -8.736) 9.926 19.508 ( -1.826 4.343 -8.736) 9.926 19.508 ( 2.304 4.400 -8.736) 10.049 20.293 ( -3.766 -5.867 2.865) 7.538 20.293 ( 3.530 -5.830 2.865) 7.394 20.293 ( -3.530 5.830 2.865) 7.394 20.293 ( 3.766 5.867 2.865) 7.538 20.963 ( -1.451 -4.304 6.715) 8.107 20.963 ( 1.245 -4.288 6.715) 8.064 20.963 ( -1.245 4.288 6.715) 8.064 20.963 ( 1.451 4.304 6.715) 8.107 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 0.000 2.240) 2.240 1.101 ( 0.000 0.000 4.038) 4.038 1.220 ( 0.000 0.000 -8.198) 8.198 1.262 ( 0.000 0.000 -2.860) 2.860 1.437 ( 0.000 0.000 -16.941) 16.941 1.482 ( 0.000 0.000 2.124) 2.124 1.679 ( 0.000 0.000 -4.529) 4.529 1.740 ( 0.000 0.000 -4.535) 4.535 1.979 ( 0.000 0.000 -18.777) 18.777 1.996 ( 0.000 0.000 6.088) 6.088 1.996 ( 0.000 0.000 13.182) 13.182 2.277 ( 0.000 0.000 -0.070) 0.070 2.413 ( 0.000 0.000 22.262) 22.262 2.558 ( 0.000 0.000 -9.324) 9.324 2.608 ( 0.000 0.000 -0.927) 0.927 2.647 ( 0.000 0.000 -6.525) 6.525 2.713 ( 0.000 0.000 5.242) 5.242 2.886 ( 0.000 0.000 6.347) 6.347 2.918 ( 0.000 0.000 10.029) 10.029 3.132 ( 0.000 0.000 8.027) 8.027 3.211 ( 0.000 0.000 4.628) 4.628 3.506 ( 0.000 0.000 -8.605) 8.605 3.581 ( 0.000 0.000 -9.157) 9.157 3.868 ( 0.000 0.000 2.170) 2.170 4.087 ( 0.000 0.000 -1.357) 1.357 4.162 ( 0.000 0.000 -1.715) 1.715 4.172 ( 0.000 0.000 1.461) 1.461 4.182 ( 0.000 0.000 -7.751) 7.751 4.470 ( 0.000 0.000 -1.911) 1.911 4.564 ( 0.000 0.000 -5.959) 5.959 4.576 ( 0.000 0.000 -14.021) 14.021 4.647 ( 0.000 0.000 -4.308) 4.308 5.255 ( 0.000 0.000 0.649) 0.649 5.294 ( 0.000 0.000 -1.048) 1.048 5.312 ( 0.000 0.000 -1.978) 1.978 5.411 ( 0.000 0.000 -4.067) 4.067 5.680 ( 0.000 0.000 -3.163) 3.163 5.829 ( 0.000 0.000 -2.404) 2.404 5.845 ( 0.000 0.000 -6.819) 6.819 6.036 ( 0.000 0.000 -11.472) 11.472 6.068 ( 0.000 0.000 4.721) 4.721 6.194 ( 0.000 0.000 -3.046) 3.046 6.203 ( 0.000 0.000 -7.339) 7.339 6.232 ( 0.000 0.000 -2.489) 2.489 6.416 ( 0.000 0.000 2.582) 2.582 6.544 ( 0.000 0.000 -2.363) 2.363 6.740 ( 0.000 0.000 5.451) 5.451 6.943 ( 0.000 0.000 3.351) 3.351 8.722 ( 0.000 0.000 -4.637) 4.637 8.754 ( 0.000 0.000 -5.461) 5.461 9.132 ( 0.000 0.000 3.470) 3.470 9.433 ( 0.000 0.000 -4.038) 4.038 9.769 ( 0.000 0.000 14.394) 14.394 9.840 ( 0.000 0.000 14.103) 14.103 10.016 ( 0.000 0.000 10.782) 10.782 10.232 ( 0.000 0.000 2.991) 2.991 10.250 ( 0.000 0.000 7.061) 7.061 10.348 ( 0.000 0.000 16.411) 16.411 10.350 ( 0.000 0.000 15.233) 15.233 10.652 ( 0.000 0.000 -1.670) 1.670 10.690 ( 0.000 0.000 -8.710) 8.710 10.938 ( 0.000 0.000 -6.110) 6.110 11.676 ( 0.000 0.000 -19.685) 19.685 11.680 ( 0.000 0.000 0.535) 0.535 11.711 ( 0.000 0.000 -20.611) 20.611 11.831 ( 0.000 0.000 -7.438) 7.438 12.222 ( 0.000 0.000 6.025) 6.025 12.416 ( 0.000 0.000 -1.243) 1.243 18.425 ( 0.000 0.000 -1.046) 1.046 18.455 ( 0.000 0.000 -1.347) 1.347 18.854 ( 0.000 0.000 1.647) 1.647 18.908 ( 0.000 0.000 4.908) 4.908 18.948 ( 0.000 0.000 -1.116) 1.116 18.951 ( 0.000 0.000 1.071) 1.071 19.063 ( 0.000 0.000 -2.699) 2.699 19.301 ( 0.000 0.000 -10.389) 10.389 20.099 ( 0.000 0.000 1.883) 1.883 20.272 ( 0.000 0.000 -3.259) 3.259 20.417 ( 0.000 0.000 3.153) 3.153 20.552 ( 0.000 0.000 -0.832) 0.832 20.897 ( 0.000 0.000 1.188) 1.188 20.939 ( 0.000 0.000 0.232) 0.232 21.326 ( 0.000 0.000 11.630) 11.630 21.768 ( 0.000 0.000 -3.251) 3.251 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 9.253 0.000 -0.639) 9.275 1.114 ( 1.690 0.000 4.377) 4.692 1.161 ( -5.869 0.000 -8.789) 10.569 1.228 ( -2.962 0.000 -8.056) 8.584 1.459 ( 2.156 0.000 -13.845) 14.012 1.504 ( 1.444 0.000 -3.472) 3.761 1.629 ( -3.253 0.000 -6.565) 7.327 1.731 ( -0.078 0.000 -0.232) 0.244 1.827 ( -11.350 0.000 5.706) 12.704 1.908 ( -6.922 0.000 8.159) 10.699 2.116 ( 10.791 0.000 -3.782) 11.435 2.362 ( 6.587 0.000 -3.196) 7.321 2.512 ( -0.234 0.000 -0.325) 0.400 2.551 ( -1.363 0.000 -10.263) 10.354 2.598 ( 9.681 0.000 16.933) 19.505 2.721 ( 1.271 0.000 6.849) 6.966 2.798 ( 6.284 0.000 -2.770) 6.868 2.833 ( -4.503 0.000 8.860) 9.939 2.851 ( -3.299 0.000 6.720) 7.486 3.081 ( -3.790 0.000 5.507) 6.685 3.242 ( 0.172 0.000 4.327) 4.331 3.436 ( -5.979 0.000 -2.297) 6.405 3.601 ( 1.749 0.000 -10.573) 10.717 3.758 ( -7.604 0.000 -3.649) 8.435 4.100 ( 1.222 0.000 -1.369) 1.835 4.154 ( -0.892 0.000 -1.620) 1.850 4.178 ( 1.176 0.000 -2.082) 2.391 4.202 ( 0.661 0.000 -1.470) 1.612 4.486 ( 1.518 0.000 -2.492) 2.918 4.552 ( -1.129 0.000 -5.347) 5.465 4.640 ( 4.505 0.000 -14.312) 15.004 4.675 ( 2.260 0.000 -6.759) 7.126 5.247 ( -0.218 0.000 2.060) 2.072 5.289 ( -0.818 0.000 -0.375) 0.900 5.326 ( 1.375 0.000 -2.303) 2.683 5.396 ( -1.380 0.000 -3.763) 4.008 5.684 ( 1.019 0.000 -5.047) 5.149 5.822 ( -0.480 0.000 -2.815) 2.856 5.834 ( -0.888 0.000 -6.527) 6.587 5.898 ( -9.263 0.000 -9.828) 13.505 6.097 ( 2.600 0.000 4.342) 5.061 6.191 ( -0.722 0.000 -1.374) 1.552 6.259 ( 3.133 0.000 -4.867) 5.788 6.295 ( 3.774 0.000 -6.253) 7.304 6.426 ( 1.241 0.000 1.230) 1.747 6.521 ( -2.178 0.000 -2.169) 3.074 6.758 ( 2.644 0.000 7.218) 7.687 6.928 ( -2.209 0.000 3.649) 4.265 8.726 ( 0.426 0.000 -4.784) 4.803 8.749 ( -0.504 0.000 -5.367) 5.390 9.189 ( 5.504 0.000 2.949) 6.244 9.419 ( -2.275 0.000 -2.681) 3.517 9.781 ( 1.082 0.000 14.319) 14.360 9.831 ( -0.916 0.000 14.114) 14.144 10.030 ( 2.618 0.000 8.960) 9.335 10.233 ( 0.127 0.000 2.954) 2.957 10.240 ( -0.922 0.000 7.503) 7.559 10.348 ( 0.056 0.000 16.225) 16.225 10.350 ( -0.014 0.000 15.445) 15.445 10.420 ( -13.427 0.000 -2.572) 13.671 10.835 ( 6.141 0.000 -8.103) 10.167 10.956 ( 0.537 0.000 -7.339) 7.359 11.681 ( 0.491 0.000 -19.813) 19.819 11.706 ( -0.501 0.000 -20.468) 20.474 11.714 ( 4.021 0.000 0.586) 4.063 11.865 ( 1.294 0.000 -5.004) 5.168 12.216 ( 0.474 0.000 4.967) 4.990 12.374 ( -4.059 0.000 -0.415) 4.081 18.453 ( 2.144 0.000 -1.518) 2.627 18.477 ( 1.684 0.000 -2.091) 2.685 18.861 ( 0.750 0.000 1.531) 1.705 18.913 ( -1.734 0.000 0.648) 1.851 18.949 ( 4.481 0.000 3.305) 5.568 18.989 ( 1.985 0.000 -0.840) 2.156 19.053 ( -1.006 0.000 -2.436) 2.636 19.239 ( -6.031 0.000 -7.952) 9.981 20.108 ( 1.150 0.000 0.738) 1.367 20.228 ( -3.718 0.000 -2.336) 4.391 20.443 ( 2.203 0.000 1.800) 2.845 20.534 ( -1.686 0.000 -0.553) 1.774 20.902 ( 0.520 0.000 1.135) 1.249 20.931 ( -0.721 0.000 0.572) 0.920 21.391 ( 6.078 0.000 10.020) 11.719 21.697 ( -6.577 0.000 -0.056) 6.577 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -10.043 0.000 -5.765) 11.580 0.999 ( 10.043 0.000 -5.765) 11.580 1.166 ( -3.128 0.000 -4.154) 5.200 1.166 ( 3.128 0.000 -4.154) 5.200 1.504 ( -1.712 0.000 -11.927) 12.049 1.504 ( 1.712 0.000 -11.927) 12.049 1.640 ( -5.646 0.000 -0.436) 5.662 1.640 ( 5.646 0.000 -0.436) 5.662 1.779 ( -5.163 0.000 8.303) 9.778 1.779 ( 5.163 0.000 8.303) 9.778 2.363 ( -12.370 0.000 0.534) 12.381 2.363 ( 12.370 0.000 0.534) 12.381 2.485 ( -5.209 0.000 -7.985) 9.534 2.485 ( 5.209 0.000 -7.985) 9.534 2.774 ( -3.848 0.000 7.312) 8.263 2.774 ( 3.848 0.000 7.312) 8.263 2.796 ( -4.110 0.000 6.822) 7.965 2.796 ( 4.110 0.000 6.822) 7.965 2.915 ( -12.374 0.000 7.350) 14.393 2.915 ( 12.374 0.000 7.350) 14.393 3.302 ( -7.210 0.000 0.758) 7.249 3.302 ( 7.210 0.000 0.758) 7.249 3.650 ( -3.504 0.000 -9.215) 9.859 3.650 ( 3.504 0.000 -9.215) 9.859 4.129 ( -1.507 0.000 -1.454) 2.094 4.129 ( 1.507 0.000 -1.454) 2.094 4.201 ( -0.768 0.000 -0.992) 1.254 4.201 ( 0.768 0.000 -0.992) 1.254 4.522 ( -1.871 0.000 -3.904) 4.329 4.522 ( 1.871 0.000 -3.904) 4.329 4.697 ( -0.828 0.000 -11.736) 11.765 4.697 ( 0.828 0.000 -11.736) 11.765 5.261 ( -1.529 0.000 1.801) 2.362 5.261 ( 1.529 0.000 1.801) 2.362 5.361 ( -1.983 0.000 -3.047) 3.636 5.361 ( 1.983 0.000 -3.047) 3.636 5.745 ( -5.516 0.000 -7.993) 9.711 5.745 ( 5.516 0.000 -7.993) 9.711 5.820 ( -0.346 0.000 -4.682) 4.695 5.820 ( 0.346 0.000 -4.682) 4.695 6.155 ( -2.781 0.000 2.200) 3.546 6.155 ( 2.781 0.000 2.200) 3.546 6.313 ( -1.608 0.000 -5.443) 5.675 6.313 ( 1.608 0.000 -5.443) 5.675 6.469 ( -2.812 0.000 -1.165) 3.044 6.469 ( 2.812 0.000 -1.165) 3.044 6.847 ( -5.424 0.000 6.170) 8.215 6.847 ( 5.424 0.000 6.170) 8.215 8.737 ( -0.652 0.000 -5.102) 5.143 8.737 ( 0.652 0.000 -5.102) 5.143 9.323 ( -6.955 0.000 0.837) 7.006 9.323 ( 6.955 0.000 0.837) 7.006 9.807 ( -1.408 0.000 14.185) 14.255 9.807 ( 1.408 0.000 14.185) 14.255 10.154 ( -9.276 0.000 6.987) 11.613 10.154 ( 9.276 0.000 6.987) 11.613 10.245 ( -1.674 0.000 0.663) 1.800 10.245 ( 1.674 0.000 0.663) 1.800 10.350 ( -0.062 0.000 15.848) 15.848 10.350 ( 0.062 0.000 15.848) 15.848 10.929 ( -3.312 0.000 -8.619) 9.234 10.929 ( 3.312 0.000 -8.619) 9.234 11.693 ( -0.702 0.000 -20.133) 20.146 11.693 ( 0.702 0.000 -20.133) 20.146 11.820 ( -5.344 0.000 -0.503) 5.368 11.820 ( 5.344 0.000 -0.503) 5.368 12.276 ( -5.056 0.000 1.576) 5.296 12.276 ( 5.056 0.000 1.576) 5.296 18.488 ( -0.906 0.000 -2.088) 2.276 18.488 ( 0.906 0.000 -2.088) 2.276 18.882 ( -1.345 0.000 1.195) 1.799 18.882 ( 1.345 0.000 1.195) 1.799 19.026 ( -1.704 0.000 -1.744) 2.438 19.026 ( 1.704 0.000 -1.744) 2.438 19.085 ( -8.558 0.000 -2.193) 8.835 19.085 ( 8.558 0.000 -2.193) 8.835 20.152 ( -3.371 0.000 -1.141) 3.559 20.152 ( 3.371 0.000 -1.141) 3.559 20.491 ( -2.463 0.000 0.315) 2.484 20.491 ( 2.463 0.000 0.315) 2.484 20.915 ( -0.757 0.000 0.944) 1.210 20.915 ( 0.757 0.000 0.944) 1.210 21.541 ( -8.470 0.000 5.784) 10.256 21.541 ( 8.470 0.000 5.784) 10.256 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 13.460 -0.282) 13.463 1.158 ( 0.000 5.555 3.938) 6.809 1.240 ( 0.000 2.243 -2.266) 3.188 1.329 ( 0.000 4.542 -2.629) 5.248 1.454 ( 0.000 -1.333 -0.160) 1.343 1.517 ( 0.000 6.596 -13.187) 14.744 1.688 ( 0.000 0.610 -3.362) 3.417 1.744 ( 0.000 1.448 -4.593) 4.815 1.984 ( 0.000 -0.182 11.982) 11.984 2.042 ( 0.000 5.131 -11.263) 12.377 2.063 ( 0.000 5.131 1.209) 5.271 2.360 ( 0.000 3.871 -2.572) 4.647 2.503 ( 0.000 1.135 -4.293) 4.441 2.590 ( 0.000 5.773 0.363) 5.784 2.619 ( 0.000 -3.112 6.868) 7.541 2.633 ( 0.000 10.174 18.724) 21.310 2.813 ( 0.000 -3.525 9.704) 10.324 2.821 ( 0.000 6.017 -6.949) 9.192 2.968 ( 0.000 1.348 9.360) 9.456 3.121 ( 0.000 -0.363 4.964) 4.977 3.220 ( 0.000 0.693 4.513) 4.566 3.541 ( 0.000 3.638 -9.473) 10.148 3.565 ( 0.000 -1.024 -8.325) 8.388 3.835 ( 0.000 -2.730 -0.243) 2.741 4.063 ( 0.000 -1.855 -1.952) 2.693 4.109 ( 0.000 -2.473 -2.388) 3.438 4.205 ( 0.000 0.272 -6.195) 6.201 4.215 ( 0.000 3.019 -1.478) 3.362 4.465 ( 0.000 -1.163 -5.553) 5.673 4.542 ( 0.000 -2.333 -7.095) 7.468 4.568 ( 0.000 0.451 -10.764) 10.773 4.634 ( 0.000 -1.016 -4.487) 4.601 5.199 ( 0.000 -3.273 1.841) 3.755 5.254 ( 0.000 -3.352 -0.780) 3.442 5.406 ( 0.000 7.881 -1.676) 8.058 5.481 ( 0.000 3.459 -3.599) 4.992 5.623 ( 0.000 -2.926 -2.742) 4.010 5.852 ( 0.000 -6.570 -5.967) 8.875 5.890 ( 0.000 3.348 -6.476) 7.291 5.943 ( 0.000 0.806 -3.952) 4.034 6.157 ( 0.000 7.107 4.999) 8.689 6.180 ( 0.000 -1.360 1.755) 2.221 6.184 ( 0.000 -1.968 -5.880) 6.201 6.248 ( 0.000 0.478 -6.029) 6.048 6.386 ( 0.000 -1.965 1.025) 2.216 6.517 ( 0.000 -2.187 -3.511) 4.137 6.754 ( 0.000 1.304 2.895) 3.175 6.899 ( 0.000 -3.827 1.323) 4.049 8.843 ( 0.000 7.652 -3.418) 8.381 8.855 ( 0.000 11.121 -4.326) 11.933 9.182 ( 0.000 4.579 3.971) 6.061 9.454 ( 0.000 2.042 -2.746) 3.422 9.730 ( 0.000 -3.679 14.385) 14.848 9.813 ( 0.000 -2.426 13.924) 14.134 10.073 ( 0.000 5.027 10.393) 11.545 10.153 ( 0.000 -6.857 8.671) 11.054 10.247 ( 0.000 1.048 3.344) 3.504 10.266 ( 0.000 -5.907 14.602) 15.752 10.427 ( 0.000 5.558 11.295) 12.588 10.629 ( 0.000 -1.853 -2.220) 2.892 10.662 ( 0.000 -2.972 -8.221) 8.742 10.841 ( 0.000 -8.415 -6.530) 10.651 11.431 ( 0.000 -10.445 -9.655) 14.223 11.479 ( 0.000 -14.717 -17.234) 22.663 11.903 ( 0.000 8.301 -7.696) 11.320 11.965 ( 0.000 5.822 -8.436) 10.250 12.252 ( 0.000 2.601 3.437) 4.311 12.415 ( 0.000 -0.212 -1.604) 1.618 18.437 ( 0.000 1.127 -0.558) 1.258 18.457 ( 0.000 0.279 -0.790) 0.838 18.821 ( 0.000 -5.310 3.405) 6.308 18.837 ( 0.000 -2.853 0.290) 2.867 19.037 ( 0.000 7.595 -1.768) 7.798 19.041 ( 0.000 8.764 0.893) 8.810 19.172 ( 0.000 7.175 -2.190) 7.502 19.342 ( 0.000 3.257 -10.384) 10.882 20.144 ( 0.000 4.154 1.743) 4.505 20.267 ( 0.000 -0.396 -2.291) 2.325 20.403 ( 0.000 -1.339 3.276) 3.540 20.538 ( 0.000 -1.252 -0.778) 1.474 20.908 ( 0.000 1.127 1.629) 1.980 20.946 ( 0.000 0.728 0.784) 1.070 21.275 ( 0.000 -4.461 10.744) 11.633 21.641 ( 0.000 -10.871 -0.739) 10.896 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 6.216 11.104 -0.671) 12.743 1.135 ( -1.936 3.017 0.882) 3.691 1.212 ( -2.146 2.304 -8.061) 8.654 1.292 ( -3.541 5.936 -4.303) 8.142 1.469 ( 2.126 -0.178 0.363) 2.164 1.547 ( 1.479 5.791 -9.941) 11.600 1.684 ( -0.420 3.991 -3.294) 5.192 1.728 ( -2.311 0.819 -3.820) 4.539 1.890 ( -5.090 5.466 6.455) 9.871 1.995 ( -6.334 5.608 4.989) 9.821 2.114 ( 6.770 -0.585 -2.961) 7.413 2.372 ( -0.171 -0.695 -5.814) 5.858 2.480 ( 0.213 2.897 0.693) 2.987 2.600 ( -0.042 3.281 -0.101) 3.282 2.675 ( 4.445 -0.817 4.457) 6.347 2.750 ( 1.184 1.166 11.212) 11.335 2.787 ( 5.769 6.329 13.954) 16.372 2.881 ( 3.918 4.974 -3.953) 7.464 2.920 ( -2.652 3.273 7.200) 8.342 3.076 ( -2.926 -0.330 3.497) 4.572 3.251 ( 1.259 0.190 4.541) 4.717 3.455 ( -8.456 2.991 -2.896) 9.426 3.587 ( 1.845 -1.020 -9.646) 9.874 3.735 ( -6.922 -1.568 -5.900) 9.230 4.077 ( 1.039 -1.922 -2.527) 3.340 4.109 ( -0.195 -2.121 -2.551) 3.323 4.204 ( 0.755 1.122 -3.753) 3.989 4.232 ( 0.421 1.751 -1.677) 2.461 4.474 ( 0.689 -2.287 -2.975) 3.815 4.517 ( -1.394 -1.484 -4.783) 5.198 4.630 ( 4.213 -1.387 -13.806) 14.501 4.666 ( 2.298 -0.527 -8.105) 8.441 5.192 ( -0.230 -3.200 2.658) 4.166 5.241 ( -1.382 -3.565 0.030) 3.824 5.425 ( 1.735 7.913 -2.177) 8.389 5.481 ( -0.210 4.905 -3.627) 6.104 5.623 ( 0.422 -3.961 -3.825) 5.523 5.774 ( -6.409 -8.734 -6.928) 12.859 5.890 ( -0.116 4.358 -5.399) 6.940 5.914 ( -1.554 5.652 -2.452) 6.354 6.149 ( 0.503 2.157 3.190) 3.883 6.190 ( 0.344 0.848 -1.398) 1.671 6.270 ( 4.189 -0.721 -4.101) 5.907 6.276 ( 3.336 -0.302 -3.158) 4.603 6.404 ( 1.774 -1.128 -0.445) 2.149 6.496 ( -1.978 -1.857 -3.222) 4.212 6.753 ( 0.606 -0.216 4.241) 4.289 6.876 ( -2.640 -4.427 1.940) 5.507 8.846 ( 0.393 8.758 -3.481) 9.432 8.860 ( 0.194 10.920 -4.053) 11.649 9.225 ( 4.228 3.296 3.222) 6.255 9.420 ( -3.358 0.518 -0.856) 3.504 9.770 ( 3.273 -2.314 13.942) 14.506 9.828 ( 1.405 -0.402 13.663) 13.740 10.042 ( -1.764 1.750 9.874) 10.182 10.153 ( -0.794 -6.368 10.071) 11.942 10.224 ( -0.763 -2.248 5.898) 6.358 10.290 ( 0.619 -2.097 10.043) 10.278 10.400 ( -2.168 3.825 9.904) 10.836 10.424 ( -10.199 -0.696 -1.539) 10.338 10.799 ( 5.686 -3.196 -8.121) 10.416 10.882 ( 2.250 -6.362 -7.249) 9.903 11.433 ( 0.569 -11.811 -11.250) 16.321 11.476 ( -0.500 -14.154 -15.877) 21.276 11.933 ( 3.204 8.742 -6.787) 11.522 12.016 ( 3.368 7.029 -7.859) 11.069 12.231 ( -1.145 1.526 3.449) 3.942 12.371 ( -4.183 -0.267 -0.923) 4.291 18.463 ( 1.924 0.946 -0.897) 2.324 18.477 ( 1.654 0.266 -1.243) 2.086 18.825 ( 0.442 -5.875 2.249) 6.307 18.838 ( 0.066 -3.478 0.573) 3.525 19.031 ( 0.356 8.365 -0.439) 8.384 19.058 ( 0.598 7.183 -0.808) 7.253 19.176 ( 0.763 7.702 -2.320) 8.080 19.304 ( -3.647 4.799 -8.451) 10.380 20.143 ( 0.243 3.298 1.018) 3.460 20.229 ( -3.182 0.185 -1.429) 3.493 20.430 ( 2.237 -1.339 1.926) 3.241 20.521 ( -1.651 -1.238 -0.501) 2.123 20.914 ( 0.573 1.178 1.565) 2.041 20.940 ( -0.547 0.951 1.038) 1.510 21.329 ( 5.116 -5.374 9.464) 12.026 21.584 ( -5.347 -9.758 1.620) 11.245 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -4.836 5.464 -2.859) 7.837 1.076 ( 4.836 5.464 -2.859) 7.837 1.212 ( -3.141 4.015 -7.170) 8.798 1.212 ( 3.141 4.015 -7.170) 8.798 1.526 ( -3.166 2.116 -4.115) 5.607 1.526 ( 3.166 2.116 -4.115) 5.607 1.686 ( -1.041 4.845 -3.271) 5.938 1.686 ( 1.041 4.845 -3.271) 5.938 1.875 ( -3.921 6.967 7.299) 10.826 1.875 ( 3.921 6.967 7.299) 10.826 2.283 ( -8.404 -5.667 -2.942) 10.555 2.283 ( 8.404 -5.667 -2.942) 10.555 2.535 ( -4.589 4.873 -0.411) 6.706 2.535 ( 4.589 4.873 -0.411) 6.706 2.755 ( -2.777 -0.137 7.657) 8.146 2.755 ( 2.777 -0.137 7.657) 8.146 2.858 ( -4.060 2.371 4.334) 6.395 2.858 ( 4.060 2.371 4.334) 6.395 3.018 ( -7.324 7.777 6.022) 12.263 3.018 ( 7.324 7.777 6.022) 12.263 3.286 ( -5.674 -0.333 1.631) 5.913 3.286 ( 5.674 -0.333 1.631) 5.913 3.635 ( -3.295 -0.985 -10.048) 10.620 3.635 ( 3.295 -0.985 -10.048) 10.620 4.097 ( -0.905 -1.925 -2.821) 3.534 4.097 ( 0.905 -1.925 -2.821) 3.534 4.225 ( -0.983 1.301 -1.985) 2.569 4.225 ( 0.983 1.301 -1.985) 2.569 4.492 ( -1.136 -2.426 -2.711) 3.811 4.492 ( 1.136 -2.426 -2.711) 3.811 4.686 ( -0.861 -1.021 -13.001) 13.070 4.686 ( 0.861 -1.021 -13.001) 13.070 5.206 ( -1.661 -3.493 2.175) 4.437 5.206 ( 1.661 -3.493 2.175) 4.437 5.463 ( -1.699 7.358 -3.140) 8.179 5.463 ( 1.699 7.358 -3.140) 8.179 5.663 ( -4.008 -6.704 -5.710) 9.675 5.663 ( 4.008 -6.704 -5.710) 9.675 5.893 ( -0.609 5.764 -3.582) 6.814 5.893 ( 0.609 5.764 -3.582) 6.814 6.174 ( -1.554 0.621 0.975) 1.937 6.174 ( 1.554 0.621 0.975) 1.937 6.318 ( -0.676 0.380 -3.699) 3.780 6.318 ( 0.676 0.380 -3.699) 3.780 6.449 ( -2.558 -1.036 -2.403) 3.659 6.449 ( 2.558 -1.036 -2.403) 3.659 6.802 ( -4.036 -3.682 4.132) 6.850 6.802 ( 4.036 -3.682 4.132) 6.850 8.856 ( -0.514 10.246 -3.631) 10.882 8.856 ( 0.514 10.246 -3.631) 10.882 9.329 ( -5.547 0.756 1.394) 5.769 9.329 ( 5.547 0.756 1.394) 5.769 9.827 ( -2.111 1.197 14.616) 14.816 9.827 ( 2.111 1.197 14.616) 14.816 10.084 ( -5.677 -5.441 9.247) 12.138 10.084 ( 5.677 -5.441 9.247) 12.138 10.237 ( -2.588 -1.130 2.945) 4.080 10.237 ( 2.588 -1.130 2.945) 4.080 10.361 ( -1.471 1.455 8.770) 9.011 10.361 ( 1.471 1.455 8.770) 9.011 10.881 ( -2.390 -4.155 -8.553) 9.805 10.881 ( 2.390 -4.155 -8.553) 9.805 11.456 ( -1.439 -13.419 -13.714) 19.241 11.456 ( 1.439 -13.419 -13.714) 19.241 12.012 ( -3.723 9.232 -5.885) 11.564 12.012 ( 3.723 9.232 -5.885) 11.564 12.270 ( -5.015 -0.442 0.898) 5.114 12.270 ( 5.015 -0.442 0.898) 5.114 18.492 ( -0.575 0.613 -1.296) 1.545 18.492 ( 0.575 0.613 -1.296) 1.545 18.835 ( -0.395 -5.285 0.833) 5.365 18.835 ( 0.395 -5.285 0.833) 5.365 19.051 ( -1.179 6.880 -0.929) 7.042 19.051 ( 1.179 6.880 -0.929) 7.042 19.221 ( -3.872 7.697 -4.350) 9.652 19.221 ( 3.872 7.697 -4.350) 9.652 20.169 ( -2.428 1.592 -0.379) 2.928 20.169 ( 2.428 1.592 -0.379) 2.928 20.479 ( -2.484 -1.276 0.393) 2.820 20.479 ( 2.484 -1.276 0.393) 2.820 20.927 ( -0.718 1.178 1.362) 1.938 20.927 ( 0.718 1.178 1.362) 1.938 21.455 ( -7.066 -7.453 6.095) 11.943 21.455 ( 7.066 -7.453 6.095) 11.943 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 7.530 -6.794) 10.141 1.276 ( 0.000 -0.249 -8.555) 8.558 1.330 ( 0.000 8.655 2.659) 9.054 1.411 ( 0.000 2.878 0.785) 2.983 1.493 ( 0.000 5.551 7.918) 9.671 1.668 ( 0.000 2.834 1.441) 3.180 1.688 ( 0.000 3.063 -2.791) 4.144 1.801 ( 0.000 2.694 -4.413) 5.170 2.020 ( 0.000 3.000 6.452) 7.115 2.097 ( 0.000 -0.529 -5.144) 5.171 2.190 ( 0.000 5.056 1.517) 5.278 2.341 ( 0.000 -3.850 -5.835) 6.990 2.550 ( 0.000 0.067 14.000) 14.000 2.646 ( 0.000 2.985 -3.244) 4.409 2.662 ( 0.000 8.100 1.251) 8.197 2.717 ( 0.000 -2.043 9.173) 9.397 2.882 ( 0.000 -0.831 -6.857) 6.907 2.923 ( 0.000 -2.630 12.840) 13.107 3.027 ( 0.000 15.682 15.306) 21.913 3.148 ( 0.000 2.969 -0.861) 3.091 3.226 ( 0.000 -0.489 2.188) 2.242 3.530 ( 0.000 -3.738 -3.100) 4.856 3.663 ( 0.000 7.081 -9.618) 11.943 3.789 ( 0.000 -0.544 -2.245) 2.310 4.034 ( 0.000 -0.261 -4.629) 4.636 4.094 ( 0.000 1.316 -7.229) 7.348 4.186 ( 0.000 -1.953 -7.129) 7.392 4.259 ( 0.000 0.525 -6.608) 6.629 4.412 ( 0.000 -2.927 -7.355) 7.916 4.463 ( 0.000 -4.390 -6.482) 7.829 4.609 ( 0.000 2.356 -8.984) 9.288 4.616 ( 0.000 -0.258 -5.898) 5.904 5.170 ( 0.000 1.167 2.050) 2.358 5.175 ( 0.000 -2.863 0.996) 3.031 5.386 ( 0.000 -8.883 0.526) 8.898 5.543 ( 0.000 -9.959 -0.356) 9.965 5.644 ( 0.000 6.630 -4.745) 8.153 5.721 ( 0.000 9.036 -2.811) 9.463 5.959 ( 0.000 2.603 -3.281) 4.188 6.050 ( 0.000 2.238 3.625) 4.260 6.100 ( 0.000 -5.922 -0.984) 6.003 6.137 ( 0.000 -4.055 3.907) 5.631 6.212 ( 0.000 0.129 -5.172) 5.173 6.315 ( 0.000 6.000 0.629) 6.033 6.398 ( 0.000 2.892 -5.328) 6.062 6.466 ( 0.000 -2.311 -3.492) 4.188 6.778 ( 0.000 0.276 -1.862) 1.882 6.806 ( 0.000 -3.939 -3.467) 5.248 9.041 ( 0.000 9.858 0.801) 9.891 9.115 ( 0.000 10.956 -2.239) 11.182 9.324 ( 0.000 8.581 6.433) 10.725 9.506 ( 0.000 1.738 1.882) 2.562 9.609 ( 0.000 -6.985 16.800) 18.194 9.727 ( 0.000 -6.352 15.136) 16.415 10.044 ( 0.000 -0.629 3.052) 3.116 10.160 ( 0.000 -0.692 5.338) 5.383 10.239 ( 0.000 7.373 9.766) 12.236 10.261 ( 0.000 -0.432 3.870) 3.894 10.490 ( 0.000 -1.163 5.451) 5.573 10.514 ( 0.000 -10.976 -6.084) 12.550 10.649 ( 0.000 4.753 -1.925) 5.128 10.677 ( 0.000 -4.461 -8.749) 9.820 11.156 ( 0.000 -13.650 -15.330) 20.527 11.223 ( 0.000 -9.411 -7.410) 11.978 12.027 ( 0.000 3.542 -6.005) 6.971 12.047 ( 0.000 2.175 -5.591) 6.000 12.317 ( 0.000 3.075 -0.443) 3.107 12.403 ( 0.000 -0.924 -2.023) 2.224 18.471 ( 0.000 1.788 0.325) 1.818 18.472 ( 0.000 1.142 0.307) 1.182 18.721 ( 0.000 -3.617 2.891) 4.630 18.754 ( 0.000 -4.144 1.262) 4.332 19.223 ( 0.000 8.170 -3.819) 9.018 19.244 ( 0.000 8.054 -2.494) 8.431 19.320 ( 0.000 6.208 -3.638) 7.196 19.410 ( 0.000 2.455 -9.340) 9.657 20.260 ( 0.000 -0.031 0.468) 0.469 20.262 ( 0.000 6.012 1.339) 6.159 20.360 ( 0.000 -2.328 3.239) 3.989 20.496 ( 0.000 -2.823 -0.728) 2.915 20.956 ( 0.000 3.776 2.947) 4.789 20.975 ( 0.000 2.020 2.446) 3.172 21.160 ( 0.000 -5.587 8.195) 9.918 21.364 ( 0.000 -13.593 2.870) 13.893 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 2.790 5.492 -6.080) 8.655 1.224 ( -2.802 2.357 -6.572) 7.523 1.279 ( -4.333 5.581 -3.131) 7.728 1.396 ( -2.941 2.573 -3.605) 5.317 1.528 ( 3.531 5.874 8.798) 11.152 1.670 ( -1.277 4.412 -0.155) 4.596 1.738 ( 4.011 1.792 1.166) 4.545 1.796 ( 0.071 3.072 -3.353) 4.548 2.007 ( -0.988 4.664 4.764) 6.740 2.068 ( -1.717 0.581 -1.513) 2.361 2.137 ( -3.318 3.307 2.143) 5.152 2.293 ( -5.332 -5.254 -3.563) 8.290 2.604 ( 3.890 3.493 11.665) 12.783 2.670 ( 1.749 6.220 -0.284) 6.468 2.703 ( 3.387 -0.602 4.465) 5.637 2.732 ( 2.715 3.742 2.226) 5.131 2.879 ( -2.149 -1.921 8.546) 9.019 2.941 ( 3.924 -1.266 -3.074) 5.144 3.039 ( -2.381 5.430 11.173) 12.649 3.117 ( -0.657 5.302 0.757) 5.396 3.253 ( 3.326 2.612 3.382) 5.415 3.553 ( 1.699 -2.699 -4.606) 5.603 3.581 ( -7.588 7.105 -2.878) 10.787 3.718 ( -5.373 0.245 -8.071) 9.699 4.050 ( 1.484 0.308 -5.288) 5.501 4.097 ( -0.132 1.206 -6.193) 6.311 4.195 ( 1.011 -2.044 -5.975) 6.395 4.251 ( -0.940 -0.815 -5.582) 5.719 4.411 ( 1.236 -1.618 -2.536) 3.253 4.507 ( 0.133 -0.519 -8.010) 8.028 4.578 ( 1.375 -2.446 -9.544) 9.948 4.654 ( 0.990 -1.092 -10.956) 11.054 5.159 ( -0.581 0.038 2.647) 2.710 5.171 ( -0.612 -1.008 1.902) 2.238 5.396 ( 1.159 -9.303 0.131) 9.376 5.504 ( -3.421 -11.245 -0.765) 11.779 5.655 ( 1.339 9.588 -3.931) 10.449 5.714 ( -0.794 9.433 -3.274) 10.016 5.987 ( 2.196 4.325 -1.964) 5.233 6.041 ( -0.496 2.099 2.200) 3.081 6.104 ( 0.308 -5.190 -0.550) 5.228 6.181 ( -2.501 -0.883 -3.987) 4.789 6.197 ( 5.109 -4.902 2.407) 7.478 6.321 ( -0.172 1.719 -2.210) 2.805 6.436 ( 3.312 4.102 -2.435) 5.807 6.475 ( 1.072 0.656 -4.546) 4.717 6.747 ( -2.657 -0.786 -1.027) 2.955 6.772 ( -3.178 -4.383 -2.694) 6.047 9.064 ( 2.168 10.422 0.899) 10.683 9.126 ( 0.621 11.687 -0.964) 11.743 9.320 ( 0.134 4.975 4.882) 6.972 9.450 ( -4.872 1.412 3.942) 6.424 9.685 ( 6.987 -4.289 13.879) 16.120 9.766 ( 3.760 -5.134 14.571) 15.900 10.028 ( -2.078 -1.533 5.315) 5.909 10.136 ( -6.395 -0.734 11.075) 12.810 10.180 ( -0.548 4.641 3.329) 5.737 10.271 ( -1.997 -1.356 5.051) 5.598 10.377 ( -4.093 -3.852 -2.070) 5.990 10.439 ( -4.389 -2.649 2.608) 5.752 10.729 ( 5.382 -1.608 -8.762) 10.408 10.784 ( 5.022 0.470 -5.475) 7.444 11.152 ( 0.135 -13.677 -14.261) 19.761 11.213 ( -1.185 -10.419 -8.911) 13.761 12.068 ( 4.087 4.071 -5.058) 7.672 12.109 ( 5.319 1.946 -4.973) 7.537 12.282 ( -3.368 2.845 -0.489) 4.435 12.361 ( -4.140 -0.761 -1.788) 4.573 18.493 ( 1.908 1.734 0.269) 2.592 18.500 ( 2.289 1.920 -0.031) 2.988 18.711 ( -0.747 -4.428 2.345) 5.066 18.741 ( -1.294 -4.782 1.181) 5.093 19.225 ( 0.306 8.327 -3.557) 9.060 19.246 ( -0.059 8.476 -2.719) 8.902 19.325 ( 0.809 5.433 -3.955) 6.769 19.396 ( -1.431 2.995 -8.205) 8.851 20.231 ( -1.270 2.905 1.565) 3.536 20.257 ( -1.415 4.371 0.434) 4.615 20.381 ( 2.024 -3.212 2.351) 4.466 20.477 ( -1.842 -3.046 -0.382) 3.580 20.962 ( 0.514 3.573 2.870) 4.612 20.976 ( 0.037 2.621 2.470) 3.602 21.189 ( 2.847 -6.912 7.655) 10.699 21.333 ( -2.926 -12.395 3.920) 13.326 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -2.523 4.901 -4.850) 7.342 1.190 ( 2.523 4.901 -4.850) 7.342 1.284 ( -6.927 1.591 -7.096) 10.043 1.284 ( 6.927 1.591 -7.096) 10.043 1.610 ( -4.136 5.826 3.693) 8.043 1.610 ( 4.136 5.826 3.693) 8.043 1.795 ( -1.127 3.056 -0.127) 3.259 1.795 ( 1.127 3.056 -0.127) 3.259 2.015 ( -2.385 5.439 4.845) 7.664 2.015 ( 2.385 5.439 4.845) 7.664 2.168 ( -5.835 -4.487 -1.676) 7.549 2.168 ( 5.835 -4.487 -1.676) 7.549 2.661 ( -2.282 5.497 5.211) 7.911 2.661 ( 2.282 5.497 5.211) 7.911 2.778 ( -3.912 1.403 5.450) 6.854 2.778 ( 3.912 1.403 5.450) 6.854 2.893 ( -7.307 2.059 3.261) 8.262 2.893 ( 7.307 2.059 3.261) 8.262 3.074 ( -5.126 -2.921 0.509) 5.922 3.074 ( 5.126 -2.921 0.509) 5.922 3.386 ( -9.573 8.933 4.277) 13.774 3.386 ( 9.573 8.933 4.277) 13.774 3.621 ( -4.220 -0.803 -9.111) 10.073 3.621 ( 4.220 -0.803 -9.111) 10.073 4.081 ( -1.420 0.990 -5.524) 5.789 4.081 ( 1.420 0.990 -5.524) 5.789 4.224 ( -1.643 -2.075 -4.844) 5.519 4.224 ( 1.643 -2.075 -4.844) 5.519 4.459 ( -3.157 0.628 -3.100) 4.469 4.459 ( 3.157 0.628 -3.100) 4.469 4.639 ( -2.572 -3.812 -13.734) 14.484 4.639 ( 2.572 -3.812 -13.734) 14.484 5.158 ( -0.479 -0.032 3.095) 3.132 5.158 ( 0.479 -0.032 3.095) 3.132 5.436 ( -2.944 -10.278 -0.520) 10.704 5.436 ( 2.944 -10.278 -0.520) 10.704 5.689 ( -1.704 10.133 -3.658) 10.908 5.689 ( 1.704 10.133 -3.658) 10.908 6.024 ( -1.406 4.716 0.761) 4.979 6.024 ( 1.406 4.716 0.761) 4.979 6.130 ( -2.313 -4.097 -2.669) 5.409 6.130 ( 2.313 -4.097 -2.669) 5.409 6.288 ( -3.323 -3.642 -0.608) 4.968 6.288 ( 3.323 -3.642 -0.608) 4.968 6.490 ( -0.951 5.097 -3.854) 6.461 6.490 ( 0.951 5.097 -3.854) 6.461 6.716 ( -0.957 -4.086 -0.703) 4.255 6.716 ( 0.957 -4.086 -0.703) 4.255 9.113 ( -2.124 11.963 0.928) 12.185 9.113 ( 2.124 11.963 0.928) 12.185 9.356 ( -3.762 1.117 3.300) 5.128 9.356 ( 3.762 1.117 3.300) 5.128 9.818 ( -2.568 -1.249 14.375) 14.656 9.818 ( 2.568 -1.249 14.375) 14.656 9.993 ( -2.723 -3.236 8.290) 9.306 9.993 ( 2.723 -3.236 8.290) 9.306 10.206 ( -2.576 -0.264 3.136) 4.067 10.206 ( 2.576 -0.264 3.136) 4.067 10.378 ( -2.001 -1.910 1.656) 3.224 10.378 ( 2.001 -1.910 1.656) 3.224 10.810 ( -2.119 0.162 -8.396) 8.661 10.810 ( 2.119 0.162 -8.396) 8.661 11.177 ( -2.110 -12.492 -11.532) 17.131 11.177 ( 2.110 -12.492 -11.532) 17.131 12.163 ( -3.992 4.902 -4.500) 7.760 12.163 ( 3.992 4.902 -4.500) 7.760 12.258 ( -4.898 -0.729 -0.822) 5.020 12.258 ( 4.898 -0.729 -0.822) 5.020 18.524 ( -0.487 2.558 -0.001) 2.604 18.524 ( 0.487 2.558 -0.001) 2.604 18.712 ( -1.118 -5.709 1.359) 5.975 18.712 ( 1.118 -5.709 1.359) 5.975 19.236 ( -0.746 8.636 -3.052) 9.190 19.236 ( 0.746 8.636 -3.052) 9.190 19.357 ( -2.203 4.165 -5.703) 7.398 19.357 ( 2.203 4.165 -5.703) 7.398 20.227 ( -0.962 4.014 1.073) 4.264 20.227 ( 0.962 4.014 1.073) 4.264 20.430 ( -2.670 -3.415 0.713) 4.393 20.430 ( 2.670 -3.415 0.713) 4.393 20.972 ( -0.430 3.262 2.656) 4.228 20.972 ( 0.430 3.262 2.656) 4.228 21.261 ( -4.017 -9.681 6.028) 12.091 21.261 ( 4.017 -9.681 6.028) 12.091 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 0.000 -3.680 -10.149) 10.796 1.231 ( 0.000 3.680 -10.149) 10.796 1.439 ( 0.000 -1.079 -1.516) 1.861 1.439 ( 0.000 1.079 -1.516) 1.861 1.617 ( 0.000 -4.177 11.853) 12.567 1.617 ( 0.000 4.177 11.853) 12.567 1.808 ( 0.000 -3.012 -1.847) 3.533 1.808 ( 0.000 3.012 -1.847) 3.533 2.062 ( 0.000 -1.330 1.235) 1.815 2.062 ( 0.000 1.330 1.235) 1.815 2.260 ( 0.000 -2.645 -0.132) 2.649 2.260 ( 0.000 2.645 -0.132) 2.649 2.608 ( 0.000 -4.077 7.984) 8.965 2.608 ( 0.000 4.077 7.984) 8.965 2.787 ( 0.000 -2.587 -0.003) 2.587 2.787 ( 0.000 2.587 -0.003) 2.587 2.824 ( 0.000 -2.655 3.728) 4.576 2.824 ( 0.000 2.655 3.728) 4.576 3.195 ( 0.000 -2.432 1.415) 2.814 3.195 ( 0.000 2.432 1.415) 2.814 3.361 ( 0.000 -11.970 5.033) 12.985 3.361 ( 0.000 11.970 5.033) 12.985 3.778 ( 0.000 -2.351 -3.591) 4.293 3.778 ( 0.000 2.351 -3.591) 4.293 4.075 ( 0.000 -3.827 -11.165) 11.803 4.075 ( 0.000 3.827 -11.165) 11.803 4.209 ( 0.000 -4.594 -11.282) 12.181 4.209 ( 0.000 4.594 -11.282) 12.181 4.393 ( 0.000 -1.601 -2.870) 3.286 4.393 ( 0.000 1.601 -2.870) 3.286 4.628 ( 0.000 -0.698 -9.242) 9.268 4.628 ( 0.000 0.698 -9.242) 9.268 5.186 ( 0.000 -3.675 1.693) 4.047 5.186 ( 0.000 3.675 1.693) 4.047 5.302 ( 0.000 -7.137 2.118) 7.445 5.302 ( 0.000 7.137 2.118) 7.445 5.856 ( 0.000 -5.981 -4.514) 7.493 5.856 ( 0.000 5.981 -4.514) 7.493 5.963 ( 0.000 -5.355 2.083) 5.746 5.963 ( 0.000 5.355 2.083) 5.746 6.044 ( 0.000 -2.439 3.697) 4.429 6.044 ( 0.000 2.439 3.697) 4.429 6.315 ( 0.000 -5.327 -4.032) 6.681 6.315 ( 0.000 5.327 -4.032) 6.681 6.449 ( 0.000 -0.683 -2.665) 2.752 6.449 ( 0.000 0.683 -2.665) 2.752 6.767 ( 0.000 -0.332 -5.494) 5.504 6.767 ( 0.000 0.332 -5.494) 5.504 9.212 ( 0.000 -3.749 0.896) 3.855 9.212 ( 0.000 3.749 0.896) 3.855 9.498 ( 0.000 -2.449 9.729) 10.033 9.498 ( 0.000 2.449 9.729) 10.033 9.550 ( 0.000 -7.573 14.002) 15.919 9.550 ( 0.000 7.574 14.002) 15.919 10.141 ( 0.000 -4.839 3.209) 5.806 10.141 ( 0.000 4.839 3.209) 5.806 10.245 ( 0.000 -2.773 0.104) 2.775 10.245 ( 0.000 2.773 0.104) 2.775 10.451 ( 0.000 -3.325 0.537) 3.368 10.451 ( 0.000 3.325 0.537) 3.368 10.664 ( 0.000 -3.404 -7.451) 8.192 10.664 ( 0.000 3.404 -7.451) 8.192 11.047 ( 0.000 -4.957 -7.478) 8.972 11.047 ( 0.000 4.957 -7.478) 8.972 12.066 ( 0.000 -0.370 -5.189) 5.202 12.066 ( 0.000 0.370 -5.189) 5.202 12.372 ( 0.000 -2.007 -1.875) 2.746 12.372 ( 0.000 2.007 -1.875) 2.746 18.493 ( 0.000 -0.191 0.888) 0.908 18.493 ( 0.000 0.191 0.888) 0.908 18.689 ( 0.000 -1.084 2.060) 2.328 18.689 ( 0.000 1.084 2.060) 2.328 19.326 ( 0.000 -0.742 -4.246) 4.310 19.326 ( 0.000 0.742 -4.246) 4.310 19.419 ( 0.000 -2.277 -6.795) 7.167 19.419 ( 0.000 2.277 -6.795) 7.167 20.282 ( 0.000 -2.190 3.226) 3.900 20.282 ( 0.000 2.190 3.226) 3.900 20.411 ( 0.000 -5.150 -0.327) 5.161 20.411 ( 0.000 5.150 -0.327) 5.161 21.030 ( 0.000 -2.000 5.021) 5.404 21.030 ( 0.000 2.000 5.021) 5.404 21.118 ( 0.000 -7.368 4.054) 8.410 21.118 ( 0.000 7.368 4.054) 8.410 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.061 -2.169 -9.155) 9.409 1.216 ( -0.061 2.169 -9.155) 9.409 1.389 ( -4.966 -3.136 -3.485) 6.830 1.389 ( -4.966 3.136 -3.485) 6.830 1.664 ( 4.274 -4.843 10.423) 12.262 1.664 ( 4.274 4.843 10.423) 12.262 1.799 ( -1.065 -2.783 -0.027) 2.980 1.799 ( -1.065 2.783 -0.027) 2.980 2.063 ( 0.403 -0.876 0.463) 1.070 2.063 ( 0.403 0.876 0.463) 1.070 2.202 ( -5.284 -2.875 1.201) 6.134 2.202 ( -5.284 2.875 1.201) 6.134 2.666 ( 5.045 -2.438 7.187) 9.113 2.666 ( 5.045 2.438 7.187) 9.113 2.791 ( -0.679 -4.694 7.618) 8.974 2.791 ( -0.679 4.694 7.618) 8.974 2.855 ( 4.001 -5.496 -3.162) 7.497 2.855 ( 4.001 5.496 -3.162) 7.497 3.124 ( -6.152 -2.963 1.549) 7.002 3.124 ( -6.152 2.963 1.549) 7.002 3.426 ( 5.563 -8.936 2.486) 10.816 3.426 ( 5.563 8.936 2.486) 10.816 3.703 ( -6.599 -3.083 -3.818) 8.224 3.703 ( -6.599 3.083 -3.818) 8.224 4.097 ( 1.978 -3.321 -8.459) 9.300 4.097 ( 1.978 3.321 -8.459) 9.300 4.189 ( -1.805 -3.666 -8.189) 9.152 4.189 ( -1.805 3.666 -8.189) 9.152 4.443 ( 4.243 -3.861 -6.893) 8.968 4.443 ( 4.243 3.861 -6.893) 8.968 4.602 ( -2.542 -3.313 -9.405) 10.290 4.602 ( -2.542 3.313 -9.405) 10.290 5.198 ( 1.205 -4.209 2.022) 4.822 5.198 ( 1.205 4.209 2.022) 4.822 5.280 ( -2.056 -6.438 2.271) 7.130 5.280 ( -2.056 6.438 2.271) 7.130 5.877 ( 1.862 -5.384 -3.539) 6.707 5.877 ( 1.862 5.384 -3.539) 6.707 5.951 ( -1.226 -4.150 0.723) 4.387 5.951 ( -1.226 4.150 0.723) 4.387 6.088 ( 4.203 -4.641 2.667) 6.805 6.088 ( 4.203 4.641 2.667) 6.805 6.271 ( -3.662 -5.248 -2.793) 6.983 6.271 ( -3.662 5.248 -2.793) 6.983 6.504 ( 4.725 -0.238 -3.175) 5.698 6.504 ( 4.725 0.238 -3.175) 5.698 6.723 ( -4.234 -0.321 -4.860) 6.454 6.723 ( -4.234 0.321 -4.860) 6.454 9.236 ( 2.555 -3.549 2.236) 4.911 9.236 ( 2.555 3.549 2.236) 4.911 9.417 ( -5.248 -3.894 9.184) 11.271 9.417 ( -5.248 3.894 9.184) 11.271 9.668 ( 8.958 -2.564 11.677) 14.939 9.668 ( 8.958 2.564 11.677) 14.939 10.075 ( -7.209 -4.225 5.379) 9.938 10.075 ( -7.209 4.225 5.379) 9.938 10.251 ( 0.655 -3.932 0.184) 3.991 10.251 ( 0.655 3.932 0.184) 3.991 10.343 ( -5.858 -6.141 0.335) 8.494 10.343 ( -5.858 6.141 0.335) 8.494 10.787 ( 8.274 -5.360 -8.227) 12.841 10.787 ( 8.274 5.360 -8.227) 12.841 11.019 ( -2.877 -5.445 -8.050) 10.136 11.019 ( -2.877 5.445 -8.050) 10.136 12.118 ( 4.849 -0.890 -4.218) 6.488 12.118 ( 4.849 0.890 -4.218) 6.488 12.334 ( -3.800 -1.838 -2.012) 4.676 12.334 ( -3.800 1.838 -2.012) 4.676 18.526 ( 3.155 -0.505 0.818) 3.298 18.526 ( 3.155 0.505 0.818) 3.298 18.665 ( -2.376 -1.141 1.660) 3.115 18.665 ( -2.376 1.141 1.660) 3.115 19.338 ( 1.193 -1.313 -4.373) 4.719 19.338 ( 1.193 1.313 -4.373) 4.719 19.405 ( -1.344 -2.397 -6.202) 6.784 19.405 ( -1.344 2.397 -6.202) 6.784 20.294 ( 1.247 -3.610 2.645) 4.646 20.294 ( 1.247 3.610 2.645) 4.646 20.386 ( -2.314 -5.315 0.130) 5.798 20.386 ( -2.314 5.315 0.130) 5.798 21.045 ( 1.411 -3.011 4.909) 5.929 21.045 ( 1.411 3.011 4.909) 5.929 21.107 ( -1.060 -6.628 4.231) 7.934 21.107 ( -1.060 6.628 4.231) 7.934 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -5.547 -2.435 -6.807) 9.112 1.272 ( -4.903 2.060 -6.807) 8.638 1.272 ( 4.903 -2.060 -6.807) 8.638 1.272 ( 5.547 2.435 -6.807) 9.112 1.753 ( -3.215 -6.080 5.467) 8.786 1.753 ( 2.025 -5.950 5.467) 8.331 1.753 ( -2.025 5.950 5.467) 8.331 1.753 ( 3.215 6.080 5.467) 8.786 2.100 ( -3.283 -2.555 0.850) 4.246 2.100 ( -0.438 -1.970 0.850) 2.190 2.100 ( 0.438 1.970 0.850) 2.190 2.100 ( 3.283 2.555 0.850) 4.246 2.754 ( -2.674 -3.219 7.314) 8.427 2.754 ( 0.884 -2.961 7.314) 7.940 2.754 ( -0.884 2.961 7.314) 7.940 2.754 ( 2.674 3.219 7.314) 8.427 2.979 ( -7.759 -5.024 -0.823) 9.280 2.979 ( 6.290 -4.481 -0.823) 7.767 2.979 ( -6.290 4.481 -0.823) 7.767 2.979 ( 7.759 5.024 -0.823) 9.280 3.558 ( -7.383 -5.763 -1.309) 9.457 3.558 ( 6.527 -5.498 -1.309) 8.634 3.558 ( -6.527 5.498 -1.309) 8.634 3.558 ( 7.383 5.763 -1.309) 9.457 4.144 ( -2.106 -4.250 -6.742) 8.243 4.144 ( 1.261 -4.165 -6.742) 8.024 4.144 ( -1.261 4.165 -6.742) 8.024 4.144 ( 2.106 4.250 -6.742) 8.243 4.532 ( -4.102 -5.272 -9.305) 11.454 4.532 ( 3.128 -5.102 -9.305) 11.064 4.532 ( -3.128 5.102 -9.305) 11.064 4.532 ( 4.102 5.272 -9.305) 11.454 5.234 ( -1.839 -7.172 2.358) 7.770 5.234 ( 1.481 -7.151 2.358) 7.674 5.234 ( -1.481 7.151 2.358) 7.674 5.234 ( 1.839 7.172 2.358) 7.770 5.917 ( -1.002 -10.240 -1.388) 10.382 5.917 ( 0.672 -10.234 -1.388) 10.349 5.917 ( -0.672 10.234 -1.388) 10.349 5.917 ( 1.002 10.240 -1.388) 10.382 6.184 ( -4.935 -5.527 -0.334) 7.417 6.184 ( 4.898 -5.519 -0.334) 7.387 6.184 ( -4.898 5.519 -0.334) 7.387 6.184 ( 4.935 5.527 -0.334) 7.417 6.615 ( -3.180 -4.971 -3.782) 7.008 6.615 ( -2.645 -4.892 -3.782) 6.725 6.615 ( 2.645 4.892 -3.782) 6.725 6.615 ( 3.180 4.971 -3.782) 7.008 9.312 ( -3.737 -5.814 5.481) 8.821 9.312 ( 0.823 -5.521 5.481) 7.823 9.312 ( -0.823 5.521 5.481) 7.823 9.312 ( 3.737 5.814 5.481) 8.821 9.877 ( -8.134 -5.129 9.129) 13.259 9.877 ( -6.914 -4.661 9.129) 12.364 9.877 ( 6.914 4.661 9.129) 12.364 9.877 ( 8.134 5.129 9.129) 13.259 10.274 ( -1.767 -5.752 0.155) 6.020 10.274 ( 1.694 -5.747 0.155) 5.993 10.274 ( -1.694 5.747 0.155) 5.993 10.274 ( 1.767 5.752 0.155) 6.020 10.931 ( -4.501 -9.611 -8.796) 13.785 10.931 ( 2.109 -9.404 -8.796) 13.048 10.931 ( -2.109 9.404 -8.796) 13.048 10.931 ( 4.501 9.611 -8.796) 13.785 12.233 ( -5.812 -1.743 -2.723) 6.650 12.233 ( -4.700 0.343 -2.723) 5.442 12.233 ( 4.700 -0.343 -2.723) 5.442 12.233 ( 5.812 1.743 -2.723) 6.650 18.601 ( -2.190 -4.201 1.002) 4.842 18.601 ( -0.834 -4.077 1.002) 4.280 18.601 ( 0.834 4.077 1.002) 4.280 18.601 ( 2.190 4.201 1.002) 4.842 19.370 ( -1.580 -3.080 -5.045) 6.119 19.370 ( 0.883 -3.010 -5.045) 5.941 19.370 ( -0.883 3.010 -5.045) 5.941 19.370 ( 1.580 3.080 -5.045) 6.119 20.333 ( -2.548 -5.317 1.320) 6.042 20.333 ( 2.415 -5.302 1.320) 5.974 20.333 ( -2.415 5.302 1.320) 5.974 20.333 ( 2.548 5.317 1.320) 6.042 21.078 ( -1.327 -6.817 4.602) 8.331 21.078 ( 1.113 -6.807 4.602) 8.292 21.078 ( -1.113 6.807 4.602) 8.292 21.078 ( 1.327 6.817 4.602) 8.331 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 0.000 4.531) 4.531 0.945 ( 0.000 0.000 -14.759) 14.759 1.197 ( 0.000 0.000 6.913) 6.913 1.216 ( 0.000 0.000 -2.576) 2.576 1.288 ( 0.000 0.000 1.587) 1.587 1.316 ( 0.000 0.000 -10.505) 10.505 1.599 ( 0.000 0.000 -3.745) 3.745 1.633 ( 0.000 0.000 -11.955) 11.955 1.939 ( 0.000 0.000 14.484) 14.484 2.140 ( 0.000 0.000 8.442) 8.442 2.177 ( 0.000 0.000 -8.825) 8.825 2.308 ( 0.000 0.000 14.903) 14.903 2.339 ( 0.000 0.000 -11.386) 11.386 2.478 ( 0.000 0.000 -4.639) 4.639 2.535 ( 0.000 0.000 -1.509) 1.509 2.645 ( 0.000 0.000 -5.918) 5.918 2.877 ( 0.000 0.000 7.857) 7.857 2.959 ( 0.000 0.000 0.082) 0.082 3.117 ( 0.000 0.000 12.750) 12.750 3.281 ( 0.000 0.000 2.698) 2.698 3.359 ( 0.000 0.000 -5.083) 5.083 3.370 ( 0.000 0.000 -11.695) 11.695 3.405 ( 0.000 0.000 16.464) 16.464 3.719 ( 0.000 0.000 -13.621) 13.621 4.096 ( 0.000 0.000 2.032) 2.032 4.137 ( 0.000 0.000 -1.418) 1.418 4.182 ( 0.000 0.000 3.727) 3.727 4.240 ( 0.000 0.000 0.820) 0.820 4.412 ( 0.000 0.000 1.000) 1.000 4.428 ( 0.000 0.000 -1.501) 1.501 4.450 ( 0.000 0.000 -4.202) 4.202 4.543 ( 0.000 0.000 -7.041) 7.041 5.244 ( 0.000 0.000 -0.282) 0.282 5.263 ( 0.000 0.000 -1.748) 1.748 5.299 ( 0.000 0.000 0.709) 0.709 5.338 ( 0.000 0.000 -3.022) 3.022 5.672 ( 0.000 0.000 3.052) 3.052 5.749 ( 0.000 0.000 -2.210) 2.210 5.760 ( 0.000 0.000 -3.016) 3.016 5.806 ( 0.000 0.000 -10.023) 10.023 6.128 ( 0.000 0.000 -0.338) 0.338 6.152 ( 0.000 0.000 2.639) 2.639 6.167 ( 0.000 0.000 -3.477) 3.477 6.169 ( 0.000 0.000 0.086) 0.086 6.471 ( 0.000 0.000 1.991) 1.991 6.503 ( 0.000 0.000 -1.678) 1.678 6.876 ( 0.000 0.000 6.587) 6.587 6.962 ( 0.000 0.000 -1.719) 1.719 8.660 ( 0.000 0.000 -1.312) 1.312 8.673 ( 0.000 0.000 -2.527) 2.527 9.223 ( 0.000 0.000 5.385) 5.385 9.335 ( 0.000 0.000 -5.570) 5.570 9.969 ( 0.000 0.000 5.628) 5.628 10.000 ( 0.000 0.000 2.601) 2.601 10.204 ( 0.000 0.000 7.782) 7.782 10.296 ( 0.000 0.000 -0.100) 0.100 10.362 ( 0.000 0.000 6.126) 6.126 10.515 ( 0.000 0.000 -8.606) 8.606 10.673 ( 0.000 0.000 4.430) 4.430 10.726 ( 0.000 0.000 20.094) 20.094 10.731 ( 0.000 0.000 20.119) 20.119 10.801 ( 0.000 0.000 -7.335) 7.335 11.263 ( 0.000 0.000 -20.156) 20.156 11.279 ( 0.000 0.000 -21.188) 21.188 11.684 ( 0.000 0.000 0.439) 0.439 11.719 ( 0.000 0.000 -3.536) 3.536 12.320 ( 0.000 0.000 3.906) 3.906 12.381 ( 0.000 0.000 -2.341) 2.341 18.416 ( 0.000 0.000 0.151) 0.151 18.429 ( 0.000 0.000 -1.102) 1.102 18.889 ( 0.000 0.000 1.812) 1.812 18.922 ( 0.000 0.000 -1.500) 1.500 