----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:46:04]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.141036500012071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): *1 Ba 0.26514274841380 0.77953756286912 0.04682489651194 137.327 *2 Ba 0.26639651826541 0.44041361819373 0.17707593127368 137.327 3 Ba 0.73360348173459 0.94041361819373 0.32292406872632 137.327 4 Ba 0.73485725158620 0.27953756286912 0.45317510348806 137.327 5 Ba 0.26514274841380 0.72046243713088 0.54682489651194 137.327 6 Ba 0.26639651826541 0.05958638180627 0.67707593127368 137.327 7 Ba 0.73360348173459 0.55958638180627 0.82292406872632 137.327 8 Ba 0.73485725158620 0.22046243713088 0.95317510348806 137.327 *9 Y 0.21894820223032 0.12804650533682 0.21984550391695 88.906 10 Y 0.78105179776968 0.62804650533682 0.28015449608305 88.906 11 Y 0.21894820223032 0.37195349466318 0.71984550391695 88.906 12 Y 0.78105179776968 0.87195349466318 0.78015449608305 88.906 *13 Br 0.70375465255848 0.85973169030202 0.02971642719331 79.904 *14 Br 0.00370453500875 0.60351259588350 0.06866017412585 79.904 *15 Br 0.51098875507196 0.60521193723777 0.08191265132017 79.904 *16 Br 0.87199227765553 0.06911651538948 0.12018842289984 79.904 *17 Br 0.49179013988833 0.25944446762592 0.19978686535584 79.904 *18 Br 0.99838271369854 0.27478401211183 0.20649158000047 79.904 *19 Br 0.29932365588157 0.95867262097061 0.21204384456506 79.904 20 Br 0.70067634411843 0.45867262097061 0.28795615543494 79.904 21 Br 0.00161728630146 0.77478401211183 0.29350841999953 79.904 22 Br 0.50820986011167 0.75944446762592 0.30021313464416 79.904 23 Br 0.12800772234447 0.56911651538948 0.37981157710016 79.904 24 Br 0.48901124492804 0.10521193723777 0.41808734867983 79.904 25 Br 0.99629546499125 0.10351259588350 0.43133982587415 79.904 26 Br 0.29624534744152 0.35973169030202 0.47028357280669 79.904 27 Br 0.70375465255848 0.64026830969798 0.52971642719331 79.904 28 Br 0.00370453500875 0.89648740411650 0.56866017412585 79.904 29 Br 0.51098875507196 0.89478806276223 0.58191265132017 79.904 30 Br 0.87199227765553 0.43088348461052 0.62018842289984 79.904 31 Br 0.49179013988833 0.24055553237408 0.69978686535584 79.904 32 Br 0.99838271369854 0.22521598788817 0.70649158000047 79.904 33 Br 0.29932365588157 0.54132737902939 0.71204384456506 79.904 34 Br 0.70067634411843 0.04132737902939 0.78795615543494 79.904 35 Br 0.00161728630146 0.72521598788817 0.79350841999953 79.904 36 Br 0.50820986011167 0.74055553237408 0.80021313464416 79.904 37 Br 0.12800772234447 0.93088348461052 0.87981157710016 79.904 38 Br 0.48901124492804 0.39478806276223 0.91808734867983 79.904 39 Br 0.99629546499125 0.39648740411650 0.93133982587415 79.904 40 Br 0.29624534744152 0.14026830969798 0.97028357280669 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.141036500012071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): *1 Ba 0.26514274841380 0.77953756286912 0.04682489651194 137.327 > 1 *2 Ba 0.26639651826541 0.44041361819373 0.17707593127368 137.327 > 2 3 Ba 0.73360348173459 0.94041361819373 0.32292406872632 137.327 > 3 4 Ba 0.73485725158620 0.27953756286912 0.45317510348806 137.327 > 4 5 Ba 0.26514274841380 0.72046243713088 0.54682489651194 137.327 > 5 6 Ba 0.26639651826541 0.05958638180627 0.67707593127368 137.327 > 6 7 Ba 0.73360348173459 0.55958638180627 0.82292406872632 137.327 > 7 8 Ba 0.73485725158620 0.22046243713088 0.95317510348806 137.327 > 8 *9 Y 0.21894820223032 0.12804650533682 0.21984550391695 88.906 > 9 10 Y 0.78105179776968 0.62804650533682 0.28015449608305 88.906 > 10 11 Y 0.21894820223032 0.37195349466318 0.71984550391695 88.906 > 11 12 Y 0.78105179776968 0.87195349466318 0.78015449608305 88.906 > 12 *13 Br 0.70375465255848 0.85973169030202 0.02971642719331 79.904 > 13 *14 Br 0.00370453500875 0.60351259588350 0.06866017412585 79.904 > 14 *15 Br 0.51098875507196 0.60521193723777 0.08191265132017 79.904 > 15 *16 Br 0.87199227765553 0.06911651538948 0.12018842289984 79.904 > 16 *17 Br 0.49179013988833 0.25944446762592 0.19978686535584 79.904 > 17 *18 Br 0.99838271369854 0.27478401211183 0.20649158000047 79.904 > 18 *19 Br 0.29932365588157 0.95867262097061 0.21204384456506 79.904 > 19 20 Br 0.70067634411843 0.45867262097061 0.28795615543494 79.904 > 20 21 Br 0.00161728630146 0.77478401211183 0.29350841999953 79.904 > 21 22 Br 0.50820986011167 0.75944446762592 0.30021313464416 79.904 > 22 23 Br 0.12800772234447 0.56911651538948 0.37981157710016 79.904 > 23 24 Br 0.48901124492804 0.10521193723777 0.41808734867983 79.904 > 24 25 Br 0.99629546499125 0.10351259588350 0.43133982587415 79.904 > 25 26 Br 0.29624534744152 0.35973169030202 0.47028357280669 79.904 > 26 27 Br 0.70375465255848 0.64026830969798 0.52971642719331 79.904 > 27 28 Br 0.00370453500875 0.89648740411650 0.56866017412585 79.904 > 28 29 Br 0.51098875507196 0.89478806276223 0.58191265132017 79.904 > 29 30 Br 0.87199227765553 0.43088348461052 0.62018842289984 79.904 > 30 31 Br 0.49179013988833 0.24055553237408 0.69978686535584 79.904 > 31 32 Br 0.99838271369854 0.22521598788817 0.70649158000047 79.904 > 32 33 Br 0.29932365588157 0.54132737902939 0.71204384456506 79.904 > 33 34 Br 0.70067634411843 0.04132737902939 0.78795615543494 79.904 > 34 35 Br 0.00161728630146 0.72521598788817 0.79350841999953 79.904 > 35 36 Br 0.50820986011167 0.74055553237408 0.80021313464416 79.904 > 36 37 Br 0.12800772234447 0.93088348461052 0.87981157710016 79.904 > 37 38 Br 0.48901124492804 0.39478806276223 0.91808734867983 79.904 > 38 39 Br 0.99629546499125 0.39648740411650 0.93133982587415 79.904 > 39 40 Br 0.29624534744152 0.14026830969798 0.97028357280669 79.904 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.282073000024141 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): *1 Ba 0.13257137420690 0.77953756286912 0.04682489651194 137.327 > 1 2 Ba 0.63257137420690 0.77953756286912 0.04682489651194 137.327 > 1 *3 Ba 0.13319825913270 0.44041361819373 0.17707593127368 137.327 > 2 4 Ba 0.63319825913270 0.44041361819373 0.17707593127368 137.327 > 2 5 Ba 0.36680174086730 0.94041361819373 0.32292406872632 137.327 > 3 6 Ba 0.86680174086730 0.94041361819373 0.32292406872632 137.327 > 3 7 Ba 0.36742862579310 0.27953756286912 0.45317510348806 137.327 > 4 8 Ba 0.86742862579310 0.27953756286912 0.45317510348806 137.327 > 4 9 Ba 0.13257137420690 0.72046243713088 0.54682489651194 137.327 > 5 10 Ba 0.63257137420690 0.72046243713088 0.54682489651194 137.327 > 5 11 Ba 0.13319825913270 0.05958638180627 0.67707593127368 137.327 > 6 12 Ba 0.63319825913270 0.05958638180627 0.67707593127368 137.327 > 6 13 Ba 0.36680174086730 0.55958638180627 0.82292406872632 137.327 > 7 14 Ba 0.86680174086730 0.55958638180627 0.82292406872632 137.327 > 7 15 Ba 0.36742862579310 0.22046243713088 0.95317510348806 137.327 > 8 16 Ba 0.86742862579310 0.22046243713088 0.95317510348806 137.327 > 8 *17 Y 0.10947410111516 0.12804650533682 0.21984550391695 88.906 > 9 18 Y 0.60947410111516 0.12804650533682 0.21984550391695 88.906 > 9 19 Y 0.39052589888484 0.62804650533682 0.28015449608305 88.906 > 10 20 Y 0.89052589888484 0.62804650533682 0.28015449608305 88.906 > 10 21 Y 0.10947410111516 0.37195349466318 0.71984550391695 88.906 > 11 22 Y 0.60947410111516 0.37195349466318 0.71984550391695 88.906 > 11 23 Y 0.39052589888484 0.87195349466318 0.78015449608305 88.906 > 12 24 Y 0.89052589888484 0.87195349466318 0.78015449608305 88.906 > 12 *25 Br 0.35187732627924 0.85973169030202 0.02971642719331 79.904 > 13 26 Br 0.85187732627924 0.85973169030202 0.02971642719331 79.904 > 13 *27 Br 0.00185226750437 0.60351259588350 0.06866017412585 79.904 > 14 28 Br 0.50185226750437 0.60351259588350 0.06866017412585 79.904 > 14 *29 Br 0.25549437753598 0.60521193723777 0.08191265132017 79.904 > 15 30 Br 0.75549437753598 0.60521193723777 0.08191265132017 79.904 > 15 *31 Br 0.43599613882777 0.06911651538948 0.12018842289984 79.904 > 16 32 Br 0.93599613882777 0.06911651538948 0.12018842289984 79.904 > 16 *33 Br 0.24589506994417 0.25944446762592 0.19978686535584 79.904 > 17 34 Br 0.74589506994417 0.25944446762592 0.19978686535584 79.904 > 17 *35 Br 0.49919135684927 0.27478401211183 0.20649158000047 79.904 > 18 36 Br 0.99919135684927 0.27478401211183 0.20649158000047 79.904 > 18 *37 Br 0.14966182794079 0.95867262097061 0.21204384456506 79.904 > 19 38 Br 0.64966182794079 0.95867262097061 0.21204384456506 79.904 > 19 39 Br 0.35033817205921 0.45867262097061 0.28795615543494 79.904 > 20 40 Br 0.85033817205921 0.45867262097061 0.28795615543494 79.904 > 20 41 Br 0.00080864315073 0.77478401211183 0.29350841999953 79.904 > 21 42 Br 0.50080864315073 0.77478401211183 0.29350841999953 79.904 > 21 43 Br 0.25410493005583 0.75944446762592 0.30021313464416 79.904 > 22 44 Br 0.75410493005583 0.75944446762592 0.30021313464416 79.904 > 22 45 Br 0.06400386117223 0.56911651538948 0.37981157710016 79.904 > 23 46 Br 0.56400386117223 0.56911651538948 0.37981157710016 79.904 > 23 47 Br 0.24450562246402 0.10521193723777 0.41808734867983 79.904 > 24 48 Br 0.74450562246402 0.10521193723777 0.41808734867983 79.904 > 24 49 Br 0.49814773249563 0.10351259588350 0.43133982587415 79.904 > 25 50 Br 0.99814773249563 0.10351259588350 0.43133982587415 79.904 > 25 51 Br 0.14812267372076 0.35973169030202 0.47028357280669 79.904 > 26 52 Br 0.64812267372076 0.35973169030202 0.47028357280669 79.904 > 26 53 Br 0.35187732627924 0.64026830969798 0.52971642719331 79.904 > 27 54 Br 0.85187732627924 0.64026830969798 0.52971642719331 79.904 > 27 55 Br 0.00185226750437 0.89648740411650 0.56866017412585 79.904 > 28 56 Br 0.50185226750437 0.89648740411650 0.56866017412585 79.904 > 28 57 Br 0.25549437753598 0.89478806276223 0.58191265132017 79.904 > 29 58 Br 0.75549437753598 0.89478806276223 0.58191265132017 79.904 > 29 59 Br 0.43599613882777 0.43088348461052 0.62018842289984 79.904 > 30 60 Br 0.93599613882777 0.43088348461052 0.62018842289984 79.904 > 30 61 Br 0.24589506994417 0.24055553237408 0.69978686535584 79.904 > 31 62 Br 0.74589506994417 0.24055553237408 0.69978686535584 79.904 > 31 63 Br 0.49919135684927 0.22521598788817 0.70649158000047 79.904 > 32 64 Br 0.99919135684927 0.22521598788817 0.70649158000047 79.904 > 32 65 Br 0.14966182794079 0.54132737902939 0.71204384456506 79.904 > 33 66 Br 0.64966182794079 0.54132737902939 0.71204384456506 79.904 > 33 67 Br 0.35033817205921 0.04132737902939 0.78795615543494 79.904 > 34 68 Br 0.85033817205921 0.04132737902939 0.78795615543494 79.904 > 34 69 Br 0.00080864315073 0.72521598788817 0.79350841999953 79.904 > 35 70 Br 0.50080864315073 0.72521598788817 0.79350841999953 79.904 > 35 71 Br 0.25410493005583 0.74055553237408 0.80021313464416 79.904 > 36 72 Br 0.75410493005583 0.74055553237408 0.80021313464416 79.904 > 36 73 Br 0.06400386117223 0.93088348461052 0.87981157710016 79.904 > 37 74 Br 0.56400386117223 0.93088348461052 0.87981157710016 79.904 > 37 75 Br 0.24450562246402 0.39478806276223 0.91808734867983 79.904 > 38 76 Br 0.74450562246402 0.39478806276223 0.91808734867983 79.904 > 38 77 Br 0.49814773249563 0.39648740411650 0.93133982587415 79.904 > 39 78 Br 0.99814773249563 0.39648740411650 0.93133982587415 79.904 > 39 79 Br 0.14812267372076 0.14026830969798 0.97028357280669 79.904 > 40 80 Br 0.64812267372076 0.14026830969798 0.97028357280669 79.904 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9677228 0.0000000 0.0441910 0.0000000 4.0347211 0.0000000 0.0441915 0.0000000 4.0193224 -------------------------- Born effective charges -------------------------- 1 Ba 2.8521880 -0.0853995 0.0999093 0.0063073 2.6693856 -0.1518671 0.0116755 -0.2641287 2.9497219 2 Ba 2.6415112 -0.0594706 -0.0276861 0.0248436 3.0324556 0.1104861 0.0572464 0.0329535 2.8175624 3 Ba 2.6415112 0.0594706 -0.0276861 -0.0248436 3.0324556 -0.1104861 0.0572464 -0.0329535 2.8175624 4 Ba 2.8521880 0.0853995 0.0999093 -0.0063073 2.6693856 0.1518671 0.0116755 0.2641287 2.9497219 5 Ba 2.8521880 0.0853995 0.0999093 -0.0063073 2.6693856 0.1518671 0.0116755 0.2641287 2.9497219 6 Ba 2.6415112 0.0594706 -0.0276861 -0.0248436 3.0324556 -0.1104861 0.0572464 -0.0329535 2.8175624 7 Ba 2.6415112 -0.0594706 -0.0276861 0.0248436 3.0324556 0.1104861 0.0572464 0.0329535 2.8175624 8 Ba 2.8521880 -0.0853995 0.0999093 0.0063073 2.6693856 -0.1518671 0.0116755 -0.2641287 2.9497219 9 Y 3.4782548 0.0148805 0.0247172 0.0800092 3.6833371 -0.2196730 0.0470152 -0.1548384 3.6178058 10 Y 3.4782548 -0.0148805 0.0247172 -0.0800092 3.6833371 0.2196730 0.0470152 0.1548384 3.6178058 11 Y 3.4782548 -0.0148805 0.0247172 -0.0800092 3.6833371 0.2196730 0.0470152 0.1548384 3.6178058 12 Y 3.4782548 0.0148805 0.0247172 0.0800092 3.6833371 -0.2196730 0.0470152 -0.1548384 3.6178058 13 Br -1.1478651 -0.1446712 0.2606854 -0.1562073 -0.7674406 -0.0361669 0.2589077 -0.0152518 -2.0869114 14 Br -1.2634597 -0.0199266 0.1685073 -0.0065192 -1.1255787 -0.0539835 0.2199675 -0.0882043 -1.5510068 15 Br -1.2955943 -0.0546615 -0.2271621 0.0033733 -1.2137641 -0.0050584 -0.2334997 -0.0088326 -1.4307856 16 Br -1.4555474 -0.2118403 -0.2716302 -0.2595126 -1.2062050 0.3807696 -0.2797147 0.3710364 -1.1297092 17 Br -1.3469533 -0.2471912 0.0503746 -0.2713293 -1.4045045 -0.0148504 0.0286353 -0.0732879 -1.2399928 18 Br -1.2855089 0.1500662 0.0615502 0.2067069 -1.5828658 -0.0011493 0.0384677 0.0021003 -1.1575961 19 Br -1.1770252 0.3124497 -0.1392656 0.2588636 -2.0848197 -0.1936133 -0.1487008 -0.2239199 -0.7890882 20 Br -1.1770252 -0.3124497 -0.1392656 -0.2588636 -2.0848197 0.1936133 -0.1487008 0.2239199 -0.7890882 21 Br -1.2855089 -0.1500662 0.0615502 -0.2067069 -1.5828658 0.0011493 0.0384677 -0.0021003 -1.1575961 22 Br -1.3469533 0.2471912 0.0503746 0.2713293 -1.4045045 0.0148504 0.0286353 0.0732879 -1.2399928 23 Br -1.4555474 0.2118403 -0.2716302 0.2595126 -1.2062050 -0.3807696 -0.2797147 -0.3710364 -1.1297092 24 Br -1.2955943 0.0546615 -0.2271621 -0.0033733 -1.2137641 0.0050584 -0.2334997 0.0088326 -1.4307856 25 Br -1.2634597 0.0199266 0.1685073 0.0065192 -1.1255787 0.0539835 0.2199675 0.0882043 -1.5510068 26 Br -1.1478651 0.1446712 0.2606854 0.1562073 -0.7674406 0.0361669 0.2589077 0.0152518 -2.0869114 27 Br -1.1478651 0.1446712 0.2606854 0.1562073 -0.7674406 0.0361669 0.2589077 0.0152518 -2.0869114 28 Br -1.2634597 0.0199266 0.1685073 0.0065192 -1.1255787 0.0539835 0.2199675 0.0882043 -1.5510068 29 Br -1.2955943 0.0546615 -0.2271621 -0.0033733 -1.2137641 0.0050584 -0.2334997 0.0088326 -1.4307856 30 Br -1.4555474 0.2118403 -0.2716302 0.2595126 -1.2062050 -0.3807696 -0.2797147 -0.3710364 -1.1297092 31 Br -1.3469533 0.2471912 0.0503746 0.2713293 -1.4045045 0.0148504 0.0286353 0.0732879 -1.2399928 32 Br -1.2855089 -0.1500662 0.0615502 -0.2067069 -1.5828658 0.0011493 0.0384677 -0.0021003 -1.1575961 33 Br -1.1770252 -0.3124497 -0.1392656 -0.2588636 -2.0848197 0.1936133 -0.1487008 0.2239199 -0.7890882 34 Br -1.1770252 0.3124497 -0.1392656 0.2588636 -2.0848197 -0.1936133 -0.1487008 -0.2239199 -0.7890882 35 Br -1.2855089 0.1500662 0.0615502 0.2067069 -1.5828658 -0.0011493 0.0384677 0.0021003 -1.1575961 36 Br -1.3469533 -0.2471912 0.0503746 -0.2713293 -1.4045045 -0.0148504 0.0286353 -0.0732879 -1.2399928 37 Br -1.4555474 -0.2118403 -0.2716302 -0.2595126 -1.2062050 0.3807696 -0.2797147 0.3710364 -1.1297092 38 Br -1.2955943 -0.0546615 -0.2271621 0.0033733 -1.2137641 -0.0050584 -0.2334997 -0.0088326 -1.4307856 39 Br -1.2634597 -0.0199266 0.1685073 -0.0065192 -1.1255787 -0.0539835 0.2199675 -0.0882043 -1.5510068 40 Br -1.1478651 -0.1446712 0.2606854 -0.1562073 -0.7674406 -0.0361669 0.2589077 -0.0152518 -2.0869114 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.771 Solver_block: 200 / 1200 - Time: 0.653 Solver_block: 300 / 1200 - Time: 0.667 Solver_block: 400 / 1200 - Time: 0.671 Solver_block: 500 / 1200 - Time: 0.661 Solver_block: 600 / 1200 - Time: 0.670 Solver_block: 700 / 1200 - Time: 0.670 Solver_block: 800 / 1200 - Time: 0.669 Solver_block: 900 / 1200 - Time: 0.672 Solver_block: 1000 / 1200 - Time: 0.669 Solver_block: 1100 / 1200 - Time: 0.670 Solver_block: 1200 / 1200 - Time: 0.666 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.284 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:46:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:46:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.141036500012071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): 1 Ba 0.26514274841380 0.77953756286912 0.04682489651194 137.327 2 Ba 0.26639651826541 0.44041361819373 0.17707593127368 137.327 3 Ba 0.73360348173459 0.94041361819373 0.32292406872632 137.327 4 Ba 0.73485725158620 0.27953756286912 0.45317510348806 137.327 5 Ba 0.26514274841380 0.72046243713088 0.54682489651194 137.327 6 Ba 0.26639651826541 0.05958638180627 0.67707593127368 137.327 7 Ba 0.73360348173459 0.55958638180627 0.82292406872632 137.327 8 Ba 0.73485725158620 0.22046243713088 0.95317510348806 137.327 9 Y 0.21894820223032 0.12804650533682 0.21984550391695 88.906 10 Y 0.78105179776968 0.62804650533682 0.28015449608305 88.906 11 Y 0.21894820223032 0.37195349466318 0.71984550391695 88.906 12 Y 0.78105179776968 0.87195349466318 0.78015449608305 88.906 13 Br 0.70375465255848 0.85973169030202 0.02971642719331 79.904 14 Br 0.00370453500875 0.60351259588350 0.06866017412585 79.904 15 Br 0.51098875507196 0.60521193723777 0.08191265132017 79.904 16 Br 0.87199227765553 0.06911651538948 0.12018842289984 79.904 17 Br 0.49179013988833 0.25944446762592 0.19978686535584 79.904 18 Br 0.99838271369854 0.27478401211183 0.20649158000047 79.904 19 Br 0.29932365588157 0.95867262097061 0.21204384456506 79.904 20 Br 0.70067634411843 0.45867262097061 0.28795615543494 79.904 21 Br 0.00161728630146 0.77478401211183 0.29350841999953 79.904 22 Br 0.50820986011167 0.75944446762592 0.30021313464416 79.904 23 Br 0.12800772234447 0.56911651538948 0.37981157710016 79.904 24 Br 0.48901124492804 0.10521193723777 0.41808734867983 79.904 25 Br 0.99629546499125 0.10351259588350 0.43133982587415 79.904 26 Br 0.29624534744152 0.35973169030202 0.47028357280669 79.904 27 Br 0.70375465255848 0.64026830969798 0.52971642719331 79.904 28 Br 0.00370453500875 0.89648740411650 0.56866017412585 79.904 29 Br 0.51098875507196 0.89478806276223 0.58191265132017 79.904 30 Br 0.87199227765553 0.43088348461052 0.62018842289984 79.904 31 Br 0.49179013988833 0.24055553237408 0.69978686535584 79.904 32 Br 0.99838271369854 0.22521598788817 0.70649158000047 79.904 33 Br 0.29932365588157 0.54132737902939 0.71204384456506 79.904 34 Br 0.70067634411843 0.04132737902939 0.78795615543494 79.904 35 Br 0.00161728630146 0.72521598788817 0.79350841999953 79.904 36 Br 0.50820986011167 0.74055553237408 0.80021313464416 79.904 37 Br 0.12800772234447 0.93088348461052 0.87981157710016 79.904 38 Br 0.48901124492804 0.39478806276223 0.91808734867983 79.904 39 Br 0.99629546499125 0.39648740411650 0.93133982587415 79.904 40 Br 0.29624534744152 0.14026830969798 0.97028357280669 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.282073000024141 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): 1 Ba 0.13257137420690 0.77953756286912 0.04682489651194 137.327 > 1 2 Ba 0.63257137420690 0.77953756286912 0.04682489651194 137.327 > 1 3 Ba 0.13319825913270 0.44041361819373 0.17707593127368 137.327 > 3 4 Ba 0.63319825913270 0.44041361819373 0.17707593127368 137.327 > 3 5 Ba 0.36680174086730 0.94041361819373 0.32292406872632 137.327 > 5 6 Ba 0.86680174086730 0.94041361819373 0.32292406872632 137.327 > 5 7 Ba 0.36742862579310 0.27953756286912 0.45317510348806 137.327 > 7 8 Ba 0.86742862579310 0.27953756286912 0.45317510348806 137.327 > 7 9 Ba 0.13257137420690 0.72046243713088 0.54682489651194 137.327 > 9 10 Ba 0.63257137420690 0.72046243713088 0.54682489651194 137.327 > 9 11 Ba 0.13319825913270 0.05958638180627 0.67707593127368 137.327 > 11 12 Ba 0.63319825913270 0.05958638180627 0.67707593127368 137.327 > 11 13 Ba 0.36680174086730 0.55958638180627 0.82292406872632 137.327 > 13 14 Ba 0.86680174086730 0.55958638180627 0.82292406872632 137.327 > 13 15 Ba 0.36742862579310 0.22046243713088 0.95317510348806 137.327 > 15 16 Ba 0.86742862579310 0.22046243713088 0.95317510348806 137.327 > 15 17 Y 0.10947410111516 0.12804650533682 0.21984550391695 88.906 > 17 18 Y 0.60947410111516 0.12804650533682 0.21984550391695 88.906 > 17 19 Y 0.39052589888484 0.62804650533682 0.28015449608305 88.906 > 19 20 Y 0.89052589888484 0.62804650533682 0.28015449608305 88.906 > 19 21 Y 0.10947410111516 0.37195349466318 0.71984550391695 88.906 > 21 22 Y 0.60947410111516 0.37195349466318 0.71984550391695 88.906 > 21 23 Y 0.39052589888484 0.87195349466318 0.78015449608305 88.906 > 23 24 Y 0.89052589888484 0.87195349466318 0.78015449608305 88.906 > 23 25 Br 0.35187732627924 0.85973169030202 0.02971642719331 79.904 > 25 26 Br 0.85187732627924 0.85973169030202 0.02971642719331 79.904 > 25 27 Br 0.00185226750437 0.60351259588350 0.06866017412585 79.904 > 27 28 Br 0.50185226750437 0.60351259588350 0.06866017412585 79.904 > 27 29 Br 0.25549437753598 0.60521193723777 0.08191265132017 79.904 > 29 30 Br 0.75549437753598 0.60521193723777 0.08191265132017 79.904 > 29 31 Br 0.43599613882777 0.06911651538948 0.12018842289984 79.904 > 31 32 Br 0.93599613882777 0.06911651538948 0.12018842289984 79.904 > 31 33 Br 0.24589506994417 0.25944446762592 0.19978686535584 79.904 > 33 34 Br 0.74589506994417 0.25944446762592 0.19978686535584 79.904 > 33 35 Br 0.49919135684927 0.27478401211183 0.20649158000047 79.904 > 35 36 Br 0.99919135684927 0.27478401211183 0.20649158000047 79.904 > 35 37 Br 0.14966182794079 0.95867262097061 0.21204384456506 79.904 > 37 38 Br 0.64966182794079 0.95867262097061 0.21204384456506 79.904 > 37 39 Br 0.35033817205921 0.45867262097061 0.28795615543494 79.904 > 39 40 Br 0.85033817205921 0.45867262097061 0.28795615543494 79.904 > 39 41 Br 0.00080864315073 0.77478401211183 0.29350841999953 79.904 > 41 42 Br 0.50080864315073 0.77478401211183 0.29350841999953 79.904 > 41 43 Br 0.25410493005583 0.75944446762592 0.30021313464416 79.904 > 43 44 Br 0.75410493005583 0.75944446762592 0.30021313464416 79.904 > 43 45 Br 0.06400386117223 0.56911651538948 0.37981157710016 79.904 > 45 46 Br 0.56400386117223 0.56911651538948 0.37981157710016 79.904 > 45 47 Br 0.24450562246402 0.10521193723777 0.41808734867983 79.904 > 47 48 Br 0.74450562246402 0.10521193723777 0.41808734867983 79.904 > 47 49 Br 0.49814773249563 0.10351259588350 0.43133982587415 79.904 > 49 50 Br 0.99814773249563 0.10351259588350 0.43133982587415 79.904 > 49 51 Br 0.14812267372076 0.35973169030202 0.47028357280669 79.904 > 51 52 Br 0.64812267372076 0.35973169030202 0.47028357280669 79.904 > 51 53 Br 0.35187732627924 0.64026830969798 0.52971642719331 79.904 > 53 54 Br 0.85187732627924 0.64026830969798 0.52971642719331 79.904 > 53 55 Br 0.00185226750437 0.89648740411650 0.56866017412585 79.904 > 55 56 Br 0.50185226750437 0.89648740411650 0.56866017412585 79.904 > 55 57 Br 0.25549437753598 0.89478806276223 0.58191265132017 79.904 > 57 58 Br 0.75549437753598 0.89478806276223 0.58191265132017 79.904 > 57 59 Br 0.43599613882777 0.43088348461052 0.62018842289984 79.904 > 59 60 Br 0.93599613882777 0.43088348461052 0.62018842289984 79.904 > 59 61 Br 0.24589506994417 0.24055553237408 0.69978686535584 79.904 > 61 62 Br 0.74589506994417 0.24055553237408 0.69978686535584 79.904 > 61 63 Br 0.49919135684927 0.22521598788817 0.70649158000047 79.904 > 63 64 Br 0.99919135684927 0.22521598788817 0.70649158000047 79.904 > 63 65 Br 0.14966182794079 0.54132737902939 0.71204384456506 79.904 > 65 66 Br 0.64966182794079 0.54132737902939 0.71204384456506 79.904 > 65 67 Br 0.35033817205921 0.04132737902939 0.78795615543494 79.904 > 67 68 Br 0.85033817205921 0.04132737902939 0.78795615543494 79.904 > 67 69 Br 0.00080864315073 0.72521598788817 0.79350841999953 79.904 > 69 70 Br 0.50080864315073 0.72521598788817 0.79350841999953 79.904 > 69 71 Br 0.25410493005583 0.74055553237408 0.80021313464416 79.904 > 71 72 Br 0.75410493005583 0.74055553237408 0.80021313464416 79.904 > 71 73 Br 0.06400386117223 0.93088348461052 0.87981157710016 79.904 > 73 74 Br 0.56400386117223 0.93088348461052 0.87981157710016 79.904 > 73 75 Br 0.24450562246402 0.39478806276223 0.91808734867983 79.904 > 75 76 Br 0.74450562246402 0.39478806276223 0.91808734867983 79.904 > 75 77 Br 0.49814773249563 0.39648740411650 0.93133982587415 79.904 > 77 78 Br 0.99814773249563 0.39648740411650 0.93133982587415 79.904 > 77 79 Br 0.14812267372076 0.14026830969798 0.97028357280669 79.904 > 79 80 Br 0.64812267372076 0.14026830969798 0.97028357280669 79.