----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:18:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fdd2 (43) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 8.872336170000001 2.969053435000000 b 7.366650095000000 0.000000000000000 2.969053435000000 c 7.366650095000000 8.872336170000001 0.000000000000000 Atomic positions (fractional): *1 As 0.58611945603293 0.40885541175958 0.91899780956805 74.922 2 As 0.40885541175958 0.58611945603293 0.08602732263944 74.922 3 As 0.16397267736056 0.33100219043195 0.84114458824042 74.922 4 As 0.33100219043195 0.16397267736056 0.66388054396707 74.922 *5 As 0.68276058005231 0.85292214889082 0.97780016148501 74.922 6 As 0.85292214889082 0.68276058005231 0.48651710957185 74.922 7 As 0.27219983851499 0.76348289042815 0.56723941994769 74.922 8 As 0.76348289042815 0.27219983851499 0.39707785110918 74.922 *9 Sr 0.44538177649068 0.10676151147065 0.88891793429096 87.620 10 Sr 0.10676151147065 0.44538177649068 0.55893877774771 87.620 11 Sr 0.69106122225229 0.36108206570904 0.14323848852935 87.620 12 Sr 0.36108206570904 0.69106122225229 0.80461822350932 87.620 *13 Sr 0.99799912530310 0.99799912530310 0.50200087469690 87.620 14 Sr 0.74799912530310 0.74799912530310 0.25200087469690 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.733300190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.744672340000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.938106870000000 Atomic positions (fractional): *1 As 0.16392661066382 0.75255863280049 0.99748743389625 74.922 > 1 2 As 0.33607338933619 0.74744136719951 0.99748743389625 74.922 > 2 3 As 0.08607338933618 0.50255863280049 0.74748743389625 74.922 > 3 4 As 0.41392661066381 0.99744136719951 0.74748743389625 74.922 > 4 *5 As 0.41536115518792 0.83028037076866 0.26784136447157 74.922 > 5 6 As 0.08463884481208 0.66971962923134 0.26784136447157 74.922 > 6 7 As 0.16536115518792 0.91971962923134 0.51784136447157 74.922 > 7 8 As 0.33463884481208 0.58028037076866 0.51784136447157 74.922 > 8 9 As 0.16392661066382 0.25255863280049 0.49748743389625 74.922 > 1 10 As 0.33607338933619 0.24744136719951 0.49748743389625 74.922 > 2 11 As 0.08607338933618 0.00255863280049 0.24748743389625 74.922 > 3 12 As 0.41392661066381 0.49744136719951 0.24748743389625 74.922 > 4 13 As 0.41536115518792 0.33028037076866 0.76784136447157 74.922 > 5 14 As 0.08463884481208 0.16971962923134 0.76784136447157 74.922 > 6 15 As 0.16536115518792 0.41971962923134 0.01784136447157 74.922 > 7 16 As 0.33463884481208 0.08028037076866 0.01784136447157 74.922 > 8 17 As 0.66392661066381 0.75255863280049 0.49748743389625 74.922 > 1 18 As 0.83607338933619 0.74744136719951 0.49748743389625 74.922 > 2 19 As 0.58607338933619 0.50255863280049 0.24748743389625 74.922 > 3 20 As 0.91392661066381 0.99744136719951 0.24748743389625 74.922 > 4 21 As 0.91536115518792 0.83028037076866 0.76784136447157 74.922 > 5 22 As 0.58463884481208 0.66971962923134 0.76784136447157 74.922 > 6 23 As 0.66536115518792 0.91971962923134 0.01784136447157 74.922 > 7 24 As 0.83463884481208 0.58028037076866 0.01784136447157 74.922 > 8 25 As 0.66392661066381 0.25255863280049 0.99748743389625 74.922 > 1 26 As 0.83607338933619 0.24744136719951 0.99748743389625 74.922 > 2 27 As 0.58607338933619 0.00255863280049 0.74748743389625 74.922 > 3 28 As 0.91392661066381 0.49744136719951 0.74748743389625 74.922 > 4 29 As 0.91536115518792 0.33028037076866 0.26784136447157 74.922 > 5 30 As 0.58463884481208 0.16971962923134 0.26784136447157 74.922 > 6 31 As 0.66536115518792 0.41971962923134 0.51784136447157 74.922 > 7 32 As 0.83463884481208 0.08028037076866 0.51784136447157 74.922 > 8 *33 Sr 0.49783972288080 0.66714985539082 0.27607164398067 87.620 > 9 34 Sr 0.00216027711920 0.83285014460918 0.27607164398067 87.620 > 10 35 Sr 0.25216027711920 0.91714985539082 0.02607164398067 87.620 > 11 36 Sr 0.24783972288080 0.58285014460918 0.02607164398067 87.620 > 12 *37 Sr 0.25000000000000 0.75000000000000 0.49799912530310 87.620 > 13 38 Sr 0.00000000000000 0.00000000000000 0.74799912530310 87.620 > 14 39 Sr 0.49783972288080 0.16714985539082 0.77607164398067 87.620 > 9 40 Sr 0.00216027711920 0.33285014460918 0.77607164398067 87.620 > 10 41 Sr 0.25216027711920 0.41714985539082 0.52607164398067 87.620 > 11 42 Sr 0.24783972288080 0.08285014460918 0.52607164398067 87.620 > 12 43 Sr 0.25000000000000 0.25000000000000 0.99799912530310 87.620 > 13 44 Sr 0.00000000000000 0.50000000000000 0.24799912530310 87.620 > 14 45 Sr 0.99783972288080 0.66714985539082 0.77607164398067 87.620 > 9 46 Sr 0.50216027711920 0.83285014460918 0.77607164398067 87.620 > 10 47 Sr 0.75216027711920 0.91714985539082 0.52607164398067 87.620 > 11 48 Sr 0.74783972288080 0.58285014460918 0.52607164398067 87.620 > 12 49 Sr 0.75000000000000 0.75000000000000 0.99799912530310 87.620 > 13 50 Sr 0.50000000000000 0.00000000000000 0.24799912530310 87.620 > 14 51 Sr 0.99783972288080 0.16714985539082 0.27607164398067 87.620 > 9 52 Sr 0.50216027711920 0.33285014460918 0.27607164398067 87.620 > 10 53 Sr 0.75216027711920 0.41714985539082 0.02607164398067 87.620 > 11 54 Sr 0.74783972288080 0.08285014460918 0.02607164398067 87.620 > 12 55 Sr 0.75000000000000 0.25000000000000 0.49799912530310 87.620 > 13 56 Sr 0.50000000000000 0.50000000000000 0.74799912530310 87.620 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.733300190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.744672340000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.876213740000001 Atomic positions (fractional): *1 As 0.16392661066382 0.75255863280049 0.49874371694813 74.922 > 1 2 As 0.16392661066382 0.75255863280049 0.99874371694813 74.922 > 1 3 As 0.33607338933619 0.74744136719951 0.49874371694813 74.922 > 2 4 As 0.33607338933619 0.74744136719951 0.99874371694813 74.922 > 2 5 As 0.08607338933618 0.50255863280049 0.37374371694813 74.922 > 3 6 As 0.08607338933618 0.50255863280049 0.87374371694813 74.922 > 3 7 As 0.41392661066381 0.99744136719951 0.37374371694813 74.922 > 4 8 As 0.41392661066381 0.99744136719951 0.87374371694813 74.922 > 4 *9 As 0.41536115518792 0.83028037076866 0.13392068223578 74.922 > 5 10 As 0.41536115518792 0.83028037076866 0.63392068223578 74.922 > 5 11 As 0.08463884481208 0.66971962923134 0.13392068223578 74.922 > 6 12 As 0.08463884481208 0.66971962923134 0.63392068223578 74.922 > 6 13 As 0.16536115518792 0.91971962923134 0.25892068223578 74.922 > 7 14 As 0.16536115518792 0.91971962923134 0.75892068223578 74.922 > 7 15 As 0.33463884481208 0.58028037076866 0.25892068223578 74.922 > 8 16 As 0.33463884481208 0.58028037076866 0.75892068223578 74.922 > 8 17 As 0.16392661066382 0.25255863280049 0.24874371694813 74.922 > 1 18 As 0.16392661066382 0.25255863280049 0.74874371694813 74.922 > 1 19 As 0.33607338933619 0.24744136719951 0.24874371694813 74.922 > 2 20 As 0.33607338933619 0.24744136719951 0.74874371694813 74.922 > 2 21 As 0.08607338933618 0.00255863280049 0.12374371694813 74.922 > 3 22 As 0.08607338933618 0.00255863280049 0.62374371694813 74.922 > 3 23 As 0.41392661066381 0.49744136719951 0.12374371694813 74.922 > 4 24 As 0.41392661066381 0.49744136719951 0.62374371694813 74.922 > 4 25 As 0.41536115518792 0.33028037076866 0.38392068223578 74.922 > 5 26 As 0.41536115518792 0.33028037076866 0.88392068223578 74.922 > 5 27 As 0.08463884481208 0.16971962923134 0.38392068223578 74.922 > 6 28 As 0.08463884481208 0.16971962923134 0.88392068223578 74.922 > 6 29 As 0.16536115518792 0.41971962923134 0.00892068223578 74.922 > 7 30 As 0.16536115518792 0.41971962923134 0.50892068223578 74.922 > 7 31 As 0.33463884481208 0.08028037076866 0.00892068223578 74.922 > 8 32 As 0.33463884481208 0.08028037076866 0.50892068223578 74.922 > 8 33 As 0.66392661066381 0.75255863280049 0.24874371694813 74.922 > 1 34 As 0.66392661066381 0.75255863280049 0.74874371694813 74.922 > 1 35 As 0.83607338933619 0.74744136719951 0.24874371694813 74.922 > 2 36 As 0.83607338933619 0.74744136719951 0.74874371694813 74.922 > 2 37 As 0.58607338933619 0.50255863280049 0.12374371694813 74.922 > 3 38 As 0.58607338933619 0.50255863280049 0.62374371694813 74.922 > 3 39 As 0.91392661066381 0.99744136719951 0.12374371694813 74.922 > 4 40 As 0.91392661066381 0.99744136719951 0.62374371694813 74.922 > 4 41 As 0.91536115518792 0.83028037076866 0.38392068223578 74.922 > 5 42 As 0.91536115518792 0.83028037076866 0.88392068223578 74.922 > 5 43 As 0.58463884481208 0.66971962923134 0.38392068223578 74.922 > 6 44 As 0.58463884481208 0.66971962923134 0.88392068223578 74.922 > 6 45 As 0.66536115518792 0.91971962923134 0.00892068223578 74.922 > 7 46 As 0.66536115518792 0.91971962923134 0.50892068223578 74.922 > 7 47 As 0.83463884481208 0.58028037076866 0.00892068223578 74.922 > 8 48 As 0.83463884481208 0.58028037076866 0.50892068223578 74.922 > 8 49 As 0.66392661066381 0.25255863280049 0.49874371694813 74.922 > 1 50 As 0.66392661066381 0.25255863280049 0.99874371694813 74.922 > 1 51 As 0.83607338933619 0.24744136719951 0.49874371694813 74.922 > 2 52 As 0.83607338933619 0.24744136719951 0.99874371694813 74.922 > 2 53 As 0.58607338933619 0.00255863280049 0.37374371694813 74.922 > 3 54 As 0.58607338933619 0.00255863280049 0.87374371694813 74.922 > 3 55 As 0.91392661066381 0.49744136719951 0.37374371694813 74.922 > 4 56 As 0.91392661066381 0.49744136719951 0.87374371694813 74.922 > 4 57 As 0.91536115518792 0.33028037076866 0.13392068223578 74.922 > 5 58 As 0.91536115518792 0.33028037076866 0.63392068223578 74.922 > 5 59 As 0.58463884481208 0.16971962923134 0.13392068223578 74.922 > 6 60 As 0.58463884481208 0.16971962923134 0.63392068223578 74.922 > 6 61 As 0.66536115518792 0.41971962923134 0.25892068223578 74.922 > 7 62 As 0.66536115518792 0.41971962923134 0.75892068223578 74.922 > 7 63 As 0.83463884481208 0.08028037076866 0.25892068223578 74.922 > 8 64 As 0.83463884481208 0.08028037076866 0.75892068223578 74.922 > 8 *65 Sr 0.49783972288080 0.66714985539082 0.13803582199033 87.620 > 9 66 Sr 0.49783972288080 0.66714985539082 0.63803582199033 87.620 > 9 67 Sr 0.00216027711920 0.83285014460918 0.13803582199033 87.620 > 10 68 Sr 0.00216027711920 0.83285014460918 0.63803582199033 87.620 > 10 69 Sr 0.25216027711920 0.91714985539082 0.01303582199033 87.620 > 11 70 Sr 0.25216027711920 0.91714985539082 0.51303582199033 87.620 > 11 71 Sr 0.24783972288080 0.58285014460918 0.01303582199033 87.620 > 12 72 Sr 0.24783972288080 0.58285014460918 0.51303582199033 87.620 > 12 *73 Sr 0.25000000000000 0.75000000000000 0.24899956265155 87.620 > 13 74 Sr 0.25000000000000 0.75000000000000 0.74899956265155 87.620 > 13 75 Sr 0.00000000000000 0.00000000000000 0.37399956265155 87.620 > 14 76 Sr 0.00000000000000 0.00000000000000 0.87399956265155 87.620 > 14 77 Sr 0.49783972288080 0.16714985539082 0.38803582199033 87.620 > 9 78 Sr 0.49783972288080 0.16714985539082 0.88803582199033 87.620 > 9 79 Sr 0.00216027711920 0.33285014460918 0.38803582199033 87.620 > 10 80 Sr 0.00216027711920 0.33285014460918 0.88803582199033 87.620 > 10 81 Sr 0.25216027711920 0.41714985539082 0.26303582199033 87.620 > 11 82 Sr 0.25216027711920 0.41714985539082 0.76303582199033 87.620 > 11 83 Sr 0.24783972288080 0.08285014460918 0.26303582199033 87.620 > 12 84 Sr 0.24783972288080 0.08285014460918 0.76303582199033 87.620 > 12 85 Sr 0.25000000000000 0.25000000000000 0.49899956265155 87.620 > 13 86 Sr 0.25000000000000 0.25000000000000 0.99899956265155 87.620 > 13 87 Sr 0.00000000000000 0.50000000000000 0.12399956265155 87.620 > 14 88 Sr 0.00000000000000 0.50000000000000 0.62399956265155 87.620 > 14 89 Sr 0.99783972288080 0.66714985539082 0.38803582199033 87.620 > 9 90 Sr 0.99783972288080 0.66714985539082 0.88803582199033 87.620 > 9 91 Sr 0.50216027711920 0.83285014460918 0.38803582199033 87.620 > 10 92 Sr 0.50216027711920 0.83285014460918 0.88803582199033 87.620 > 10 93 Sr 0.75216027711920 0.91714985539082 0.26303582199033 87.620 > 11 94 Sr 0.75216027711920 0.91714985539082 0.76303582199033 87.620 > 11 95 Sr 0.74783972288080 0.58285014460918 0.26303582199033 87.620 > 12 96 Sr 0.74783972288080 0.58285014460918 0.76303582199033 87.620 > 12 97 Sr 0.75000000000000 0.75000000000000 0.49899956265155 87.620 > 13 98 Sr 0.75000000000000 0.75000000000000 0.99899956265155 87.620 > 13 99 Sr 0.50000000000000 0.00000000000000 0.12399956265155 87.620 > 14 100 Sr 0.50000000000000 0.00000000000000 0.62399956265155 87.620 > 14 101 Sr 0.99783972288080 0.16714985539082 0.13803582199033 87.620 > 9 102 Sr 0.99783972288080 0.16714985539082 0.63803582199033 87.620 > 9 103 Sr 0.50216027711920 0.33285014460918 0.13803582199033 87.620 > 10 104 Sr 0.50216027711920 0.33285014460918 0.63803582199033 87.620 > 10 105 Sr 0.75216027711920 0.41714985539082 0.01303582199033 87.620 > 11 106 Sr 0.75216027711920 0.41714985539082 0.51303582199033 87.620 > 11 107 Sr 0.74783972288080 0.08285014460918 0.01303582199033 87.620 > 12 108 Sr 0.74783972288080 0.08285014460918 0.51303582199033 87.620 > 12 109 Sr 0.75000000000000 0.25000000000000 0.24899956265155 87.620 > 13 110 Sr 0.75000000000000 0.25000000000000 0.74899956265155 87.620 > 13 111 Sr 0.50000000000000 0.50000000000000 0.37399956265155 87.620 > 14 112 Sr 0.50000000000000 0.50000000000000 0.87399956265155 87.620 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.6467729 0.0000000 0.0000000 0.0000000 11.2359739 0.0000000 0.0000000 0.0000000 10.4527323 -------------------------- Born effective charges -------------------------- 1 As -0.5982388 0.6945600 -0.8059950 0.2265465 -1.0185591 -0.7115793 -0.5764338 -0.5582938 -1.1805937 2 As -0.5982388 0.6945600 0.8059950 0.2265465 -1.0185591 0.7115793 0.5764338 0.5582938 -1.1805937 3 As -0.5982388 -0.6945600 0.8059950 -0.2265465 -1.0185591 -0.7115793 0.5764338 -0.5582938 -1.1805937 4 As -0.5982388 -0.6945600 -0.8059950 -0.2265465 -1.0185591 0.7115793 -0.5764338 0.5582938 -1.1805937 5 As -2.8891486 -0.6091887 -1.0374442 -0.4117057 -2.8283888 -0.6847874 -0.2675655 -0.1555774 -2.4408327 6 As -2.8891486 -0.6091887 1.0374442 -0.4117057 -2.8283888 0.6847874 0.2675655 0.1555774 -2.4408327 7 As -2.8891486 0.6091887 -1.0374442 0.4117057 -2.8283888 0.6847874 -0.2675655 0.1555774 -2.4408327 8 As -2.8891486 0.6091887 1.0374442 0.4117057 -2.8283888 -0.6847874 0.2675655 -0.1555774 -2.4408327 9 Sr 2.7406851 -0.1744208 0.4667794 0.3852706 2.6234853 -0.3068530 0.2931180 -0.4035492 2.2102789 10 Sr 2.7406851 -0.1744208 -0.4667794 0.3852706 2.6234853 0.3068530 -0.2931180 0.4035492 2.2102789 11 Sr 2.7406851 0.1744208 -0.4667794 -0.3852706 2.6234853 -0.3068530 -0.2931180 -0.4035492 2.2102789 12 Sr 2.7406851 0.1744208 0.4667794 -0.3852706 2.6234853 0.3068530 0.2931180 0.4035492 2.2102789 13 Sr 1.4934046 -1.2508307 0.0000000 -0.3694087 2.4469253 0.0000000 0.0000000 0.0000000 2.8222950 14 Sr 1.4934046 1.2508307 0.0000000 0.3694087 2.4469253 0.0000000 0.0000000 0.0000000 2.8222950 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 9798/9798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1808 Number of blocks in projector: 1808 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1808, 1776), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 2.947 Solver_block: 200 / 480 - Time: 2.868 Solver_block: 300 / 480 - Time: 2.859 Solver_block: 400 / 480 - Time: 2.860 Solver_block: 480 / 480 - Time: 2.324 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.910 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9798/9798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1808 Number of blocks in projector: 1808 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1808, 1776), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), 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 01:19:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:19:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fdd2 (43) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 8.872336170000001 2.969053435000000 b 7.366650095000000 0.000000000000000 2.969053435000000 c 7.366650095000000 8.872336170000001 0.000000000000000 Atomic positions (fractional): 1 As 0.58611945603293 0.40885541175958 0.91899780956805 74.922 2 As 0.40885541175958 0.58611945603293 0.08602732263944 74.922 3 As 0.16397267736056 0.33100219043195 0.84114458824042 74.922 4 As 0.33100219043195 0.16397267736056 0.66388054396707 74.922 5 As 0.68276058005231 0.85292214889082 0.97780016148501 74.922 6 As 0.85292214889082 0.68276058005231 0.48651710957185 74.922 7 As 0.27219983851499 0.76348289042815 0.56723941994769 74.922 8 As 0.76348289042815 0.27219983851499 0.39707785110918 74.922 9 Sr 0.44538177649068 0.10676151147065 0.88891793429096 87.620 10 Sr 0.10676151147065 0.44538177649068 0.55893877774771 87.620 11 Sr 0.69106122225229 0.36108206570904 0.14323848852935 87.620 12 Sr 0.36108206570904 0.69106122225229 0.80461822350932 87.620 13 Sr 0.99799912530310 0.99799912530310 0.50200087469690 87.620 14 Sr 0.74799912530310 0.74799912530310 0.25200087469690 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.733300190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.744672340000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.876213740000001 Atomic positions (fractional): 1 As 0.16392661066382 0.75255863280049 0.49874371694813 74.922 > 1 2 As 0.16392661066382 0.75255863280049 0.99874371694813 74.922 > 1 3 As 0.33607338933619 0.74744136719951 0.49874371694813 74.922 > 3 4 As 0.33607338933619 0.74744136719951 0.99874371694813 74.922 > 3 5 As 0.08607338933618 0.50255863280049 0.37374371694813 74.922 > 5 6 As 0.08607338933618 0.50255863280049 0.87374371694813 74.922 > 5 7 As 0.41392661066381 0.99744136719951 0.37374371694813 74.922 > 7 8 As 0.41392661066381 0.99744136719951 0.87374371694813 74.922 > 7 9 As 0.41536115518792 0.83028037076866 0.13392068223578 74.922 > 9 10 As 0.41536115518792 0.83028037076866 0.63392068223578 74.922 > 9 11 As 0.08463884481208 0.66971962923134 0.13392068223578 74.922 > 11 12 As 0.08463884481208 0.66971962923134 0.63392068223578 74.922 > 11 13 As 0.16536115518792 0.91971962923134 0.25892068223578 74.922 > 13 14 As 0.16536115518792 0.91971962923134 0.75892068223578 74.922 > 13 15 As 0.33463884481208 0.58028037076866 0.25892068223578 74.922 > 15 16 As 0.33463884481208 0.58028037076866 0.75892068223578 74.922 > 15 17 As 0.16392661066382 0.25255863280049 0.24874371694813 74.922 > 1 18 As 0.16392661066382 0.25255863280049 0.74874371694813 74.922 > 1 19 As 0.33607338933619 0.24744136719951 0.24874371694813 74.922 > 3 20 As 0.33607338933619 0.24744136719951 0.74874371694813 74.922 > 3 21 As 0.08607338933618 0.00255863280049 0.12374371694813 74.922 > 5 22 As 0.08607338933618 0.00255863280049 0.62374371694813 74.922 > 5 23 As 0.41392661066381 0.49744136719951 0.12374371694813 74.922 > 7 24 As 0.41392661066381 0.49744136719951 0.62374371694813 74.922 > 7 25 As 0.41536115518792 0.33028037076866 0.38392068223578 74.922 > 9 26 As 0.41536115518792 0.33028037076866 0.88392068223578 74.922 > 9 27 As 0.08463884481208 0.16971962923134 0.38392068223578 74.922 > 11 28 As 0.08463884481208 0.16971962923134 0.88392068223578 74.922 > 11 29 As 0.16536115518792 0.41971962923134 0.00892068223578 74.922 > 13 30 As 0.16536115518792 0.41971962923134 0.50892068223578 74.922 > 13 31 As 0.33463884481208 0.08028037076866 0.00892068223578 74.922 > 15 32 As 0.33463884481208 0.08028037076866 0.50892068223578 74.922 > 15 33 As 0.66392661066381 0.75255863280049 0.24874371694813 74.922 > 1 34 As 0.66392661066381 0.75255863280049 0.74874371694813 74.922 > 1 35 As 0.83607338933619 0.74744136719951 0.24874371694813 74.922 > 3 36 As 0.83607338933619 0.74744136719951 0.74874371694813 74.922 > 3 37 As 0.58607338933619 0.50255863280049 0.12374371694813 74.922 > 5 38 As 0.58607338933619 0.50255863280049 0.62374371694813 74.922 > 5 39 As 0.91392661066381 0.99744136719951 0.12374371694813 74.922 > 7 40 As 0.91392661066381 0.99744136719951 0.62374371694813 74.922 > 7 41 As 0.91536115518792 0.83028037076866 0.38392068223578 74.922 > 9 42 As 0.91536115518792 0.83028037076866 0.88392068223578 74.922 > 9 43 As 0.58463884481208 0.66971962923134 0.38392068223578 74.922 > 11 44 As 0.58463884481208 0.66971962923134 0.88392068223578 74.922 > 11 45 As 0.66536115518792 0.91971962923134 0.00892068223578 74.922 > 13 46 As 0.66536115518792 0.91971962923134 0.50892068223578 74.922 > 13 47 As 0.83463884481208 0.58028037076866 0.00892068223578 74.922 > 15 48 As 0.83463884481208 0.58028037076866 0.50892068223578 74.922 > 15 49 As 0.66392661066381 0.25255863280049 0.49874371694813 74.922 > 1 50 As 0.66392661066381 0.25255863280049 0.99874371694813 74.922 > 1 51 As 0.83607338933619 0.24744136719951 0.49874371694813 74.922 > 3 52 As 0.83607338933619 0.24744136719951 0.99874371694813 74.922 > 3 53 As 0.58607338933619 0.00255863280049 0.37374371694813 74.922 > 5 54 As 0.58607338933619 0.00255863280049 0.87374371694813 74.922 > 5 55 As 0.91392661066381 0.49744136719951 0.37374371694813 74.922 > 7 56 As 0.91392661066381 0.49744136719951 0.87374371694813 74.922 > 7 57 As 0.91536115518792 0.33028037076866 0.13392068223578 74.922 > 9 58 As 0.91536115518792 0.33028037076866 0.63392068223578 74.922 > 9 59 As 0.58463884481208 0.16971962923134 0.13392068223578 74.922 > 11 60 As 0.58463884481208 0.16971962923134 0.63392068223578 74.922 > 11 61 As 0.66536115518792 0.41971962923134 0.25892068223578 74.922 > 13 62 As 0.66536115518792 0.41971962923134 0.75892068223578 74.922 > 13 63 As 0.83463884481208 0.08028037076866 0.25892068223578 74.922 > 15 64 As 0.83463884481208 0.08028037076866 0.75892068223578 74.922 > 15 65 Sr 0.49783972288080 0.66714985539082 0.13803582199033 87.620 > 65 66 Sr 0.49783972288080 0.66714985539082 0.63803582199033 87.620 > 65 67 Sr 0.00216027711920 0.83285014460918 0.13803582199033 87.620 > 67 68 Sr 0.00216027711920 