18.976 ( 0.000 0.000 1.515) 1.515 19.010 ( 0.000 0.000 5.426) 5.426 19.013 ( 0.000 0.000 -2.245) 2.245 19.131 ( 0.000 0.000 -7.015) 7.015 20.144 ( 0.000 0.000 2.719) 2.719 20.205 ( 0.000 0.000 -3.332) 3.332 20.477 ( 0.000 0.000 2.719) 2.719 20.523 ( 0.000 0.000 -1.914) 1.914 20.917 ( 0.000 0.000 0.907) 0.907 20.933 ( 0.000 0.000 -0.655) 0.655 21.532 ( 0.000 0.000 8.919) 8.919 21.679 ( 0.000 0.000 -5.869) 5.869 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 3.209 0.000 0.840) 3.318 0.919 ( -2.479 0.000 -12.350) 12.597 1.018 ( -11.413 0.000 -3.607) 11.970 1.099 ( -14.438 0.000 -9.162) 17.099 1.236 ( 1.886 0.000 -3.743) 4.191 1.308 ( -0.910 0.000 -9.367) 9.411 1.649 ( 8.914 0.000 10.355) 13.663 1.866 ( 9.887 0.000 -7.563) 12.448 1.956 ( 1.795 0.000 13.840) 13.956 2.080 ( -3.800 0.000 7.344) 8.269 2.230 ( -4.502 0.000 14.104) 14.805 2.233 ( 3.343 0.000 -7.250) 7.984 2.329 ( -1.131 0.000 -11.271) 11.327 2.450 ( -3.130 0.000 -5.158) 6.034 2.671 ( 7.264 0.000 -4.045) 8.314 2.720 ( 10.848 0.000 -4.751) 11.843 2.882 ( 0.651 0.000 6.864) 6.895 2.941 ( -1.641 0.000 1.261) 2.069 3.050 ( -4.792 0.000 11.983) 12.906 3.246 ( -8.468 0.000 2.274) 8.768 3.278 ( -3.140 0.000 -1.705) 3.573 3.340 ( -2.561 0.000 -2.598) 3.648 3.474 ( 5.170 0.000 3.268) 6.117 3.653 ( -4.921 0.000 -8.786) 10.070 4.105 ( 0.740 0.000 1.515) 1.686 4.133 ( -0.406 0.000 -0.931) 1.015 4.197 ( 1.356 0.000 3.396) 3.656 4.241 ( -0.311 0.000 1.848) 1.874 4.433 ( 0.462 0.000 -1.945) 2.000 4.449 ( -0.170 0.000 -3.856) 3.859 4.449 ( 3.346 0.000 -2.315) 4.069 4.543 ( -0.336 0.000 -7.258) 7.266 5.260 ( 1.379 0.000 0.238) 1.400 5.274 ( 0.859 0.000 -0.963) 1.291 5.305 ( 0.514 0.000 0.163) 0.539 5.332 ( -0.580 0.000 -2.487) 2.553 5.632 ( -2.809 0.000 0.689) 2.892 5.718 ( -6.688 0.000 -7.427) 9.994 5.750 ( 0.288 0.000 -1.620) 1.645 5.763 ( 0.103 0.000 -2.492) 2.494 6.147 ( -0.026 0.000 1.364) 1.364 6.170 ( -0.300 0.000 -0.672) 0.736 6.183 ( 3.753 0.000 -1.481) 4.034 6.204 ( 2.712 0.000 -3.195) 4.191 6.473 ( 0.277 0.000 2.050) 2.068 6.498 ( -0.529 0.000 -0.676) 0.859 6.898 ( 2.019 0.000 5.756) 6.100 6.963 ( -0.275 0.000 -0.619) 0.677 8.661 ( 0.100 0.000 -1.508) 1.511 8.670 ( -0.255 0.000 -2.363) 2.377 9.264 ( 3.666 0.000 4.267) 5.625 9.349 ( 0.854 0.000 -4.143) 4.230 9.974 ( 0.494 0.000 5.174) 5.198 9.996 ( -0.389 0.000 3.036) 3.061 10.173 ( -2.019 0.000 5.551) 5.906 10.264 ( -3.715 0.000 -3.149) 4.870 10.361 ( 0.275 0.000 7.441) 7.446 10.447 ( -4.669 0.000 1.840) 5.018 10.704 ( 2.538 0.000 -2.402) 3.495 10.726 ( 0.087 0.000 20.085) 20.085 10.730 ( -0.060 0.000 20.102) 20.102 10.794 ( -1.095 0.000 -8.320) 8.392 11.266 ( 0.235 0.000 -20.295) 20.296 11.277 ( -0.215 0.000 -21.024) 21.025 11.732 ( 4.509 0.000 1.474) 4.744 11.780 ( 4.178 0.000 -3.414) 5.396 12.299 ( -1.584 0.000 3.331) 3.688 12.350 ( -2.854 0.000 -1.892) 3.424 18.435 ( 1.550 0.000 -0.217) 1.565 18.445 ( 1.224 0.000 -1.118) 1.657 18.893 ( 0.399 0.000 1.550) 1.601 18.916 ( -0.562 0.000 -0.551) 0.787 18.983 ( 0.612 0.000 0.500) 0.790 19.009 ( -0.454 0.000 -1.918) 1.971 19.022 ( 1.364 0.000 4.053) 4.276 19.112 ( -1.862 0.000 -5.178) 5.503 20.133 ( -0.647 0.000 1.862) 1.972 20.178 ( -2.308 0.000 -2.517) 3.414 20.482 ( 0.456 0.000 1.862) 1.917 20.514 ( -0.844 0.000 -1.368) 1.607 20.920 ( 0.259 0.000 0.708) 0.754 20.931 ( -0.200 0.000 -0.359) 0.411 21.558 ( 2.434 0.000 6.793) 7.216 21.661 ( -1.743 0.000 -3.528) 3.935 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -3.712 0.000 -6.444) 7.436 0.856 ( 3.712 0.000 -6.444) 7.436 0.906 ( -2.364 0.000 -12.073) 12.302 0.906 ( 2.364 0.000 -12.073) 12.302 1.278 ( -2.037 0.000 -6.463) 6.776 1.278 ( 2.037 0.000 -6.463) 6.776 1.845 ( -9.301 0.000 12.293) 15.415 1.845 ( 9.301 0.000 12.293) 15.415 2.008 ( -3.306 0.000 11.299) 11.773 2.008 ( 3.306 0.000 11.299) 11.773 2.292 ( -2.545 0.000 -10.001) 10.319 2.292 ( 2.545 0.000 -10.001) 10.319 2.305 ( -9.692 0.000 -5.872) 11.332 2.305 ( 9.692 0.000 -5.872) 11.332 2.843 ( -6.261 0.000 0.774) 6.308 2.843 ( 6.261 0.000 0.774) 6.308 2.906 ( -1.692 0.000 4.141) 4.474 2.906 ( 1.692 0.000 4.141) 4.474 3.037 ( -8.923 0.000 3.429) 9.559 3.037 ( 8.923 0.000 3.429) 9.559 3.269 ( -2.843 0.000 -2.807) 3.995 3.269 ( 2.843 0.000 -2.807) 3.995 3.568 ( -4.120 0.000 -0.639) 4.169 3.568 ( 4.120 0.000 -0.639) 4.169 4.121 ( -0.818 0.000 0.279) 0.864 4.121 ( 0.818 0.000 0.279) 0.864 4.225 ( -1.211 0.000 2.783) 3.035 4.225 ( 1.211 0.000 2.783) 3.035 4.442 ( -0.448 0.000 -2.951) 2.984 4.442 ( 0.448 0.000 -2.951) 2.984 4.515 ( -2.669 0.000 -6.086) 6.646 4.515 ( 2.669 0.000 -6.086) 6.646 5.282 ( -0.393 0.000 0.446) 0.595 5.282 ( 0.393 0.000 0.446) 0.595 5.318 ( -0.770 0.000 -1.166) 1.398 5.318 ( 0.770 0.000 -1.166) 1.398 5.618 ( -2.298 0.000 -3.823) 4.461 5.618 ( 2.298 0.000 -3.823) 4.461 5.759 ( -0.479 0.000 -1.459) 1.536 5.759 ( 0.479 0.000 -1.459) 1.536 6.156 ( -0.824 0.000 -0.680) 1.068 6.156 ( 0.824 0.000 -0.680) 1.068 6.231 ( -0.593 0.000 -2.354) 2.428 6.231 ( 0.593 0.000 -2.354) 2.428 6.484 ( -0.759 0.000 1.188) 1.409 6.484 ( 0.759 0.000 1.188) 1.409 6.941 ( -1.941 0.000 2.668) 3.299 6.941 ( 1.941 0.000 2.668) 3.299 8.665 ( -0.248 0.000 -1.952) 1.968 8.665 ( 0.248 0.000 -1.952) 1.968 9.336 ( -2.655 0.000 0.382) 2.683 9.336 ( 2.655 0.000 0.382) 2.683 9.986 ( -0.623 0.000 4.095) 4.142 9.986 ( 0.623 0.000 4.095) 4.142 10.178 ( -3.160 0.000 -0.566) 3.210 10.178 ( 3.160 0.000 -0.566) 3.210 10.382 ( -1.984 0.000 7.547) 7.803 10.382 ( 1.984 0.000 7.547) 7.803 10.728 ( -0.105 0.000 20.080) 20.080 10.728 ( 0.105 0.000 20.080) 20.080 10.757 ( -2.488 0.000 -7.223) 7.640 10.757 ( 2.488 0.000 -7.223) 7.640 11.272 ( -0.320 0.000 -20.647) 20.650 11.272 ( 0.320 0.000 -20.647) 20.650 11.811 ( -1.917 0.000 -0.273) 1.936 11.811 ( 1.917 0.000 -0.273) 1.936 12.295 ( -1.789 0.000 0.418) 1.837 12.295 ( 1.789 0.000 0.418) 1.837 18.458 ( -0.297 0.000 -0.824) 0.876 18.458 ( 0.297 0.000 -0.824) 0.876 18.903 ( -0.636 0.000 0.752) 0.985 18.903 ( 0.636 0.000 0.752) 0.985 18.997 ( -0.710 0.000 -0.961) 1.195 18.997 ( 0.710 0.000 -0.961) 1.195 19.064 ( -2.663 0.000 -0.341) 2.685 19.064 ( 2.663 0.000 -0.341) 2.685 20.137 ( -1.306 0.000 -0.384) 1.361 20.137 ( 1.306 0.000 -0.384) 1.361 20.495 ( -0.912 0.000 0.102) 0.918 20.495 ( 0.912 0.000 0.102) 0.918 20.926 ( -0.300 0.000 0.212) 0.367 20.926 ( 0.300 0.000 0.212) 0.367 21.614 ( -2.856 0.000 1.752) 3.351 21.614 ( 2.856 0.000 1.752) 3.351 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 7.965 3.418) 8.667 1.056 ( 0.000 4.362 -12.237) 12.991 1.126 ( 0.000 2.700 -3.627) 4.521 1.192 ( 0.000 0.820 -9.386) 9.422 1.461 ( 0.000 8.552 5.091) 9.952 1.462 ( 0.000 13.654 5.924) 14.883 1.650 ( 0.000 5.188 -0.971) 5.278 1.767 ( 0.000 10.309 -12.353) 16.090 1.931 ( 0.000 -1.707 14.305) 14.407 2.158 ( 0.000 3.529 5.428) 6.474 2.172 ( 0.000 -6.627 -5.425) 8.564 2.230 ( 0.000 2.650 -1.307) 2.955 2.431 ( 0.000 7.659 0.745) 7.695 2.505 ( 0.000 1.962 -4.663) 5.059 2.676 ( 0.000 8.335 -0.801) 8.374 2.781 ( 0.000 9.890 -5.988) 11.562 2.863 ( 0.000 -0.655 9.459) 9.482 2.946 ( 0.000 -0.006 2.023) 2.023 3.151 ( 0.000 1.865 9.886) 10.061 3.259 ( 0.000 -2.724 -1.054) 2.921 3.359 ( 0.000 -3.580 16.252) 16.642 3.372 ( 0.000 1.725 -4.921) 5.215 3.399 ( 0.000 3.087 -6.902) 7.561 3.674 ( 0.000 -3.504 -13.646) 14.089 4.058 ( 0.000 -3.153 0.865) 3.269 4.089 ( 0.000 -4.225 -1.668) 4.542 4.162 ( 0.000 -1.921 1.289) 2.313 4.202 ( 0.000 -3.314 -1.666) 3.709 4.414 ( 0.000 0.147 3.184) 3.187 4.435 ( 0.000 -1.217 -2.877) 3.124 4.442 ( 0.000 1.196 -2.822) 3.065 4.537 ( 0.000 -0.509 -6.029) 6.050 5.209 ( 0.000 -2.258 0.208) 2.267 5.228 ( 0.000 -2.555 -1.496) 2.961 5.394 ( 0.000 7.937 0.567) 7.957 5.425 ( 0.000 6.738 -2.200) 7.088 5.598 ( 0.000 -5.436 1.423) 5.619 5.696 ( 0.000 -8.064 -7.724) 11.167 5.820 ( 0.000 5.810 -0.413) 5.824 5.859 ( 0.000 7.170 -3.819) 8.124 6.114 ( 0.000 -0.355 -1.000) 1.061 6.140 ( 0.000 -0.217 -3.513) 3.520 6.220 ( 0.000 1.405 1.959) 2.411 6.232 ( 0.000 5.050 1.635) 5.308 6.440 ( 0.000 -2.486 1.977) 3.176 6.465 ( 0.000 -3.012 -1.509) 3.369 6.829 ( 0.000 -3.787 4.056) 5.549 6.894 ( 0.000 -5.873 -1.978) 6.198 8.793 ( 0.000 10.338 -1.375) 10.429 8.794 ( 0.000 11.439 -1.577) 11.547 9.276 ( 0.000 4.963 5.180) 7.173 9.377 ( 0.000 4.022 -4.764) 6.235 9.933 ( 0.000 -2.548 5.880) 6.408 9.970 ( 0.000 -2.143 2.288) 3.135 10.256 ( 0.000 3.647 7.289) 8.150 10.314 ( 0.000 0.279 2.027) 2.046 10.347 ( 0.000 -2.748 9.183) 9.586 10.504 ( 0.000 -0.924 -7.468) 7.525 10.564 ( 0.000 -4.267 1.432) 4.501 10.597 ( 0.000 -9.942 11.004) 14.830 10.728 ( 0.000 -8.539 2.070) 8.786 10.764 ( 0.000 0.031 17.015) 17.015 11.095 ( 0.000 -13.344 -20.479) 24.443 11.146 ( 0.000 -6.763 -17.759) 19.003 11.808 ( 0.000 7.758 -1.823) 7.969 11.831 ( 0.000 7.067 -4.199) 8.220 12.318 ( 0.000 -0.118 3.037) 3.040 12.373 ( 0.000 -0.743 -2.476) 2.585 18.433 ( 0.000 1.503 0.136) 1.509 18.441 ( 0.000 1.130 -0.673) 1.315 18.850 ( 0.000 -3.207 0.930) 3.339 18.861 ( 0.000 -4.795 0.362) 4.809 19.034 ( 0.000 5.980 1.552) 6.178 19.058 ( 0.000 6.872 0.207) 6.875 19.141 ( 0.000 6.498 -0.600) 6.525 19.182 ( 0.000 4.091 -5.412) 6.784 20.180 ( 0.000 3.244 1.916) 3.767 20.221 ( 0.000 1.503 -2.259) 2.713 20.465 ( 0.000 -1.196 2.756) 3.004 20.511 ( 0.000 -1.176 -1.874) 2.213 20.934 ( 0.000 1.679 1.046) 1.978 20.949 ( 0.000 1.534 -0.393) 1.583 21.462 ( 0.000 -6.114 7.962) 10.039 21.587 ( 0.000 -8.018 -4.555) 9.222 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 3.064 6.739 -0.844) 7.451 1.004 ( -4.913 2.383 -8.841) 10.392 1.062 ( -6.656 5.596 -4.081) 9.606 1.113 ( -5.294 6.255 -8.913) 12.107 1.365 ( -1.994 10.497 -1.996) 10.870 1.434 ( -4.606 10.661 -6.238) 13.183 1.711 ( 6.657 5.510 9.837) 13.094 1.891 ( 2.404 1.316 -0.888) 2.881 1.954 ( 5.110 0.267 7.737) 