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9677228 0.0000000 0.0441910 0.0000000 4.0347211 0.0000000 0.0441915 0.0000000 4.0193224 -------------------------- Born effective charges -------------------------- 1 Ba 2.8521880 -0.0853995 0.0999093 0.0063073 2.6693856 -0.1518671 0.0116755 -0.2641287 2.9497219 2 Ba 2.6415112 -0.0594706 -0.0276861 0.0248436 3.0324556 0.1104861 0.0572464 0.0329535 2.8175624 3 Ba 2.6415112 0.0594706 -0.0276861 -0.0248436 3.0324556 -0.1104861 0.0572464 -0.0329535 2.8175624 4 Ba 2.8521880 0.0853995 0.0999093 -0.0063073 2.6693856 0.1518671 0.0116755 0.2641287 2.9497219 5 Ba 2.8521880 0.0853995 0.0999093 -0.0063073 2.6693856 0.1518671 0.0116755 0.2641287 2.9497219 6 Ba 2.6415112 0.0594706 -0.0276861 -0.0248436 3.0324556 -0.1104861 0.0572464 -0.0329535 2.8175624 7 Ba 2.6415112 -0.0594706 -0.0276861 0.0248436 3.0324556 0.1104861 0.0572464 0.0329535 2.8175624 8 Ba 2.8521880 -0.0853995 0.0999093 0.0063073 2.6693856 -0.1518671 0.0116755 -0.2641287 2.9497219 9 Y 3.4782548 0.0148805 0.0247172 0.0800092 3.6833371 -0.2196730 0.0470152 -0.1548384 3.6178058 10 Y 3.4782548 -0.0148805 0.0247172 -0.0800092 3.6833371 0.2196730 0.0470152 0.1548384 3.6178058 11 Y 3.4782548 -0.0148805 0.0247172 -0.0800092 3.6833371 0.2196730 0.0470152 0.1548384 3.6178058 12 Y 3.4782548 0.0148805 0.0247172 0.0800092 3.6833371 -0.2196730 0.0470152 -0.1548384 3.6178058 13 Br -1.1478651 -0.1446712 0.2606854 -0.1562073 -0.7674406 -0.0361669 0.2589077 -0.0152518 -2.0869114 14 Br -1.2634597 -0.0199266 0.1685073 -0.0065192 -1.1255787 -0.0539835 0.2199675 -0.0882043 -1.5510068 15 Br -1.2955943 -0.0546615 -0.2271621 0.0033733 -1.2137641 -0.0050584 -0.2334997 -0.0088326 -1.4307856 16 Br -1.4555474 -0.2118403 -0.2716302 -0.2595126 -1.2062050 0.3807696 -0.2797147 0.3710364 -1.1297092 17 Br -1.3469533 -0.2471912 0.0503746 -0.2713293 -1.4045045 -0.0148504 0.0286353 -0.0732879 -1.2399928 18 Br -1.2855089 0.1500662 0.0615502 0.2067069 -1.5828658 -0.0011493 0.0384677 0.0021003 -1.1575961 19 Br -1.1770252 0.3124497 -0.1392656 0.2588636 -2.0848197 -0.1936133 -0.1487008 -0.2239199 -0.7890882 20 Br -1.1770252 -0.3124497 -0.1392656 -0.2588636 -2.0848197 0.1936133 -0.1487008 0.2239199 -0.7890882 21 Br -1.2855089 -0.1500662 0.0615502 -0.2067069 -1.5828658 0.0011493 0.0384677 -0.0021003 -1.1575961 22 Br -1.3469533 0.2471912 0.0503746 0.2713293 -1.4045045 0.0148504 0.0286353 0.0732879 -1.2399928 23 Br -1.4555474 0.2118403 -0.2716302 0.2595126 -1.2062050 -0.3807696 -0.2797147 -0.3710364 -1.1297092 24 Br -1.2955943 0.0546615 -0.2271621 -0.0033733 -1.2137641 0.0050584 -0.2334997 0.0088326 -1.4307856 25 Br -1.2634597 0.0199266 0.1685073 0.0065192 -1.1255787 0.0539835 0.2199675 0.0882043 -1.5510068 26 Br -1.1478651 0.1446712 0.2606854 0.1562073 -0.7674406 0.0361669 0.2589077 0.0152518 -2.0869114 27 Br -1.1478651 0.1446712 0.2606854 0.1562073 -0.7674406 0.0361669 0.2589077 0.0152518 -2.0869114 28 Br -1.2634597 0.0199266 0.1685073 0.0065192 -1.1255787 0.0539835 0.2199675 0.0882043 -1.5510068 29 Br -1.2955943 0.0546615 -0.2271621 -0.0033733 -1.2137641 0.0050584 -0.2334997 0.0088326 -1.4307856 30 Br -1.4555474 0.2118403 -0.2716302 0.2595126 -1.2062050 -0.3807696 -0.2797147 -0.3710364 -1.1297092 31 Br -1.3469533 0.2471912 0.0503746 0.2713293 -1.4045045 0.0148504 0.0286353 0.0732879 -1.2399928 32 Br -1.2855089 -0.1500662 0.0615502 -0.2067069 -1.5828658 0.0011493 0.0384677 -0.0021003 -1.1575961 33 Br -1.1770252 -0.3124497 -0.1392656 -0.2588636 -2.0848197 0.1936133 -0.1487008 0.2239199 -0.7890882 34 Br -1.1770252 0.3124497 -0.1392656 0.2588636 -2.0848197 -0.1936133 -0.1487008 -0.2239199 -0.7890882 35 Br -1.2855089 0.1500662 0.0615502 0.2067069 -1.5828658 -0.0011493 0.0384677 0.0021003 -1.1575961 36 Br -1.3469533 -0.2471912 0.0503746 -0.2713293 -1.4045045 -0.0148504 0.0286353 -0.0732879 -1.2399928 37 Br -1.4555474 -0.2118403 -0.2716302 -0.2595126 -1.2062050 0.3807696 -0.2797147 0.3710364 -1.1297092 38 Br -1.2955943 -0.0546615 -0.2271621 0.0033733 -1.2137641 -0.0050584 -0.2334997 -0.0088326 -1.4307856 39 Br -1.2634597 -0.0199266 0.1685073 -0.0065192 -1.1255787 -0.0539835 0.2199675 -0.0882043 -1.5510068 40 Br -1.1478651 -0.1446712 0.2606854 -0.1562073 -0.7674406 -0.0361669 0.2589077 -0.0152518 -2.0869114 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 3, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 27, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 35, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:47:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:47:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.141036500012071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): 1 Ba 0.26514274841380 0.77953756286912 0.04682489651194 137.327 2 Ba 0.26639651826541 0.44041361819373 0.17707593127368 137.327 3 Ba 0.73360348173459 0.94041361819373 0.32292406872632 137.327 4 Ba 0.73485725158620 0.27953756286912 0.45317510348806 137.327 5 Ba 0.26514274841380 0.72046243713088 0.54682489651194 137.327 6 Ba 0.26639651826541 0.05958638180627 0.67707593127368 137.327 7 Ba 0.73360348173459 0.55958638180627 0.82292406872632 137.327 8 Ba 0.73485725158620 0.22046243713088 0.95317510348806 137.327 9 Y 0.21894820223032 0.12804650533682 0.21984550391695 88.906 10 Y 0.78105179776968 0.62804650533682 0.28015449608305 88.906 11 Y 0.21894820223032 0.37195349466318 0.71984550391695 88.906 12 Y 0.78105179776968 0.87195349466318 0.78015449608305 88.906 13 Br 0.70375465255848 0.85973169030202 0.02971642719331 79.904 14 Br 0.00370453500875 0.60351259588350 0.06866017412585 79.904 15 Br 0.51098875507196 0.60521193723777 0.08191265132017 79.904 16 Br 0.87199227765553 0.06911651538948 0.12018842289984 79.904 17 Br 0.49179013988833 0.25944446762592 0.19978686535584 79.904 18 Br 0.99838271369854 0.27478401211183 0.20649158000047 79.904 19 Br 0.29932365588157 0.95867262097061 0.21204384456506 79.904 20 Br 0.70067634411843 0.45867262097061 0.28795615543494 79.904 21 Br 0.00161728630146 0.77478401211183 0.29350841999953 79.904 22 Br 0.50820986011167 0.75944446762592 0.30021313464416 79.904 23 Br 0.12800772234447 0.56911651538948 0.37981157710016 79.904 24 Br 0.48901124492804 0.10521193723777 0.41808734867983 79.904 25 Br 0.99629546499125 0.10351259588350 0.43133982587415 79.904 26 Br 0.29624534744152 0.35973169030202 0.47028357280669 79.904 27 Br 0.70375465255848 0.64026830969798 0.52971642719331 79.904 28 Br 0.00370453500875 0.89648740411650 0.56866017412585 79.904 29 Br 0.51098875507196 0.89478806276223 0.58191265132017 79.904 30 Br 0.87199227765553 0.43088348461052 0.62018842289984 79.904 31 Br 0.49179013988833 0.24055553237408 0.69978686535584 79.904 32 Br 0.99838271369854 0.22521598788817 0.70649158000047 79.904 33 Br 0.29932365588157 0.54132737902939 0.71204384456506 79.904 34 Br 0.70067634411843 0.04132737902939 0.78795615543494 79.904 35 Br 0.00161728630146 0.72521598788817 0.79350841999953 79.904 36 Br 0.50820986011167 0.74055553237408 0.80021313464416 79.904 37 Br 0.12800772234447 0.93088348461052 0.87981157710016 79.904 38 Br 0.48901124492804 0.39478806276223 0.91808734867983 79.904 39 Br 0.99629546499125 0.39648740411650 0.93133982587415 79.904 40 Br 0.29624534744152 0.14026830969798 0.97028357280669 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.282073000024141 0.000000000000000 0.000000000000000 b 0.000000000000000 16.220490370000004 0.000000000000000 c -0.129365270454316 0.000000000000000 11.008211842158738 Atomic positions (fractional): 1 Ba 0.13257137420690 0.77953756286912 0.04682489651194 137.327 > 1 2 Ba 0.63257137420690 0.77953756286912 0.04682489651194 137.327 > 1 3 Ba 0.13319825913270 0.44041361819373 0.17707593127368 137.327 > 3 4 Ba 0.63319825913270 0.44041361819373 0.17707593127368 137.327 > 3 5 Ba 0.36680174086730 0.94041361819373 0.32292406872632 137.327 > 5 6 Ba 0.86680174086730 0.94041361819373 0.32292406872632 137.327 > 5 7 Ba 0.36742862579310 0.27953756286912 0.45317510348806 137.327 > 7 8 Ba 0.86742862579310 0.27953756286912 0.45317510348806 137.327 > 7 9 Ba 0.13257137420690 0.72046243713088 0.54682489651194 137.327 > 9 10 Ba 0.63257137420690 0.72046243713088 0.54682489651194 137.327 > 9 11 Ba 0.13319825913270 0.05958638180627 0.67707593127368 137.327 > 11 12 Ba 0.63319825913270 0.05958638180627 0.67707593127368 137.327 > 11 13 Ba 0.36680174086730 0.55958638180627 0.82292406872632 137.327 > 13 14 Ba 0.86680174086730 0.55958638180627 0.82292406872632 137.327 > 13 15 Ba 0.36742862579310 0.22046243713088 0.95317510348806 137.327 > 15 16 Ba 0.86742862579310 0.22046243713088 0.95317510348806 137.327 > 15 17 Y 0.10947410111516 0.12804650533682 0.21984550391695 88.906 > 17 18 Y 0.60947410111516 0.12804650533682 0.21984550391695 88.906 > 17 19 Y 0.39052589888484 0.62804650533682 0.28015449608305 88.906 > 19 20 Y 0.89052589888484 0.62804650533682 0.28015449608305 88.906 > 19 21 Y 0.10947410111516 0.37195349466318 0.71984550391695 88.906 > 21 22 Y 0.60947410111516 0.37195349466318 0.71984550391695 88.906 > 21 23 Y 0.39052589888484 0.87195349466318 0.78015449608305 88.906 > 23 24 Y 0.89052589888484 0.87195349466318 0.78015449608305 88.906 > 23 25 Br 0.35187732627924 0.85973169030202 0.02971642719331 79.904 > 25 26 Br 0.85187732627924 0.85973169030202 0.02971642719331 79.904 > 25 27 Br 0.00185226750437 0.60351259588350 0.06866017412585 79.904 > 27 28 Br 0.50185226750437 0.60351259588350 0.06866017412585 79.904 > 27 29 Br 0.25549437753598 0.60521193723777 0.08191265132017 79.904 > 29 30 Br 0.75549437753598 0.60521193723777 0.08191265132017 79.904 > 29 31 Br 0.43599613882777 0.06911651538948 0.12018842289984 79.904 > 31 32 Br 0.93599613882777 0.06911651538948 0.12018842289984 79.904 > 31 33 Br 0.24589506994417 0.25944446762592 0.19978686535584 79.904 > 33 34 Br 0.74589506994417 0.25944446762592 0.19978686535584 79.904 > 33 35 Br 0.49919135684927 0.27478401211183 0.20649158000047 79.904 > 35 36 Br 0.99919135684927 0.27478401211183 0.20649158000047 79.904 > 35 37 Br 0.14966182794079 0.95867262097061 0.21204384456506 79.904 > 37 38 Br 0.64966182794079 0.95867262097061 0.21204384456506 79.904 > 37 39 Br 0.35033817205921 0.45867262097061 0.28795615543494 79.904 > 39 40 Br 0.85033817205921 0.45867262097061 0.28795615543494 79.904 > 39 41 Br 0.00080864315073 0.77478401211183 0.29350841999953 79.904 > 41 42 Br 0.50080864315073 0.77478401211183 0.29350841999953 79.904 > 41 43 Br 0.25410493005583 0.75944446762592 0.30021313464416 79.904 > 43 44 Br 0.75410493005583 0.75944446762592 0.30021313464416 79.904 > 43 45 Br 0.06400386117223 0.56911651538948 0.37981157710016 79.904 > 45 46 Br 0.56400386117223 0.56911651538948 0.37981157710016 79.904 > 45 47 Br 0.24450562246402 0.10521193723777 0.41808734867983 79.904 > 47 48 Br 0.74450562246402 0.10521193723777 0.41808734867983 79.904 > 47 49 Br 0.49814773249563 0.10351259588350 0.43133982587415 79.904 > 49 50 Br 0.99814773249563 0.10351259588350 0.43133982587415 79.904 > 49 51 Br 0.14812267372076 0.35973169030202 0.47028357280669 79.904 > 51 52 Br 0.64812267372076 0.35973169030202 0.47028357280669 79.904 > 51 53 Br 0.35187732627924 0.64026830969798 0.52971642719331 79.904 > 53 54 Br 0.85187732627924 0.64026830969798 0.52971642719331 79.904 > 53 55 Br 0.00185226750437 0.89648740411650 0.56866017412585 79.904 > 55 56 Br 0.50185226750437 0.89648740411650 0.56866017412585 79.904 > 55 57 Br 0.25549437753598 0.89478806276223 0.58191265132017 79.904 > 57 58 Br 0.75549437753598 0.89478806276223 0.58191265132017 79.904 > 57 59 Br 0.43599613882777 0.43088348461052 0.62018842289984 79.904 > 59 60 Br 0.93599613882777 0.43088348461052 0.62018842289984 79.904 > 59 61 Br 0.24589506994417 0.24055553237408 0.69978686535584 79.904 > 61 62 Br 0.74589506994417 0.24055553237408 0.69978686535584 79.904 > 61 63 Br 0.49919135684927 0.22521598788817 0.70649158000047 79.904 > 63 64 Br 0.99919135684927 0.22521598788817 0.70649158000047 79.904 > 63 65 Br 0.14966182794079 0.54132737902939 0.71204384456506 79.904 > 65 66 Br 0.64966182794079 0.54132737902939 0.71204384456506 79.904 > 65 67 Br 0.35033817205921 0.04132737902939 0.78795615543494 79.904 > 67 68 Br 0.85033817205921 0.04132737902939 0.78795615543494 79.904 > 67 69 Br 0.00080864315073 0.72521598788817 0.79350841999953 79.904 > 69 70 Br 0.50080864315073 0.72521598788817 0.79350841999953 79.904 > 69 71 Br 0.25410493005583 0.74055553237408 0.80021313464416 79.904 > 71 72 Br 0.75410493005583 0.74055553237408 0.80021313464416 79.904 > 71 73 Br 0.06400386117223 0.93088348461052 0.87981157710016 79.904 > 73 74 Br 0.56400386117223 0.93088348461052 0.87981157710016 79.904 > 73 75 Br 0.24450562246402 0.39478806276223 0.91808734867983 79.904 > 75 76 Br 0.74450562246402 0.39478806276223 0.91808734867983 79.904 > 75 77 Br 0.49814773249563 0.39648740411650 0.93133982587415 79.904 > 77 78 Br 0.99814773249563 0.39648740411650 0.93133982587415 79.904 > 77 79 Br 0.14812267372076 0.14026830969798 0.97028357280669 79.904 > 79 80 Br 0.64812267372076 0.14026830969798 0.97028357280669 79.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9677228 0.0000000 0.0441910 0.0000000 4.0347211 0.0000000 0.0441915 0.0000000 4.0193224 -------------------------- Born effective charges -------------------------- 1 Ba 2.8521880 -0.0853995 0.0999093 0.0063073 2.6693856 -0.1518671 0.0116755 -0.2641287 2.9497219 2 Ba 2.6415112 -0.0594706 -0.0276861 0.0248436 3.0324556 0.1104861 0.0572464 0.0329535 2.8175624 3 Ba 2.6415112 0.0594706 -0.0276861 -0.0248436 3.0324556 -0.1104861 0.0572464 -0.0329535 2.8175624 4 Ba 2.8521880 0.0853995 0.0999093 -0.0063073 2.6693856 0.1518671 0.0116755 0.2641287 2.9497219 5 Ba 2.8521880 0.0853995 0.0999093 -0.0063073 2.6693856 0.1518671 0.0116755 0.2641287 2.9497219 6 Ba 2.6415112 0.0594706 -0.0276861 -0.0248436 3.0324556 -0.1104861 0.0572464 -0.0329535 2.8175624 7 Ba 2.6415112 -0.0594706 -0.0276861 0.0248436 3.0324556 0.1104861 0.0572464 0.0329535 2.8175624 8 Ba 2.8521880 -0.0853995 0.0999093 0.0063073 2.6693856 -0.1518671 0.0116755 -0.2641287 2.9497219 9 Y 3.4782548 0.0148805 0.0247172 0.0800092 3.6833371 -0.2196730 0.0470152 -0.1548384 3.6178058 10 Y 3.4782548 -0.0148805 0.0247172 -0.0800092 3.6833371 0.2196730 0.0470152 0.1548384 3.6178058 11 Y 3.4782548 -0.0148805 0.0247172 -0.0800092 3.6833371 0.2196730 0.0470152 0.1548384 3.6178058 12 Y 3.4782548 0.0148805 0.0247172 0.0800092 3.6833371 -0.2196730 0.0470152 -0.1548384 3.6178058 13 Br -1.1478651 -0.1446712 0.2606854 -0.1562073 -0.7674406 -0.0361669 0.2589077 -0.0152518 -2.0869114 14 Br -1.2634597 -0.0199266 0.1685073 -0.0065192 -1.1255787 -0.0539835 0.2199675 -0.0882043 -1.5510068 15 Br -1.2955943 -0.0546615 -0.2271621 0.0033733 -1.2137641 -0.0050584 -0.2334997 -0.0088326 -1.4307856 16 Br -1.4555474 -0.2118403 -0.2716302 -0.2595126 -1.2062050 0.3807696 -0.2797147 0.3710364 -1.1297092 17 Br -1.3469533 -0.2471912 0.0503746 -0.2713293 -1.4045045 -0.0148504 0.0286353 -0.0732879 -1.2399928 18 Br -1.2855089 0.1500662 0.0615502 0.2067069 -1.5828658 -0.0011493 0.0384677 0.0021003 -1.1575961 19 Br -1.1770252 0.3124497 -0.1392656 0.2588636 -2.0848197 -0.1936133 -0.1487008 -0.2239199 -0.7890882 20 Br -1.1770252 -0.3124497 -0.1392656 -0.2588636 -2.0848197 0.1936133 -0.1487008 0.2239199 -0.7890882 21 Br -1.2855089 -0.1500662 0.0615502 -0.2067069 -1.5828658 0.0011493 0.0384677 -0.0021003 -1.1575961 22 Br -1.3469533 0.2471912 0.0503746 0.2713293 -1.4045045 0.0148504 0.0286353 0.0732879 -1.2399928 23 Br -1.4555474 0.2118403 -0.2716302 0.2595126 -1.2062050 -0.3807696 -0.2797147 -0.3710364 -1.1297092 24 Br -1.2955943 0.0546615 -0.2271621 -0.0033733 -1.2137641 0.0050584 -0.2334997 0.0088326 -1.4307856 25 Br -1.2634597 0.0199266 0.1685073 0.0065192 -1.1255787 0.0539835 0.2199675 0.0882043 -1.5510068 26 Br -1.1478651 0.1446712 0.2606854 0.1562073 -0.7674406 0.0361669 0.2589077 0.0152518 -2.0869114 27 Br -1.1478651 0.1446712 0.2606854 0.1562073 -0.7674406 0.0361669 0.2589077 0.0152518 -2.0869114 28 Br -1.2634597 0.0199266 0.1685073 0.0065192 -1.1255787 0.0539835 0.2199675 0.0882043 -1.5510068 29 Br -1.2955943 0.0546615 -0.2271621 -0.0033733 -1.2137641 0.0050584 -0.2334997 0.0088326 -1.4307856 30 Br -1.4555474 0.2118403 -0.2716302 0.2595126 -1.2062050 -0.3807696 -0.2797147 -0.3710364 -1.1297092 31 Br -1.3469533 0.2471912 0.0503746 0.2713293 -1.4045045 0.0148504 0.0286353 0.0732879 -1.2399928 32 Br -1.2855089 -0.1500662 0.0615502 -0.2067069 -1.5828658 0.0011493 0.0384677 -0.0021003 -1.1575961 33 Br -1.1770252 -0.3124497 -0.1392656 -0.2588636 -2.0848197 0.1936133 -0.1487008 0.2239199 -0.7890882 34 Br -1.1770252 0.3124497 -0.1392656 0.2588636 -2.0848197 -0.1936133 -0.1487008 -0.2239199 -0.7890882 35 Br -1.2855089 0.1500662 0.0615502 0.2067069 -1.5828658 -0.0011493 0.0384677 0.0021003 -1.1575961 36 Br -1.3469533 -0.2471912 0.0503746 -0.2713293 -1.4045045 -0.0148504 0.0286353 -0.0732879 -1.2399928 37 Br -1.4555474 -0.2118403 -0.2716302 -0.2595126 -1.2062050 0.3807696 -0.2797147 0.3710364 -1.1297092 38 Br -1.2955943 -0.0546615 -0.2271621 0.0033733 -1.2137641 -0.0050584 -0.2334997 -0.0088326 -1.4307856 39 Br -1.2634597 -0.0199266 0.1685073 -0.0065192 -1.1255787 -0.0539835 0.2199675 -0.0882043 -1.5510068 40 Br -1.1478651 -0.1446712 0.2606854 -0.1562073 -0.7674406 -0.0361669 0.2589077 -0.0152518 -2.0869114 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 3 5 ] 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: 0.38, Number of G-points: 285, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 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 0.747 ( 0.000 0.000 0.000) 0.000 0.801 ( 0.000 0.000 0.000) 0.000 0.815 ( 0.000 0.000 0.000) 0.000 0.983 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 15.373 0.000 1.016) 15.407 0.315 ( 15.439 0.000 1.151) 15.482 0.548 ( 23.445 0.000 -0.802) 23.458 0.608 ( -9.861 0.000 2.640) 10.209 0.774 ( -2.809 0.000 -1.798) 3.335 0.829 ( -2.860 0.000 0.292) 2.875 1.029 ( 3.823 0.000 1.860) 4.251 1.066 ( 2.335 0.000 -1.790) 2.942 1.073 ( 2.244 0.000 1.427) 2.659 1.139 ( 1.774 0.000 -4.458) 4.798 1.158 ( -2.324 0.000 -1.316) 2.671 1.233 ( -0.716 0.000 -3.570) 3.641 1.251 ( 0.715 0.000 5.141) 5.190 1.291 ( -0.473 0.000 -5.518) 5.538 1.301 ( 1.684 0.000 -2.277) 2.832 1.380 ( 2.563 0.000 1.628) 3.037 1.441 ( 3.993 0.000 -0.819) 4.076 1.458 ( 0.161 0.000 7.998) 7.999 1.471 ( -0.215 0.000 -0.010) 0.216 1.478 ( 1.341 0.000 -1.347) 1.900 1.526 ( -4.275 0.000 -3.427) 5.479 1.602 ( -3.132 0.000 -1.837) 3.631 1.603 ( -2.791 0.000 -1.595) 3.214 1.662 ( 3.582 0.000 1.880) 4.045 1.666 ( 2.117 0.000 3.209) 3.844 1.702 ( -0.900 0.000 2.821) 2.961 1.723 ( 0.909 0.000 0.111) 0.916 1.744 ( -2.923 0.000 1.676) 3.370 1.745 ( 0.602 0.000 2.845) 2.908 1.775 ( 3.405 0.000 0.596) 3.457 1.848 ( 2.008 0.000 1.534) 2.526 1.864 ( 4.668 0.000 -0.417) 4.687 1.871 ( 2.356 0.000 -1.975) 3.074 1.898 ( 0.999 0.000 4.168) 4.286 1.908 ( 2.993 0.000 -1.920) 3.556 1.983 ( 2.200 0.000 -1.117) 2.467 1.984 ( 1.325 0.000 0.341) 1.368 2.009 ( 3.634 0.000 -0.731) 3.706 2.025 ( 1.090 0.000 -0.967) 1.458 2.041 ( 6.088 0.000 0.592) 6.116 2.073 ( 2.205 0.000 -4.123) 4.675 2.119 ( 0.661 0.000 -2.439) 2.527 2.160 ( -2.171 0.000 -1.448) 2.610 2.251 ( 5.315 0.000 0.762) 5.370 2.267 ( -1.872 0.000 -1.448) 2.367 2.296 ( 0.633 0.000 1.310) 1.455 2.349 ( 0.249 0.000 2.071) 2.086 2.390 ( 5.586 0.000 1.888) 5.896 2.421 ( -0.512 0.000 -4.284) 4.315 2.443 ( 6.258 0.000 1.099) 6.354 2.448 ( -0.255 0.000 -2.146) 2.161 2.465 ( 4.406 0.000 -3.272) 5.488 2.499 ( 3.608 0.000 4.071) 5.439 2.572 ( 2.443 0.000 1.307) 2.771 2.601 ( 3.777 0.000 2.035) 4.291 2.621 ( 0.295 0.000 1.408) 1.439 2.641 ( 5.835 0.000 1.123) 5.942 2.682 ( 1.293 0.000 0.958) 1.610 2.692 ( 1.401 0.000 -1.024) 1.736 2.741 ( -0.444 0.000 -2.094) 2.141 2.757 ( 1.944 0.000 1.787) 2.641 2.845 ( 2.044 0.000 -0.421) 2.087 2.863 ( 0.770 0.000 -0.031) 0.771 2.874 ( 2.165 0.000 -0.636) 2.257 2.909 ( -1.646 0.000 1.808) 2.445 2.960 ( 1.050 0.000 1.536) 1.861 2.988 ( 2.106 0.000 -1.580) 2.632 2.990 ( 3.409 0.000 0.132) 3.411 3.053 ( 0.307 0.000 0.041) 0.310 3.063 ( 1.049 0.000 -1.294) 1.666 3.084 ( -0.205 0.000 -2.474) 2.483 3.135 ( 1.388 0.000 -0.625) 1.522 3.142 ( 0.568 0.000 -0.312) 0.648 3.168 ( -0.426 0.000 0.954) 1.045 3.215 ( 0.975 0.000 1.380) 1.689 3.246 ( -0.143 0.000 1.000) 1.010 3.290 ( -1.728 0.000 -0.051) 1.729 3.307 ( -0.119 0.000 -3.591) 3.593 3.328 ( 0.642 0.000 -0.409) 0.761 3.328 ( 0.089 0.000 -1.943) 1.945 3.352 ( 0.150 0.000 -0.358) 0.388 3.371 ( 1.385 0.000 0.214) 1.401 3.474 ( -0.025 0.000 1.959) 1.959 3.586 ( -0.339 0.000 -4.509) 4.522 3.624 ( -0.176 0.000 -0.466) 0.498 3.670 ( -2.478 0.000 -0.029) 2.478 3.685 ( -2.225 0.000 0.701) 2.332 3.714 ( -2.243 0.000 -0.765) 2.369 3.721 ( -3.214 0.000 0.720) 3.293 3.730 ( -0.676 0.000 1.784) 1.908 3.753 ( -3.110 0.000 4.039) 5.097 3.764 ( -0.180 0.000 -0.706) 0.728 3.869 ( -0.746 0.000 0.970) 1.224 3.906 ( 0.597 0.000 0.541) 0.805 3.933 ( -0.907 0.000 -0.603) 1.089 3.934 ( -0.425 0.000 3.281) 3.309 3.955 ( -0.859 0.000 -0.060) 0.861 3.962 ( -3.124 0.000 -0.760) 3.215 4.033 ( -3.206 0.000 0.099) 3.207 4.049 ( -1.695 0.000 -3.168) 3.594 4.121 ( -0.212 0.000 -1.505) 1.520 4.141 ( -0.251 0.000 -0.505) 0.564 4.144 ( -0.245 0.000 2.335) 2.348 4.187 ( -1.206 0.000 -0.263) 1.234 4.590 ( -4.631 0.000 -1.422) 4.845 4.605 ( -1.302 0.000 5.858) 6.001 4.640 ( -2.758 0.000 0.266) 2.771 4.670 ( -2.001 0.000 -0.420) 2.045 5.007 ( 4.695 0.000 0.443) 4.716 5.028 ( 6.903 0.000 -0.580) 6.928 5.055 ( -1.896 0.000 0.614) 1.993 5.083 ( 0.436 0.000 0.233) 0.495 5.179 ( -1.756 0.000 0.234) 1.772 5.196 ( 5.324 0.000 2.944) 6.084 5.349 ( -3.017 0.000 1.028) 3.188 5.402 ( -3.435 0.000 2.045) 3.998 5.470 ( -4.217 0.000 -0.380) 4.234 5.814 ( -0.402 0.000 -8.313) 8.322 5.842 ( -7.382 0.000 -1.350) 7.504 5.914 ( -5.501 0.000 1.203) 5.631 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -10.150 0.000 -0.007) 10.150 0.607 ( 12.117 0.000 3.555) 12.628 0.613 ( 13.978 0.000 0.854) 14.004 0.627 ( -5.962 0.000 -4.709) 7.597 0.710 ( -7.561 0.000 1.474) 7.703 0.911 ( 8.822 0.000 -2.200) 9.092 1.049 ( 0.461 0.000 -1.232) 1.315 1.070 ( -3.528 0.000 3.104) 4.699 1.150 ( 2.339 0.000 2.774) 3.628 1.157 ( 4.808 0.000 -0.764) 4.868 1.211 ( 3.847 0.000 -2.234) 4.449 1.249 ( -0.700 0.000 -0.523) 0.873 1.260 ( 2.131 0.000 0.320) 2.155 1.314 ( 2.149 0.000 -3.254) 3.900 1.348 ( 2.842 0.000 -1.295) 3.123 1.396 ( -6.694 0.000 -1.527) 6.866 1.426 ( 2.357 0.000 3.855) 4.519 1.440 ( -0.796 0.000 -6.739) 6.786 1.459 ( -4.644 0.000 2.213) 5.144 1.472 ( -2.047 0.000 2.401) 3.155 1.505 ( 0.602 0.000 1.224) 1.364 1.566 ( -3.678 0.000 -1.129) 3.847 1.602 ( 8.698 0.000 -3.391) 9.336 1.616 ( -5.760 0.000 -0.169) 5.762 1.623 ( -0.611 0.000 1.802) 1.903 1.687 ( -1.426 0.000 4.331) 4.560 1.726 ( 2.838 0.000 2.297) 3.651 1.770 ( 0.370 0.000 -0.287) 0.468 1.784 ( 3.002 0.000 3.404) 4.538 1.826 ( -0.775 0.000 1.385) 1.587 1.901 ( 2.050 0.000 -0.563) 2.126 1.905 ( -1.242 0.000 4.391) 4.563 1.946 ( 2.585 0.000 -0.303) 2.603 1.963 ( 1.345 0.000 -0.929) 1.635 1.982 ( -0.773 0.000 -3.973) 4.048 1.992 ( 3.774 0.000 0.707) 3.840 2.020 ( -1.057 0.000 3.071) 3.248 2.044 ( 3.594 0.000 -1.352) 3.840 2.093 ( 5.911 0.000 1.183) 6.029 2.121 ( 2.889 0.000 -5.170) 5.922 2.154 ( 7.715 0.000 -0.896) 7.766 2.199 ( 5.757 0.000 -0.679) 5.797 2.233 ( 9.543 0.000 -1.651) 9.685 2.290 ( 1.358 0.000 -3.916) 4.144 2.322 ( -0.648 0.000 -0.159) 0.667 2.323 ( 3.123 0.000 -1.875) 3.642 2.388 ( 5.403 0.000 0.132) 5.405 2.395 ( -1.424 0.000 0.078) 1.426 2.440 ( -1.332 0.000 2.971) 3.256 2.501 ( 1.083 0.000 1.341) 1.723 2.544 ( 1.434 0.000 -3.580) 3.857 2.552 ( 5.098 0.000 0.942) 5.184 2.583 ( 3.026 0.000 -2.047) 3.654 2.610 ( 1.017 0.000 1.187) 1.563 2.626 ( 5.171 0.000 3.131) 6.045 2.690 ( 5.044 0.000 1.694) 5.321 2.721 ( 2.301 0.000 0.702) 2.405 2.751 ( 4.829 0.000 1.058) 4.943 2.751 ( 2.949 0.000 0.797) 3.055 2.802 ( 3.938 0.000 -0.597) 3.983 2.804 ( 5.453 0.000 0.227) 5.458 2.882 ( 1.307 0.000 1.927) 2.329 2.907 ( 3.798 0.000 -0.012) 3.798 2.912 ( 2.802 0.000 -1.203) 3.049 2.918 ( 1.588 0.000 1.677) 2.310 3.012 ( 2.208 0.000 4.019) 4.586 3.022 ( 1.633 0.000 0.005) 1.633 3.042 ( 1.427 0.000 -0.169) 1.437 3.054 ( 0.159 0.000 -0.970) 0.983 3.105 ( 4.168 0.000 -0.785) 4.242 3.107 ( 2.691 0.000 -2.324) 3.555 3.140 ( 0.034 0.000 -2.519) 2.520 3.151 ( 0.181 0.000 0.568) 0.596 3.188 ( 2.009 0.000 -1.459) 2.483 3.208 ( -1.263 0.000 -0.007) 1.263 3.252 ( 0.669 0.000 0.650) 0.932 3.296 ( 1.878 0.000 -1.117) 2.185 3.321 ( 1.804 0.000 -2.467) 3.056 3.336 ( 0.029 0.000 -2.598) 2.598 3.339 ( 0.821 0.000 -1.025) 1.313 3.379 ( 2.910 0.000 2.112) 3.596 3.383 ( -0.301 0.000 0.500) 0.583 3.449 ( -2.570 0.000 2.391) 3.510 3.574 ( -1.954 0.000 -3.480) 3.991 3.592 ( -3.777 0.000 0.566) 3.819 3.621 ( -3.428 0.000 -0.207) 3.435 3.638 ( -1.290 0.000 0.340) 1.334 3.642 ( -3.212 0.000 2.884) 4.316 3.662 ( -2.814 0.000 -1.136) 3.035 3.687 ( -2.781 0.000 2.393) 3.669 3.717 ( -0.817 0.000 -1.229) 1.476 3.731 ( -3.760 0.000 0.900) 3.866 3.848 ( -0.404 0.000 1.216) 1.281 3.880 ( -4.054 0.000 -0.993) 4.174 3.895 ( -1.836 0.000 2.157) 2.833 3.898 ( -1.833 0.000 0.355) 1.867 3.919 ( -0.331 0.000 0.124) 0.353 3.962 ( 0.226 0.000 1.847) 1.861 3.975 ( -2.004 0.000 -0.619) 2.097 4.020 ( -1.048 0.000 -2.366) 2.588 4.112 ( -0.717 0.000 -0.383) 0.813 4.134 ( -0.624 0.000 0.948) 1.135 4.136 ( -0.450 0.000 -0.770) 0.892 4.162 ( -1.099 0.000 -0.222) 1.121 4.478 ( -6.072 0.000 -1.577) 6.273 4.558 ( -4.953 0.000 -0.253) 4.959 4.572 ( -2.133 0.000 2.947) 3.638 4.618 ( -2.745 0.000 -0.258) 2.757 5.022 ( -1.195 0.000 -0.570) 1.324 5.079 ( 1.709 0.000 -0.499) 1.780 5.127 ( -3.142 0.000 -0.090) 3.144 5.135 ( 5.279 0.000 1.931) 5.621 5.172 ( 6.155 0.000 -1.314) 6.294 5.281 ( -1.616 0.000 -0.054) 1.617 5.304 ( 2.899 0.000 3.647) 4.659 5.308 ( -5.680 0.000 1.196) 5.805 5.378 ( -4.187 0.000 2.066) 4.669 5.660 ( -9.743 0.000 -2.772) 10.130 5.763 ( -5.395 0.000 -4.678) 7.141 5.826 ( -1.313 0.000 0.267) 1.340 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -4.688 0.000 -2.345) 5.242 0.467 ( -5.464 0.000 -1.097) 5.573 0.579 ( -4.173 0.000 1.053) 4.304 0.856 ( 8.580 0.000 0.218) 8.583 0.867 ( 10.081 0.000 3.891) 10.806 0.985 ( 1.231 0.000 -7.050) 7.157 1.015 ( -0.580 0.000 2.467) 2.534 1.084 ( -0.070 0.000 0.543) 0.548 1.179 ( -0.090 0.000 3.824) 3.825 1.180 ( -0.228 0.000 -2.817) 2.826 1.192 ( -5.893 0.000 -2.222) 6.298 1.238 ( -3.232 0.000 3.445) 4.724 1.279 ( 1.789 0.000 0.515) 1.861 1.294 ( -1.448 0.000 -1.542) 2.116 1.354 ( 1.764 0.000 -3.194) 3.649 1.382 ( 0.726 0.000 -0.938) 1.186 1.391 ( -1.082 0.000 2.301) 2.542 1.443 ( -0.988 0.000 2.182) 2.396 1.450 ( 1.370 0.000 -3.426) 3.689 1.464 ( -4.364 0.000 -1.160) 4.516 1.483 ( -2.228 0.000 -0.968) 2.429 1.500 ( 6.284 0.000 4.084) 7.495 1.625 ( 2.319 0.000 -0.753) 2.439 1.627 ( -0.301 0.000 2.477) 2.495 1.657 ( -0.748 0.000 0.006) 0.748 1.722 ( -1.615 0.000 1.287) 2.065 1.736 ( -2.312 0.000 0.092) 2.314 1.763 ( -1.887 0.000 -2.235) 2.925 1.809 ( 1.289 0.000 -0.143) 1.297 1.824 ( 1.832 0.000 1.349) 2.275 1.905 ( 4.660 0.000 1.560) 4.914 1.919 ( 1.053 0.000 -3.021) 3.199 1.926 ( -1.562 0.000 1.593) 2.231 1.957 ( -1.346 0.000 1.261) 1.844 2.001 ( 0.479 0.000 -1.385) 1.465 2.036 ( 0.932 0.000 1.201) 1.520 2.071 ( 5.536 0.000 0.188) 5.539 2.127 ( 3.944 0.000 -0.147) 3.946 2.167 ( 1.552 0.000 -1.635) 2.254 2.192 ( 2.857 0.000 -1.405) 3.184 2.235 ( -5.681 0.000 -1.134) 5.793 2.240 ( -3.178 0.000 0.985) 3.327 2.260 ( 0.756 0.000 0.350) 0.833 2.359 ( -1.314 0.000 2.570) 2.886 2.381 ( 7.878 0.000 -3.117) 8.473 2.381 ( 1.996 0.000 -1.540) 2.522 2.422 ( 3.992 0.000 -1.968) 4.451 2.424 ( 3.138 0.000 -4.159) 5.210 2.483 ( -0.945 0.000 2.630) 2.794 2.490 ( 1.840 0.000 1.237) 2.217 2.528 ( -3.474 0.000 2.008) 4.013 2.579 ( 1.382 0.000 0.016) 1.382 2.633 ( 1.890 0.000 0.085) 1.892 2.677 ( -0.018 0.000 0.765) 0.765 2.687 ( 2.703 0.000 0.075) 2.704 2.755 ( 1.439 0.000 0.281) 1.466 2.795 ( 0.722 0.000 -0.138) 0.735 2.796 ( 3.338 0.000 2.521) 4.183 2.808 ( 2.356 0.000 2.557) 3.477 2.874 ( -1.178 0.000 1.303) 1.757 2.890 ( 3.660 0.000 -1.024) 3.800 2.890 ( -0.972 0.000 -2.120) 2.332 2.942 ( -0.565 0.000 1.338) 1.452 2.960 ( -1.312 0.000 0.230) 1.332 2.979 ( 6.845 0.000 0.660) 6.877 3.059 ( -0.139 0.000 0.583) 0.599 3.066 ( 5.206 0.000 1.062) 5.314 3.095 ( 4.231 0.000 -1.075) 4.365 3.125 ( 0.372 0.000 -2.499) 2.527 3.136 ( 5.007 0.000 0.653) 5.049 3.137 ( -1.473 0.000 -0.377) 1.520 3.168 ( 1.062 0.000 0.226) 1.086 3.217 ( 4.670 0.000 -1.216) 4.826 3.220 ( 1.585 0.000 -1.144) 1.955 3.228 ( 5.238 0.000 -2.647) 5.868 3.285 ( 2.523 0.000 -1.118) 2.759 3.300 ( -0.524 0.000 -1.758) 1.834 3.315 ( -3.166 0.000 0.940) 3.302 3.358 ( -0.115 0.000 -0.318) 0.338 3.358 ( 0.653 0.000 0.014) 0.653 3.371 ( -0.718 0.000 1.643) 1.793 3.404 ( -2.592 0.000 0.285) 2.608 3.406 ( -1.211 0.000 0.897) 1.507 3.479 ( -5.817 0.000 1.350) 5.971 3.518 ( -5.413 0.000 -1.096) 5.523 3.518 ( -0.163 0.000 1.148) 1.160 3.592 ( -2.793 0.000 -1.391) 3.120 3.625 ( 0.055 0.000 0.339) 0.344 3.633 ( 0.630 0.000 0.821) 1.035 3.648 ( -1.108 0.000 -0.219) 1.129 3.666 ( -2.151 0.000 1.552) 2.652 3.692 ( -1.699 0.000 -0.548) 1.785 3.830 ( -0.097 0.000 0.563) 0.572 3.858 ( -2.057 0.000 -1.022) 2.296 3.865 ( 1.295 0.000 0.266) 1.322 3.886 ( 0.870 0.000 1.911) 2.100 3.914 ( -0.147 0.000 0.311) 0.344 3.936 ( -1.759 0.000 -0.630) 1.869 3.962 ( -0.451 0.000 0.199) 0.493 4.003 ( -0.608 0.000 -0.948) 1.126 4.100 ( -0.291 0.000 0.195) 0.351 4.122 ( -0.583 0.000 -0.219) 0.623 4.124 ( -0.367 0.000 0.167) 0.403 4.150 ( -0.199 0.000 -0.199) 0.281 4.375 ( -3.206 0.000 -0.805) 3.306 4.471 ( -2.810 0.000 -0.252) 2.822 4.530 ( -1.514 0.000 0.612) 1.633 4.577 ( -1.093 0.000 0.316) 1.137 5.017 ( 0.926 0.000 -1.328) 1.619 5.061 ( -3.130 0.000 1.086) 3.313 5.122 ( 2.722 0.000 -0.277) 2.737 5.200 ( -4.338 0.000 0.503) 4.367 5.224 ( 2.838 0.000 0.324) 2.856 5.255 ( 1.801 0.000 -0.909) 2.017 5.264 ( 0.371 0.000 0.019) 0.372 5.324 ( -1.151 0.000 3.389) 3.579 5.332 ( -0.515 0.000 1.317) 1.414 5.495 ( -5.372 0.000 -2.708) 6.016 5.681 ( -1.884 0.000 -1.164) 2.214 5.814 ( -0.233 0.000 -0.528) 0.577 ======================= Grid point 7 (5/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 15.139 0.000) 15.139 0.361 ( 0.000 17.108 0.000) 17.108 0.606 ( 0.000 10.612 0.000) 10.612 0.608 ( 0.000 -4.306 0.000) 4.306 0.720 ( 0.000 -4.514 0.000) 4.514 0.810 ( 0.000 -0.450 0.000) 0.450 0.827 ( 0.000 -0.750 0.000) 0.750 1.072 ( 0.000 5.390 0.000) 5.390 1.082 ( 0.000 -9.368 0.000) 9.368 1.192 ( 0.000 -2.220 0.000) 2.220 1.228 ( 0.000 2.947 0.000) 2.947 1.249 ( 0.000 4.424 0.000) 4.424 1.250 ( 0.000 -2.033 0.000) 2.033 1.289 ( 0.000 3.080 0.000) 3.080 1.296 ( 0.000 -4.440 0.000) 4.440 1.369 ( 0.000 5.289 0.000) 5.289 1.397 ( 0.000 3.495 0.000) 3.495 1.404 ( 0.000 -2.609 0.000) 2.609 1.447 ( 0.000 -9.782 0.000) 9.782 1.474 ( 0.000 2.852 0.000) 2.852 1.545 ( 0.000 2.530 0.000) 2.530 1.549 ( 0.000 -7.985 0.000) 7.985 1.563 ( 0.000 -1.756 0.000) 1.756 1.601 ( 0.000 -4.021 0.000) 4.021 1.651 ( 0.000 -0.986 0.000) 0.986 1.656 ( 0.000 -0.082 0.000) 0.082 1.666 ( 0.000 1.000 0.000) 1.000 1.684 ( 0.000 -2.232 0.000) 2.232 1.730 ( 0.000 -0.061 0.000) 0.061 1.776 ( 0.000 1.494 0.000) 1.494 1.786 ( 0.000 -6.006 0.000) 6.006 1.835 ( 0.000 2.235 0.000) 2.235 1.843 ( 0.000 -2.911 0.000) 2.911 1.861 ( 0.000 -0.490 0.000) 0.490 1.886 ( 0.000 0.727 0.000) 0.727 1.887 ( 0.000 1.094 0.000) 1.094 1.965 ( 0.000 2.385 0.000) 2.385 2.017 ( 0.000 4.149 0.000) 4.149 2.073 ( 0.000 1.131 0.000) 1.131 2.086 ( 0.000 0.317 0.000) 0.317 2.158 ( 0.000 -0.703 0.000) 0.703 2.193 ( 0.000 4.071 0.000) 4.071 2.213 ( 0.000 8.109 0.000) 8.109 2.222 ( 0.000 -3.574 0.000) 3.574 2.260 ( 0.000 2.248 0.000) 2.248 2.274 ( 0.000 -2.167 0.000) 2.167 2.285 ( 0.000 0.484 0.000) 0.484 2.296 ( 0.000 -1.877 0.000) 1.877 2.325 ( 0.000 -3.404 0.000) 3.404 2.396 ( 0.000 -4.980 0.000) 4.980 2.403 ( 0.000 -1.690 0.000) 1.690 2.447 ( 0.000 -3.089 0.000) 3.089 2.508 ( 0.000 4.769 0.000) 4.769 2.548 ( 0.000 0.796 0.000) 0.796 2.573 ( 0.000 2.039 0.000) 2.039 2.604 ( 0.000 7.916 0.000) 7.916 2.605 ( 0.000 -1.189 0.000) 1.189 2.662 ( 0.000 -1.608 0.000) 1.608 2.667 ( 0.000 -1.217 0.000) 1.217 2.727 ( 0.000 -1.390 0.000) 1.390 2.743 ( 0.000 3.589 0.000) 3.589 2.784 ( 0.000 0.628 0.000) 0.628 2.840 ( 0.000 0.238 0.000) 0.238 2.853 ( 0.000 -0.862 0.000) 0.862 2.905 ( 0.000 -2.176 0.000) 2.176 2.918 ( 0.000 -2.950 0.000) 2.950 3.003 ( 0.000 0.367 0.000) 0.367 3.004 ( 0.000 -0.027 0.000) 0.027 3.050 ( 0.000 0.309 0.000) 0.309 3.058 ( 0.000 -0.749 0.000) 0.749 3.116 ( 0.000 1.295 0.000) 1.295 3.121 ( 0.000 2.312 0.000) 2.312 3.159 ( 0.000 1.459 0.000) 1.459 3.165 ( 0.000 -0.868 0.000) 0.868 3.242 ( 0.000 0.293 0.000) 0.293 3.263 ( 0.000 -0.032 0.000) 0.032 3.264 ( 0.000 -1.695 0.000) 1.695 3.289 ( 0.000 -1.109 0.000) 1.109 3.292 ( 0.000 -1.986 0.000) 1.986 3.300 ( 0.000 -1.833 0.000) 1.833 3.386 ( 0.000 1.009 0.000) 1.009 3.392 ( 0.000 0.778 0.000) 0.778 3.424 ( 0.000 4.360 0.000) 4.360 3.486 ( 0.000 -1.210 0.000) 1.210 3.579 ( 0.000 -0.760 0.000) 0.760 3.593 ( 0.000 -1.842 0.000) 1.842 3.721 ( 0.000 0.562 0.000) 0.562 3.725 ( 0.000 0.188 0.000) 0.188 3.768 ( 0.000 0.799 0.000) 0.799 3.774 ( 0.000 2.088 0.000) 2.088 3.789 ( 0.000 1.576 0.000) 1.576 3.863 ( 0.000 -1.337 0.000) 1.337 3.888 ( 0.000 -0.264 0.000) 0.264 3.908 ( 0.000 -1.449 0.000) 1.449 3.938 ( 0.000 -1.579 0.000) 1.579 3.940 ( 0.000 -0.456 0.000) 0.456 3.987 ( 0.000 3.073 0.000) 3.073 4.010 ( 0.000 1.093 0.000) 1.093 4.036 ( 0.000 -1.706 0.000) 1.706 4.045 ( 0.000 -1.982 0.000) 1.982 4.124 ( 0.000 0.221 0.000) 0.221 4.135 ( 0.000 -0.784 0.000) 0.784 4.149 ( 0.000 0.745 0.000) 0.745 4.192 ( 0.000 -3.690 0.000) 3.690 4.577 ( 0.000 2.714 0.000) 2.714 4.639 ( 0.000 -3.056 0.000) 3.056 4.670 ( 0.000 1.680 0.000) 1.680 4.699 ( 0.000 -0.752 0.000) 0.752 4.946 ( 0.000 0.162 0.000) 0.162 4.951 ( 0.000 -0.251 0.000) 0.251 5.072 ( 0.000 0.824 0.000) 0.824 5.087 ( 0.000 -0.507 0.000) 0.507 5.157 ( 0.000 1.476 0.000) 1.476 5.198 ( 0.000 -2.162 0.000) 2.162 5.375 ( 0.000 9.245 0.000) 9.245 5.452 ( 0.000 7.681 0.000) 7.681 5.484 ( 0.000 -3.116 0.000) 3.116 5.708 ( 0.000 -13.396 0.000) 13.396 6.096 ( 0.000 4.893 0.000) 4.893 6.163 ( 0.000 -1.920 0.000) 1.920 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 9.517 9.292 0.028) 13.301 0.466 ( 9.127 12.432 -0.314) 15.426 0.605 ( -2.729 -2.551 1.350) 3.972 0.690 ( 0.665 -3.753 -1.338) 4.039 0.748 ( -2.698 -3.666 -0.688) 4.604 0.797 ( -0.416 -5.316 1.837) 5.639 0.838 ( 11.653 11.236 0.863) 16.210 1.080 ( 0.618 -2.044 -2.264) 3.112 1.121 ( 0.991 2.746 1.517) 3.290 1.191 ( 0.899 0.528 -5.562) 5.658 1.224 ( 0.246 -2.019 -1.232) 2.378 1.246 ( 1.241 3.151 1.967) 3.916 1.275 ( -0.256 2.145 0.620) 2.247 1.282 ( 1.835 1.854 -4.203) 4.947 1.362 ( 1.430 2.869 1.499) 3.539 1.371 ( 2.939 -4.596 -1.578) 5.679 1.387 ( 1.145 0.117 0.886) 1.453 1.434 ( 1.793 -1.785 1.891) 3.159 1.463 ( 1.403 -2.087 3.316) 4.162 1.501 ( -1.297 2.782 -1.810) 3.563 1.516 ( 0.943 -2.053 -0.244) 2.272 1.555 ( 0.602 -4.936 0.271) 4.980 1.601 ( 0.485 -0.656 0.994) 1.287 1.627 ( -0.696 -1.497 -0.037) 1.652 1.647 ( -0.401 0.602 -0.918) 1.169 1.664 ( 0.350 -1.312 -1.516) 2.035 1.677 ( 2.588 -1.779 5.031) 5.931 1.709 ( 0.138 -2.855 2.747) 3.965 1.737 ( 2.448 -0.896 0.361) 2.631 1.767 ( 2.078 -4.418 -0.375) 4.897 1.806 ( 1.921 0.070 3.183) 3.718 1.822 ( -1.618 -1.487 1.152) 2.482 1.850 ( 0.251 0.862 0.880) 1.257 1.857 ( 1.228 2.129 1.587) 2.926 1.886 ( 2.655 -1.322 1.206) 3.202 1.939 ( -0.405 -2.576 -0.766) 2.718 1.981 ( 4.954 1.878 -1.852) 5.612 2.026 ( 1.894 0.793 -2.179) 2.994 2.060 ( -0.179 0.171 -4.684) 4.691 2.123 ( -1.253 -1.911 -0.382) 2.317 2.160 ( 3.468 3.146 -0.593) 4.720 2.189 ( 0.477 4.091 -2.497) 4.816 2.221 ( 1.416 3.059 -1.408) 3.653 2.239 ( 1.622 2.345 -0.910) 2.993 2.267 ( 2.239 1.862 0.700) 2.995 2.298 ( 2.257 0.283 -0.059) 2.276 2.313 ( 2.425 1.092 0.763) 2.767 2.373 ( 5.906 -1.341 0.849) 6.115 2.382 ( 5.200 -0.896 -0.842) 5.343 2.400 ( 0.734 -4.393 -0.794) 4.524 2.445 ( 2.507 -0.306 -2.113) 3.293 2.492 ( 2.809 -4.324 0.123) 5.158 2.558 ( 3.035 1.864 1.548) 3.883 2.563 ( 2.211 2.019 0.639) 3.062 2.602 ( 2.465 -0.515 0.534) 2.574 2.610 ( 2.710 -0.688 0.006) 2.796 2.662 ( 3.328 5.108 0.882) 6.160 2.700 ( 1.621 0.013 -1.519) 2.221 2.722 ( 2.024 -0.105 0.191) 2.035 2.737 ( 1.890 3.493 0.910) 4.075 2.761 ( 2.367 -2.856 3.058) 4.807 2.782 ( 0.649 -0.528 0.212) 0.863 2.875 ( 2.346 0.842 0.693) 2.587 2.884 ( 2.288 0.508 1.414) 2.737 2.937 ( 1.943 -1.819 -0.795) 2.778 2.946 ( 2.741 -1.839 2.839) 4.354 2.985 ( -0.229 0.751 -0.928) 1.216 3.010 ( 0.040 1.844 -1.580) 2.428 3.020 ( -0.747 -1.219 -0.013) 1.430 3.049 ( -0.230 -1.693 -2.365) 2.917 3.116 ( -1.334 2.435 1.158) 3.008 3.140 ( -0.499 0.202 0.839) 0.997 3.172 ( 3.180 3.191 -0.539) 4.537 3.205 ( 1.697 0.655 -0.824) 1.997 3.220 ( -0.358 0.423 -0.869) 1.031 3.254 ( -0.174 -2.335 0.256) 2.355 3.261 ( 0.565 0.335 -0.910) 1.123 3.286 ( 0.123 -2.027 -1.672) 2.631 3.296 ( 0.408 0.046 0.624) 0.747 3.314 ( 0.564 -0.210 -1.024) 1.188 3.340 ( -1.039 -0.374 0.101) 1.108 3.406 ( 0.171 -4.595 0.796) 4.667 3.434 ( 0.091 2.954 -0.382) 2.980 3.508 ( 2.046 -3.841 -0.252) 4.360 3.591 ( 0.941 -0.554 -1.003) 1.483 3.606 ( 0.603 -1.433 -0.324) 1.588 3.691 ( -2.363 1.046 -1.381) 2.930 3.704 ( -2.025 0.256 -1.150) 2.343 3.733 ( -2.971 0.906 2.890) 4.242 3.745 ( -2.796 -0.116 2.810) 3.965 3.785 ( -0.755 3.474 1.466) 3.846 3.847 ( -3.030 -0.076 0.725) 3.117 3.874 ( -1.294 0.251 0.710) 1.497 3.903 ( -0.389 -1.519 -1.555) 2.208 3.924 ( -1.184 0.167 0.502) 1.297 3.940 ( -0.748 -0.019 1.121) 1.348 3.945 ( -1.498 0.508 -0.246) 1.600 3.970 ( -2.747 0.181 0.306) 2.770 4.017 ( -2.084 -0.983 -0.975) 2.502 4.030 ( -1.124 -1.480 -1.984) 2.718 4.124 ( -0.132 0.303 -0.551) 0.643 4.134 ( -0.030 -0.646 -0.069) 0.651 4.144 ( -0.460 0.375 0.538) 0.801 4.165 ( -1.638 -1.581 0.379) 2.308 4.576 ( -1.087 0.628 0.584) 1.384 4.602 ( -3.734 -0.607 -1.192) 3.967 4.644 ( -2.346 0.188 1.003) 2.559 4.664 ( -2.911 -0.726 0.232) 3.009 5.014 ( 5.194 0.402 0.089) 5.210 5.023 ( 6.426 -0.423 0.165) 6.442 5.064 ( -1.647 0.668 1.276) 2.188 5.073 ( -0.340 -0.258 0.863) 0.963 5.216 ( 4.499 1.311 1.758) 5.005 5.243 ( 1.023 0.222 -1.498) 1.828 5.362 ( -0.877 3.197 1.609) 3.685 5.418 ( -3.317 6.463 2.969) 7.848 5.438 ( -3.809 -1.361 -3.213) 5.165 5.656 ( -4.862 -12.173 -0.522) 13.119 5.980 ( -10.820 5.546 -3.363) 12.615 6.000 ( -8.259 2.698 -0.066) 8.688 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -9.236 5.021 0.420) 10.521 0.569 ( -7.815 -4.790 0.970) 9.218 0.645 ( 9.334 2.330 -0.040) 9.620 0.688 ( 0.596 -0.134 -0.653) 0.894 0.709 ( 8.783 6.705 0.566) 11.064 0.903 ( 6.923 -8.665 0.351) 11.096 1.011 ( 3.834 2.805 -1.299) 4.924 1.063 ( -2.162 -1.165 -0.789) 2.579 1.123 ( 0.447 5.370 -1.576) 5.614 1.217 ( -0.893 0.792 -1.476) 1.898 1.233 ( 1.234 -3.225 -0.897) 3.568 1.241 ( -2.343 -0.145 1.767) 2.938 1.282 ( 1.710 3.688 3.691) 5.491 1.342 ( 2.072 1.415 0.313) 2.529 1.364 ( 0.516 0.132 3.140) 3.185 1.412 ( -2.439 1.719 -1.895) 3.534 1.424 ( -0.099 -0.306 -1.589) 1.621 1.451 ( -1.248 1.487 -4.322) 4.738 1.479 ( 3.816 -1.529 -2.213) 4.669 1.497 ( -0.836 3.700 -0.420) 3.816 1.506 ( -1.235 -1.678 0.529) 2.150 1.553 ( -1.640 2.694 0.468) 3.188 1.581 ( 0.577 0.081 -0.722) 0.928 1.612 ( 1.135 -1.748 0.060) 2.085 1.638 ( -1.652 -0.377 -0.382) 1.737 1.693 ( 1.334 -1.090 1.186) 2.092 1.708 ( 1.590 -2.998 1.450) 3.691 1.732 ( 1.853 1.051 1.294) 2.492 1.772 ( 3.558 -6.893 6.708) 10.255 1.802 ( -0.242 -3.139 2.987) 4.340 1.824 ( 2.326 1.726 0.837) 3.015 1.858 ( 0.626 -0.601 0.277) 0.911 1.885 ( 2.917 -2.434 1.141) 3.967 1.891 ( -2.034 -4.119 -0.183) 4.597 1.935 ( 2.784 0.384 0.633) 2.881 1.972 ( 5.642 -2.838 1.490) 6.489 2.071 ( 6.032 1.561 -4.021) 7.415 2.088 ( 4.582 0.068 -3.043) 5.500 2.132 ( 3.028 -0.602 -2.829) 4.188 2.142 ( 4.232 0.708 0.046) 4.291 2.171 ( -0.646 2.671 -2.823) 3.940 2.217 ( 3.025 5.409 0.162) 6.200 2.267 ( 2.915 -1.613 -1.733) 3.756 2.320 ( 2.104 0.276 1.905) 2.852 2.323 ( 4.224 1.729 -2.100) 5.024 2.354 ( 2.441 0.672 -1.184) 2.795 2.369 ( 2.553 0.847 -1.852) 3.265 2.418 ( 1.228 -2.906 0.536) 3.201 2.425 ( -0.725 4.175 -1.457) 4.480 2.491 ( 2.389 1.128 2.610) 3.714 2.508 ( 3.336 -1.544 -0.283) 3.687 2.538 ( 1.578 -3.075 -1.380) 3.721 2.609 ( 1.318 2.076 1.426) 2.842 2.636 ( 4.880 0.347 1.080) 5.010 2.661 ( 4.230 -1.262 0.502) 4.443 2.680 ( 2.500 -0.124 2.354) 3.436 2.720 ( 3.290 0.707 -0.368) 3.385 2.732 ( 3.899 0.542 0.100) 3.938 2.779 ( 3.159 1.631 0.534) 3.595 2.798 ( 5.771 2.257 0.795) 6.248 2.825 ( 4.040 -1.093 -0.071) 4.186 2.852 ( 3.608 -2.530 3.068) 5.369 2.913 ( 1.136 0.989 1.617) 2.210 2.920 ( 1.986 1.596 -0.859) 2.689 2.946 ( -0.871 0.349 -1.694) 1.936 2.960 ( -0.074 -2.575 0.378) 2.604 3.008 ( 1.776 -0.313 2.855) 3.378 3.019 ( 2.433 -0.554 -0.159) 2.501 3.056 ( 1.769 -1.446 0.185) 2.292 3.067 ( 2.745 -1.705 -2.057) 3.831 3.125 ( 2.124 1.240 0.411) 2.494 3.140 ( 1.365 0.089 1.582) 2.092 3.199 ( 0.272 1.310 -0.638) 1.482 3.209 ( 0.275 3.140 -2.318) 3.913 3.227 ( 0.256 -0.024 -1.074) 1.104 3.265 ( -0.838 -0.495 -2.486) 2.670 3.273 ( 1.609 0.206 -1.936) 2.526 3.298 ( -0.792 -1.708 -1.834) 2.628 3.329 ( 3.492 -0.633 -0.686) 3.615 3.343 ( 2.413 0.949 -0.661) 2.676 3.347 ( 2.014 -1.147 1.963) 3.038 3.394 ( -1.132 -2.589 1.096) 3.031 3.466 ( 2.402 3.823 0.773) 4.580 3.548 ( 1.029 -4.046 -1.265) 4.362 3.581 ( -3.209 -0.287 -0.425) 3.250 3.589 ( -3.413 -0.664 -0.207) 3.483 3.641 ( -3.748 0.932 0.950) 3.978 3.648 ( -0.848 0.318 -0.026) 0.906 3.677 ( -2.601 0.553 0.777) 2.770 3.686 ( -3.170 -0.102 1.247) 3.408 3.736 ( -3.091 2.007 1.777) 4.092 3.764 ( -4.117 0.514 1.649) 4.465 3.848 ( -0.760 0.864 0.053) 1.152 3.874 ( -3.842 -0.289 -0.221) 3.859 3.880 ( -2.645 -0.763 0.027) 2.753 3.894 ( -1.098 -1.413 -0.108) 1.793 3.942 ( 0.441 1.244 0.532) 1.423 3.958 ( 0.004 0.664 2.187) 2.285 3.979 ( -1.013 -0.095 -1.518) 1.828 4.009 ( -0.730 -1.495 -1.920) 2.541 4.118 ( -0.410 0.591 -0.393) 0.820 4.130 ( -0.511 -0.303 -0.734) 0.945 4.135 ( -0.482 -0.088 1.032) 1.143 4.141 ( -0.611 -0.991 -0.395) 1.230 4.498 ( -5.765 1.474 -1.517) 6.141 4.525 ( -4.149 -1.463 -0.423) 4.419 4.585 ( -2.956 0.545 1.541) 3.377 4.606 ( -2.761 -1.145 0.334) 3.008 5.033 ( -1.142 0.980 0.426) 1.564 5.059 ( -0.264 -1.504 0.017) 1.527 5.127 ( 4.229 1.279 0.980) 4.525 5.156 ( 5.706 -1.171 0.682) 5.864 5.199 ( -2.836 3.906 -0.613) 4.865 5.274 ( -2.427 -2.821 0.410) 3.744 5.318 ( -1.955 1.484 1.923) 3.118 5.334 ( -3.699 2.038 3.249) 5.328 5.390 ( -0.956 3.028 -1.155) 3.379 5.537 ( -6.192 -8.680 -2.105) 10.868 5.819 ( -6.034 3.262 -2.998) 7.486 5.851 ( -4.749 0.509 -0.827) 4.848 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -4.894 5.095 -0.604) 7.090 0.412 ( -5.778 -4.941 0.425) 7.614 0.672 ( -0.127 7.514 -0.745) 7.552 0.818 ( 6.893 -5.174 -0.365) 8.627 0.912 ( 7.029 3.440 3.009) 8.385 0.954 ( -2.640 -0.723 0.640) 2.811 1.026 ( 0.713 1.526 -1.911) 2.548 1.092 ( 3.331 -4.391 1.913) 5.834 1.135 ( 0.542 1.865 -3.035) 3.603 1.184 ( -1.555 -2.226 -2.532) 3.713 1.219 ( 0.970 2.124 0.783) 2.463 1.256 ( -0.487 -0.494 -0.534) 0.876 1.274 ( -2.986 1.348 2.498) 4.120 1.294 ( -2.084 0.847 0.749) 2.371 1.356 ( -0.643 0.012 -1.330) 1.477 1.387 ( -2.889 -1.644 0.180) 3.329 1.403 ( -0.079 2.091 1.554) 2.607 1.428 ( 0.535 0.212 1.445) 1.555 1.453 ( 0.170 1.350 -3.103) 3.388 1.492 ( -0.800 3.097 0.523) 3.241 1.517 ( -1.703 1.039 3.549) 4.071 1.544 ( -0.506 -0.330 -6.666) 6.693 1.569 ( -1.448 -1.730 0.625) 2.341 1.607 ( 0.232 -2.552 -0.020) 2.563 1.641 ( -1.004 -0.876 0.149) 1.341 1.672 ( 2.432 -0.435 2.323) 3.391 1.753 ( -0.979 -0.948 -0.659) 1.514 1.771 ( -0.008 -0.825 -0.052) 0.827 1.810 ( 1.026 -1.124 1.139) 1.901 1.820 ( -2.018 -2.060 0.868) 3.011 1.866 ( 1.893 2.200 -1.068) 3.093 1.880 ( 3.118 -0.011 2.327) 3.891 1.888 ( 3.644 -3.505 2.294) 5.552 1.949 ( 1.989 -2.954 -2.068) 4.118 2.030 ( 6.234 3.471 1.803) 7.360 2.044 ( -2.063 3.319 0.769) 3.983 2.100 ( 1.749 0.361 0.013) 1.786 2.154 ( 0.801 -1.732 -2.959) 3.521 2.192 ( 2.272 2.667 -0.603) 3.555 2.218 ( 3.694 2.569 -1.088) 4.629 2.252 ( 6.257 -3.291 -2.786) 7.599 2.273 ( -2.030 1.201 -2.353) 3.332 2.301 ( -0.335 4.309 0.504) 4.351 2.327 ( 1.697 -1.295 -1.017) 2.364 2.356 ( -1.543 -0.200 3.172) 3.533 2.374 ( 1.353 -0.038 -0.636) 1.495 2.393 ( -0.441 0.995 0.266) 1.120 2.416 ( 1.582 -1.282 -0.353) 2.066 2.443 ( 0.028 -1.828 -0.020) 1.829 2.483 ( -3.834 -3.129 -0.115) 4.950 2.518 ( 0.543 0.621 0.509) 0.969 2.573 ( 1.617 -3.867 -0.805) 4.268 2.634 ( 1.152 2.806 0.232) 3.042 2.678 ( 0.742 -1.104 0.702) 1.504 2.711 ( 1.084 3.652 1.705) 4.173 2.757 ( 2.975 -0.029 0.955) 3.125 2.801 ( 1.500 -0.393 -0.765) 1.729 2.804 ( 2.573 -1.290 2.557) 3.851 2.829 ( 0.791 1.321 0.014) 1.539 2.869 ( 1.176 1.317 -0.377) 1.805 2.883 ( -0.272 -1.560 0.358) 1.624 2.887 ( 1.613 -0.628 -0.601) 1.832 2.929 ( -0.705 0.543 0.793) 1.192 2.942 ( -0.537 -1.055 1.201) 1.686 2.996 ( 5.511 0.541 -0.155) 5.540 3.010 ( 2.799 -1.924 0.885) 3.510 3.063 ( 4.656 -0.913 -0.424) 4.764 3.075 ( 4.188 -1.763 -0.042) 4.544 3.119 ( 3.251 1.066 -0.999) 3.564 3.140 ( 2.442 -0.267 -1.095) 2.690 3.156 ( 0.482 0.994 0.235) 1.130 3.177 ( 2.419 1.323 0.845) 2.884 3.207 ( 0.350 -0.843 -0.232) 0.942 3.231 ( -0.170 -1.279 -1.365) 1.878 3.248 ( 1.679 1.232 -1.328) 2.470 3.266 ( 1.208 -0.599 -1.232) 1.827 3.283 ( 1.610 0.076 -1.504) 2.204 3.305 ( 1.189 0.478 -1.846) 2.247 3.355 ( -1.270 -0.719 2.024) 2.495 3.365 ( -0.643 -2.171 2.022) 3.035 3.390 ( 1.543 2.123 -1.887) 3.233 3.402 ( 1.775 1.124 0.340) 2.128 3.444 ( -5.461 1.832 -0.245) 5.765 3.479 ( -4.943 -1.257 0.072) 5.101 3.494 ( -3.044 0.802 0.515) 3.190 3.537 ( -4.271 -1.551 -0.070) 4.545 3.575 ( -0.061 0.945 0.470) 1.057 3.603 ( -2.681 -0.735 0.623) 2.849 3.632 ( -0.978 -0.083 0.420) 1.068 3.647 ( -0.130 -1.405 0.004) 1.411 3.723 ( -0.302 3.963 1.381) 4.208 3.730 ( -0.016 3.504 0.040) 3.504 3.810 ( -0.911 -1.643 0.867) 2.069 3.826 ( -1.570 -2.587 -0.638) 3.093 3.855 ( -0.018 -0.004 0.070) 0.072 3.881 ( -0.262 -1.859 0.175) 1.885 3.952 ( 0.166 2.883 0.270) 2.900 3.955 ( 0.354 1.458 0.787) 1.695 3.971 ( -0.467 0.641 -0.899) 1.198 3.998 ( -0.297 -0.967 -0.591) 1.172 4.110 ( -0.260 0.703 0.010) 0.750 4.119 ( -0.447 -0.194 -0.220) 0.535 4.125 ( -0.293 0.156 0.059) 0.338 4.136 ( -0.092 -0.967 -0.212) 0.994 4.400 ( -3.055 2.130 -0.720) 3.793 4.447 ( -2.612 -2.055 -0.448) 3.354 4.538 ( -1.515 0.760 0.538) 1.778 4.561 ( -1.323 -1.305 0.362) 1.893 5.028 ( 0.869 1.125 -0.403) 1.478 5.057 ( -0.884 -1.046 0.497) 1.457 5.118 ( -0.494 1.216 -0.055) 1.313 5.172 ( -4.446 -2.728 1.131) 5.337 5.215 ( 1.207 0.133 -0.365) 1.268 5.239 ( 1.753 -1.923 0.035) 2.603 5.280 ( -0.986 1.141 0.808) 1.711 5.299 ( -0.978 0.255 1.478) 1.791 5.381 ( -0.142 2.172 0.293) 2.196 5.440 ( -2.817 -3.767 -1.878) 5.065 5.740 ( -1.701 4.112 -0.954) 4.551 5.803 ( -0.849 -1.622 -0.614) 1.931 ======================= Grid point 21 (9/36) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( -2.189 0.000 14.822) 14.983 0.303 ( 1.125 0.000 16.489) 16.528 0.486 ( 0.062 0.000 23.913) 23.913 0.758 ( 6.809 0.000 1.463) 6.964 0.812 ( -1.498 0.000 0.905) 1.750 0.852 ( -3.868 0.000 3.429) 5.169 0.961 ( -2.144 0.000 -0.479) 2.197 0.978 ( 0.048 0.000 -6.765) 6.766 1.036 ( -1.139 0.000 1.325) 1.747 1.094 ( 2.635 0.000 -10.992) 11.303 1.117 ( 0.158 0.000 -6.048) 6.051 1.152 ( -3.563 0.000 -9.361) 10.017 1.165 ( -1.203 0.000 -2.631) 2.893 1.257 ( -1.510 0.000 -5.209) 5.423 1.290 ( -2.877 0.000 -3.128) 4.250 1.309 ( 1.622 0.000 3.392) 3.760 1.393 ( 0.634 0.000 -2.392) 2.474 1.442 ( 3.080 0.000 -4.919) 5.804 1.448 ( -3.846 0.000 -0.664) 3.903 1.500 ( 2.704 0.000 1.544) 3.113 1.571 ( 4.579 0.000 8.428) 9.592 1.626 ( -0.360 0.000 -0.693) 0.781 1.632 ( 1.487 0.000 -1.248) 1.941 1.655 ( 0.182 0.000 0.645) 0.670 1.669 ( -2.199 0.000 4.161) 4.706 1.689 ( -0.708 0.000 -2.860) 2.946 1.727 ( 0.734 0.000 4.418) 4.479 1.751 ( -0.610 0.000 3.437) 3.491 1.773 ( -0.375 0.000 -1.744) 1.784 1.793 ( 2.377 0.000 1.592) 2.861 1.826 ( 2.906 0.000 1.509) 3.274 1.854 ( -0.243 0.000 3.259) 3.268 1.869 ( -3.065 0.000 -0.503) 3.106 1.891 ( -1.392 0.000 0.524) 1.488 1.909 ( 5.838 0.000 -0.263) 5.844 1.961 ( -0.271 0.000 4.417) 4.425 1.965 ( -0.390 0.000 0.048) 0.393 1.990 ( 0.083 0.000 1.987) 1.988 2.017 ( -1.918 0.000 1.277) 2.304 2.020 ( -2.979 0.000 0.072) 2.980 2.083 ( -1.744 0.000 1.006) 2.013 2.104 ( -1.020 0.000 -0.751) 1.267 2.141 ( -0.377 0.000 0.647) 0.748 2.211 ( -0.874 0.000 -6.770) 6.826 2.239 ( 0.147 0.000 -2.880) 2.884 2.274 ( -0.059 0.000 -1.653) 1.654 2.319 ( 2.625 0.000 -0.199) 2.632 2.342 ( 0.402 0.000 -1.674) 1.722 2.350 ( 0.606 0.000 0.013) 0.607 2.377 ( 0.886 0.000 4.380) 4.469 2.395 ( -3.028 0.000 -1.867) 3.557 2.419 ( -4.101 0.000 -1.087) 4.242 2.512 ( 1.731 0.000 0.287) 1.754 2.514 ( 2.905 0.000 -1.736) 3.384 2.542 ( 3.230 0.000 2.067) 3.835 2.588 ( 1.148 0.000 0.482) 1.244 2.599 ( 1.634 0.000 3.137) 3.537 2.662 ( -0.851 0.000 -1.193) 1.465 2.684 ( -1.250 0.000 3.037) 3.284 2.708 ( 2.985 0.000 0.382) 3.009 2.730 ( -1.796 0.000 -3.454) 3.893 2.821 ( -1.950 0.000 -0.462) 2.004 2.833 ( -0.413 0.000 -2.819) 2.849 2.890 ( 0.508 0.000 -1.691) 1.766 2.892 ( 1.151 0.000 -1.906) 2.227 2.917 ( 2.212 0.000 -0.441) 2.256 2.949 ( -0.430 0.000 -2.646) 2.681 3.001 ( -3.191 0.000 -1.991) 3.761 3.053 ( 0.636 0.000 1.750) 1.862 3.085 ( 1.142 0.000 -1.285) 1.720 3.106 ( -3.279 0.000 0.004) 3.279 3.121 ( 1.437 0.000 -4.577) 4.798 3.133 ( -1.158 0.000 3.959) 4.125 3.151 ( 0.482 0.000 3.113) 3.150 3.196 ( -0.466 0.000 1.131) 1.223 3.249 ( -0.320 0.000 -0.312) 0.447 3.281 ( -1.072 0.000 -0.584) 1.221 3.292 ( -6.049 0.000 -0.964) 6.126 3.336 ( -0.730 0.000 0.576) 0.929 3.348 ( -2.261 0.000 0.806) 2.400 3.372 ( 0.056 0.000 0.971) 0.973 3.376 ( 3.380 0.000 1.473) 3.687 3.422 ( 2.520 0.000 -1.956) 3.190 3.463 ( 1.345 0.000 -0.875) 1.605 3.582 ( -0.227 0.000 -1.111) 1.134 3.650 ( -0.528 0.000 2.245) 2.307 3.676 ( 0.374 0.000 -2.951) 2.975 3.718 ( -0.058 0.000 1.575) 1.576 3.750 ( -1.175 0.000 0.783) 1.412 3.757 ( 1.529 0.000 -0.058) 1.530 3.788 ( -0.187 0.000 2.348) 2.355 3.893 ( 2.944 0.000 0.579) 3.001 3.895 ( 0.471 0.000 0.071) 0.476 3.928 ( -1.876 0.000 1.605) 2.468 3.941 ( 2.815 0.000 2.995) 4.110 3.947 ( -0.639 0.000 -0.930) 1.129 3.992 ( 0.704 0.000 1.604) 1.752 3.997 ( -0.723 0.000 0.475) 0.866 4.061 ( 0.290 0.000 -0.930) 0.975 4.069 ( -1.799 0.000 -0.072) 1.801 4.111 ( -0.029 0.000 -1.069) 1.070 4.132 ( -0.302 0.000 -1.158) 1.197 4.178 ( -0.420 0.000 -2.090) 2.131 4.269 ( -2.181 0.000 -1.753) 2.798 4.608 ( 7.820 0.000 0.908) 7.872 4.643 ( -2.178 0.000 -0.289) 2.197 4.674 ( 1.024 0.000 1.178) 1.561 4.694 ( -0.398 0.000 0.312) 0.506 4.947 ( -0.122 0.000 0.716) 0.726 4.976 ( 0.008 0.000 1.895) 1.895 5.055 ( 0.402 0.000 -1.946) 1.987 5.086 ( 1.823 0.000 -0.828) 2.002 5.091 ( 0.037 0.000 1.051) 1.051 5.193 ( 0.027 0.000 -0.864) 0.864 5.353 ( 0.497 0.000 -2.445) 2.495 5.401 ( 1.392 0.000 -3.198) 3.488 5.562 ( -0.232 0.000 4.519) 4.525 5.800 ( -3.329 0.000 -0.662) 3.394 5.965 ( -0.865 0.000 4.025) 4.117 6.165 ( -1.576 0.000 -2.268) 2.762 ======================= Grid point 22 (10/36) ======================= q-point: ( 0.14 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 9.037 0.000 5.802) 10.739 0.449 ( 10.987 0.000 11.700) 16.050 0.682 ( -10.607 0.000 4.844) 11.660 0.712 ( 11.746 0.000 9.926) 15.378 0.760 ( -1.966 0.000 0.581) 2.050 0.840 ( -1.813 0.000 0.721) 1.951 0.963 ( 4.556 0.000 -2.034) 4.989 1.023 ( 4.067 0.000 -6.339) 7.532 1.073 ( 3.675 0.000 0.040) 3.675 1.095 ( 1.649 0.000 -0.222) 1.664 1.122 ( -1.130 0.000 -2.074) 2.362 1.136 ( 1.064 0.000 -6.117) 6.209 1.161 ( 2.718 0.000 -7.352) 7.839 1.269 ( 2.079 0.000 -2.558) 3.297 1.296 ( 1.656 0.000 -2.305) 2.838 1.358 ( 2.716 0.000 0.190) 2.722 1.365 ( -2.188 0.000 -3.110) 3.802 1.461 ( 1.904 0.000 -2.506) 3.147 1.485 ( 1.640 0.000 -1.025) 1.934 1.521 ( -0.422 0.000 3.118) 3.146 1.579 ( -3.670 0.000 -1.156) 3.848 1.598 ( -3.963 0.000 0.555) 4.001 1.598 ( -1.299 0.000 6.081) 6.219 1.637 ( 0.090 0.000 -0.980) 0.984 1.712 ( 0.710 0.000 -1.977) 2.101 1.732 ( -3.520 0.000 2.285) 4.197 1.754 ( 4.791 0.000 1.208) 4.941 1.768 ( 3.878 0.000 2.370) 4.545 1.769 ( 3.125 0.000 -2.474) 3.986 1.811 ( -2.081 0.000 1.261) 2.433 1.826 ( -0.661 0.000 -0.113) 0.671 1.849 ( 2.462 0.000 -0.666) 2.551 1.896 ( 3.070 0.000 1.238) 3.310 1.917 ( 1.806 0.000 3.784) 4.193 1.962 ( -0.197 0.000 0.129) 0.235 1.965 ( 3.064 0.000 -1.464) 3.396 1.985 ( 1.612 0.000 -0.059) 1.613 2.014 ( 4.657 0.000 4.341) 6.367 2.037 ( 6.107 0.000 2.718) 6.685 2.071 ( 5.952 0.000 2.575) 6.485 2.080 ( 1.126 0.000 2.279) 2.542 2.093 ( 0.369 0.000 1.443) 1.490 2.180 ( -0.608 0.000 1.726) 1.830 2.220 ( -5.078 0.000 -2.439) 5.634 2.226 ( 6.370 0.000 -3.871) 7.454 2.304 ( 1.842 0.000 -0.978) 2.085 2.343 ( 2.368 0.000 -2.046) 3.129 2.364 ( 1.923 0.000 -1.485) 2.430 2.391 ( 2.132 0.000 -0.071) 2.133 2.399 ( 5.298 0.000 -0.380) 5.312 2.437 ( 3.362 0.000 -0.081) 3.363 2.467 ( 5.351 0.000 0.019) 5.351 2.553 ( 0.372 0.000 1.145) 1.204 2.590 ( 2.456 0.000 0.763) 2.571 2.592 ( 2.465 0.000 -1.908) 3.117 2.649 ( 3.593 0.000 -1.553) 3.914 2.664 ( 1.329 0.000 1.149) 1.757 2.671 ( 4.060 0.000 -1.831) 4.454 2.702 ( 0.380 0.000 -0.697) 0.794 2.723 ( 3.323 0.000 0.096) 3.325 2.744 ( 2.696 0.000 1.252) 2.972 2.819 ( 1.753 0.000 0.093) 1.756 2.828 ( 0.153 0.000 -3.220) 3.224 2.866 ( 1.614 0.000 -0.134) 1.620 2.918 ( -1.910 0.000 -1.772) 2.606 2.945 ( 3.423 0.000 -1.613) 3.784 2.985 ( 1.640 0.000 -2.027) 2.607 2.995 ( 3.076 0.000 -1.404) 3.381 3.044 ( -1.122 0.000 3.210) 3.400 3.056 ( -0.293 0.000 0.471) 0.555 3.095 ( 0.539 0.000 1.382) 1.483 3.142 ( 0.538 0.000 -1.505) 1.599 3.145 ( 1.466 0.000 -1.884) 2.387 3.173 ( 0.923 0.000 2.613) 2.771 3.232 ( -0.889 0.000 -2.394) 2.554 3.237 ( -0.423 0.000 -2.442) 2.479 3.251 ( 2.780 0.000 3.256) 4.281 3.266 ( 0.069 0.000 1.086) 1.088 3.307 ( -0.872 0.000 0.185) 0.892 3.320 ( -0.602 0.000 0.791) 0.994 3.397 ( 1.591 0.000 1.687) 2.319 3.399 ( 0.368 0.000 1.721) 1.760 3.460 ( 0.410 0.000 -6.647) 6.660 3.483 ( 0.655 0.000 -0.957) 1.160 3.613 ( 1.547 0.000 -1.553) 2.192 3.647 ( 0.592 0.000 -1.336) 1.462 3.669 ( -1.110 0.000 -1.892) 2.194 3.682 ( -3.512 0.000 0.807) 3.604 3.723 ( -1.495 0.000 0.869) 1.730 3.751 ( -2.256 0.000 1.185) 2.549 3.769 ( -1.292 0.000 1.334) 1.857 3.845 ( -5.225 0.000 2.597) 5.835 3.894 ( -0.698 0.000 0.906) 1.144 3.912 ( -2.134 0.000 -2.273) 3.118 3.928 ( 0.090 0.000 1.115) 1.119 3.958 ( -2.849 0.000 0.031) 2.850 3.970 ( -1.259 0.000 1.371) 1.861 3.996 ( 0.314 0.000 3.421) 3.435 4.022 ( -2.321 0.000 -0.295) 2.340 4.029 ( -2.668 0.000 0.038) 2.668 4.103 ( -0.554 0.000 -0.850) 1.015 4.122 ( -0.528 0.000 -1.312) 1.414 4.161 ( -0.951 0.000 -2.246) 2.439 4.197 ( -2.738 0.000 1.445) 3.096 4.568 ( -4.895 0.000 -0.978) 4.992 4.653 ( -3.106 0.000 1.017) 3.268 4.661 ( -1.458 0.000 0.401) 1.512 4.664 ( -2.297 0.000 0.277) 2.314 5.003 ( 4.285 0.000 -0.185) 4.289 5.046 ( 6.147 0.000 2.000) 6.465 5.063 ( -0.327 0.000 -0.536) 0.628 5.098 ( 1.056 0.000 1.125) 1.543 5.144 ( -0.950 0.000 -2.665) 2.829 5.251 ( 6.205 0.000 0.299) 6.212 5.346 ( -0.939 0.000 -1.427) 1.708 5.403 ( -0.950 0.000 -2.066) 2.274 5.504 ( -5.156 0.000 4.298) 6.713 5.695 ( -4.323 0.000 -2.552) 5.020 5.865 ( -8.741 0.000 3.412) 9.383 5.992 ( -10.122 0.000 3.245) 10.630 ======================= Grid point 23 (11/36) ======================= q-point: ( 0.29 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -12.412 0.000 4.245) 13.117 0.512 ( 2.892 0.000 -5.952) 6.617 0.662 ( -0.193 0.000 2.358) 2.366 0.681 ( 7.655 0.000 4.492) 8.876 0.730 ( -3.847 0.000 2.367) 4.517 0.896 ( 5.546 0.000 -4.557) 7.178 1.030 ( -0.906 0.000 0.874) 1.259 1.093 ( -0.444 0.000 -0.793) 0.909 1.132 ( 5.310 0.000 -3.392) 6.301 1.140 ( 2.245 0.000 0.245) 2.258 1.209 ( 5.895 0.000 0.536) 5.919 1.210 ( 1.252 0.000 -2.541) 2.833 1.237 ( 8.363 0.000 -2.600) 8.758 1.294 ( -1.595 0.000 -6.471) 6.665 1.303 ( 0.769 0.000 -0.894) 1.180 1.334 ( -1.917 0.000 3.865) 4.314 1.394 ( -3.727 0.000 -0.456) 3.755 1.416 ( 3.335 0.000 -2.250) 4.023 1.493 ( -4.708 0.000 0.219) 4.713 1.521 ( -1.421 0.000 2.238) 2.651 1.536 ( -4.385 0.000 -1.238) 4.556 1.568 ( -0.122 0.000 3.849) 3.851 1.579 ( 6.328 0.000 1.771) 6.571 1.641 ( -0.140 0.000 -1.781) 1.787 1.648 ( -4.026 0.000 3.179) 5.130 1.693 ( 5.538 0.000 -1.753) 5.809 1.766 ( -1.662 0.000 1.886) 2.514 1.792 ( -2.081 0.000 -1.039) 2.326 1.811 ( 1.048 0.000 0.499) 1.160 1.817 ( -0.660 0.000 -0.680) 0.947 1.869 ( -0.136 0.000 -6.564) 6.565 1.898 ( -0.477 0.000 0.699) 0.846 1.941 ( -0.519 0.000 0.191) 0.553 1.977 ( 3.914 0.000 1.240) 4.106 1.987 ( 6.910 0.000 1.802) 7.141 2.031 ( 1.648 0.000 4.886) 5.157 2.051 ( 3.390 0.000 0.151) 3.394 2.086 ( -3.373 0.000 3.342) 4.748 2.108 ( 2.365 0.000 3.596) 4.304 2.132 ( 4.865 0.000 4.355) 6.530 2.141 ( 6.674 0.000 -1.230) 6.787 2.203 ( 4.830 0.000 -2.961) 5.666 2.218 ( 7.796 0.000 0.597) 7.819 2.240 ( 6.113 0.000 3.463) 7.026 2.312 ( -0.631 0.000 -0.618) 0.883 2.326 ( -2.662 0.000 0.012) 2.662 2.363 ( 6.498 0.000 -2.418) 6.933 2.387 ( -0.080 0.000 -0.128) 0.151 2.476 ( 0.117 0.000 0.154) 0.193 2.491 ( 2.872 0.000 -0.147) 2.876 2.516 ( 6.569 0.000 -2.089) 6.894 2.570 ( 4.125 0.000 -0.476) 4.152 2.587 ( 2.834 0.000 5.167) 5.893 2.615 ( 2.476 0.000 -1.024) 2.679 2.667 ( 4.594 0.000 0.638) 4.638 2.701 ( 2.215 0.000 -3.647) 4.267 2.722 ( 6.638 0.000 2.065) 6.952 2.729 ( 1.667 0.000 -2.683) 3.159 2.789 ( 5.185 0.000 0.778) 5.243 2.803 ( 4.540 0.000 -0.033) 4.540 2.807 ( 1.947 0.000 1.701) 2.585 2.845 ( 0.305 0.000 -2.814) 2.831 2.872 ( 5.205 0.000 -1.735) 5.486 2.908 ( 2.029 0.000 -1.002) 2.263 2.943 ( 4.123 0.000 2.062) 4.610 2.999 ( 1.089 0.000 -3.184) 3.365 3.013 ( 1.016 0.000 -0.896) 1.354 3.047 ( 1.456 0.000 -2.660) 3.032 3.055 ( 2.349 0.000 -1.602) 2.843 3.078 ( 4.038 0.000 -1.441) 4.288 3.111 ( 0.980 0.000 2.909) 3.070 3.154 ( -0.297 0.000 -0.262) 0.396 3.158 ( -0.693 0.000 4.452) 4.506 3.167 ( 1.215 0.000 -0.790) 1.449 3.205 ( -1.751 0.000 -0.489) 1.818 3.233 ( 0.139 0.000 -1.263) 1.271 3.282 ( 0.504 0.000 1.158) 1.263 3.312 ( 3.657 0.000 1.047) 3.804 3.322 ( 2.119 0.000 -0.584) 2.198 3.337 ( 2.607 0.000 1.243) 2.888 3.391 ( -1.016 0.000 -0.785) 1.284 3.417 ( 0.081 0.000 2.689) 2.690 3.475 ( -1.903 0.000 0.412) 1.947 3.504 ( 3.562 0.000 -3.563) 5.039 3.600 ( -2.631 0.000 0.206) 2.639 3.602 ( -3.953 0.000 -0.948) 4.065 3.624 ( -3.510 0.000 -1.565) 3.844 3.659 ( -0.607 0.000 -3.084) 3.143 3.684 ( -2.216 0.000 2.119) 3.066 3.686 ( -2.978 0.000 0.938) 3.122 3.731 ( -5.748 0.000 2.170) 6.143 3.750 ( -1.138 0.000 0.635) 1.303 3.855 ( -2.898 0.000 -1.639) 3.330 3.858 ( -2.728 0.000 -0.563) 2.785 3.889 ( -3.153 0.000 -1.245) 3.390 3.921 ( -1.678 0.000 0.387) 1.722 3.935 ( -0.226 0.000 1.135) 1.158 3.975 ( -2.209 0.000 1.241) 2.533 3.990 ( -0.745 0.000 -0.783) 1.081 3.999 ( -1.014 0.000 1.844) 2.104 4.093 ( -0.346 0.000 -1.098) 1.151 4.115 ( -0.232 0.000 -1.084) 1.109 4.145 ( -0.453 0.000 -1.430) 1.500 4.157 ( -1.592 0.000 0.958) 1.857 4.460 ( -5.362 0.000 -0.332) 5.372 4.565 ( -5.121 0.000 0.943) 5.207 4.596 ( -3.886 0.000 -0.477) 3.915 4.621 ( -2.486 0.000 0.762) 2.600 5.032 ( -2.243 0.000 1.107) 2.501 5.057 ( 1.407 0.000 -1.509) 2.063 5.108 ( -2.085 0.000 -1.576) 2.613 5.153 ( 3.253 0.000 0.068) 3.254 5.178 ( 5.956 0.000 1.577) 6.161 5.291 ( -1.520 0.000 0.869) 1.751 5.364 ( -3.445 0.000 4.220) 5.447 5.381 ( 3.630 0.000 3.373) 4.955 5.405 ( -2.499 0.000 1.096) 2.729 5.646 ( -1.645 0.000 -7.183) 7.369 5.650 ( -11.812 0.000 1.977) 11.976 5.815 ( -6.564 0.000 -1.125) 6.660 ======================= Grid point 24 (12/36) ======================= q-point: ( 0.43 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( -4.017 0.000 3.119) 5.086 0.443 ( -3.453 0.000 -2.059) 4.020 0.564 ( -5.745 0.000 -1.943) 6.065 0.781 ( 6.605 0.000 -9.903) 11.904 0.908 ( 7.525 0.000 5.062) 9.069 0.958 ( -0.316 0.000 1.923) 1.949 1.061 ( 5.640 0.000 -3.667) 6.727 1.067 ( -1.028 0.000 2.259) 2.482 1.140 ( -1.482 0.000 -0.260) 1.505 1.142 ( -8.042 0.000 -0.524) 8.059 1.233 ( 2.744 0.000 -1.467) 3.112 1.255 ( 0.192 0.000 -4.248) 4.253 1.274 ( 2.342 0.000 -1.131) 2.601 1.282 ( -2.543 0.000 2.358) 3.468 1.327 ( -0.266 0.000 -3.472) 3.482 1.342 ( -1.004 0.000 1.226) 1.585 1.357 ( 2.976 0.000 -0.588) 3.033 1.430 ( 0.717 0.000 -0.112) 0.726 1.457 ( -2.236 0.000 0.560) 2.305 1.476 ( 0.897 0.000 -0.935) 1.296 1.506 ( -0.665 0.000 2.044) 2.149 1.553 ( -3.734 0.000 1.255) 3.939 1.620 ( 5.648 0.000 3.957) 6.896 1.645 ( 0.359 0.000 -1.836) 1.871 1.686 ( -2.373 0.000 2.504) 3.450 1.721 ( -3.891 0.000 -2.427) 4.586 1.725 ( -3.842 0.000 -0.479) 3.872 1.758 ( 1.392 0.000 0.015) 1.392 1.802 ( 1.759 0.000 0.056) 1.760 1.847 ( 1.111 0.000 0.684) 1.305 1.881 ( 1.723 0.000 -1.390) 2.214 1.903 ( -4.030 0.000 -0.711) 4.092 1.969 ( 9.847 0.000 2.927) 10.272 1.997 ( -0.819 0.000 1.300) 1.536 2.011 ( -1.054 0.000 1.920) 2.190 2.066 ( 0.007 0.000 1.822) 1.822 2.079 ( 1.262 0.000 1.565) 2.011 2.126 ( 1.188 0.000 0.347) 1.238 2.142 ( 4.571 0.000 2.223) 5.083 2.201 ( -4.473 0.000 -3.045) 5.411 2.239 ( 2.255 0.000 4.536) 5.065 2.268 ( 0.850 0.000 0.069) 0.853 2.273 ( -0.471 0.000 0.812) 0.939 2.327 ( 4.795 0.000 -2.764) 5.535 2.348 ( 4.666 0.000 0.224) 4.671 2.353 ( 2.646 0.000 -1.652) 3.119 2.381 ( 2.431 0.000 0.224) 2.441 2.467 ( -0.516 0.000 5.946) 5.968 2.485 ( 3.799 0.000 -1.533) 4.097 2.537 ( 2.096 0.000 1.485) 2.569 2.569 ( -2.932 0.000 2.021) 3.561 2.611 ( 1.593 0.000 -1.993) 2.551 2.624 ( 0.470 0.000 4.006) 4.033 2.679 ( 2.227 0.000 -0.861) 2.388 2.698 ( -1.651 0.000 0.732) 1.806 2.721 ( 0.175 0.000 -4.855) 4.858 2.769 ( 2.006 0.000 -1.714) 2.638 2.802 ( -0.811 0.000 -0.383) 0.896 2.828 ( -1.673 0.000 -1.612) 2.324 2.873 ( 3.504 0.000 0.653) 3.565 2.876 ( 3.809 0.000 -0.499) 3.841 2.906 ( 1.303 0.000 2.482) 2.803 2.942 ( -1.097 0.000 -1.155) 1.593 2.959 ( 1.940 0.000 -0.777) 2.090 2.985 ( 3.799 0.000 -0.602) 3.847 3.051 ( 1.490 0.000 -0.611) 1.611 3.053 ( 3.330 0.000 -1.761) 3.766 3.077 ( 2.385 0.000 -2.030) 3.132 3.105 ( -1.237 0.000 0.208) 1.254 3.140 ( 3.567 0.000 1.533) 3.882 3.156 ( 3.099 0.000 -4.350) 5.341 3.162 ( 1.888 0.000 1.355) 2.324 3.173 ( 0.105 0.000 -0.991) 0.996 3.195 ( 6.047 0.000 2.073) 6.393 3.226 ( 4.215 0.000 0.280) 4.224 3.254 ( 2.282 0.000 -0.480) 2.332 3.296 ( 0.699 0.000 0.772) 1.041 3.324 ( -2.573 0.000 0.227) 2.583 3.363 ( -1.510 0.000 -1.383) 2.047 3.389 ( 1.709 0.000 1.838) 2.509 3.398 ( 1.373 0.000 0.556) 1.481 3.399 ( -1.066 0.000 2.364) 2.593 3.433 ( -2.047 0.000 1.387) 2.472 3.499 ( -5.021 0.000 -0.223) 5.026 3.520 ( -4.001 0.000 2.139) 4.537 3.541 ( -1.167 0.000 1.347) 1.782 3.561 ( -1.279 0.000 -2.204) 2.548 3.608 ( -1.639 0.000 -1.813) 2.444 3.641 ( -1.503 0.000 -0.386) 1.552 3.652 ( -0.863 0.000 1.065) 1.370 3.668 ( -0.987 0.000 -1.811) 2.062 3.700 ( -3.527 0.000 2.140) 4.125 3.823 ( -2.265 0.000 -2.496) 3.371 3.832 ( -0.211 0.000 -3.542) 3.548 3.839 ( 0.699 0.000 0.391) 0.801 3.915 ( 0.700 0.000 0.342) 0.779 3.926 ( -0.590 0.000 0.859) 1.042 3.928 ( -2.546 0.000 0.456) 2.586 3.970 ( -1.198 0.000 0.365) 1.252 3.989 ( 0.577 0.000 -0.733) 0.933 4.090 ( -0.019 0.000 -1.021) 1.021 4.109 ( -0.236 0.000 -0.945) 0.974 4.132 ( -0.971 0.000 0.607) 1.145 4.144 ( 0.315 0.000 -0.483) 0.577 4.383 ( -1.611 0.000 1.566) 2.247 4.481 ( -2.420 0.000 1.225) 2.712 4.527 ( -2.475 0.000 -0.911) 2.638 4.574 ( -1.853 0.000 -0.594) 1.946 5.001 ( -0.324 0.000 -0.150) 0.357 5.067 ( -1.755 0.000 -0.011) 1.755 5.091 ( 2.267 0.000 -2.655) 3.491 5.158 ( -2.412 0.000 -2.583) 3.534 5.258 ( 1.916 0.000 2.220) 2.932 5.280 ( 0.645 0.000 1.353) 1.499 5.330 ( 0.298 0.000 7.319) 7.325 5.395 ( -2.544 0.000 4.731) 5.371 5.395 ( -3.348 0.000 3.976) 5.198 5.451 ( -2.999 0.000 -1.962) 3.584 5.617 ( 0.055 0.000 -5.644) 5.644 5.758 ( 0.025 0.000 -5.300) 5.300 ======================= Grid point 25 (13/36) ======================= q-point: (-0.43 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 7.136 0.000 4.784) 8.591 0.478 ( 6.867 0.000 -0.578) 6.891 0.525 ( 2.400 0.000 -3.948) 4.620 0.767 ( -7.113 0.000 -6.639) 9.730 0.903 ( -7.810 0.000 5.093) 9.324 0.983 ( -3.962 0.000 -1.672) 4.301 1.015 ( 4.779 0.000 -4.802) 6.775 1.080 ( -2.210 0.000 3.243) 3.924 1.101 ( 0.281 0.000 -2.239) 2.256 1.185 ( 1.954 0.000 -3.548) 4.051 1.218 ( -1.762 0.000 1.320) 2.202 1.241 ( 0.411 0.000 -0.345) 0.537 1.269 ( 1.512 0.000 -0.905) 1.762 1.325 ( 1.907 0.000 1.355) 2.339 1.335 ( 4.733 0.000 -0.657) 4.778 1.386 ( -1.575 0.000 0.492) 1.650 1.418 ( 2.916 0.000 0.128) 2.919 1.430 ( 1.282 0.000 -0.214) 1.300 1.440 ( -5.246 0.000 0.771) 5.302 1.444 ( -0.636 0.000 -0.722) 0.963 1.499 ( 4.432 0.000 1.125) 4.573 1.505 ( -0.294 0.000 -0.588) 0.657 1.576 ( -5.735 0.000 -2.147) 6.124 1.634 ( -1.729 0.000 2.703) 3.209 1.675 ( -0.516 0.000 -3.388) 3.427 1.693 ( -0.188 0.000 1.454) 1.466 1.768 ( 4.315 0.000 1.545) 4.583 1.794 ( -2.196 0.000 -0.675) 2.298 1.807 ( -1.188 0.000 2.076) 2.392 1.815 ( -1.682 0.000 0.295) 1.708 1.846 ( 4.795 0.000 -3.107) 5.714 1.935 ( -7.551 0.000 3.666) 8.394 1.943 ( 0.940 0.000 -0.935) 1.326 1.975 ( -0.848 0.000 0.946) 1.270 2.045 ( -1.243 0.000 2.439) 2.738 2.049 ( -2.825 0.000 -2.010) 3.467 2.067 ( -2.153 0.000 5.132) 5.565 2.131 ( -1.190 0.000 0.354) 1.242 2.146 ( -3.644 0.000 -0.130) 3.647 2.228 ( 7.901 0.000 -2.384) 8.253 2.253 ( -1.560 0.000 0.114) 1.565 2.261 ( 0.405 0.000 2.569) 2.600 2.301 ( 2.059 0.000 5.547) 5.917 2.342 ( -1.550 0.000 -0.806) 1.747 2.396 ( -0.128 0.000 0.839) 0.848 2.426 ( -4.133 0.000 -0.095) 4.134 2.428 ( 0.879 0.000 2.197) 2.366 2.451 ( -1.232 0.000 0.315) 1.272 2.468 ( -1.485 0.000 2.499) 2.907 2.514 ( -0.133 0.000 -0.124) 0.182 2.540 ( -2.070 0.000 2.602) 3.325 2.595 ( -2.072 0.000 1.204) 2.397 2.599 ( -3.099 0.000 -3.140) 4.412 2.671 ( -1.280 0.000 0.052) 1.281 2.676 ( -2.297 0.000 -0.784) 2.427 2.705 ( -1.402 0.000 -5.334) 5.515 2.719 ( -5.159 0.000 -4.020) 6.541 2.795 ( -0.348 0.000 0.318) 0.471 2.797 ( -0.345 0.000 1.191) 1.240 2.877 ( -2.399 0.000 1.704) 2.943 2.900 ( -3.669 0.000 -0.176) 3.673 2.910 ( -0.653 0.000 0.074) 0.657 2.912 ( -3.045 0.000 -1.653) 3.465 2.957 ( -7.439 0.000 -1.347) 7.560 2.959 ( 3.010 0.000 0.448) 3.043 3.023 ( -4.277 0.000 -2.972) 5.208 3.050 ( 0.522 0.000 -0.683) 0.860 3.087 ( -1.399 0.000 -0.904) 1.665 3.124 ( -3.118 0.000 -0.663) 3.188 3.148 ( -3.073 0.000 -0.926) 3.210 3.152 ( -2.639 0.000 0.035) 2.639 3.203 ( 0.123 0.000 -2.527) 2.530 3.209 ( 1.280 0.000 5.158) 5.314 3.247 ( -1.548 0.000 0.409) 1.601 3.263 ( -3.272 0.000 1.463) 3.584 3.289 ( -1.972 0.000 0.874) 2.157 3.303 ( 1.758 0.000 -1.469) 2.292 3.331 ( 4.442 0.000 -0.119) 4.444 3.351 ( 1.517 0.000 0.784) 1.708 3.381 ( -0.707 0.000 1.661) 1.805 3.382 ( 2.601 0.000 -1.151) 2.845 3.390 ( -1.658 0.000 3.310) 3.702 3.418 ( -0.671 0.000 1.359) 1.516 3.487 ( 2.874 0.000 1.463) 3.225 3.502 ( -0.901 0.000 0.193) 0.921 3.524 ( 6.061 0.000 -0.102) 6.062 3.599 ( 3.229 0.000 -1.084) 3.406 3.606 ( 0.520 0.000 -1.557) 1.641 3.631 ( -0.652 0.000 -0.098) 0.659 3.637 ( 0.297 0.000 -1.422) 1.452 3.653 ( 0.345 0.000 1.154) 1.205 3.686 ( 2.364 0.000 -1.014) 2.572 3.814 ( 2.045 0.000 -1.395) 2.475 3.822 ( -0.503 0.000 -3.013) 3.055 3.865 ( 1.164 0.000 0.203) 1.181 3.878 ( -1.831 0.000 0.143) 1.836 3.919 ( 0.079 0.000 0.742) 0.746 3.926 ( 0.082 0.000 -1.316) 1.318 3.971 ( 0.706 0.000 0.563) 0.903 4.016 ( 2.089 0.000 -0.010) 2.089 4.090 ( 0.002 0.000 -0.380) 0.380 4.112 ( 0.635 0.000 -1.088) 1.260 4.122 ( 0.170 0.000 -0.078) 0.187 4.154 ( 0.575 0.000 0.161) 0.597 4.409 ( 3.867 0.000 2.618) 4.670 4.490 ( 3.097 0.000 1.718) 3.541 4.505 ( 0.089 0.000 -1.941) 1.943 4.565 ( 1.333 0.000 -0.965) 1.646 5.024 ( 2.170 0.000 -1.590) 2.690 5.049 ( 0.386 0.000 1.388) 1.441 5.104 ( -1.689 0.000 -1.546) 2.290 5.143 ( 0.960 0.000 -3.785) 3.905 5.272 ( -1.305 0.000 2.162) 2.525 5.287 ( -0.783 0.000 2.115) 2.256 5.292 ( -0.004 0.000 2.038) 2.038 5.321 ( -2.416 0.000 4.984) 5.539 5.345 ( -1.624 0.000 2.107) 2.660 5.540 ( 7.666 0.000 1.983) 7.919 5.658 ( 4.307 0.000 -3.571) 5.595 5.773 ( 1.131 0.000 -4.950) 5.077 ======================= Grid point 26 (14/36) ======================= q-point: (-0.29 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 6.044 0.000 5.064) 7.885 0.553 ( -8.806 0.000 -0.541) 8.823 0.616 ( -0.354 0.000 -2.636) 2.660 0.687 ( 7.768 0.000 1.161) 7.855 0.710 ( -3.640 0.000 4.817) 6.037 0.982 ( -6.694 0.000 2.248) 7.061 0.989 ( 1.613 0.000 -5.286) 5.527 1.079 ( -1.110 0.000 0.936) 1.452 1.089 ( 1.223 0.000 -2.834) 3.087 1.139 ( -4.932 0.000 -0.454) 4.953 1.204 ( 0.064 0.000 -2.961) 2.962 1.211 ( -3.326 0.000 -4.030) 5.225 1.269 ( -3.902 0.000 2.103) 4.433 1.320 ( -2.511 0.000 -4.802) 5.419 1.379 ( -0.800 0.000 -0.604) 1.003 1.389 ( -1.035 0.000 3.680) 3.822 1.421 ( -3.899 0.000 -2.167) 4.461 1.423 ( 5.607 0.000 1.153) 5.724 1.435 ( 2.079 0.000 0.193) 2.088 1.506 ( 3.305 0.000 -3.604) 4.890 1.509 ( 1.871 0.000 0.820) 2.043 1.551 ( -0.028 0.000 0.434) 0.435 1.580 ( 5.486 0.000 -1.950) 5.823 1.630 ( -0.757 0.000 -1.355) 1.552 1.648 ( -6.080 0.000 2.128) 6.442 1.669 ( 2.716 0.000 3.300) 4.274 1.718 ( -2.127 0.000 3.717) 4.283 1.727 ( -3.336 0.000 -1.710) 3.749 1.758 ( -3.126 0.000 -3.140) 4.430 1.812 ( 0.815 0.000 2.511) 2.640 1.861 ( 0.956 0.000 -0.982) 1.370 1.898 ( -4.785 0.000 -1.351) 4.972 1.950 ( -2.299 0.000 -0.861) 2.455 1.957 ( -0.231 0.000 -2.349) 2.360 2.008 ( -1.132 0.000 3.103) 3.303 2.018 ( -2.427 0.000 4.120) 4.782 2.060 ( -3.565 0.000 -0.107) 3.566 2.067 ( 3.061 0.000 3.977) 5.018 2.083 ( -4.406 0.000 0.951) 4.507 2.169 ( -5.353 0.000 0.285) 5.360 2.227 ( -2.665 0.000 3.789) 4.632 2.267 ( -4.831 0.000 3.593) 6.021 2.268 ( -7.146 0.000 1.340) 7.271 2.290 ( -5.082 0.000 0.089) 5.083 2.338 ( -2.805 0.000 1.039) 2.992 2.370 ( 1.805 0.000 -3.413) 3.861 2.372 ( -5.874 0.000 1.041) 5.966 2.380 ( -4.787 0.000 1.678) 5.073 2.425 ( 0.575 0.000 3.340) 3.389 2.488 ( -4.814 0.000 -4.628) 6.677 2.528 ( -2.322 0.000 1.723) 2.892 2.563 ( -2.776 0.000 -0.525) 2.826 2.578 ( 0.375 0.000 -2.786) 2.812 2.607 ( -3.817 0.000 0.576) 3.860 2.613 ( -0.309 0.000 -1.562) 1.592 2.663 ( -2.469 0.000 -0.501) 2.520 2.696 ( 1.276 0.000 -1.851) 2.248 2.738 ( -4.506 0.000 -0.270) 4.514 2.764 ( -6.219 0.000 1.917) 6.508 2.779 ( -6.430 0.000 -1.901) 6.705 2.798 ( -5.166 0.000 -2.226) 5.625 2.812 ( -2.532 0.000 0.528) 2.587 2.870 ( -1.434 0.000 -2.488) 2.871 2.883 ( -1.661 0.000 -2.073) 2.656 2.943 ( -3.317 0.000 0.859) 3.427 2.958 ( -4.669 0.000 -1.696) 4.967 3.024 ( -1.701 0.000 -0.951) 1.949 3.024 ( -0.644 0.000 -0.765) 1.000 3.080 ( -1.649 0.000 -2.163) 2.720 3.105 ( -2.550 0.000 -2.224) 3.383 3.111 ( 1.286 0.000 2.975) 3.241 3.165 ( -2.993 0.000 0.239) 3.002 3.204 ( -0.672 0.000 0.038) 0.674 3.223 ( -1.330 0.000 5.780) 5.931 3.226 ( -2.317 0.000 -0.370) 2.347 3.241 ( -0.537 0.000 3.155) 3.201 3.324 ( -4.195 0.000 -2.985) 5.149 3.333 ( -3.405 0.000 2.739) 4.369 3.346 ( -0.543 0.000 -0.439) 0.698 3.350 ( 1.606 0.000 -0.945) 1.864 3.390 ( 1.099 0.000 2.268) 2.520 3.391 ( -0.389 0.000 0.654) 0.762 3.416 ( 0.730 0.000 0.062) 0.733 3.568 ( 2.696 0.000 -3.169) 4.160 3.589 ( 5.199 0.000 0.160) 5.201 3.599 ( 3.033 0.000 -1.253) 3.281 3.637 ( 1.964 0.000 -1.026) 2.216 3.640 ( 1.887 0.000 0.088) 1.889 3.656 ( 1.388 0.000 1.148) 1.801 3.686 ( 3.197 0.000 0.670) 3.266 3.705 ( -0.639 0.000 -1.527) 1.655 3.722 ( 6.544 0.000 0.121) 6.545 3.821 ( 0.633 0.000 -1.761) 1.871 3.873 ( 0.925 0.000 0.449) 1.028 3.877 ( 3.301 0.000 -0.703) 3.375 3.905 ( 3.253 0.000 1.120) 3.441 3.928 ( 0.712 0.000 -2.033) 2.154 3.934 ( 1.300 0.000 1.346) 1.871 3.984 ( 0.759 0.000 0.302) 0.817 4.057 ( 1.512 0.000 1.123) 1.884 4.094 ( 0.657 0.000 -1.082) 1.266 4.129 ( 0.868 0.000 -1.497) 1.731 4.141 ( 1.718 0.000 0.530) 1.797 4.165 ( 0.473 0.000 0.348) 0.587 4.514 ( 5.807 0.000 2.199) 6.209 4.516 ( 0.840 0.000 -2.622) 2.753 4.575 ( 4.487 0.000 1.528) 4.740 4.618 ( 3.392 0.000 -0.238) 3.401 5.052 ( 1.106 0.000 1.725) 2.049 5.075 ( -1.103 0.000 -0.595) 1.253 5.101 ( -4.444 0.000 -1.397) 4.659 5.101 ( 3.531 0.000 -1.979) 4.048 5.229 ( -6.420 0.000 4.516) 7.849 5.272 ( -2.101 0.000 0.137) 2.105 5.282 ( 2.640 0.000 -1.679) 3.128 5.298 ( -1.552 0.000 1.062) 1.880 5.379 ( 6.580 0.000 2.390) 7.001 5.722 ( 9.768 0.000 3.378) 10.335 5.766 ( 3.308 0.000 -4.104) 5.271 5.822 ( 6.779 0.000 -0.493) 6.797 ======================= Grid point 27 (15/36) ======================= q-point: (-0.14 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -8.133 0.000 8.390) 11.685 0.414 ( -10.304 0.000 10.004) 14.362 0.599 ( 7.776 0.000 1.664) 7.952 0.732 ( -16.984 0.000 13.934) 21.968 0.815 ( 2.238 0.000 2.263) 3.183 0.819 ( 5.719 0.000 -1.303) 5.866 1.003 ( 0.523 0.000 -5.425) 5.450 1.018 ( -4.468 0.000 1.945) 4.873 1.065 ( -0.806 0.000 -3.040) 3.145 1.114 ( -5.219 0.000 -7.574) 9.198 1.148 ( -4.989 0.000 -0.689) 5.036 1.153 ( 2.880 0.000 -2.297) 3.684 1.224 ( -1.370 0.000 -5.486) 5.654 1.277 ( -1.257 0.000 -5.147) 5.298 1.309 ( -1.949 0.000 -4.408) 4.820 1.363 ( -1.927 0.000 2.133) 2.875 1.422 ( -1.576 0.000 -3.343) 3.696 1.437 ( -5.196 0.000 -4.456) 6.845 1.438 ( 2.595 0.000 5.912) 6.456 1.513 ( -0.404 0.000 -1.035) 1.111 1.517 ( 0.535 0.000 0.897) 1.045 1.582 ( 2.623 0.000 -1.540) 3.042 1.612 ( 2.842 0.000 -2.715) 3.931 1.662 ( 1.525 0.000 1.123) 1.893 1.681 ( -1.429 0.000 2.129) 2.564 1.693 ( -1.866 0.000 -1.365) 2.312 1.701 ( 1.988 0.000 4.887) 5.276 1.715 ( 1.513 0.000 1.066) 1.851 1.764 ( 7.106 0.000 -0.494) 7.124 1.799 ( -2.024 0.000 2.607) 3.301 1.816 ( -3.447 0.000 -0.527) 3.488 1.843 ( 0.385 0.000 1.036) 1.105 1.878 ( -5.032 0.000 1.417) 5.228 1.930 ( -1.458 0.000 -2.355) 2.770 1.950 ( -4.599 0.000 2.199) 5.098 1.974 ( -1.178 0.000 -0.738) 1.390 1.984 ( -0.665 0.000 0.699) 0.965 2.029 ( -1.319 0.000 2.414) 2.751 2.047 ( -6.072 0.000 3.899) 7.217 2.070 ( -5.528 0.000 3.342) 6.460 2.151 ( -1.621 0.000 -0.250) 1.641 2.167 ( -3.811 0.000 0.980) 3.935 2.212 ( -3.196 0.000 4.861) 5.818 2.255 ( -3.379 0.000 -6.419) 7.254 2.268 ( 1.643 0.000 -0.429) 1.698 2.277 ( -2.360 0.000 2.857) 3.706 2.284 ( -3.571 0.000 0.092) 3.573 2.348 ( -3.069 0.000 -1.416) 3.380 2.406 ( -2.644 0.000 -0.914) 2.797 2.418 ( -1.344 0.000 -1.499) 2.013 2.443 ( -5.265 0.000 0.215) 5.269 2.514 ( -2.824 0.000 -0.084) 2.825 2.543 ( -5.577 0.000 -2.150) 5.977 2.556 ( 0.068 0.000 2.519) 2.520 2.588 ( -2.817 0.000 2.811) 3.980 2.613 ( 0.173 0.000 0.319) 0.363 2.616 ( -4.382 0.000 -1.689) 4.697 2.632 ( -7.427 0.000 -7.273) 10.395 2.696 ( -2.588 0.000 -0.947) 2.756 2.734 ( -0.212 0.000 3.992) 3.998 2.742 ( 0.769 0.000 -2.249) 2.377 2.800 ( 1.231 0.000 -3.005) 3.248 2.857 ( -2.031 0.000 0.089) 2.033 2.874 ( 0.149 0.000 -0.970) 0.981 2.874 ( 0.925 0.000 -1.467) 1.734 2.907 ( -1.750 0.000 -2.886) 3.375 3.004 ( -2.489 0.000 0.177) 2.495 3.009 ( 1.070 0.000 1.059) 1.506 3.062 ( 0.382 0.000 -2.544) 2.573 3.076 ( -1.435 0.000 0.029) 1.435 3.114 ( -1.634 0.000 -4.572) 4.856 3.134 ( 0.359 0.000 5.760) 5.771 3.167 ( -2.385 0.000 1.912) 3.057 3.174 ( -3.293 0.000 -0.818) 3.393 3.205 ( 0.001 0.000 -0.175) 0.175 3.244 ( 0.438 0.000 1.460) 1.524 3.281 ( 1.535 0.000 2.283) 2.751 3.309 ( -1.699 0.000 -1.310) 2.145 3.311 ( 1.083 0.000 1.008) 1.479 3.373 ( -0.977 0.000 1.003) 1.400 3.394 ( -0.326 0.000 1.124) 1.170 3.403 ( 0.216 0.000 1.120) 1.141 3.429 ( 1.673 0.000 -1.868) 2.507 3.518 ( -7.728 0.000 -8.424) 11.432 3.604 ( -1.346 0.000 -1.121) 1.752 3.654 ( 1.973 0.000 -2.038) 2.836 3.666 ( -1.209 0.000 2.344) 2.637 3.694 ( 2.143 0.000 1.787) 2.790 3.699 ( 4.167 0.000 -0.628) 4.214 3.745 ( 2.123 0.000 2.309) 3.137 3.780 ( 7.130 0.000 0.875) 7.184 3.782 ( 0.334 0.000 1.087) 1.137 3.871 ( 3.239 0.000 -2.581) 4.142 3.887 ( 0.933 0.000 1.851) 2.073 3.931 ( 1.836 0.000 1.323) 2.263 3.945 ( 0.325 0.000 0.154) 0.359 3.964 ( 2.039 0.000 0.526) 2.106 3.978 ( 2.453 0.000 1.413) 2.831 4.018 ( 2.866 0.000 -1.231) 3.119 4.078 ( 0.717 0.000 0.461) 0.852 4.107 ( 0.363 0.000 -1.263) 1.314 4.137 ( -0.074 0.000 -1.053) 1.056 4.175 ( 0.535 0.000 -0.867) 1.019 4.201 ( 4.689 0.000 2.536) 5.331 4.530 ( 0.651 0.000 -1.300) 1.454 4.619 ( 4.223 0.000 1.614) 4.521 4.644 ( 2.016 0.000 0.688) 2.131 4.677 ( 2.053 0.000 0.345) 2.082 5.001 ( -4.571 0.000 0.120) 4.573 5.042 ( -4.008 0.000 0.665) 4.063 5.066 ( -0.077 0.000 0.503) 0.509 5.106 ( -3.267 0.000 2.850) 4.335 5.135 ( -2.458 0.000 -1.924) 3.122 5.192 ( -1.491 0.000 -0.678) 1.638 5.325 ( 2.136 0.000 -1.078) 2.393 5.350 ( 3.498 0.000 -3.107) 4.678 5.508 ( 5.201 0.000 3.575) 6.311 5.801 ( 1.570 0.000 -3.465) 3.804 5.898 ( 6.860 0.000 4.015) 7.948 6.013 ( 10.607 0.000 2.966) 11.014 ======================= Grid point 28 (16/36) ======================= q-point: ( 0.00 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -0.124 11.484 6.118) 13.013 0.418 ( -1.335 11.617 8.759) 14.610 0.634 ( 0.732 -10.932 2.037) 11.144 0.680 ( -1.738 -11.094 3.580) 11.787 0.807 ( 0.975 2.152 4.217) 4.834 0.818 ( -0.055 0.620 0.473) 0.782 0.847 ( 2.660 12.146 6.813) 14.178 1.036 ( -0.952 0.054 -2.535) 2.708 1.063 ( -0.146 -0.277 -4.315) 4.326 1.094 ( -3.043 3.126 -9.962) 10.876 1.150 ( 1.479 2.022 -5.504) 6.048 1.190 ( -1.924 1.085 -4.629) 5.129 1.199 ( -4.331 -2.570 -5.299) 7.310 1.265 ( 1.314 3.666 1.937) 4.350 1.305 ( 0.142 1.844 -1.908) 2.657 1.355 ( 2.192 -0.457 -0.632) 2.326 1.406 ( -1.875 1.426 -0.230) 2.367 1.435 ( 0.695 0.596 0.657) 1.128 1.464 ( -0.206 -4.032 0.355) 4.053 1.500 ( 2.113 0.759 -0.006) 2.246 1.539 ( 1.337 -3.997 3.643) 5.571 1.553 ( 0.526 -4.935 3.010) 5.804 1.593 ( 0.125 -1.333 -1.775) 2.223 1.628 ( 1.282 -1.116 0.569) 1.793 1.644 ( 0.521 -2.027 4.177) 4.672 1.657 ( 0.239 -1.693 0.506) 1.783 1.670 ( 0.356 -2.184 -0.548) 2.280 1.698 ( 0.845 -3.628 1.228) 3.922 1.757 ( 0.069 1.767 3.344) 3.783 1.789 ( 0.792 -1.361 0.484) 1.648 1.797 ( 0.846 -0.542 1.987) 2.226 1.840 ( -0.293 -0.707 -0.580) 0.961 1.852 ( 1.858 -0.346 1.650) 2.509 1.871 ( 0.523 -0.203 0.915) 1.073 1.895 ( 3.222 0.952 2.712) 4.318 1.932 ( 0.507 -3.432 2.867) 4.500 1.989 ( -1.712 5.471 1.612) 5.955 2.001 ( -2.977 2.354 -2.132) 4.353 2.054 ( -5.806 1.187 -0.328) 5.936 2.111 ( 0.116 2.161 1.851) 2.848 2.146 ( -0.175 -4.496 -2.521) 5.158 2.175 ( -1.135 5.071 -3.619) 6.332 2.182 ( -0.093 1.019 -1.723) 2.004 2.187 ( -0.154 4.372 -1.781) 4.724 2.231 ( -1.248 -0.430 -4.523) 4.712 2.251 ( 0.727 -3.286 -1.346) 3.625 2.276 ( -1.641 -0.401 -1.663) 2.370 2.293 ( 1.608 -1.809 -0.890) 2.579 2.338 ( -0.384 0.028 2.580) 2.609 2.392 ( -1.273 -0.198 -0.358) 1.337 2.411 ( -0.907 -1.117 2.294) 2.708 2.472 ( 0.312 -3.110 2.018) 3.720 2.513 ( 0.466 4.060 -2.292) 4.685 2.522 ( -1.002 3.506 -1.410) 3.910 2.549 ( 0.943 0.104 -0.589) 1.117 2.593 ( 1.467 -0.732 0.392) 1.686 2.616 ( 0.396 0.001 -2.315) 2.349 2.627 ( 2.182 -2.189 -1.806) 3.579 2.692 ( -1.632 2.486 -0.702) 3.056 2.718 ( 1.499 2.069 3.133) 4.043 2.758 ( 0.829 -0.770 -1.732) 2.069 2.767 ( 1.184 -1.382 1.723) 2.506 2.853 ( 0.575 -0.004 0.988) 1.143 2.864 ( 1.006 -1.607 -0.462) 1.951 2.873 ( -1.397 1.991 -0.775) 2.553 2.929 ( 0.478 -2.452 -1.646) 2.991 3.000 ( -0.241 2.369 0.357) 2.408 3.026 ( -1.029 1.160 1.018) 1.855 3.067 ( -1.064 -1.829 2.771) 3.487 3.081 ( -0.861 1.201 -0.686) 1.629 3.098 ( 2.338 0.529 -1.192) 2.677 3.125 ( -0.482 2.767 -0.560) 2.863 3.129 ( 1.486 0.001 -3.315) 3.632 3.168 ( -1.484 0.484 2.158) 2.663 3.218 ( -1.508 -2.847 -1.037) 3.385 3.229 ( -2.213 -3.198 -1.264) 4.090 3.239 ( 0.380 2.636 -0.066) 2.664 3.283 ( 0.035 -0.161 -0.143) 0.219 3.307 ( 0.943 -1.510 0.793) 1.949 3.324 ( 0.422 -2.288 0.371) 2.356 3.382 ( -1.911 1.148 0.401) 2.265 3.395 ( 1.479 0.257 -0.118) 1.506 3.443 ( -1.265 2.538 0.194) 2.842 3.474 ( 0.495 -0.023 -0.854) 0.988 3.578 ( -0.873 0.052 0.072) 0.878 3.603 ( -0.207 -2.360 0.989) 2.567 3.705 ( 0.202 0.862 -1.911) 2.106 3.715 ( -0.259 -0.268 -0.171) 0.410 3.768 ( 0.316 1.491 0.732) 1.691 3.780 ( 0.704 1.774 -0.190) 1.918 3.811 ( 1.673 0.822 1.166) 2.199 3.861 ( 0.081 -2.285 -2.540) 3.417 3.888 ( 0.392 0.219 1.579) 1.642 3.919 ( 0.865 -0.682 2.735) 2.949 3.953 ( 1.072 0.111 2.283) 2.525 3.957 ( -0.023 -1.046 -0.083) 1.049 3.987 ( -0.689 0.732 -0.087) 1.009 4.006 ( 0.830 0.146 -0.066) 0.846 4.024 ( -1.325 -0.736 -0.366) 1.560 4.053 ( -1.995 -1.564 0.606) 2.606 4.111 ( -0.043 0.036 -0.327) 0.332 4.124 ( 0.039 -1.482 -1.071) 1.829 4.156 ( 0.125 1.401 -0.204) 1.421 4.213 ( 0.264 -3.896 0.420) 3.927 4.582 ( 1.325 1.127 0.539) 1.821 4.626 ( -0.896 -2.159 -0.965) 2.529 4.684 ( 0.177 0.603 0.991) 1.174 4.698 ( 0.311 -0.090 0.106) 0.340 4.956 ( 0.105 0.570 1.236) 1.365 4.970 ( 0.367 -0.675 1.621) 1.794 5.063 ( 0.430 0.783 -1.022) 1.357 5.079 ( 1.507 -0.647 -0.890) 1.866 5.146 ( 0.007 3.911 0.472) 3.940 5.234 ( -0.385 -3.725 1.116) 3.907 5.332 ( 0.543 4.517 -3.084) 5.496 5.387 ( 0.327 0.634 -4.119) 4.180 5.579 ( -0.261 3.628 6.638) 7.570 5.732 ( -0.535 -8.272 2.541) 8.670 6.071 ( -1.052 5.578 -1.827) 5.963 6.143 ( -1.003 -1.987 -2.282) 3.187 ======================= Grid point 29 (17/36) ======================= q-point: ( 0.14 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 8.151 10.119 1.941) 13.138 0.520 ( 8.476 6.837 7.415) 13.175 0.658 ( -3.310 -3.720 3.720) 6.216 0.686 ( 3.090 -9.197 0.522) 9.716 0.756 ( -4.990 -0.129 1.657) 5.259 0.815 ( 0.068 -6.316 1.673) 6.535 0.932 ( 3.041 7.745 0.316) 8.326 1.023 ( -0.461 -2.372 -4.304) 4.936 1.065 ( 3.323 5.649 -1.873) 6.816 1.115 ( 3.060 -0.531 -5.995) 6.752 1.156 ( 2.321 4.966 -1.774) 5.762 1.188 ( 1.974 2.581 -3.862) 5.047 1.217 ( 4.689 -0.246 -3.062) 5.605 1.294 ( 1.045 5.764 -0.139) 5.859 1.345 ( 3.003 -0.546 0.298) 3.067 1.392 ( 0.710 2.174 -3.075) 3.832 1.423 ( 0.330 3.737 2.837) 4.704 1.440 ( 3.206 -4.542 -1.254) 5.699 1.449 ( -2.080 3.094 0.526) 3.765 1.486 ( -2.821 -6.428 -1.155) 7.114 1.538 ( 0.574 -2.650 -0.824) 2.834 1.560 ( -1.871 -3.015 2.252) 4.202 1.608 ( -0.108 -1.710 -0.581) 1.809 1.622 ( 0.140 -4.296 1.307) 4.493 1.663 ( 1.435 0.568 4.122) 4.402 1.699 ( 0.327 -1.398 1.083) 1.799 1.726 ( 1.928 -1.706 -1.501) 2.980 1.735 ( -2.797 -2.779 1.226) 4.129 1.746 ( 5.469 0.111 2.106) 5.862 1.802 ( 3.598 -2.725 1.946) 4.915 1.831 ( 2.508 1.426 -0.454) 2.921 1.850 ( 1.966 0.562 2.805) 3.471 1.875 ( 1.791 3.211 2.944) 4.710 1.894 ( 1.614 -1.799 0.760) 2.533 1.921 ( -2.410 -0.657 -0.380) 2.526 1.947 ( 0.685 -1.580 3.183) 3.619 1.976 ( 1.935 -0.695 1.735) 2.690 1.999 ( 1.190 0.894 -0.511) 1.574 2.024 ( 3.834 -0.898 1.718) 4.296 2.117 ( 0.525 -4.802 -1.287) 4.999 2.135 ( 2.184 4.150 0.205) 4.695 2.182 ( 0.749 3.316 -1.116) 3.578 2.198 ( 0.754 3.701 0.497) 3.810 2.228 ( 1.621 0.647 -1.357) 2.211 2.231 ( 2.324 1.636 -4.115) 5.001 2.280 ( 2.059 -1.642 -1.812) 3.196 2.306 ( 3.450 -0.829 -1.504) 3.854 2.339 ( 3.651 -0.922 -2.792) 4.688 2.386 ( 4.279 0.172 0.983) 4.394 2.417 ( 1.363 1.056 2.529) 3.061 2.426 ( 5.001 -0.736 -0.851) 5.126 2.499 ( 2.338 -4.412 1.642) 5.256 2.553 ( 2.704 3.798 -2.423) 5.254 2.564 ( 3.035 0.454 -2.056) 3.694 2.601 ( 2.523 -1.214 1.248) 3.066 2.622 ( 2.883 -2.178 -0.237) 3.621 2.660 ( 4.337 0.934 0.063) 4.437 2.669 ( 2.509 -0.146 -1.181) 2.777 2.717 ( 1.446 2.360 -0.762) 2.871 2.760 ( 1.164 -0.172 -1.139) 1.638 2.784 ( 3.713 2.540 2.292) 5.049 2.807 ( 2.471 -0.608 2.320) 3.444 2.842 ( 0.129 0.966 -2.028) 2.250 2.885 ( 1.168 0.766 -0.581) 1.513 2.891 ( 1.033 -0.636 -5.931) 6.053 2.942 ( 0.845 -1.975 -1.775) 2.787 3.009 ( -0.584 1.003 2.379) 2.647 3.015 ( 1.276 0.194 2.249) 2.593 3.042 ( 0.895 1.961 1.529) 2.643 3.060 ( 0.443 0.395 1.625) 1.730 3.112 ( -1.185 1.856 -2.153) 3.079 3.135 ( 0.057 -0.202 -2.925) 2.933 3.164 ( 0.410 1.794 0.146) 1.846 3.177 ( 2.330 -0.334 -1.020) 2.565 3.204 ( 0.252 -2.784 0.279) 2.809 3.211 ( 1.241 -1.604 -0.787) 2.175 3.267 ( 1.058 0.395 1.024) 1.524 3.284 ( 0.350 1.560 -0.127) 1.604 3.296 ( -2.209 -0.284 0.702) 2.335 3.327 ( 1.068 1.745 1.313) 2.431 3.353 ( -0.799 -2.794 0.220) 2.915 3.395 ( 0.049 -3.943 -1.228) 4.130 3.445 ( 1.422 2.781 1.110) 3.315 3.491 ( 1.142 -0.884 -1.117) 1.826 3.581 ( 0.626 -0.532 -0.007) 0.821 3.604 ( -0.113 -1.963 0.164) 1.973 3.683 ( -2.469 0.098 -0.053) 2.472 3.685 ( -2.010 0.153 -0.908) 2.211 3.763 ( -0.922 2.718 0.011) 2.870 3.777 ( -1.233 2.356 0.995) 2.839 3.818 ( -1.292 0.884 0.656) 1.698 3.842 ( -2.481 0.720 -2.136) 3.352 3.875 ( -1.401 -2.578 0.403) 2.961 3.899 ( -3.132 -1.152 1.260) 3.567 3.930 ( -1.808 0.065 0.191) 1.819 3.948 ( -0.879 0.570 0.691) 1.255 3.954 ( -3.201 -1.030 0.400) 3.386 3.993 ( -1.353 -2.082 0.491) 2.531 4.002 ( -0.499 0.054 1.243) 1.340 4.015 ( -1.172 -0.741 0.523) 1.482 4.107 ( -0.261 -0.010 -0.704) 0.751 4.118 ( -0.407 -1.127 -1.269) 1.745 4.145 ( -1.071 1.565 -0.596) 1.988 4.185 ( -2.081 -1.684 0.567) 2.736 4.572 ( -3.399 0.235 -0.823) 3.505 4.591 ( -2.052 -1.960 0.064) 2.838 4.660 ( -2.312 0.273 0.565) 2.396 4.675 ( -2.454 -0.638 0.859) 2.677 5.010 ( 3.950 0.660 0.193) 4.009 5.029 ( 3.977 -1.152 0.638) 4.189 5.094 ( 2.302 1.803 1.269) 3.187 5.113 ( 0.910 0.486 2.166) 2.400 5.198 ( 2.295 2.993 -2.619) 4.591 5.249 ( 2.979 -1.609 0.865) 3.494 5.336 ( 0.886 0.276 -2.960) 3.102 5.361 ( -2.736 0.064 -3.718) 4.617 5.526 ( -4.713 3.968 6.429) 8.904 5.671 ( -5.085 -7.345 1.603) 9.076 5.932 ( -10.757 6.044 -1.001) 12.380 6.001 ( -10.003 -0.649 -0.295) 10.029 ======================= Grid point 30 (18/36) ======================= q-point: ( 0.29 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -10.354 4.360 3.093) 11.653 0.559 ( -4.821 1.519 -2.927) 5.841 0.636 ( 1.985 -0.955 0.260) 2.219 0.691 ( -1.940 -2.745 -1.303) 3.605 0.749 ( 10.240 5.818 5.830) 13.142 0.892 ( 6.035 -4.163 -0.332) 7.339 0.992 ( 4.934 -2.734 -3.283) 6.527 1.034 ( 1.400 -3.570 -2.065) 4.356 1.092 ( -0.454 4.198 -1.520) 4.488 1.161 ( 0.016 -1.486 -3.581) 3.877 1.219 ( 1.134 2.206 -1.213) 2.761 1.244 ( 2.402 0.636 -1.176) 2.749 1.295 ( -0.522 3.023 -1.907) 3.612 1.332 ( 2.337 2.461 -0.898) 3.511 1.341 ( -3.216 1.425 -3.729) 5.126 1.377 ( -3.469 0.569 -0.875) 3.623 1.408 ( 1.788 0.663 -1.182) 2.244 1.444 ( -0.445 4.409 1.815) 4.789 1.475 ( 4.015 -4.454 2.375) 6.450 1.486 ( 0.055 -0.287 1.062) 1.101 1.529 ( -1.664 2.873 1.155) 3.515 1.559 ( 1.787 0.017 -0.626) 1.893 1.590 ( -0.735 0.814 2.114) 2.381 1.613 ( 1.972 -1.612 0.152) 2.551 1.661 ( -1.619 -1.627 0.947) 2.483 1.682 ( -0.738 -1.379 1.306) 2.038 1.741 ( -0.183 -4.945 0.999) 5.048 1.764 ( 0.170 -0.971 -1.105) 1.481 1.823 ( 0.855 1.467 -1.078) 2.012 1.831 ( 1.265 0.649 0.095) 1.425 1.871 ( 3.256 -2.631 3.543) 5.484 1.881 ( -0.620 -1.637 3.431) 3.851 1.892 ( 0.163 1.013 -0.307) 1.071 1.943 ( 0.475 -1.543 2.798) 3.230 1.966 ( 3.223 -0.825 2.240) 4.011 1.991 ( 6.667 -1.543 3.042) 7.489 2.018 ( 6.216 2.178 -1.627) 6.784 2.078 ( 5.490 -3.486 -0.773) 6.549 2.107 ( 0.006 0.049 1.780) 1.781 2.129 ( 1.605 -1.346 0.528) 2.160 2.159 ( 1.675 -0.183 2.222) 2.788 2.176 ( 1.146 -0.460 -3.646) 3.849 2.283 ( 4.874 4.138 0.903) 6.458 2.304 ( 2.708 1.246 -0.169) 2.986 2.319 ( 5.947 2.976 -1.715) 6.867 2.330 ( 3.032 -0.643 -1.994) 3.686 2.349 ( 3.422 0.394 -0.004) 3.445 2.421 ( 2.127 0.852 1.112) 2.547 2.434 ( 1.548 -0.554 1.842) 2.469 2.489 ( 3.390 0.056 -1.386) 3.663 2.521 ( 2.517 0.027 -0.177) 2.523 2.548 ( 2.161 -2.444 2.044) 3.849 2.612 ( 3.476 1.284 -1.821) 4.129 2.643 ( 1.208 0.863 1.152) 1.879 2.660 ( 4.948 -0.916 -1.998) 5.414 2.670 ( 2.788 -2.597 -1.791) 4.209 2.739 ( 5.461 0.853 2.352) 6.007 2.747 ( 2.705 1.879 0.645) 3.356 2.762 ( 5.391 0.730 -1.584) 5.667 2.800 ( 0.847 -0.462 -1.784) 2.028 2.839 ( 3.517 2.096 1.116) 4.244 2.872 ( 2.460 1.374 -0.803) 2.930 2.878 ( 3.756 -0.842 -1.280) 4.057 2.912 ( 2.694 -0.805 -1.401) 3.142 2.929 ( 2.263 1.079 0.338) 2.530 2.961 ( 1.398 -2.264 -0.322) 2.680 3.009 ( 1.027 0.421 -0.206) 1.129 3.037 ( 1.972 -1.469 -0.152) 2.464 3.064 ( -1.612 -0.473 0.865) 1.889 3.084 ( -0.081 -1.501 0.839) 1.722 3.123 ( 3.539 2.853 -1.890) 4.923 3.134 ( 1.723 0.996 -1.987) 2.812 3.170 ( 1.204 1.019 -0.370) 1.620 3.201 ( -0.101 -0.441 -1.161) 1.246 3.226 ( 0.953 -0.714 3.072) 3.295 3.232 ( 0.810 1.435 0.770) 1.819 3.252 ( -0.395 -0.533 -0.155) 0.681 3.284 ( -0.355 -1.987 0.512) 2.082 3.313 ( 0.996 0.353 -1.104) 1.528 3.332 ( 2.907 -0.419 -1.001) 3.103 3.394 ( 2.566 -0.819 1.992) 3.350 3.406 ( 0.675 -1.261 0.564) 1.538 3.483 ( 0.475 1.998 1.171) 2.364 3.514 ( 1.288 -0.703 -1.284) 1.950 3.573 ( -1.991 -0.608 -0.518) 2.145 3.585 ( -2.076 -1.223 -0.603) 2.484 3.633 ( -3.094 0.809 -0.882) 3.317 3.643 ( -1.001 -0.172 -0.933) 1.379 3.703 ( -3.730 1.519 1.840) 4.428 3.726 ( -5.524 -0.471 2.315) 6.008 3.759 ( -3.283 3.591 0.635) 4.907 3.789 ( -2.119 2.403 0.669) 3.272 3.830 ( -1.608 -0.978 -2.375) 3.031 3.856 ( -1.895 -0.777 -1.617) 2.610 3.879 ( -3.599 -0.640 -0.535) 3.694 3.897 ( -1.161 -2.136 0.184) 2.438 3.934 ( -0.540 0.563 -0.350) 0.855 3.959 ( -1.240 -1.699 -0.631) 2.196 3.996 ( -0.651 0.211 1.858) 1.980 4.002 ( -0.465 0.009 1.022) 1.123 4.102 ( -0.213 0.328 -0.866) 0.950 4.111 ( -0.304 -0.319 -1.115) 1.199 4.128 ( -0.313 0.086 -0.957) 1.010 4.149 ( -1.442 -0.945 0.279) 1.746 4.481 ( -4.936 1.711 -0.332) 5.234 4.524 ( -4.263 -2.525 0.358) 4.968 4.601 ( -3.429 0.430 0.061) 3.456 4.616 ( -3.130 -0.767 0.764) 3.312 5.052 ( -0.074 -0.023 0.016) 0.079 5.053 ( -0.561 -0.014 1.157) 1.285 5.153 ( 0.181 4.383 0.895) 4.477 5.169 ( 1.186 1.715 -0.766) 2.222 5.182 ( 3.320 0.604 1.092) 3.547 5.288 ( -3.625 -3.104 -0.789) 4.837 5.316 ( 0.756 -0.727 0.481) 1.154 5.370 ( 1.522 -2.888 -1.896) 3.775 5.432 ( -3.468 4.684 6.110) 8.444 5.549 ( -6.928 -6.109 2.988) 9.708 5.747 ( -6.301 5.188 -3.950) 9.068 5.815 ( -7.042 -1.155 -2.646) 7.611 ======================= Grid point 31 (19/36) ======================= q-point: ( 0.43 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -5.511 4.946 1.760) 7.611 0.412 ( -6.230 -3.813 -0.355) 7.313 0.623 ( -0.671 5.557 -4.717) 7.320 0.741 ( 3.586 -4.542 -8.479) 10.266 0.944 ( 6.231 3.125 3.545) 7.820 0.976 ( 1.496 0.920 1.875) 2.569 1.045 ( -1.796 1.204 1.043) 2.400 1.072 ( -0.625 0.488 -1.053) 1.318 1.101 ( 1.602 -2.866 -1.388) 3.565 1.138 ( 3.420 -5.148 -1.963) 6.485 1.214 ( -1.244 3.651 -1.028) 3.992 1.263 ( 1.563 -1.704 -0.519) 2.370 1.272 ( -1.255 1.286 -1.985) 2.678 1.319 ( -1.138 -0.976 -3.666) 3.960 1.322 ( 0.694 0.444 -1.016) 1.308 1.331 ( -0.865 1.334 -1.283) 2.043 1.409 ( -1.903 2.234 0.864) 3.059 1.434 ( -1.978 -0.603 1.852) 2.776 1.483 ( 0.133 2.773 0.736) 2.872 1.507 ( 0.269 3.725 1.470) 4.014 1.511 ( -1.269 -0.531 2.876) 3.189 1.549 ( -0.314 0.574 -0.108) 0.664 1.601 ( 2.329 -2.338 4.093) 5.257 1.632 ( 0.088 0.486 0.887) 1.016 1.642 ( -3.694 -4.951 0.394) 6.190 1.712 ( 2.612 -0.852 1.332) 3.053 1.726 ( -0.635 -1.288 -1.900) 2.381 1.756 ( 0.006 0.643 -0.920) 1.122 1.789 ( -0.351 1.282 -1.757) 2.203 1.822 ( -1.855 -1.031 -1.049) 2.368 1.876 ( -0.624 -0.428 -1.386) 1.579 1.900 ( -3.842 -3.132 0.108) 4.958 1.946 ( 1.383 -0.430 2.801) 3.153 1.966 ( 4.149 -2.117 4.939) 6.788 2.037 ( 3.544 4.576 1.293) 5.930 2.100 ( -0.036 1.436 0.527) 1.530 2.110 ( 1.849 1.922 1.313) 2.972 2.118 ( 2.005 0.181 0.787) 2.162 2.154 ( 5.801 1.898 -2.455) 6.579 2.191 ( 4.890 -3.338 0.637) 5.954 2.215 ( 3.129 -2.006 -2.774) 4.638 2.255 ( 4.890 -3.586 0.580) 6.092 2.293 ( -0.660 1.738 -1.174) 2.199 2.314 ( -0.965 1.092 0.653) 1.597 2.385 ( -3.521 3.459 0.877) 5.013 2.397 ( 4.387 4.716 2.884) 7.058 2.421 ( 1.287 2.658 1.863) 3.492 2.456 ( 1.832 -1.557 3.249) 4.042 2.473 ( 1.632 -1.233 2.225) 3.023 2.499 ( -1.216 -4.051 1.431) 4.465 2.543 ( -1.282 -1.187 1.602) 2.370 2.568 ( 2.497 -3.435 0.775) 4.317 2.631 ( -0.600 1.101 -1.275) 1.789 2.668 ( 0.884 -1.756 -1.802) 2.667 2.690 ( -1.334 1.724 -2.312) 3.177 2.726 ( 0.693 -0.758 -4.247) 4.369 2.783 ( 1.977 1.544 -1.931) 3.166 2.829 ( 1.547 -1.399 -1.687) 2.683 2.837 ( 0.087 1.607 0.773) 1.785 2.861 ( 2.428 -1.067 1.727) 3.165 2.876 ( 0.297 1.026 0.551) 1.202 2.900 ( -0.302 -0.290 0.486) 0.642 2.938 ( 0.270 1.086 0.330) 1.166 2.962 ( 0.205 -1.061 0.376) 1.144 3.001 ( 4.546 1.952 0.369) 4.961 3.031 ( 3.698 -1.473 0.488) 4.010 3.041 ( 4.529 -1.782 -1.111) 4.992 3.064 ( 1.663 -2.538 0.079) 3.035 3.090 ( 1.689 1.164 -3.075) 3.696 3.105 ( 3.406 -0.582 -0.548) 3.498 3.143 ( 0.647 1.808 -2.032) 2.796 3.192 ( 2.702 -1.270 -2.295) 3.766 3.217 ( 1.020 0.865 1.426) 1.955 3.230 ( 2.196 0.305 2.050) 3.020 3.233 ( 1.752 1.191 -1.809) 2.786 3.255 ( 0.967 -0.205 2.627) 2.807 3.263 ( 0.891 -1.621 -0.861) 2.040 3.280 ( 2.146 0.264 -0.104) 2.165 3.355 ( 2.013 0.940 -0.501) 2.277 3.390 ( 1.436 -1.003 -0.001) 1.752 3.407 ( -1.250 -0.173 1.217) 1.753 3.422 ( -1.434 -0.587 1.016) 1.853 3.445 ( -1.186 2.110 1.688) 2.951 3.482 ( -3.494 -1.425 0.802) 3.858 3.511 ( -3.507 -0.101 1.037) 3.659 3.529 ( -3.337 -1.377 -0.571) 3.655 3.577 ( -1.003 1.851 -0.303) 2.127 3.604 ( -3.701 -0.465 -0.615) 3.781 3.646 ( -0.761 -0.221 0.144) 0.806 3.649 ( -1.728 -0.078 1.188) 2.099 3.720 ( -1.065 3.702 -0.967) 3.972 3.742 ( -2.002 3.472 0.566) 4.048 3.804 ( -2.314 -1.438 -1.414) 3.070 3.827 ( -0.075 -1.299 0.579) 1.425 3.841 ( 0.186 0.647 -2.138) 2.241 3.881 ( -0.782 -3.144 -0.282) 3.252 3.925 ( -0.245 1.296 -1.361) 1.895 3.946 ( -0.472 -0.222 -1.246) 1.351 3.984 ( -0.141 1.335 0.884) 1.608 3.997 ( 0.163 0.239 0.063) 0.296 4.100 ( 0.009 0.662 -0.976) 1.180 4.107 ( -0.011 -0.131 -0.882) 0.892 4.127 ( -0.413 -0.343 0.087) 0.544 4.131 ( 0.192 -0.805 -0.297) 0.880 4.407 ( -1.632 2.093 1.406) 3.003 4.454 ( -1.793 -2.152 1.239) 3.063 4.537 ( -2.418 0.867 -0.650) 2.650 4.560 ( -2.121 -1.192 -0.440) 2.472 5.033 ( -0.464 1.943 1.066) 2.264 5.057 ( -0.017 -0.825 0.003) 0.825 5.108 ( -0.888 2.509 -1.074) 2.870 5.161 ( -3.273 -0.477 -1.398) 3.591 5.232 ( 0.839 -1.245 1.641) 2.224 5.268 ( 0.603 -3.152 1.648) 3.607 5.297 ( -1.304 0.002 1.093) 1.701 5.352 ( -2.832 -2.751 2.394) 4.617 5.414 ( 1.197 1.038 2.675) 3.109 5.436 ( -3.205 -0.516 3.506) 4.778 5.684 ( -0.260 4.466 -4.780) 6.547 5.749 ( -0.247 -1.510 -4.997) 5.226 ======================= Grid point 32 (20/36) ======================= q-point: (-0.43 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 5.946 1.672 2.173) 6.547 0.393 ( 5.035 -4.279 -1.562) 6.790 0.645 ( 2.637 7.017 -3.958) 8.477 0.758 ( -2.278 -2.672 -7.366) 8.161 0.896 ( -8.214 0.529 2.296) 8.545 0.937 ( -3.207 -2.010 0.059) 3.785 1.056 ( 2.395 0.907 -0.717) 2.659 1.076 ( 0.692 -0.803 0.684) 1.262 1.114 ( -1.791 2.184 -1.200) 3.068 1.175 ( -0.566 -3.570 -1.829) 4.051 1.223 ( 0.900 2.512 -3.091) 4.084 1.241 ( -2.375 -0.227 -0.717) 2.491 1.283 ( -1.503 1.859 2.839) 3.712 1.321 ( 4.659 1.549 0.884) 4.989 1.345 ( -0.796 -1.999 0.263) 2.168 1.367 ( 3.683 -1.113 -2.609) 4.649 1.402 ( 0.923 -0.003 -1.863) 2.079 1.414 ( 1.236 -0.458 0.980) 1.643 1.461 ( 1.200 1.976 2.097) 3.121 1.483 ( 0.788 1.066 1.777) 2.217 1.523 ( -0.127 2.398 0.559) 2.466 1.565 ( -0.649 2.629 -0.341) 2.729 1.587 ( -1.089 2.295 -1.546) 2.974 1.618 ( -1.216 -1.009 0.687) 1.723 1.669 ( -1.410 -1.938 1.389) 2.770 1.691 ( 4.003 -2.653 4.429) 6.533 1.734 ( -2.238 -0.755 -2.106) 3.164 1.754 ( -1.128 -2.463 -1.004) 2.889 1.798 ( 1.241 0.617 0.191) 1.398 1.799 ( -0.870 -0.648 -1.743) 2.053 1.836 ( -1.224 -2.073 -1.255) 2.715 1.869 ( 0.267 -4.591 0.337) 4.611 1.916 ( -4.264 3.310 2.027) 5.766 1.997 ( -2.241 -1.958 3.053) 4.263 2.003 ( -5.694 -0.422 -0.667) 5.748 2.046 ( -3.861 -2.326 1.411) 4.723 2.128 ( 1.948 4.550 2.193) 5.413 2.186 ( -3.227 4.027 -0.574) 5.193 2.201 ( 1.164 1.016 -0.175) 1.555 2.215 ( -0.423 2.887 0.886) 3.049 2.277 ( -1.754 -0.421 1.252) 2.196 2.304 ( 2.402 -0.445 -1.739) 2.999 2.311 ( 0.079 2.158 -0.443) 2.204 2.324 ( 0.354 0.032 1.066) 1.124 2.335 ( -2.344 -3.606 2.819) 5.142 2.395 ( 0.568 -2.179 0.575) 2.324 2.423 ( -2.507 -0.118 3.128) 4.011 2.445 ( 0.688 -3.542 2.718) 4.517 2.489 ( 1.137 1.954 1.754) 2.861 2.501 ( -0.115 -0.715 3.789) 3.857 2.536 ( -0.503 1.654 1.429) 2.243 2.581 ( -2.474 -1.159 -0.890) 2.873 2.623 ( -0.627 0.624 -1.125) 1.431 2.632 ( -2.535 0.782 -3.682) 4.538 2.661 ( -1.959 -0.511 -2.253) 3.029 2.700 ( -2.710 -1.411 -4.118) 5.128 2.782 ( -2.237 1.926 -1.566) 3.342 2.797 ( -1.900 0.065 -0.184) 1.910 2.825 ( -1.931 1.479 -0.811) 2.564 2.860 ( -2.105 -0.763 0.263) 2.255 2.877 ( -0.800 -0.511 0.413) 1.035 2.895 ( -2.966 -0.507 -0.309) 3.025 2.918 ( -1.333 -0.205 -0.393) 1.405 2.933 ( -0.639 -1.534 0.022) 1.662 2.998 ( -4.217 0.869 -0.252) 4.313 3.003 ( -2.523 -0.909 0.182) 2.688 3.054 ( -3.298 0.410 -1.172) 3.524 3.063 ( -3.467 -1.015 -0.792) 3.698 3.110 ( -0.902 0.535 -1.808) 2.090 3.133 ( -3.412 -0.395 -0.602) 3.487 3.168 ( -1.638 -0.302 -0.003) 1.665 3.174 ( -1.778 -1.480 0.279) 2.331 3.228 ( 0.026 -0.216 1.135) 1.156 3.254 ( 0.788 1.718 -0.919) 2.101 3.261 ( -0.496 -2.162 1.188) 2.516 3.274 ( 0.230 0.447 0.221) 0.549 3.313 ( 0.130 1.606 1.405) 2.137 3.324 ( 1.665 0.051 -0.153) 1.673 3.338 ( 0.164 -0.630 0.401) 0.765 3.361 ( -0.160 -2.259 1.763) 2.869 3.411 ( 0.860 2.106 1.026) 2.496 3.427 ( -1.842 1.618 1.634) 2.946 3.449 ( 2.652 2.465 0.599) 3.670 3.483 ( 2.869 -0.806 1.450) 3.314 3.492 ( 1.021 -0.264 0.008) 1.054 3.525 ( 4.664 -1.786 -0.947) 5.083 3.567 ( 0.800 0.239 -0.684) 1.079 3.591 ( 1.933 -0.957 -0.681) 2.262 3.637 ( 0.835 -0.400 0.995) 1.359 3.640 ( 0.093 -0.833 -0.581) 1.020 3.697 ( -0.876 3.625 -1.209) 3.920 3.718 ( -0.217 2.752 -1.086) 2.966 3.792 ( 1.787 -1.120 -1.104) 2.380 3.831 ( 0.363 -3.272 -0.131) 3.294 3.843 ( 0.335 1.701 -1.472) 2.274 3.878 ( 0.631 -0.982 -0.171) 1.179 3.923 ( -0.061 0.866 -1.555) 1.781 3.934 ( -0.514 0.685 -1.261) 1.524 3.993 ( 0.595 1.283 0.752) 1.602 4.013 ( 1.392 -0.609 0.545) 1.614 4.100 ( 0.060 0.814 -0.810) 1.150 4.111 ( 0.330 -0.175 -0.917) 0.990 4.125 ( 0.299 0.354 -0.087) 0.471 4.140 ( 0.493 -1.067 0.124) 1.181 4.430 ( 3.658 1.831 2.383) 4.734 4.469 ( 2.922 -1.688 1.911) 3.878 4.518 ( 0.632 1.155 -1.510) 2.003 4.548 ( 1.259 -1.440 -0.999) 2.157 5.034 ( 0.059 0.870 -0.228) 0.901 5.052 ( 0.149 -0.277 1.062) 1.108 5.111 ( -0.125 1.148 -0.652) 1.326 5.141 ( 2.317 -0.623 -1.793) 2.995 5.237 ( -0.198 -1.192 1.524) 1.945 5.251 ( -0.441 -2.045 0.768) 2.229 5.285 ( -0.457 0.231 1.138) 1.248 5.313 ( -1.920 -1.139 2.342) 3.236 5.407 ( 0.200 3.418 3.023) 4.567 5.477 ( 4.732 -3.858 2.183) 6.484 5.716 ( 3.543 3.660 -3.328) 6.085 5.768 ( 1.957 -1.100 -4.323) 4.871 ======================= Grid point 33 (21/36) ======================= q-point: (-0.29 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 