0.83285014460918 0.63803582199033 87.620 > 67 69 Sr 0.25216027711920 0.91714985539082 0.01303582199033 87.620 > 69 70 Sr 0.25216027711920 0.91714985539082 0.51303582199033 87.620 > 69 71 Sr 0.24783972288080 0.58285014460918 0.01303582199033 87.620 > 71 72 Sr 0.24783972288080 0.58285014460918 0.51303582199033 87.620 > 71 73 Sr 0.25000000000000 0.75000000000000 0.24899956265155 87.620 > 73 74 Sr 0.25000000000000 0.75000000000000 0.74899956265155 87.620 > 73 75 Sr 0.00000000000000 0.00000000000000 0.37399956265155 87.620 > 75 76 Sr 0.00000000000000 0.00000000000000 0.87399956265155 87.620 > 75 77 Sr 0.49783972288080 0.16714985539082 0.38803582199033 87.620 > 65 78 Sr 0.49783972288080 0.16714985539082 0.88803582199033 87.620 > 65 79 Sr 0.00216027711920 0.33285014460918 0.38803582199033 87.620 > 67 80 Sr 0.00216027711920 0.33285014460918 0.88803582199033 87.620 > 67 81 Sr 0.25216027711920 0.41714985539082 0.26303582199033 87.620 > 69 82 Sr 0.25216027711920 0.41714985539082 0.76303582199033 87.620 > 69 83 Sr 0.24783972288080 0.08285014460918 0.26303582199033 87.620 > 71 84 Sr 0.24783972288080 0.08285014460918 0.76303582199033 87.620 > 71 85 Sr 0.25000000000000 0.25000000000000 0.49899956265155 87.620 > 73 86 Sr 0.25000000000000 0.25000000000000 0.99899956265155 87.620 > 73 87 Sr 0.00000000000000 0.50000000000000 0.12399956265155 87.620 > 75 88 Sr 0.00000000000000 0.50000000000000 0.62399956265155 87.620 > 75 89 Sr 0.99783972288080 0.66714985539082 0.38803582199033 87.620 > 65 90 Sr 0.99783972288080 0.66714985539082 0.88803582199033 87.620 > 65 91 Sr 0.50216027711920 0.83285014460918 0.38803582199033 87.620 > 67 92 Sr 0.50216027711920 0.83285014460918 0.88803582199033 87.620 > 67 93 Sr 0.75216027711920 0.91714985539082 0.26303582199033 87.620 > 69 94 Sr 0.75216027711920 0.91714985539082 0.76303582199033 87.620 > 69 95 Sr 0.74783972288080 0.58285014460918 0.26303582199033 87.620 > 71 96 Sr 0.74783972288080 0.58285014460918 0.76303582199033 87.620 > 71 97 Sr 0.75000000000000 0.75000000000000 0.49899956265155 87.620 > 73 98 Sr 0.75000000000000 0.75000000000000 0.99899956265155 87.620 > 73 99 Sr 0.50000000000000 0.00000000000000 0.12399956265155 87.620 > 75 100 Sr 0.50000000000000 0.00000000000000 0.62399956265155 87.620 > 75 101 Sr 0.99783972288080 0.16714985539082 0.13803582199033 87.620 > 65 102 Sr 0.99783972288080 0.16714985539082 0.63803582199033 87.620 > 65 103 Sr 0.50216027711920 0.33285014460918 0.13803582199033 87.620 > 67 104 Sr 0.50216027711920 0.33285014460918 0.63803582199033 87.620 > 67 105 Sr 0.75216027711920 0.41714985539082 0.01303582199033 87.620 > 69 106 Sr 0.75216027711920 0.41714985539082 0.51303582199033 87.620 > 69 107 Sr 0.74783972288080 0.08285014460918 0.01303582199033 87.620 > 71 108 Sr 0.74783972288080 0.08285014460918 0.51303582199033 87.620 > 71 109 Sr 0.75000000000000 0.25000000000000 0.24899956265155 87.620 > 73 110 Sr 0.75000000000000 0.25000000000000 0.74899956265155 87.620 > 73 111 Sr 0.50000000000000 0.50000000000000 0.37399956265155 87.620 > 75 112 Sr 0.50000000000000 0.50000000000000 0.87399956265155 87.620 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.6467729 0.0000000 0.0000000 0.0000000 11.2359739 0.0000000 0.0000000 0.0000000 10.4527323 -------------------------- Born effective charges -------------------------- 1 As -0.5982388 0.6945600 -0.8059950 0.2265465 -1.0185591 -0.7115793 -0.5764338 -0.5582938 -1.1805937 2 As -0.5982388 0.6945600 0.8059950 0.2265465 -1.0185591 0.7115793 0.5764338 0.5582938 -1.1805937 3 As -0.5982388 -0.6945600 0.8059950 -0.2265465 -1.0185591 -0.7115793 0.5764338 -0.5582938 -1.1805937 4 As -0.5982388 -0.6945600 -0.8059950 -0.2265465 -1.0185591 0.7115793 -0.5764338 0.5582938 -1.1805937 5 As -2.8891486 -0.6091887 -1.0374442 -0.4117057 -2.8283888 -0.6847874 -0.2675655 -0.1555774 -2.4408327 6 As -2.8891486 -0.6091887 1.0374442 -0.4117057 -2.8283888 0.6847874 0.2675655 0.1555774 -2.4408327 7 As -2.8891486 0.6091887 -1.0374442 0.4117057 -2.8283888 0.6847874 -0.2675655 0.1555774 -2.4408327 8 As -2.8891486 0.6091887 1.0374442 0.4117057 -2.8283888 -0.6847874 0.2675655 -0.1555774 -2.4408327 9 Sr 2.7406851 -0.1744208 0.4667794 0.3852706 2.6234853 -0.3068530 0.2931180 -0.4035492 2.2102789 10 Sr 2.7406851 -0.1744208 -0.4667794 0.3852706 2.6234853 0.3068530 -0.2931180 0.4035492 2.2102789 11 Sr 2.7406851 0.1744208 -0.4667794 -0.3852706 2.6234853 -0.3068530 -0.2931180 -0.4035492 2.2102789 12 Sr 2.7406851 0.1744208 0.4667794 -0.3852706 2.6234853 0.3068530 0.2931180 0.4035492 2.2102789 13 Sr 1.4934046 -1.2508307 0.0000000 -0.3694087 2.4469253 0.0000000 0.0000000 0.0000000 2.8222950 14 Sr 1.4934046 1.2508307 0.0000000 0.3694087 2.4469253 0.0000000 0.0000000 0.0000000 2.8222950 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 01:19:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:19:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fdd2 (43) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 8.872336170000001 2.969053435000000 b 7.366650095000000 0.000000000000000 2.969053435000000 c 7.366650095000000 8.872336170000001 0.000000000000000 Atomic positions (fractional): 1 As 0.58611945603293 0.40885541175958 0.91899780956805 74.922 2 As 0.40885541175958 0.58611945603293 0.08602732263944 74.922 3 As 0.16397267736056 0.33100219043195 0.84114458824042 74.922 4 As 0.33100219043195 0.16397267736056 0.66388054396707 74.922 5 As 0.68276058005231 0.85292214889082 0.97780016148501 74.922 6 As 0.85292214889082 0.68276058005231 0.48651710957185 74.922 7 As 0.27219983851499 0.76348289042815 0.56723941994769 74.922 8 As 0.76348289042815 0.27219983851499 0.39707785110918 74.922 9 Sr 0.44538177649068 0.10676151147065 0.88891793429096 87.620 10 Sr 0.10676151147065 0.44538177649068 0.55893877774771 87.620 11 Sr 0.69106122225229 0.36108206570904 0.14323848852935 87.620 12 Sr 0.36108206570904 0.69106122225229 0.80461822350932 87.620 13 Sr 0.99799912530310 0.99799912530310 0.50200087469690 87.620 14 Sr 0.74799912530310 0.74799912530310 0.25200087469690 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.733300190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.744672340000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.876213740000001 Atomic positions (fractional): 1 As 0.16392661066382 0.75255863280049 0.49874371694813 74.922 > 1 2 As 0.16392661066382 0.75255863280049 0.99874371694813 74.922 > 1 3 As 0.33607338933619 0.74744136719951 0.49874371694813 74.922 > 3 4 As 0.33607338933619 0.74744136719951 0.99874371694813 74.922 > 3 5 As 0.08607338933618 0.50255863280049 0.37374371694813 74.922 > 5 6 As 0.08607338933618 0.50255863280049 0.87374371694813 74.922 > 5 7 As 0.41392661066381 0.99744136719951 0.37374371694813 74.922 > 7 8 As 0.41392661066381 0.99744136719951 0.87374371694813 74.922 > 7 9 As 0.41536115518792 0.83028037076866 0.13392068223578 74.922 > 9 10 As 0.41536115518792 0.83028037076866 0.63392068223578 74.922 > 9 11 As 0.08463884481208 0.66971962923134 0.13392068223578 74.922 > 11 12 As 0.08463884481208 0.66971962923134 0.63392068223578 74.922 > 11 13 As 0.16536115518792 0.91971962923134 0.25892068223578 74.922 > 13 14 As 0.16536115518792 0.91971962923134 0.75892068223578 74.922 > 13 15 As 0.33463884481208 0.58028037076866 0.25892068223578 74.922 > 15 16 As 0.33463884481208 0.58028037076866 0.75892068223578 74.922 > 15 17 As 0.16392661066382 0.25255863280049 0.24874371694813 74.922 > 1 18 As 0.16392661066382 0.25255863280049 0.74874371694813 74.922 > 1 19 As 0.33607338933619 0.24744136719951 0.24874371694813 74.922 > 3 20 As 0.33607338933619 0.24744136719951 0.74874371694813 74.922 > 3 21 As 0.08607338933618 0.00255863280049 0.12374371694813 74.922 > 5 22 As 0.08607338933618 0.00255863280049 0.62374371694813 74.922 > 5 23 As 0.41392661066381 0.49744136719951 0.12374371694813 74.922 > 7 24 As 0.41392661066381 0.49744136719951 0.62374371694813 74.922 > 7 25 As 0.41536115518792 0.33028037076866 0.38392068223578 74.922 > 9 26 As 0.41536115518792 0.33028037076866 0.88392068223578 74.922 > 9 27 As 0.08463884481208 0.16971962923134 0.38392068223578 74.922 > 11 28 As 0.08463884481208 0.16971962923134 0.88392068223578 74.922 > 11 29 As 0.16536115518792 0.41971962923134 0.00892068223578 74.922 > 13 30 As 0.16536115518792 0.41971962923134 0.50892068223578 74.922 > 13 31 As 0.33463884481208 0.08028037076866 0.00892068223578 74.922 > 15 32 As 0.33463884481208 0.08028037076866 0.50892068223578 74.922 > 15 33 As 0.66392661066381 0.75255863280049 0.24874371694813 74.922 > 1 34 As 0.66392661066381 0.75255863280049 0.74874371694813 74.922 > 1 35 As 0.83607338933619 0.74744136719951 0.24874371694813 74.922 > 3 36 As 0.83607338933619 0.74744136719951 0.74874371694813 74.922 > 3 37 As 0.58607338933619 0.50255863280049 0.12374371694813 74.922 > 5 38 As 0.58607338933619 0.50255863280049 0.62374371694813 74.922 > 5 39 As 0.91392661066381 0.99744136719951 0.12374371694813 74.922 > 7 40 As 0.91392661066381 0.99744136719951 0.62374371694813 74.922 > 7 41 As 0.91536115518792 0.83028037076866 0.38392068223578 74.922 > 9 42 As 0.91536115518792 0.83028037076866 0.88392068223578 74.922 > 9 43 As 0.58463884481208 0.66971962923134 0.38392068223578 74.922 > 11 44 As 0.58463884481208 0.66971962923134 0.88392068223578 74.922 > 11 45 As 0.66536115518792 0.91971962923134 0.00892068223578 74.922 > 13 46 As 0.66536115518792 0.91971962923134 0.50892068223578 74.922 > 13 47 As 0.83463884481208 0.58028037076866 0.00892068223578 74.922 > 15 48 As 0.83463884481208 0.58028037076866 0.50892068223578 74.922 > 15 49 As 0.66392661066381 0.25255863280049 0.49874371694813 74.922 > 1 50 As 0.66392661066381 0.25255863280049 0.99874371694813 74.922 > 1 51 As 0.83607338933619 0.24744136719951 0.49874371694813 74.922 > 3 52 As 0.83607338933619 0.24744136719951 0.99874371694813 74.922 > 3 53 As 0.58607338933619 0.00255863280049 0.37374371694813 74.922 > 5 54 As 0.58607338933619 0.00255863280049 0.87374371694813 74.922 > 5 55 As 0.91392661066381 0.49744136719951 0.37374371694813 74.922 > 7 56 As 0.91392661066381 0.49744136719951 0.87374371694813 74.922 > 7 57 As 0.91536115518792 0.33028037076866 0.13392068223578 74.922 > 9 58 As 0.91536115518792 0.33028037076866 0.63392068223578 74.922 > 9 59 As 0.58463884481208 0.16971962923134 0.13392068223578 74.922 > 11 60 As 0.58463884481208 0.16971962923134 0.63392068223578 74.922 > 11 61 As 0.66536115518792 0.41971962923134 0.25892068223578 74.922 > 13 62 As 0.66536115518792 0.41971962923134 0.75892068223578 74.922 > 13 63 As 0.83463884481208 0.08028037076866 0.25892068223578 74.922 > 15 64 As 0.83463884481208 0.08028037076866 0.75892068223578 74.922 > 15 65 Sr 0.49783972288080 0.66714985539082 0.13803582199033 87.620 > 65 66 Sr 0.49783972288080 0.66714985539082 0.63803582199033 87.620 > 65 67 Sr 0.00216027711920 0.83285014460918 0.13803582199033 87.620 > 67 68 Sr 0.00216027711920 0.83285014460918 0.63803582199033 87.620 > 67 69 Sr 0.25216027711920 0.91714985539082 0.01303582199033 87.620 > 69 70 Sr 0.25216027711920 0.91714985539082 0.51303582199033 87.620 > 69 71 Sr 0.24783972288080 0.58285014460918 0.01303582199033 87.620 > 71 72 Sr 0.24783972288080 0.58285014460918 0.51303582199033 87.620 > 71 73 Sr 0.25000000000000 0.75000000000000 0.24899956265155 87.620 > 73 74 Sr 0.25000000000000 0.75000000000000 0.74899956265155 87.620 > 73 75 Sr 0.00000000000000 0.00000000000000 0.37399956265155 87.620 > 75 76 Sr 0.00000000000000 0.00000000000000 0.87399956265155 87.620 > 75 77 Sr 0.49783972288080 0.16714985539082 0.38803582199033 87.620 > 65 78 Sr 0.49783972288080 0.16714985539082 0.88803582199033 87.620 > 65 79 Sr 0.00216027711920 0.33285014460918 0.38803582199033 87.620 > 67 80 Sr 0.00216027711920 0.33285014460918 0.88803582199033 87.620 > 67 81 Sr 0.25216027711920 0.41714985539082 0.26303582199033 87.620 > 69 82 Sr 0.25216027711920 0.41714985539082 0.76303582199033 87.620 > 69 83 Sr 0.24783972288080 0.08285014460918 0.26303582199033 87.620 > 71 84 Sr 0.24783972288080 0.08285014460918 0.76303582199033 87.620 > 71 85 Sr 0.25000000000000 0.25000000000000 0.49899956265155 87.620 > 73 86 Sr 0.25000000000000 0.25000000000000 0.99899956265155 87.620 > 73 87 Sr 0.00000000000000 0.50000000000000 0.12399956265155 87.620 > 75 88 Sr 0.00000000000000 0.50000000000000 0.62399956265155 87.620 > 75 89 Sr 0.99783972288080 0.66714985539082 0.38803582199033 87.620 > 65 90 Sr 0.99783972288080 0.66714985539082 0.88803582199033 87.620 > 65 91 Sr 0.50216027711920 0.83285014460918 0.38803582199033 87.620 > 67 92 Sr 0.50216027711920 0.83285014460918 0.88803582199033 87.620 > 67 93 Sr 0.75216027711920 0.91714985539082 0.26303582199033 87.620 > 69 94 Sr 0.75216027711920 0.91714985539082 0.76303582199033 87.620 > 69 95 Sr 0.74783972288080 0.58285014460918 0.26303582199033 87.620 > 71 96 Sr 0.74783972288080 0.58285014460918 0.76303582199033 87.620 > 71 97 Sr 0.75000000000000 0.75000000000000 0.49899956265155 87.620 > 73 98 Sr 0.75000000000000 0.75000000000000 0.99899956265155 87.620 > 73 99 Sr 0.50000000000000 0.00000000000000 0.12399956265155 87.620 > 75 100 Sr 0.50000000000000 0.00000000000000 0.62399956265155 87.620 > 75 101 Sr 0.99783972288080 0.16714985539082 0.13803582199033 87.620 > 65 102 Sr 0.99783972288080 0.16714985539082 0.63803582199033 87.620 > 65 103 Sr 0.50216027711920 0.33285014460918 0.13803582199033 87.620 > 67 104 Sr 0.50216027711920 0.33285014460918 0.63803582199033 87.620 > 67 105 Sr 0.75216027711920 0.41714985539082 0.01303582199033 87.620 > 69 106 Sr 0.75216027711920 0.41714985539082 0.51303582199033 87.620 > 69 107 Sr 0.74783972288080 0.08285014460918 0.01303582199033 87.620 > 71 108 Sr 0.74783972288080 0.08285014460918 0.51303582199033 87.620 > 71 109 Sr 0.75000000000000 0.25000000000000 0.24899956265155 87.620 > 73 110 Sr 0.75000000000000 0.25000000000000 0.74899956265155 87.620 > 73 111 Sr 0.50000000000000 0.50000000000000 0.37399956265155 87.620 > 75 112 Sr 0.50000000000000 0.50000000000000 0.87399956265155 87.620 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.6467729 0.0000000 0.0000000 0.0000000 11.2359739 0.0000000 0.0000000 0.0000000 10.4527323 -------------------------- Born effective charges -------------------------- 1 As -0.5982388 0.6945600 -0.8059950 0.2265465 -1.0185591 -0.7115793 -0.5764338 -0.5582938 -1.1805937 2 As -0.5982388 0.6945600 0.8059950 0.2265465 -1.0185591 0.7115793 0.5764338 0.5582938 -1.1805937 3 As -0.5982388 -0.6945600 0.8059950 -0.2265465 -1.0185591 -0.7115793 0.5764338 -0.5582938 -1.1805937 4 As -0.5982388 -0.6945600 -0.8059950 -0.2265465 -1.0185591 0.7115793 -0.5764338 0.5582938 -1.1805937 5 As -2.8891486 -0.6091887 -1.0374442 -0.4117057 -2.8283888 -0.6847874 -0.2675655 -0.1555774 -2.4408327 6 As -2.8891486 -0.6091887 1.0374442 -0.4117057 -2.8283888 0.6847874 0.2675655 0.1555774 -2.4408327 7 As -2.8891486 0.6091887 -1.0374442 0.4117057 -2.8283888 0.6847874 -0.2675655 0.1555774 -2.4408327 8 As -2.8891486 0.6091887 1.0374442 0.4117057 -2.8283888 -0.6847874 0.2675655 -0.1555774 -2.4408327 9 Sr 2.7406851 -0.1744208 0.4667794 0.3852706 2.6234853 -0.3068530 0.2931180 -0.4035492 2.2102789 10 Sr 2.7406851 -0.1744208 -0.4667794 0.3852706 2.6234853 0.3068530 -0.2931180 0.4035492 2.2102789 11 Sr 2.7406851 0.1744208 -0.4667794 -0.3852706 2.6234853 -0.3068530 -0.2931180 -0.4035492 2.2102789 12 Sr 2.7406851 0.1744208 0.4667794 -0.3852706 2.6234853 0.3068530 0.2931180 0.4035492 2.2102789 13 Sr 1.4934046 -1.2508307 0.0000000 -0.3694087 2.4469253 0.0000000 0.0000000 0.0000000 2.8222950 14 Sr 1.4934046 1.2508307 0.0000000 0.3694087 2.4469253 0.0000000 0.0000000 0.0000000 2.8222950 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) 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 ... [ 10 10 10 ] 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: 0.57, Number of G-points: 297, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 -0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 -0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 -0.000) 0.000 3.342 ( 0.000 0.000 -0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 -0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 -0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -11.164 6.770 16.146) 20.764 0.428 ( -9.637 10.534 17.518) 22.599 0.735 ( -9.725 9.645 35.412) 37.968 1.677 ( -0.633 -3.213 8.032) 8.674 1.873 ( -0.601 -2.455 3.132) 4.025 2.001 ( -0.893 2.998 -1.320) 3.395 2.333 ( 4.919 -2.521 2.084) 5.908 2.373 ( 4.545 1.970 1.465) 5.166 2.422 ( -1.782 -2.149 0.475) 2.832 2.484 ( -1.298 4.329 0.128) 4.521 2.588 ( 0.339 -0.545 -1.780) 1.892 2.596 ( 1.317 -0.634 -0.518) 1.551 2.830 ( 1.345 -0.058 -2.467) 2.811 2.861 ( 2.531 -1.002 -0.956) 2.885 2.901 ( -6.044 0.008 -1.342) 6.191 2.954 ( 7.065 -1.751 1.924) 7.529 3.057 ( -7.283 -3.007 -1.094) 7.955 3.163 ( 1.955 3.452 -0.237) 3.974 3.366 ( -1.443 -0.990 1.630) 2.392 3.408 ( 0.447 0.754 0.543) 1.032 3.608 ( 1.819 -1.413 -0.119) 2.306 3.690 ( -4.314 -5.298 -0.887) 6.890 3.781 ( -0.126 -4.354 -0.340) 4.369 3.823 ( -0.944 1.153 -1.460) 2.086 3.845 ( -1.756 5.319 -1.371) 5.767 3.932 ( -9.406 -1.820 -2.101) 9.808 4.042 ( -1.347 2.163 -5.468) 6.032 4.179 ( 1.058 1.607 -0.466) 1.979 4.276 ( 0.885 0.198 -1.476) 1.732 4.309 ( -0.762 2.751 3.671) 4.651 4.445 ( 0.030 -2.453 -1.391) 2.820 4.515 ( 1.334 -3.631 0.294) 3.879 4.575 ( -0.934 -0.447 -0.164) 1.048 4.654 ( 0.196 -1.037 0.956) 1.424 4.885 ( 0.743 -0.195 -1.109) 1.349 5.125 ( 17.477 5.683 0.230) 18.379 5.592 ( 0.294 0.488 1.067) 1.209 5.749 ( 1.685 -0.483 1.111) 2.075 6.690 ( 0.045 3.076 -0.066) 3.077 6.801 ( -0.561 0.138 -0.453) 0.734 6.897 ( 2.435 -0.179 0.296) 2.459 6.972 ( -4.781 -1.228 -1.712) 5.224 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -9.780 6.183 15.092) 19.017 0.831 ( -9.317 9.603 15.729) 20.650 1.408 ( -6.735 8.603 30.546) 32.442 1.808 ( -0.060 -6.410 9.296) 11.292 1.933 ( -0.761 -4.535 5.621) 7.262 2.032 ( -1.311 6.297 1.680) 6.648 2.288 ( 7.952 -1.710 -0.184) 8.136 2.366 ( 6.210 1.167 0.415) 6.333 2.452 ( 0.288 0.142 2.761) 2.780 2.520 ( -2.302 -1.656 1.242) 3.096 2.547 ( -0.024 -1.393 -2.018) 2.452 2.601 ( -2.234 1.045 1.075) 2.691 2.768 ( 0.092 -1.003 -3.290) 3.441 2.812 ( 1.705 1.464 -2.797) 3.588 2.897 ( -0.496 -2.786 -0.724) 2.921 2.948 ( -1.516 1.488 -0.610) 2.210 3.068 ( -4.013 -2.458 0.006) 4.706 3.169 ( 2.849 1.342 1.375) 3.436 3.377 ( -0.271 -2.835 -0.373) 2.872 3.429 ( 0.751 1.266 1.056) 1.811 3.581 ( 0.760 -3.312 0.010) 3.398 3.689 ( -3.249 -4.405 0.046) 5.473 3.732 ( 0.481 -1.119 -2.521) 2.799 3.817 ( -0.923 1.328 -0.423) 1.672 3.868 ( -2.448 0.574 0.302) 2.532 3.940 ( -3.331 -0.522 -2.181) 4.016 3.987 ( -4.948 3.310 -4.465) 7.442 4.169 ( 1.534 1.087 -0.723) 2.014 4.240 ( 1.511 0.946 -1.793) 2.528 4.372 ( 1.347 1.274 0.674) 1.973 4.407 ( -0.608 -2.641 -0.220) 2.719 4.489 ( 0.224 -0.702 -0.878) 1.147 4.572 ( -0.352 -1.042 -0.378) 1.163 4.657 ( -0.559 -2.655 0.514) 2.762 4.847 ( 1.994 0.424 -2.288) 3.065 5.019 ( 9.531 5.189 -5.010) 11.952 5.618 ( 0.401 0.817 1.746) 1.969 5.752 ( 1.772 -0.513 0.927) 2.065 6.712 ( -0.608 1.582 0.761) 1.858 6.796 ( -1.022 0.102 -0.808) 1.307 6.881 ( 1.762 -0.192 -0.324) 1.802 6.967 ( -1.847 -0.431 -1.080) 2.182 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -7.593 5.117 12.669) 15.631 1.185 ( -8.380 8.115 12.918) 17.406 1.831 ( 1.466 -0.776 9.742) 9.882 1.959 ( -1.185 -1.388 12.624) 12.755 2.011 ( 0.557 -2.221 5.931) 6.357 2.148 ( -1.620 3.565 6.760) 7.812 2.225 ( 5.495 0.474 -1.164) 5.637 2.302 ( 4.606 0.987 -3.290) 5.746 2.481 ( 3.783 -2.424 2.907) 5.351 2.530 ( -0.115 -1.355 0.711) 1.535 2.551 ( -2.104 -2.596 2.928) 4.444 2.649 ( -4.961 0.350 1.136) 5.101 2.730 ( 2.217 1.936 -0.997) 3.107 2.791 ( -3.239 2.177 -0.573) 3.945 2.876 ( -0.728 -1.307 -0.199) 1.509 2.955 ( -3.014 1.128 -0.913) 3.345 3.098 ( -2.742 -0.329 1.911) 3.358 3.187 ( 3.386 0.047 2.758) 4.367 3.321 ( 1.106 -4.116 -3.414) 5.461 3.427 ( -0.922 -1.202 -1.425) 2.080 3.566 ( 1.194 -0.989 -0.405) 1.602 3.632 ( 1.984 -1.608 -2.545) 3.605 3.735 ( -3.032 -1.713 0.530) 3.523 3.829 ( -1.682 1.356 -0.730) 2.280 3.897 ( -1.376 -1.034 1.650) 2.385 3.915 ( -3.406 2.400 -2.668) 4.948 3.988 ( -4.933 0.872 -1.610) 5.262 4.142 ( 2.146 -0.765 -0.893) 2.447 4.219 ( 0.632 1.854 -0.768) 2.104 4.327 ( 1.410 -0.622 -2.982) 3.357 4.391 ( 2.493 -3.211 -0.851) 4.153 4.490 ( -0.463 -0.007 0.302) 0.553 4.548 ( -0.189 -3.857 -0.548) 3.900 4.659 ( -3.311 -0.976 -0.259) 3.462 4.788 ( 3.845 2.379 -3.222) 5.552 4.905 ( 6.630 5.551 -5.149) 10.064 5.651 ( 0.281 0.907 1.777) 2.015 5.750 ( 1.517 -0.524 0.550) 1.697 6.739 ( -0.816 0.870 1.038) 1.581 6.789 ( -1.191 -0.062 -0.832) 1.454 6.861 ( 1.452 -0.087 -0.601) 1.574 6.957 ( -0.607 -0.018 -0.864) 1.056 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -4.550 3.259 7.924) 9.701 1.459 ( -6.017 5.675 8.581) 11.919 1.906 ( 2.183 -3.174 4.814) 6.166 2.051 ( 1.841 -0.121 1.594) 2.438 2.079 ( -0.111 -2.780 2.201) 3.548 2.145 ( 3.061 -1.011 -4.209) 5.302 2.218 ( 1.844 0.033 1.009) 2.102 2.281 ( 2.889 2.573 1.117) 4.027 2.482 ( 2.250 0.693 0.146) 2.358 2.539 ( -1.411 -3.770 1.149) 4.187 2.659 ( 1.274 1.618 1.925) 2.819 2.676 ( -5.116 -0.275 2.173) 5.565 2.756 ( -0.469 2.059 4.737) 5.186 2.828 ( -2.005 0.050 0.505) 2.069 2.906 ( -0.908 0.925 3.088) 3.349 2.991 ( -3.884 0.754 2.072) 4.466 3.145 ( -1.166 2.445 -0.833) 2.834 3.204 ( 2.988 -3.127 1.195) 4.487 3.242 ( 0.642 -0.202 0.304) 0.738 3.391 ( -2.019 -2.975 -2.068) 4.147 3.503 ( 1.182 -1.008 -4.061) 4.348 3.619 ( 1.638 1.068 1.370) 2.388 3.736 ( -1.838 -0.950 -1.369) 2.481 3.828 ( -0.665 -0.155 -0.199) 0.711 3.913 ( -1.912 1.677 -1.673) 3.044 3.932 ( -0.820 -0.109 1.366) 1.597 3.997 ( -3.636 -0.148 -1.192) 3.829 4.117 ( 1.343 -0.803 0.135) 1.571 4.213 ( 0.096 -0.438 -0.852) 0.963 4.277 ( 1.195 1.553 -1.376) 2.395 4.324 ( 2.478 -2.754 -2.141) 4.279 4.462 ( 0.996 -2.797 -1.390) 3.278 4.554 ( -2.235 -2.551 2.150) 4.016 4.669 ( -3.009 -1.045 -1.889) 3.703 4.729 ( 3.307 4.570 -1.830) 5.930 4.824 ( 4.616 3.589 -3.038) 6.589 5.680 ( 0.076 0.672 1.129) 1.316 5.746 ( 0.904 -0.391 0.240) 1.014 6.764 ( -0.717 0.357 0.624) 1.016 6.787 ( -0.898 -0.137 -0.117) 0.916 6.841 ( 1.097 0.037 -0.776) 1.344 6.947 ( -0.084 0.099 -0.515) 0.531 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.000 0.000 0.000) 0.000 1.580 ( -0.000 0.000 0.000) 0.000 1.938 ( -0.000 -0.000 0.000) 0.000 2.037 ( -0.000 0.000 0.000) 0.000 2.057 ( -0.000 0.000 0.000) 0.000 2.119 ( -0.000 0.000 0.000) 0.000 2.218 ( -0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.538 ( -0.000 -0.000 0.000) 0.000 2.649 ( -0.000 -0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.835 ( -0.000 -0.000 0.000) 0.000 2.840 ( -0.000 0.000 0.000) 0.000 2.950 ( -0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.094 ( -0.000 -0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.282 ( -0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.453 ( -0.000 -0.000 0.000) 0.000 3.632 ( -0.000 -0.000 0.000) 0.000 3.723 ( -0.000 0.000 0.000) 0.000 3.835 ( -0.000 0.000 0.000) 0.000 3.894 ( -0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.998 ( -0.000 0.000 0.000) 0.000 4.114 ( -0.000 0.000 0.000) 0.000 4.196 ( -0.000 0.000 0.000) 0.000 4.275 ( -0.000 -0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.625 ( -0.000 -0.000 0.000) 0.000 4.733 ( -0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 5.692 ( -0.000 0.000 0.000) 0.000 5.743 ( -0.000 0.000 0.000) 0.000 6.771 ( -0.000 0.000 0.000) 0.000 6.793 ( -0.000 0.000 0.000) 0.000 6.827 ( -0.000 -0.000 0.000) 0.000 6.943 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 0.000 18.213) 18.213 0.701 ( 0.000 0.000 19.387) 19.387 1.315 ( 0.000 0.000 36.104) 36.104 1.858 ( 0.000 0.000 11.130) 11.130 1.954 ( 0.000 0.000 5.584) 5.584 1.969 ( -0.000 -0.000 -0.530) 0.530 2.417 ( -0.000 -0.000 -2.239) 2.239 2.422 ( 0.000 0.000 0.802) 0.802 2.423 ( -0.000 -0.000 -2.580) 2.580 2.428 ( 0.000 0.000 6.227) 6.227 2.574 ( 0.000 0.000 0.534) 0.534 2.590 ( -0.000 -0.000 -0.867) 0.867 2.784 ( -0.000 -0.000 -4.047) 4.047 2.839 ( -0.000 -0.000 -2.927) 2.927 2.844 ( -0.000 -0.000 -1.215) 1.215 2.983 ( -0.000 -0.000 -3.566) 3.566 3.046 ( 0.000 0.000 3.130) 3.130 3.184 ( 0.000 0.000 2.394) 2.394 3.406 ( -0.000 -0.000 -1.045) 1.045 3.409 ( 0.000 0.000 2.955) 2.955 3.627 ( -0.000 -0.000 -0.740) 0.740 3.664 ( 0.000 0.000 0.501) 0.501 3.758 ( -0.000 -0.000 -4.180) 4.180 3.802 ( -0.000 -0.000 -0.856) 0.856 3.832 ( 0.000 0.000 1.922) 1.922 3.913 ( 0.000 0.000 0.677) 0.677 3.930 ( -0.000 -0.000 -6.039) 6.039 4.170 ( -0.000 -0.000 -0.662) 0.662 4.253 ( -0.000 -0.000 -1.312) 1.312 4.367 ( 0.000 0.000 4.094) 4.094 4.410 ( -0.000 -0.000 -2.731) 2.731 4.511 ( -0.000 -0.000 -1.909) 1.909 4.561 ( -0.000 -0.000 -0.850) 0.850 4.690 ( 0.000 0.000 1.892) 1.892 4.858 ( -0.000 -0.000 -2.461) 2.461 5.055 ( -0.000 -0.000 -9.091) 9.091 5.616 ( 0.000 0.000 1.761) 1.761 5.770 ( 0.000 0.000 0.544) 0.544 6.695 ( 0.000 0.000 1.241) 1.241 6.789 ( -0.000 -0.000 -0.664) 0.664 6.900 ( -0.000 -0.000 -0.953) 0.953 6.948 ( -0.000 -0.000 -0.156) 0.156 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -4.464 2.963 15.759) 16.644 1.028 ( -3.449 3.255 16.225) 16.904 1.860 ( 3.739 1.220 23.891) 24.212 1.973 ( -3.401 -5.277 7.065) 9.451 2.036 ( 0.629 1.305 4.704) 4.922 2.054 ( -1.937 3.575 6.334) 7.527 2.320 ( 5.285 -2.732 -3.348) 6.827 2.354 ( 5.224 2.572 -3.721) 6.910 2.445 ( -7.335 -0.010 -2.681) 7.810 2.556 ( 2.323 -0.084 4.159) 4.764 2.587 ( -2.215 -0.069 3.860) 4.451 2.603 ( -0.550 -2.712 2.806) 3.941 2.718 ( -0.380 1.317 -2.529) 2.877 2.783 ( 2.160 -1.019 -1.488) 2.814 2.857 ( -2.702 0.877 0.100) 2.842 2.914 ( 0.133 1.419 -3.645) 3.914 3.100 ( -0.088 -1.454 3.501) 3.791 3.231 ( 2.142 -0.569 3.720) 4.330 3.360 ( -0.790 -1.731 -3.757) 4.211 3.434 ( 0.328 -0.693 -0.546) 0.941 3.600 ( 1.786 -1.024 -1.001) 2.289 3.671 ( 2.124 0.549 -4.334) 4.857 3.701 ( -3.896 -2.312 1.814) 4.880 3.788 ( -1.286 2.503 -2.427) 3.716 3.865 ( -0.633 0.489 -1.307) 1.532 3.873 ( -2.164 0.453 1.380) 2.606 3.923 ( -2.115 0.501 -0.291) 2.193 4.158 ( 0.398 0.675 -0.741) 1.079 4.235 ( 1.270 -0.974 -0.015) 1.600 4.354 ( 1.318 -0.624 -2.923) 3.267 4.440 ( -0.755 -0.480 2.820) 2.958 4.467 ( 1.148 0.824 -1.877) 2.350 4.551 ( -1.962 0.202 -1.135) 2.276 4.697 ( 0.343 -6.554 0.596) 6.590 4.802 ( 1.177 0.928 -3.899) 4.177 4.896 ( 2.542 6.082 -9.348) 11.438 5.648 ( 0.186 0.300 1.842) 1.875 5.771 ( 0.717 -0.253 0.067) 0.763 6.722 ( -0.350 0.521 1.481) 1.608 6.779 ( -0.429 -0.092 -0.624) 0.763 6.878 ( 0.901 0.172 -1.159) 1.478 6.948 ( -0.699 -0.196 -0.285) 0.780 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.235 3.094 11.581) 12.714 1.317 ( -5.039 3.964 12.001) 13.606 1.971 ( 2.284 -2.972 3.710) 5.274 2.050 ( -2.413 -1.529 -2.370) 3.712 2.116 ( 2.386 -0.080 2.714) 3.615 2.190 ( 3.155 0.209 -2.211) 3.858 2.243 ( 4.720 1.333 1.255) 5.063 2.310 ( 3.898 3.090 1.489) 5.192 2.491 ( -9.274 0.037 1.895) 9.465 2.548 ( 2.413 0.826 1.681) 3.055 2.602 ( -1.673 -5.323 -0.046) 5.580 2.674 ( -0.885 -1.175 1.256) 1.934 2.756 ( 2.088 1.290 4.121) 4.797 2.799 ( -1.207 0.284 5.058) 5.208 2.875 ( -0.719 0.979 1.677) 2.070 2.925 ( -2.910 3.453 1.608) 4.793 3.147 ( 0.972 -1.587 2.917) 3.460 3.234 ( 3.296 1.524 -2.041) 4.166 3.308 ( -0.236 -5.168 0.792) 5.234 3.395 ( -1.443 -2.505 -2.401) 3.758 3.537 ( 1.335 -2.214 -3.715) 4.526 3.624 ( 2.758 4.237 -0.659) 5.099 3.711 ( -2.646 -1.296 -1.920) 3.517 3.798 ( -2.866 3.117 -0.358) 4.250 3.871 ( -0.865 -2.103 0.858) 2.430 3.916 ( -2.529 0.184 1.919) 3.180 3.948 ( -1.800 2.088 0.565) 2.814 4.145 ( 0.706 -0.121 -0.694) 0.998 4.227 ( 0.949 -1.759 0.930) 2.204 4.288 ( 1.134 -0.610 -3.012) 3.276 4.394 ( 4.438 -0.371 -2.253) 4.991 4.503 ( -0.931 -1.526 0.908) 2.005 4.549 ( -1.967 -1.316 -0.421) 2.404 4.635 ( -3.403 -5.354 -2.847) 6.953 4.728 ( 2.679 3.418 -4.308) 6.117 4.811 ( 2.170 7.108 -3.733) 8.317 5.676 ( 0.192 0.370 1.321) 1.385 5.762 ( 0.721 -0.376 -0.301) 0.867 6.752 ( -0.312 0.450 1.284) 1.396 6.776 ( -0.764 -0.087 -0.073) 0.772 6.853 ( 0.970 0.387 -1.275) 1.648 6.946 ( -0.378 -0.356 -0.165) 0.545 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.330 1.121 5.236) 5.517 1.530 ( -4.192 2.565 6.574) 8.208 1.927 ( -3.171 -1.414 -7.646) 8.397 2.024 ( -0.885 0.056 -1.170) 1.468 2.079 ( 4.015 -0.738 -1.442) 4.330 2.125 ( 2.082 0.277 -2.112) 2.979 2.238 ( 2.263 1.423 -0.528) 2.725 2.307 ( 3.907 2.538 0.324) 4.670 2.513 ( 1.400 -2.022 0.964) 2.642 2.567 ( -0.776 -5.448 -0.553) 5.531 2.622 ( -3.676 1.021 1.323) 4.038 2.689 ( -2.120 0.248 0.623) 2.223 2.815 ( 2.334 2.739 1.351) 3.844 2.862 ( -0.267 -1.248 1.182) 1.740 2.919 ( -1.450 1.324 -0.405) 2.005 3.012 ( -2.731 3.530 2.933) 5.341 3.130 ( 4.009 -2.154 0.300) 4.561 3.241 ( -0.551 -0.303 2.373) 2.455 3.286 ( 2.088 -2.533 0.400) 3.307 3.372 ( -1.418 -2.268 -0.450) 2.712 3.470 ( 1.329 -1.301 -1.095) 2.158 3.632 ( 2.247 2.763 0.432) 3.587 3.699 ( -2.423 0.724 -0.704) 2.625 3.827 ( -2.468 2.412 0.426) 3.477 3.867 ( -0.249 -2.568 -0.467) 2.622 3.951 ( -2.666 -0.939 0.301) 2.843 3.997 ( 1.807 2.372 3.543) 4.631 4.125 ( 0.491 -0.800 -0.786) 1.224 4.215 ( 0.875 -1.478 -0.457) 1.777 4.261 ( 0.408 1.308 0.254) 1.394 4.324 ( 3.337 -1.942 -1.932) 4.318 4.455 ( 1.186 -1.614 -2.084) 2.890 4.578 ( -2.903 0.090 0.411) 2.933 4.603 ( -3.751 -0.976 -2.608) 4.672 4.699 ( -0.941 2.876 0.229) 3.035 4.789 ( 1.670 2.805 -1.088) 3.441 5.691 ( 0.104 0.143 0.409) 0.445 5.748 ( 0.296 -0.377 -0.683) 0.834 6.769 ( 0.059 0.191 0.653) 0.683 6.789 ( -0.654 0.006 0.802) 1.035 6.828 ( 0.746 0.630 -1.123) 1.488 6.945 ( -0.278 -0.604 0.207) 0.696 ======================= Grid point 16 (11/171) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 3.198 -2.626 -3.164) 5.209 1.578 ( 2.647 -4.017 -2.454) 5.400 1.818 ( -5.816 3.166 -7.869) 10.284 2.012 ( -2.880 2.099 -2.115) 4.144 2.051 ( 0.214 1.817 -1.881) 2.624 2.084 ( 1.602 2.760 -1.267) 3.433 2.210 ( -0.121 -0.293 -1.844) 1.871 2.310 ( 1.796 -1.258 1.193) 2.497 2.485 ( 0.005 -1.122 -2.325) 2.581 2.544 ( 0.723 -2.388 -0.633) 2.574 2.642 ( -3.137 -1.992 -0.475) 3.746 2.713 ( 0.392 0.295 -2.792) 2.835 2.772 ( 3.203 3.414 -2.251) 5.194 2.858 ( 0.091 -1.054 0.042) 1.058 2.900 ( -0.463 0.257 -2.215) 2.278 3.071 ( 3.179 -0.134 0.199) 3.189 3.114 ( -0.106 1.485 1.785) 2.324 3.216 ( -0.863 -5.014 -1.324) 5.257 3.283 ( 4.526 -2.126 -1.120) 5.124 3.375 ( 0.443 2.669 2.254) 3.521 3.486 ( -0.241 0.038 3.432) 3.441 3.618 ( 0.936 0.098 -1.635) 1.887 3.725 ( -0.399 2.569 0.537) 2.655 3.846 ( -0.376 -1.806 0.551) 1.925 3.878 ( -1.658 2.569 0.789) 3.158 3.970 ( 0.272 -1.508 1.758) 2.332 4.040 ( 3.925 1.644 1.973) 4.691 4.112 ( -0.097 -0.923 0.365) 0.997 4.213 ( 1.222 0.658 1.270) 1.881 4.269 ( -0.331 1.160 0.118) 1.212 4.293 ( -1.036 -1.776 0.876) 2.235 4.438 ( 0.590 1.399 0.572) 1.623 4.539 ( 0.143 3.557 -3.713) 5.143 4.655 ( -4.669 -1.909 3.127) 5.935 4.737 ( -1.827 -0.430 0.740) 2.017 4.788 ( -2.450 -0.545 0.769) 2.625 5.687 ( 0.092 -0.548 -0.718) 0.908 5.733 ( -0.556 -0.016 -0.997) 1.142 6.778 ( 0.876 -0.115 0.254) 0.919 6.795 ( 0.634 0.169 0.221) 0.693 6.824 ( -0.753 0.625 0.263) 1.013 6.951 ( -0.324 -0.759 0.651) 1.051 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 7.126 -5.720 -8.668) 12.595 1.391 ( 7.682 -8.537 -9.556) 14.940 1.767 ( -2.769 5.634 -5.762) 8.521 1.961 ( 1.196 3.495 -8.165) 8.962 2.000 ( -1.464 -1.248 -3.901) 4.350 2.111 ( -3.289 2.308 -2.844) 4.923 2.189 ( -2.936 1.209 -1.050) 3.345 2.287 ( -1.081 -5.091 -0.822) 5.269 2.423 ( -2.887 0.474 -6.003) 6.678 2.486 ( 0.087 0.347 -4.291) 4.305 2.590 ( 3.439 0.903 -1.974) 4.066 2.688 ( -1.055 0.167 0.788) 1.328 2.753 ( 1.607 -3.510 -0.160) 3.863 2.852 ( 2.858 1.428 0.675) 3.266 2.875 ( 1.238 -0.730 -0.499) 1.522 3.018 ( 5.132 -0.792 0.193) 5.197 3.125 ( -1.165 0.712 -3.688) 3.933 3.193 ( 3.697 -3.560 0.610) 5.169 3.260 ( -1.444 2.434 2.987) 4.114 3.425 ( 1.490 2.268 1.942) 3.337 3.545 ( -0.951 -0.063 0.330) 1.008 3.597 ( 0.265 1.950 1.558) 2.511 3.734 ( 0.888 2.521 -0.736) 2.772 3.861 ( -0.717 -0.329 -0.086) 0.793 3.895 ( 1.031 0.430 1.130) 1.589 3.976 ( 3.159 -0.129 0.812) 3.264 4.043 ( 2.606 0.430 1.490) 3.033 4.127 ( 0.616 -0.768 2.034) 2.260 4.240 ( 0.386 -1.238 1.768) 2.193 4.296 ( -2.631 0.330 1.585) 3.090 4.330 ( -0.804 2.336 1.917) 3.127 4.469 ( -0.258 1.920 1.414) 2.398 4.518 ( 0.090 3.023 -0.430) 3.055 4.705 ( 2.315 0.161 0.668) 2.415 4.753 ( -5.531 -3.455 1.740) 6.749 4.846 ( -7.918 -2.320 2.060) 8.504 5.661 ( -0.053 -1.226 -1.649) 2.056 5.724 ( -1.472 0.445 -1.121) 1.903 6.761 ( 1.176 -0.579 -0.669) 1.472 6.806 ( 1.228 0.155 1.307) 1.800 6.840 ( -1.115 0.478 0.350) 1.263 6.962 ( -0.189 -0.533 0.925) 1.084 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 10.702 -8.261 -10.447) 17.085 1.086 ( 10.349 -10.400 -12.749) 19.437 1.655 ( 9.676 -7.664 -14.460) 19.012 1.744 ( 1.678 3.521 -10.548) 11.246 1.890 ( 2.533 5.184 -6.477) 8.674 2.077 ( -5.053 -2.860 -2.648) 6.382 2.197 ( -4.371 -1.893 -1.286) 4.934 2.278 ( -7.632 -0.079 -2.421) 8.007 2.385 ( -5.002 3.706 -2.274) 6.627 2.473 ( -1.845 1.981 0.338) 2.729 2.564 ( 2.367 0.441 0.059) 2.408 2.672 ( 4.129 -1.431 -0.955) 4.473 2.745 ( -2.070 -0.445 0.585) 2.196 2.846 ( 3.590 0.921 0.136) 3.709 2.871 ( 1.828 -0.884 2.044) 2.881 3.013 ( 4.244 0.864 2.219) 4.867 3.084 ( -0.195 1.003 -1.340) 1.686 3.163 ( 1.338 -2.187 0.040) 2.564 3.340 ( -1.302 2.877 2.192) 3.844 3.431 ( 0.373 -0.238 -1.132) 1.215 3.534 ( 0.577 4.004 -1.127) 4.199 3.664 ( 0.182 2.775 2.460) 3.713 3.727 ( 1.041 1.655 -0.273) 1.974 3.838 ( 0.561 0.074 -1.050) 1.193 3.912 ( 3.231 -0.577 2.008) 3.848 3.978 ( 2.492 0.478 1.709) 3.059 4.068 ( 2.559 0.268 3.023) 3.970 4.159 ( 0.511 -0.616 2.490) 2.615 4.249 ( -0.655 -2.533 1.093) 2.835 4.343 ( -2.532 1.315 -0.098) 2.855 4.375 ( -0.433 1.843 2.002) 2.756 4.487 ( 0.753 1.851 0.150) 2.004 4.555 ( -0.569 0.288 2.136) 2.229 4.677 ( 2.144 -1.383 -0.647) 2.633 4.812 ( -4.208 -0.764 1.939) 4.696 4.923 ( -11.150 -3.211 0.766) 11.628 5.625 ( -0.387 -1.424 -1.742) 2.284 5.719 ( -2.016 0.630 -1.192) 2.425 6.739 ( 0.925 -1.304 -0.442) 1.659 6.817 ( 1.383 -0.299 1.039) 1.756 6.857 ( -1.033 0.502 0.414) 1.221 6.977 ( 0.390 0.267 1.005) 1.111 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 13.667 -11.244 -9.669) 20.167 0.717 ( 12.849 -11.660 -13.709) 22.113 1.153 ( 21.277 -19.928 -17.031) 33.762 1.638 ( 2.701 6.829 -6.487) 9.799 1.829 ( 1.045 6.797 -3.333) 7.642 2.059 ( -1.640 -5.589 0.438) 5.841 2.207 ( -8.211 0.865 -1.970) 8.488 2.307 ( -8.742 -1.418 -0.496) 8.871 2.395 ( -2.212 3.509 -2.205) 4.698 2.513 ( -2.035 -0.600 1.575) 2.642 2.569 ( -1.109 0.599 0.266) 1.288 2.614 ( 3.560 -2.312 -0.776) 4.315 2.782 ( -3.898 3.700 0.376) 5.387 2.838 ( 1.758 2.458 -0.134) 3.025 2.880 ( 1.716 -2.148 1.330) 3.054 3.022 ( 6.793 -0.659 2.160) 7.159 3.081 ( 2.918 3.135 0.464) 4.308 3.162 ( -2.662 -1.442 0.673) 3.101 3.371 ( 0.505 0.411 -0.099) 0.658 3.402 ( -1.393 -0.279 -1.660) 2.186 3.555 ( -0.071 7.331 0.080) 7.332 3.669 ( 2.203 1.548 -1.224) 2.958 3.747 ( 0.337 2.965 0.760) 3.079 3.848 ( 0.427 -0.913 2.394) 2.598 3.919 ( 3.828 -0.620 2.151) 4.434 3.990 ( 4.547 3.237 1.490) 5.777 4.105 ( 2.489 0.289 3.178) 4.047 4.190 ( 1.053 -1.101 2.357) 2.807 4.264 ( -1.628 -0.369 0.480) 1.737 4.335 ( -1.034 -1.049 -1.868) 2.378 4.420 ( -0.411 0.542 1.442) 1.594 4.491 ( 1.595 0.482 0.296) 1.692 4.578 ( -0.376 -1.520 0.785) 1.751 4.656 ( 0.714 -0.349 0.117) 0.803 4.859 ( -2.360 0.637 1.004) 2.642 4.967 ( -15.604 -6.255 -3.895) 17.256 5.596 ( -0.613 -1.346 -1.066) 1.823 5.719 ( -1.920 0.669 -0.854) 2.205 6.721 ( 0.065 -2.434 0.019) 2.435 6.819 ( 1.177 -0.565 0.531) 1.409 6.872 ( -0.901 0.411 0.233) 1.017 6.994 ( 1.431 1.670 1.152) 2.483 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 15.197 -14.206 0.000) 20.803 0.411 ( 17.719 -14.444 0.000) 22.860 0.681 ( 27.978 -25.432 0.000) 37.810 1.592 ( 2.253 5.200 -0.000) 5.667 1.832 ( 0.589 4.996 -0.000) 5.031 2.040 ( 0.290 -4.485 0.000) 4.495 2.255 ( -7.798 2.508 -0.000) 8.191 2.340 ( -5.696 -2.937 -0.000) 6.408 2.412 ( -2.387 2.979 -0.000) 3.817 2.510 ( 0.679 -5.366 0.000) 5.409 2.584 ( -1.532 0.952 -0.000) 1.803 2.598 ( -0.902 -0.168 -0.000) 0.917 2.835 ( 1.241 1.731 -0.000) 2.130 2.851 ( -6.605 5.044 -0.000) 8.311 2.870 ( 0.621 -1.977 0.000) 2.072 2.978 ( 8.182 -1.511 0.000) 8.321 3.085 ( 5.311 5.268 -0.000) 7.481 3.184 ( -3.675 -3.577 0.000) 5.129 3.355 ( 1.024 -0.030 0.000) 1.024 3.402 ( -1.692 -0.382 -0.000) 1.735 3.610 ( -0.103 5.430 -0.000) 5.431 3.650 ( -0.147 3.412 -0.000) 3.415 3.768 ( 1.464 4.498 -0.000) 4.730 3.860 ( 1.263 -1.618 0.000) 2.053 3.907 ( 3.148 -3.335 0.000) 4.587 4.024 ( 5.863 11.290 -0.000) 12.722 4.137 ( 2.045 2.871 -0.000) 3.525 4.219 ( 4.650 4.859 -0.000) 6.726 4.273 ( -1.873 0.454 -0.000) 1.927 4.302 ( 0.558 -3.268 0.000) 3.315 4.405 ( 2.112 -4.036 0.000) 4.555 4.488 ( 0.039 0.655 -0.000) 0.656 4.578 ( 0.392 -0.407 0.000) 0.565 4.662 ( 0.311 0.015 0.000) 0.312 4.884 ( -1.497 0.578 -0.000) 1.605 4.947 ( -22.443 -20.351 0.000) 30.296 5.584 ( -0.573 -1.045 0.000) 1.192 5.725 ( -1.230 0.550 -0.000) 1.347 6.712 ( -2.172 -4.163 0.000) 4.696 6.813 ( 0.885 -0.670 0.000) 1.110 6.880 ( -0.578 0.446 -0.000) 0.730 7.012 ( 2.603 3.959 -0.000) 4.738 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 0.000 13.136) 13.136 1.261 ( 0.000 0.000 13.287) 13.287 2.008 ( 0.000 0.000 2.054) 2.054 2.047 ( -0.000 -0.000 -5.261) 5.261 2.120 ( 0.000 0.000 3.791) 3.791 2.238 ( 0.000 0.000 8.749) 8.749 2.283 ( -0.000 -0.000 -2.383) 2.383 2.328 ( 0.000 0.000 1.805) 1.805 2.360 ( -0.000 -0.000 -2.654) 2.654 2.578 ( 0.000 0.000 2.429) 2.429 2.639 ( -0.000 -0.000 -1.953) 1.953 2.655 ( 0.000 0.000 1.390) 1.390 2.758 ( 0.000 0.000 8.251) 8.251 2.821 ( 0.000 0.000 5.108) 5.108 2.852 ( -0.000 -0.000 -1.637) 1.637 2.872 ( 0.000 0.000 2.437) 2.437 3.165 ( 0.000 0.000 3.480) 3.480 3.266 ( -0.000 -0.000 -5.871) 5.871 3.316 ( 0.000 0.000 4.310) 4.310 3.409 ( -0.000 -0.000 -3.032) 3.032 3.585 ( -0.000 -0.000 -4.968) 4.968 3.596 ( -0.000 -0.000 -0.296) 0.296 3.697 ( -0.000 -0.000 -4.502) 4.502 3.753 ( 0.000 0.000 2.991) 2.991 3.885 ( 0.000 0.000 1.050) 1.050 3.903 ( 0.000 0.000 4.102) 4.102 3.906 ( -0.000 -0.000 -0.303) 0.303 4.145 ( -0.000 -0.000 -0.684) 0.684 4.253 ( 0.000 0.000 0.895) 0.895 4.306 ( -0.000 -0.000 -3.374) 3.374 4.431 ( -0.000 -0.000 -2.365) 2.365 4.491 ( 0.000 0.000 2.762) 2.762 4.526 ( -0.000 -0.000 -0.410) 0.410 4.701 ( -0.000 -0.000 -10.704) 10.704 4.726 ( -0.000 -0.000 -4.890) 4.890 4.744 ( 0.000 0.000 1.255) 1.255 5.675 ( 0.000 0.000 1.362) 1.362 5.770 ( -0.000 -0.000 -0.518) 0.518 6.747 ( 0.000 0.000 1.624) 1.624 6.771 ( -0.000 -0.000 -0.186) 0.186 6.857 ( -0.000 -0.000 -1.457) 1.457 6.945 ( 0.000 0.000 0.042) 0.042 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -1.369 1.539 8.539) 8.784 1.458 ( -2.081 0.846 8.551) 8.842 1.902 ( -1.423 -0.459 -10.640) 10.744 2.023 ( -0.290 -0.535 -0.803) 1.008 2.147 ( 2.031 -1.170 -0.094) 2.346 2.168 ( 3.668 -0.545 -5.111) 6.314 2.254 ( 1.116 0.220 -1.232) 1.677 2.316 ( 3.238 2.490 -0.647) 4.136 2.455 ( -7.378 2.034 0.896) 7.705 2.603 ( 1.770 -2.180 1.199) 3.053 2.643 ( 1.203 -3.084 2.400) 4.089 2.667 ( -1.559 0.412 1.211) 2.016 2.812 ( -0.981 -0.650 -1.404) 1.832 2.866 ( 3.243 4.045 1.453) 5.384 2.907 ( -1.112 -2.141 2.050) 3.166 2.943 ( -1.958 2.125 3.864) 4.825 3.205 ( 2.573 -1.516 1.764) 3.468 3.226 ( -0.019 0.569 3.632) 3.676 3.338 ( -0.549 -2.575 -4.037) 4.819 3.370 ( -0.478 -0.508 1.680) 1.819 3.512 ( 1.430 -1.938 -1.616) 2.900 3.623 ( 1.650 3.416 2.484) 4.534 3.653 ( -2.391 0.865 -1.777) 3.102 3.780 ( -0.695 0.603 -0.056) 0.922 3.905 ( 0.167 -2.530 1.120) 2.772 3.916 ( -2.381 -0.239 1.735) 2.955 3.987 ( 0.715 2.120 4.718) 5.222 4.133 ( 0.134 0.124 -0.946) 0.963 4.246 ( 1.121 -0.903 -2.508) 2.892 4.265 ( 0.079 -1.102 1.075) 1.542 4.386 ( 3.222 0.658 -2.087) 3.895 4.498 ( 0.982 -2.123 -3.403) 4.130 4.524 ( -0.882 1.789 -3.319) 3.872 4.561 ( -5.318 -2.306 -1.852) 6.085 4.668 ( 0.594 1.945 -1.145) 2.334 4.768 ( 0.293 2.287 0.356) 2.333 5.692 ( 0.077 0.063 0.536) 0.545 5.756 ( 0.174 -0.213 -1.016) 1.052 6.770 ( 0.380 0.121 0.987) 1.064 6.778 ( -0.737 0.091 0.974) 1.225 6.832 ( 0.466 0.275 -1.373) 1.476 6.948 ( -0.189 -0.347 0.308) 0.501 ======================= Grid point 25 (18/171) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 1.507 -0.774 1.804) 2.475 1.579 ( -4.031 1.618 2.637) 5.081 1.738 ( -2.103 -0.633 -9.466) 9.718 1.967 ( -0.167 0.536 -4.997) 5.028 2.063 ( 2.432 1.319 -4.293) 5.107 2.111 ( 3.538 -0.179 -1.345) 3.789 2.223 ( -0.043 -2.688 -1.923) 3.305 2.319 ( 1.944 3.380 0.977) 4.020 2.477 ( -4.532 0.541 -4.364) 6.315 2.558 ( -1.761 -0.728 -6.377) 6.656 2.641 ( 0.087 -3.060 2.430) 3.908 2.713 ( 1.996 0.367 0.636) 2.127 2.778 ( 0.125 1.123 -0.179) 1.144 2.867 ( 4.188 2.283 -0.537) 4.800 2.912 ( -0.766 -2.832 -0.275) 2.946 3.009 ( -3.612 3.312 1.665) 5.175 3.201 ( 3.015 -4.390 -0.101) 5.326 3.252 ( 0.924 -2.679 -1.447) 3.182 3.325 ( -0.471 0.977 3.990) 4.135 3.382 ( 2.011 -0.096 0.429) 2.058 3.496 ( 1.147 -1.039 2.114) 2.620 3.643 ( 2.768 0.526 -0.212) 2.826 3.678 ( -1.294 2.861 0.897) 3.266 3.797 ( -3.532 1.593 -0.471) 3.903 3.900 ( 1.471 -2.936 1.535) 3.625 3.977 ( -1.336 -1.590 3.981) 4.490 4.060 ( 2.538 2.672 2.910) 4.695 4.117 ( 0.104 0.147 -0.222) 0.286 4.213 ( 0.562 0.834 -0.354) 1.066 4.283 ( 0.980 -0.792 1.445) 1.917 4.315 ( 1.455 -2.135 -2.430) 3.546 4.436 ( 0.689 0.797 -0.905) 1.389 4.476 ( -2.233 3.974 -4.472) 6.386 4.607 ( -5.858 -2.219 2.338) 6.686 4.693 ( -1.927 1.140 1.349) 2.614 4.778 ( 0.156 0.801 -0.032) 0.817 5.692 ( 0.058 -0.146 -0.367) 0.400 5.731 ( -0.111 -0.330 -1.634) 1.671 6.787 ( 0.509 0.135 1.270) 1.375 6.800 ( -0.188 -0.040 0.714) 0.740 6.811 ( 0.240 0.674 -0.728) 1.021 6.955 ( -0.364 -0.702 0.630) 1.011 ======================= Grid point 26 (19/171) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 4.435 -4.722 -5.566) 8.541 1.575 ( 4.746 -7.025 -6.046) 10.413 1.639 ( -4.738 6.303 -3.125) 8.482 1.895 ( -1.011 4.410 -6.373) 7.815 1.997 ( 0.492 0.911 -3.401) 3.556 2.078 ( 1.941 2.449 -0.708) 3.204 2.155 ( -2.652 -3.474 -4.296) 6.128 2.329 ( -4.538 -5.315 -8.338) 10.879 2.363 ( 1.049 6.157 -1.760) 6.489 2.500 ( -2.934 0.721 -5.146) 5.967 2.631 ( 5.021 -0.642 -3.594) 6.208 2.680 ( 0.893 -1.473 3.498) 3.899 2.808 ( 1.219 -2.283 1.034) 2.787 2.855 ( 1.999 2.049 0.639) 2.933 2.900 ( -1.237 -2.620 1.183) 3.130 3.064 ( 0.382 2.185 -1.466) 2.659 3.144 ( 1.779 -1.213 -0.731) 2.273 3.205 ( 0.318 -2.422 -0.630) 2.522 3.325 ( 5.239 -2.729 -0.085) 5.908 3.413 ( 1.225 2.485 2.749) 3.903 3.546 ( 0.298 -0.390 3.142) 3.180 3.604 ( 3.058 0.438 -0.866) 3.209 3.710 ( -0.584 1.905 0.374) 2.027 3.811 ( -3.211 2.330 -1.474) 4.232 3.919 ( 0.796 -1.526 2.640) 3.152 4.014 ( 1.551 -1.415 0.982) 2.317 4.066 ( 2.162 1.247 -0.006) 2.496 4.141 ( 0.694 1.013 1.841) 2.213 4.232 ( -0.632 2.488 1.434) 2.941 4.281 ( 1.153 -0.397 1.749) 2.132 4.316 ( -1.483 -1.942 1.583) 2.912 4.448 ( -0.738 2.638 0.035) 2.740 4.472 ( -0.360 2.877 1.367) 3.205 4.679 ( -6.019 -1.843 2.498) 6.773 4.732 ( -2.648 0.349 0.396) 2.700 4.779 ( -2.728 -1.084 -0.343) 2.956 5.674 ( 0.109 -0.913 -1.420) 1.691 5.704 ( -0.944 0.107 -1.795) 2.031 6.782 ( 1.185 -0.256 -0.522) 1.320 6.813 ( 0.081 0.488 0.813) 0.952 6.826 ( -0.031 0.349 1.441) 1.483 6.965 ( -0.479 -0.794 0.746) 1.190 ======================= Grid point 27 (20/171) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 7.906 -7.166 -7.231) 12.890 1.344 ( 10.323 -9.947 -9.100) 16.980 1.641 ( -0.152 7.201 -3.509) 8.012 1.790 ( 1.912 5.579 -8.681) 10.495 1.943 ( 0.391 -2.708 -3.905) 4.767 2.030 ( -2.268 -3.171 -4.657) 6.073 2.136 ( -4.080 3.098 -1.258) 5.275 2.190 ( -7.454 -2.240 -7.003) 10.470 2.341 ( 0.744 -3.975 -5.610) 6.915 2.433 ( -0.531 3.071 0.595) 3.173 2.586 ( 1.751 0.942 -0.623) 2.084 2.715 ( 2.368 -0.008 2.014) 3.108 2.762 ( 0.754 -4.031 -2.098) 4.606 2.879 ( 2.933 1.972 2.038) 4.079 2.920 ( 2.038 -1.709 2.384) 3.572 3.036 ( -1.009 0.483 -0.133) 1.127 3.078 ( 4.227 -0.275 -2.648) 4.996 3.228 ( -0.172 -0.088 -0.345) 0.396 3.297 ( 3.053 1.102 2.060) 3.844 3.434 ( 1.408 2.428 -1.114) 3.020 3.535 ( 1.630 -1.867 -0.490) 2.527 3.638 ( 0.284 2.095 2.989) 3.661 3.720 ( -0.147 0.506 -0.118) 0.540 3.825 ( -0.978 2.103 0.131) 2.323 3.940 ( -0.020 -0.134 0.312) 0.340 4.002 ( 3.865 2.027 0.931) 4.463 4.077 ( -0.446 -0.651 1.384) 1.593 4.177 ( 1.019 0.836 2.731) 3.032 4.268 ( 0.005 1.658 0.293) 1.684 4.306 ( -0.720 -1.665 2.130) 2.798 4.350 ( -1.255 0.266 1.448) 1.935 4.471 ( 0.169 2.203 1.295) 2.561 4.541 ( -0.415 1.084 3.887) 4.057 4.719 ( 1.087 -0.935 -0.877) 1.681 4.753 ( -5.725 -1.288 1.480) 6.052 4.806 ( -8.862 -1.288 -0.923) 9.003 5.638 ( -0.164 -1.448 -1.845) 2.351 5.687 ( -1.694 0.519 -1.517) 2.333 6.765 ( 1.173 -0.718 -0.260) 1.399 6.822 ( -0.503 0.447 -0.089) 0.679 6.855 ( 1.087 -0.033 2.158) 2.416 6.976 ( -0.399 -0.253 0.523) 0.705 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 11.424 -10.210 -7.519) 17.067 1.043 ( 14.502 -11.724 -7.786) 20.208 1.571 ( 7.083 0.819 -6.928) 9.942 1.658 ( 11.458 -3.167 -3.123) 12.291 1.788 ( 5.761 1.494 -5.471) 8.084 2.007 ( -10.056 -2.504 -1.537) 10.477 2.134 ( -8.593 -3.027 -2.980) 9.585 2.179 ( -6.402 2.343 -1.359) 6.951 2.294 ( -6.011 2.263 -1.688) 6.641 2.484 ( -0.807 1.471 2.412) 2.938 2.564 ( 0.808 0.510 -1.415) 1.708 2.692 ( 2.868 -3.427 -1.128) 4.609 2.727 ( 0.550 0.996 -0.308) 1.179 2.878 ( 6.519 2.053 0.806) 6.882 2.945 ( 2.933 -2.444 2.331) 4.473 3.045 ( 0.630 2.624 1.158) 2.937 3.075 ( -2.489 1.203 1.519) 3.154 3.184 ( 4.184 -1.398 -1.366) 4.618 3.327 ( -0.172 5.240 -0.864) 5.313 3.406 ( 0.350 0.491 -1.324) 1.455 3.514 ( 0.700 -0.892 -0.243) 1.160 3.677 ( 1.665 2.569 0.493) 3.101 3.723 ( -1.036 -0.086 0.185) 1.056 3.861 ( 1.209 0.840 2.874) 3.229 3.944 ( -0.306 1.666 0.114) 1.698 4.008 ( 4.621 3.536 0.629) 5.853 4.103 ( -1.934 -0.673 1.123) 2.335 4.221 ( 1.891 1.348 2.550) 3.449 4.262 ( 1.548 -1.179 -0.274) 1.965 4.330 ( -1.469 -1.362 0.455) 2.054 4.385 ( -2.396 1.559 0.867) 2.987 4.514 ( 1.461 0.824 3.079) 3.506 4.599 ( -0.226 -1.696 2.580) 3.096 4.677 ( 0.351 -2.131 -1.696) 2.746 4.806 ( -4.240 0.867 0.495) 4.356 4.833 ( -10.995 -2.580 -2.744) 11.622 5.605 ( -0.524 -1.610 -1.160) 2.052 5.682 ( -2.101 0.766 -0.902) 2.411 6.749 ( 0.834 -1.527 -0.033) 1.740 6.825 ( -0.384 0.638 -0.198) 0.771 6.876 ( 1.222 -0.885 1.436) 2.083 6.986 ( -0.043 1.081 0.322) 1.129 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 14.621 -12.983 0.000) 19.553 0.800 ( 16.417 -13.162 0.000) 21.042 1.308 ( 23.187 -21.487 0.000) 31.612 1.574 ( 6.770 6.808 -0.000) 9.601 1.765 ( 1.169 7.811 -0.000) 7.898 2.058 ( -9.562 -3.451 -0.000) 10.166 2.135 ( -5.274 -1.528 -0.000) 5.491 2.241 ( -10.467 0.735 -0.000) 10.493 2.333 ( -4.309 3.121 -0.000) 5.320 2.528 ( -2.264 -1.330 0.000) 2.625 2.548 ( -1.135 1.631 -0.000) 1.987 2.641 ( 2.696 -3.447 0.000) 4.376 2.737 ( -0.840 3.667 -0.000) 3.762 2.855 ( 5.542 2.428 0.000) 6.051 2.925 ( 3.239 -2.601 0.000) 4.154 3.075 ( 0.493 0.932 -0.000) 1.055 3.110 ( 5.655 -0.294 0.000) 5.662 3.142 ( -2.282 1.957 -0.000) 3.007 3.345 ( -0.692 5.531 -0.000) 5.574 3.394 ( 0.213 -1.891 0.000) 1.903 3.514 ( -0.970 2.804 -0.000) 2.967 3.673 ( 2.972 1.483 0.000) 3.321 3.738 ( -0.660 1.838 -0.000) 1.953 3.884 ( 0.796 -0.762 0.000) 1.102 3.962 ( 0.090 -0.137 0.000) 0.164 4.000 ( 6.433 7.485 -0.000) 9.869 4.126 ( -1.501 -0.276 -0.000) 1.526 4.231 ( 4.522 3.555 -0.000) 5.752 4.251 ( -1.793 -2.266 0.000) 2.889 4.329 ( -0.983 -2.186 0.000) 2.397 4.421 ( -2.246 1.366 -0.000) 2.629 4.528 ( 3.325 -1.911 0.000) 3.835 4.603 ( 0.196 -3.391 0.000) 3.397 4.660 ( -0.665 -0.061 -0.000) 0.668 4.837 ( -7.361 -1.511 -0.000) 7.514 4.855 ( -9.155 -3.606 -0.000) 9.840 5.591 ( -0.710 -1.597 0.000) 1.748 5.694 ( -2.042 0.865 -0.000) 2.218 6.735 ( 0.190 -2.244 0.000) 2.252 6.828 ( 0.188 0.327 -0.000) 0.377 6.877 ( 0.536 -0.824 0.000) 0.983 6.998 ( 0.508 2.184 -0.000) 2.242 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 0.000 4.528) 4.528 1.537 ( 0.000 0.000 0.382) 0.382 1.732 ( -0.000 -0.000 -7.019) 7.019 1.972 ( -0.000 -0.000 -4.692) 4.692 2.071 ( -0.000 -0.000 -6.668) 6.668 2.149 ( -0.000 -0.000 -1.525) 1.525 2.244 ( 0.000 0.000 0.134) 0.134 2.331 ( 0.000 0.000 1.277) 1.277 2.389 ( -0.000 -0.000 -5.223) 5.223 2.553 ( -0.000 -0.000 -10.288) 10.288 2.668 ( 0.000 0.000 0.883) 0.883 2.742 ( -0.000 -0.000 -0.198) 0.198 2.755 ( 0.000 0.000 5.862) 5.862 2.922 ( 0.000 0.000 3.787) 3.787 2.925 ( -0.000 -0.000 -0.504) 0.504 2.926 ( -0.000 -0.000 -3.177) 3.177 3.250 ( -0.000 -0.000 -5.870) 5.870 3.278 ( 0.000 0.000 4.504) 4.504 3.324 ( 0.000 0.000 6.331) 6.331 3.380 ( -0.000 -0.000 -0.766) 0.766 3.523 ( 0.000 0.000 1.444) 1.444 3.638 ( 0.000 0.000 1.273) 1.273 3.671 ( 0.000 0.000 2.024) 2.024 3.757 ( -0.000 -0.000 -1.798) 1.798 3.937 ( 0.000 0.000 1.564) 1.564 3.974 ( 0.000 0.000 5.774) 5.774 4.058 ( 0.000 0.000 3.348) 3.348 4.115 ( -0.000 -0.000 -1.048) 1.048 4.217 ( -0.000 -0.000 -1.231) 1.231 4.297 ( 0.000 0.000 2.065) 2.065 4.341 ( -0.000 -0.000 -3.989) 3.989 4.415 ( -0.000 -0.000 -5.813) 5.813 4.455 ( -0.000 -0.000 -1.275) 1.275 4.566 ( 0.000 0.000 2.164) 2.164 4.676 ( 0.000 0.000 1.385) 1.385 4.773 ( 0.000 0.000 0.354) 0.354 5.693 ( -0.000 -0.000 -0.323) 0.323 5.733 ( -0.000 -0.000 -1.799) 1.799 6.791 ( 0.000 0.000 1.560) 1.560 6.793 ( 0.000 0.000 0.995) 0.995 6.812 ( -0.000 -0.000 -1.083) 1.083 6.956 ( 0.000 0.000 0.615) 0.615 ======================= Grid point 35 (24/171) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -1.241 -0.751 -7.041) 7.188 1.522 ( -0.261 2.394 -0.749) 2.522 1.683 ( 1.025 -2.649 -0.265) 2.853 1.887 ( 1.616 -0.550 -4.261) 4.591 1.977 ( 0.302 2.432 -4.837) 5.422 2.097 ( 1.374 -0.267 -3.599) 3.862 2.204 ( 1.033 -6.605 -5.765) 8.828 2.291 ( 1.654 7.011 -6.513) 9.712 2.323 ( -3.778 -3.103 -7.330) 8.811 2.391 ( -5.021 4.734 -3.323) 7.659 2.680 ( 1.337 0.162 0.590) 1.470 2.765 ( 3.663 -3.383 3.369) 6.018 2.832 ( -0.232 -1.060 2.263) 2.510 2.868 ( 2.401 0.574 -0.573) 2.534 2.911 ( -0.745 -1.192 0.253) 1.429 3.001 ( -2.765 3.218 2.163) 4.763 3.153 ( -0.218 -0.984 -4.510) 4.621 3.305 ( 4.478 -3.738 -1.338) 5.984 3.360 ( -1.970 -1.050 1.588) 2.740 3.419 ( 1.995 2.693 2.947) 4.463 3.558 ( 0.939 -0.513 3.322) 3.490 3.659 ( 4.311 0.310 -0.728) 4.383 3.681 ( -1.176 0.629 2.162) 2.540 3.743 ( -3.609 0.840 -1.700) 4.076 3.957 ( 0.902 -2.625 2.029) 3.438 4.051 ( 0.366 -2.395 1.575) 2.890 4.066 ( 1.443 2.934 -1.890) 3.776 4.117 ( -1.012 2.174 0.736) 2.508 4.209 ( 0.337 0.785 0.145) 0.867 4.302 ( 1.464 0.484 0.945) 1.808 4.327 ( -1.276 -3.163 1.898) 3.903 4.378 ( -1.781 3.741 0.027) 4.144 4.469 ( 1.095 0.429 2.844) 3.077 4.615 ( -4.120 -0.536 1.935) 4.583 4.696 ( -1.347 -0.083 0.420) 1.413 4.774 ( -0.062 -0.018 -0.381) 0.387 5.681 ( -0.027 -0.161 -1.105) 1.117 5.697 ( -0.213 -0.183 -2.420) 2.437 6.796 ( 0.491 0.045 -0.635) 0.804 6.806 ( -0.167 0.119 0.428) 0.474 6.826 ( 0.172 0.160 2.390) 2.402 6.967 ( -0.227 -0.377 0.671) 0.803 ======================= Grid point 36 (25/171) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 2.132 -3.017 -5.154) 6.341 1.498 ( 1.175 3.618 -3.760) 5.349 1.619 ( 4.736 -5.747 -2.602) 7.888 1.776 ( 5.182 2.004 -6.607) 8.633 1.935 ( -2.548 0.863 -2.536) 3.697 2.008 ( -3.955 -0.406 -7.605) 8.582 2.096 ( 0.927 -0.606 -3.374) 3.551 2.105 ( -5.553 -0.271 -8.535) 10.185 2.350 ( -2.794 3.170 -1.198) 4.392 2.397 ( -2.159 1.834 -1.329) 3.129 2.647 ( 5.214 -2.665 -0.595) 5.886 2.770 ( 4.584 -2.101 2.246) 5.521 2.815 ( 0.242 -3.094 -0.645) 3.169 2.884 ( 1.317 1.494 2.177) 2.951 2.949 ( -1.453 -2.928 3.079) 4.491 3.032 ( 0.570 1.495 -0.534) 1.687 3.119 ( -0.211 1.847 -1.708) 2.524 3.205 ( 3.411 -0.772 -3.013) 4.617 3.373 ( 2.042 -2.182 0.288) 3.002 3.427 ( 2.103 2.357 -1.629) 3.554 3.596 ( 2.054 -1.993 1.348) 3.164 3.632 ( 2.130 0.303 1.930) 2.890 3.712 ( -1.581 -1.098 0.401) 1.966 3.771 ( -1.907 2.992 1.697) 3.933 3.943 ( 0.247 -1.034 -2.060) 2.318 4.025 ( 2.926 2.870 -0.227) 4.105 4.069 ( -1.977 -1.138 0.350) 2.308 4.163 ( -1.514 3.219 1.661) 3.926 4.220 ( -0.574 0.890 0.529) 1.184 4.336 ( 1.802 0.997 2.275) 3.069 4.353 ( -0.564 -3.318 2.488) 4.185 4.433 ( -1.285 2.983 2.150) 3.896 4.532 ( 0.869 0.707 4.601) 4.736 4.675 ( -6.028 -0.883 1.312) 6.231 4.710 ( -3.072 0.224 -0.459) 3.114 4.759 ( -0.544 -0.973 -1.273) 1.692 5.651 ( -0.040 -0.888 -2.034) 2.220 5.664 ( -0.922 0.259 -1.802) 2.040 6.784 ( 0.828 -0.156 -0.184) 0.862 6.811 ( -0.374 0.176 -0.162) 0.444 6.868 ( 0.679 0.145 2.758) 2.844 6.975 ( -0.335 -0.474 0.263) 0.638 ======================= Grid point 37 (26/171) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 8.287 -6.883 -3.646) 11.373 1.348 ( 12.556 -7.893 -5.957) 15.982 1.560 ( 1.109 6.127 -1.817) 6.487 1.665 ( 4.021 6.070 -4.376) 8.495 1.890 ( -2.014 -2.617 -4.538) 5.612 1.944 ( -10.341 -3.864 -2.314) 11.279 2.046 ( -5.784 -1.111 -1.641) 6.114 2.117 ( -0.779 4.755 -0.271) 4.826 2.258 ( 1.077 -6.532 -5.839) 8.827 2.449 ( -1.623 3.532 2.267) 4.500 2.588 ( 3.785 -2.248 -1.007) 4.516 2.740 ( 0.763 -1.330 -1.570) 2.195 2.793 ( 5.161 -3.797 1.414) 6.562 2.920 ( 2.263 2.106 2.105) 3.740 2.990 ( 1.963 -0.294 3.283) 3.837 3.040 ( 0.290 -0.081 0.983) 1.028 3.060 ( 2.780 0.508 -2.251) 3.613 3.183 ( -0.831 4.329 -2.114) 4.889 3.332 ( 3.966 0.260 -1.622) 4.292 3.393 ( -0.724 0.689 -1.704) 1.976 3.572 ( 1.979 -4.522 0.518) 4.963 3.667 ( 0.401 1.141 1.406) 1.854 3.718 ( -0.663 -1.019 0.170) 1.228 3.838 ( -0.685 4.039 2.372) 4.734 3.916 ( -0.295 0.903 -0.539) 1.092 4.018 ( 0.919 1.923 -0.794) 2.274 4.087 ( -0.921 -0.215 0.588) 1.113 4.221 ( -0.457 3.318 1.691) 3.751 4.249 ( -1.436 0.934 1.469) 2.257 4.346 ( 0.059 0.219 -0.248) 0.336 4.369 ( 1.413 -3.284 1.623) 3.926 4.499 ( -0.835 2.641 2.941) 4.040 4.603 ( 0.010 0.047 3.580) 3.581 4.694 ( -2.577 -1.699 -1.950) 3.651 4.732 ( -4.630 -0.999 -1.800) 5.067 4.748 ( -3.846 0.157 0.630) 3.900 5.617 ( -0.290 -1.240 -1.273) 1.801 5.649 ( -1.599 0.532 -1.165) 2.049 6.775 ( 0.946 -0.778 0.093) 1.228 6.810 ( -0.461 0.554 -0.364) 0.808 6.904 ( 1.182 -0.579 2.188) 2.553 6.975 ( -0.360 0.230 -0.339) 0.545 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 12.568 -10.404 0.000) 16.315 1.146 ( 14.474 -10.464 0.000) 17.860 1.540 ( 6.992 5.846 -0.000) 9.115 1.666 ( 2.041 9.045 -0.000) 9.273 1.835 ( 5.133 -8.347 0.000) 9.799 1.948 ( -5.867 -6.551 0.000) 8.794 2.054 ( -7.785 -2.929 -0.000) 8.318 2.120 ( -3.034 2.514 -0.000) 3.940 2.224 ( -7.677 0.329 -0.000) 7.684 2.505 ( -1.497 2.164 -0.000) 2.631 2.541 ( 2.533 -0.102 0.000) 2.535 2.708 ( 0.422 -3.284 0.000) 3.311 2.751 ( 5.321 -1.119 0.000) 5.438 2.920 ( 6.802 2.524 0.000) 7.255 3.006 ( 3.687 -2.316 0.000) 4.354 3.042 ( -2.465 1.268 -0.000) 2.772 3.060 ( -0.360 3.200 -0.000) 3.220 3.184 ( 0.542 2.331 -0.000) 2.394 3.294 ( 4.051 4.024 -0.000) 5.710 3.391 ( -1.774 -0.548 -0.000) 1.856 3.539 ( 1.223 -4.569 0.000) 4.730 3.680 ( 1.545 2.105 -0.000) 2.611 3.719 ( -1.235 -1.014 0.000) 1.598 3.893 ( -0.135 4.573 -0.000) 4.575 3.920 ( -0.146 0.471 -0.000) 0.493 4.015 ( 2.528 3.952 -0.000) 4.691 4.097 ( -2.418 -1.219 -0.000) 2.708 4.253 ( 0.196 0.848 -0.000) 0.871 4.267 ( 1.706 0.924 -0.000) 1.941 4.348 ( 1.524 -0.914 0.000) 1.777 4.362 ( -3.125 -0.318 -0.000) 3.141 4.554 ( 0.587 2.838 -0.000) 2.898 4.636 ( -0.439 -1.244 0.000) 1.319 4.664 ( -1.265 -3.877 0.000) 4.078 4.738 ( -7.668 -1.732 -0.000) 7.861 4.787 ( -3.949 1.081 -0.000) 4.094 5.600 ( -0.481 -1.514 0.000) 1.589 5.655 ( -2.054 0.792 -0.000) 2.201 6.764 ( 0.868 -1.410 0.000) 1.656 6.814 ( -0.483 0.933 -0.000) 1.051 6.908 ( 1.458 -1.603 0.000) 2.167 6.979 ( -0.302 1.427 -0.000) 1.459 ======================= Grid point 45 (28/171) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.000 -0.000 -4.065) 4.065 1.484 ( -0.000 -0.000 -3.510) 3.510 1.705 ( 0.000 0.000 0.967) 0.967 1.855 ( -0.000 -0.000 -1.553) 1.553 1.888 ( -0.000 -0.000 -5.714) 5.714 1.960 ( -0.000 -0.000 -12.133) 12.133 2.049 ( -0.000 -0.000 -9.517) 9.517 2.150 ( -0.000 -0.000 -6.178) 6.178 2.292 ( 0.000 0.000 1.666) 1.666 2.348 ( -0.000 -0.000 -0.966) 0.966 2.696 ( 0.000 0.000 0.574) 0.574 2.823 ( -0.000 -0.000 -2.491) 2.491 2.865 ( 0.000 0.000 4.881) 4.881 2.887 ( 0.000 0.000 2.243) 2.243 2.949 ( 0.000 0.000 3.372) 3.372 3.001 ( 0.000 0.000 0.119) 0.119 3.107 ( -0.000 -0.000 -0.970) 0.970 3.259 ( -0.000 -0.000 -5.472) 5.472 3.387 ( 0.000 0.000 0.186) 0.186 3.428 ( -0.000 -0.000 -2.609) 2.609 3.614 ( 0.000 0.000 2.552) 2.552 3.679 ( 0.000 0.000 1.703) 1.703 3.696 ( -0.000 -0.000 -1.383) 1.383 3.734 ( 0.000 0.000 4.110) 4.110 3.968 ( -0.000 -0.000 -5.992) 5.992 4.013 ( 0.000 0.000 2.752) 2.752 4.063 ( -0.000 -0.000 -1.627) 1.627 4.110 ( 0.000 0.000 0.218) 0.218 4.225 ( 0.000 0.000 1.934) 1.934 4.355 ( 0.000 0.000 3.837) 3.837 4.362 ( 0.000 0.000 0.914) 0.914 4.396 ( 0.000 0.000 3.296) 3.296 4.540 ( 0.000 0.000 4.574) 4.574 4.632 ( 0.000 0.000 1.788) 1.788 4.687 ( -0.000 -0.000 -0.827) 0.827 4.762 ( -0.000 -0.000 -1.092) 1.092 5.654 ( -0.000 -0.000 -2.419) 2.419 5.658 ( -0.000 -0.000 -1.622) 1.622 6.790 ( -0.000 -0.000 -0.197) 0.197 6.808 ( -0.000 -0.000 -0.089) 0.089 6.871 ( 0.000 0.000 2.865) 2.865 6.976 ( 0.000 0.000 0.253) 0.253 ======================= Grid point 49 (29/171) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 1.374 -0.237 -0.081) 1.396 1.420 ( 0.476 2.521 -3.919) 4.684 1.656 ( 9.835 -6.356 -3.385) 12.190 1.721 ( 8.896 2.395 -4.655) 10.322 1.811 ( -11.267 -4.033 -5.275) 13.078 1.873 ( -6.286 2.445 -3.048) 7.402 1.992 ( -1.894 1.778 -1.121) 2.830 2.058 ( 0.788 -1.047 -3.055) 3.324 2.316 ( 0.036 -0.537 -0.520) 0.749 2.351 ( -3.397 4.544 -0.286) 5.681 2.694 ( 2.672 -2.424 0.902) 3.719 2.768 ( 0.882 -1.622 -2.800) 3.354 2.909 ( 4.788 -4.229 4.157) 7.621 2.938 ( 2.128 0.216 3.582) 4.172 2.999 ( -1.411 -1.860 2.219) 3.221 3.029 ( -1.304 3.349 1.185) 3.784 3.093 ( 2.617 0.198 -0.847) 2.758 3.163 ( 2.066 0.625 -3.886) 4.445 3.351 ( -0.424 -0.169 -4.119) 4.145 3.365 ( -1.293 2.271 -3.742) 4.565 3.640 ( 0.921 -1.861 1.170) 2.384 3.669 ( 0.834 -0.995 0.008) 1.299 3.727 ( -0.160 -0.291 2.563) 2.585 3.797 ( 0.144 1.013 1.441) 1.768 3.905 ( -0.372 0.305 -0.108) 0.493 4.013 ( 0.867 -0.094 -2.535) 2.680 4.071 ( -1.544 0.900 1.552) 2.367 4.125 ( -2.676 3.894 -0.553) 4.757 4.266 ( 0.917 -0.832 3.278) 3.504 4.354 ( 0.683 -0.868 -0.908) 1.430 4.415 ( 0.465 -0.651 2.792) 2.905 4.450 ( -1.124 1.755 1.886) 2.811 4.606 ( 0.689 0.233 3.423) 3.499 4.667 ( -2.249 -1.428 0.172) 2.670 4.681 ( -2.167 1.022 0.271) 2.412 4.736 ( -0.219 -0.480 -1.733) 1.811 5.622 ( -0.268 -0.271 -1.285) 1.341 5.631 ( -0.404 -0.009 -1.436) 1.492 6.789 ( 0.324 -0.069 0.209) 0.392 6.804 ( -0.061 0.017 -0.430) 0.434 6.917 ( 0.303 -0.012 2.546) 2.564 6.973 ( -0.056 -0.175 -0.617) 0.643 ======================= Grid point 50 (30/171) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 7.421 -5.058 0.000) 8.980 1.384 ( 6.257 1.337 0.000) 6.398 1.537 ( 3.245 -1.254 0.000) 3.478 1.641 ( 9.026 4.867 -0.000) 10.255 1.821 ( -9.625 -5.325 0.000) 11.000 1.890 ( -7.579 -3.358 -0.000) 8.290 1.994 ( -3.500 1.472 -0.000) 3.797 2.071 ( -3.323 5.114 -0.000) 6.099 2.273 ( 3.843 -5.382 0.000) 6.613 2.415 ( -4.403 6.207 -0.000) 7.610 2.645 ( 6.013 -6.483 0.000) 8.842 2.731 ( 0.069 -0.796 0.000) 0.799 2.878 ( 6.678 -5.616 0.000) 8.726 2.956 ( 2.057 -0.587 0.000) 2.139 3.016 ( 0.832 2.985 -0.000) 3.099 3.045 ( 3.136 2.469 -0.000) 3.991 3.081 ( 2.835 -1.389 0.000) 3.157 3.128 ( -0.787 3.541 -0.000) 3.627 3.308 ( -0.515 0.023 -0.000) 0.515 3.367 ( -2.184 2.126 -0.000) 3.048 3.616 ( 1.860 -4.637 0.000) 4.996 3.674 ( -1.123 -0.117 -0.000) 1.129 3.737 ( 2.383 -1.567 0.000) 2.852 3.813 ( -1.284 4.573 -0.000) 4.750 3.937 ( 0.532 -1.059 0.000) 1.185 3.978 ( -2.041 1.538 -0.000) 2.556 4.091 ( 0.201 0.586 -0.000) 0.619 4.176 ( -3.786 6.246 -0.000) 7.304 4.293 ( 1.217 -2.282 0.000) 2.586 4.328 ( -0.272 0.409 -0.000) 0.491 4.418 ( 2.182 -2.754 0.000) 3.514 4.497 ( -2.268 3.493 -0.000) 4.165 4.643 ( -0.302 -0.966 0.000) 1.012 4.663 ( -1.977 0.202 -0.000) 1.988 4.700 ( -1.522 -2.022 0.000) 2.531 4.728 ( -2.887 0.762 -0.000) 2.985 5.610 ( -0.201 -0.899 0.000) 0.921 5.625 ( -1.255 0.437 -0.000) 1.329 6.787 ( 0.690 -0.694 0.000) 0.979 6.801 ( -0.251 0.535 -0.000) 0.591 6.941 ( 0.963 -1.038 0.000) 1.416 6.961 ( -0.391 0.718 -0.000) 0.818 ======================= Grid point 60 (31/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 -0.000 0.000) 0.000 1.355 ( 0.000 -0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.776 ( -0.000 -0.000 0.000) 0.000 1.776 ( -0.000 -0.000 0.000) 0.000 2.009 ( -0.000 -0.000 0.000) 0.000 2.009 ( -0.000 -0.000 0.000) 0.000 2.317 ( 0.000 -0.000 0.000) 0.000 2.317 ( 0.000 -0.000 0.000) 0.000 2.735 ( 0.000 -0.000 0.000) 0.000 2.735 ( 0.000 -0.000 0.000) 0.000 2.993 ( 0.000 -0.000 0.000) 0.000 2.993 ( 0.000 -0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 3.299 ( 0.000 -0.000 0.000) 0.000 3.299 ( 0.000 -0.000 0.000) 0.000 3.665 ( 0.000 -0.000 0.000) 0.000 3.665 ( 0.000 -0.000 0.000) 0.000 3.777 ( 0.000 -0.000 0.000) 0.000 3.777 ( 0.000 -0.000 0.000) 0.000 3.954 ( 0.000 -0.000 0.000) 0.000 3.954 ( 0.000 -0.000 0.000) 0.000 4.088 ( 0.000 -0.000 0.000) 0.000 4.088 ( 0.000 -0.000 0.000) 0.000 4.326 ( 0.000 -0.000 0.000) 0.000 4.326 ( 0.000 -0.000 0.000) 0.000 4.451 ( 0.000 -0.000 0.000) 0.000 4.451 ( 0.000 -0.000 0.000) 0.000 4.647 ( 0.000 -0.000 0.000) 0.000 4.647 ( 0.000 -0.000 0.000) 0.000 4.702 ( 0.000 -0.000 0.000) 0.000 4.702 ( 0.000 -0.000 0.000) 0.000 5.614 ( 0.000 -0.000 0.000) 0.000 5.614 ( 0.000 -0.000 0.000) 0.000 6.796 ( 0.000 -0.000 0.000) 0.000 6.796 ( 0.000 -0.000 0.000) 0.000 6.954 ( 0.000 -0.000 0.000) 0.000 6.954 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 112 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( 0.000 21.484 -0.000) 21.484 0.269 ( 0.000 23.732 -0.000) 23.732 0.445 ( 0.000 39.223 -0.000) 39.223 1.577 ( -0.000 -5.499 0.000) 5.499 1.830 ( -0.000 -5.643 0.000) 5.643 2.033 ( 0.000 4.881 -0.000) 4.881 2.322 ( -0.000 -1.373 0.000) 1.373 2.375 ( 0.000 1.996 -0.000) 1.996 2.411 ( -0.000 -2.821 0.000) 2.821 2.533 ( 0.000 4.544 -0.000) 4.544 2.602 ( -0.000 -1.541 0.000) 1.541 2.604 ( -0.000 -0.533 0.000) 0.533 2.833 ( -0.000 -1.891 0.000) 1.891 2.871 ( 0.000 1.895 -0.000) 1.895 2.890 ( 0.000 0.365 -0.000) 0.365 2.944 ( -0.000 -2.162 0.000) 2.162 2.999 ( -0.000 -5.665 0.000) 5.665 3.253 ( 0.000 2.274 -0.000) 2.274 3.343 ( 0.000 0.130 -0.000) 0.130 3.401 ( -0.000 -0.656 0.000) 0.656 3.608 ( 0.000 1.142 -0.000) 1.142 3.609 ( -0.000 -9.919 0.000) 9.919 3.766 ( -0.000 -4.009 0.000) 4.009 3.829 ( -0.000 -0.018 0.000) 0.018 3.891 ( 0.000 0.608 -0.000) 0.608 3.917 ( 0.000 1.786 -0.000) 1.786 4.099 ( 0.000 1.347 -0.000) 1.347 4.193 ( -0.000 -2.419 0.000) 2.419 4.292 ( 0.000 3.876 -0.000) 3.876 4.298 ( 0.000 3.043 -0.000) 3.043 4.384 ( 0.000 3.914 -0.000) 3.914 4.489 ( -0.000 -1.474 0.000) 1.474 4.576 ( 0.000 1.103 -0.000) 1.103 4.659 ( 0.000 0.151 -0.000) 0.151 4.893 ( -0.000 -0.642 0.000) 0.642 5.273 ( -0.000 -2.755 0.000) 2.755 5.588 ( 0.000 0.926 -0.000) 0.926 5.734 ( -0.000 -0.472 0.000) 0.472 6.803 ( 0.000 0.201 -0.000) 0.201 6.812 ( 0.000 0.640 -0.000) 0.640 6.885 ( -0.000 -0.496 0.000) 0.496 6.915 ( -0.000 -0.247 0.000) 0.247 ======================= Grid point 113 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -6.241 17.080 11.450) 21.489 0.588 ( -5.641 15.936 15.641) 23.031 0.935 ( -9.008 24.188 24.993) 35.928 1.614 ( -0.848 -7.372 7.680) 10.679 1.818 ( -0.512 -7.069 3.187) 7.771 2.058 ( -0.581 6.568 -0.655) 6.626 2.311 ( 6.048 -1.168 1.765) 6.407 2.380 ( 0.725 -1.372 -0.238) 1.570 2.410 ( 0.391 0.559 2.336) 2.434 2.534 ( 1.397 3.327 -1.438) 3.885 2.579 ( -1.055 -0.786 -1.793) 2.223 2.584 ( 0.457 -1.208 -0.818) 1.529 2.811 ( 1.612 -3.506 -1.432) 4.116 2.862 ( 0.541 1.120 -1.515) 1.960 2.882 ( 1.921 -3.717 0.427) 4.206 2.947 ( -0.901 1.534 0.614) 1.881 3.009 ( -6.516 -5.188 0.635) 8.354 3.207 ( 2.611 3.549 -2.333) 4.985 3.353 ( -1.445 -1.015 0.387) 1.808 3.413 ( -0.293 -0.441 1.341) 1.441 3.549 ( -0.067 -9.809 -0.191) 9.811 3.638 ( -3.230 -1.590 0.650) 3.658 3.737 ( 1.143 -3.387 0.152) 3.578 3.834 ( -2.299 0.503 -1.256) 2.667 3.892 ( 0.072 1.215 -1.855) 2.219 3.921 ( -4.355 1.730 -0.376) 4.701 4.071 ( -1.451 2.653 -4.329) 5.280 4.189 ( 0.242 -0.900 0.072) 0.934 4.281 ( 0.651 0.661 -1.476) 1.744 4.353 ( 1.227 4.069 2.482) 4.921 4.415 ( -0.737 -0.521 -0.733) 1.162 4.476 ( -0.496 -2.718 -0.124) 2.766 4.584 ( 0.378 2.299 -0.281) 2.347 4.646 ( -0.561 -0.279 -0.909) 1.104 4.881 ( 0.816 -0.421 -0.689) 1.148 5.177 ( 11.844 1.789 -2.080) 12.158 5.602 ( 0.206 1.292 0.998) 1.646 5.740 ( 1.138 -0.991 1.139) 1.891 6.734 ( 1.721 3.824 -2.035) 4.661 6.804 ( -0.970 0.424 -0.722) 1.281 6.893 ( 2.608 -0.504 0.526) 2.708 6.953 ( -4.511 -1.813 -0.109) 4.863 ======================= Grid point 114 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -6.393 12.552 12.741) 18.993 0.965 ( -7.084 13.520 13.818) 20.589 1.534 ( -6.714 12.365 24.360) 28.131 1.730 ( -0.573 -7.016 9.920) 12.164 1.869 ( -0.740 -6.113 7.099) 9.397 2.103 ( -0.297 5.785 1.481) 5.979 2.277 ( 6.755 -0.229 0.051) 6.759 2.362 ( 3.983 -1.334 0.602) 4.243 2.448 ( 3.741 -2.503 2.516) 5.156 2.500 ( 1.060 -0.171 -0.133) 1.082 2.537 ( -1.689 -0.606 -2.187) 2.829 2.607 ( -3.860 -0.152 0.717) 3.929 2.759 ( -0.186 -0.475 -1.722) 1.796 2.831 ( -0.279 0.961 -2.528) 2.718 2.862 ( 1.453 -2.732 0.965) 3.242 2.967 ( -1.679 2.126 -1.085) 2.919 3.035 ( -5.301 -3.193 1.061) 6.279 3.185 ( 2.405 1.377 0.011) 2.771 3.343 ( -0.863 -3.252 -1.614) 