9.276 2.117 ( -2.997 4.582 6.513) 8.508 2.173 ( 0.374 -5.658 -1.898) 5.980 2.238 ( -0.118 0.456 -2.133) 2.184 2.425 ( -0.329 10.769 -0.258) 10.777 2.529 ( 0.016 5.046 -5.534) 7.489 2.747 ( 6.020 5.173 -1.957) 8.175 2.809 ( 6.027 4.581 -0.891) 7.623 2.906 ( 3.040 3.000 4.051) 5.887 2.941 ( -0.165 1.927 2.348) 3.042 3.085 ( -4.894 2.187 9.835) 11.201 3.243 ( -6.118 -0.119 3.591) 7.095 3.293 ( -2.560 -4.247 -0.756) 5.016 3.325 ( -4.472 3.869 -3.564) 6.904 3.451 ( 4.057 -1.470 0.917) 4.411 3.613 ( -4.688 -3.018 -8.839) 10.450 4.063 ( 0.458 -3.487 0.922) 3.636 4.085 ( -0.374 -3.967 -0.781) 4.060 4.175 ( 1.152 -2.212 0.469) 2.538 4.210 ( 0.157 -3.000 -1.970) 3.593 4.433 ( 0.950 -0.597 0.416) 1.196 4.440 ( 0.321 -0.100 -1.653) 1.687 4.452 ( 1.809 0.239 -3.548) 3.990 4.533 ( -0.643 -0.745 -6.005) 6.085 5.220 ( 0.856 -2.497 0.636) 2.715 5.233 ( 0.321 -2.736 -0.701) 2.843 5.402 ( 0.714 7.941 -0.001) 7.973 5.423 ( -0.133 7.044 -2.020) 7.329 5.572 ( -1.825 -4.725 -0.067) 5.065 5.637 ( -4.641 -6.567 -5.981) 10.022 5.832 ( 0.979 6.660 -0.283) 6.737 5.862 ( 0.014 7.814 -2.668) 8.257 6.124 ( 0.597 -1.915 -1.734) 2.652 6.135 ( -0.291 -0.601 -2.682) 2.764 6.252 ( 2.260 2.623 0.188) 3.468 6.257 ( 2.145 3.782 0.424) 4.369 6.443 ( 0.305 -2.219 1.874) 2.920 6.462 ( -0.293 -2.729 -0.542) 2.798 6.837 ( 0.870 -4.940 3.707) 6.237 6.887 ( -0.807 -6.449 -1.020) 6.579 8.797 ( 0.406 11.206 -1.236) 11.281 8.801 ( 0.417 11.711 -1.670) 11.836 9.299 ( 2.165 3.379 3.946) 5.628 9.373 ( -0.569 2.451 -3.330) 4.174 9.962 ( 2.833 -1.097 5.181) 6.006 9.987 ( 1.818 -0.477 2.719) 3.305 10.204 ( -4.031 2.216 6.057) 7.606 10.288 ( -3.959 1.246 -1.661) 4.471 10.353 ( 0.399 -1.869 8.570) 8.781 10.414 ( -5.125 -2.741 5.838) 8.237 10.578 ( 0.715 -5.888 -1.738) 6.181 10.596 ( -0.159 -9.294 9.046) 12.971 10.749 ( 1.144 -5.485 4.895) 7.440 10.771 ( 0.511 -1.119 10.450) 10.522 11.101 ( 0.657 -12.579 -19.838) 23.499 11.139 ( -0.744 -7.903 -18.299) 19.947 11.857 ( 4.498 8.039 -0.864) 9.252 11.892 ( 4.531 7.308 -4.229) 9.582 12.292 ( -2.084 -0.509 2.687) 3.439 12.339 ( -3.096 -0.938 -2.066) 3.839 18.452 ( 1.510 1.515 -0.148) 2.144 18.457 ( 1.299 1.218 -0.681) 1.907 18.843 ( -0.459 -4.064 0.695) 4.148 18.854 ( -0.665 -4.702 -0.036) 4.749 19.043 ( 0.808 5.997 1.681) 6.280 19.062 ( 0.286 6.720 0.318) 6.734 19.142 ( 0.163 6.451 -0.838) 6.507 19.174 ( -0.841 4.742 -4.476) 6.575 20.167 ( -0.886 3.054 1.402) 3.475 20.198 ( -2.010 1.810 -1.637) 3.162 20.470 ( 0.472 -1.193 1.892) 2.286 20.502 ( -0.825 -1.173 -1.341) 1.963 20.938 ( 0.308 1.729 0.854) 1.953 20.948 ( -0.113 1.637 -0.142) 1.647 21.485 ( 2.092 -6.445 6.164) 9.160 21.573 ( -1.460 -7.768 -2.586) 8.316 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.761 3.256 -9.623) 10.187 0.937 ( 0.761 3.256 -9.623) 10.187 1.025 ( -4.010 10.437 -4.355) 11.999 1.025 ( 4.010 10.437 -4.355) 11.999 1.370 ( -1.935 8.989 -5.678) 10.806 1.370 ( 1.935 8.989 -5.678) 10.806 1.837 ( -5.504 0.562 10.510) 11.877 1.837 ( 5.504 0.562 10.510) 11.877 2.059 ( -3.609 2.807 4.103) 6.143 2.059 ( 3.609 2.807 4.103) 6.143 2.204 ( -2.657 -2.758 -0.939) 3.943 2.204 ( 2.657 -2.758 -0.939) 3.943 2.467 ( -4.511 10.153 -5.747) 12.508 2.467 ( 4.511 10.153 -5.747) 12.508 2.892 ( -5.860 1.650 5.284) 8.061 2.892 ( 5.860 1.650 5.284) 8.061 2.937 ( -5.026 4.411 1.755) 6.914 2.937 ( 5.026 4.411 1.755) 6.914 3.074 ( -8.503 2.467 1.923) 9.060 3.074 ( 8.503 2.467 1.923) 9.060 3.258 ( -0.319 -0.413 -4.189) 4.221 3.258 ( 0.319 -0.413 -4.189) 4.221 3.531 ( -3.806 -2.792 -0.932) 4.811 3.531 ( 3.806 -2.792 -0.932) 4.811 4.075 ( -0.644 -3.719 0.350) 3.791 4.075 ( 0.644 -3.719 0.350) 3.791 4.199 ( -1.094 -2.588 -1.047) 2.999 4.199 ( 1.094 -2.588 -1.047) 2.999 4.441 ( -0.150 -0.212 -1.692) 1.712 4.441 ( 0.150 -0.212 -1.692) 1.712 4.503 ( -2.436 -0.785 -4.724) 5.373 4.503 ( 2.436 -0.785 -4.724) 5.373 5.234 ( -0.390 -2.823 0.650) 2.923 5.234 ( 0.390 -2.823 0.650) 2.923 5.417 ( -0.618 7.768 -1.206) 7.885 5.417 ( 0.618 7.768 -1.206) 7.885 5.565 ( -1.768 -4.808 -3.152) 6.015 5.565 ( 1.768 -4.808 -3.152) 6.015 5.852 ( -0.938 7.771 -0.741) 7.862 5.852 ( 0.938 7.771 -0.741) 7.862 6.131 ( -0.232 -1.698 -2.598) 3.112 6.131 ( 0.232 -1.698 -2.598) 3.112 6.281 ( -0.264 2.944 -0.707) 3.040 6.281 ( 0.264 2.944 -0.707) 3.040 6.453 ( -0.636 -2.081 1.161) 2.466 6.453 ( 0.636 -2.081 1.161) 2.466 6.862 ( -1.493 -6.604 1.620) 6.961 6.862 ( 1.493 -6.604 1.620) 6.961 8.804 ( -0.178 12.045 -1.410) 12.128 8.804 ( 0.178 12.045 -1.410) 12.128 9.346 ( -2.177 1.210 0.423) 2.526 9.346 ( 2.177 1.210 0.423) 2.526 10.015 ( -1.066 2.262 4.362) 5.028 10.015 ( 1.066 2.262 4.362) 5.028 10.178 ( -3.757 -0.430 0.540) 3.820 10.178 ( 3.757 -0.430 0.540) 3.820 10.364 ( -0.970 -1.969 9.151) 9.411 10.364 ( 0.970 -1.969 9.151) 9.411 10.590 ( -0.452 -7.923 3.597) 8.713 10.590 ( 0.452 -7.923 3.597) 8.713 10.768 ( -0.757 -2.848 6.428) 7.071 10.768 ( 0.757 -2.848 6.428) 7.071 11.119 ( -1.102 -10.348 -19.078) 21.731 11.119 ( 1.102 -10.348 -19.078) 21.731 11.934 ( -1.572 8.284 -1.930) 8.649 11.934 ( 1.572 8.284 -1.930) 8.649 12.279 ( -1.752 -1.361 0.129) 2.222 12.279 ( 1.752 -1.361 0.129) 2.222 18.472 ( -0.180 1.461 -0.535) 1.566 18.472 ( 0.180 1.461 -0.535) 1.566 18.841 ( -0.382 -4.821 0.001) 4.836 18.841 ( 0.382 -4.821 0.001) 4.836 19.060 ( -0.648 6.224 1.101) 6.354 19.060 ( 0.648 6.224 1.101) 6.354 19.153 ( -1.010 5.979 -2.287) 6.481 19.153 ( 1.010 5.979 -2.287) 6.481 20.164 ( -0.905 2.495 -0.094) 2.656 20.164 ( 0.905 2.495 -0.094) 2.656 20.484 ( -0.914 -1.184 0.122) 1.501 20.484 ( 0.914 -1.184 0.122) 1.501 20.944 ( -0.283 1.754 0.380) 1.817 20.944 ( 0.283 1.754 0.380) 1.817 21.533 ( -2.437 -7.144 1.883) 7.779 21.533 ( 2.437 -7.144 1.883) 7.779 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 2.506 -3.539) 4.336 1.049 ( 0.000 -1.288 -9.910) 9.994 1.258 ( 0.000 5.997 -3.909) 7.158 1.297 ( 0.000 4.084 -7.034) 8.134 1.698 ( 0.000 12.060 8.688) 14.864 1.739 ( 0.000 11.058 5.578) 12.385 1.803 ( 0.000 7.290 7.837) 10.703 1.899 ( 0.000 -0.513 9.624) 9.638 1.977 ( 0.000 7.292 -7.676) 10.587 2.073 ( 0.000 -2.218 -5.829) 6.236 2.238 ( 0.000 2.596 3.206) 4.125 2.269 ( 0.000 0.780 0.421) 0.886 2.561 ( 0.000 3.149 -2.718) 4.160 2.593 ( 0.000 4.745 -4.162) 6.312 2.802 ( 0.000 3.435 4.010) 5.280 2.894 ( 0.000 0.046 4.465) 4.465 2.906 ( 0.000 5.383 13.295) 14.343 3.035 ( 0.000 6.259 -5.208) 8.142 3.141 ( 0.000 -2.985 4.456) 5.363 3.185 ( 0.000 -3.296 -4.779) 5.806 3.318 ( 0.000 1.449 10.984) 11.079 3.439 ( 0.000 -1.149 -5.043) 5.172 3.447 ( 0.000 5.005 -4.741) 6.894 3.627 ( 0.000 -0.214 -12.892) 12.894 3.984 ( 0.000 -4.242 -2.606) 4.978 3.996 ( 0.000 -1.827 -1.736) 2.520 4.102 ( 0.000 -3.495 -1.787) 3.925 4.110 ( 0.000 -4.970 -4.366) 6.615 4.411 ( 0.000 -0.754 0.322) 0.820 4.414 ( 0.000 -0.181 3.809) 3.813 4.471 ( 0.000 1.313 -4.061) 4.268 4.520 ( 0.000 -1.081 -4.440) 4.570 5.182 ( 0.000 -0.962 -0.059) 0.964 5.183 ( 0.000 0.398 -0.186) 0.440 5.415 ( 0.000 -7.176 2.663) 7.654 5.487 ( 0.000 -10.009 -4.163) 10.840 5.606 ( 0.000 10.792 0.564) 10.807 5.650 ( 0.000 9.647 -3.551) 10.280 5.951 ( 0.000 5.056 2.458) 5.622 6.033 ( 0.000 6.187 -4.780) 7.818 6.101 ( 0.000 -1.271 0.770) 1.486 6.134 ( 0.000 -0.521 -2.753) 2.802 6.206 ( 0.000 -2.002 4.809) 5.209 6.296 ( 0.000 -0.041 -3.341) 3.341 6.394 ( 0.000 -0.942 2.317) 2.501 6.421 ( 0.000 -0.070 -0.796) 0.799 6.742 ( 0.000 -3.932 -1.232) 4.121 6.749 ( 0.000 -6.485 -1.958) 6.774 9.051 ( 0.000 11.862 0.502) 11.873 9.071 ( 0.000 12.043 -1.670) 12.159 9.440 ( 0.000 10.435 4.807) 11.489 9.507 ( 0.000 7.812 -1.777) 8.012 9.874 ( 0.000 -3.275 8.306) 8.928 9.929 ( 0.000 -1.951 3.064) 3.632 10.166 ( 0.000 -9.572 9.833) 13.723 10.281 ( 0.000 -3.519 4.456) 5.678 10.334 ( 0.000 -0.364 4.259) 4.275 10.369 ( 0.000 -10.221 1.329) 10.307 10.481 ( 0.000 -3.643 -10.093) 10.730 10.505 ( 0.000 -4.952 -6.274) 7.993 10.544 ( 0.000 -1.064 11.972) 12.019 10.752 ( 0.000 -0.007 12.636) 12.636 10.837 ( 0.000 -7.768 -16.132) 17.904 11.019 ( 0.000 -5.848 -12.701) 13.982 11.939 ( 0.000 4.097 -2.270) 4.684 11.950 ( 0.000 3.611 -3.289) 4.885 12.320 ( 0.000 0.358 0.839) 0.912 12.353 ( 0.000 -0.975 -2.442) 2.630 18.475 ( 0.000 2.213 0.148) 2.218 18.476 ( 0.000 1.944 0.079) 1.946 18.763 ( 0.000 -3.907 1.215) 4.091 18.771 ( 0.000 -3.742 0.366) 3.760 19.187 ( 0.000 6.917 0.334) 6.925 19.217 ( 0.000 6.526 -1.231) 6.641 19.266 ( 0.000 4.608 -1.711) 4.916 19.272 ( 0.000 3.636 -3.764) 5.233 20.268 ( 0.000 2.826 0.375) 2.851 20.272 ( 0.000 5.029 0.003) 5.029 20.423 ( 0.000 -2.709 2.851) 3.933 20.470 ( 0.000 -2.747 -1.851) 3.312 20.998 ( 0.000 4.547 1.224) 4.709 21.005 ( 0.000 3.809 0.576) 3.853 21.297 ( 0.000 -8.493 5.479) 10.107 21.372 ( 0.000 -11.129 -1.835) 11.279 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.216 1.992 -5.184) 5.685 1.027 ( -1.024 0.597 -8.588) 8.670 1.212 ( -5.142 5.449 -2.950) 8.052 1.242 ( -4.417 3.776 -6.622) 8.810 1.648 ( -2.222 13.727 3.731) 14.398 1.697 ( -3.657 11.719 -0.091) 12.277 1.842 ( 1.857 4.625 9.875) 11.061 1.899 ( -0.303 1.107 6.855) 6.950 2.014 ( 3.732 3.206 -2.213) 5.395 2.080 ( 1.539 -2.311 -5.007) 5.725 2.205 ( -3.181 2.541 4.786) 6.283 2.244 ( -2.945 -0.096 0.515) 2.992 2.638 ( 5.887 5.810 -2.305) 8.587 2.660 ( 4.884 6.991 -2.541) 8.898 2.834 ( 3.106 4.281 5.702) 7.777 2.890 ( 3.067 3.095 5.695) 7.171 2.942 ( 1.969 1.333 10.863) 11.120 3.047 ( 0.048 3.531 -2.781) 4.495 3.108 ( -3.274 -0.545 5.790) 6.674 3.172 ( -2.552 -5.639 0.282) 6.196 3.280 ( -2.615 4.445 -1.153) 5.285 3.396 ( -4.454 0.322 -9.890) 10.852 3.436 ( 0.722 1.593 -1.221) 2.133 3.574 ( -4.617 -0.557 -8.891) 10.034 3.986 ( 0.590 -2.796 -1.380) 3.174 4.005 ( 0.319 -2.185 -2.877) 3.627 4.105 ( 0.403 -4.003 -2.579) 4.779 4.118 ( 0.360 -5.128 -4.965) 7.147 4.419 ( 0.847 -0.382 0.832) 