7.893 2.720 2.470) 8.706 0.538 ( 5.660 -2.203 -1.724) 6.313 0.676 ( -2.750 3.902 -1.231) 4.930 0.692 ( -4.500 0.939 3.327) 5.674 0.720 ( -3.146 2.370 2.492) 4.661 0.866 ( -4.576 -8.653 -2.603) 10.129 1.050 ( -2.696 2.367 0.335) 3.603 1.065 ( 0.488 -0.409 -0.859) 1.069 1.124 ( -0.260 3.449 -4.083) 5.351 1.163 ( -0.581 0.010 -4.231) 4.271 1.199 ( -0.641 1.274 0.716) 1.596 1.219 ( -1.282 0.416 -1.334) 1.896 1.268 ( 0.831 -0.779 -0.181) 1.153 1.297 ( -1.506 -2.682 -0.656) 3.145 1.353 ( -2.871 3.174 -0.514) 4.310 1.415 ( 0.233 0.050 -3.401) 3.409 1.456 ( 0.002 1.745 0.262) 1.765 1.464 ( 3.192 1.492 1.392) 3.788 1.496 ( -1.140 2.628 -3.101) 4.222 1.506 ( 2.300 2.812 1.142) 3.808 1.536 ( 2.812 1.142 0.234) 3.044 1.558 ( 0.311 -2.509 -2.591) 3.620 1.574 ( -2.129 1.761 1.440) 3.115 1.602 ( 0.959 -1.969 1.753) 2.806 1.641 ( -4.357 -2.658 0.069) 5.104 1.669 ( 1.627 1.794 -0.336) 2.446 1.688 ( -6.714 -0.704 1.388) 6.892 1.716 ( -2.497 -2.362 1.633) 3.805 1.765 ( -2.084 -4.165 1.097) 4.785 1.790 ( -2.066 -6.404 0.928) 6.793 1.806 ( -0.803 3.884 1.692) 4.312 1.848 ( -0.197 1.067 -0.232) 1.109 1.891 ( -1.578 -1.433 1.170) 2.431 1.927 ( -2.055 -3.986 2.831) 5.304 1.944 ( -0.774 -1.783 1.537) 2.479 1.957 ( -3.630 -3.280 0.324) 4.904 2.111 ( -3.852 1.104 -0.213) 4.013 2.122 ( -3.635 2.374 -1.076) 4.473 2.151 ( -3.981 1.466 1.266) 4.427 2.171 ( -5.338 -1.327 1.892) 5.816 2.224 ( 0.426 4.370 -0.042) 4.391 2.236 ( -3.648 -0.251 3.955) 5.387 2.280 ( -2.471 -0.637 -0.194) 2.559 2.314 ( -1.440 -0.925 1.434) 2.233 2.348 ( -3.050 2.034 -1.673) 4.030 2.374 ( -2.697 0.381 0.650) 2.800 2.397 ( -3.522 -1.038 1.058) 3.821 2.405 ( -2.297 1.319 1.080) 2.861 2.452 ( -4.007 4.112 0.693) 5.783 2.480 ( -2.159 -1.373 0.164) 2.564 2.517 ( -3.230 -0.678 0.975) 3.442 2.552 ( -0.592 -2.082 0.860) 2.329 2.582 ( -0.911 2.789 -2.395) 3.788 2.613 ( -5.412 0.890 -1.728) 5.750 2.620 ( -0.349 -1.063 -2.088) 2.368 2.637 ( -0.441 -1.409 -1.717) 2.264 2.720 ( -2.832 0.899 -2.217) 3.707 2.740 ( -4.064 -1.224 1.275) 4.431 2.757 ( -3.611 0.987 -1.300) 3.962 2.776 ( -5.492 -1.067 -2.647) 6.189 2.791 ( -4.784 1.214 0.188) 4.939 2.820 ( -4.611 -0.811 0.068) 4.682 2.876 ( -1.766 2.123 -1.279) 3.043 2.912 ( -1.662 0.793 -1.191) 2.194 2.952 ( -1.456 -0.195 -0.523) 1.559 2.962 ( -3.369 0.622 -0.404) 3.450 2.996 ( -1.170 -1.193 -0.557) 1.761 3.010 ( 1.143 -1.269 1.090) 2.026 3.069 ( -1.556 0.923 -1.169) 2.154 3.084 ( -0.795 -1.454 0.978) 1.924 3.118 ( -2.660 -1.107 -0.580) 2.939 3.128 ( -1.674 -1.856 0.403) 2.531 3.195 ( -2.318 1.466 -1.015) 2.924 3.240 ( -0.942 -0.837 0.318) 1.300 3.256 ( -0.134 1.623 2.053) 2.620 3.277 ( -0.915 1.581 -0.429) 1.876 3.306 ( -2.443 -0.114 1.339) 2.788 3.320 ( -2.068 -1.415 -0.534) 2.562 3.342 ( 1.488 -0.494 0.758) 1.742 3.353 ( -3.118 1.884 1.668) 4.006 3.361 ( -1.010 -1.929 2.008) 2.962 3.395 ( -1.030 -0.962 2.044) 2.483 3.453 ( -1.131 3.354 -0.644) 3.598 3.530 ( -1.235 -3.640 -2.526) 4.600 3.590 ( 5.030 0.332 0.614) 5.078 3.607 ( 4.054 0.258 -0.805) 4.141 3.612 ( 3.494 -0.724 0.379) 3.588 3.630 ( 1.918 -0.810 -2.203) 3.031 3.674 ( 0.809 1.453 0.924) 1.902 3.694 ( 1.974 -0.018 0.491) 2.034 3.714 ( 3.620 1.295 -0.014) 3.844 3.737 ( 4.854 -0.185 -0.708) 4.909 3.834 ( 0.842 1.450 -1.472) 2.232 3.870 ( 3.565 -1.621 -0.536) 3.952 3.878 ( 3.304 0.541 -0.350) 3.366 3.897 ( 0.931 0.150 -0.151) 0.955 3.918 ( 0.300 -0.346 -1.052) 1.147 3.934 ( 0.364 -0.436 -0.331) 0.657 4.007 ( 1.053 1.779 1.241) 2.411 4.044 ( 1.461 -1.403 1.371) 2.446 4.103 ( 0.273 0.706 -1.032) 1.279 4.116 ( 0.237 -0.686 -1.243) 1.440 4.138 ( 0.986 -0.106 0.041) 0.992 4.149 ( 0.461 -1.091 0.307) 1.223 4.523 ( 3.236 0.737 -0.397) 3.343 4.533 ( 4.106 0.563 1.242) 4.326 4.567 ( 3.960 0.498 0.112) 3.993 4.602 ( 3.556 -1.681 0.108) 3.935 5.042 ( 0.616 -0.419 1.001) 1.248 5.050 ( -0.052 -1.208 -0.078) 1.211 5.124 ( -3.750 2.026 0.232) 4.269 5.147 ( 0.319 1.406 -0.662) 1.587 5.216 ( -2.226 0.666 2.054) 3.101 5.271 ( 2.687 -2.356 -0.807) 3.663 5.285 ( -1.825 0.463 -0.464) 1.939 5.290 ( 1.995 0.228 -1.577) 2.553 5.441 ( 3.531 5.660 3.809) 7.682 5.589 ( 5.728 -7.999 2.737) 10.212 5.832 ( 6.810 2.003 -2.173) 7.424 5.839 ( 7.043 0.955 -1.475) 7.259 ======================= Grid point 34 (22/36) ======================= q-point: (-0.14 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -8.245 9.419 2.962) 12.864 0.533 ( -7.290 8.042 7.162) 13.004 0.610 ( 3.939 -0.441 1.781) 4.346 0.735 ( 0.387 -7.836 2.447) 8.218 0.755 ( 3.573 -3.814 0.467) 5.247 0.772 ( -1.270 -6.944 -0.367) 7.069 0.933 ( -8.660 10.119 6.622) 14.874 1.067 ( -2.234 -1.735 -3.680) 4.642 1.109 ( -0.595 4.114 -1.423) 4.394 1.120 ( -1.492 1.985 -7.170) 7.588 1.173 ( -2.209 -1.048 -7.003) 7.418 1.229 ( 0.219 6.364 -0.009) 6.367 1.260 ( -2.485 -0.627 0.847) 2.699 1.276 ( -2.301 0.844 -6.143) 6.614 1.306 ( 1.396 3.658 -1.980) 4.387 1.384 ( -6.067 -2.283 -1.166) 6.586 1.406 ( -0.590 -0.600 -1.053) 1.348 1.449 ( 0.969 1.691 3.072) 3.638 1.473 ( -0.439 -1.334 1.122) 1.797 1.487 ( -2.558 1.208 0.091) 2.830 1.535 ( -3.632 -5.792 -0.386) 6.847 1.558 ( -1.037 -5.114 2.815) 5.929 1.575 ( 1.628 3.352 -0.795) 3.810 1.594 ( 0.663 -1.519 0.275) 1.680 1.639 ( 1.915 -2.598 0.600) 3.283 1.667 ( 2.192 -1.941 -0.925) 3.070 1.687 ( -1.554 -2.524 1.591) 3.364 1.711 ( -0.862 -3.698 1.823) 4.212 1.745 ( 3.292 -1.508 -0.685) 3.685 1.766 ( -0.740 -3.404 0.792) 3.573 1.776 ( -2.467 2.743 3.105) 4.822 1.826 ( 0.153 -2.812 1.837) 3.362 1.847 ( -1.841 2.269 -0.235) 2.932 1.863 ( -0.031 1.117 1.732) 2.061 1.894 ( -3.178 -1.129 0.931) 3.499 1.955 ( -1.591 -4.495 0.734) 4.824 2.019 ( -2.784 3.187 1.608) 4.527 2.057 ( -2.490 3.395 0.889) 4.303 2.109 ( -0.774 2.866 0.353) 2.990 2.132 ( 0.367 -3.477 -0.442) 3.524 2.185 ( -4.530 0.471 2.176) 5.048 2.204 ( -1.196 3.936 -2.322) 4.724 2.220 ( -2.533 0.513 -0.739) 2.688 2.243 ( -4.272 0.920 -2.010) 4.810 2.275 ( -4.245 -0.327 1.016) 4.377 2.297 ( -2.689 -0.037 0.068) 2.691 2.302 ( -4.486 1.748 0.349) 4.827 2.345 ( -4.154 0.939 -0.255) 4.266 2.385 ( -0.403 -0.573 -0.800) 1.064 2.410 ( -4.754 -0.198 -0.287) 4.767 2.481 ( -4.098 -0.345 -0.208) 4.117 2.494 ( -2.432 -1.613 3.303) 4.408 2.537 ( -3.284 0.083 -1.557) 3.635 2.552 ( 1.324 -0.979 -0.715) 1.796 2.593 ( -2.018 0.912 -2.045) 3.014 2.607 ( -4.969 1.902 -1.355) 5.491 2.621 ( -2.646 0.343 0.808) 2.788 2.662 ( -4.591 -0.665 -5.177) 6.951 2.712 ( -1.277 1.087 -2.108) 2.694 2.726 ( -0.534 -0.660 -1.677) 1.880 2.749 ( 0.407 1.110 0.914) 1.494 2.773 ( -1.518 0.276 2.927) 3.309 2.851 ( -0.291 -0.176 -0.239) 0.416 2.862 ( -2.044 -0.821 -0.320) 2.226 2.905 ( -1.867 1.287 -1.958) 2.996 2.928 ( -0.455 -0.424 -2.091) 2.181 3.006 ( 1.112 1.313 1.496) 2.280 3.036 ( -0.650 2.035 0.848) 2.298 3.062 ( 0.767 0.084 0.866) 1.160 3.067 ( -0.188 -1.377 -0.383) 1.442 3.094 ( 0.381 -1.707 -0.427) 1.801 3.112 ( -0.849 -1.409 -1.661) 2.337 3.165 ( -1.685 1.462 -1.265) 2.564 3.204 ( -1.422 -0.535 -0.366) 1.563 3.228 ( -2.318 1.182 -1.250) 2.887 3.250 ( -1.326 1.594 2.142) 2.981 3.263 ( 0.140 0.030 0.344) 0.372 3.289 ( -0.345 -0.590 0.062) 0.686 3.316 ( -1.177 -1.042 1.433) 2.127 3.341 ( -2.911 -3.246 0.875) 4.447 3.366 ( 0.591 -0.454 1.732) 1.885 3.387 ( 1.011 -2.196 -0.688) 2.513 3.445 ( 0.567 2.692 0.409) 2.781 3.490 ( -1.741 -1.517 -1.500) 2.754 3.605 ( -1.146 0.240 0.125) 1.177 3.620 ( -1.182 -1.490 1.185) 2.242 3.681 ( 1.907 0.737 -2.022) 2.875 3.695 ( 2.116 -0.542 -1.409) 2.599 3.719 ( 3.837 1.600 0.019) 4.158 3.747 ( 4.021 -0.230 2.600) 4.794 3.777 ( 1.251 2.207 0.919) 2.698 3.839 ( 3.400 -2.298 -0.805) 4.182 3.853 ( 1.794 2.864 -1.747) 3.804 3.901 ( 0.649 1.514 1.109) 1.986 3.921 ( 1.167 -2.193 0.551) 2.545 3.943 ( 1.642 -1.383 0.399) 2.183 3.953 ( 3.386 0.084 -0.145) 3.390 3.965 ( 2.578 -0.862 -0.634) 2.791 4.032 ( 0.843 1.666 0.982) 2.109 4.067 ( 0.561 -1.278 1.469) 2.026 4.108 ( 0.203 0.194 -0.857) 0.902 4.120 ( 0.198 -1.193 -1.206) 1.708 4.151 ( 0.262 -0.129 0.195) 0.351 4.175 ( 2.225 -2.139 0.513) 3.129 4.558 ( 1.228 2.397 -0.927) 2.849 4.612 ( 2.400 -2.371 -0.327) 3.389 4.644 ( 3.425 1.409 1.079) 3.857 4.669 ( 2.616 -0.758 0.734) 2.821 5.008 ( -4.323 0.590 0.585) 4.402 5.027 ( -4.043 -1.114 0.337) 4.208 5.069 ( -0.273 0.521 0.882) 1.060 5.085 ( -1.974 -0.953 1.671) 2.756 5.190 ( -3.718 3.321 -0.874) 5.062 5.249 ( -0.494 0.229 -0.831) 0.993 5.305 ( 1.656 1.195 -3.142) 3.748 5.352 ( 3.039 0.172 -3.244) 4.449 5.532 ( 4.283 4.345 5.657) 8.320 5.691 ( 4.089 -8.646 2.564) 9.902 5.983 ( 8.118 4.365 -1.133) 9.286 6.026 ( 9.594 0.001 0.008) 9.594 ======================= Grid point 42 (23/36) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -1.334 0.000 14.868) 14.928 0.594 ( 1.588 0.000 15.287) 15.369 0.771 ( -4.367 0.000 6.220) 7.600 0.791 ( 8.501 0.000 -1.860) 8.702 0.801 ( -0.750 0.000 -9.580) 9.609 0.804 ( -2.063 0.000 -4.057) 4.551 0.914 ( 0.524 0.000 0.161) 0.548 0.936 ( -2.740 0.000 -8.905) 9.317 0.943 ( -0.242 0.000 -0.790) 0.826 0.988 ( -0.147 0.000 -0.323) 0.355 1.080 ( -2.211 0.000 1.199) 2.515 1.108 ( -1.388 0.000 -3.090) 3.388 1.114 ( -0.692 0.000 5.097) 5.144 1.177 ( 5.146 0.000 1.620) 5.395 1.196 ( -0.902 0.000 -6.015) 6.082 1.299 ( -1.924 0.000 -5.669) 5.986 1.380 ( 1.310 0.000 3.593) 3.825 1.408 ( -0.259 0.000 -0.391) 0.469 1.487 ( -2.668 0.000 3.256) 4.210 1.526 ( 3.130 0.000 1.326) 3.400 1.575 ( 1.491 0.000 -0.042) 1.491 1.601 ( 1.052 0.000 -1.485) 1.819 1.619 ( -1.547 0.000 -3.609) 3.926 1.693 ( -0.409 0.000 2.766) 2.796 1.706 ( 0.249 0.000 -5.089) 5.095 1.726 ( 2.872 0.000 5.971) 6.625 1.745 ( 2.239 0.000 -3.187) 3.895 1.769 ( -1.096 0.000 1.189) 1.617 1.780 ( -2.619 0.000 1.372) 2.956 1.788 ( -0.858 0.000 -1.577) 1.796 1.827 ( -1.049 0.000 -2.842) 3.029 1.833 ( 0.566 0.000 -2.639) 2.699 1.889 ( 1.004 0.000 3.071) 3.231 1.899 ( 6.040 0.000 -0.298) 6.048 1.932 ( -2.082 0.000 2.222) 3.045 1.942 ( 2.446 0.000 0.355) 2.472 1.982 ( -5.415 0.000 -3.031) 6.206 1.987 ( -0.798 0.000 -1.626) 1.811 2.066 ( -2.836 0.000 4.296) 5.148 2.085 ( 1.748 0.000 2.190) 2.802 2.093 ( 0.887 0.000 2.964) 3.094 2.127 ( 0.684 0.000 3.700) 3.763 2.169 ( 0.260 0.000 -2.888) 2.900 2.189 ( -4.252 0.000 3.689) 5.629 2.205 ( 1.958 0.000 2.415) 3.109 2.254 ( 0.820 0.000 -1.526) 1.732 2.292 ( -0.832 0.000 -1.536) 1.747 2.298 ( -0.011 0.000 -1.646) 1.646 2.362 ( -1.915 0.000 -2.439) 3.101 2.362 ( -1.065 0.000 -1.644) 1.959 2.399 ( -2.212 0.000 2.443) 3.296 2.440 ( 3.414 0.000 -0.978) 3.551 2.501 ( -0.346 0.000 1.348) 1.391 2.507 ( 2.894 0.000 -0.138) 2.897 2.562 ( 1.848 0.000 0.408) 1.892 2.586 ( 0.121 0.000 -1.440) 1.445 2.600 ( 0.242 0.000 -1.129) 1.154 2.610 ( -2.229 0.000 -3.498) 4.148 2.686 ( 0.755 0.000 0.416) 0.862 2.710 ( -0.500 0.000 0.121) 0.515 2.765 ( 1.099 0.000 0.464) 1.193 2.786 ( -0.621 0.000 -1.965) 2.060 2.805 ( 0.999 0.000 3.215) 3.367 2.858 ( 0.367 0.000 -1.657) 1.697 2.882 ( 1.979 0.000 -0.131) 1.983 2.917 ( -0.799 0.000 -2.203) 2.344 2.953 ( -4.095 0.000 3.291) 5.254 2.959 ( -1.399 0.000 0.418) 1.460 3.015 ( 1.359 0.000 -4.354) 4.561 3.029 ( 2.631 0.000 -4.795) 5.470 3.082 ( -0.417 0.000 1.417) 1.477 3.103 ( -0.404 0.000 -0.612) 0.734 3.197 ( 0.600 0.000 1.587) 1.697 3.209 ( 0.139 0.000 1.948) 1.953 3.235 ( -0.998 0.000 -0.484) 1.109 3.236 ( 0.964 0.000 2.346) 2.536 3.294 ( -6.017 0.000 1.267) 6.149 3.306 ( 0.898 0.000 2.442) 2.602 3.340 ( 0.806 0.000 -2.106) 2.255 3.341 ( -0.347 0.000 -0.782) 0.856 3.378 ( -1.396 0.000 0.236) 1.416 3.384 ( 1.649 0.000 -0.601) 1.755 3.410 ( 0.948 0.000 1.538) 1.807 3.442 ( 0.587 0.000 -1.481) 1.593 3.577 ( -0.124 0.000 0.849) 0.858 3.617 ( 0.211 0.000 -3.212) 3.219 3.694 ( -1.265 0.000 2.590) 2.882 3.730 ( 0.257 0.000 -0.733) 0.777 3.757 ( 2.154 0.000 0.090) 2.156 3.760 ( -2.041 0.000 -0.087) 2.042 3.839 ( -0.021 0.000 3.098) 3.098 3.888 ( 1.411 0.000 -1.787) 2.277 3.889 ( 1.601 0.000 0.457) 1.665 3.913 ( -1.472 0.000 -1.658) 2.217 3.965 ( -0.549 0.000 1.893) 1.971 3.988 ( 1.678 0.000 0.416) 1.728 4.013 ( -1.637 0.000 0.826) 1.833 4.017 ( 1.690 0.000 0.689) 1.825 4.051 ( 1.089 0.000 0.372) 1.151 4.063 ( -1.602 0.000 -0.638) 1.724 4.097 ( 0.041 0.000 -0.172) 0.177 4.107 ( -0.021 0.000 -1.354) 1.354 4.167 ( -0.829 0.000 1.735) 1.923 4.221 ( -0.518 0.000 -3.336) 3.376 4.626 ( 4.766 0.000 0.900) 4.851 4.638 ( -3.311 0.000 -0.387) 3.334 4.692 ( 0.878 0.000 0.704) 1.126 4.698 ( -0.708 0.000 0.060) 0.710 4.973 ( 0.063 0.000 1.969) 1.970 5.014 ( -0.350 0.000 -2.443) 2.468 5.016 ( -0.084 0.000 2.408) 2.410 5.059 ( 0.567 0.000 -2.093) 2.168 5.121 ( -0.457 0.000 2.188) 2.235 5.164 ( 0.600 0.000 -2.263) 2.341 5.325 ( -0.289 0.000 -0.186) 0.344 5.347 ( 1.216 0.000 -2.346) 2.642 5.663 ( 0.350 0.000 6.017) 6.027 5.759 ( -1.472 0.000 -4.034) 4.294 6.043 ( -0.713 0.000 4.176) 4.237 6.112 ( 0.058 0.000 -3.400) 3.400 ======================= Grid point 43 (24/36) ======================= q-point: ( 0.14 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -1.543 0.000 10.615) 10.727 0.681 ( 5.724 0.000 11.671) 12.999 0.723 ( -1.550 0.000 -4.352) 4.620 0.730 ( -5.816 0.000 -2.468) 6.318 0.771 ( -1.486 0.000 0.465) 1.557 0.836 ( -6.523 0.000 0.149) 6.525 0.943 ( 6.187 0.000 0.665) 6.223 0.945 ( 4.428 0.000 -7.864) 9.025 1.045 ( 7.767 0.000 -4.448) 8.950 1.047 ( 5.838 0.000 -0.965) 5.917 1.090 ( 0.289 0.000 1.868) 1.891 1.092 ( -0.314 0.000 -1.173) 1.214 1.139 ( 4.542 0.000 4.326) 6.273 1.219 ( 0.528 0.000 -3.961) 3.996 1.312 ( 7.260 0.000 7.230) 10.246 1.322 ( 5.405 0.000 -4.271) 6.889 1.392 ( -0.478 0.000 3.828) 3.858 1.407 ( -0.459 0.000 -3.327) 3.359 1.456 ( -0.216 0.000 -0.591) 0.629 1.557 ( -1.408 0.000 -0.342) 1.449 1.563 ( 0.815 0.000 1.303) 1.537 1.584 ( -3.865 0.000 -0.594) 3.910 1.649 ( 3.172 0.000 -3.177) 4.489 1.656 ( -2.005 0.000 0.808) 2.161 1.671 ( -3.127 0.000 1.750) 3.584 1.727 ( -1.084 0.000 -0.886) 1.400 1.728 ( -4.240 0.000 -1.660) 4.553 1.770 ( 3.201 0.000 -4.207) 5.286 1.803 ( -1.592 0.000 -1.898) 2.477 1.807 ( 2.512 0.000 2.719) 3.702 1.812 ( 3.555 0.000 -3.595) 5.056 1.837 ( -0.882 0.000 0.700) 1.126 1.880 ( 2.735 0.000 -0.787) 2.846 1.941 ( 0.320 0.000 -1.210) 1.251 1.965 ( 1.388 0.000 -1.610) 2.125 1.973 ( 2.174 0.000 2.783) 3.531 2.009 ( 2.024 0.000 4.263) 4.719 2.038 ( 6.695 0.000 -2.624) 7.190 2.094 ( 7.606 0.000 1.692) 7.792 2.109 ( 0.983 0.000 2.015) 2.242 2.140 ( 1.744 0.000 -0.507) 1.816 2.148 ( 0.526 0.000 4.297) 4.329 2.161 ( 3.873 0.000 4.188) 5.704 2.240 ( -0.280 0.000 5.193) 5.200 2.265 ( 2.763 0.000 3.338) 4.333 2.274 ( 4.229 0.000 -2.135) 4.737 2.324 ( 4.444 0.000 -0.180) 4.447 2.328 ( 5.040 0.000 -1.720) 5.326 2.372 ( 0.659 0.000 -2.326) 2.418 2.389 ( -0.040 0.000 -0.428) 0.430 2.437 ( 6.159 0.000 -0.204) 6.163 2.488 ( 1.874 0.000 1.184) 2.217 2.554 ( 4.014 0.000 -2.273) 4.613 2.554 ( 2.786 0.000 -0.033) 2.786 2.568 ( 0.286 0.000 -4.717) 4.726 2.624 ( 3.477 0.000 2.617) 4.352 2.655 ( 4.738 0.000 -3.397) 5.830 2.659 ( 5.901 0.000 0.033) 5.901 2.673 ( -0.229 0.000 -1.473) 1.491 2.699 ( 1.029 0.000 -0.723) 1.258 2.775 ( 0.218 0.000 -2.233) 2.243 2.784 ( 0.614 0.000 1.123) 1.280 2.850 ( 1.331 0.000 3.158) 3.427 2.868 ( -1.089 0.000 -2.574) 2.795 2.903 ( 2.586 0.000 2.127) 3.348 2.903 ( 1.483 0.000 -3.414) 3.722 2.948 ( 2.836 0.000 0.456) 2.872 2.965 ( 1.015 0.000 -0.427) 1.101 3.035 ( -0.298 0.000 -3.889) 3.900 3.051 ( -0.162 0.000 -1.568) 1.576 3.118 ( 2.844 0.000 0.575) 2.902 3.122 ( 1.405 0.000 -0.959) 1.701 3.155 ( -2.155 0.000 4.418) 4.916 3.195 ( 0.166 0.000 -0.932) 0.947 3.226 ( -0.152 0.000 1.135) 1.145 3.250 ( 1.505 0.000 1.657) 2.238 3.291 ( -1.727 0.000 2.193) 2.792 3.308 ( 1.940 0.000 1.270) 2.318 3.325 ( 1.115 0.000 -0.009) 1.115 3.331 ( -0.424 0.000 1.966) 2.011 3.401 ( -1.274 0.000 0.528) 1.379 3.411 ( 0.521 0.000 -0.143) 0.540 3.418 ( 3.222 0.000 0.439) 3.252 3.450 ( 0.843 0.000 -2.392) 2.536 3.595 ( 1.444 0.000 0.078) 1.447 3.624 ( 0.255 0.000 -2.767) 2.778 3.654 ( -2.572 0.000 1.728) 3.098 3.690 ( -3.877 0.000 0.107) 3.878 3.726 ( -1.721 0.000 -0.744) 1.875 3.770 ( -1.410 0.000 0.993) 1.725 3.798 ( -3.489 0.000 1.316) 3.729 3.858 ( -2.539 0.000 -3.100) 4.007 3.861 ( -4.019 0.000 -0.922) 4.123 3.905 ( -0.118 0.000 0.813) 0.821 3.936 ( -2.874 0.000 -0.072) 2.875 3.972 ( -3.119 0.000 -0.926) 3.254 3.974 ( -1.653 0.000 1.108) 1.990 4.016 ( -2.381 0.000 -0.445) 2.422 4.039 ( -0.009 0.000 0.017) 0.019 4.046 ( -1.237 0.000 1.660) 2.071 4.092 ( -0.516 0.000 -0.204) 0.554 4.102 ( -0.137 0.000 -1.043) 1.052 4.146 ( -1.178 0.000 1.943) 2.272 4.195 ( -1.480 0.000 -1.084) 1.835 4.551 ( -4.714 0.000 -0.973) 4.814 4.657 ( -3.195 0.000 -0.454) 3.228 4.669 ( -0.572 0.000 -0.085) 0.578 4.671 ( -2.986 0.000 0.837) 3.101 5.012 ( 2.659 0.000 1.228) 2.929 5.041 ( 2.117 0.000 -1.547) 2.623 5.086 ( 5.704 0.000 2.112) 6.083 5.095 ( 0.254 0.000 -2.453) 2.466 5.124 ( 1.148 0.000 1.818) 2.150 5.228 ( 7.015 0.000 -2.318) 7.388 5.313 ( -0.454 0.000 -1.568) 1.632 5.355 ( -0.040 0.000 -2.543) 2.543 5.608 ( -5.126 0.000 6.528) 8.301 5.655 ( -7.547 0.000 -2.865) 8.073 5.940 ( -9.169 0.000 4.235) 10.100 6.008 ( -9.182 0.000 -1.062) 9.243 ======================= Grid point 44 (25/36) ======================= q-point: ( 0.29 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -4.192 0.000 0.401) 4.211 0.532 ( -11.940 0.000 5.077) 12.974 0.682 ( -6.882 0.000 -2.017) 7.171 0.703 ( -4.422 0.000 -1.916) 4.819 0.776 ( 6.337 0.000 -2.186) 6.704 0.854 ( 7.998 0.000 7.572) 11.014 1.050 ( 0.055 0.000 -2.694) 2.695 1.061 ( 4.423 0.000 0.053) 4.423 1.077 ( 5.561 0.000 -4.726) 7.298 1.095 ( 2.594 0.000 -1.281) 2.893 1.156 ( 3.456 0.000 -2.850) 4.480 1.179 ( 4.763 0.000 -0.816) 4.832 1.216 ( -0.037 0.000 -1.698) 1.698 1.243 ( 1.927 0.000 3.711) 4.182 1.353 ( -5.451 0.000 -1.868) 5.762 1.375 ( 0.075 0.000 2.374) 2.375 1.414 ( -0.188 0.000 2.075) 2.084 1.420 ( 3.240 0.000 3.905) 5.074 1.468 ( 1.394 0.000 -3.604) 3.864 1.500 ( -1.900 0.000 -2.380) 3.045 1.535 ( -0.733 0.000 -0.259) 0.778 1.604 ( -2.225 0.000 -1.118) 2.490 1.605 ( -4.215 0.000 -0.003) 4.215 1.661 ( 2.641 0.000 -2.208) 3.442 1.665 ( 1.661 0.000 2.040) 2.631 1.676 ( 5.616 0.000 4.812) 7.396 1.741 ( -1.264 0.000 -5.174) 5.326 1.784 ( -2.442 0.000 0.356) 2.468 1.790 ( -2.595 0.000 2.115) 3.348 1.822 ( 0.762 0.000 1.391) 1.585 1.829 ( 3.476 0.000 1.137) 3.657 1.891 ( 1.862 0.000 -3.290) 3.780 1.954 ( -0.266 0.000 0.504) 0.570 1.974 ( 4.146 0.000 -3.053) 5.149 2.011 ( 5.958 0.000 2.162) 6.338 2.053 ( 4.640 0.000 -3.671) 5.917 2.093 ( 4.540 0.000 3.788) 5.913 2.100 ( 1.532 0.000 0.036) 1.532 2.131 ( -0.347 0.000 1.223) 1.272 2.151 ( -0.648 0.000 1.051) 1.234 2.209 ( 5.230 0.000 -2.533) 5.811 2.230 ( -0.699 0.000 4.073) 4.133 2.241 ( 3.591 0.000 3.629) 5.105 2.268 ( 7.554 0.000 0.461) 7.568 2.314 ( 3.192 0.000 1.465) 3.512 2.350 ( 0.929 0.000 5.666) 5.742 2.370 ( -0.451 0.000 2.845) 2.880 2.393 ( 3.326 0.000 -0.541) 3.370 2.434 ( 5.565 0.000 -1.285) 5.711 2.493 ( 10.235 0.000 -2.307) 10.492 2.527 ( 2.424 0.000 0.754) 2.538 2.548 ( 2.358 0.000 -2.802) 3.663 2.582 ( 3.564 0.000 -0.147) 3.567 2.628 ( 1.478 0.000 -3.271) 3.590 2.629 ( 3.870 0.000 -0.751) 3.942 2.679 ( -1.108 0.000 -2.558) 2.788 2.684 ( 2.587 0.000 1.345) 2.915 2.737 ( 5.364 0.000 -1.047) 5.465 2.755 ( 5.067 0.000 -1.853) 5.395 2.796 ( 3.538 0.000 -0.622) 3.592 2.841 ( 3.572 0.000 2.246) 4.219 2.846 ( 7.284 0.000 -1.570) 7.451 2.866 ( 1.086 0.000 3.912) 4.060 2.884 ( 2.633 0.000 -1.137) 2.868 2.922 ( 1.945 0.000 -4.752) 5.134 2.969 ( -0.618 0.000 -3.501) 3.556 2.991 ( 4.620 0.000 1.403) 4.828 3.007 ( 2.959 0.000 -0.728) 3.048 3.035 ( 2.544 0.000 0.472) 2.588 3.041 ( 0.083 0.000 -2.424) 2.425 3.144 ( 1.054 0.000 0.398) 1.126 3.161 ( 0.944 0.000 0.395) 1.024 3.166 ( 0.789 0.000 2.116) 2.258 3.200 ( -0.006 0.000 0.443) 0.443 3.240 ( 1.566 0.000 4.219) 4.500 3.276 ( 0.538 0.000 3.309) 3.353 3.299 ( 0.149 0.000 -1.483) 1.491 3.302 ( 3.407 0.000 -0.238) 3.416 3.341 ( 1.287 0.000 1.025) 1.646 3.351 ( -2.325 0.000 1.790) 2.934 3.378 ( 0.762 0.000 -0.271) 0.809 3.460 ( 4.157 0.000 -1.688) 4.486 3.463 ( 0.973 0.000 1.419) 1.720 3.476 ( 1.058 0.000 0.633) 1.232 3.586 ( -4.916 0.000 -0.842) 4.988 3.595 ( -2.582 0.000 -1.132) 2.819 3.604 ( -3.852 0.000 -0.237) 3.859 3.614 ( -0.642 0.000 -0.346) 0.729 3.701 ( -0.228 0.000 -1.912) 1.926 3.703 ( -4.187 0.000 0.502) 4.217 3.729 ( -2.592 0.000 -1.609) 3.051 3.756 ( -5.953 0.000 0.262) 5.959 3.824 ( -1.227 0.000 -1.640) 2.048 3.852 ( -5.300 0.000 0.629) 5.338 3.870 ( -3.059 0.000 -0.179) 3.064 3.924 ( -0.803 0.000 0.018) 0.803 3.942 ( -1.226 0.000 -0.917) 1.531 3.985 ( -0.924 0.000 0.130) 0.933 3.994 ( -3.314 0.000 -0.393) 3.337 4.020 ( -2.012 0.000 1.140) 2.313 4.081 ( -0.422 0.000 0.018) 0.423 4.107 ( 0.132 0.000 -0.233) 0.268 4.126 ( -0.582 0.000 -0.055) 0.585 4.168 ( -1.295 0.000 0.282) 1.326 4.464 ( -3.633 0.000 0.631) 3.687 4.579 ( -4.294 0.000 -1.230) 4.467 4.587 ( -4.845 0.000 1.336) 5.026 4.625 ( -3.296 0.000 -0.408) 3.321 5.035 ( 0.010 0.000 -0.670) 0.670 5.052 ( -1.302 0.000 1.116) 1.714 5.083 ( -0.780 0.000 -0.998) 1.267 5.141 ( 0.390 0.000 -1.187) 1.249 5.221 ( 5.861 0.000 2.738) 6.469 5.294 ( -0.148 0.000 -0.813) 0.826 5.362 ( 1.194 0.000 -1.970) 2.304 5.393 ( 6.481 0.000 -2.151) 6.828 5.510 ( -3.607 0.000 8.009) 8.783 5.527 ( -3.718 0.000 -5.640) 6.755 5.713 ( -12.548 0.000 4.214) 13.237 5.796 ( -10.745 0.000 -0.991) 10.790 ======================= Grid point 45 (26/36) ======================= q-point: ( 0.43 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -6.481 0.000 4.746) 8.033 0.374 ( -2.540 0.000 -4.629) 5.280 0.553 ( -4.850 0.000 1.805) 5.176 0.635 ( -1.157 0.000 -6.342) 6.446 0.940 ( 8.557 0.000 -2.777) 8.996 0.999 ( 4.741 0.000 2.856) 5.534 1.030 ( -0.553 0.000 1.306) 1.419 1.082 ( -2.501 0.000 0.121) 2.504 1.150 ( -3.309 0.000 0.357) 3.329 1.157 ( 0.018 0.000 0.543) 0.543 1.196 ( 3.658 0.000 -1.305) 3.884 1.198 ( 1.207 0.000 -1.599) 2.004 1.266 ( 0.022 0.000 3.036) 3.036 1.279 ( 1.580 0.000 -1.874) 2.451 1.289 ( 4.956 0.000 -5.263) 7.229 1.331 ( -4.220 0.000 2.384) 4.847 1.371 ( -0.110 0.000 0.054) 0.123 1.440 ( -1.936 0.000 -1.476) 2.434 1.468 ( -0.101 0.000 0.769) 0.776 1.476 ( -0.869 0.000 4.287) 4.374 1.524 ( -1.407 0.000 -0.426) 1.470 1.570 ( -3.093 0.000 -1.146) 3.298 1.594 ( 2.050 0.000 -2.393) 3.151 1.663 ( -3.258 0.000 -3.949) 5.120 1.686 ( 2.831 0.000 1.898) 3.408 1.720 ( -2.681 0.000 -0.012) 2.681 1.743 ( 0.131 0.000 2.346) 2.350 1.763 ( 0.276 0.000 3.834) 3.844 1.779 ( 5.707 0.000 -3.586) 6.740 1.832 ( 0.753 0.000 -0.724) 1.045 1.881 ( -2.017 0.000 0.472) 2.072 1.908 ( -2.990 0.000 0.375) 3.014 1.991 ( -0.841 0.000 -0.838) 1.187 1.994 ( 4.591 0.000 -1.597) 4.861 2.057 ( 1.901 0.000 4.575) 4.954 2.089 ( -0.206 0.000 0.044) 0.210 2.136 ( 0.618 0.000 -2.811) 2.878 2.148 ( -0.811 0.000 5.035) 5.100 2.155 ( 1.420 0.000 0.501) 1.506 2.179 ( 2.597 0.000 2.019) 3.290 2.227 ( 4.402 0.000 -2.998) 5.326 2.303 ( -1.222 0.000 1.601) 2.014 2.327 ( 2.603 0.000 3.798) 4.604 2.332 ( 5.122 0.000 -0.923) 5.204 2.360 ( 2.229 0.000 0.777) 2.361 2.372 ( -2.054 0.000 5.689) 6.048 2.413 ( 2.624 0.000 3.246) 4.174 2.434 ( 5.025 0.000 -2.463) 5.596 2.544 ( 1.821 0.000 0.280) 1.842 2.558 ( 1.997 0.000 1.307) 2.387 2.581 ( -1.920 0.000 -1.945) 2.733 2.594 ( 0.066 0.000 -3.624) 3.625 2.616 ( -0.082 0.000 0.844) 0.848 2.666 ( -2.674 0.000 -0.695) 2.762 2.670 ( 1.708 0.000 -0.738) 1.861 2.678 ( -0.714 0.000 -1.840) 1.974 2.723 ( 6.419 0.000 -3.929) 7.526 2.783 ( -2.842 0.000 -0.097) 2.844 2.837 ( 3.223 0.000 1.096) 3.404 2.866 ( 3.333 0.000 -0.717) 3.409 2.881 ( 2.151 0.000 1.404) 2.569 2.913 ( 1.594 0.000 -1.897) 2.478 2.930 ( 1.347 0.000 -1.785) 2.236 2.954 ( 3.523 0.000 -1.757) 3.937 2.966 ( 0.521 0.000 2.866) 2.913 3.027 ( 2.684 0.000 -1.740) 3.199 3.052 ( 4.588 0.000 -0.576) 4.624 3.060 ( 1.843 0.000 1.596) 2.438 3.084 ( 1.662 0.000 -2.673) 3.147 3.097 ( -0.802 0.000 1.287) 1.516 3.149 ( 0.941 0.000 -1.218) 1.539 3.161 ( 0.532 0.000 -1.723) 1.803 3.193 ( 4.957 0.000 2.938) 5.762 3.213 ( 1.477 0.000 0.868) 1.713 3.280 ( 0.982 0.000 4.768) 4.868 3.294 ( -1.140 0.000 -3.255) 3.449 3.301 ( 0.859 0.000 2.805) 2.933 3.326 ( -1.549 0.000 0.490) 1.624 3.326 ( 0.497 0.000 1.309) 1.401 3.383 ( 2.614 0.000 -1.615) 3.073 3.420 ( 2.980 0.000 0.393) 3.005 3.456 ( -1.643 0.000 1.465) 2.202 3.462 ( -2.759 0.000 2.817) 3.943 3.513 ( -2.477 0.000 -0.098) 2.479 3.524 ( -0.709 0.000 0.354) 0.792 3.525 ( 1.699 0.000 -3.410) 3.809 3.536 ( -3.100 0.000 -0.163) 3.104 3.578 ( -2.993 0.000 -1.291) 3.259 3.638 ( -1.511 0.000 -1.313) 2.002 3.665 ( -2.240 0.000 0.263) 2.255 3.666 ( -1.540 0.000 3.050) 3.417 3.735 ( -0.683 0.000 -0.352) 0.768 3.749 ( -2.445 0.000 -3.354) 4.151 3.775 ( -2.864 0.000 -2.256) 3.646 3.856 ( 1.152 0.000 1.550) 