3.731 3.423 ( -0.763 -3.251 -0.104) 3.341 3.527 ( -0.054 -4.896 3.052) 5.770 3.647 ( -2.353 -3.097 -1.228) 4.078 3.719 ( 0.264 -0.597 0.074) 0.657 3.832 ( -1.093 1.208 -0.319) 1.660 3.873 ( -0.882 0.249 -0.971) 1.335 3.946 ( -3.075 1.494 -1.172) 3.614 4.024 ( -2.538 2.941 -4.323) 5.812 4.170 ( 1.461 -1.154 -0.934) 2.083 4.254 ( -0.159 1.039 -1.895) 2.167 4.373 ( 0.679 -1.555 -1.748) 2.436 4.389 ( 2.641 0.561 0.300) 2.716 4.472 ( -1.489 -1.722 0.454) 2.322 4.569 ( 1.553 0.484 -2.041) 2.610 4.643 ( -2.722 0.091 -0.613) 2.792 4.857 ( 2.359 1.499 -1.172) 3.031 5.066 ( 8.893 2.521 -4.117) 10.118 5.631 ( 0.353 1.437 1.595) 2.176 5.744 ( 1.507 -0.976 0.980) 2.046 6.733 ( -0.020 1.942 0.038) 1.942 6.798 ( -1.294 0.209 -1.092) 1.706 6.878 ( 2.095 -0.314 -0.066) 2.120 6.961 ( -2.038 -0.579 -0.597) 2.201 ======================= Grid point 115 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -4.623 9.525 10.907) 15.201 1.292 ( -6.701 10.781 11.063) 16.837 1.795 ( 1.714 -4.858 7.610) 9.190 1.916 ( -4.430 -5.947 8.621) 11.371 2.030 ( 3.085 3.383 9.627) 10.660 2.155 ( 1.620 -2.648 2.659) 4.087 2.238 ( 4.483 1.393 0.128) 4.696 2.314 ( 2.870 2.186 -1.919) 4.086 2.458 ( 1.098 -2.561 3.246) 4.278 2.511 ( 3.587 0.225 3.813) 5.240 2.542 ( -3.143 -0.186 1.171) 3.359 2.657 ( -4.923 1.529 1.212) 5.296 2.752 ( -0.187 1.559 -1.027) 1.877 2.813 ( -2.069 1.418 0.017) 2.509 2.866 ( 0.650 -0.385 1.537) 1.713 2.964 ( -2.356 0.750 -1.087) 2.701 3.094 ( -5.192 -0.588 2.895) 5.974 3.186 ( 2.267 -0.225 1.120) 2.538 3.278 ( 0.490 -3.412 -2.968) 4.549 3.395 ( -2.531 -4.290 -1.887) 5.326 3.561 ( 1.092 -0.129 0.848) 1.389 3.594 ( -0.077 -4.252 -1.288) 4.443 3.729 ( 0.108 0.250 0.704) 0.755 3.845 ( -2.413 1.358 -1.479) 3.139 3.884 ( -1.065 -0.845 1.892) 2.330 3.939 ( -1.909 1.491 -1.898) 3.077 4.002 ( -2.916 1.427 -2.191) 3.917 4.133 ( 1.285 -0.821 -1.235) 1.962 4.231 ( -1.037 0.023 -1.868) 2.137 4.314 ( 0.246 -1.920 -2.756) 3.368 4.368 ( 4.360 0.204 -0.561) 4.400 4.477 ( 0.506 -2.091 -0.314) 2.174 4.516 ( 0.199 -1.630 -1.330) 2.113 4.655 ( -4.440 -0.187 -1.033) 4.562 4.824 ( 4.416 3.976 -1.917) 6.244 4.953 ( 7.202 2.853 -4.380) 8.899 5.664 ( 0.273 1.308 1.522) 2.026 5.743 ( 1.248 -0.857 0.636) 1.642 6.750 ( -0.503 0.909 0.685) 1.245 6.789 ( -1.231 -0.044 -0.967) 1.566 6.860 ( 1.808 -0.174 -0.363) 1.852 6.957 ( -0.999 0.047 -0.817) 1.291 ======================= Grid point 116 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -1.629 6.157 6.010) 8.757 1.531 ( -4.024 7.037 5.999) 10.085 1.873 ( 2.137 -2.452 6.377) 7.159 2.022 ( -3.208 -3.873 3.826) 6.319 2.054 ( 2.684 -3.353 0.404) 4.314 2.106 ( 4.004 -5.217 -0.860) 6.632 2.225 ( 2.894 1.596 -0.222) 3.312 2.306 ( 1.309 1.449 -0.906) 2.153 2.474 ( -1.830 -1.694 0.109) 2.496 2.540 ( 0.565 3.112 1.374) 3.449 2.665 ( -4.842 -0.974 0.727) 4.992 2.682 ( 1.099 1.988 1.939) 2.986 2.767 ( 1.559 0.278 4.342) 4.622 2.853 ( -0.753 2.748 0.725) 2.940 2.910 ( 1.289 0.595 3.811) 4.067 3.000 ( -5.469 1.167 1.588) 5.813 3.141 ( 2.260 -4.775 -1.573) 5.512 3.184 ( -4.451 2.923 1.220) 5.462 3.263 ( 0.404 1.284 2.015) 2.424 3.353 ( -2.224 -3.103 -1.688) 4.175 3.497 ( 1.068 -0.075 -3.778) 3.927 3.610 ( -0.233 -2.466 1.992) 3.178 3.732 ( 0.660 0.127 -0.217) 0.706 3.836 ( -1.202 1.559 -1.149) 2.279 3.905 ( 1.427 -2.357 0.739) 2.853 3.942 ( -3.428 1.101 -0.994) 3.735 3.995 ( -2.232 -0.336 -1.077) 2.501 4.114 ( 0.196 0.142 -0.225) 0.330 4.201 ( -0.589 -1.071 -1.552) 1.976 4.269 ( -0.419 -3.098 -1.122) 3.321 4.326 ( 3.713 3.042 -1.442) 5.012 4.438 ( 0.664 -1.554 -0.790) 1.865 4.526 ( -1.357 -2.568 2.283) 3.694 4.660 ( -3.632 -0.622 -1.693) 4.055 4.779 ( 4.767 4.103 -2.212) 6.667 4.856 ( 5.897 1.978 -3.501) 7.138 5.688 ( 0.181 0.782 0.726) 1.082 5.741 ( 0.535 -0.511 0.379) 0.831 6.768 ( -0.501 0.444 0.385) 0.772 6.785 ( -0.730 -0.082 0.050) 0.736 6.839 ( 1.417 -0.280 -0.619) 1.572 6.949 ( -0.579 0.231 -0.757) 0.980 ======================= Grid point 117 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 2.898 2.042 -2.020) 4.080 1.581 ( 2.985 0.212 -3.629) 4.704 1.948 ( -1.246 1.640 1.731) 2.690 2.025 ( -2.704 -1.736 0.997) 3.364 2.052 ( 2.366 -0.899 2.089) 3.282 2.106 ( -0.843 -2.522 2.662) 3.763 2.216 ( 0.258 0.195 -0.064) 0.330 2.274 ( -0.523 -1.573 -1.597) 2.302 2.476 ( -3.209 0.275 -1.621) 3.606 2.579 ( 0.888 4.164 0.938) 4.359 2.638 ( -2.655 -0.899 -1.746) 3.302 2.710 ( 0.627 -0.533 0.259) 0.862 2.810 ( 2.394 -1.662 0.667) 2.990 2.880 ( 2.346 3.778 -0.390) 4.465 2.942 ( 1.642 -0.825 0.322) 1.865 3.046 ( 1.105 -3.155 -0.341) 3.361 3.080 ( -1.932 0.671 -0.152) 2.051 3.223 ( -2.900 -0.377 -2.417) 3.794 3.270 ( -0.127 1.348 -0.295) 1.386 3.376 ( -0.793 1.316 2.236) 2.713 3.464 ( 0.383 2.013 0.434) 2.095 3.608 ( -1.401 -3.685 -0.615) 3.990 3.730 ( 2.052 1.236 1.173) 2.668 3.844 ( 0.044 1.119 -0.469) 1.215 3.884 ( 1.848 -1.092 1.305) 2.512 3.950 ( -2.366 -0.812 -1.268) 2.805 3.991 ( 0.608 -0.683 0.703) 1.153 4.116 ( -0.848 0.121 0.024) 0.857 4.199 ( -1.386 0.378 0.577) 1.548 4.246 ( -0.432 -2.014 0.017) 2.060 4.314 ( 0.722 2.252 -0.022) 2.365 4.444 ( -0.306 1.777 1.703) 2.480 4.576 ( -2.612 -3.275 3.710) 5.596 4.634 ( 0.309 1.170 -2.355) 2.648 4.738 ( 3.224 0.630 -1.450) 3.591 4.785 ( 2.424 -0.204 -1.464) 2.839 5.692 ( 0.159 -0.021 -0.436) 0.465 5.743 ( -0.402 0.014 0.140) 0.426 6.771 ( 0.298 0.079 -0.069) 0.316 6.796 ( 0.189 0.428 0.040) 0.470 6.823 ( 0.215 -0.669 0.241) 0.743 6.944 ( -0.497 0.141 -0.344) 0.621 ======================= Grid point 118 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 7.070 -0.320 -9.123) 11.546 1.405 ( 7.422 -3.691 -10.433) 13.325 1.939 ( -2.337 2.285 -5.035) 6.003 2.038 ( -5.327 -1.262 -1.873) 5.786 2.111 ( 2.223 2.252 0.021) 3.165 2.144 ( -2.526 -0.569 4.098) 4.848 2.211 ( -0.556 -0.997 -0.491) 1.243 2.254 ( -3.522 -2.112 -1.794) 4.481 2.483 ( -4.054 0.838 -0.229) 4.146 2.584 ( 0.423 2.923 -2.302) 3.745 2.646 ( 0.478 -0.572 -2.408) 2.521 2.678 ( 2.171 0.400 -0.443) 2.252 2.730 ( 2.341 -1.702 -4.560) 5.401 2.840 ( 3.703 0.847 -3.218) 4.979 2.897 ( 2.105 0.092 -1.517) 2.597 2.975 ( 4.483 -2.144 -1.400) 5.163 3.131 ( -1.211 0.019 -0.339) 1.257 3.185 ( -3.708 -3.160 -0.380) 4.887 3.299 ( -1.389 6.365 0.340) 6.524 3.409 ( 0.286 0.055 1.410) 1.440 3.520 ( -0.767 1.953 3.762) 4.307 3.590 ( -2.079 -3.460 0.072) 4.037 3.755 ( 3.479 2.292 2.467) 4.842 3.832 ( 1.710 -0.082 -0.173) 1.721 3.888 ( 1.357 -1.913 -0.203) 2.354 3.928 ( 0.476 -0.923 -0.127) 1.047 4.003 ( 4.645 0.695 1.659) 4.981 4.129 ( -1.604 1.088 0.086) 1.940 4.204 ( -2.378 -1.462 -1.232) 3.051 4.271 ( -1.060 0.430 2.680) 2.914 4.349 ( -1.822 1.299 2.635) 3.457 4.503 ( -0.712 4.378 1.263) 4.612 4.577 ( 1.836 0.736 -1.214) 2.321 4.675 ( -3.703 -1.769 4.397) 6.015 4.692 ( 3.282 0.509 -0.362) 3.340 4.777 ( -2.274 -4.518 1.752) 5.353 5.674 ( -0.055 -0.385 -1.406) 1.459 5.749 ( -1.147 0.207 -0.182) 1.179 6.760 ( 0.946 -0.227 -0.850) 1.292 6.788 ( 1.091 0.185 0.137) 1.115 6.839 ( -0.916 -0.212 1.080) 1.432 6.947 ( -0.336 0.010 0.275) 0.434 ======================= Grid point 119 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 10.195 -0.738 -13.385) 16.842 1.115 ( 8.934 -3.780 -14.480) 17.429 1.818 ( -1.578 -1.559 -15.416) 15.575 1.986 ( -2.386 2.864 -8.204) 9.011 2.047 ( 2.087 3.125 -5.393) 6.573 2.094 ( 3.666 -5.053 -7.769) 9.967 2.231 ( -6.774 0.983 0.683) 6.878 2.284 ( -4.802 -1.695 3.719) 6.306 2.509 ( -3.637 1.813 -2.462) 4.752 2.532 ( 2.854 -0.304 0.262) 2.882 2.593 ( 0.202 3.854 -3.319) 5.090 2.633 ( 2.578 -2.771 -2.795) 4.705 2.725 ( -2.536 1.079 2.206) 3.530 2.765 ( 4.355 -2.187 0.279) 4.882 2.896 ( 0.853 1.945 1.238) 2.458 2.936 ( 4.997 -2.023 1.619) 5.629 3.103 ( 0.474 0.448 -1.589) 1.718 3.184 ( -4.264 -0.330 -2.882) 5.157 3.366 ( -0.394 3.363 2.458) 4.184 3.423 ( -1.243 -1.391 0.159) 1.872 3.580 ( -0.906 1.076 0.849) 1.643 3.631 ( -3.195 -0.811 4.426) 5.519 3.769 ( 5.088 3.731 -0.207) 6.313 3.810 ( 1.931 -2.279 0.207) 2.994 3.880 ( 1.402 -1.928 3.065) 3.882 3.914 ( 3.436 0.624 -0.603) 3.543 3.984 ( 6.439 0.026 1.175) 6.545 4.148 ( -1.183 0.156 0.321) 1.236 4.202 ( -3.388 -0.832 -0.084) 3.490 4.331 ( -1.572 0.182 2.788) 3.206 4.423 ( -2.090 1.995 2.670) 3.934 4.483 ( 2.433 -0.800 -2.546) 3.611 4.579 ( 1.478 1.021 0.688) 1.923 4.690 ( -0.644 3.748 -0.892) 3.907 4.772 ( -3.174 -0.463 4.076) 5.187 4.838 ( -5.347 -5.258 6.293) 9.789 5.644 ( -0.312 -0.326 -1.931) 1.984 5.754 ( -1.667 0.175 -0.513) 1.753 6.732 ( 1.067 -0.372 -1.313) 1.732 6.790 ( 1.145 0.038 0.725) 1.356 6.862 ( -1.212 0.015 0.810) 1.458 6.957 ( 0.343 0.021 0.871) 0.936 ======================= Grid point 120 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 12.541 0.000 -15.525) 19.958 0.768 ( 9.351 0.000 -17.481) 19.825 1.358 ( 6.538 -0.000 -32.477) 33.128 1.854 ( -0.486 -0.000 -10.468) 10.479 1.961 ( 0.918 -0.000 -5.467) 5.543 1.985 ( 1.913 0.000 -0.230) 1.927 2.305 ( -8.996 -0.000 0.974) 9.049 2.349 ( -6.735 -0.000 -1.069) 6.819 2.454 ( 0.730 -0.000 -2.680) 2.778 2.526 ( 6.703 0.000 -0.623) 6.732 2.561 ( -2.060 -0.000 -0.435) 2.106 2.591 ( 0.349 0.000 -0.328) 0.478 2.774 ( 1.504 0.000 3.681) 3.976 2.804 ( -3.984 -0.000 2.932) 4.946 2.920 ( 7.897 0.000 2.447) 8.267 2.933 ( -5.169 -0.000 -0.238) 5.175 3.084 ( 3.835 0.000 0.652) 3.890 3.159 ( -3.409 -0.000 -2.441) 4.193 3.403 ( -0.555 -0.000 0.433) 0.704 3.411 ( -0.663 -0.000 -1.995) 2.103 3.598 ( -0.632 -0.000 0.530) 0.825 3.728 ( 5.245 0.000 -0.540) 5.272 3.730 ( -3.605 -0.000 4.039) 5.414 3.808 ( 0.696 0.000 1.159) 1.352 3.865 ( 4.592 0.000 -1.520) 4.837 3.945 ( 1.896 0.000 5.874) 6.173 3.964 ( 7.090 0.000 1.577) 7.263 4.160 ( -1.375 -0.000 0.285) 1.404 4.236 ( -2.454 -0.000 1.596) 2.928 4.363 ( -0.402 -0.000 -1.621) 1.670 4.424 ( 1.786 0.000 0.405) 1.831 4.491 ( -2.135 -0.000 2.008) 2.931 4.580 ( 1.836 0.000 0.598) 1.931 4.682 ( -1.160 -0.000 -1.888) 2.216 4.845 ( -1.856 -0.000 2.642) 3.229 4.980 ( -9.562 -0.000 5.191) 10.880 5.613 ( -0.433 -0.000 -1.813) 1.863 5.755 ( -1.881 -0.000 -0.901) 2.086 6.702 ( 0.930 0.000 -1.176) 1.500 6.795 ( 0.918 0.000 0.704) 1.157 6.882 ( -1.624 -0.000 0.426) 1.679 6.969 ( 1.758 0.000 1.301) 2.187 ======================= Grid point 121 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 20.413 0.000 -0.000) 20.413 0.323 ( 23.583 0.000 -0.000) 23.583 0.514 ( 37.358 0.000 -0.000) 37.358 1.623 ( 2.033 0.000 -0.000) 2.033 1.858 ( 1.030 0.000 -0.000) 1.030 2.015 ( -0.131 -0.000 0.000) 0.131 2.286 ( -7.036 -0.000 0.000) 7.036 2.308 ( -8.168 -0.000 0.000) 8.168 2.429 ( 1.121 0.000 -0.000) 1.121 2.473 ( 0.919 0.000 -0.000) 0.919 2.591 ( -1.485 -0.000 0.000) 1.485 2.597 ( -1.480 -0.000 0.000) 1.480 2.844 ( 0.443 0.000 -0.000) 0.443 2.856 ( 1.680 0.000 -0.000) 1.680 2.884 ( -7.306 -0.000 0.000) 7.306 2.969 ( 8.775 0.000 -0.000) 8.775 3.126 ( -3.792 -0.000 0.000) 3.792 3.150 ( 6.304 0.000 -0.000) 6.304 3.360 ( -0.094 -0.000 0.000) 0.094 3.392 ( -1.884 -0.000 0.000) 1.884 3.627 ( 3.056 0.000 -0.000) 3.056 3.688 ( -4.286 -0.000 0.000) 4.286 3.796 ( -3.937 -0.000 0.000) 3.937 3.850 ( 1.956 0.000 -0.000) 1.956 3.886 ( 7.372 0.000 -0.000) 7.372 4.094 ( 0.374 0.000 -0.000) 0.374 4.161 ( -2.591 -0.000 0.000) 2.591 4.254 ( -1.249 -0.000 0.000) 1.249 4.272 ( 2.588 0.000 -0.000) 2.588 4.362 ( 0.547 0.000 -0.000) 0.547 4.425 ( -0.835 -0.000 0.000) 0.835 4.470 ( -0.167 -0.000 0.000) 0.167 4.625 ( -1.936 -0.000 0.000) 1.936 4.636 ( -1.040 -0.000 0.000) 1.040 4.675 ( 0.935 0.000 -0.000) 0.935 4.888 ( -1.298 -0.000 0.000) 1.298 5.578 ( -0.576 -0.000 0.000) 0.576 5.728 ( -1.218 -0.000 0.000) 1.218 6.680 ( 1.082 0.000 -0.000) 1.082 6.809 ( 1.031 0.000 -0.000) 1.031 6.883 ( -0.739 -0.000 0.000) 0.739 7.042 ( -0.540 -0.000 0.000) 0.540 ======================= Grid point 123 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 9.138 16.754) 19.084 0.763 ( 0.000 10.260 17.289) 20.104 1.364 ( 0.000 8.308 34.151) 35.147 1.808 ( -0.000 -6.710 9.495) 11.626 1.928 ( -0.000 -4.416 5.930) 7.394 2.020 ( 0.000 6.744 1.261) 6.861 2.374 ( -0.000 -3.212 -1.785) 3.675 2.392 ( -0.000 -2.447 2.766) 3.693 2.463 ( 0.000 2.971 4.301) 5.227 2.474 ( 0.000 4.194 -3.425) 5.415 2.554 ( -0.000 -3.308 -0.415) 3.334 2.586 ( -0.000 -0.524 -0.322) 0.615 2.791 ( 0.000 1.082 -4.001) 4.145 2.806 ( -0.000 -3.493 -2.554) 4.327 2.873 ( 0.000 2.951 -1.089) 3.145 2.978 ( -0.000 -0.922 -2.458) 2.626 3.023 ( -0.000 -3.682 3.288) 4.936 3.190 ( 0.000 0.964 1.338) 1.649 3.370 ( -0.000 -3.457 0.237) 3.465 3.431 ( 0.000 0.927 0.875) 1.275 3.617 ( -0.000 -7.185 1.476) 7.335 3.625 ( -0.000 -0.203 -0.668) 0.699 3.744 ( -0.000 -1.804 -2.388) 2.993 3.808 ( 0.000 0.669 -0.673) 0.949 3.860 ( 0.000 3.997 0.132) 3.999 3.901 ( -0.000 -1.548 0.096) 1.551 3.958 ( 0.000 4.130 -5.284) 6.707 4.181 ( 0.000 1.442 -0.792) 1.645 4.251 ( -0.000 -0.292 -1.756) 1.780 4.387 ( 0.000 2.911 3.419) 4.490 4.398 ( -0.000 -1.944 -2.482) 3.152 4.492 ( -0.000 -3.169 -0.790) 3.266 4.568 ( 0.000 1.162 -0.848) 1.439 4.653 ( -0.000 -4.578 0.477) 4.603 4.861 ( 0.000 0.588 -2.066) 2.148 5.093 ( 0.000 4.805 -8.382) 9.661 5.621 ( 0.000 0.769 1.707) 1.872 5.766 ( -0.000 -0.694 0.641) 0.945 6.708 ( 0.000 2.008 0.586) 2.092 6.789 ( -0.000 -0.087 -0.723) 0.728 6.901 ( 0.000 0.162 -0.852) 0.867 6.944 ( -0.000 -0.651 0.025) 0.652 ======================= Grid point 124 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -2.727 8.361 14.573) 17.021 1.098 ( -3.698 8.872 14.193) 17.141 1.865 ( 3.350 -1.758 13.734) 14.246 1.919 ( -3.642 -4.332 10.937) 12.315 2.037 ( 2.045 1.487 11.115) 11.399 2.113 ( -2.544 4.947 4.686) 7.274 2.300 ( 4.391 -0.677 -2.882) 5.296 2.368 ( 4.439 -0.275 -2.771) 5.240 2.446 ( -5.758 0.185 -2.590) 6.316 2.542 ( 0.709 -4.281 2.138) 4.837 2.562 ( 2.133 -0.556 3.446) 4.091 2.595 ( -2.764 0.496 2.077) 3.493 2.736 ( 0.481 1.108 -0.559) 1.331 2.767 ( -1.956 -0.900 -1.706) 2.747 2.878 ( 0.942 2.747 -0.265) 2.916 2.937 ( -0.128 2.216 -1.752) 2.828 3.068 ( -1.438 -4.048 3.964) 5.846 3.221 ( 1.367 -0.915 2.843) 3.285 3.326 ( -0.029 -3.908 -3.004) 4.930 3.414 ( -0.663 -2.976 -2.287) 3.811 3.586 ( 1.598 -1.167 -1.707) 2.613 3.643 ( -0.636 -4.269 1.977) 4.747 3.707 ( -0.585 2.360 -1.128) 2.680 3.810 ( -0.970 0.785 -0.151) 1.257 3.869 ( -1.007 0.244 -1.617) 1.921 3.888 ( -1.711 2.054 -0.849) 2.805 3.942 ( -1.523 2.855 -0.160) 3.240 4.167 ( 1.166 0.252 -1.085) 1.613 4.221 ( -0.189 -1.098 -1.123) 1.582 4.339 ( 0.398 -1.903 -3.018) 3.590 4.434 ( 3.243 -0.618 1.078) 3.473 4.475 ( -1.736 0.170 0.382) 1.786 4.551 ( 0.390 -0.652 -1.480) 1.664 4.618 ( -2.138 -5.263 -1.558) 5.891 4.824 ( 1.379 2.896 -2.915) 4.334 4.973 ( 2.844 6.244 -7.519) 10.178 5.654 ( 0.161 0.861 1.698) 1.911 5.766 ( 0.641 -0.733 0.136) 0.983 6.732 ( -0.208 1.210 1.106) 1.653 6.777 ( -0.503 -0.193 -0.648) 0.843 6.881 ( 1.186 0.404 -0.992) 1.599 6.944 ( -0.956 -0.483 -0.309) 1.115 ======================= Grid point 125 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.738 6.534 10.292) 12.314 1.381 ( -4.973 7.199 10.194) 13.435 1.934 ( 2.229 -3.568 3.630) 5.556 2.015 ( -3.784 -3.934 1.722) 5.724 2.117 ( 2.707 -0.626 -0.288) 2.793 2.182 ( 1.916 -1.241 -3.810) 4.441 2.271 ( 6.038 2.316 1.725) 6.694 2.337 ( 4.239 1.391 1.974) 4.878 2.475 ( -4.404 -3.151 0.597) 5.448 2.545 ( 1.270 -1.374 0.779) 2.027 2.583 ( -4.465 2.814 1.755) 5.562 2.656 ( -1.729 -0.878 1.723) 2.595 2.777 ( 1.717 1.052 5.080) 5.465 2.797 ( -2.479 1.236 2.774) 3.920 2.899 ( 0.108 2.627 1.820) 3.198 2.960 ( -0.612 2.217 2.755) 3.589 3.127 ( -1.374 -1.723 3.030) 3.747 3.234 ( 1.198 -4.697 -2.666) 5.532 3.259 ( 1.584 0.006 2.229) 2.735 3.358 ( -2.315 -3.435 -2.580) 4.880 3.518 ( 0.843 -1.186 -3.740) 4.014 3.647 ( 2.255 -1.093 1.266) 2.807 3.715 ( -1.070 2.311 -1.331) 2.873 3.818 ( -0.946 -0.047 0.057) 0.949 3.866 ( -3.351 1.767 -1.211) 3.977 3.912 ( -2.607 -0.546 0.956) 2.830 3.975 ( 0.066 2.131 1.488) 2.600 4.135 ( 1.333 -1.510 -0.786) 2.162 4.207 ( -0.997 -1.863 -0.279) 2.131 4.280 ( -0.122 -0.926 -2.341) 2.520 4.387 ( 5.904 -0.562 -1.665) 6.160 4.483 ( 1.753 -2.569 -1.279) 3.363 4.521 ( -2.428 -2.177 0.779) 3.353 4.601 ( -5.831 -1.291 -1.574) 6.176 4.778 ( 2.843 5.121 -3.380) 6.762 4.881 ( 3.303 5.144 -4.818) 7.784 5.682 ( 0.182 0.702 1.084) 1.304 5.756 ( 0.568 -0.706 -0.254) 0.941 6.758 ( -0.101 0.622 1.015) 1.194 6.775 ( -0.755 0.009 0.091) 0.761 6.858 ( 1.269 0.459 -1.112) 1.748 6.941 ( -0.769 -0.509 -0.389) 1.001 ======================= Grid point 126 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.458 3.594 3.311) 5.100 1.564 ( -2.149 3.415 3.848) 5.575 1.910 ( -3.530 -1.507 -4.798) 6.144 2.028 ( -1.137 -0.271 -1.274) 1.729 2.067 ( 1.572 -0.684 -0.606) 1.818 2.121 ( 0.944 -0.874 -0.700) 1.464 2.255 ( 3.437 1.152 -0.909) 3.737 2.316 ( 4.604 -1.057 -0.075) 4.724 2.474 ( -1.062 -4.931 0.334) 5.055 2.548 ( 0.509 2.909 0.366) 2.975 2.611 ( -3.605 -2.927 -0.945) 4.739 2.701 ( -1.934 1.410 1.492) 2.820 2.835 ( 0.036 -0.275 1.067) 1.103 2.867 ( 2.276 3.864 1.152) 4.630 2.940 ( -0.577 1.811 -0.232) 1.915 3.040 ( -1.253 0.799 3.842) 4.119 3.116 ( 2.412 -0.383 -1.622) 2.932 3.196 ( -1.027 -4.133 0.317) 4.270 3.297 ( 1.819 0.373 1.633) 2.473 3.342 ( -2.576 -1.282 0.980) 3.039 3.465 ( 1.394 0.176 -0.499) 1.491 3.634 ( 0.234 -2.360 -0.757) 2.489 3.722 ( 0.255 3.000 0.770) 3.107 3.835 ( -0.032 -0.406 1.386) 1.444 3.866 ( -3.034 1.895 -1.839) 4.022 3.939 ( -2.206 -1.130 0.683) 2.571 4.013 ( 2.003 0.124 3.095) 3.689 4.112 ( -0.315 -1.218 -0.736) 1.458 4.200 ( 0.394 -1.154 0.752) 1.432 4.265 ( -1.296 -1.251 -0.127) 1.806 4.314 ( 4.208 1.018 -1.918) 4.735 4.445 ( 1.189 -0.435 -0.069) 1.268 4.558 ( -4.050 -2.063 1.963) 4.951 4.605 ( -3.878 -0.046 -1.983) 4.355 4.739 ( 1.677 3.969 -2.047) 4.770 4.819 ( 3.091 2.310 -2.619) 4.664 5.693 ( 0.221 0.205 0.047) 0.305 5.743 ( -0.021 -0.498 -0.603) 0.782 6.772 ( 0.251 0.338 0.641) 0.767 6.790 ( -0.357 0.231 0.777) 0.886 6.834 ( 0.900 0.347 -0.922) 1.334 6.938 ( -0.754 -0.669 -0.102) 1.013 ======================= Grid point 127 (46/171) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 6.077 0.081 -5.101) 7.935 1.536 ( 5.175 -3.217 -5.851) 8.448 1.857 ( -5.690 3.480 -5.303) 8.521 1.998 ( -3.803 -3.525 -2.304) 5.675 2.088 ( -0.366 3.613 -1.321) 3.865 2.112 ( -0.937 2.554 0.476) 2.762 2.216 ( 0.702 0.726 -1.925) 2.174 2.278 ( 2.247 -3.580 -0.405) 4.246 2.455 ( -1.392 -3.412 -0.573) 3.729 2.555 ( 0.286 2.586 -2.135) 3.366 2.616 ( -2.928 -1.837 0.500) 3.493 2.713 ( 0.777 -0.528 -1.846) 2.071 2.801 ( 4.059 0.808 -5.057) 6.535 2.850 ( 1.199 2.087 0.398) 2.439 2.917 ( 0.774 1.372 -2.397) 2.868 3.054 ( 4.871 -1.602 -0.463) 5.148 3.140 ( -2.164 -0.594 3.483) 4.143 3.171 ( -1.838 -1.532 -1.982) 3.107 3.254 ( 2.876 -1.487 -1.381) 3.520 3.400 ( -0.929 1.266 2.288) 2.775 3.495 ( 0.170 1.589 3.562) 3.904 3.602 ( -0.913 -2.698 -1.230) 3.102 3.761 ( 1.803 3.566 1.697) 4.342 3.833 ( -0.125 -0.180 0.073) 0.231 3.903 ( -1.646 1.369 0.537) 2.208 3.951 ( 0.300 -1.749 1.706) 2.461 4.049 ( 3.064 -0.116 2.857) 4.191 4.104 ( -0.152 -0.045 0.054) 0.168 4.211 ( 0.083 -1.835 0.522) 1.909 4.255 ( -0.836 -0.249 1.021) 1.343 4.316 ( 0.210 2.960 1.517) 3.333 4.458 ( 0.299 2.269 1.244) 2.605 4.571 ( -0.386 2.081 -2.507) 3.281 4.635 ( -5.278 -1.926 3.300) 6.516 4.730 ( 0.130 -0.404 -0.514) 0.667 4.782 ( -0.206 -0.693 -0.441) 0.846 5.681 ( 0.280 -0.557 -1.154) 1.311 5.733 ( -0.971 -0.020 -0.825) 1.274 6.777 ( 1.213 -0.028 -0.083) 1.216 6.798 ( 0.773 0.422 0.469) 0.998 6.829 ( -0.525 0.228 0.374) 0.684 6.942 ( -0.839 -0.730 0.463) 1.205 ======================= Grid point 128 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 10.058 -1.888 -10.098) 14.377 1.308 ( 9.486 -6.132 -11.021) 15.781 1.819 ( -1.335 2.823 -5.517) 6.339 1.935 ( -3.265 -3.929 -7.506) 9.080 2.030 ( 1.336 4.294 -6.155) 7.623 2.126 ( -3.592 0.961 -5.310) 6.482 2.189 ( 0.202 -2.506 -1.868) 3.132 2.253 ( -2.807 -1.370 0.599) 3.180 2.422 ( -3.501 1.240 -3.664) 5.217 2.508 ( -1.865 1.782 -3.981) 4.744 2.597 ( 3.038 0.666 -1.203) 3.334 2.686 ( -0.996 -1.530 -0.323) 1.854 2.722 ( 2.993 -0.809 -0.291) 3.114 2.846 ( 3.583 -0.817 0.482) 3.707 2.894 ( 2.254 2.183 -0.379) 3.161 3.012 ( 4.825 -0.152 1.152) 4.963 3.124 ( -1.837 -0.866 -3.321) 3.893 3.153 ( 1.538 -3.166 0.296) 3.532 3.296 ( -2.224 3.849 3.377) 5.583 3.429 ( -0.747 -1.397 0.438) 1.644 3.554 ( -0.562 1.549 0.878) 1.867 3.605 ( -1.717 -0.529 2.785) 3.315 3.774 ( 2.499 4.010 -0.627) 4.767 3.851 ( 1.168 -0.598 1.530) 2.015 3.903 ( 0.321 0.357 0.064) 0.484 3.970 ( 3.358 -0.949 1.696) 3.880 4.056 ( 3.995 1.760 1.234) 4.537 4.119 ( -0.307 -0.405 1.763) 1.834 4.205 ( -1.145 -4.123 0.677) 4.332 4.305 ( -1.474 1.085 2.753) 3.305 4.371 ( -0.467 3.830 1.957) 4.326 4.491 ( -0.092 1.903 0.522) 1.975 4.555 ( 0.460 3.361 -0.662) 3.456 4.697 ( 1.680 -1.998 -1.027) 2.805 4.724 ( -4.984 -0.888 3.668) 6.252 4.812 ( -6.451 -3.675 2.046) 7.701 5.649 ( 0.026 -0.903 -1.896) 2.100 5.728 ( -1.774 0.247 -1.030) 2.066 6.755 ( 1.476 -0.499 -0.921) 1.810 6.808 ( 1.442 0.143 1.114) 1.828 6.845 ( -0.993 0.346 0.481) 1.157 6.957 ( -0.625 -0.430 1.066) 1.308 ======================= Grid point 129 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 13.769 -2.809 -12.193) 18.605 0.986 ( 12.698 -7.035 -13.491) 19.818 1.546 ( 13.143 -8.264 -21.134) 26.224 1.806 ( -0.576 5.454 -7.710) 9.462 1.947 ( 1.044 4.166 -5.496) 6.975 2.035 ( -1.758 -4.219 -3.399) 5.696 2.185 ( -6.427 0.212 -0.816) 6.482 2.265 ( -7.878 -2.300 -2.330) 8.532 2.431 ( -2.852 3.687 -1.292) 4.837 2.495 ( -3.291 1.655 -1.228) 3.883 2.574 ( 2.440 1.460 -0.109) 2.846 2.642 ( 2.554 -3.532 -1.455) 4.595 2.749 ( -2.138 0.993 2.205) 3.228 2.834 ( 4.444 -1.241 2.567) 5.280 2.884 ( 1.084 1.396 -0.760) 1.924 3.022 ( 5.941 0.642 3.136) 6.748 3.092 ( -2.537 0.709 -1.781) 3.180 3.140 ( 1.008 -1.846 1.001) 2.329 3.366 ( -1.844 1.933 0.838) 2.800 3.412 ( -1.435 -2.264 -1.601) 3.123 3.581 ( 0.113 3.404 0.861) 3.513 3.676 ( -3.354 -0.475 2.913) 4.468 3.765 ( 3.764 