1.247 4.435 ( 1.668 -0.332 2.440) 2.974 4.465 ( -0.406 0.799 -3.658) 3.767 4.513 ( -0.800 -1.153 -4.078) 4.312 5.188 ( 0.551 -0.545 0.523) 0.935 5.191 ( 0.582 0.323 0.222) 0.701 5.408 ( -0.356 -7.354 1.552) 7.524 5.458 ( -2.397 -9.082 -3.089) 9.888 5.616 ( 0.871 11.258 -0.066) 11.291 5.647 ( -0.349 10.526 -2.971) 10.942 5.980 ( 2.607 5.088 1.802) 5.995 6.045 ( 0.972 5.919 -3.513) 6.951 6.081 ( -1.410 -1.805 0.621) 2.373 6.113 ( -1.871 -0.842 -2.564) 3.284 6.239 ( 2.326 -2.789 2.422) 4.365 6.291 ( -0.439 -1.720 -2.029) 2.696 6.429 ( 2.683 0.687 0.763) 2.872 6.436 ( 1.686 1.717 0.080) 2.408 6.723 ( -1.663 -5.114 -0.883) 5.449 6.729 ( -1.815 -7.100 -1.482) 7.477 9.075 ( 2.270 12.968 0.581) 13.178 9.096 ( 2.020 13.310 -1.494) 13.545 9.409 ( -2.430 6.760 3.765) 8.110 9.463 ( -4.103 5.823 -1.493) 7.278 9.926 ( 5.462 -2.578 7.943) 9.979 9.971 ( 3.985 -1.735 3.780) 5.760 10.162 ( -1.147 -6.814 8.037) 10.600 10.264 ( -3.441 -4.704 0.474) 5.847 10.311 ( -1.952 1.156 6.610) 6.989 10.335 ( -3.744 -6.168 4.842) 8.689 10.429 ( -0.887 -5.663 4.584) 7.340 10.463 ( -1.542 -4.994 -6.475) 8.321 10.619 ( 3.622 -2.716 1.856) 4.893 10.748 ( -1.318 1.153 5.773) 6.033 10.851 ( 2.358 -9.504 -14.232) 17.275 10.992 ( -2.631 -6.435 -12.896) 14.651 11.996 ( 5.264 4.580 -1.541) 7.145 12.016 ( 5.628 3.799 -3.396) 7.592 12.284 ( -3.290 -0.027 0.802) 3.386 12.316 ( -3.639 -1.155 -2.234) 4.423 18.497 ( 1.813 2.465 0.127) 3.062 18.499 ( 1.947 2.590 -0.080) 3.241 18.744 ( -1.526 -4.474 1.038) 4.839 18.754 ( -1.565 -4.512 0.090) 4.776 19.195 ( 0.764 6.878 0.503) 6.938 19.219 ( 0.061 6.563 -0.760) 6.607 19.266 ( 0.100 4.552 -1.945) 4.951 19.274 ( 0.062 3.839 -3.573) 5.245 20.252 ( -1.109 3.882 0.674) 4.093 20.260 ( -1.157 4.678 -0.106) 4.821 20.426 ( 0.346 -2.952 2.028) 3.599 20.460 ( -0.956 -2.917 -1.320) 3.341 21.002 ( 0.338 4.508 1.138) 4.661 21.007 ( 0.169 4.072 0.642) 4.126 21.311 ( 1.247 -9.006 4.463) 10.128 21.363 ( -0.847 -10.831 -0.684) 10.885 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.522 4.769 -7.463) 8.986 1.027 ( 1.522 4.769 -7.463) 8.986 1.149 ( -2.620 1.244 -4.322) 5.205 1.149 ( 2.620 1.244 -4.322) 5.205 1.640 ( -1.433 13.473 0.429) 13.555 1.640 ( 1.433 13.473 0.429) 13.555 1.876 ( -1.834 2.031 5.302) 5.967 1.876 ( 1.834 2.031 5.302) 5.967 2.098 ( -3.473 1.283 -1.309) 3.927 2.098 ( 3.473 1.283 -1.309) 3.927 2.170 ( -3.083 -1.060 3.823) 5.024 2.170 ( 3.083 -1.060 3.823) 5.024 2.706 ( -0.562 10.725 -0.857) 10.774 2.706 ( 0.562 10.725 -0.857) 10.774 2.941 ( -5.341 3.282 9.607) 11.471 2.941 ( 5.341 3.282 9.607) 11.471 3.006 ( -5.642 0.678 3.416) 6.630 3.006 ( 5.642 0.678 3.416) 6.630 3.064 ( -5.600 -3.818 4.452) 8.109 3.064 ( 5.600 -3.818 4.452) 8.109 3.300 ( -4.069 4.414 -13.462) 14.740 3.300 ( 4.069 4.414 -13.462) 14.740 3.485 ( -3.771 -1.547 -2.644) 4.859 3.485 ( 3.771 -1.547 -2.644) 4.859 4.001 ( -0.675 -2.082 -2.067) 3.011 4.001 ( 0.675 -2.082 -2.067) 3.011 4.116 ( -0.506 -4.831 -4.332) 6.508 4.116 ( 0.506 -4.831 -4.332) 6.508 4.439 ( -1.030 0.318 0.375) 1.141 4.439 ( 1.030 0.318 0.375) 1.141 4.485 ( -1.973 -1.043 -2.701) 3.504 4.485 ( 1.973 -1.043 -2.701) 3.504 5.197 ( -0.149 0.123 0.932) 0.952 5.197 ( 0.149 0.123 0.932) 0.952 5.416 ( -1.404 -7.948 -0.930) 8.124 5.416 ( 1.404 -7.948 -0.930) 8.124 5.635 ( -0.901 11.500 -1.521) 11.636 5.635 ( 0.901 11.500 -1.521) 11.636 6.036 ( -2.455 6.345 1.004) 6.877 6.036 ( 2.455 6.345 1.004) 6.877 6.077 ( -1.357 -2.715 -2.586) 3.988 6.077 ( 1.357 -2.715 -2.586) 3.988 6.275 ( -1.273 -3.073 -0.594) 3.379 6.275 ( 1.273 -3.073 -0.594) 3.379 6.464 ( -0.283 3.228 0.371) 3.261 6.464 ( 0.283 3.228 0.371) 3.261 6.701 ( -0.194 -7.621 -0.682) 7.653 6.701 ( 0.194 -7.621 -0.682) 7.653 9.116 ( -0.825 15.360 -0.139) 15.383 9.116 ( 0.825 15.360 -0.139) 15.383 9.391 ( -1.716 2.423 0.688) 3.047 9.391 ( 1.716 2.423 0.688) 3.047 10.044 ( -1.069 -0.692 5.769) 5.908 10.044 ( 1.069 -0.692 5.769) 5.908 10.131 ( -3.209 -4.069 4.283) 6.723 10.131 ( 3.209 -4.069 4.283) 6.723 10.301 ( -0.602 -2.322 7.469) 7.844 10.301 ( 0.602 -2.322 7.469) 7.844 10.437 ( -0.934 -7.019 -0.717) 7.117 10.437 ( 0.934 -7.019 -0.717) 7.117 10.693 ( -3.749 -0.808 1.048) 3.975 10.693 ( 3.749 -0.808 1.048) 3.975 10.923 ( -4.061 -7.998 -12.956) 15.758 10.923 ( 4.061 -7.998 -12.956) 15.758 12.090 ( -1.415 5.818 -2.195) 6.377 12.090 ( 1.415 5.818 -2.195) 6.377 12.241 ( -1.653 -2.167 -0.638) 2.799 12.241 ( 1.653 -2.167 -0.638) 2.799 18.524 ( -0.154 3.348 -0.043) 3.352 18.524 ( 0.154 3.348 -0.043) 3.352 18.728 ( -0.403 -5.533 0.325) 5.557 18.728 ( 0.403 -5.533 0.325) 5.557 19.212 ( -0.771 6.731 0.239) 6.779 19.212 ( 0.771 6.731 0.239) 6.779 19.271 ( -0.331 4.252 -2.833) 5.120 19.271 ( 0.331 4.252 -2.833) 5.120 20.242 ( -0.292 4.624 0.376) 4.649 20.242 ( 0.292 4.624 0.376) 4.649 20.439 ( -0.960 -3.130 0.205) 3.280 20.439 ( 0.960 -3.130 0.205) 3.280 21.008 ( -0.148 4.398 0.884) 4.488 21.008 ( 0.148 4.398 0.884) 4.488 21.340 ( -1.460 -10.020 1.955) 10.313 21.340 ( 1.460 -10.020 1.955) 10.313 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 -1.377 -7.357) 7.485 1.024 ( 0.000 1.377 -7.357) 7.485 1.331 ( 0.000 -0.862 -5.190) 5.261 1.331 ( 0.000 0.862 -5.190) 5.261 1.864 ( 0.000 -0.449 11.522) 11.531 1.864 ( 0.000 0.449 11.522) 11.531 1.901 ( 0.000 -0.424 6.289) 6.304 1.901 ( 0.000 0.424 6.289) 6.304 2.043 ( 0.000 -0.842 -5.139) 5.208 2.043 ( 0.000 0.842 -5.139) 5.208 2.271 ( 0.000 -0.578 1.054) 1.202 2.271 ( 0.000 0.578 1.054) 1.202 2.622 ( 0.000 -1.544 -4.499) 4.756 2.622 ( 0.000 1.544 -4.499) 4.756 2.852 ( 0.000 -2.435 10.011) 10.303 2.852 ( 0.000 2.435 10.011) 10.303 3.035 ( 0.000 -5.123 10.012) 11.247 3.035 ( 0.000 5.123 10.012) 11.247 3.135 ( 0.000 -1.945 -6.155) 6.455 3.135 ( 0.000 1.945 -6.155) 6.455 3.385 ( 0.000 -3.145 -1.682) 3.567 3.385 ( 0.000 3.145 -1.682) 3.567 3.570 ( 0.000 -5.698 -11.864) 13.161 3.570 ( 0.000 5.698 -11.864) 13.161 3.973 ( 0.000 -2.135 -0.157) 2.141 3.973 ( 0.000 2.135 -0.157) 2.141 4.038 ( 0.000 -0.860 -5.408) 5.476 4.038 ( 0.000 0.860 -5.408) 5.476 4.407 ( 0.000 -0.295 2.448) 2.465 4.407 ( 0.000 0.295 2.448) 2.465 4.496 ( 0.000 -1.108 -4.052) 4.201 4.496 ( 0.000 1.108 -4.052) 4.201 5.201 ( 0.000 -1.204 0.129) 1.211 5.201 ( 0.000 1.204 0.129) 1.211 5.326 ( 0.000 -2.583 0.418) 2.616 5.326 ( 0.000 2.583 0.418) 2.616 5.787 ( 0.000 -2.053 -1.891) 2.791 5.787 ( 0.000 2.053 -1.891) 2.791 5.989 ( 0.000 -2.934 0.625) 3.000 5.989 ( 0.000 2.934 0.625) 3.000 6.126 ( 0.000 -3.663 3.655) 5.175 6.126 ( 0.000 3.663 3.655) 5.175 6.241 ( 0.000 -4.850 -3.107) 5.760 6.241 ( 0.000 4.850 -3.107) 5.760 6.415 ( 0.000 -1.681 -0.739) 1.837 6.415 ( 0.000 1.681 -0.739) 1.837 6.679 ( 0.000 -0.826 -2.676) 2.800 6.679 ( 0.000 0.826 -2.676) 2.800 9.208 ( 0.000 -0.797 -0.408) 0.896 9.208 ( 0.000 0.797 -0.408) 0.896 9.639 ( 0.000 -0.973 3.767) 3.891 9.639 ( 0.000 0.973 3.767) 3.891 9.823 ( 0.000 -3.821 10.636) 11.301 9.823 ( 0.000 3.821 10.636) 11.301 10.122 ( 0.000 -6.730 -2.910) 7.332 10.122 ( 0.000 6.730 -2.910) 7.332 10.281 ( 0.000 -2.670 3.538) 4.432 10.281 ( 0.000 2.670 3.538) 4.432 10.430 ( 0.000 -0.165 -7.245) 7.247 10.430 ( 0.000 0.165 -7.245) 7.247 10.639 ( 0.000 -6.671 7.566) 10.087 10.639 ( 0.000 6.671 7.566) 10.087 10.885 ( 0.000 -6.318 -8.321) 10.447 10.885 ( 0.000 6.318 -8.321) 10.447 11.984 ( 0.000 -0.261 -2.427) 2.441 11.984 ( 0.000 0.261 -2.427) 2.441 12.333 ( 0.000 -0.849 -1.381) 1.621 12.333 ( 0.000 0.849 -1.381) 1.621 18.505 ( 0.000 -0.078 0.323) 0.332 18.505 ( 0.000 0.078 0.323) 0.332 18.718 ( 0.000 -0.323 0.767) 0.832 18.718 ( 0.000 0.323 0.767) 0.832 19.281 ( 0.000 -1.057 -0.467) 1.155 19.281 ( 0.000 1.057 -0.467) 1.155 19.317 ( 0.000 -0.097 -3.205) 3.206 19.317 ( 0.000 0.097 -3.205) 3.206 20.335 ( 0.000 -2.478 1.849) 3.092 20.335 ( 0.000 2.478 1.849) 3.092 20.396 ( 0.000 -3.371 -0.896) 3.488 20.396 ( 0.000 3.371 -0.896) 3.488 21.104 ( 0.000 -2.011 2.091) 2.901 21.104 ( 0.000 2.011 2.091) 2.901 21.165 ( 0.000 -3.999 0.959) 4.113 21.165 ( 0.000 3.999 0.959) 4.113 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 1.363 -0.980 -6.915) 7.115 1.025 ( 1.363 0.980 -6.915) 7.115 1.275 ( -5.988 -0.620 -4.975) 7.810 1.275 ( -5.988 0.620 -4.975) 7.810 1.851 ( -1.153 -3.488 5.633) 6.725 1.851 ( -1.153 3.488 5.633) 6.725 1.881 ( -1.283 -5.308 6.667) 8.618 1.881 ( -1.283 5.308 6.667) 8.618 2.055 ( 2.198 -0.976 -2.668) 3.592 2.055 ( 2.198 0.976 -2.668) 3.592 2.236 ( -3.867 -0.679 1.684) 4.272 2.236 ( -3.867 0.679 1.684) 4.272 2.719 ( 9.069 -1.307 -2.525) 9.504 2.719 ( 9.069 1.307 -2.525) 9.504 2.895 ( 3.188 -1.900 9.131) 9.856 2.895 ( 3.188 1.900 9.131) 9.856 3.019 ( -1.474 -4.938 10.980) 12.130 3.019 ( -1.474 4.938 10.980) 12.130 3.108 ( -3.462 -1.480 -1.647) 4.109 3.108 ( -3.462 1.480 -1.647) 4.109 3.371 ( -0.156 -2.148 -6.665) 7.004 3.371 ( -0.156 2.148 -6.665) 7.004 3.515 ( -4.809 -4.877 -11.628) 13.495 3.515 ( -4.809 4.877 -11.628) 13.495 3.991 ( 1.433 -2.014 -1.461) 2.872 3.991 ( 1.433 2.014 -1.461) 2.872 4.034 ( -0.451 -0.972 -4.984) 5.098 4.034 ( -0.451 0.972 -4.984) 5.098 4.423 ( 1.494 -0.626 1.741) 2.378 4.423 ( 1.494 0.626 1.741) 2.378 4.487 ( -0.951 -1.223 -2.928) 3.313 4.487 ( -0.951 1.223 -2.928) 3.313 5.217 ( 1.600 -1.372 0.276) 2.126 5.217 ( 1.600 1.372 0.276) 2.126 5.305 ( -1.933 -2.308 0.458) 3.045 5.305 ( -1.933 2.308 0.458) 3.045 5.818 ( 2.851 -2.121 -1.747) 3.960 5.818 ( 2.851 2.121 -1.747) 3.960 5.956 ( -2.993 -2.415 -0.045) 3.846 5.956 ( -2.993 2.415 -0.045) 3.846 6.151 ( 2.108 -4.523 2.752) 5.698 6.151 ( 2.108 4.523 2.752) 5.698 6.228 ( -1.268 -4.428 -1.684) 4.905 6.228 ( -1.268 4.428 -1.684) 4.905 6.459 ( 4.107 -1.126 -1.176) 4.418 6.459 ( 4.107 1.126 -1.176) 4.418 6.647 ( -3.252 -0.891 -2.299) 4.081 6.647 ( -3.252 0.891 -2.299) 4.081 9.249 ( 4.245 -0.947 -0.030) 4.349 