1.931 3.915 ( -0.442 0.000 -0.562) 0.715 3.926 ( -2.906 0.000 -0.544) 2.957 3.928 ( -0.265 0.000 -1.157) 1.187 3.975 ( 0.101 0.000 -0.394) 0.407 3.978 ( -1.490 0.000 0.771) 1.677 4.078 ( 0.209 0.000 0.071) 0.221 4.095 ( -0.635 0.000 -0.448) 0.777 4.134 ( 0.869 0.000 -0.632) 1.074 4.143 ( -1.132 0.000 0.649) 1.305 4.423 ( -0.195 0.000 2.490) 2.498 4.501 ( -3.026 0.000 -1.872) 3.558 4.510 ( -1.977 0.000 1.865) 2.718 4.557 ( -2.796 0.000 -1.281) 3.075 5.017 ( -1.516 0.000 1.909) 2.437 5.040 ( 0.875 0.000 -2.603) 2.746 5.070 ( -0.242 0.000 0.432) 0.495 5.116 ( -2.087 0.000 -2.062) 2.933 5.300 ( 1.297 0.000 0.588) 1.424 5.304 ( 2.044 0.000 2.116) 2.942 5.416 ( 4.236 0.000 -1.273) 4.423 5.463 ( -0.677 0.000 1.141) 1.327 5.467 ( -5.422 0.000 5.641) 7.824 5.491 ( -4.790 0.000 7.854) 9.199 5.497 ( -0.058 0.000 -6.306) 6.306 5.642 ( -2.598 0.000 -6.605) 7.098 ======================= Grid point 46 (27/36) ======================= q-point: (-0.43 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 7.014 0.000 -1.295) 7.132 0.423 ( 7.935 0.000 -5.294) 9.539 0.525 ( 1.999 0.000 4.928) 5.318 0.636 ( 0.161 0.000 -6.781) 6.783 0.940 ( -7.603 0.000 -2.230) 7.924 0.988 ( -0.683 0.000 1.583) 1.724 1.009 ( -2.988 0.000 4.789) 5.645 1.094 ( -0.750 0.000 -1.912) 2.054 1.118 ( -4.486 0.000 3.520) 5.703 1.152 ( 3.851 0.000 1.609) 4.174 1.194 ( -1.444 0.000 -2.288) 2.706 1.217 ( -0.279 0.000 -2.266) 2.284 1.255 ( -1.939 0.000 -0.373) 1.975 1.281 ( 3.995 0.000 -3.493) 5.306 1.360 ( -2.918 0.000 -5.023) 5.810 1.367 ( 4.275 0.000 -1.262) 4.457 1.383 ( 1.534 0.000 -1.865) 2.415 1.403 ( 3.030 0.000 2.665) 4.035 1.458 ( -3.710 0.000 0.702) 3.776 1.485 ( 1.144 0.000 3.334) 3.525 1.525 ( -1.697 0.000 0.559) 1.787 1.531 ( 4.246 0.000 2.433) 4.893 1.577 ( -4.402 0.000 0.870) 4.487 1.624 ( 0.291 0.000 -0.589) 0.657 1.685 ( -0.546 0.000 1.535) 1.629 1.712 ( -0.463 0.000 0.414) 0.621 1.738 ( -0.394 0.000 -1.033) 1.106 1.786 ( -2.566 0.000 -1.099) 2.792 1.817 ( -0.812 0.000 -0.856) 1.180 1.817 ( 0.835 0.000 1.265) 1.515 1.869 ( 2.498 0.000 1.794) 3.076 1.914 ( 1.934 0.000 -1.337) 2.351 1.967 ( -1.155 0.000 -0.216) 1.175 2.003 ( -2.140 0.000 -2.047) 2.961 2.044 ( -1.212 0.000 5.397) 5.531 2.095 ( 0.364 0.000 2.299) 2.327 2.133 ( -3.568 0.000 -1.310) 3.801 2.142 ( -3.186 0.000 1.920) 3.720 2.176 ( -2.305 0.000 2.421) 3.343 2.198 ( 2.747 0.000 -0.266) 2.760 2.241 ( -2.723 0.000 -4.557) 5.308 2.276 ( -1.017 0.000 3.153) 3.313 2.318 ( -0.108 0.000 -0.610) 0.619 2.326 ( -2.151 0.000 -0.824) 2.303 2.406 ( 1.797 0.000 -1.760) 2.516 2.450 ( 1.647 0.000 -2.224) 2.768 2.480 ( -3.924 0.000 -2.382) 4.590 2.484 ( 0.124 0.000 4.516) 4.517 2.486 ( 0.900 0.000 3.353) 3.471 2.514 ( -2.400 0.000 -2.326) 3.343 2.554 ( -4.522 0.000 -0.623) 4.564 2.569 ( -1.842 0.000 3.045) 3.558 2.618 ( -0.902 0.000 1.469) 1.724 2.620 ( 2.057 0.000 -0.012) 2.057 2.671 ( -1.494 0.000 0.066) 1.496 2.673 ( -3.114 0.000 -1.328) 3.385 2.674 ( -5.054 0.000 0.332) 5.065 2.795 ( 0.069 0.000 -0.589) 0.593 2.841 ( -1.118 0.000 2.620) 2.849 2.867 ( -3.481 0.000 -2.369) 4.211 2.884 ( -3.147 0.000 -0.287) 3.160 2.903 ( -4.734 0.000 -0.144) 4.736 2.918 ( -2.125 0.000 0.407) 2.164 2.957 ( 0.182 0.000 -1.803) 1.812 2.974 ( -5.471 0.000 3.297) 6.387 2.985 ( -0.067 0.000 -0.266) 0.274 3.040 ( -2.415 0.000 0.243) 2.427 3.079 ( 0.711 0.000 -0.672) 0.978 3.104 ( -2.046 0.000 -2.212) 3.013 3.133 ( -5.611 0.000 -1.075) 5.713 3.135 ( -1.723 0.000 0.336) 1.755 3.155 ( 3.300 0.000 -2.648) 4.231 3.238 ( 1.099 0.000 0.108) 1.104 3.244 ( -2.643 0.000 -1.538) 3.058 3.252 ( -2.898 0.000 -2.324) 3.714 3.313 ( 2.314 0.000 1.316) 2.662 3.316 ( 2.470 0.000 0.023) 2.470 3.323 ( 0.997 0.000 2.031) 2.263 3.360 ( 2.146 0.000 -0.766) 2.279 3.388 ( -1.566 0.000 -0.838) 1.776 3.393 ( -3.379 0.000 1.297) 3.620 3.453 ( -0.656 0.000 3.611) 3.670 3.454 ( 0.632 0.000 2.636) 2.711 3.479 ( 0.050 0.000 -0.912) 0.914 3.528 ( 4.127 0.000 0.500) 4.157 3.531 ( 0.418 0.000 -1.005) 1.088 3.566 ( 1.771 0.000 -2.653) 3.190 3.574 ( 3.163 0.000 -0.937) 3.299 3.626 ( 0.348 0.000 -0.042) 0.351 3.641 ( -1.734 0.000 3.941) 4.305 3.670 ( 2.937 0.000 -0.472) 2.974 3.687 ( -0.291 0.000 1.438) 1.467 3.772 ( 1.863 0.000 -2.196) 2.880 3.779 ( 3.248 0.000 -2.176) 3.909 3.884 ( 1.799 0.000 1.884) 2.605 3.886 ( -0.645 0.000 -0.410) 0.764 3.902 ( -1.060 0.000 -0.007) 1.060 3.927 ( 0.479 0.000 -0.006) 0.479 3.975 ( 0.583 0.000 -0.057) 0.586 3.999 ( 2.209 0.000 -1.373) 2.601 4.090 ( 0.921 0.000 0.207) 0.944 4.091 ( 0.153 0.000 -1.115) 1.126 4.124 ( -0.696 0.000 0.351) 0.779 4.153 ( 0.980 0.000 -0.320) 1.031 4.459 ( 3.575 0.000 2.666) 4.459 4.467 ( -0.365 0.000 -2.263) 2.292 4.526 ( 3.195 0.000 2.051) 3.796 4.542 ( 1.679 0.000 -1.526) 2.268 5.010 ( 0.857 0.000 0.454) 0.970 5.068 ( 1.352 0.000 -3.336) 3.600 5.080 ( 1.283 0.000 1.894) 2.288 5.084 ( -0.702 0.000 -1.333) 1.506 5.296 ( -2.423 0.000 0.939) 2.598 5.317 ( -0.692 0.000 0.728) 1.005 5.369 ( -0.188 0.000 5.764) 5.767 5.386 ( -4.212 0.000 2.049) 4.684 5.432 ( -3.309 0.000 5.874) 6.743 5.567 ( 8.727 0.000 1.529) 8.860 5.568 ( 6.786 0.000 -5.732) 8.883 5.648 ( 1.749 0.000 -8.320) 8.502 ======================= Grid point 47 (28/36) ======================= q-point: (-0.29 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 8.356 0.000 -3.921) 9.230 0.578 ( 0.682 0.000 1.442) 1.595 0.582 ( 2.185 0.000 6.073) 6.454 0.670 ( 8.997 0.000 -1.927) 9.201 0.821 ( -4.973 0.000 1.241) 5.126 0.926 ( -3.517 0.000 2.717) 4.444 0.952 ( -3.665 0.000 -3.887) 5.342 1.059 ( 0.334 0.000 -0.267) 0.428 1.067 ( -0.700 0.000 -0.380) 0.796 1.136 ( -4.181 0.000 -2.723) 4.989 1.150 ( -3.728 0.000 -1.894) 4.182 1.180 ( -3.604 0.000 -1.037) 3.751 1.227 ( -3.461 0.000 -3.391) 4.845 1.312 ( -1.190 0.000 2.232) 2.529 1.352 ( 1.370 0.000 -7.359) 7.486 1.371 ( -3.884 0.000 3.504) 5.231 1.407 ( -1.165 0.000 -1.909) 2.236 1.435 ( 0.370 0.000 0.365) 0.520 1.443 ( -0.326 0.000 1.508) 1.543 1.507 ( 2.421 0.000 -1.136) 2.674 1.520 ( 2.294 0.000 3.653) 4.313 1.551 ( 0.850 0.000 0.785) 1.157 1.568 ( 4.040 0.000 2.066) 4.538 1.639 ( 1.228 0.000 1.998) 2.346 1.682 ( 0.435 0.000 -2.803) 2.837 1.707 ( -0.005 0.000 -0.198) 0.198 1.745 ( 0.382 0.000 1.036) 1.104 1.748 ( -6.544 0.000 6.225) 9.032 1.787 ( -3.080 0.000 2.859) 4.202 1.833 ( 1.852 0.000 -0.723) 1.988 1.859 ( 1.332 0.000 -0.329) 1.372 1.864 ( -6.758 0.000 -2.048) 7.062 1.935 ( -3.017 0.000 0.603) 3.077 1.948 ( -1.248 0.000 0.774) 1.469 2.034 ( -3.024 0.000 -2.820) 4.135 2.037 ( -4.836 0.000 -0.426) 4.855 2.075 ( -4.534 0.000 1.788) 4.874 2.127 ( -0.780 0.000 3.839) 3.917 2.130 ( 4.451 0.000 2.850) 5.285 2.149 ( -4.436 0.000 -2.305) 4.999 2.206 ( -5.269 0.000 -4.557) 6.966 2.259 ( -2.765 0.000 -0.700) 2.853 2.268 ( 0.447 0.000 1.305) 1.380 2.307 ( -1.464 0.000 -2.526) 2.919 2.370 ( -6.055 0.000 2.077) 6.401 2.379 ( -4.894 0.000 0.226) 4.899 2.381 ( -7.972 0.000 -2.236) 8.280 2.418 ( -4.476 0.000 3.093) 5.440 2.451 ( -3.169 0.000 -0.955) 3.310 2.460 ( -4.108 0.000 -0.016) 4.108 2.506 ( 0.165 0.000 -2.459) 2.465 2.526 ( -4.148 0.000 -1.293) 4.345 2.555 ( -2.006 0.000 2.472) 3.183 2.608 ( -1.133 0.000 1.126) 1.597 2.618 ( -3.069 0.000 0.395) 3.095 2.654 ( -0.211 0.000 -0.400) 0.453 2.667 ( -1.908 0.000 0.211) 1.919 2.736 ( -5.246 0.000 -0.002) 5.246 2.760 ( -3.801 0.000 -1.029) 3.937 2.786 ( -4.544 0.000 0.100) 4.545 2.812 ( -6.511 0.000 2.289) 6.902 2.847 ( -4.653 0.000 2.619) 5.339 2.850 ( 0.135 0.000 0.643) 0.657 2.871 ( -0.296 0.000 1.129) 1.167 2.912 ( -2.923 0.000 -1.636) 3.350 2.965 ( -4.524 0.000 -0.941) 4.621 2.999 ( -4.657 0.000 -1.664) 4.945 3.001 ( -1.833 0.000 -0.609) 1.932 3.037 ( -0.961 0.000 -1.896) 2.126 3.058 ( -0.412 0.000 -1.504) 1.560 3.151 ( -3.541 0.000 -1.261) 3.759 3.161 ( 1.993 0.000 1.329) 2.395 3.204 ( -1.457 0.000 -0.068) 1.459 3.212 ( -1.402 0.000 -0.834) 1.631 3.274 ( -4.231 0.000 -0.009) 4.231 3.282 ( 1.858 0.000 -3.256) 3.749 3.315 ( -2.501 0.000 1.669) 3.006 3.319 ( -0.611 0.000 2.033) 2.123 3.337 ( -0.567 0.000 -0.475) 0.740 3.357 ( -0.871 0.000 -1.228) 1.505 3.400 ( 0.957 0.000 -0.835) 1.270 3.430 ( -0.949 0.000 1.486) 1.763 3.440 ( -2.223 0.000 3.308) 3.985 3.515 ( -1.239 0.000 -2.738) 3.005 3.584 ( 2.443 0.000 -0.276) 2.459 3.587 ( 4.641 0.000 -0.980) 4.743 3.610 ( 0.728 0.000 -0.225) 0.762 3.641 ( 3.244 0.000 -2.537) 4.118 3.643 ( 4.372 0.000 1.150) 4.521 3.696 ( 4.524 0.000 1.053) 4.645 3.713 ( 1.986 0.000 1.364) 2.409 3.743 ( 5.100 0.000 1.452) 5.303 3.805 ( 0.744 0.000 0.210) 0.773 3.866 ( 4.818 0.000 -0.663) 4.863 3.888 ( 0.931 0.000 -1.597) 1.849 3.907 ( 2.093 0.000 2.196) 3.034 3.921 ( 1.271 0.000 0.407) 1.335 3.965 ( 3.023 0.000 2.041) 3.648 3.987 ( 0.733 0.000 0.059) 0.735 4.047 ( 2.168 0.000 -1.535) 2.657 4.096 ( -0.476 0.000 0.736) 0.877 4.097 ( 0.462 0.000 -1.607) 1.672 4.139 ( 2.360 0.000 -0.712) 2.466 4.170 ( 0.629 0.000 0.086) 0.635 4.481 ( 1.753 0.000 -1.329) 2.200 4.551 ( 5.054 0.000 1.821) 5.372 4.606 ( 3.880 0.000 1.619) 4.204 4.608 ( 4.153 0.000 -0.898) 4.249 5.041 ( 1.678 0.000 -1.329) 2.140 5.068 ( -0.399 0.000 -0.257) 0.475 5.079 ( -1.424 0.000 -0.972) 1.724 5.113 ( 1.429 0.000 1.894) 2.372 5.264 ( -5.081 0.000 -1.543) 5.311 5.273 ( 0.221 0.000 0.811) 0.841 5.321 ( -6.994 0.000 5.101) 8.656 5.326 ( -1.123 0.000 1.901) 2.208 5.441 ( 6.307 0.000 4.023) 7.481 5.656 ( 2.315 0.000 -7.534) 7.882 5.771 ( 10.867 0.000 1.963) 11.043 5.785 ( 11.321 0.000 -3.336) 11.802 ======================= Grid point 48 (29/36) ======================= q-point: (-0.14 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -1.077 0.000 11.491) 11.542 0.605 ( -1.243 0.000 9.058) 9.143 0.640 ( 5.727 0.000 0.409) 5.742 0.773 ( 1.885 0.000 -2.528) 3.153 0.838 ( 1.606 0.000 -0.527) 1.691 0.879 ( -1.869 0.000 -1.775) 2.578 0.897 ( 0.141 0.000 -4.128) 4.131 0.990 ( -5.188 0.000 -0.680) 5.232 1.029 ( -6.339 0.000 -0.926) 6.406 1.038 ( -4.679 0.000 -8.212) 9.451 1.111 ( -2.693 0.000 0.794) 2.807 1.116 ( 1.852 0.000 -1.558) 2.420 1.164 ( -2.461 0.000 -0.783) 2.583 1.210 ( -7.085 0.000 5.591) 9.026 1.263 ( -5.290 0.000 -8.876) 10.333 1.344 ( 1.138 0.000 3.664) 3.837 1.376 ( -4.851 0.000 -0.986) 4.950 1.434 ( -0.378 0.000 0.713) 0.807 1.473 ( 2.636 0.000 -1.431) 2.999 1.533 ( -1.776 0.000 2.480) 3.051 1.560 ( -0.158 0.000 5.258) 5.260 1.576 ( 0.601 0.000 -0.015) 0.602 1.614 ( 0.618 0.000 2.552) 2.626 1.649 ( 1.896 0.000 0.529) 1.969 1.666 ( 3.340 0.000 -1.037) 3.497 1.702 ( 1.320 0.000 -2.683) 2.990 1.738 ( 0.940 0.000 0.652) 1.144 1.748 ( -1.461 0.000 -4.759) 4.979 1.770 ( 2.962 0.000 1.062) 3.147 1.795 ( 1.736 0.000 2.723) 3.229 1.845 ( -3.612 0.000 2.614) 4.459 1.855 ( -2.319 0.000 -4.099) 4.710 1.865 ( -1.034 0.000 -1.269) 1.637 1.912 ( -0.581 0.000 2.225) 2.300 1.954 ( -3.601 0.000 -0.416) 3.625 1.988 ( -5.688 0.000 1.847) 5.981 1.998 ( 0.230 0.000 0.222) 0.320 2.082 ( -1.992 0.000 -3.045) 3.639 2.092 ( -2.105 0.000 3.643) 4.207 2.115 ( -5.593 0.000 -0.475) 5.613 2.134 ( -1.887 0.000 -1.312) 2.298 2.157 ( -5.099 0.000 4.655) 6.904 2.211 ( -3.440 0.000 2.942) 4.526 2.247 ( -4.956 0.000 -3.476) 6.053 2.266 ( -1.432 0.000 -0.851) 1.666 2.291 ( -4.339 0.000 1.745) 4.676 2.335 ( -4.395 0.000 0.754) 4.459 2.341 ( -3.231 0.000 0.668) 3.299 2.389 ( 0.257 0.000 -0.791) 0.832 2.397 ( 0.447 0.000 -5.138) 5.158 2.466 ( -4.792 0.000 -3.569) 5.975 2.466 ( -2.844 0.000 1.841) 3.388 2.489 ( -4.378 0.000 0.674) 4.430 2.546 ( -4.165 0.000 1.689) 4.494 2.568 ( -1.831 0.000 -1.126) 2.149 2.595 ( -1.560 0.000 -0.210) 1.574 2.649 ( -5.016 0.000 2.274) 5.507 2.669 ( 1.055 0.000 2.216) 2.454 2.674 ( -1.078 0.000 -0.598) 1.233 2.685 ( -3.646 0.000 -3.414) 4.995 2.749 ( 0.352 0.000 0.029) 0.353 2.813 ( -2.988 0.000 -2.812) 4.103 2.824 ( -0.279 0.000 3.215) 3.227 2.859 ( -0.569 0.000 0.292) 0.640 2.882 ( -1.554 0.000 -0.170) 1.563 2.905 ( 0.157 0.000 2.080) 2.086 2.987 ( 1.429 0.000 -2.788) 3.133 2.989 ( 0.405 0.000 -2.460) 2.493 3.026 ( -1.461 0.000 0.321) 1.496 3.029 ( -3.612 0.000 -3.812) 5.251 3.092 ( -0.321 0.000 1.752) 1.781 3.146 ( -3.200 0.000 -1.830) 3.686 3.185 ( -0.353 0.000 -0.158) 0.387 3.188 ( -0.318 0.000 0.456) 0.556 3.229 ( 0.034 0.000 3.332) 3.332 3.268 ( -0.861 0.000 -2.884) 3.010 3.296 ( -1.114 0.000 2.757) 2.974 3.323 ( 1.248 0.000 0.509) 1.348 3.340 ( -0.049 0.000 -2.596) 2.597 3.355 ( 0.947 0.000 0.628) 1.136 3.402 ( -1.037 0.000 1.508) 1.830 3.405 ( -0.078 0.000 0.269) 0.280 3.423 ( 0.359 0.000 -0.429) 0.559 3.430 ( -6.127 0.000 -2.002) 6.446 3.592 ( -1.005 0.000 0.263) 1.039 3.615 ( 0.425 0.000 -1.915) 1.962 3.689 ( 3.448 0.000 0.247) 3.457 3.699 ( 2.532 0.000 -2.013) 3.235 3.704 ( 1.459 0.000 1.244) 1.917 3.788 ( 2.625 0.000 -0.360) 2.649 3.797 ( 0.556 0.000 2.798) 2.853 3.802 ( 6.086 0.000 0.977) 6.164 3.839 ( 3.502 0.000 0.688) 3.568 3.926 ( 0.354 0.000 -1.269) 1.317 3.931 ( 3.102 0.000 1.176) 3.318 3.953 ( 2.121 0.000 0.857) 2.287 3.970 ( 3.425 0.000 0.855) 3.530 4.009 ( 1.733 0.000 0.210) 1.746 4.014 ( 1.369 0.000 2.002) 2.425 4.074 ( 0.474 0.000 -1.184) 1.276 4.092 ( 0.234 0.000 0.030) 0.236 4.105 ( 0.277 0.000 -1.762) 1.784 4.176 ( -0.047 0.000 0.770) 0.772 4.196 ( 2.817 0.000 -2.290) 3.630 4.533 ( 3.554 0.000 0.914) 3.670 4.643 ( 3.762 0.000 1.061) 3.909 4.660 ( 1.116 0.000 0.835) 1.394 4.680 ( 2.505 0.000 -0.098) 2.507 5.014 ( -3.691 0.000 1.262) 3.901 5.045 ( -1.516 0.000 -2.171) 2.648 5.060 ( -1.570 0.000 1.410) 2.110 5.113 ( -3.134 0.000 -0.927) 3.269 5.163 ( -1.913 0.000 -2.250) 2.953 5.171 ( -6.051 0.000 3.769) 7.129 5.308 ( 2.351 0.000 -1.174) 2.627 5.323 ( 0.300 0.000 0.884) 0.933 5.586 ( 6.627 0.000 4.500) 8.010 5.721 ( 3.979 0.000 -5.493) 6.783 5.967 ( 7.639 0.000 3.211) 8.286 6.005 ( 9.521 0.000 -2.644) 9.881 ======================= Grid point 49 (30/36) ======================= q-point: ( 0.00 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.489 1.393 11.748) 11.841 0.614 ( -1.680 5.354 11.951) 13.203 0.682 ( -0.611 -6.856 1.365) 7.017 0.776 ( 1.530 -3.914 4.504) 6.160 0.816 ( -0.068 -1.272 -0.244) 1.296 0.832 ( 2.618 -3.124 1.668) 4.404 0.846 ( -0.124 1.960 -7.778) 8.022 0.886 ( -2.454 0.304 -6.035) 6.521 0.909 ( -1.567 -1.697 -8.846) 9.142 0.993 ( 0.845 -5.617 -9.628) 11.179 1.140 ( -2.533 7.336 0.827) 7.805 1.151 ( -0.917 2.978 2.063) 3.737 1.185 ( 1.306 8.048 2.302) 8.472 1.234 ( -1.381 3.595 -1.789) 4.247 1.285 ( 3.156 4.178 0.157) 5.238 1.349 ( -0.424 3.500 -3.441) 4.926 1.383 ( 0.591 -2.326 3.258) 4.046 1.433 ( -0.293 -0.051 -1.268) 1.303 1.500 ( -0.544 2.367 1.150) 2.688 1.522 ( 2.015 0.715 -2.225) 3.086 1.535 ( -1.658 -2.214 4.225) 5.050 1.577 ( 0.987 -2.715 0.124) 2.891 1.611 ( 0.354 -2.056 0.280) 2.105 1.626 ( -0.283 -3.355 0.670) 3.433 1.668 ( -0.360 -3.308 1.425) 3.619 1.698 ( 0.152 -1.642 2.101) 2.671 1.722 ( 1.759 -1.628 1.481) 2.817 1.749 ( -0.161 -3.096 1.551) 3.467 1.784 ( -0.058 1.258 0.495) 1.353 1.811 ( 2.406 -1.676 -0.958) 3.085 1.835 ( -2.132 2.242 4.926) 5.817 1.843 ( 1.679 0.989 1.624) 2.537 1.885 ( -0.019 2.590 0.542) 2.646 1.905 ( 2.198 0.723 0.129) 2.317 1.918 ( -0.377 -0.175 -1.702) 1.752 1.956 ( 1.777 -1.442 -0.860) 2.444 1.976 ( -1.820 -0.755 1.017) 2.217 1.985 ( 1.222 -0.151 0.752) 1.443 2.042 ( -4.016 1.286 -1.474) 4.467 2.075 ( 0.690 0.628 -0.213) 0.957 2.101 ( -0.610 -3.078 -6.547) 7.260 2.111 ( -0.267 -0.579 -1.997) 2.096 2.143 ( -2.274 -0.781 -0.678) 2.498 2.162 ( 1.015 -1.901 -2.192) 3.074 2.191 ( -3.343 0.587 2.197) 4.043 2.228 ( 2.408 -2.389 -1.629) 3.763 2.287 ( -2.001 -1.099 2.503) 3.388 2.308 ( 0.913 -0.321 1.769) 2.017 2.362 ( -0.741 0.935 -1.556) 1.961 2.374 ( -1.421 1.581 -0.960) 2.332 2.436 ( -0.003 1.834 1.051) 2.114 2.463 ( 0.369 2.602 -1.733) 3.148 2.492 ( 2.035 -2.006 -0.112) 2.860 2.508 ( -0.769 -0.271 -1.629) 1.821 2.533 ( 0.752 -0.811 0.987) 1.483 2.575 ( -1.310 -2.890 -2.878) 4.284 2.608 ( 0.448 1.155 1.021) 1.606 2.614 ( 1.263 0.670 0.123) 1.435 2.694 ( 0.648 1.062 1.871) 2.247 2.721 ( 1.874 -0.653 -0.286) 2.005 2.770 ( -0.884 1.806 -0.332) 2.038 2.794 ( -0.610 -0.502 -0.843) 1.155 2.824 ( 0.413 2.149 1.037) 2.421 2.867 ( 0.471 -1.207 -2.815) 3.099 2.899 ( 0.417 1.866 2.854) 3.435 2.924 ( -0.003 0.038 3.444) 3.444 2.987 ( -1.347 3.227 -3.487) 4.938 3.015 ( 0.169 1.699 -2.267) 2.838 3.034 ( 0.492 2.732 -0.698) 2.862 3.056 ( 0.176 2.124 -1.873) 2.838 3.094 ( 1.548 -0.419 0.752) 1.772 3.109 ( -1.139 3.022 -0.773) 3.321 3.167 ( 0.001 -4.797 3.420) 5.892 3.182 ( -0.077 -1.829 0.091) 1.833 3.207 ( -0.485 -0.745 -0.322) 0.945 3.227 ( -1.949 -2.901 -0.650) 3.555 3.269 ( -0.535 0.524 2.314) 2.432 3.295 ( -0.183 -1.352 0.715) 1.541 3.307 ( 2.128 -0.766 -0.265) 2.277 3.322 ( -0.101 -1.605 -0.181) 1.618 3.388 ( -1.143 0.718 0.646) 1.496 3.399 ( 0.119 -0.142 0.047) 0.191 3.436 ( -0.622 2.111 -0.171) 2.208 3.453 ( 0.359 0.573 -1.446) 1.596 3.589 ( -0.396 1.078 1.214) 1.672 3.614 ( -0.215 -0.831 -0.613) 1.055 3.677 ( -0.135 -0.312 -0.177) 0.383 3.701 ( 0.685 -2.077 -1.674) 2.755 3.773 ( 2.099 1.765 -0.073) 2.743 3.777 ( -1.864 1.742 -0.294) 2.568 3.823 ( -1.133 -1.440 0.624) 1.936 3.835 ( 1.629 -2.674 -0.438) 3.161 3.923 ( 0.563 0.412 1.986) 2.105 3.939 ( 0.737 -0.426 -0.188) 0.872 3.948 ( -0.903 0.013 -0.491) 1.027 3.965 ( -0.085 -0.930 -1.777) 2.008 4.007 ( 1.221 0.148 2.798) 3.056 4.023 ( 1.755 -1.177 1.893) 2.837 4.036 ( -1.261 0.830 -0.063) 1.511 4.051 ( -1.763 -0.799 -0.893) 2.132 4.110 ( -0.424 0.714 0.563) 1.003 4.127 ( 0.539 0.894 0.481) 1.150 4.145 ( -0.724 -0.248 0.365) 0.848 4.189 ( 0.358 -2.631 -2.617) 3.728 4.595 ( 1.554 -0.716 0.817) 1.896 4.610 ( -1.274 -1.702 -0.834) 2.283 4.698 ( -0.240 0.120 0.490) 0.558 4.702 ( 0.366 0.026 0.112) 0.383 4.986 ( -0.063 0.770 1.811) 1.969 5.000 ( 0.114 -0.624 1.077) 1.250 5.041 ( 0.042 1.075 -0.776) 1.326 5.056 ( 0.810 -0.374 -1.553) 1.791 5.173 ( -0.066 4.163 2.219) 4.718 5.218 ( 0.006 2.510 -2.374) 3.455 5.301 ( 0.808 -1.900 -0.028) 2.065 5.324 ( -0.313 -1.455 -2.474) 2.887 5.697 ( 0.153 3.376 5.775) 6.692 5.761 ( -0.650 -1.398 -0.639) 1.669 6.052 ( -0.586 1.246 0.402) 1.434 6.090 ( -0.202 -1.885 -3.144) 3.672 ======================= Grid point 50 (31/36) ======================= q-point: ( 0.14 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.056 4.139 7.251) 8.349 0.659 ( 0.272 -2.822 2.034) 3.489 0.692 ( 2.875 0.944 4.687) 5.580 0.767 ( -4.094 -1.411 4.718) 6.404 0.794 ( -0.333 0.791 0.347) 0.926 0.826 ( -2.064 1.519 -3.023) 3.963 0.862 ( 2.729 -4.143 2.785) 5.689 0.909 ( 2.997 -4.148 -6.355) 8.159 0.973 ( 6.961 0.571 -6.257) 9.377 1.031 ( 2.394 -3.674 -5.111) 6.734 1.121 ( 1.317 3.050 -0.409) 3.347 1.158 ( 2.318 -0.328 0.506) 2.395 1.258 ( 3.924 9.490 -1.547) 10.385 1.263 ( 3.004 6.123 0.235) 6.825 1.326 ( 0.336 3.921 -0.212) 3.941 1.382 ( 2.965 -2.807 -3.573) 5.425 1.409 ( 2.166 -0.831 2.718) 3.573 1.435 ( 0.377 0.668 -1.893) 2.043 1.473 ( -3.105 -1.853 0.340) 3.632 1.491 ( 0.743 4.223 3.397) 5.471 1.556 ( -1.299 -0.104 2.006) 2.392 1.577 ( -1.251 -1.155 1.680) 2.392 1.601 ( 0.105 -2.557 0.009) 2.559 1.660 ( -0.014 -4.396 -1.428) 4.622 1.666 ( 1.927 -1.176 0.225) 2.269 1.709 ( 0.215 -1.535 -0.630) 1.673 1.727 ( -1.617 0.962 2.438) 3.080 1.764 ( 1.973 -1.003 0.870) 2.378 1.787 ( 2.878 0.818 -2.043) 3.623 1.808 ( -0.047 0.008 -0.490) 0.492 1.822 ( -2.083 0.869 1.556) 2.742 1.872 ( -0.611 -0.178 -1.195) 1.354 1.883 ( 3.979 0.485 0.002) 4.008 1.910 ( 2.139 -0.856 -0.463) 2.349 1.951 ( 0.853 0.364 2.119) 2.313 1.968 ( 1.190 2.041 -2.892) 3.734 2.002 ( 2.538 -0.707 2.692) 3.767 2.025 ( 3.531 -0.705 1.116) 3.770 2.072 ( 3.305 -3.543 -0.134) 4.847 2.085 ( 0.485 -4.918 1.815) 5.264 2.118 ( 3.962 1.018 -1.415) 4.328 2.149 ( 4.483 -1.547 -3.424) 5.850 2.167 ( 3.614 1.202 1.438) 4.071 2.200 ( 2.810 2.290 -0.700) 3.692 2.233 ( 3.953 -2.475 1.491) 4.896 2.268 ( 0.189 -3.411 1.514) 3.737 2.306 ( 3.424 1.259 1.736) 4.040 2.341 ( 1.957 0.321 3.064) 3.650 2.394 ( 4.348 1.507 -1.106) 4.733 2.409 ( 5.188 -0.209 -0.221) 5.197 2.455 ( 1.057 2.737 1.381) 3.242 2.491 ( 1.374 0.452 -3.088) 3.410 2.518 ( 2.034 -1.923 -2.561) 3.794 2.529 ( 2.810 -1.572 -0.002) 3.220 2.597 ( 4.344 0.427 -0.912) 4.459 2.619 ( 4.568 -1.432 0.279) 4.795 2.663 ( 4.897 1.493 0.157) 5.122 2.671 ( 5.477 0.608 -0.193) 5.514 2.705 ( 1.104 2.244 -1.806) 3.085 2.728 ( -0.616 0.839 -2.647) 2.844 2.779 ( 0.509 -0.054 1.563) 1.645 2.788 ( -0.506 -0.373 -3.802) 3.853 2.832 ( 1.274 1.083 1.152) 2.031 2.866 ( -0.367 -1.144 -0.119) 1.208 2.911 ( 1.335 1.778 2.837) 3.604 2.935 ( 1.443 0.807 2.170) 2.728 2.981 ( 1.509 2.914 -3.615) 4.882 3.015 ( -0.137 1.159 -4.462) 4.612 3.039 ( -0.433 1.224 -0.354) 1.345 3.068 ( 1.358 -0.142 1.178) 1.803 3.099 ( -0.012 0.957 -1.257) 1.580 3.125 ( -0.962 -1.046 1.836) 2.322 3.134 ( -0.496 -0.449 -0.803) 1.046 3.178 ( 1.443 -3.060 0.470) 3.416 3.217 ( 1.000 1.230 -0.090) 1.588 3.238 ( 2.083 -0.722 1.592) 2.719 3.284 ( -0.112 -1.010 -0.197) 1.035 3.290 ( 0.848 -1.480 1.982) 2.615 3.328 ( -2.025 1.011 2.717) 3.536 3.342 ( 2.480 1.322 -0.041) 2.811 3.364 ( -1.779 -1.771 1.783) 3.079 3.388 ( 1.419 -2.126 -0.374) 2.583 3.456 ( 2.342 1.838 0.210) 2.984 3.468 ( 1.263 0.828 -1.237) 1.952 3.592 ( 0.315 0.291 1.207) 1.281 3.611 ( -0.408 -1.115 0.233) 1.210 3.662 ( -1.488 0.809 -0.988) 1.961 3.683 ( -2.698 -1.001 -0.380) 2.903 3.739 ( -1.303 1.812 -2.248) 3.168 3.783 ( -2.217 -1.130 -2.035) 3.215 3.790 ( -0.539 1.327 0.599) 1.552 3.841 ( -1.756 -2.131 0.523) 2.810 3.881 ( -4.150 1.319 -0.393) 4.372 3.904 ( -3.120 -1.457 -0.270) 3.454 3.924 ( -2.232 0.706 0.096) 2.343 3.944 ( -2.234 -1.376 -0.620) 2.696 3.976 ( -2.576 0.326 0.669) 2.681 3.996 ( -2.697 -1.507 -0.424) 3.119 4.034 ( 0.058 -0.255 1.049) 1.081 4.039 ( -0.198 -0.602 1.684) 1.799 4.101 ( -0.240 0.215 -0.080) 0.332 4.116 ( -0.986 -1.101 1.700) 2.253 4.129 ( -1.109 2.135 -0.856) 2.554 4.176 ( -1.287 -1.833 -1.266) 2.573 4.558 ( -3.414 0.854 -0.643) 3.578 4.596 ( -1.859 -3.098 0.390) 3.634 4.666 ( -2.665 0.845 0.158) 2.800 4.686 ( -2.122 -0.707 0.268) 2.253 5.024 ( 2.806 0.897 1.084) 3.139 5.041 ( 2.912 -0.751 0.279) 3.020 5.104 ( 5.065 1.920 -0.280) 5.424 5.123 ( 3.425 0.483 -1.195) 3.659 5.176 ( 0.334 4.718 1.202) 4.880 5.234 ( 3.209 0.336 -2.213) 3.913 5.296 ( -1.881 -1.601 -2.573) 3.567 5.304 ( -0.444 -3.390 -0.727) 3.496 5.641 ( -5.156 3.055 5.709) 8.278 5.685 ( -6.073 0.264 -0.882) 6.142 5.942 ( -9.531 1.018 1.951) 9.782 5.983 ( -9.284 -2.175 -1.464) 9.647 ======================= Grid point 51 (32/36) ======================= q-point: ( 0.29 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -5.277 4.122 -1.219) 6.806 0.548 ( -9.713 1.048 1.849) 9.943 0.650 ( -6.174 -2.422 -0.293) 6.639 0.662 ( -5.845 -3.103 -0.173) 6.620 0.838 ( 6.785 5.076 0.384) 8.482 0.894 ( 6.462 2.965 0.346) 7.118 0.969 ( 6.903 -5.042 3.402) 9.200 1.000 ( 5.019 -4.742 -0.257) 6.909 1.065 ( 1.431 0.727 -1.639) 2.294 1.091 ( 3.532 -1.164 -3.347) 5.003 1.173 ( 3.464 2.843 -2.293) 5.034 1.231 ( 3.768 -0.943 -0.201) 3.889 1.269 ( -2.801 3.406 0.321) 4.422 1.288 ( -0.737 3.747 -1.064) 3.964 1.315 ( -4.166 -0.695 -1.380) 4.443 1.372 ( -2.340 -1.870 -0.477) 3.034 1.386 ( 1.882 0.779 -0.376) 2.071 1.454 ( 2.012 -0.436 -3.074) 3.700 1.509 ( -0.585 -1.641 1.745) 2.466 1.515 ( -2.575 1.066 0.587) 2.848 1.531 ( 2.287 1.779 -1.536) 3.280 1.571 ( 4.671 -1.641 2.040) 5.355 1.603 ( -3.739 2.706 0.806) 4.685 1.650 ( 1.839 2.142 2.067) 3.499 1.689 ( 0.251 -0.625 2.371) 2.465 1.706 ( 0.592 0.449 -0.822) 1.108 1.725 ( -1.030 -0.583 1.190) 1.678 1.773 ( -0.784 -1.832 -0.085) 1.994 1.789 ( -1.369 0.458 -3.081) 3.402 1.803 ( -2.288 -0.869 -0.474) 2.493 1.871 ( 4.626 1.617 -1.102) 5.023 1.886 ( 2.010 -2.064 -1.190) 3.117 1.956 ( 2.115 1.780 0.482) 2.806 1.966 ( 3.415 0.032 0.724) 3.491 2.003 ( 1.645 -3.685 2.836) 4.932 2.009 ( 4.268 0.713 -2.245) 4.875 2.036 ( 2.733 -1.649 2.394) 3.991 2.105 ( 3.612 0.847 1.571) 4.029 2.111 ( 1.299 -2.967 0.280) 3.251 2.150 ( 3.480 -1.396 2.713) 4.629 2.183 ( 1.621 0.040 2.370) 2.872 2.216 ( 1.789 0.151 -0.890) 2.004 2.248 ( 3.414 -0.493 1.169) 3.642 2.273 ( 4.645 -3.085 -0.956) 5.658 2.313 ( 7.248 1.440 1.742) 7.592 2.332 ( 5.868 -0.126 1.554) 6.072 2.390 ( 3.680 2.133 2.875) 5.135 2.433 ( 5.527 2.070 -0.218) 5.906 2.469 ( 1.011 2.049 1.887) 2.964 2.479 ( 3.058 -2.410 0.432) 3.917 2.510 ( 4.671 1.757 -1.027) 5.095 2.548 ( 3.109 -0.524 -2.481) 4.012 2.573 ( 2.700 -0.696 -3.849) 4.752 2.596 ( 3.203 -1.642 -1.170) 3.785 2.649 ( -0.742 -0.203 -0.224) 0.801 2.668 ( -0.318 -1.027 -0.900) 1.402 2.714 ( 1.223 1.290 -1.046) 2.062 2.737 ( 3.330 0.165 -3.020) 4.499 2.766 ( 3.244 -0.085 -0.889) 3.365 2.786 ( 4.031 -0.233 0.052) 4.038 2.820 ( 6.370 1.217 1.532) 6.664 2.849 ( 7.102 -0.237 -1.785) 7.327 2.886 ( 2.657 1.642 0.190) 3.129 2.910 ( 4.790 -0.430 0.069) 4.810 2.947 ( 