4.423 -1.292) 5.949 3.833 ( 1.534 -1.072 -0.190) 1.881 3.914 ( 3.084 1.184 1.148) 3.497 3.980 ( 3.146 -0.340 3.665) 4.842 4.073 ( 5.910 0.744 3.506) 6.912 4.148 ( -0.721 -1.269 1.250) 1.921 4.214 ( -2.015 -3.018 2.012) 4.150 4.356 ( -1.068 0.569 0.696) 1.396 4.411 ( 0.123 4.225 0.144) 4.229 4.491 ( 0.635 -1.565 0.478) 1.755 4.573 ( -0.158 3.071 -0.015) 3.075 4.665 ( 0.452 -0.720 -0.872) 1.218 4.808 ( -3.716 -0.043 2.831) 4.672 4.876 ( -10.394 -4.561 0.778) 11.377 5.612 ( -0.342 -0.840 -1.868) 2.077 5.724 ( -2.217 0.314 -1.131) 2.509 6.726 ( 1.426 -0.952 -0.846) 1.912 6.814 ( 1.612 -0.166 0.899) 1.854 6.861 ( -1.188 0.302 0.353) 1.275 6.980 ( 0.093 0.198 1.527) 1.543 ======================= Grid point 130 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 16.988 -3.139 -12.474) 21.309 0.617 ( 16.373 -5.552 -13.743) 22.085 0.985 ( 25.046 -8.386 -21.669) 34.164 1.695 ( 2.163 2.913 -6.884) 7.782 1.884 ( 0.760 2.637 -3.187) 4.206 2.008 ( -0.697 -2.782 0.756) 2.966 2.231 ( -8.852 3.342 -1.433) 9.570 2.275 ( -8.953 -3.866 -1.003) 9.803 2.434 ( 0.134 2.819 -1.155) 3.049 2.496 ( -1.976 -2.045 -1.581) 3.254 2.578 ( -0.342 1.034 0.395) 1.158 2.592 ( 1.455 -1.474 -0.102) 2.074 2.817 ( -3.691 1.861 1.828) 4.520 2.851 ( 2.713 -0.149 2.198) 3.494 2.870 ( -1.204 0.355 -1.465) 1.929 3.016 ( 8.297 -0.357 1.680) 8.473 3.102 ( -3.520 0.533 -0.404) 3.583 3.153 ( 3.072 -0.082 2.466) 3.941 3.373 ( -0.334 0.328 -1.296) 1.378 3.389 ( -2.288 -1.312 -1.007) 2.823 3.615 ( 0.486 2.470 1.283) 2.826 3.700 ( 1.585 3.582 -2.580) 4.691 3.756 ( -4.023 -1.483 1.213) 4.456 3.845 ( 2.043 0.388 2.021) 2.900 3.913 ( 5.631 -0.047 1.823) 5.919 4.038 ( 3.042 3.718 4.538) 6.608 4.107 ( 7.037 0.607 6.289) 9.458 4.159 ( -0.516 -3.630 1.790) 4.080 4.258 ( -1.400 -0.481 2.357) 2.783 4.327 ( 1.776 -0.826 -2.839) 3.449 4.443 ( -0.241 2.892 0.908) 3.040 4.493 ( -1.466 -0.189 -0.385) 1.528 4.586 ( 0.431 2.673 -0.038) 2.707 4.648 ( -0.618 -1.315 -0.625) 1.582 4.864 ( -2.369 0.246 1.228) 2.679 4.884 ( -14.087 -6.316 -8.128) 17.447 5.585 ( -0.592 -0.527 -1.132) 1.382 5.724 ( -2.002 0.243 -0.789) 2.165 6.698 ( 1.244 -1.233 -0.517) 1.826 6.814 ( 1.436 -0.213 0.477) 1.528 6.875 ( -1.228 0.166 0.126) 1.245 7.009 ( 0.818 0.793 2.064) 2.357 ======================= Grid point 134 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 4.764 12.671) 13.537 1.281 ( 0.000 3.511 12.530) 13.013 1.992 ( -0.000 -2.242 3.045) 3.781 2.026 ( -0.000 -3.635 -3.282) 4.897 2.132 ( 0.000 1.357 2.086) 2.488 2.218 ( -0.000 -2.491 0.280) 2.507 2.313 ( 0.000 4.273 3.039) 5.244 2.351 ( 0.000 3.525 3.301) 4.829 2.367 ( 0.000 1.006 -1.717) 1.990 2.580 ( 0.000 0.529 2.016) 2.085 2.586 ( -0.000 -6.178 -0.515) 6.199 2.663 ( -0.000 -1.618 0.280) 1.642 2.753 ( 0.000 0.779 5.531) 5.586 2.806 ( -0.000 -2.007 5.165) 5.542 2.884 ( 0.000 1.586 2.213) 2.722 2.894 ( 0.000 5.770 0.640) 5.805 3.153 ( -0.000 -2.097 3.744) 4.291 3.263 ( -0.000 -0.669 -5.350) 5.392 3.300 ( -0.000 -2.535 4.161) 4.872 3.383 ( -0.000 -3.983 -3.297) 5.171 3.547 ( -0.000 -2.788 -3.438) 4.426 3.649 ( 0.000 5.452 -1.487) 5.651 3.692 ( -0.000 -1.157 -1.535) 1.922 3.772 ( 0.000 3.085 0.385) 3.109 3.867 ( -0.000 -3.110 1.309) 3.374 3.886 ( 0.000 0.156 0.801) 0.816 3.942 ( 0.000 3.327 2.358) 4.078 4.149 ( 0.000 0.487 -0.908) 1.030 4.233 ( -0.000 -3.093 0.757) 3.185 4.297 ( -0.000 -1.503 -3.313) 3.638 4.440 ( 0.000 1.337 -1.892) 2.316 4.488 ( -0.000 -0.629 2.019) 2.115 4.530 ( 0.000 0.565 -0.423) 0.706 4.611 ( -0.000 -9.189 -4.766) 10.351 4.747 ( 0.000 3.486 -4.363) 5.584 4.827 ( 0.000 8.016 -4.549) 9.216 5.677 ( 0.000 0.358 1.284) 1.333 5.767 ( -0.000 -0.443 -0.505) 0.672 6.750 ( 0.000 0.586 1.531) 1.639 6.770 ( -0.000 -0.114 -0.137) 0.178 6.860 ( 0.000 0.534 -1.441) 1.537 6.942 ( -0.000 -0.548 -0.010) 0.548 ======================= Grid point 135 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.292 4.230 7.619) 8.719 1.479 ( -2.627 3.036 7.532) 8.535 1.892 ( -1.480 -1.437 -9.778) 9.993 2.016 ( -0.354 -0.530 -0.547) 0.840 2.125 ( 1.929 -2.703 -0.767) 3.408 2.153 ( 1.632 -1.681 -2.965) 3.779 2.268 ( 1.851 2.164 -3.255) 4.325 2.354 ( 2.153 3.306 -0.770) 4.020 2.490 ( -3.277 3.009 1.530) 4.704 2.551 ( -0.915 -6.110 0.503) 6.199 2.617 ( 2.519 -1.505 1.537) 3.313 2.658 ( -2.420 -0.889 1.973) 3.246 2.821 ( -0.781 1.773 1.206) 2.282 2.871 ( 0.342 -2.151 1.799) 2.825 2.928 ( 3.053 4.067 0.717) 5.136 2.974 ( -3.094 3.675 2.490) 5.411 3.181 ( 3.447 -2.601 1.695) 4.639 3.221 ( -2.202 -2.219 1.431) 3.438 3.306 ( 0.541 -1.764 -1.502) 2.379 3.352 ( -0.901 -2.637 2.519) 3.757 3.491 ( 1.181 -1.295 -1.002) 2.020 3.657 ( 0.017 -0.061 -1.270) 1.272 3.679 ( 0.665 5.060 1.324) 5.272 3.794 ( -1.861 1.798 -0.443) 2.625 3.869 ( 0.312 -3.171 0.955) 3.326 3.912 ( -2.176 -0.451 1.553) 2.711 4.016 ( 0.767 2.598 4.158) 4.963 4.130 ( 0.246 -0.987 -1.155) 1.539 4.228 ( 1.087 -2.214 0.225) 2.476 4.249 ( -1.358 -0.885 -0.529) 1.705 4.393 ( 5.201 0.168 -2.865) 5.940 4.474 ( 1.686 -1.715 -2.570) 3.520 4.523 ( -5.208 -3.151 -0.324) 6.096 4.543 ( -2.834 1.066 -0.880) 3.153 4.706 ( 0.757 4.434 -2.473) 5.133 4.808 ( 0.790 4.062 -1.940) 4.570 5.693 ( 0.091 0.203 0.386) 0.445 5.751 ( 0.111 -0.591 -1.022) 1.185 6.772 ( 0.369 0.280 0.880) 0.994 6.780 ( -0.583 0.352 1.107) 1.300 6.838 ( 0.483 0.678 -1.396) 1.625 6.940 ( -0.307 -0.960 0.199) 1.028 ======================= Grid point 136 (52/171) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 4.376 0.809 -0.482) 4.476 1.592 ( -1.266 0.442 1.914) 2.338 1.741 ( -4.252 1.334 -9.139) 10.168 1.969 ( -2.782 -0.537 -4.306) 5.154 2.075 ( 2.931 0.889 -2.284) 3.821 2.110 ( 1.558 0.164 -0.770) 1.746 2.208 ( -0.164 0.106 -4.304) 4.308 2.336 ( 1.135 -0.540 -0.919) 1.557 2.486 ( 0.745 -0.248 -3.654) 3.738 2.539 ( -1.626 -1.404 -0.765) 2.280 2.619 ( -0.570 -1.093 1.449) 1.902 2.711 ( 0.748 -0.057 0.888) 1.162 2.806 ( 0.337 3.469 -3.438) 4.896 2.853 ( -0.612 -3.143 -0.895) 3.325 2.917 ( 3.414 2.482 -0.923) 4.321 3.052 ( -3.489 4.079 2.617) 5.971 3.153 ( 1.947 -4.043 -0.631) 4.531 3.206 ( 1.309 -4.601 -0.891) 4.866 3.334 ( 0.295 -0.700 0.976) 1.237 3.370 ( 0.816 -0.879 2.803) 3.049 3.494 ( 1.241 0.551 2.785) 3.099 3.632 ( 0.797 -2.358 -0.964) 2.669 3.727 ( 1.142 5.089 0.982) 5.308 3.814 ( -3.573 1.158 -0.798) 3.840 3.875 ( 0.589 -0.771 2.421) 2.608 3.957 ( -1.589 -1.863 2.609) 3.579 4.085 ( 2.296 1.044 2.661) 3.666 4.111 ( -0.050 -0.794 1.170) 1.415 4.227 ( 0.977 1.153 1.354) 2.029 4.263 ( -0.907 -1.894 -0.099) 2.102 4.306 ( 3.087 0.527 -1.256) 3.374 4.451 ( 1.185 1.541 0.255) 1.961 4.518 ( -3.299 2.833 -3.286) 5.450 4.583 ( -4.595 -1.538 2.500) 5.453 4.705 ( -1.648 1.195 -0.109) 2.039 4.790 ( 0.967 1.159 -1.308) 1.998 5.690 ( 0.242 -0.258 -0.647) 0.737 5.726 ( -0.399 -0.516 -1.547) 1.679 6.790 ( 0.785 0.333 1.028) 1.335 6.801 ( 0.109 0.239 0.783) 0.826 6.819 ( 0.005 0.775 -0.650) 1.012 6.943 ( -0.617 -1.255 0.572) 1.511 ======================= Grid point 137 (53/171) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 7.724 -1.905 -6.690) 10.394 1.496 ( 7.526 -6.279 -7.003) 12.046 1.708 ( -5.982 5.617 -3.384) 8.876 1.929 ( -5.864 -0.224 -4.104) 7.161 1.995 ( 2.148 0.620 -6.318) 6.702 2.096 ( 0.144 0.671 -2.507) 2.599 2.156 ( -1.973 3.567 -1.606) 4.381 2.267 ( -2.530 -5.265 -6.768) 8.940 2.413 ( 1.822 1.725 -3.413) 4.236 2.497 ( 0.897 -0.412 -4.567) 4.673 2.633 ( 3.329 0.355 -1.574) 3.700 2.673 ( -0.261 0.668 1.396) 1.569 2.773 ( 0.764 -3.429 -1.584) 3.853 2.857 ( -1.956 -0.480 1.153) 2.321 2.907 ( 2.896 2.523 1.056) 3.983 3.073 ( 1.631 -0.315 -2.708) 3.177 3.128 ( 2.675 -1.943 -1.087) 3.481 3.190 ( -3.138 -0.508 2.751) 4.204 3.293 ( 4.931 -2.468 0.655) 5.553 3.426 ( -1.226 -0.254 1.926) 2.297 3.542 ( 0.657 -0.077 1.598) 1.730 3.603 ( 0.582 -0.762 0.915) 1.325 3.750 ( 1.231 4.698 -0.637) 4.898 3.832 ( -2.902 1.411 -0.503) 3.266 3.911 ( 0.957 0.008 2.149) 2.352 3.995 ( -0.750 -1.530 2.209) 2.790 4.080 ( 3.120 0.724 -0.015) 3.203 4.148 ( 1.843 0.300 2.227) 2.906 4.243 ( 0.034 -3.180 2.119) 3.821 4.269 ( -0.785 1.815 1.214) 2.320 4.331 ( 0.698 3.384 2.053) 4.019 4.471 ( 0.378 1.787 1.326) 2.258 4.514 ( -0.810 3.954 -0.648) 4.087 4.660 ( -6.043 -1.457 3.069) 6.933 4.725 ( -2.592 -1.571 0.014) 3.031 4.767 ( -1.669 -0.876 -1.039) 2.152 5.663 ( 0.395 -1.012 -1.742) 2.053 5.704 ( -1.365 0.001 -1.576) 2.085 6.780 ( 1.487 -0.219 -0.632) 1.630 6.819 ( 0.306 0.543 0.806) 1.019 6.831 ( -0.060 0.481 1.203) 1.297 6.954 ( -0.877 -1.096 0.908) 1.671 ======================= Grid point 138 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 11.669 -4.000 -8.469) 14.963 1.241 ( 12.345 -8.033 -9.992) 17.797 1.716 ( -1.272 5.922 -3.011) 6.765 1.809 ( 6.806 -4.151 -10.378) 13.086 1.910 ( -3.682 -0.006 -4.575) 5.872 2.012 ( 0.145 -0.121 -6.053) 6.056 2.134 ( -6.840 -3.160 -5.765) 9.487 2.194 ( -2.421 1.770 -2.034) 3.624 2.325 ( -3.120 1.326 -4.663) 5.765 2.465 ( 0.391 2.117 0.588) 2.232 2.598 ( 2.475 0.988 -0.954) 2.830 2.700 ( 0.656 -3.147 0.118) 3.217 2.730 ( 0.038 -0.736 -0.140) 0.750 2.885 ( 0.782 -0.473 1.972) 2.173 2.923 ( 5.010 1.431 2.095) 5.616 3.040 ( -2.213 0.206 -0.871) 2.387 3.075 ( 3.264 -0.023 -0.649) 3.328 3.206 ( 2.356 -2.934 0.393) 3.783 3.318 ( -0.970 1.840 2.223) 3.044 3.431 ( -0.472 -2.673 -0.897) 2.859 3.541 ( 0.455 2.668 -0.605) 2.774 3.649 ( -2.020 -0.842 2.797) 3.552 3.748 ( 1.791 4.710 -1.467) 5.248 3.843 ( -0.151 1.152 0.191) 1.177 3.936 ( 0.705 -0.293 1.465) 1.652 4.021 ( 2.145 0.952 1.971) 3.065 4.081 ( 1.113 1.262 1.274) 2.110 4.182 ( 1.630 0.060 3.227) 3.616 4.250 ( 1.030 -4.048 1.782) 4.541 4.315 ( -1.577 2.773 0.777) 3.283 4.372 ( 0.377 3.141 1.068) 3.339 4.496 ( 0.536 2.030 0.849) 2.264 4.552 ( 0.022 0.929 2.235) 2.420 4.697 ( 0.578 -2.562 -1.547) 3.048 4.746 ( -5.535 -0.335 2.595) 6.122 4.786 ( -8.133 -2.177 -0.837) 8.461 5.623 ( 0.082 -1.255 -1.922) 2.297 5.691 ( -2.036 0.305 -1.406) 2.493 6.756 ( 1.564 -0.765 -0.543) 1.824 6.828 ( -0.122 0.574 0.115) 0.598 6.854 ( 0.884 -0.200 1.584) 1.825 6.973 ( -0.889 -0.231 1.055) 1.399 ======================= Grid point 139 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 14.825 -6.855 -9.629) 18.960 0.928 ( 17.380 -8.114 -8.097) 20.820 1.462 ( 22.385 -12.862 -10.271) 27.785 1.689 ( 4.826 5.148 -3.522) 7.887 1.841 ( 0.333 4.971 -4.099) 6.451 1.982 ( -9.096 -2.241 -1.273) 9.454 2.105 ( -7.952 -1.302 -2.643) 8.481 2.189 ( -6.711 -0.829 -1.180) 6.864 2.337 ( -6.394 4.931 -2.116) 8.347 2.490 ( -0.607 -0.688 1.287) 1.580 2.572 ( 1.638 1.157 -0.930) 2.211 2.651 ( 1.650 -3.415 -1.439) 4.057 2.747 ( -0.691 2.266 0.619) 2.449 2.891 ( 4.784 0.325 0.966) 4.891 2.926 ( 4.732 -0.966 1.874) 5.180 3.042 ( -4.152 -1.817 -0.413) 4.551 3.102 ( 1.265 2.562 3.097) 4.214 3.176 ( 3.495 -0.166 -0.242) 3.508 3.353 ( -2.590 0.015 -0.008) 2.590 3.395 ( 0.289 -2.438 -1.123) 2.700 3.549 ( -0.369 5.968 -1.337) 6.127 3.695 ( -1.973 -1.088 1.243) 2.573 3.730 ( 1.013 2.811 -1.323) 3.268 3.869 ( 2.166 0.735 2.564) 3.436 3.952 ( 0.510 0.387 1.092) 1.266 4.052 ( 4.087 2.946 2.685) 5.708 4.103 ( -1.856 0.543 0.262) 1.951 4.222 ( 1.840 -0.827 2.534) 3.240 4.260 ( 2.180 -0.024 2.570) 3.370 4.327 ( -0.075 1.785 -1.312) 2.217 4.407 ( -1.146 2.104 0.859) 2.545 4.514 ( 1.534 -1.314 1.230) 2.365 4.577 ( 0.380 -1.165 1.284) 1.775 4.661 ( -0.099 -1.186 -0.775) 1.420 4.786 ( -10.541 -4.545 -4.233) 12.235 4.820 ( -3.692 0.654 1.342) 3.983 5.589 ( -0.312 -1.216 -1.192) 1.731 5.690 ( -2.313 0.518 -0.774) 2.493 6.733 ( 1.457 -1.378 -0.318) 2.030 6.832 ( 0.437 0.608 0.114) 0.757 6.867 ( 0.392 -0.821 0.791) 1.205 6.998 ( -0.644 0.924 0.996) 1.504 ======================= Grid point 140 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 18.563 -8.231 0.000) 20.306 0.681 ( 20.761 -7.586 0.000) 22.104 1.095 ( 31.196 -14.730 0.000) 34.498 1.640 ( 4.915 4.417 -0.000) 6.608 1.838 ( -0.034 4.740 -0.000) 4.740 2.014 ( -5.535 -3.692 0.000) 6.653 2.138 ( -8.685 1.779 -0.000) 8.865 2.228 ( -8.711 -2.520 -0.000) 9.068 2.380 ( -4.115 4.775 -0.000) 6.303 2.494 ( -2.021 -4.423 0.000) 4.863 2.569 ( -0.007 1.927 -0.000) 1.927 2.610 ( 1.977 -1.961 0.000) 2.785 2.782 ( -2.872 3.849 -0.000) 4.803 2.869 ( 3.688 0.077 0.000) 3.689 2.906 ( 4.435 -0.752 0.000) 4.499 3.058 ( -3.066 -1.960 0.000) 3.639 3.107 ( 5.527 -1.055 0.000) 5.626 3.179 ( 0.687 3.889 -0.000) 3.950 3.367 ( -2.371 -0.738 -0.000) 2.484 3.369 ( 0.005 -2.059 0.000) 2.059 3.579 ( -2.030 6.734 -0.000) 7.033 3.692 ( 4.151 1.833 0.000) 4.538 3.743 ( -4.288 -1.105 -0.000) 4.428 3.881 ( 2.473 0.219 0.000) 2.482 3.959 ( 2.365 0.104 0.000) 2.367 4.077 ( 3.397 4.783 -0.000) 5.866 4.124 ( -3.130 -0.625 -0.000) 3.192 4.237 ( -0.157 0.304 -0.000) 0.342 4.299 ( 3.736 8.566 -0.000) 9.345 4.311 ( 0.874 -0.480 0.000) 0.997 4.420 ( -0.076 -2.004 0.000) 2.005 4.494 ( 0.913 -2.874 0.000) 3.016 4.587 ( 0.826 0.049 0.000) 0.827 4.663 ( -0.378 -0.122 -0.000) 0.397 4.741 ( -10.003 -11.333 0.000) 15.116 4.857 ( -2.654 0.718 -0.000) 2.749 5.576 ( -0.574 -0.986 0.000) 1.140 5.702 ( -2.135 0.528 -0.000) 2.200 6.712 ( 1.234 -1.729 0.000) 2.124 6.829 ( 1.388 0.047 0.000) 1.389 6.870 ( -0.726 -0.321 -0.000) 0.793 7.020 ( -0.570 1.568 -0.000) 1.668 ======================= Grid point 143 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 5.568 0.000 11.969) 13.200 1.294 ( 4.710 0.000 12.760) 13.601 1.991 ( -2.429 -0.000 4.292) 4.932 2.052 ( 0.525 -0.000 -3.586) 3.624 2.122 ( 0.120 0.000 2.174) 2.178 2.179 ( -5.047 -0.000 1.344) 5.223 2.248 ( -4.250 -0.000 -1.284) 4.439 2.283 ( -3.120 -0.000 1.744) 3.574 2.489 ( 11.661 0.000 2.178) 11.863 2.544 ( -3.652 -0.000 0.745) 3.727 2.653 ( -0.445 0.000 1.084) 1.171 2.664 ( 1.940 0.000 0.068) 1.941 2.763 ( -5.767 -0.000 3.136) 6.564 2.781 ( 3.358 0.000 7.138) 7.889 2.881 ( 2.075 0.000 1.030) 2.316 2.895 ( 3.291 0.000 1.664) 3.688 3.157 ( -1.099 0.000 3.344) 3.520 3.223 ( -4.483 -0.000 -2.903) 5.341 3.342 ( 1.835 0.000 1.010) 2.094 3.409 ( -0.176 -0.000 -2.246) 2.253 3.564 ( -2.289 -0.000 -4.674) 5.205 3.582 ( -1.642 -0.000 -0.317) 1.672 3.724 ( 3.370 0.000 -4.134) 5.333 3.773 ( 2.939 0.000 1.483) 3.292 3.897 ( -0.929 0.000 3.871) 3.980 3.901 ( 1.394 0.000 0.264) 1.418 3.938 ( 4.666 0.000 -0.300) 4.675 4.144 ( -0.256 -0.000 -0.613) 0.664 4.239 ( -2.166 -0.000 1.381) 2.569 4.292 ( -1.640 -0.000 -3.242) 3.633 4.395 ( -3.702 -0.000 -2.725) 4.596 4.516 ( 2.960 0.000 2.793) 4.069 4.550 ( 2.087 0.000 -1.107) 2.362 4.699 ( 0.077 -0.000 -8.553) 8.553 4.706 ( -2.579 -0.000 -4.278) 4.995 4.742 ( -0.543 -0.000 0.854) 1.012 5.674 ( -0.202 0.000 1.406) 1.420 5.764 ( -0.775 -0.000 -0.313) 0.836 6.749 ( 0.407 0.000 1.392) 1.450 6.776 ( 0.766 0.000 -0.119) 0.775 6.850 ( -0.884 -0.000 -1.343) 1.608 6.948 ( 0.249 0.000 -0.088) 0.264 ======================= Grid point 145 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 2.552 4.275) 4.979 1.539 ( 0.000 0.409 0.385) 0.561 1.726 ( -0.000 -0.941 -7.676) 7.733 1.966 ( -0.000 -1.034 -4.896) 5.004 2.084 ( 0.000 1.998 -5.472) 5.825 2.137 ( -0.000 -1.852 -1.246) 2.232 2.224 ( -0.000 -2.413 -1.898) 3.070 2.336 ( 0.000 0.630 -0.153) 0.649 2.434 ( 0.000 6.759 -3.558) 7.638 2.543 ( -0.000 -1.831 -8.211) 8.413 2.643 ( -0.000 -3.586 2.532) 4.390 2.748 ( -0.000 -1.344 5.621) 5.779 2.759 ( 0.000 2.748 -2.831) 3.946 2.892 ( -0.000 -3.678 -1.385) 3.930 2.945 ( 0.000 1.314 -2.368) 2.708 2.952 ( 0.000 4.617 4.032) 6.130 3.214 ( -0.000 -4.782 -3.391) 5.862 3.289 ( -0.000 -4.593 3.412) 5.722 3.296 ( 0.000 1.825 2.168) 2.834 3.396 ( 0.000 0.994 1.983) 2.218 3.511 ( -0.000 -1.285 1.809) 2.219 3.644 ( 0.000 0.642 0.863) 1.076 3.698 ( 0.000 4.272 1.774) 4.626 3.758 ( -0.000 0.250 -1.966) 1.981 3.913 ( -0.000 -3.350 1.611) 3.717 3.964 ( -0.000 -1.602 4.839) 5.097 4.077 ( 0.000 2.553 3.671) 4.472 4.118 ( 0.000 0.110 -0.531) 0.542 4.220 ( 0.000 0.856 -0.516) 1.000 4.278 ( -0.000 -2.685 1.613) 3.132 4.343 ( -0.000 0.117 -4.225) 4.226 4.440 ( 0.000 3.672 -4.627) 5.906 4.456 ( 0.000 0.349 -0.509) 0.617 4.559 ( -0.000 -1.052 2.253) 2.486 4.681 ( 0.000 0.866 0.662) 1.091 4.780 ( 0.000 1.239 -0.255) 1.265 5.693 ( -0.000 -0.067 -0.385) 0.391 5.731 ( -0.000 -0.456 -1.806) 1.863 6.793 ( 0.000 0.264 1.609) 1.631 6.795 ( 0.000 0.245 0.940) 0.972 6.814 ( 0.000 0.401 -1.131) 1.200 6.951 ( -0.000 -0.806 0.604) 1.007 ======================= Grid point 146 (59/171) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 3.376 -0.062 -5.996) 6.882 1.561 ( -4.005 3.736 -1.566) 5.697 1.639 ( 2.396 -4.039 -1.987) 5.100 1.875 ( -1.347 -1.493 -4.897) 5.294 2.017 ( 1.704 3.845 -4.568) 6.209 2.089 ( -0.165 -0.959 -3.333) 3.472 2.145 ( 0.743 -3.460 -4.336) 5.597 2.268 ( -3.271 -3.907 -10.338) 11.526 2.393 ( 2.908 7.840 -2.587) 8.753 2.447 ( -4.111 4.856 -4.242) 7.647 2.681 ( 0.946 -0.441 1.484) 1.814 2.719 ( 4.734 -3.391 0.990) 5.907 2.812 ( -0.773 -2.571 1.399) 3.027 2.846 ( -2.027 -4.090 -0.545) 4.597 2.916 ( 2.137 1.932 0.229) 2.890 3.051 ( -1.489 4.473 1.466) 4.937 3.135 ( -1.003 -1.866 -1.807) 2.784 3.249 ( 3.534 -5.232 -1.436) 6.475 3.349 ( -1.151 -0.990 1.481) 2.121 3.434 ( 1.671 -0.755 2.357) 2.986 3.557 ( 0.831 0.544 3.695) 3.827 3.645 ( 2.111 -2.805 -0.581) 3.558 3.711 ( 1.318 4.342 -0.342) 4.551 3.760 ( -4.003 2.249 -0.828) 4.665 3.927 ( 0.401 -1.810 2.050) 2.764 4.013 ( -0.691 -3.550 2.074) 4.169 4.108 ( 3.078 2.925 -0.444) 4.270 4.140 ( -1.189 1.642 1.416) 2.473 4.230 ( 0.354 2.772 -0.347) 2.816 4.288 ( -0.331 -3.127 1.811) 3.629 4.316 ( 0.968 1.622 1.985) 2.740 4.427 ( -1.471 4.620 -0.566) 4.881 4.479 ( 0.817 1.352 2.626) 3.064 4.604 ( -3.676 -1.171 2.197) 4.439 4.693 ( -1.776 -0.506 0.094) 1.849 4.773 ( 0.216 -0.127 -0.947) 0.980 5.677 ( 0.250 -0.454 -1.294) 1.394 5.693 ( -0.518 -0.447 -2.277) 2.378 6.797 ( 0.833 0.150 -0.587) 1.030 6.809 ( -0.458 0.316 0.175) 0.583 6.829 ( 0.231 0.468 2.385) 2.441 6.959 ( -0.320 -1.082 0.741) 1.350 ======================= Grid point 147 (60/171) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 7.479 -1.919 -5.400) 9.422 1.484 ( 9.423 -6.109 -5.070) 12.321 1.605 ( -4.593 3.607 -2.292) 6.274 1.801 ( -1.387 2.379 -5.730) 6.357 1.916 ( -1.570 -3.750 -5.565) 6.892 2.015 ( -0.098 1.116 -5.708) 5.817 2.071 ( -4.872 -2.611 -9.214) 10.745 2.129 ( -3.047 3.639 -0.931) 4.837 2.376 ( 3.489 -0.155 -6.200) 7.116 2.430 ( -0.157 4.238 0.892) 4.334 2.624 ( 4.070 -0.859 -1.481) 4.415 2.746 ( 1.538 -2.438 2.154) 3.599 2.768 ( 0.378 -4.608 -0.602) 4.662 2.880 ( -2.454 -1.828 2.632) 4.036 2.942 ( 0.924 1.434 2.369) 2.919 3.040 ( 1.347 0.211 -0.998) 1.690 3.130 ( 2.591 -0.337 -2.314) 3.491 3.204 ( -1.533 0.315 0.217) 1.581 3.349 ( 2.756 -1.818 0.949) 3.435 3.440 ( 0.145 -0.387 -0.823) 0.921 3.568 ( 3.185 -2.510 -0.396) 4.074 3.637 ( -0.716 -0.206 2.003) 2.137 3.717 ( -0.205 2.502 -0.779) 2.628 3.804 ( -1.980 2.823 1.849) 3.913 3.938 ( 0.040 0.169 -0.395) 0.431 4.023 ( -1.110 -1.543 0.456) 1.955 4.097 ( 3.919 4.032 0.646) 5.659 4.184 ( -0.192 0.728 2.540) 2.650 4.248 ( -2.103 3.667 -0.167) 4.230 4.307 ( -0.570 -3.756 2.034) 4.309 4.360 ( 2.978 2.559 2.232) 4.516 4.467 ( -0.749 3.042 1.444) 3.450 4.542 ( 0.737 1.122 4.162) 4.373 4.664 ( -5.988 -1.012 1.250) 6.201 4.708 ( -3.837 -0.846 -0.044) 3.930 4.744 ( 0.105 -1.446 -1.624) 2.177 5.640 ( 0.389 -1.035 -2.026) 2.308 5.665 ( -1.389 0.021 -1.743) 2.228 6.782 ( 1.212 -0.248 -0.335) 1.282 6.814 ( -0.641 0.351 -0.191) 0.755 6.870 ( 0.910 0.208 2.522) 2.689 6.967 ( -0.681 -0.834 0.525) 1.198 ======================= Grid point 148 (61/171) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 12.896 -5.534 -5.057) 14.916 1.251 ( 15.830 -8.503 -5.620) 18.827 1.627 ( -0.620 5.251 -2.091) 5.686 1.729 ( 0.843 4.774 -3.499) 5.979 1.852 ( -2.231 -5.253 -2.489) 6.226 1.906 ( -5.475 -1.219 -5.636) 7.952 2.018 ( -3.800 -3.168 -1.852) 5.282 2.163 ( 3.324 2.230 -1.067) 4.143 2.208 ( -3.663 -1.193 -5.506) 6.719 2.482 ( -0.111 2.223 2.140) 3.087 2.584 ( 2.045 1.145 -1.573) 2.823 2.701 ( -0.977 -4.426 -1.863) 4.901 2.766 ( 4.376 -1.171 1.613) 4.808 2.931 ( -0.253 -0.316 2.615) 2.646 2.990 ( 2.452 0.155 2.967) 3.852 3.029 ( 0.434 -1.101 0.509) 1.289 3.074 ( 1.560 1.518 -1.376) 2.575 3.205 ( -1.633 -0.014 -1.461) 2.191 3.344 ( 2.512 0.233 0.848) 2.661 3.406 ( -0.056 1.620 -2.692) 3.142 3.530 ( 1.702 -1.926 -0.487) 2.616 3.668 ( -3.807 -2.104 0.607) 4.392 3.721 ( 2.128 2.741 0.104) 3.472 3.873 ( -0.126 2.238 3.367) 4.044 3.931 ( -0.950 1.558 -0.827) 2.003 4.031 ( -2.727 0.496 -0.543) 2.825 4.111 ( 4.871 3.604 1.221) 6.181 4.226 ( -0.037 -0.301 1.928) 1.951 4.290 ( -0.599 4.185 0.733) 4.290 4.318 ( -0.654 -3.301 1.385) 3.639 4.372 ( 2.329 2.273 0.132) 3.257 4.522 ( -0.384 1.479 3.119) 3.473 4.602 ( 0.661 -0.572 2.939) 3.066 4.672 ( -1.864 -1.866 -2.794) 3.843 4.708 ( -5.446 -2.984 -2.106) 6.558 4.756 ( -3.834 1.000 1.356) 4.189 5.602 ( 0.138 -1.223 -1.272) 1.770 5.654 ( -2.033 0.373 -1.047) 2.317 6.766 ( 1.433 -0.892 -0.148) 1.694 6.817 ( -0.723 0.724 -0.208) 1.044 6.896 ( 1.568 -0.897 1.567) 2.392 6.978 ( -1.045 0.306 0.302) 1.130 ======================= Grid point 149 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 16.481 -8.471 0.000) 18.530 1.037 ( 17.961 -8.546 0.000) 19.891 1.563 ( 12.003 -3.235 0.000) 12.432 1.726 ( 13.830 -1.487 0.000) 13.910 1.770 ( -0.498 3.041 -0.000) 3.081 1.903 ( -10.885 -1.826 -0.000) 11.037 2.026 ( -9.886 -1.860 -0.000) 10.060 2.139 ( -3.979 0.893 -0.000) 4.078 2.248 ( -7.690 3.122 -0.000) 8.299 2.510 ( -0.353 -1.074 0.000) 1.131 2.560 ( 2.370 2.750 -0.000) 3.630 2.664 ( 0.627 -3.558 0.000) 3.613 2.752 ( 2.803 0.866 0.000) 2.934 2.936 ( 5.085 0.038 0.000) 5.085 2.984 ( 5.009 -1.114 0.000) 5.131 3.027 ( -3.801 -3.072 0.000) 4.887 3.101 ( -2.849 3.878 -0.000) 4.812 3.193 ( 2.069 0.009 0.000) 2.069 3.341 ( 0.214 0.578 -0.000) 0.616 3.392 ( 0.076 0.951 -0.000) 0.954 3.511 ( 0.666 1.197 -0.000) 1.370 3.691 ( -5.344 -2.629 -0.000) 5.956 3.719 ( 3.603 3.478 -0.000) 5.007 3.910 ( 2.280 0.566 0.000) 2.349 3.946 ( -1.858 2.040 -0.000) 2.759 4.058 ( -4.080 1.912 -0.000) 4.506 4.105 ( 5.153 3.088 -0.000) 6.007 4.239 ( -0.036 -0.528 0.000) 0.529 4.306 ( 3.734 3.813 -0.000) 5.337 4.316 ( 0.539 -2.388 0.000) 2.448 4.388 ( -2.112 2.773 -0.000) 3.486 4.563 ( 1.691 -2.052 0.000) 2.659 4.613 ( 1.260 -2.335 0.000) 2.654 4.642 ( -2.243 0.522 -0.000) 2.303 4.699 ( -7.633 -4.948 0.000) 9.097 4.802 ( -3.652 1.304 -0.000) 3.878 5.584 ( -0.137 -1.312 0.000) 1.320 5.663 ( -2.372 0.625 -0.000) 2.453 6.748 ( 1.462 -1.352 0.000) 1.992 6.825 ( -0.551 1.029 -0.000) 1.167 6.890 ( 1.509 -1.591 0.000) 2.193 6.994 ( -1.030 1.187 -0.000) 1.571 ======================= Grid point 153 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.545 0.052 6.425) 7.338 1.509 ( 5.009 -1.066 7.997) 9.497 1.939 ( 3.746 0.619 -9.804) 10.513 2.029 ( 0.469 0.591 -0.417) 0.863 2.085 ( -5.885 0.736 -2.642) 6.492 2.111 ( -4.445 -1.984 -2.319) 5.391 2.236 ( -1.167 1.092 0.649) 1.725 2.273 ( -2.738 -2.713 -0.051) 3.855 2.543 ( -0.822 3.317 1.442) 3.709 2.583 ( 2.958 -3.071 0.064) 4.264 2.640 ( 1.172 4.363 0.997) 4.627 2.684 ( 1.171 -1.355 0.268) 1.811 2.796 ( -3.309 -0.542 2.049) 3.929 2.855 ( 2.391 -1.707 -2.293) 3.727 2.931 ( 2.127 2.895 1.759) 4.000 2.972 ( 2.060 -3.411 3.298) 5.172 3.159 ( -3.981 2.621 1.548) 5.012 3.213 ( -1.669 -2.950 3.360) 4.773 3.340 ( -0.991 4.645 -1.036) 4.862 3.377 ( 0.515 -1.361 -1.583) 2.150 3.494 ( -0.619 2.253 -1.149) 2.604 3.592 ( -2.379 -3.191 1.573) 4.280 3.699 ( 3.705 0.222 -1.678) 4.073 3.802 ( 2.461 -1.484 0.065) 2.875 3.900 ( -0.611 2.496 0.136) 2.573 3.959 ( 2.424 0.407 0.311) 2.478 3.968 ( -1.296 -2.192 3.811) 4.583 4.128 ( -0.638 -0.043 -0.963) 1.156 4.231 ( -0.780 1.056 -1.754) 2.191 4.249 ( -2.597 -0.736 0.743) 2.800 4.338 ( -2.339 0.524 -1.039) 2.613 4.486 ( -0.659 3.581 -3.988) 5.401 4.546 ( 0.659 -3.974 -3.920) 5.621 4.636 ( 3.954 3.475 0.227) 5.269 4.671 ( 2.750 -2.592 0.939) 3.894 4.763 ( -0.158 -1.429 0.881) 1.686 5.690 ( -0.062 -0.050 0.606) 0.611 5.751 ( -0.466 0.140 -0.708) 0.859 6.768 ( 0.071 -0.059 0.703) 0.709 6.790 ( 0.999 0.073 0.889) 1.339 6.822 ( -0.880 -0.342 -1.317) 1.621 6.950 ( 0.044 0.239 0.357) 0.432 ======================= Grid point 154 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.278 0.000 3.415) 3.426 1.567 ( 4.093 0.000 1.248) 4.279 1.744 ( 1.894 -0.000 -8.411) 8.621 1.963 ( -1.298 -0.000 -5.699) 5.845 2.054 ( -2.031 -0.000 -5.039) 5.433 2.112 ( -4.613 -0.000 -1.595) 4.881 2.252 ( 0.580 0.000 0.518) 0.778 2.284 ( -2.944 -0.000 -0.192) 2.950 2.475 ( 8.146 0.000 -3.252) 8.771 2.560 ( 0.492 -0.000 -8.961) 8.974 2.664 ( -0.335 -0.000 0.512) 0.612 2.707 ( -2.299 -0.000 2.324) 3.268 2.777 ( 0.899 0.000 1.537) 1.780 2.844 ( -6.178 -0.000 -0.431) 6.193 2.938 ( 1.770 0.000 -0.393) 1.813 2.985 ( 3.376 0.000 1.346) 3.635 3.244 ( -1.175 -0.000 -3.730) 3.910 3.250 ( -3.539 -0.000 3.738) 5.148 3.325 ( 0.306 0.000 3.309) 3.323 3.377 ( -1.499 -0.000 -0.268) 1.523 3.507 ( -1.048 -0.000 1.485) 1.817 3.632 ( -4.103 -0.000 0.664) 4.156 3.666 ( 3.262 0.000 0.778) 3.353 3.786 ( 2.841 0.000 -0.411) 2.870 3.921 ( -1.863 -0.000 1.299) 2.271 3.988 ( 1.491 0.000 4.819) 5.044 4.040 ( -2.708 -0.000 2.535) 3.710 4.114 ( -0.054 -0.000 -0.693) 0.695 4.209 ( -0.587 -0.000 -0.989) 1.150 4.285 ( -2.708 -0.000 0.973) 2.877 4.333 ( 0.251 -0.000 -1.144) 1.171 4.436 ( 2.180 0.000 -5.298) 5.728 4.445 ( -0.606 -0.000 -1.357) 1.486 4.622 ( 6.881 0.000 1.819) 7.117 4.684 ( 1.155 0.000 1.936) 2.254 4.773 ( 0.313 0.000 0.552) 0.635 5.693 ( 0.002 -0.000 -0.271) 0.271 5.733 ( 0.011 -0.000 -1.658) 1.658 6.786 ( -0.392 0.000 1.379) 1.434 6.801 ( 0.730 0.000 1.003) 1.240 6.806 ( -0.791 -0.000 -1.080) 1.339 6.959 ( 0.288 0.000 0.644) 0.705 ======================= Grid point 156 (65/171) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.000 1.650 -3.903) 4.237 1.499 ( -0.000 2.412 -3.335) 4.116 1.664 ( -0.000 -5.960 0.228) 5.964 1.817 ( -0.000 -5.064 -4.494) 6.770 1.903 ( 0.000 1.738 -7.670) 7.864 1.990 ( -0.000 3.715 -8.742) 9.499 2.055 ( 0.000 1.606 -5.957) 6.170 2.111 ( -0.000 -5.865 -6.711) 8.913 2.329 ( -0.000 5.984 0.206) 5.987 2.378 ( -0.000 4.347 -0.988) 4.458 2.688 ( -0.000 -1.408 -0.302) 1.440 2.805 ( -0.000 -3.305 -2.916) 4.408 2.827 ( -0.000 -4.872 4.753) 6.806 2.876 ( -0.000 -2.003 2.783) 3.429 2.944 ( 0.000 -0.267 2.508) 2.522 3.029 ( -0.000 3.030 -0.138) 3.033 3.118 ( -0.000 2.075 -0.176) 2.082 3.234 ( 0.000 -3.401 -4.226) 5.424 3.378 ( -0.000 -1.441 0.330) 1.478 3.447 ( -0.000 1.828 -2.242) 2.893 3.610 ( -0.000 -0.108 2.269) 2.271 3.666 ( 0.000 -4.221 -0.767) 4.290 3.687 ( -0.000 1.421 0.981) 1.726 3.754 ( -0.000 2.500 3.008) 3.911 3.946 ( -0.000 -1.613 -2.256) 2.773 4.039 ( -0.000 -2.858 -0.840) 2.978 4.065 ( 0.000 6.660 -0.099) 6.661 4.142 ( -0.000 3.963 0.567) 4.003 4.221 ( -0.000 -0.454 1.292) 1.370 4.337 ( -0.000 -3.161 1.627) 3.555 4.366 ( -0.000 1.757 3.745) 4.137 4.419 ( 0.000 3.012 2.224) 3.744 4.543 ( -0.000 0.681 4.555) 4.605 4.626 ( -0.000 -0.913 1.591) 1.834 4.686 ( -0.000 -0.239 -0.550) 0.600 4.758 ( -0.000 -0.647 -1.265) 1.421 5.652 ( -0.000 -0.359 -2.383) 2.410 5.656 ( 0.000 -0.289 -1.628) 1.654 6.791 ( -0.000 0.117 -0.238) 0.266 6.808 ( -0.000 -0.048 -0.121) 0.130 6.873 ( -0.000 0.248 2.812) 2.823 6.972 ( -0.000 -0.627 0.313) 0.701 ======================= Grid point 158 (66/171) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 6.944 -0.055 -0.762) 6.986 1.466 ( -1.427 4.705 -3.232) 5.884 1.567 ( 8.629 -8.505 -3.273) 12.551 1.724 ( -2.689 -2.400 -1.623) 3.953 1.776 ( -5.627 -0.694 -7.482) 9.387 1.894 ( -0.940 0.571 -6.058) 6.157 1.999 ( 0.583 -1.118 -1.092) 1.668 2.061 ( -5.822 2.608 -1.047) 6.464 2.330 ( 6.676 2.337 -1.917) 7.328 2.410 ( -4.114 5.280 0.548) 6.716 2.650 ( 4.205 -4.466 -0.445) 6.150 2.730 ( -1.684 -5.047 -2.661) 5.949 2.861 ( 4.135 -3.699 3.442) 6.529 2.931 ( 0.187 -0.961 2.943) 3.102 2.976 ( -2.733 -1.963 2.424) 4.147 3.059 ( 0.878 0.998 2.428) 2.768 3.101 ( 2.809 1.245 -2.794) 4.153 3.172 ( -0.889 0.674 -2.354) 2.605 3.358 ( 0.197 1.242 -1.703) 2.116 3.394 ( 0.707 2.272 -3.602) 4.317 3.605 ( 2.900 -3.991 0.015) 4.934 3.647 ( -2.867 -2.696 0.108) 3.937 3.728 ( 1.612 1.056 2.511) 3.165 3.817 ( -1.812 2.440 1.488) 3.384 3.912 ( -0.184 1.016 -0.296) 1.074 4.004 ( -1.331 -1.041 -2.329) 2.877 4.113 ( 3.121 5.916 1.588) 6.874 4.186 ( -3.277 6.067 0.151) 6.897 4.250 ( 0.596 -1.646 2.856) 3.350 4.333 ( -0.886 -2.799 -0.486) 2.976 4.415 ( 3.627 0.840 2.173) 4.311 4.475 ( -2.411 2.343 1.786) 3.806 4.611 ( 0.883 0.535 3.208) 3.370 4.648 ( -2.478 -1.875 0.159) 3.112 4.689 ( -1.930 0.428 0.108) 1.980 4.726 ( -0.333 -1.231 -1.541) 2.000 5.617 ( 0.276 -0.603 -1.284) 1.445 5.631 ( -0.951 -0.113 -1.358) 1.662 6.788 ( 0.711 -0.182 0.081) 0.738 6.804 ( -0.421 0.075 -0.362) 0.561 6.917 ( 0.539 -0.053 2.332) 2.394 6.969 ( -0.341 -0.479 -0.410) 0.717 ======================= Grid point 159 (67/171) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 13.082 -4.784 0.000) 13.930 1.352 ( 15.572 -5.787 0.000) 16.612 1.563 ( -7.904 4.374 -0.000) 9.033 1.688 ( 6.174 3.399 -0.000) 7.048 1.779 ( -12.090 -1.818 -0.000) 12.226 1.841 ( -4.352 -4.012 0.000) 5.919 2.012 ( -2.605 0.815 -0.000) 2.730 2.111 ( -7.876 1.748 -0.000) 8.067 2.225 ( 14.236 -3.283 0.000) 14.610 2.476 ( -3.383 4.219 -0.000) 5.408 2.589 ( 4.152 -2.468 0.000) 4.830 2.697 ( -2.332 -4.529 0.000) 5.094 2.832 ( 6.430 -2.720 0.000) 6.981 2.958 ( -0.430 0.600 -0.000) 0.738 3.027 ( -2.947 -1.959 0.000) 3.539 3.044 ( 1.009 -1.098 0.000) 1.491 3.075 ( 5.125 0.726 0.000) 5.177 3.164 ( -2.617 1.981 -0.000) 3.283 3.344 ( 2.396 5.369 -0.000) 5.879 3.376 ( -0.120 -0.363 0.000) 0.382 3.562 ( 2.212 -4.622 0.000) 5.124 3.656 ( -4.241 -3.050 0.000) 5.224 3.736 ( 3.713 1.643 0.000) 4.061 3.865 ( -3.692 4.350 -0.000) 5.705 3.932 ( 1.135 0.094 0.000) 1.138 3.986 ( -3.901 0.232 -0.000) 3.908 4.130 ( 4.967 5.580 -0.000) 7.471 4.244 ( -1.751 3.992 -0.000) 4.359 4.270 ( -0.280 -0.246 0.000) 0.373 4.321 ( -2.729 -1.642 0.000) 3.185 4.402 ( 5.220 -0.055 0.000) 5.220 4.533 ( -3.553 2.757 -0.000) 4.497 4.632 ( -0.072 -1.269 0.000) 1.271 4.656 ( -0.559 -1.250 0.000) 1.370 4.673 ( -1.234 -2.729 0.000) 2.995 4.737 ( -3.487 1.002 -0.000) 3.628 5.599 ( 0.312 -0.987 0.000) 1.035 5.629 ( -1.763 0.280 -0.000) 1.785 6.779 ( 1.221 -0.751 0.000) 1.434 6.807 ( -0.703 0.551 -0.000) 0.893 6.929 ( 1.549 -1.159 0.000) 1.934 6.968 ( -1.138 0.551 -0.000) 1.265 ======================= Grid point 164 (68/171) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.646 3.577 -0.938) 3.754 1.618 ( 1.175 2.503 1.422) 3.109 1.791 ( 5.512 -1.212 -10.853) 12.233 1.967 ( -0.244 -4.486 -5.166) 6.847 2.039 ( -0.572 -0.918 -1.959) 2.238 2.053 ( -4.534 -2.223 -1.640) 5.309 2.227 ( 0.725 2.570 -0.174) 2.676 2.300 ( -0.468 -2.582 2.093) 3.356 2.508 ( -0.881 3.316 -3.012) 4.566 2.573 ( -0.019 0.718 -2.278) 2.389 2.661 ( 3.461 1.880 0.540) 3.975 2.713 ( 1.246 0.237 -4.549) 4.722 2.744 ( -3.524 -0.878 0.865) 3.734 2.829 ( -0.933 -4.652 -1.812) 5.079 2.934 ( 1.842 4.480 -0.028) 4.843 3.042 ( 0.954 -3.663 1.497) 4.071 3.141 ( -4.812 4.597 0.846) 6.708 3.253 ( -0.488 -1.084 -2.188) 2.490 3.295 ( -4.152 2.269 1.670) 5.017 3.353 ( -1.700 -1.282 -0.688) 2.238 3.494 ( 0.577 1.469 2.571) 3.017 3.601 ( -2.679 -2.547 -1.002) 3.830 3.709 ( 2.371 -0.251 0.031) 2.384 3.838 ( 2.569 -2.597 -0.226) 3.660 3.879 ( -1.447 2.171 1.225) 2.883 3.984 ( -1.124 1.065 2.105) 2.613 4.018 ( -2.665 -1.947 2.328) 4.039 4.116 ( 0.007 -0.132 0.162) 0.210 4.208 ( -0.504 -0.005 0.184) 0.537 4.246 ( -2.152 -1.584 0.691) 2.759 4.330 ( 1.982 3.126 1.033) 3.843 4.429 ( -0.222 0.231 -0.666) 0.739 4.494 ( 0.373 -4.180 -3.835) 5.685 4.678 ( 2.158 1.927 2.485) 3.814 4.735 ( 4.863 -0.683 1.518) 5.140 4.795 ( 3.679 0.541 1.642) 4.065 5.693 ( 0.128 0.336 -0.312) 0.476 5.733 ( 0.152 0.007 -1.194) 1.203 6.780 ( -0.527 0.216 0.698) 0.901 6.794 ( -0.761 -0.058 -0.437) 0.880 6.817 ( 1.002 -0.593 0.520) 1.275 6.958 ( -0.001 0.471 0.739) 0.876 ======================= Grid point 165 (69/171) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -1.866 6.098 -3.868) 7.458 1.554 ( 4.916 -6.656 -6.732) 10.667 1.657 ( -2.590 4.845 -2.107) 5.884 1.846 ( -3.992 -3.441 -7.106) 8.847 1.979 ( 1.142 -1.312 -3.299) 3.730 2.058 ( -4.017 -0.879 -1.102) 4.257 2.212 ( 2.437 6.019 -4.049) 7.652 2.287 ( 1.048 -6.737 -3.666) 7.741 2.381 ( 4.057 3.023 -7.829) 9.322 2.482 ( 7.246 -1.703 -3.737) 8.329 2.641 ( -4.517 0.552 -2.013) 4.976 2.704 ( -4.212 2.223 1.638) 5.036 2.816 ( -3.312 -1.268 2.150) 4.147 2.832 ( -1.110 -0.513 1.805) 2.180 2.940 ( 2.887 2.953 1.058) 4.263 3.033 ( 0.758 -2.435 0.008) 2.551 3.158 ( 0.090 0.935 -3.647) 3.766 3.234 ( -5.582 1.888 -2.130) 6.266 3.350 ( -4.158 1.599 0.573) 4.492 3.378 ( -3.151 -2.901 2.418) 4.918 3.550 ( 0.198 0.317 3.592) 3.611 3.597 ( -4.266 -0.639 -0.704) 4.370 3.705 ( 1.893 0.474 1.496) 2.459 3.785 ( 2.486 -1.771 -2.036) 3.669 3.940 ( -1.458 1.554 2.622) 3.378 4.013 ( -3.673 -1.143 -2.230) 4.447 4.069 ( 0.437 1.236 2.910) 3.192 4.125 ( -0.013 -1.418 1.339) 1.950 4.212 ( 1.006 -0.875 0.771) 1.540 4.275 ( -1.925 -0.424 1.701) 2.604 4.354 ( 2.581 3.507 1.505) 4.607 4.410 ( 2.308 -3.423 -0.621) 4.175 4.454 ( -0.808 -0.666 2.736) 2.929 4.699 ( 6.462 1.687 1.847) 6.929 4.721 ( 2.199 -1.281 0.775) 2.660 4.788 ( 3.203 0.471 0.015) 3.237 5.682 ( 0.218 0.420 -1.029) 1.132 5.702 ( 0.530 -0.115 -2.122) 2.190 6.785 ( -0.978 0.163 -0.577) 1.147 6.808 ( -0.060 -0.273 0.986) 1.025 6.823 ( 0.055 -0.100 1.530) 1.534 6.971 ( 0.283 0.286 0.656) 0.770 ======================= Grid point 166 (70/171) ======================= q-point: (-0.60 -0.50 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 2.483 0.000 -5.317) 5.868 1.466 ( -2.691 0.000 -3.375) 4.316 1.665 ( -4.639 0.000 -1.792) 4.973 1.760 ( -9.714 -0.000 -7.623) 12.348 1.923 ( 2.766 -0.000 -1.162) 3.000 2.013 ( 5.407 0.000 -7.258) 9.050 2.100 ( 6.262 0.000 -7.352) 9.658 2.108 ( -3.235 0.000 -6.784) 7.516 2.331 ( 4.044 0.000 1.077) 4.185 2.385 ( 4.836 -0.000 -2.227) 5.325 2.665 ( -4.244 0.000 0.354) 4.259 2.786 ( -7.381 0.000 1.041) 7.454 2.834 ( -0.377 0.000 0.079) 0.385 2.868 ( -2.034 -0.000 2.503) 3.225 2.980 ( 2.908 0.000 3.596) 4.624 3.013 ( -0.205 0.000 -0.487) 0.528 3.106 ( 0.733 -0.000 -1.728) 1.877 3.212 ( -6.253 0.000 -5.347) 8.228 3.390 ( -0.516 -0.000 0.374) 0.637 3.406 ( -3.090 0.000 -1.531) 3.449 3.607 ( -0.445 0.000 2.750) 2.785 3.632 ( -4.078 0.000 1.432) 4.322 3.731 ( 2.367 0.000 -1.238) 2.671 3.742 ( 0.828 0.000 3.475) 3.572 3.955 ( -1.414 0.000 -4.844) 5.046 3.997 ( -1.506 0.000 1.924) 2.444 4.089 ( 2.485 -0.000 -0.063) 2.486 4.133 ( 2.621 0.000 0.786) 2.736 4.218 ( -0.544 0.000 1.402) 1.504 4.328 ( -1.953 0.000 2.673) 3.310 4.384 ( 1.498 0.000 1.863) 2.391 4.406 ( 1.279 -0.000 2.778) 3.059 4.528 ( -0.952 0.000 4.713) 4.808 4.681 ( 6.255 0.000 1.360) 6.401 4.708 ( 2.452 0.000 -0.646) 2.535 4.764 ( 0.878 0.000 -1.143) 1.441 5.658 ( 0.584 0.000 -2.333) 2.405 5.660 ( 0.360 0.000 -1.527) 1.569 6.785 ( -0.669 0.000 -0.131) 0.682 6.810 ( 0.259 0.000 -0.147) 0.298 6.867 ( -0.611 0.000 2.835) 2.900 6.978 ( 0.223 0.000 0.175) 0.284 ======================= Grid point 169 (71/171) ======================= q-point: (-0.40 -0.50 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 2.471 -2.831) 3.758 1.370 ( -0.000 2.471 2.831) 3.758 1.648 ( 0.000 -6.023 -0.000) 6.023 1.648 ( -0.000 -6.023 0.000) 6.023 1.782 ( 0.000 0.434 -3.746) 3.771 1.782 ( -0.000 0.434 3.746) 3.771 2.010 ( 0.000 0.468 -0.451) 0.650 2.010 ( -0.000 0.468 0.451) 0.650 2.345 ( 0.000 4.338 -0.130) 4.340 2.345 ( -0.000 4.338 0.130) 4.340 2.709 ( 0.000 -4.438 -1.760) 4.774 2.709 ( -0.000 -4.438 1.760) 4.774 2.950 ( 0.000 -4.114 -1.450) 4.362 2.950 ( -0.000 -4.114 1.450) 4.362 3.043 ( 0.000 0.107 -4.206) 4.207 3.043 ( -0.000 0.107 4.206) 4.207 3.114 ( 0.000 0.954 -3.404) 3.535 3.114 ( -0.000 0.954 3.404) 3.535 3.326 ( 0.000 3.921 -0.251) 3.929 3.326 ( -0.000 3.921 0.251) 3.929 3.646 ( 0.000 -3.143 -0.264) 3.154 3.646 ( -0.000 -3.143 0.264) 3.154 3.781 ( 0.000 0.782 -2.558) 2.675 3.781 ( -0.000 0.782 2.558) 2.675 3.949 ( 0.000 -0.423 -3.822) 3.845 3.949 ( 0.000 -0.423 3.822) 3.845 4.122 ( 0.000 5.483 -1.135) 5.600 4.122 ( -0.000 5.483 1.135) 5.600 4.314 ( -0.000 -1.905 -2.659) 3.271 4.314 ( -0.000 -1.905 2.659) 3.271 4.457 ( 0.000 1.075 -0.680) 1.273 4.457 ( -0.000 1.075 0.680) 1.273 4.646 ( 0.000 -0.248 -1.089) 1.116 4.646 ( -0.000 -0.248 1.089) 1.116 4.699 ( 0.000 -0.441 -1.838) 1.890 4.699 ( -0.000 -0.441 1.838) 1.890 5.612 ( 0.000 -0.230 -0.311) 0.387 5.612 ( -0.000 -0.230 0.311) 0.387 6.796 ( 0.000 -0.064 -0.388) 0.393 6.796 ( -0.000 -0.064 0.388) 0.393 6.953 ( 0.000 -0.196 -1.571) 1.583 6.953 ( 0.000 -0.196 1.571) 1.583 ======================= Grid point 176 (72/171) ======================= q-point: ( 0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -4.037 8.219 -6.936) 11.488 1.498 ( -5.899 10.260 -7.813) 14.181 1.699 ( 3.574 -6.393 -7.319) 10.355 1.891 ( -2.185 -8.000 -8.570) 11.925 2.006 ( 1.748 -0.603 -2.308) 2.957 2.064 ( 0.939 -5.017 0.418) 5.122 2.207 ( 4.556 3.876 -2.247) 6.390 2.343 ( -0.121 2.315 2.172) 3.177 2.399 ( 3.493 -1.110 -8.148) 8.935 2.517 ( 0.506 4.636 -6.008) 7.605 2.577 ( -3.319 -1.182 -2.538) 4.343 2.685 ( 1.544 -0.624 0.034) 1.666 2.785 ( -1.728 1.455 2.586) 3.434 2.822 ( -2.573 -2.429 -1.128) 3.714 2.913 ( -0.444 5.044 0.074) 5.064 3.026 ( -4.622 0.406 -0.931) 4.732 3.112 ( -1.150 -1.032 -2.168) 2.663 3.218 ( -2.171 -0.760 0.718) 2.410 3.249 ( -2.426 1.645 -0.290) 2.946 3.383 ( -3.187 -4.774 1.891) 6.044 3.550 ( 0.337 0.220 0.562) 0.691 3.571 ( -1.653 -1.992 1.069) 2.801 3.721 ( 0.944 -0.010 -0.141) 0.955 3.846 ( 1.872 -2.530 -1.909) 3.681 3.903 ( -1.664 1.338 3.110) 3.772 3.973 ( -3.159 -0.550 -0.585) 3.260 4.047 ( -1.611 1.147 2.373) 3.090 4.130 ( -0.778 -0.430 1.447) 1.698 4.235 ( -0.276 -1.023 2.280) 2.515 4.279 ( 0.754 -2.146 2.161) 3.137 4.346 ( 2.827 3.804 1.323) 4.921 4.450 ( 0.103 -1.518 1.219) 1.949 4.485 ( 1.069 -2.961 0.545) 3.195 4.701 ( -2.426 -0.323 1.014) 2.649 4.791 ( 6.472 3.086 1.327) 7.292 4.863 ( 8.028 0.688 1.745) 8.245 5.675 ( 0.227 1.251 -1.326) 1.837 5.717 ( 1.071 -0.639 -1.299) 1.801 6.767 ( -0.943 0.524 -0.511) 1.194 6.804 ( -1.046 -0.253 1.473) 1.825 6.835 ( 1.238 -0.358 0.335) 1.331 6.968 ( -0.184 0.427 0.767) 0.897 ======================= Grid point 177 (73/171) ======================= q-point: ( 0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -3.930 9.203 -6.377) 11.866 1.447 ( -5.853 5.922 -8.211) 11.694 1.565 ( -3.143 -4.125 -4.302) 6.738 1.712 ( -3.916 -7.947 -8.679) 12.403 1.959 ( 1.146 1.003 -1.972) 2.491 2.036 ( -0.050 -2.798 -1.300) 3.086 2.135 ( 7.006 3.070 -4.005) 8.634 2.204 ( 8.113 -0.103 -7.348) 10.946 2.386 ( 1.805 0.220 0.557) 1.902 2.421 ( 0.991 3.883 -4.704) 6.180 2.583 ( -2.977 0.715 -0.076) 3.063 2.701 ( -5.234 -2.673 1.306) 6.020 2.805 ( -1.707 3.250 -1.732) 4.060 2.854 ( -2.767 -2.021 2.075) 4.006 2.951 ( -1.727 3.147 0.765) 3.671 3.028 ( 1.181 -1.077 0.692) 1.741 3.083 ( -6.232 1.137 -4.056) 7.522 3.190 ( 1.688 -5.733 -1.185) 6.092 3.313 ( -5.644 3.367 0.878) 6.630 3.397 ( -2.910 -3.520 -0.009) 4.567 3.561 ( -2.984 2.022 0.701) 3.672 3.618 ( -0.414 -1.469 2.853) 3.235 3.726 ( 0.587 1.515 0.548) 1.715 3.796 ( 1.734 -3.136 0.066) 3.584 3.939 ( -0.450 -0.185 -1.855) 1.918 3.982 ( -3.041 -1.312 1.281) 3.551 4.094 ( 1.015 2.156 1.496) 2.814 4.163 ( -0.978 -1.533 2.474) 3.071 4.245 ( 2.530 -1.823 0.483) 3.156 4.313 ( -0.719 -0.166 2.514) 2.620 4.373 ( 1.916 3.348 1.323) 4.078 4.446 ( 0.522 -2.293 1.578) 2.832 4.529 ( 0.494 -0.883 4.866) 4.970 4.721 ( -0.979 -0.209 -0.004) 1.002 4.772 ( 6.929 1.633 0.391) 7.130 4.814 ( 7.693 0.198 -1.065) 7.769 5.654 ( 0.474 1.370 -1.756) 2.277 5.679 ( 1.286 -0.805 -1.626) 2.224 6.772 ( -0.894 0.457 -0.044) 1.005 6.818 ( 0.614 -0.302 -0.180) 0.707 6.856 ( -1.074 -0.002 2.507) 2.727 6.978 ( 0.031 0.163 0.140) 0.218 ======================= Grid point 178 (74/171) ======================= q-point: ( 0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -3.245 6.133 -2.728) 7.456 1.391 ( -4.178 -1.532 -4.609) 6.407 1.529 ( -9.610 2.724 -4.291) 10.871 1.595 ( -8.047 -6.354 -4.928) 11.376 1.927 ( 3.704 3.901 -2.397) 5.889 1.964 ( 7.508 -1.033 -1.729) 7.774 2.045 ( 4.698 -0.295 -1.816) 5.045 2.074 ( 6.209 -2.266 -2.340) 7.011 2.337 ( 2.571 6.656 -2.531) 7.571 2.402 ( 3.462 -4.901 0.537) 6.024 2.632 ( -5.646 4.503 0.601) 7.247 2.729 ( -5.480 -2.490 -1.667) 6.246 2.839 ( -4.596 3.554 2.104) 6.179 2.890 ( -4.716 -2.944 1.814) 5.848 2.999 ( -2.149 1.649 0.175) 2.714 3.024 ( -2.544 -2.315 -0.055) 3.440 3.070 ( 0.072 1.753 -1.708) 2.449 3.126 ( -1.625 -4.379 -1.411) 4.879 3.350 ( -1.365 2.605 -1.833) 3.466 3.380 ( 0.322 -1.839 -1.274) 2.260 3.619 ( -2.386 3.639 1.270) 4.533 3.652 ( -1.431 -1.955 1.666) 2.940 3.731 ( 0.669 1.322 0.287) 1.510 3.792 ( -0.486 -3.312 0.569) 3.395 3.912 ( 0.460 -0.030 0.643) 0.791 3.999 ( -1.201 -1.017 -0.948) 1.837 4.107 ( 3.155 2.503 0.725) 4.092 4.172 ( 3.159 -3.911 -0.136) 5.029 4.252 ( -0.447 0.339 3.157) 3.206 4.341 ( -0.748 -0.236 -0.308) 0.843 4.412 ( 0.077 3.582 1.942) 4.075 4.465 ( 0.644 -3.126 2.082) 3.810 4.603 ( 0.537 0.036 4.222) 4.256 4.705 ( 2.308 0.238 -1.507) 2.767 4.736 ( 5.404 0.222 -0.150) 5.411 4.751 ( 3.155 0.295 -1.302) 3.426 5.629 ( 0.789 0.938 -1.248) 1.750 5.642 ( 1.087 -0.664 -1.255) 1.788 6.782 ( -0.597 0.363 0.359) 0.785 6.805 ( 0.237 -0.267 -0.579) 0.680 6.909 ( -0.906 0.198 2.637) 2.796 6.973 ( -0.095 -0.084 -0.802) 0.812 ======================= Grid point 179 (75/171) ======================= q-point: ( 0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -2.774 -4.322 0.000) 5.136 1.337 ( -2.774 4.322 -0.000) 5.136 1.582 ( -9.787 -5.357 0.000) 11.158 1.582 ( -9.787 5.357 -0.000) 11.158 1.883 ( 9.002 -4.161 0.000) 9.917 1.883 ( 9.002 4.161 0.000) 9.917 2.011 ( 1.758 -4.234 0.000) 4.584 2.011 ( 1.758 4.234 -0.000) 4.584 2.342 ( 3.101 -6.530 0.000) 7.230 2.342 ( 3.101 6.530 -0.000) 7.230 2.711 ( -3.761 -3.295 0.000) 5.001 2.711 ( -3.761 3.295 -0.000) 5.001 2.948 ( -7.402 -5.127 0.000) 9.004 2.948 ( -7.402 5.127 -0.000) 9.004 2.997 ( -1.348 -1.951 0.000) 2.371 2.997 ( -1.348 1.951 -0.000) 2.371 3.100 ( -1.122 -0.818 0.000) 1.388 3.100 ( -1.122 0.818 0.000) 1.388 3.333 ( 3.134 -3.358 0.000) 4.594 3.333 ( 3.134 3.358 -0.000) 4.594 3.659 ( -0.788 -2.695 0.000) 2.807 3.659 ( -0.788 2.695 -0.000) 2.807 3.766 ( -1.392 -2.532 0.000) 2.889 3.766 ( -1.392 2.532 -0.000) 2.889 3.955 ( 0.339 -0.718 0.000) 0.794 3.955 ( 0.339 0.718 0.000) 0.794 4.115 ( 3.385 -3.836 0.000) 5.116 4.115 ( 3.385 3.836 -0.000) 5.116 4.316 ( -1.082 -0.570 0.000) 1.222 4.316 ( -1.082 0.570 0.000) 1.222 4.456 ( 0.487 -3.383 0.000) 3.418 4.456 ( 0.487 3.383 -0.000) 3.418 4.655 ( 1.296 -0.285 0.000) 1.327 4.655 ( 1.296 0.285 0.000) 1.327 4.718 ( 2.288 -0.659 0.000) 2.381 4.718 ( 2.288 0.659 0.000) 2.381 5.619 ( 0.729 -0.549 0.000) 0.913 5.619 ( 0.729 0.549 0.000) 0.913 6.794 ( -0.203 -0.349 0.000) 0.403 6.794 ( -0.203 0.349 -0.000) 0.403 6.952 ( -0.319 -0.274 0.000) 0.421 6.952 ( -0.319 0.274 0.000) 0.421 ======================= Grid point 188 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.912 11.775 -8.711) 16.196 1.216 ( -8.252 12.483 -11.777) 19.043 1.628 ( -1.245 -7.463 -7.144) 10.406 1.747 ( -5.002 -4.214 -10.457) 12.334 1.882 ( -5.368 6.069 -9.713) 12.649 2.097 ( 5.746 0.183 -0.888) 5.817 2.203 ( 5.268 -0.419 -0.571) 5.316 2.294 ( 6.497 3.322 -4.586) 8.618 2.357 ( 3.118 -0.870 -2.738) 4.240 2.453 ( 2.814 -1.553 0.641) 3.278 2.562 ( -2.037 -0.036 0.335) 2.065 2.678 ( -4.189 -0.193 -0.598) 4.236 2.748 ( -0.699 -0.684 -2.083) 2.301 2.823 ( -3.389 -1.303 0.885) 3.737 2.902 ( -1.487 3.260 2.499) 4.369 3.003 ( -3.781 -0.942 -0.219) 3.903 3.064 ( -0.872 -2.271 -0.934) 2.605 3.192 ( -2.200 3.128 -0.196) 3.829 3.296 ( 1.042 -5.157 1.858) 5.579 3.400 ( -3.213 -4.842 -0.437) 5.827 3.514 ( -1.752 -0.003 -1.339) 