9.249 ( 4.245 0.947 -0.030) 4.349 9.541 ( -8.145 -2.391 3.036) 9.015 9.541 ( -8.145 2.391 3.036) 9.015 9.895 ( 6.355 -2.745 8.417) 10.898 9.895 ( 6.355 2.745 8.417) 10.898 10.118 ( -1.364 -4.236 -0.022) 4.450 10.118 ( -1.364 4.236 -0.022) 4.450 10.287 ( 0.690 -2.657 3.472) 4.426 10.287 ( 0.690 2.657 3.472) 4.426 10.387 ( -4.003 -2.454 -0.425) 4.714 10.387 ( -4.003 2.454 -0.425) 4.714 10.673 ( 3.668 -6.280 -0.285) 7.278 10.673 ( 3.668 6.280 -0.285) 7.278 10.852 ( -3.255 -6.323 -7.968) 10.680 10.852 ( -3.255 6.323 -7.968) 10.680 12.050 ( 5.990 -0.513 -2.041) 6.349 12.050 ( 5.990 0.513 -2.041) 6.349 12.294 ( -3.958 -0.821 -1.390) 4.275 12.294 ( -3.958 0.821 -1.390) 4.275 18.537 ( 3.074 -0.190 0.269) 3.091 18.537 ( 3.074 0.190 0.269) 3.091 18.688 ( -2.929 -0.408 0.568) 3.011 18.688 ( -2.929 0.408 0.568) 3.011 19.289 ( 0.752 -1.019 -0.703) 1.449 19.289 ( 0.752 1.019 -0.703) 1.449 19.316 ( -0.231 -0.355 -2.696) 2.729 19.316 ( -0.231 0.355 -2.696) 2.729 20.335 ( 0.206 -2.907 1.419) 3.242 20.335 ( 0.206 2.907 1.419) 3.242 20.380 ( -1.472 -3.494 -0.544) 3.830 20.380 ( -1.472 3.494 -0.544) 3.830 21.116 ( 1.092 -2.392 1.944) 3.270 21.116 ( 1.092 2.392 1.944) 3.270 21.159 ( -0.644 -3.758 1.145) 3.981 21.159 ( -0.644 3.758 1.145) 3.981 ======================= Grid point 159 (60/60) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -6.550 -2.500 -5.714) 9.045 1.119 ( -5.527 -1.779 -5.714) 8.147 1.119 ( 5.527 1.779 -5.714) 8.147 1.119 ( 6.550 2.501 -5.714) 9.045 1.852 ( -1.113 -5.463 3.409) 6.535 1.852 ( 1.007 -5.458 3.409) 6.513 1.852 ( -1.007 5.458 3.409) 6.513 1.852 ( 1.113 5.463 3.409) 6.535 2.137 ( -4.704 -1.694 1.396) 5.191 2.137 ( -3.699 -0.871 1.396) 4.049 2.137 ( 3.699 0.871 1.396) 4.049 2.137 ( 4.704 1.694 1.396) 5.191 2.901 ( -2.496 -7.371 0.940) 7.838 2.901 ( -1.759 -7.317 0.940) 7.584 2.901 ( 1.759 7.317 0.940) 7.584 2.901 ( 2.496 7.371 0.940) 7.838 3.011 ( -3.148 -2.198 9.941) 10.657 3.011 ( 2.834 -2.089 9.941) 10.546 3.011 ( -2.834 2.089 9.941) 10.546 3.011 ( 3.148 2.198 9.941) 10.657 3.416 ( -3.250 -5.134 -11.490) 12.997 3.416 ( 0.536 -4.877 -11.490) 12.494 3.416 ( -0.536 4.877 -11.490) 12.494 3.416 ( 3.250 5.134 -11.490) 12.997 4.018 ( -0.646 -3.452 -3.514) 4.968 4.018 ( 0.308 -3.440 -3.514) 4.927 4.018 ( -0.308 3.440 -3.514) 4.927 4.018 ( 0.646 3.452 -3.514) 4.968 4.458 ( -1.745 -1.266 -0.420) 2.196 4.458 ( 0.557 -0.958 -0.420) 1.185 4.458 ( -0.557 0.958 -0.420) 1.185 4.458 ( 1.745 1.266 -0.420) 2.196 5.259 ( -1.198 -5.602 0.453) 5.746 5.259 ( 0.253 -5.571 0.453) 5.595 5.259 ( -0.253 5.571 0.453) 5.595 5.259 ( 1.198 5.602 0.453) 5.747 5.886 ( -1.323 -10.989 -1.114) 11.124 5.886 ( 0.099 -10.969 -1.114) 11.026 5.886 ( -0.099 10.969 -1.114) 11.026 5.886 ( 1.323 10.989 -1.114) 11.124 6.194 ( -1.912 -5.022 0.633) 5.410 6.194 ( 1.769 -5.008 0.633) 5.349 6.194 ( -1.769 5.008 0.633) 5.349 6.194 ( 1.912 5.022 0.633) 5.410 6.558 ( -3.029 -5.073 -1.648) 6.134 6.558 ( -1.491 -4.899 -1.648) 5.380 6.558 ( 1.491 4.899 -1.648) 5.380 6.558 ( 3.029 5.073 -1.648) 6.134 9.373 ( -5.142 -5.726 1.157) 7.783 9.373 ( -3.062 -5.341 1.157) 6.264 9.373 ( 3.062 5.341 1.157) 6.264 9.373 ( 5.142 5.726 1.157) 7.783 10.036 ( -5.713 -2.248 4.937) 7.878 10.036 ( -4.500 -1.399 4.937) 6.825 10.036 ( 4.500 1.399 4.937) 6.825 10.036 ( 5.713 2.248 4.937) 7.878 10.315 ( -2.230 -3.406 3.132) 5.137 10.315 ( 1.568 -3.313 3.132) 4.821 10.315 ( -1.568 3.313 3.132) 4.821 10.315 ( 2.230 3.406 3.132) 5.137 10.766 ( -5.038 -6.327 -6.319) 10.264 10.766 ( 4.994 -6.319 -6.319) 10.237 10.766 ( -4.994 6.319 -6.319) 10.237 10.766 ( 5.038 6.327 -6.319) 10.264 12.184 ( -5.328 -2.540 -1.550) 6.103 12.184 ( -4.302 -1.996 -1.550) 4.989 12.184 ( 4.302 1.996 -1.550) 4.989 12.184 ( 5.328 2.540 -1.550) 6.103 18.613 ( -1.921 -4.555 0.295) 4.952 18.613 ( -1.416 -4.509 0.295) 4.735 18.613 ( 1.416 4.509 0.295) 4.735 18.613 ( 1.921 4.555 0.295) 4.952 19.306 ( -0.559 -1.402 -1.562) 2.172 19.306 ( 0.253 -1.380 -1.562) 2.099 19.306 ( -0.253 1.380 -1.562) 2.099 19.306 ( 0.559 1.402 -1.562) 2.172 20.350 ( -0.950 -4.991 0.395) 5.096 20.350 ( 0.781 -4.984 0.395) 5.060 20.350 ( -0.781 4.984 0.395) 5.060 20.350 ( 0.950 4.991 0.395) 5.096 21.140 ( -0.548 -7.996 1.564) 8.166 21.140 ( 0.393 -7.994 1.564) 8.155 21.140 ( -0.393 7.994 1.564) 8.155 21.140 ( 0.548 7.996 1.564) 8.166 =================== 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 3/18144 10.0 258.795 226.280 244.175 0.000 0.000 0.000 3/18144 20.0 58.380 60.486 60.881 0.000 0.000 -0.000 3/18144 30.0 28.596 31.029 31.053 0.000 0.000 -0.000 3/18144 40.0 17.683 19.413 19.789 0.000 0.000 -0.000 3/18144 50.0 12.355 13.622 14.089 0.000 0.000 -0.000 3/18144 60.0 9.337 10.327 10.781 0.000 0.000 -0.000 3/18144 70.0 7.450 8.264 8.680 0.000 0.000 -0.000 3/18144 80.0 6.180 6.875 7.252 0.000 0.000 -0.000 3/18144 90.0 5.276 5.886 6.229 0.000 0.000 -0.000 3/18144 100.0 4.603 5.149 5.464 0.000 0.000 -0.000 3/18144 110.0 4.085 4.581 4.873 0.000 0.000 -0.000 3/18144 120.0 3.674 4.131 4.403 0.000 0.000 -0.000 3/18144 130.0 3.340 3.765 4.021 0.000 0.000 -0.000 3/18144 140.0 3.064 3.463 3.705 0.000 0.000 -0.000 3/18144 150.0 2.831 3.209 3.438 0.000 0.000 -0.000 3/18144 160.0 2.633 2.992 3.210 0.000 0.000 -0.000 3/18144 170.0 2.462 2.805 3.013 0.000 0.000 -0.000 3/18144 180.0 2.312 2.643 2.840 0.000 0.000 -0.000 3/18144 190.0 2.181 2.499 2.688 0.000 0.000 -0.000 3/18144 200.0 2.064 2.372 2.553 0.000 0.000 -0.000 3/18144 210.0 1.960 2.258 2.432 0.000 0.000 -0.000 3/18144 220.0 1.866 2.156 2.323 0.000 0.000 -0.000 3/18144 230.0 1.781 2.064 2.224 0.000 0.000 -0.000 3/18144 240.0 1.703 1.979 2.133 0.000 0.000 -0.000 3/18144 250.0 1.633 1.902 2.050 0.000 0.000 -0.000 3/18144 260.0 1.568 1.831 1.974 0.000 0.000 -0.000 3/18144 270.0 1.508 1.766 1.904 0.000 0.000 -0.000 3/18144 280.0 1.453 1.705 1.838 0.000 0.000 -0.000 3/18144 290.0 1.402 1.649 1.778 0.000 0.000 -0.000 3/18144 300.0 1.355 1.596 1.721 0.000 0.000 -0.000 3/18144 310.0 1.310 1.547 1.668 0.000 0.000 -0.000 3/18144 320.0 1.269 1.501 1.618 0.000 0.000 -0.000 3/18144 330.0 1.230 1.458 1.572 0.000 0.000 -0.000 3/18144 340.0 1.193 1.417 1.528 0.000 0.000 -0.000 3/18144 350.0 1.159 1.379 1.486 0.000 0.000 -0.000 3/18144 360.0 1.127 1.343 1.447 0.000 0.000 -0.000 3/18144 370.0 1.096 1.308 1.410 0.000 0.000 -0.000 3/18144 380.0 1.067 1.275 1.374 0.000 0.000 -0.000 3/18144 390.0 1.040 1.244 1.341 0.000 0.000 -0.000 3/18144 400.0 1.014 1.215 1.309 0.000 0.000 -0.000 3/18144 410.0 0.989 1.187 1.278 0.000 0.000 -0.000 3/18144 420.0 0.965 1.160 1.249 0.000 0.000 -0.000 3/18144 430.0 0.943 1.134 1.222 0.000 0.000 -0.000 3/18144 440.0 0.921 1.110 1.195 0.000 0.000 -0.000 3/18144 450.0 0.901 1.086 1.170 0.000 0.000 -0.000 3/18144 460.0 0.881 1.064 1.145 0.000 0.000 -0.000 3/18144 470.0 0.863 1.042 1.122 0.000 0.000 -0.000 3/18144 480.0 0.845 1.022 1.100 0.000 0.000 -0.000 3/18144 490.0 0.828 1.002 1.078 0.000 0.000 -0.000 3/18144 500.0 0.811 0.983 1.057 0.000 0.000 -0.000 3/18144 510.0 0.795 0.964 1.038 0.000 0.000 -0.000 3/18144 520.0 0.780 0.946 1.018 0.000 0.000 -0.000 3/18144 530.0 0.765 0.929 1.000 0.000 0.000 -0.000 3/18144 540.0 0.751 0.913 0.982 0.000 0.000 -0.000 3/18144 550.0 0.738 0.897 0.965 0.000 0.000 -0.000 3/18144 560.0 0.724 0.881 0.948 0.000 0.000 -0.000 3/18144 570.0 0.712 0.867 0.932 0.000 0.000 -0.000 3/18144 580.0 0.700 0.852 0.917 0.000 0.000 -0.000 3/18144 590.0 0.688 0.838 0.902 0.000 0.000 -0.000 3/18144 600.0 0.676 0.825 0.887 0.000 0.000 -0.000 3/18144 610.0 0.665 0.812 0.873 0.000 0.000 -0.000 3/18144 620.0 0.655 0.799 0.860 0.000 0.000 -0.000 3/18144 630.0 0.644 0.787 0.846 0.000 0.000 -0.000 3/18144 640.0 0.634 0.775 0.834 0.000 0.000 -0.000 3/18144 650.0 0.624 0.764 0.821 0.000 0.000 -0.000 3/18144 660.0 0.615 0.752 0.809 0.000 0.000 -0.000 3/18144 670.0 0.606 0.742 0.797 0.000 0.000 -0.000 3/18144 680.0 0.597 0.731 0.786 0.000 0.000 -0.000 3/18144 690.0 0.588 0.721 0.775 0.000 0.000 -0.000 3/18144 700.0 0.580 0.711 0.764 0.000 0.000 -0.000 3/18144 710.0 0.572 0.701 0.754 0.000 0.000 -0.000 3/18144 720.0 0.564 0.692 0.743 0.000 0.000 -0.000 3/18144 730.0 0.556 0.682 0.734 0.000 0.000 -0.000 3/18144 740.0 0.549 0.673 0.724 0.000 0.000 -0.000 3/18144 750.0 0.542 0.665 0.714 0.000 0.000 -0.000 3/18144 760.0 0.534 0.656 0.705 0.000 0.000 -0.000 3/18144 770.0 0.528 0.648 0.696 0.000 0.000 -0.000 3/18144 780.0 0.521 0.640 0.688 0.000 0.000 -0.000 3/18144 790.0 0.514 0.632 0.679 0.000 0.000 -0.000 3/18144 800.0 0.508 0.624 0.671 0.000 0.000 -0.000 3/18144 810.0 0.502 0.617 0.663 0.000 0.000 -0.000 3/18144 820.0 0.495 0.609 0.655 0.000 0.000 -0.000 3/18144 830.0 0.490 0.602 0.647 0.000 0.000 -0.000 3/18144 840.0 0.484 0.595 0.640 0.000 0.000 -0.000 3/18144 850.0 0.478 0.588 0.632 0.000 0.000 -0.000 3/18144 860.0 0.473 0.582 0.625 0.000 0.000 -0.000 3/18144 870.0 0.467 0.575 0.618 0.000 0.000 -0.000 3/18144 880.0 0.462 0.569 0.611 0.000 0.000 -0.000 3/18144 890.0 0.457 0.563 0.604 0.000 0.000 -0.000 3/18144 900.0 0.452 0.557 0.598 0.000 0.000 -0.000 3/18144 910.0 0.447 0.551 0.591 0.000 0.000 -0.000 3/18144 920.0 0.442 0.545 0.585 0.000 0.000 -0.000 3/18144 930.0 0.437 0.539 0.579 0.000 0.000 -0.000 3/18144 940.0 0.432 0.533 0.573 0.000 0.000 -0.000 3/18144 950.0 0.428 0.528 0.567 0.000 0.000 -0.000 3/18144 960.0 0.423 0.522 0.561 0.000 0.000 -0.000 3/18144 970.0 0.419 0.517 0.555 0.000 0.000 -0.000 3/18144 980.0 0.415 0.512 0.550 0.000 0.000 -0.000 3/18144 990.0 0.411 0.507 0.544 0.000 0.000 -0.000 3/18144 1000.0 0.407 0.502 0.539 0.000 0.000 -0.000 3/18144 Thermal conductivity related properties were written into "kappa-m469.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:34:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|