0.450 1.700 1.509) 2.317 2.969 ( 2.639 -0.386 1.340) 2.984 2.992 ( -0.656 2.362 -4.178) 4.845 3.022 ( 2.042 0.012 -1.963) 2.833 3.044 ( 0.805 0.697 0.909) 1.400 3.079 ( -0.331 1.940 -1.471) 2.457 3.095 ( 0.881 -3.532 2.010) 4.159 3.130 ( -0.776 -2.106 -2.285) 3.203 3.148 ( 2.978 1.084 1.011) 3.326 3.198 ( 1.658 -1.844 0.840) 2.618 3.264 ( 1.242 1.208 1.091) 2.047 3.276 ( -0.722 0.216 -1.495) 1.674 3.291 ( 1.995 -0.816 0.766) 2.288 3.299 ( 0.859 0.239 3.717) 3.822 3.312 ( 2.290 -1.291 2.690) 3.761 3.325 ( -0.602 -0.946 2.528) 2.766 3.394 ( 1.707 0.589 -0.717) 1.943 3.423 ( 1.644 -2.076 0.026) 2.648 3.496 ( 0.788 2.250 0.003) 2.384 3.515 ( 2.676 1.110 -0.037) 2.897 3.568 ( -3.529 -0.324 0.178) 3.548 3.577 ( -3.594 -0.992 0.365) 3.746 3.613 ( -2.634 0.575 -1.201) 2.952 3.624 ( -1.864 -0.250 -0.759) 2.028 3.728 ( -3.556 2.181 0.104) 4.173 3.739 ( 0.536 2.229 -4.547) 5.093 3.750 ( -3.382 1.012 -0.206) 3.536 3.764 ( -4.492 1.242 -0.022) 4.661 3.805 ( -2.572 -1.400 -0.487) 2.969 3.834 ( -3.124 -2.862 -0.446) 4.260 3.863 ( -3.678 0.994 -0.285) 3.820 3.902 ( -1.478 -1.827 0.252) 2.363 3.934 ( -1.373 -0.074 -0.407) 1.434 3.952 ( -2.057 -1.772 -0.560) 2.772 4.017 ( -1.444 0.622 0.424) 1.628 4.026 ( -1.350 0.150 1.363) 1.924 4.093 ( -0.742 0.496 -0.233) 0.923 4.102 ( -0.397 -0.554 0.285) 0.739 4.115 ( 0.148 0.708 -0.144) 0.738 4.149 ( -1.142 -1.651 -0.039) 2.008 4.485 ( -3.416 1.869 0.688) 3.954 4.536 ( -3.554 -2.974 0.795) 4.702 4.596 ( -4.129 1.196 -0.504) 4.328 4.623 ( -3.921 -0.956 -0.087) 4.037 5.054 ( 0.177 1.448 0.280) 1.485 5.074 ( 0.133 -0.309 0.511) 0.612 5.132 ( -1.879 5.059 -1.222) 5.534 5.168 ( -0.125 2.148 -0.755) 2.280 5.222 ( 3.986 -0.139 2.595) 4.758 5.262 ( -0.474 -1.236 -0.940) 1.624 5.311 ( 1.002 -3.360 -2.181) 4.129 5.329 ( 3.595 -4.814 -1.866) 6.291 5.542 ( -3.389 2.941 4.931) 6.667 5.574 ( -3.627 0.857 -0.965) 3.849 5.725 ( -10.699 1.761 2.257) 11.075 5.774 ( -10.158 -2.105 -1.388) 10.466 ======================= Grid point 52 (33/36) ======================= q-point: ( 0.43 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( -6.543 2.743 2.670) 7.580 0.391 ( -5.195 0.281 -2.180) 5.641 0.542 ( -3.170 0.002 -1.406) 3.468 0.588 ( -1.077 -3.721 -6.831) 7.854 0.983 ( 6.431 3.779 -1.552) 7.618 1.024 ( 4.096 2.186 1.344) 4.833 1.044 ( 0.822 0.188 -0.504) 0.983 1.069 ( -2.704 -1.188 1.934) 3.530 1.100 ( 3.513 -2.551 2.243) 4.886 1.122 ( 1.251 -3.304 0.263) 3.542 1.191 ( -3.038 1.173 -1.252) 3.489 1.219 ( -0.587 -1.611 -2.734) 3.227 1.248 ( 3.624 1.830 -2.040) 4.544 1.266 ( -2.097 1.431 1.268) 2.838 1.315 ( 2.674 -1.073 -1.151) 3.103 1.326 ( -1.055 -1.119 1.145) 1.918 1.450 ( -1.311 2.209 0.879) 2.715 1.469 ( 1.640 2.623 -1.878) 3.619 1.477 ( 0.619 1.861 2.157) 2.915 1.512 ( -1.465 1.934 1.817) 3.031 1.546 ( -0.898 3.453 0.213) 3.574 1.558 ( -0.231 1.193 -0.063) 1.217 1.629 ( 2.834 -1.438 -2.650) 4.138 1.640 ( -4.185 -1.613 -0.735) 4.545 1.671 ( 2.027 -1.629 2.811) 3.830 1.698 ( -2.338 -1.898 1.335) 3.294 1.734 ( 2.438 0.767 -2.326) 3.456 1.749 ( -1.084 -1.062 -0.030) 1.518 1.765 ( 0.060 -0.931 1.915) 2.130 1.787 ( -1.102 -0.000 -1.684) 2.012 1.858 ( -2.244 -3.097 -1.078) 3.974 1.877 ( -4.396 -2.777 -1.602) 5.440 1.990 ( 0.221 1.109 0.575) 1.268 2.008 ( 0.703 -0.256 0.033) 0.749 2.053 ( 2.688 0.251 -2.024) 3.374 2.085 ( -0.089 -1.842 -0.634) 1.950 2.115 ( 4.539 0.587 2.850) 5.392 2.154 ( 6.597 -2.048 0.608) 6.934 2.180 ( 2.854 3.025 4.377) 6.037 2.194 ( 1.027 3.833 2.031) 4.458 2.243 ( 1.862 1.089 -0.339) 2.183 2.273 ( 5.083 -4.302 5.099) 8.387 2.303 ( 1.040 0.133 1.174) 1.574 2.333 ( 1.539 -0.881 -0.565) 1.861 2.407 ( -0.283 3.251 2.490) 4.105 2.433 ( -1.596 3.250 2.182) 4.227 2.460 ( 4.487 2.045 1.888) 5.280 2.465 ( 2.590 1.463 -1.477) 3.321 2.514 ( 4.205 -0.148 0.608) 4.251 2.527 ( -0.206 -0.201 -0.901) 0.946 2.559 ( -0.830 -0.632 -2.266) 2.495 2.576 ( -2.174 -2.857 0.157) 3.593 2.582 ( 0.006 -2.710 -0.692) 2.797 2.624 ( -0.902 -4.009 -3.671) 5.510 2.643 ( 1.515 -0.750 -2.612) 3.112 2.653 ( 0.127 -1.464 -0.774) 1.661 2.758 ( 3.114 2.865 0.032) 4.231 2.813 ( 2.813 -1.850 0.482) 3.401 2.845 ( -0.172 2.678 -1.842) 3.254 2.860 ( 3.052 0.681 -0.783) 3.223 2.893 ( 0.613 0.901 1.398) 1.773 2.919 ( 0.436 -0.776 0.455) 1.000 2.936 ( 1.533 0.603 -0.790) 1.827 2.954 ( 0.166 -0.997 -0.828) 1.306 2.996 ( 2.326 2.768 0.351) 3.633 3.029 ( 3.027 0.025 0.018) 3.027 3.032 ( 3.688 -0.295 -1.439) 3.970 3.046 ( 1.030 0.180 -1.374) 1.727 3.070 ( 0.246 -2.032 1.438) 2.502 3.103 ( 1.210 -0.945 -2.654) 3.066 3.124 ( 2.947 -0.369 1.026) 3.142 3.159 ( 5.260 -2.232 1.035) 5.807 3.191 ( 0.088 2.038 -0.947) 2.249 3.234 ( 1.058 -1.215 0.278) 1.635 3.247 ( 0.358 0.372 -0.229) 0.565 3.268 ( -0.098 -0.911 0.998) 1.355 3.312 ( 0.822 0.733 2.125) 2.394 3.322 ( -0.445 0.413 2.844) 2.908 3.359 ( 1.644 0.460 0.678) 1.837 3.386 ( 2.991 -1.537 1.122) 3.545 3.404 ( 0.859 1.827 -0.590) 2.103 3.442 ( -1.029 -1.794 1.408) 2.502 3.488 ( -0.212 0.983 1.789) 2.052 3.499 ( -2.018 -0.933 0.536) 2.287 3.500 ( -2.519 -0.008 -1.818) 3.106 3.526 ( -1.458 -0.895 -0.252) 1.729 3.562 ( -1.912 2.099 -1.415) 3.173 3.589 ( -2.693 -0.349 -1.077) 2.921 3.653 ( -2.298 1.178 0.391) 2.612 3.671 ( -1.990 0.031 0.889) 2.180 3.703 ( -1.558 2.405 -0.693) 2.948 3.739 ( -3.531 -0.663 -0.611) 3.644 3.772 ( 1.305 2.694 -4.008) 5.003 3.788 ( -2.849 2.488 -0.254) 3.791 3.833 ( 1.384 -2.196 -0.153) 2.600 3.871 ( -1.975 -3.874 -0.500) 4.377 3.916 ( -0.623 -0.053 0.070) 0.629 3.923 ( -0.305 -0.584 -1.170) 1.343 3.994 ( -0.459 1.078 0.165) 1.184 3.998 ( -0.842 0.950 0.443) 1.345 4.087 ( 0.057 0.608 -0.212) 0.647 4.094 ( -0.255 -0.134 -0.399) 0.492 4.125 ( 0.630 -0.407 -0.225) 0.783 4.132 ( -0.628 -0.865 0.349) 1.124 4.443 ( -0.334 1.791 2.253) 2.898 4.485 ( -0.868 -1.906 1.770) 2.742 4.517 ( -3.209 1.245 -1.422) 3.724 4.546 ( -3.161 -1.185 -1.132) 3.561 5.059 ( 0.176 1.617 0.258) 1.647 5.066 ( -0.289 2.161 1.684) 2.755 5.086 ( -1.261 2.643 -0.702) 3.012 5.132 ( -2.466 0.613 -1.860) 3.149 5.260 ( 0.879 -1.963 0.647) 2.246 5.281 ( 0.351 -1.737 0.820) 1.952 5.326 ( -0.668 -4.813 1.207) 5.007 5.342 ( -0.035 -4.813 -1.818) 5.145 5.513 ( -1.115 1.733 6.182) 6.516 5.524 ( -3.292 0.841 4.610) 5.727 5.591 ( -0.852 4.351 -4.100) 6.039 5.642 ( -1.675 -0.734 -5.915) 6.191 ======================= Grid point 53 (34/36) ======================= q-point: (-0.43 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 5.660 0.904 0.310) 5.740 0.390 ( 5.399 -2.742 1.125) 6.159 0.552 ( 4.281 2.525 -4.062) 6.419 0.609 ( 2.720 -2.470 -7.405) 8.266 0.943 ( -7.294 1.032 2.392) 7.745 0.972 ( -5.384 -1.142 3.346) 6.441 1.060 ( 0.969 2.968 0.585) 3.176 1.084 ( -1.104 0.160 0.616) 1.274 1.114 ( -2.923 -0.907 0.319) 3.077 1.148 ( 1.156 -3.751 -1.611) 4.243 1.184 ( 1.836 2.020 -1.228) 2.993 1.210 ( -0.736 0.281 -0.517) 0.943 1.271 ( 2.059 0.158 -4.682) 5.117 1.295 ( -0.034 -0.126 -1.900) 1.904 1.330 ( 1.276 1.746 -2.458) 3.274 1.343 ( 0.761 -0.192 0.356) 0.862 1.420 ( -0.615 -0.100 1.269) 1.414 1.428 ( -2.462 -0.155 2.922) 3.824 1.502 ( 0.709 2.192 1.415) 2.704 1.528 ( 0.312 2.397 -1.913) 3.082 1.539 ( 1.763 2.115 3.282) 4.284 1.549 ( -3.940 -0.790 1.616) 4.331 1.596 ( 2.373 4.973 0.074) 5.511 1.622 ( -2.790 -0.483 -1.007) 3.005 1.669 ( -0.462 -1.163 3.421) 3.643 1.712 ( 0.464 0.909 -2.706) 2.892 1.724 ( -0.525 -1.353 -0.380) 1.500 1.750 ( 0.443 -4.180 0.528) 4.237 1.782 ( -0.944 -1.830 0.426) 2.103 1.799 ( 2.172 -0.964 -1.155) 2.642 1.838 ( 2.737 -2.718 1.000) 3.985 1.860 ( 2.007 -2.480 -0.575) 3.242 1.956 ( -2.979 1.609 2.307) 4.097 2.012 ( -4.667 -0.547 1.720) 5.004 2.033 ( 0.696 -1.896 -0.612) 2.110 2.068 ( -1.487 -2.715 1.140) 3.299 2.149 ( -3.632 2.486 -0.580) 4.439 2.169 ( -1.979 1.623 -0.043) 2.560 2.214 ( -0.221 2.837 -0.067) 2.846 2.225 ( -1.960 2.553 0.789) 3.314 2.269 ( -3.389 1.807 -2.818) 4.764 2.286 ( -0.530 -0.906 0.558) 1.188 2.329 ( 3.068 1.755 -0.535) 3.574 2.355 ( -5.234 0.349 0.227) 5.250 2.367 ( 0.777 0.262 2.320) 2.460 2.421 ( 1.834 -3.282 5.668) 6.801 2.466 ( -1.575 -2.834 0.170) 3.246 2.492 ( -3.220 -2.689 -0.250) 4.203 2.508 ( 1.072 0.526 -0.218) 1.214 2.527 ( -0.471 1.696 -1.309) 2.193 2.529 ( -4.164 0.718 -1.802) 4.594 2.564 ( -1.071 2.276 1.022) 2.715 2.584 ( -0.836 -1.680 -1.519) 2.414 2.597 ( 0.156 -1.872 -0.048) 1.880 2.633 ( -1.681 -0.450 -0.719) 1.883 2.655 ( -0.162 -1.501 -0.700) 1.664 2.765 ( -3.945 4.414 0.197) 5.923 2.808 ( -0.878 1.352 -0.111) 1.615 2.826 ( -1.752 -1.344 2.254) 3.155 2.853 ( -4.243 -2.339 -1.905) 5.206 2.894 ( -1.486 0.446 1.270) 2.005 2.899 ( -1.786 0.461 1.285) 2.247 2.919 ( -2.481 0.320 0.657) 2.587 2.941 ( -0.492 -1.293 0.839) 1.618 3.003 ( -4.792 1.303 1.158) 5.100 3.010 ( -1.708 0.222 0.593) 1.821 3.029 ( -0.219 0.401 -1.358) 1.433 3.050 ( -2.725 -0.862 -0.819) 2.973 3.075 ( -0.925 -0.634 -1.357) 1.761 3.112 ( -2.833 -1.938 -1.769) 3.862 3.157 ( -1.519 0.618 -1.755) 2.402 3.168 ( -0.018 -0.303 -0.515) 0.598 3.216 ( -2.411 0.198 -1.909) 3.081 3.239 ( -0.175 -0.165 -0.689) 0.730 3.256 ( 0.197 -0.020 -0.605) 0.637 3.273 ( 1.512 -2.087 -0.032) 2.577 3.322 ( 0.443 0.319 0.166) 0.571 3.335 ( 1.247 -0.203 -0.378) 1.319 3.366 ( -1.463 1.889 2.525) 3.476 3.393 ( -1.188 -0.197 0.791) 1.440 3.419 ( 0.681 1.584 -1.990) 2.633 3.440 ( 2.244 -0.499 2.766) 3.597 3.481 ( -1.025 1.318 0.441) 1.727 3.484 ( 0.450 0.168 0.251) 0.542 3.515 ( 1.734 -1.968 -0.399) 2.653 3.523 ( 0.082 -1.132 1.120) 1.594 3.548 ( 2.490 1.188 -0.551) 2.813 3.573 ( 2.340 -0.937 -0.518) 2.573 3.644 ( 0.776 1.193 1.117) 1.809 3.666 ( 1.352 -0.614 1.508) 2.116 3.692 ( -0.193 2.334 0.796) 2.473 3.705 ( 1.097 2.228 0.543) 2.542 3.765 ( 1.715 0.054 -1.825) 2.505 3.806 ( 1.969 2.806 -1.967) 3.952 3.828 ( -0.906 -3.803 0.073) 3.910 3.872 ( 1.712 -2.266 -0.452) 2.876 3.908 ( -0.290 0.613 0.163) 0.697 3.921 ( 0.173 -0.521 -0.388) 0.672 3.997 ( 0.729 1.440 -0.154) 1.621 4.010 ( 1.643 0.339 -0.675) 1.809 4.091 ( 0.285 0.206 -0.282) 0.451 4.094 ( 0.199 0.050 -0.643) 0.675 4.123 ( -0.212 0.181 -0.030) 0.280 4.139 ( 0.670 -1.111 -0.278) 1.326 4.472 ( 1.799 1.210 1.041) 2.405 4.488 ( 1.467 1.599 -0.497) 2.226 4.507 ( 2.041 -1.291 0.929) 2.588 4.530 ( 2.628 -1.426 -0.503) 3.032 5.041 ( -0.237 2.583 1.141) 2.834 5.083 ( -0.483 -0.706 1.275) 1.536 5.101 ( 0.624 1.828 -0.277) 1.951 5.106 ( 2.685 2.342 -1.586) 3.900 5.257 ( -0.926 -2.002 0.597) 2.285 5.281 ( 0.196 -3.086 2.093) 3.734 5.300 ( -0.726 -1.284 0.674) 1.621 5.345 ( -1.541 -4.978 0.417) 5.228 5.481 ( -0.503 3.498 4.624) 5.820 5.529 ( 3.217 -1.603 3.894) 5.300 5.634 ( 4.935 2.863 -5.144) 7.682 5.662 ( 2.940 0.233 -6.666) 7.289 ======================= Grid point 54 (35/36) ======================= q-point: (-0.29 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 8.952 0.255 -1.103) 9.024 0.532 ( 6.743 -1.577 2.689) 7.428 0.657 ( 1.037 3.566 -0.216) 3.721 0.685 ( 7.826 0.796 -3.047) 8.436 0.810 ( -5.286 -0.003 3.837) 6.532 0.856 ( -5.135 -4.103 2.562) 7.054 1.007 ( -5.591 2.231 -2.327) 6.454 1.039 ( -3.542 -1.162 -1.733) 4.111 1.061 ( -3.011 -0.054 -1.745) 3.481 1.092 ( -2.951 -1.787 -2.706) 4.384 1.195 ( -1.684 2.353 -3.955) 4.901 1.237 ( -2.078 2.947 -0.723) 3.678 1.249 ( 1.124 0.253 2.450) 2.708 1.319 ( -0.261 -1.282 -0.597) 1.438 1.325 ( -1.004 1.996 -0.436) 2.276 1.364 ( 1.337 -0.487 -3.394) 3.680 1.378 ( -2.890 -0.153 -1.560) 3.288 1.442 ( 2.664 0.350 -2.587) 3.730 1.489 ( -0.152 -1.992 2.226) 2.991 1.509 ( -2.462 -2.043 0.155) 3.203 1.536 ( 0.796 3.680 -0.458) 3.793 1.565 ( 2.802 2.646 3.265) 5.051 1.599 ( -0.991 2.479 0.009) 2.670 1.647 ( 3.201 2.190 2.077) 4.399 1.676 ( -1.041 -1.171 1.405) 2.105 1.712 ( 1.056 -2.036 2.689) 3.534 1.729 ( -0.880 -0.544 1.348) 1.700 1.744 ( -1.832 -0.915 2.457) 3.198 1.770 ( -0.955 -3.164 0.969) 3.445 1.801 ( -3.304 -1.526 -0.011) 3.639 1.849 ( -0.127 1.468 0.204) 1.488 1.862 ( -3.375 -0.725 1.699) 3.848 1.912 ( 0.844 1.185 2.141) 2.588 1.945 ( -3.188 0.655 1.610) 3.631 1.979 ( -5.449 -2.556 1.347) 6.168 2.022 ( -2.182 -3.727 4.527) 6.256 2.082 ( -2.251 -1.620 -3.415) 4.399 2.102 ( -4.659 0.947 -1.445) 4.969 2.151 ( -3.756 2.631 -0.845) 4.663 2.194 ( -2.959 -1.529 0.068) 3.332 2.196 ( -1.376 -0.977 0.281) 1.711 2.222 ( -4.901 1.138 -5.870) 7.731 2.273 ( -2.290 -0.066 -0.974) 2.489 2.301 ( -5.014 -0.722 -1.531) 5.292 2.356 ( -4.542 0.425 -0.997) 4.670 2.375 ( -4.618 -0.421 -0.714) 4.692 2.411 ( -3.518 1.105 -0.028) 3.688 2.435 ( -2.624 0.659 2.153) 3.457 2.467 ( -1.236 -0.815 0.984) 1.778 2.477 ( -6.742 0.769 1.474) 6.944 2.507 ( -1.309 2.159 -3.332) 4.181 2.528 ( -0.960 0.019 -2.631) 2.801 2.538 ( -2.140 0.172 -0.497) 2.203 2.583 ( -1.710 -2.227 0.937) 2.960 2.630 ( -0.702 -0.050 1.025) 1.243 2.642 ( -2.439 -0.079 1.392) 2.810 2.690 ( -2.379 1.327 1.053) 2.920 2.734 ( -4.911 -2.032 -1.704) 5.582 2.758 ( -2.662 1.124 0.054) 2.890 2.770 ( -3.450 -0.736 1.222) 3.734 2.817 ( -6.383 0.606 1.759) 6.649 2.834 ( -4.174 -1.094 1.209) 4.481 2.887 ( -1.095 2.943 2.480) 4.002 2.896 ( -2.044 2.040 -0.878) 3.018 2.936 ( -3.876 0.576 -0.311) 3.931 2.960 ( -2.398 -0.677 0.410) 2.525 2.984 ( -1.830 0.664 -0.634) 2.047 3.015 ( -0.720 -0.648 -0.859) 1.294 3.053 ( 0.730 1.619 0.300) 1.801 3.087 ( -2.090 1.101 -2.020) 3.108 3.101 ( 0.392 -2.564 0.321) 2.614 3.135 ( -2.193 -3.088 -0.570) 3.830 3.170 ( -2.995 0.910 -1.382) 3.422 3.228 ( -2.550 -2.802 -2.194) 4.378 3.251 ( -1.631 1.002 0.655) 2.023 3.270 ( 0.202 -0.449 -1.022) 1.135 3.314 ( -0.985 -0.231 -0.857) 1.326 3.330 ( -0.188 -1.014 0.232) 1.057 3.348 ( -0.447 2.004 0.250) 2.068 3.374 ( -2.737 1.589 0.481) 3.201 3.384 ( -0.537 -0.782 -1.375) 1.671 3.426 ( -2.587 -1.580 0.026) 3.031 3.467 ( -1.457 1.982 2.753) 3.692 3.498 ( -0.858 -0.961 0.275) 1.318 3.579 ( 5.015 0.478 -0.948) 5.126 3.595 ( 2.915 -0.677 -1.341) 3.280 3.605 ( 3.061 0.399 -0.014) 3.086 3.618 ( 3.793 -1.157 0.113) 3.967 3.682 ( 0.458 2.112 0.644) 2.255 3.703 ( 1.214 0.180 1.561) 1.986 3.738 ( 3.785 1.573 1.671) 4.427 3.750 ( 5.560 0.395 1.335) 5.731 3.809 ( 1.246 0.559 -0.948) 1.663 3.844 ( 3.201 -2.851 -1.629) 4.585 3.869 ( 3.869 0.737 -0.508) 3.971 3.907 ( 1.516 -1.928 -0.109) 2.455 3.913 ( 0.996 1.023 1.307) 1.936 3.939 ( 1.521 -1.442 0.658) 2.196 4.020 ( 1.476 1.857 0.162) 2.378 4.047 ( 1.667 -0.545 -0.845) 1.947 4.097 ( 0.338 0.141 -0.636) 0.734 4.100 ( 0.354 0.282 0.360) 0.578 4.129 ( 0.994 -0.251 -1.002) 1.434 4.150 ( 0.442 -1.589 -0.106) 1.652 4.502 ( 2.129 1.812 -1.176) 3.033 4.547 ( 3.285 -2.077 -0.179) 3.891 4.581 ( 4.641 1.162 1.086) 4.906 4.613 ( 4.425 -1.083 0.881) 4.640 5.050 ( 0.517 0.913 0.620) 1.219 5.071 ( -0.518 -0.776 0.856) 1.266 5.124 ( -0.562 3.567 -0.133) 3.613 5.145 ( 1.300 2.652 1.010) 3.122 5.258 ( -0.953 -2.343 -0.233) 2.540 5.261 ( -2.258 -0.181 0.307) 2.286 5.272 ( -2.148 -0.970 0.314) 2.378 5.290 ( -1.783 -3.122 1.728) 3.988 5.513 ( 4.308 5.118 3.832) 7.709 5.612 ( 4.483 -3.960 -0.918) 6.052 5.778 ( 8.894 0.830 -2.522) 9.282 5.790 ( 10.107 -0.048 -3.520) 10.703 ======================= Grid point 55 (36/36) ======================= q-point: (-0.14 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.088 3.441 8.197) 9.411 0.640 ( 3.491 -0.642 0.074) 3.550 0.682 ( 0.904 4.846 6.115) 7.854 0.743 ( 1.227 -1.862 1.702) 2.806 0.788 ( -1.760 -5.288 2.244) 6.008 0.811 ( 1.420 -3.031 2.691) 4.294 0.921 ( -3.140 1.952 -5.025) 6.239 0.947 ( -3.944 -0.176 -7.382) 8.371 0.987 ( -4.188 -3.867 -5.554) 7.959 1.010 ( -4.031 -3.738 -5.975) 8.119 1.156 ( -1.107 3.449 -4.361) 5.669 1.204 ( -1.960 3.573 0.850) 4.163 1.236 ( -4.368 7.495 0.531) 8.691 1.246 ( -2.241 3.048 -1.737) 4.163 1.306 ( -0.901 2.756 1.773) 3.399 1.360 ( -1.548 -0.598 -0.324) 1.691 1.373 ( -0.019 0.137 0.874) 0.885 1.464 ( -0.226 0.282 -0.145) 0.390 1.465 ( -1.688 0.005 -0.676) 1.818 1.512 ( 3.188 -2.232 1.002) 4.019 1.553 ( -1.929 2.087 0.863) 2.970 1.585 ( 1.724 -1.533 -0.025) 2.307 1.596 ( -1.942 -0.813 2.789) 3.494 1.650 ( -1.426 -2.618 2.768) 4.068 1.664 ( 0.135 -1.841 3.405) 3.873 1.672 ( 1.200 2.097 2.444) 3.437 1.722 ( -1.387 -1.422 -1.825) 2.698 1.745 ( 2.090 -1.322 1.059) 2.690 1.764 ( 0.675 -0.083 4.342) 4.395 1.797 ( 0.996 -2.092 1.423) 2.719 1.831 ( -1.153 0.322 -1.317) 1.780 1.840 ( -1.374 1.263 -0.386) 1.906 1.861 ( -0.981 -0.635 3.121) 3.332 1.904 ( -0.877 -3.660 2.473) 4.503 1.913 ( -0.552 0.755 2.340) 2.520 1.961 ( -3.717 -2.814 1.570) 4.919 2.012 ( -2.184 0.278 -2.145) 3.073 2.051 ( -4.521 1.525 -1.630) 5.042 2.082 ( -0.474 -0.144 -4.321) 4.349 2.113 ( -3.741 2.481 0.600) 4.529 2.137 ( -3.116 0.252 -3.001) 4.334 2.183 ( -4.357 -3.975 -3.806) 7.019 2.197 ( -2.248 3.314 -0.932) 4.112 2.207 ( -4.295 -1.835 -1.683) 4.965 2.258 ( -5.836 -3.650 -1.163) 6.981 2.286 ( -3.151 -4.745 -0.251) 5.701 2.341 ( -5.361 3.463 1.683) 6.601 2.359 ( -3.151 1.011 -0.446) 3.339 2.390 ( -0.632 3.023 1.375) 3.380 2.434 ( -4.935 0.238 -0.789) 5.003 2.458 ( -2.230 0.731 -1.389) 2.727 2.470 ( -1.266 0.275 -1.244) 1.796 2.495 ( -2.325 0.604 -2.990) 3.835 2.543 ( -1.991 -2.500 -1.330) 3.462 2.571 ( -3.638 1.395 1.932) 4.349 2.597 ( -1.242 -1.247 1.745) 2.479 2.646 ( -3.151 1.211 1.837) 3.843 2.660 ( -5.625 0.032 1.313) 5.777 2.680 ( -0.216 0.477 -0.377) 0.645 2.701 ( -1.885 -0.972 -0.068) 2.122 2.772 ( 0.884 2.627 -0.163) 2.776 2.812 ( -0.224 -1.283 1.059) 1.678 2.840 ( -2.655 1.865 -1.129) 3.435 2.869 ( 0.033 0.403 -1.990) 2.030 2.894 ( -0.982 0.899 2.762) 3.067 2.917 ( 0.142 0.400 3.024) 3.053 3.002 ( 0.194 1.432 -3.126) 3.444 3.004 ( 0.415 1.110 -2.834) 3.072 3.040 ( -2.103 1.731 -0.628) 2.796 3.072 ( 0.009 2.696 0.250) 2.708 3.085 ( -0.554 -0.793 0.266) 1.003 3.116 ( -0.448 -2.297 0.423) 2.378 3.155 ( 1.325 -1.542 -0.501) 2.094 3.187 ( -1.480 -3.061 -0.536) 3.442 3.218 ( -0.846 1.476 -0.183) 1.711 3.257 ( -1.024 -1.724 -1.268) 2.373 3.287 ( -0.906 0.175 -0.097) 0.928 3.307 ( -2.083 1.006 3.057) 3.834 3.327 ( -1.074 -1.896 -1.224) 2.499 3.353 ( -3.479 -2.376 1.431) 4.449 3.372 ( 0.998 0.733 -0.477) 1.327 3.397 ( 0.759 -1.043 -0.113) 1.295 3.448 ( -0.485 2.450 0.589) 2.566 3.467 ( -1.569 0.853 -1.036) 2.065 3.605 ( -0.738 1.037 0.228) 1.293 3.620 ( 0.118 -0.054 -1.403) 1.409 3.671 ( 0.900 -1.258 0.414) 1.601 3.673 ( 1.699 -1.326 -1.207) 2.470 3.712 ( 3.446 1.595 0.319) 3.810 3.762 ( 4.289 -2.514 -0.005) 4.972 3.806 ( 0.380 1.618 -1.181) 2.039 3.823 ( 1.662 0.930 2.695) 3.300 3.863 ( 4.794 1.262 1.313) 5.129 3.906 ( 2.323 -2.762 -0.801) 3.696 3.936 ( 2.108 0.354 -0.621) 2.226 3.943 ( 2.371 -0.227 -0.012) 2.382 3.957 ( 3.203 -0.071 1.636) 3.598 3.973 ( 1.937 -1.897 1.840) 3.277 4.044 ( 0.582 1.333 -0.064) 1.455 4.067 ( 0.217 -0.858 -1.127) 1.433 4.107 ( 0.735 1.231 -0.070) 1.435 4.109 ( 0.570 0.829 0.448) 1.101 4.154 ( -0.052 -1.496 0.646) 1.631 4.161 ( 1.945 -2.353 -1.994) 3.646 4.550 ( 2.470 1.833 0.072) 3.077 4.604 ( 1.931 -3.148 -0.464) 3.722 4.662 ( 3.117 1.163 0.672) 3.394 4.683 ( 2.256 -0.647 0.623) 2.428 5.030 ( -3.558 0.550 1.334) 3.839 5.035 ( -2.218 -0.265 0.204) 2.243 5.084 ( -2.641 1.596 1.035) 3.255 5.110 ( -4.723 -0.697 0.669) 4.821 5.193 ( -2.939 2.273 1.386) 3.966 5.217 ( -0.099 3.190 -2.377) 3.980 5.273 ( 1.547 -1.792 -0.231) 2.379 5.310 ( 1.557 -2.100 -1.271) 2.907 5.630 ( 5.747 4.193 4.643) 8.495 5.711 ( 4.820 -2.242 -1.249) 5.460 5.966 ( 8.256 0.666 -0.141) 8.284 5.993 ( 8.871 -1.281 -2.954) 9.438 =================== 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 3/12600 10.0 12.382 9.800 9.787 0.000 0.364 0.000 3/12600 20.0 3.528 2.563 2.745 0.000 0.019 0.000 3/12600 30.0 1.876 1.317 1.467 0.000 0.000 0.000 3/12600 40.0 1.282 0.875 0.994 0.000 -0.002 0.000 3/12600 50.0 0.987 0.659 0.757 0.000 -0.002 0.000 3/12600 60.0 0.810 0.531 0.614 0.000 -0.002 0.000 3/12600 70.0 0.691 0.447 0.519 0.000 -0.002 0.000 3/12600 80.0 0.605 0.387 0.451 0.000 -0.002 0.000 3/12600 90.0 0.539 0.342 0.399 0.000 -0.002 0.000 3/12600 100.0 0.486 0.307 0.358 0.000 -0.002 0.000 3/12600 110.0 0.443 0.278 0.325 0.000 -0.002 0.000 3/12600 120.0 0.407 0.255 0.298 0.000 -0.002 0.000 3/12600 130.0 0.377 0.235 0.275 0.000 -0.001 0.000 3/12600 140.0 0.351 0.218 0.255 0.000 -0.001 0.000 3/12600 150.0 0.328 0.204 0.238 0.000 -0.001 0.000 3/12600 160.0 0.308 0.191 0.223 0.000 -0.001 0.000 3/12600 170.0 0.290 0.180 0.210 0.000 -0.001 0.000 3/12600 180.0 0.274 0.170 0.198 0.000 -0.001 0.000 3/12600 190.0 0.260 0.161 0.188 0.000 -0.001 0.000 3/12600 200.0 0.248 0.153 0.178 0.000 -0.001 0.000 3/12600 210.0 0.236 0.145 0.170 0.000 -0.001 0.000 3/12600 220.0 0.225 0.139 0.162 0.000 -0.001 0.000 3/12600 230.0 0.216 0.133 0.155 0.000 -0.001 0.000 3/12600 240.0 0.207 0.127 0.149 0.000 -0.001 0.000 3/12600 250.0 0.199 0.122 0.143 0.000 -0.001 0.000 3/12600 260.0 0.191 0.117 0.137 0.000 -0.001 0.000 3/12600 270.0 0.184 0.113 0.132 0.000 -0.001 0.000 3/12600 280.0 0.178 0.109 0.128 0.000 -0.001 0.000 3/12600 290.0 0.172 0.105 0.123 0.000 -0.001 0.000 3/12600 300.0 0.166 0.102 0.119 0.000 -0.001 0.000 3/12600 310.0 0.161 0.098 0.115 0.000 -0.001 0.000 3/12600 320.0 0.156 0.095 0.112 0.000 -0.001 0.000 3/12600 330.0 0.151 0.093 0.108 0.000 -0.001 0.000 3/12600 340.0 0.147 0.090 0.105 0.000 -0.001 0.000 3/12600 350.0 0.142 0.087 0.102 0.000 -0.001 0.000 3/12600 360.0 0.139 0.085 0.099 0.000 -0.001 0.000 3/12600 370.0 0.135 0.083 0.097 0.000 -0.001 0.000 3/12600 380.0 0.131 0.080 0.094 0.000 -0.001 0.000 3/12600 390.0 0.128 0.078 0.092 0.000 -0.001 0.000 3/12600 400.0 0.125 0.076 0.089 0.000 -0.001 0.000 3/12600 410.0 0.122 0.074 0.087 0.000 -0.001 0.000 3/12600 420.0 0.119 0.073 0.085 0.000 -0.001 0.000 3/12600 430.0 0.116 0.071 0.083 0.000 -0.001 0.000 3/12600 440.0 0.114 0.069 0.081 0.000 -0.001 0.000 3/12600 450.0 0.111 0.068 0.079 0.000 -0.001 0.000 3/12600 460.0 0.109 0.066 0.078 0.000 -0.001 0.000 3/12600 470.0 0.106 0.065 0.076 0.000 -0.001 0.000 3/12600 480.0 0.104 0.064 0.074 0.000 -0.001 0.000 3/12600 490.0 0.102 0.062 0.073 0.000 -0.000 0.000 3/12600 500.0 0.100 0.061 0.072 0.000 -0.000 0.000 3/12600 510.0 0.098 0.060 0.070 0.000 -0.000 0.000 3/12600 520.0 0.096 0.059 0.069 0.000 -0.000 0.000 3/12600 530.0 0.094 0.058 0.067 0.000 -0.000 0.000 3/12600 540.0 0.093 0.057 0.066 0.000 -0.000 0.000 3/12600 550.0 0.091 0.056 0.065 0.000 -0.000 0.000 3/12600 560.0 0.089 0.055 0.064 0.000 -0.000 0.000 3/12600 570.0 0.088 0.054 0.063 0.000 -0.000 0.000 3/12600 580.0 0.086 0.053 0.062 0.000 -0.000 0.000 3/12600 590.0 0.085 0.052 0.061 0.000 -0.000 0.000 3/12600 600.0 0.083 0.051 0.060 0.000 -0.000 0.000 3/12600 610.0 0.082 0.050 0.059 0.000 -0.000 0.000 3/12600 620.0 0.081 0.049 0.058 0.000 -0.000 0.000 3/12600 630.0 0.079 0.048 0.057 0.000 -0.000 0.000 3/12600 640.0 0.078 0.048 0.056 0.000 -0.000 0.000 3/12600 650.0 0.077 0.047 0.055 0.000 -0.000 0.000 3/12600 660.0 0.076 0.046 0.054 0.000 -0.000 0.000 3/12600 670.0 0.075 0.046 0.053 0.000 -0.000 0.000 3/12600 680.0 0.074 0.045 0.053 0.000 -0.000 0.000 3/12600 690.0 0.073 0.044 0.052 0.000 -0.000 0.000 3/12600 700.0 0.071 0.044 0.051 0.000 -0.000 0.000 3/12600 710.0 0.070 0.043 0.050 0.000 -0.000 0.000 3/12600 720.0 0.070 0.042 0.050 0.000 -0.000 0.000 3/12600 730.0 0.069 0.042 0.049 0.000 -0.000 0.000 3/12600 740.0 0.068 0.041 0.048 0.000 -0.000 0.000 3/12600 750.0 0.067 0.041 0.048 0.000 -0.000 0.000 3/12600 760.0 0.066 0.040 0.047 0.000 -0.000 0.000 3/12600 770.0 0.065 0.040 0.046 0.000 -0.000 0.000 3/12600 780.0 0.064 0.039 0.046 0.000 -0.000 0.000 3/12600 790.0 0.063 0.039 0.045 0.000 -0.000 0.000 3/12600 800.0 0.063 0.038 0.045 0.000 -0.000 0.000 3/12600 810.0 0.062 0.038 0.044 0.000 -0.000 0.000 3/12600 820.0 0.061 0.037 0.044 0.000 -0.000 0.000 3/12600 830.0 0.060 0.037 0.043 0.000 -0.000 0.000 3/12600 840.0 0.060 0.036 0.043 0.000 -0.000 0.000 3/12600 850.0 0.059 0.036 0.042 0.000 -0.000 0.000 3/12600 860.0 0.058 0.036 0.042 0.000 -0.000 0.000 3/12600 870.0 0.058 0.035 0.041 0.000 -0.000 0.000 3/12600 880.0 0.057 0.035 0.041 0.000 -0.000 0.000 3/12600 890.0 0.056 0.034 0.040 0.000 -0.000 0.000 3/12600 900.0 0.056 0.034 0.040 0.000 -0.000 0.000 3/12600 910.0 0.055 0.034 0.039 0.000 -0.000 0.000 3/12600 920.0 0.054 0.033 0.039 0.000 -0.000 0.000 3/12600 930.0 0.054 0.033 0.038 0.000 -0.000 0.000 3/12600 940.0 0.053 0.033 0.038 0.000 -0.000 0.000 3/12600 950.0 0.053 0.032 0.038 0.000 -0.000 0.000 3/12600 960.0 0.052 0.032 0.037 0.000 -0.000 0.000 3/12600 970.0 0.052 0.032 0.037 0.000 -0.000 0.000 3/12600 980.0 0.051 0.031 0.037 0.000 -0.000 0.000 3/12600 990.0 0.051 0.031 0.036 0.000 -0.000 0.000 3/12600 1000.0 0.050 0.031 0.036 0.000 -0.000 0.000 3/12600 Thermal conductivity related properties were written into "kappa-m735.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:54:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|