2.206 3.631 ( -0.781 -2.453 2.632) 3.681 3.720 ( -0.161 0.159 -0.274) 0.355 3.835 ( 0.728 -0.625 -0.763) 1.226 3.920 ( -3.439 0.580 1.295) 3.720 3.968 ( -0.379 -1.322 0.763) 1.572 4.071 ( -1.509 1.100 2.736) 3.313 4.159 ( -1.356 -0.770 2.261) 2.746 4.265 ( 0.017 0.693 1.150) 1.343 4.334 ( 2.477 -0.967 1.351) 2.982 4.373 ( 1.926 1.708 1.857) 3.174 4.466 ( -0.421 -1.635 0.557) 1.778 4.552 ( 1.155 -0.525 3.749) 3.958 4.691 ( -2.624 0.838 0.149) 2.758 4.829 ( 5.045 2.362 0.408) 5.586 4.943 ( 10.593 0.450 0.406) 10.610 5.643 ( 0.488 1.698 -1.606) 2.388 5.710 ( 1.703 -0.959 -1.264) 2.327 6.753 ( -0.527 1.102 -0.052) 1.223 6.820 ( -1.041 0.230 1.172) 1.585 6.851 ( 0.838 -0.439 0.523) 1.080 6.975 ( -0.725 -0.216 0.421) 0.866 ======================= Grid point 189 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -7.791 11.988 -6.243) 15.601 1.183 ( -11.279 12.877 -7.092) 18.529 1.497 ( -5.712 -8.886 -5.075) 11.719 1.619 ( -4.245 -9.065 -4.273) 10.884 1.871 ( -7.163 10.674 -3.014) 13.204 2.041 ( 6.922 2.603 -1.374) 7.522 2.139 ( 7.213 -1.283 -1.152) 7.416 2.172 ( 8.665 1.443 -3.420) 9.427 2.296 ( 4.370 3.192 -2.779) 6.083 2.465 ( 1.372 -1.756 2.928) 3.680 2.560 ( -0.524 -0.068 -1.564) 1.651 2.700 ( -4.641 -2.940 0.525) 5.520 2.735 ( -3.937 2.312 -1.449) 4.790 2.851 ( -6.196 -2.462 -0.122) 6.668 2.972 ( -2.242 1.149 2.109) 3.285 2.999 ( -3.062 -3.642 0.601) 4.795 3.062 ( 1.547 -0.924 0.364) 1.838 3.190 ( -0.446 -2.616 -2.623) 3.732 3.276 ( -2.901 -0.318 -0.662) 2.993 3.396 ( -0.682 -1.519 0.180) 1.675 3.543 ( -2.921 2.835 0.890) 4.167 3.654 ( -1.357 -2.015 0.797) 2.557 3.721 ( -0.571 0.404 -0.177) 0.722 3.842 ( 0.348 -2.975 2.333) 3.797 3.920 ( 0.121 -1.571 -0.763) 1.751 3.983 ( -3.058 -1.314 -0.014) 3.329 4.118 ( 1.990 1.959 1.527) 3.183 4.204 ( -2.122 -1.445 2.162) 3.356 4.276 ( 1.890 0.559 0.426) 2.016 4.338 ( 0.530 0.136 0.880) 1.036 4.386 ( 2.132 1.787 0.305) 2.798 4.497 ( -1.071 -2.305 2.844) 3.814 4.611 ( 1.146 0.873 3.861) 4.121 4.705 ( -0.100 2.197 -0.653) 2.294 4.799 ( 4.678 0.080 -0.814) 4.749 4.848 ( 10.126 0.077 -2.242) 10.371 5.624 ( 0.784 1.689 -1.130) 2.179 5.672 ( 1.798 -1.017 -1.000) 2.295 6.765 ( -0.410 1.236 0.305) 1.337 6.818 ( 0.705 -0.633 -0.505) 1.074 6.886 ( -1.502 0.762 2.143) 2.725 6.975 ( -0.476 -0.881 -0.460) 1.102 ======================= Grid point 190 (78/171) ======================= q-point: ( 0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -8.523 10.996 -0.000) 13.913 1.261 ( -9.444 8.963 -0.000) 13.020 1.459 ( -8.919 -7.181 0.000) 11.451 1.554 ( -4.613 -10.242 0.000) 11.233 1.909 ( 4.802 5.590 -0.000) 7.370 2.006 ( 5.297 0.900 0.000) 5.373 2.081 ( 7.276 0.472 0.000) 7.292 2.095 ( 4.440 -0.310 0.000) 4.451 2.269 ( 3.124 8.941 -0.000) 9.471 2.465 ( 3.071 -4.991 0.000) 5.860 2.565 ( -4.768 4.175 -0.000) 6.337 2.706 ( -3.597 -3.812 0.000) 5.241 2.786 ( -6.708 4.246 -0.000) 7.939 2.884 ( -8.212 -3.823 -0.000) 9.058 3.001 ( -3.828 -4.289 0.000) 5.749 3.008 ( 1.066 -2.737 0.000) 2.937 3.052 ( -1.137 2.778 -0.000) 3.002 3.139 ( 0.874 -4.460 0.000) 4.545 3.301 ( -2.120 4.000 -0.000) 4.528 3.387 ( 0.806 -1.598 0.000) 1.790 3.592 ( -2.242 4.377 -0.000) 4.918 3.663 ( -2.147 -1.528 0.000) 2.635 3.726 ( -0.254 1.004 -0.000) 1.035 3.823 ( 0.906 -6.546 0.000) 6.608 3.931 ( -0.601 1.776 -0.000) 1.875 3.981 ( -1.656 -2.491 0.000) 2.991 4.121 ( 3.738 2.955 -0.000) 4.765 4.211 ( 0.836 -4.458 0.000) 4.536 4.287 ( 0.474 2.183 -0.000) 2.234 4.330 ( 0.706 -1.804 0.000) 1.937 4.402 ( -0.333 4.506 -0.000) 4.518 4.511 ( -0.358 -4.509 0.000) 4.523 4.656 ( 1.516 2.189 -0.000) 2.662 4.696 ( 2.406 0.819 0.000) 2.541 4.746 ( 5.119 0.825 0.000) 5.185 4.779 ( 5.113 -0.733 0.000) 5.165 5.617 ( 0.860 1.457 -0.000) 1.692 5.645 ( 1.676 -0.996 0.000) 1.949 6.779 ( -0.383 1.267 -0.000) 1.324 6.804 ( 0.298 -0.963 0.000) 1.008 6.926 ( -1.247 1.599 -0.000) 2.028 6.962 ( -0.346 -1.530 0.000) 1.568 ======================= Grid point 199 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -8.745 14.904 -8.591) 19.298 0.869 ( -10.466 15.095 -11.174) 21.500 1.400 ( -15.351 21.879 -11.200) 28.979 1.550 ( -3.861 -8.195 -6.809) 11.333 1.742 ( -2.075 -7.823 -4.155) 9.098 2.119 ( 4.385 4.495 0.864) 6.339 2.213 ( 6.315 1.900 -2.553) 7.071 2.297 ( 7.747 -2.974 -0.527) 8.315 2.367 ( 4.875 -1.310 -1.651) 5.311 2.512 ( 2.940 -0.589 2.432) 3.860 2.562 ( 0.531 -0.527 0.487) 0.893 2.633 ( -5.152 0.613 -0.149) 5.191 2.743 ( 2.062 -3.787 -1.460) 4.552 2.806 ( -2.883 -2.438 -0.648) 3.830 2.908 ( -2.540 2.148 1.586) 3.685 3.012 ( -3.310 -3.437 1.854) 5.120 3.055 ( -6.506 -0.156 0.564) 6.533 3.180 ( 4.338 1.497 -0.022) 4.589 3.337 ( 0.987 -6.339 -1.443) 6.575 3.393 ( -1.367 -1.027 -0.172) 1.718 3.494 ( -2.888 -2.519 0.161) 3.835 3.656 ( -1.790 -1.635 -0.033) 2.424 3.712 ( -1.497 -1.876 -0.099) 2.403 3.856 ( 0.141 0.118 2.397) 2.404 3.914 ( -3.746 -1.077 0.959) 4.014 3.974 ( -1.203 -0.719 -0.499) 1.488 4.104 ( -1.222 0.694 2.478) 2.848 4.186 ( -1.887 -0.909 1.483) 2.566 4.275 ( 1.790 1.720 0.449) 2.523 4.354 ( 2.197 1.572 -0.401) 2.731 4.415 ( 1.827 -0.492 1.634) 2.500 4.485 ( -2.707 -0.646 1.803) 3.316 4.608 ( 1.059 2.825 2.362) 3.832 4.667 ( -1.044 2.108 -0.089) 2.354 4.852 ( 2.722 -0.396 0.052) 2.752 5.007 ( 13.674 1.020 -2.140) 13.878 5.614 ( 0.649 1.784 -1.003) 2.147 5.709 ( 1.758 -1.029 -0.899) 2.227 6.747 ( 0.687 2.130 0.470) 2.287 6.826 ( -0.471 0.555 0.426) 0.844 6.867 ( 0.144 -0.312 0.604) 0.695 6.975 ( -1.841 -1.627 0.130) 2.460 ======================= Grid point 200 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -11.206 14.582 -0.000) 18.390 0.965 ( -11.817 15.666 -0.000) 19.623 1.450 ( -5.758 -5.840 0.000) 8.201 1.562 ( -13.545 6.163 -0.000) 14.881 1.700 ( -6.914 3.559 -0.000) 7.776 2.086 ( 11.879 1.697 0.000) 12.000 2.168 ( 4.201 3.567 -0.000) 5.511 2.210 ( 9.679 -3.855 0.000) 10.418 2.316 ( 5.982 -0.026 0.000) 5.982 2.528 ( 1.967 -1.071 0.000) 2.239 2.534 ( 1.813 -0.841 0.000) 1.999 2.674 ( -5.233 1.633 -0.000) 5.482 2.704 ( -1.000 -2.458 0.000) 2.654 2.818 ( -7.172 -4.129 0.000) 8.275 2.954 ( -3.722 1.430 -0.000) 3.987 3.032 ( -3.363 -3.556 0.000) 4.894 3.108 ( 3.537 -4.790 0.000) 5.955 3.137 ( -3.457 2.635 -0.000) 4.347 3.273 ( 0.915 -4.473 0.000) 4.566 3.404 ( -0.181 -0.353 0.000) 0.396 3.516 ( -3.004 1.760 -0.000) 3.482 3.657 ( -1.773 -1.930 0.000) 2.621 3.714 ( -1.603 -1.135 0.000) 1.964 3.891 ( 0.321 -0.769 0.000) 0.833 3.918 ( -2.302 -4.516 0.000) 5.069 3.965 ( -2.210 -0.867 -0.000) 2.374 4.139 ( 1.401 1.916 -0.000) 2.374 4.209 ( -3.132 -0.742 -0.000) 3.218 4.278 ( 1.958 2.500 -0.000) 3.175 4.350 ( 1.002 1.066 -0.000) 1.463 4.403 ( 2.718 -1.265 0.000) 2.998 4.526 ( -3.074 -1.941 0.000) 3.635 4.647 ( 1.195 3.130 -0.000) 3.351 4.681 ( 0.996 4.114 -0.000) 4.233 4.823 ( 3.402 -1.764 0.000) 3.832 4.891 ( 12.220 1.095 0.000) 12.269 5.610 ( 0.866 1.842 -0.000) 2.035 5.683 ( 1.890 -1.118 0.000) 2.196 6.759 ( 0.411 2.007 -0.000) 2.048 6.822 ( 0.635 -0.741 0.000) 0.976 6.889 ( -1.430 1.364 -0.000) 1.976 6.973 ( -1.206 -2.179 0.000) 2.491 ======================= Grid point 209 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -10.000 17.680 -0.000) 20.312 0.610 ( -10.731 19.503 -0.000) 22.260 1.014 ( -17.907 31.885 -0.000) 36.569 1.513 ( -2.800 -8.627 0.000) 9.070 1.750 ( -0.958 -9.061 0.000) 9.112 2.108 ( -0.078 7.124 -0.000) 7.124 2.237 ( 8.417 -0.764 0.000) 8.452 2.368 ( 6.292 0.607 0.000) 6.322 2.371 ( 1.835 -2.753 0.000) 3.308 2.558 ( 2.103 1.739 -0.000) 2.729 2.575 ( 0.345 -0.324 0.000) 0.473 2.604 ( -0.904 0.882 -0.000) 1.263 2.780 ( 4.163 -6.758 0.000) 7.938 2.806 ( 0.002 -3.497 0.000) 3.497 2.897 ( -1.005 2.388 -0.000) 2.591 3.002 ( -7.822 2.143 -0.000) 8.110 3.017 ( -6.709 -5.603 0.000) 8.741 3.216 ( 6.185 1.942 0.000) 6.483 3.354 ( -0.244 -2.173 0.000) 2.187 3.389 ( 0.204 -1.603 0.000) 1.616 3.512 ( -2.118 -8.304 0.000) 8.570 3.642 ( -2.121 0.002 -0.000) 2.121 3.717 ( -1.596 -3.677 0.000) 4.009 3.875 ( -2.925 0.598 -0.000) 2.985 3.919 ( -2.949 -4.526 0.000) 5.402 3.950 ( -2.427 1.397 -0.000) 2.800 4.118 ( -0.706 -0.168 -0.000) 0.726 4.190 ( -2.292 -1.143 -0.000) 2.562 4.286 ( 2.630 1.739 -0.000) 3.153 4.345 ( 1.458 3.441 -0.000) 3.737 4.442 ( 0.399 1.088 -0.000) 1.159 4.480 ( -3.097 -0.137 -0.000) 3.100 4.605 ( 0.275 4.501 -0.000) 4.509 4.664 ( 0.006 0.597 -0.000) 0.597 4.873 ( 1.486 -1.275 0.000) 1.958 5.070 ( 17.720 3.554 0.000) 18.073 5.600 ( 0.508 1.646 -0.000) 1.722 5.717 ( 1.274 -0.917 0.000) 1.570 6.753 ( 3.351 2.976 -0.000) 4.482 6.823 ( -0.318 1.052 -0.000) 1.099 6.874 ( 0.019 -0.608 0.000) 0.608 6.972 ( -3.878 -3.043 0.000) 4.929 ======================= Grid point 219 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 20.386 -0.000) 20.386 0.533 ( 0.000 22.968 -0.000) 22.968 0.881 ( 0.000 37.874 -0.000) 37.874 1.494 ( -0.000 -8.930 0.000) 8.930 1.743 ( -0.000 -9.458 0.000) 9.458 2.104 ( 0.000 7.383 -0.000) 7.383 2.312 ( -0.000 -0.263 0.000) 0.263 2.379 ( -0.000 -2.753 0.000) 2.753 2.397 ( 0.000 1.884 -0.000) 1.884 2.566 ( -0.000 -0.094 0.000) 0.094 2.592 ( 0.000 0.645 -0.000) 0.645 2.596 ( -0.000 -0.957 0.000) 0.957 2.794 ( -0.000 -5.488 0.000) 5.488 2.876 ( -0.000 -0.915 0.000) 0.915 2.887 ( -0.000 -6.839 0.000) 6.839 2.913 ( -0.000 -2.032 0.000) 2.032 2.955 ( 0.000 3.447 -0.000) 3.447 3.278 ( 0.000 1.868 -0.000) 1.868 3.345 ( 0.000 0.081 -0.000) 0.081 3.384 ( -0.000 -2.756 0.000) 2.756 3.483 ( -0.000 -10.759 0.000) 10.759 3.617 ( -0.000 -0.545 0.000) 0.545 3.721 ( -0.000 -2.814 0.000) 2.814 3.826 ( -0.000 -0.448 0.000) 0.448 3.902 ( 0.000 1.213 -0.000) 1.213 3.936 ( 0.000 1.284 -0.000) 1.284 4.120 ( 0.000 2.394 -0.000) 2.394 4.168 ( -0.000 -1.566 0.000) 1.566 4.305 ( 0.000 1.131 -0.000) 1.131 4.362 ( 0.000 4.414 -0.000) 4.414 4.430 ( 0.000 3.658 -0.000) 3.658 4.465 ( -0.000 -2.598 0.000) 2.598 4.607 ( 0.000 4.979 -0.000) 4.979 4.664 ( 0.000 0.756 -0.000) 0.756 4.883 ( -0.000 -1.161 0.000) 1.161 5.228 ( -0.000 -5.236 0.000) 5.236 5.603 ( 0.000 1.661 -0.000) 1.661 5.726 ( -0.000 -0.939 0.000) 0.939 6.807 ( 0.000 0.442 -0.000) 0.442 6.822 ( 0.000 1.171 -0.000) 1.171 6.877 ( -0.000 -0.908 0.000) 0.908 6.911 ( -0.000 -0.542 0.000) 0.542 ======================= Grid point 220 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -3.598 19.358 8.248) 21.348 0.772 ( -3.690 16.556 14.654) 22.416 1.240 ( -6.728 28.044 14.533) 32.294 1.519 ( -1.060 -9.355 8.120) 12.433 1.723 ( -0.670 -8.942 4.158) 9.884 2.137 ( -0.096 6.866 -0.901) 6.925 2.308 ( 6.151 0.583 1.660) 6.398 2.356 ( 0.571 -2.319 -0.129) 2.392 2.417 ( 1.828 0.098 1.698) 2.497 2.542 ( 1.382 -1.076 -2.830) 3.328 2.564 ( -1.798 -1.609 -1.532) 2.858 2.584 ( -0.376 -0.001 -0.777) 0.863 2.759 ( 0.923 -5.888 0.448) 5.976 2.824 ( 3.748 -6.160 1.981) 7.477 2.875 ( -1.632 -0.308 -1.728) 2.397 2.946 ( -6.391 -1.547 0.439) 6.590 2.991 ( -1.227 3.610 0.233) 3.820 3.238 ( 3.111 2.009 -2.605) 4.528 3.338 ( -0.990 -2.789 -0.554) 3.011 3.383 ( -0.274 -5.321 0.953) 5.413 3.450 ( -2.124 -4.934 1.266) 5.519 3.618 ( -2.619 -3.374 0.243) 4.278 3.717 ( 1.532 0.436 0.702) 1.741 3.833 ( -2.882 -0.567 -0.505) 2.981 3.896 ( 0.859 0.710 -1.031) 1.518 3.948 ( -2.047 1.720 -0.189) 2.681 4.100 ( 0.532 2.434 -3.134) 4.004 4.167 ( -1.066 -2.039 -0.254) 2.315 4.292 ( 0.582 1.205 -1.690) 2.156 4.388 ( 2.443 1.939 1.176) 3.334 4.427 ( -0.509 0.829 -2.426) 2.614 4.451 ( -1.476 -1.266 -0.225) 1.958 4.625 ( 1.346 4.084 -1.781) 4.654 4.650 ( -1.316 1.653 -1.503) 2.593 4.878 ( 0.995 0.161 0.435) 1.097 5.165 ( 7.504 -3.360 -0.668) 8.249 5.620 ( 0.202 1.840 0.931) 2.072 5.727 ( 0.819 -1.315 1.011) 1.850 6.769 ( 2.111 2.289 -2.065) 3.736 6.810 ( -1.616 0.696 -1.246) 2.157 6.886 ( 2.714 -0.664 0.867) 2.925 6.935 ( -3.850 -1.326 0.649) 4.123 ======================= Grid point 221 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -3.853 15.296 10.386) 18.886 1.126 ( -4.749 14.840 12.815) 20.175 1.611 ( -1.566 -3.345 10.622) 11.246 1.668 ( -4.762 -3.637 12.415) 13.786 1.841 ( -1.172 4.607 12.931) 13.777 2.148 ( 1.571 1.560 -0.480) 2.265 2.276 ( 5.505 -0.332 -0.163) 5.518 2.356 ( 3.027 0.805 1.074) 3.311 2.407 ( 2.683 -3.180 1.698) 4.494 2.502 ( 2.728 -0.709 -1.126) 3.035 2.540 ( -0.668 1.269 -0.050) 1.435 2.603 ( -4.764 0.146 1.154) 4.904 2.745 ( -0.286 -3.398 1.444) 3.703 2.811 ( 0.910 -1.551 -0.004) 1.798 2.863 ( -2.900 1.101 -1.265) 3.350 2.976 ( -1.869 -3.441 1.264) 4.114 3.016 ( -3.720 2.599 -0.586) 4.576 3.200 ( 1.975 1.460 -0.871) 2.606 3.300 ( -0.587 -4.858 -2.272) 5.395 3.357 ( -2.760 -6.682 -0.287) 7.236 3.493 ( -0.798 -1.574 3.650) 4.054 3.611 ( -2.180 -3.299 -1.215) 4.137 3.725 ( 1.285 1.689 0.720) 2.241 3.840 ( -1.303 0.136 0.045) 1.311 3.880 ( -0.548 1.194 -1.023) 1.665 3.961 ( -1.481 0.668 -0.888) 1.852 4.051 ( -0.678 1.975 -3.675) 4.227 4.146 ( -0.485 -2.620 -1.033) 2.858 4.263 ( -0.362 1.008 -2.312) 2.548 4.358 ( 0.858 -1.576 -3.068) 3.554 4.405 ( 2.765 2.208 -0.170) 3.542 4.458 ( -0.808 -0.684 0.488) 1.166 4.573 ( 2.030 0.049 -3.619) 4.150 4.651 ( -3.160 0.881 -1.601) 3.650 4.884 ( 2.944 3.429 0.313) 4.530 5.073 ( 7.638 -1.168 -2.529) 8.130 5.649 ( 0.366 1.812 1.430) 2.337 5.731 ( 1.191 -1.374 1.035) 2.092 6.752 ( 0.395 1.425 -0.439) 1.543 6.800 ( -1.580 0.239 -1.461) 2.166 6.875 ( 2.425 -0.293 0.225) 2.453 6.954 ( -2.207 -0.474 -0.118) 2.260 ======================= Grid point 222 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -2.041 11.187 8.890) 14.434 1.424 ( -4.780 12.442 9.200) 16.195 1.731 ( 1.200 -6.185 9.003) 10.988 1.839 ( -4.406 -7.766 9.246) 12.853 2.046 ( 3.719 -0.967 5.004) 6.310 2.097 ( 3.137 -5.860 -0.992) 6.721 2.266 ( 3.763 3.268 0.911) 5.067 2.350 ( 0.901 2.940 -1.934) 3.633 2.424 ( 0.526 -2.277 3.130) 3.907 2.523 ( -1.588 -0.554 4.194) 4.518 2.557 ( 2.785 4.625 3.463) 6.414 2.686 ( -2.633 3.217 2.655) 4.932 2.758 ( -2.383 -0.900 -1.656) 3.039 2.812 ( 1.604 -1.091 3.539) 4.036 2.880 ( -3.272 2.927 0.630) 4.435 2.976 ( -2.313 1.182 -1.379) 2.940 3.083 ( -4.653 -1.235 4.003) 6.261 3.178 ( -0.028 -1.600 -1.927) 2.504 3.246 ( -0.804 -2.159 -0.501) 2.358 3.338 ( -2.983 -5.119 -0.479) 5.944 3.543 ( -0.511 -2.881 2.814) 4.059 3.566 ( 0.095 -0.684 -3.189) 3.263 3.737 ( 1.514 1.245 0.635) 2.060 3.854 ( -1.676 -0.062 -0.085) 1.679 3.882 ( -0.257 0.539 -0.022) 0.598 3.947 ( -0.918 -0.102 -1.211) 1.523 4.019 ( -2.094 1.583 -2.712) 3.774 4.120 ( -0.706 -1.665 -0.757) 1.961 4.228 ( -0.796 0.039 -2.692) 2.808 4.288 ( 0.403 -2.420 -3.031) 3.899 4.392 ( 3.769 3.257 -0.707) 5.032 4.456 ( 0.807 -1.313 -0.860) 1.765 4.500 ( 1.239 -1.670 -1.673) 2.669 4.652 ( -4.485 -0.371 -1.467) 4.733 4.873 ( 5.086 4.356 -1.359) 6.832 4.969 ( 7.015 0.092 -3.353) 7.775 5.680 ( 0.356 1.486 1.213) 1.951 5.731 ( 0.903 -1.136 0.794) 1.654 6.759 ( -0.323 0.675 0.444) 0.870 6.788 ( -1.182 -0.088 -1.075) 1.600 6.858 ( 2.106 -0.164 -0.246) 2.127 6.958 ( -1.344 0.085 -0.726) 1.530 ======================= Grid point 223 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.712 5.599 3.852) 6.834 1.614 ( -1.327 7.442 2.793) 8.059 1.851 ( 1.364 -1.425 8.818) 9.036 1.957 ( -1.857 -8.514 6.622) 10.944 2.004 ( -0.078 -2.790 -0.190) 2.798 2.064 ( 3.525 -2.304 0.660) 4.262 2.249 ( 2.766 2.374 -1.396) 3.903 2.307 ( 1.258 -1.206 -2.631) 3.156 2.472 ( -3.508 1.270 0.873) 3.832 2.559 ( -1.970 -0.762 1.181) 2.420 2.675 ( -3.072 3.507 -0.210) 4.667 2.705 ( 1.506 1.978 -0.107) 2.488 2.767 ( 3.593 -0.484 4.287) 5.615 2.840 ( 2.509 -4.000 5.138) 6.978 2.951 ( 0.640 5.129 0.207) 5.173 3.015 ( -5.251 0.608 0.639) 5.324 3.106 ( 0.350 -0.193 -0.595) 0.717 3.202 ( -5.901 -1.390 1.765) 6.314 3.257 ( -1.809 -0.919 0.614) 2.120 3.338 ( -0.816 0.327 1.745) 1.954 3.502 ( 0.380 1.011 -2.841) 3.040 3.572 ( -1.594 -3.820 1.229) 4.318 3.739 ( 2.130 1.054 0.398) 2.410 3.855 ( -1.234 1.057 -1.023) 1.920 3.876 ( 2.056 -2.091 0.943) 3.080 3.946 ( -3.215 -0.224 -1.111) 3.409 3.994 ( -1.663 0.255 -2.231) 2.794 4.113 ( -0.664 -0.456 -0.313) 0.864 4.197 ( -0.711 0.544 -1.142) 1.451 4.235 ( -0.097 -2.542 -0.905) 2.700 4.359 ( 2.460 2.145 -2.341) 4.016 4.432 ( 0.628 0.823 0.502) 1.150 4.494 ( -0.024 -3.029 2.093) 3.682 4.655 ( -4.000 -0.213 -1.552) 4.296 4.819 ( 6.245 2.769 -2.641) 7.324 4.869 ( 6.103 0.404 -3.402) 6.999 5.696 ( 0.410 0.611 0.268) 0.783 5.735 ( 0.097 -0.448 0.627) 0.776 6.773 ( -0.374 0.488 0.115) 0.625 6.784 ( -0.639 -0.195 0.424) 0.791 6.835 ( 1.713 -0.316 -0.697) 1.876 6.952 ( -0.934 0.197 -0.896) 1.309 ======================= Grid point 224 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 4.517 1.335 -3.252) 5.724 1.584 ( 5.648 0.200 -6.260) 8.434 1.969 ( -2.620 1.622 3.657) 4.782 2.005 ( -5.057 -1.467 -0.213) 5.270 2.045 ( 2.870 0.265 4.712) 5.524 2.070 ( -0.078 -3.095 4.417) 5.394 2.228 ( 0.411 1.790 -1.039) 2.110 2.252 ( -0.250 -2.142 -1.663) 2.723 2.492 ( -4.584 1.690 -2.990) 5.729 2.582 ( -3.294 -1.850 0.524) 3.814 2.664 ( 0.152 3.978 -1.113) 4.134 2.699 ( 0.450 -1.668 -0.496) 1.798 2.797 ( 4.005 -0.746 0.926) 4.178 2.901 ( 4.224 -0.064 2.691) 5.009 2.954 ( 1.333 2.925 -2.016) 3.794 3.002 ( 1.976 -3.723 0.060) 4.215 3.105 ( -3.256 2.616 -1.969) 4.617 3.186 ( -2.098 -3.534 -2.854) 5.004 3.309 ( -3.100 2.747 1.262) 4.330 3.384 ( 0.364 0.240 1.891) 1.941 3.493 ( 0.039 2.535 0.495) 2.583 3.562 ( -2.097 -3.651 -0.831) 4.291 3.746 ( 3.086 1.124 1.999) 3.845 3.841 ( 2.849 -1.149 0.436) 3.102 3.890 ( -0.588 1.750 1.117) 2.158 3.932 ( -2.718 -1.929 -2.613) 4.235 3.989 ( 0.475 0.057 1.390) 1.470 4.115 ( -1.192 -0.126 0.456) 1.282 4.200 ( -2.629 -0.166 -0.780) 2.747 4.236 ( 0.504 -0.018 1.689) 1.763 4.327 ( 0.219 0.312 -0.554) 0.672 4.479 ( -0.602 4.077 3.031) 5.115 4.530 ( -2.052 -4.498 3.804) 6.238 4.645 ( -1.823 0.642 -2.056) 2.822 4.744 ( 5.976 0.270 -1.816) 6.252 4.783 ( 3.528 -0.109 -2.628) 4.400 5.691 ( 0.254 -0.013 -0.704) 0.748 5.744 ( -0.647 0.009 0.224) 0.685 6.772 ( 0.469 0.041 -0.141) 0.492 6.803 ( 0.486 0.814 -0.001) 0.948 6.813 ( 0.157 -0.951 0.466) 1.071 6.946 ( -0.780 0.083 -0.539) 0.951 ======================= Grid point 225 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 8.184 0.000 -9.329) 12.410 1.382 ( 7.874 0.000 -11.319) 13.788 1.951 ( -3.042 -0.000 -6.179) 6.888 2.032 ( -5.060 -0.000 -1.154) 5.190 2.127 ( 1.524 0.000 2.601) 3.015 2.135 ( -1.669 -0.000 2.915) 3.359 2.207 ( -0.908 -0.000 -0.870) 1.257 2.239 ( -2.996 -0.000 -2.000) 3.602 2.490 ( -4.146 -0.000 -0.212) 4.152 2.599 ( -1.108 -0.000 -2.351) 2.599 2.644 ( 0.910 -0.000 -2.642) 2.794 2.681 ( 0.719 0.000 -1.429) 1.600 2.724 ( 3.771 0.000 -2.802) 4.698 2.840 ( 4.733 0.000 -4.567) 6.578 2.906 ( 1.948 0.000 -1.279) 2.331 2.956 ( 5.373 0.000 -0.622) 5.409 3.138 ( -1.497 -0.000 -2.845) 3.215 3.160 ( -4.775 -0.000 2.187) 5.252 3.347 ( -1.186 -0.000 0.582) 1.321 3.401 ( -1.020 -0.000 0.524) 1.146 3.539 ( -1.248 0.000 3.652) 3.859 3.561 ( -1.248 -0.000 0.752) 1.457 3.774 ( 3.713 0.000 3.506) 5.107 3.825 ( 4.219 0.000 0.415) 4.239 3.879 ( -1.585 -0.000 -3.145) 3.522 3.921 ( 1.495 0.000 1.427) 2.067 4.008 ( 4.710 0.000 1.738) 5.020 4.136 ( -0.965 -0.000 0.641) 1.159 4.194 ( -4.019 -0.000 -2.133) 4.550 4.275 ( -0.593 0.000 2.764) 2.827 4.355 ( -1.939 -0.000 2.945) 3.526 4.549 ( 1.206 0.000 -1.867) 2.223 4.561 ( -0.535 0.000 2.831) 2.882 4.662 ( -3.805 -0.000 3.124) 4.923 4.715 ( 2.278 0.000 3.011) 3.775 4.736 ( 0.119 -0.000 -1.377) 1.382 5.671 ( -0.057 -0.000 -1.505) 1.506 5.750 ( -1.231 -0.000 -0.168) 1.243 6.759 ( 1.043 0.000 -0.945) 1.408 6.790 ( 1.194 0.000 0.108) 1.199 6.837 ( -0.885 -0.000 1.244) 1.526 6.947 ( -0.494 -0.000 0.176) 0.525 ======================= Grid point 230 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 14.579 13.875) 20.126 0.912 ( 0.000 15.343 14.127) 20.856 1.487 ( 0.000 12.507 27.729) 30.420 1.727 ( -0.000 -7.438 9.957) 12.429 1.865 ( -0.000 -6.004 7.663) 9.735 2.097 ( 0.000 6.479 1.082) 6.568 2.346 ( -0.000 -1.826 -1.198) 2.184 2.374 ( -0.000 -0.627 1.944) 2.043 2.474 ( -0.000 -2.828 3.192) 4.265 2.503 ( -0.000 0.671 -4.270) 4.322 2.521 ( -0.000 -0.308 -0.335) 0.455 2.585 ( 0.000 0.444 0.546) 0.704 2.768 ( -0.000 -2.794 -2.093) 3.490 2.803 ( 0.000 0.746 -3.831) 3.902 2.901 ( 0.000 0.780 1.228) 1.454 2.961 ( -0.000 -2.152 0.374) 2.184 2.982 ( -0.000 -1.957 1.147) 2.268 3.203 ( 0.000 1.228 -0.351) 1.278 3.332 ( -0.000 -3.344 -0.955) 3.477 3.415 ( -0.000 -4.575 -0.569) 4.610 3.534 ( -0.000 -6.110 4.380) 7.517 3.619 ( -0.000 -1.327 -0.840) 1.571 3.730 ( -0.000 -0.260 -0.365) 0.448 3.813 ( 0.000 0.314 -0.626) 0.700 3.888 ( -0.000 -0.507 -0.307) 0.593 3.906 ( 0.000 3.798 -1.051) 3.941 4.009 ( 0.000 4.393 -4.642) 6.392 4.184 ( -0.000 -1.723 -0.232) 1.738 4.250 ( -0.000 0.312 -2.493) 2.512 4.375 ( -0.000 -1.511 -2.687) 3.082 4.418 ( 0.000 2.289 2.199) 3.174 4.454 ( -0.000 -2.674 -0.026) 2.674 4.588 ( 0.000 2.419 -1.429) 2.810 4.616 ( -0.000 -2.037 -1.728) 2.671 4.874 ( 0.000 1.799 -0.895) 2.010 5.132 ( 0.000 1.663 -6.353) 6.567 5.633 ( 0.000 1.412 1.566) 2.108 5.755 ( -0.000 -1.217 0.805) 1.459 6.734 ( 0.000 2.375 -0.428) 2.414 6.787 ( -0.000 -0.109 -0.875) 0.881 6.903 ( 0.000 0.235 -0.579) 0.625 6.935 ( -0.000 -0.943 0.370) 1.013 ======================= Grid point 231 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -1.152 12.076 12.608) 17.496 1.221 ( -3.166 12.694 11.578) 17.470 1.820 ( 2.023 -5.929 9.181) 11.114 1.861 ( -3.249 -5.752 9.022) 11.183 2.074 ( 2.848 3.640 14.460) 15.181 2.149 ( -1.676 0.836 1.793) 2.593 2.306 ( 4.545 1.255 -0.309) 4.725 2.352 ( 1.800 -1.660 -1.886) 3.091 2.440 ( -2.736 -1.469 -2.163) 3.784 2.504 ( -1.871 -1.365 2.496) 3.405 2.571 ( 3.501 1.751 2.567) 4.682 2.604 ( -1.899 1.555 1.952) 3.136 2.737 ( -0.730 -0.112 0.098) 0.745 2.774 ( -3.037 1.534 -1.266) 3.631 2.912 ( 4.215 2.357 1.202) 4.976 2.953 ( 0.709 0.233 -0.860) 1.139 3.019 ( -5.351 -3.548 3.720) 7.421 3.214 ( 1.367 -0.393 1.678) 2.200 3.275 ( -0.586 -5.129 -2.898) 5.920 3.368 ( -1.128 -4.986 -1.523) 5.334 3.573 ( 0.719 -1.495 -1.418) 2.182 3.594 ( -0.173 -4.166 2.624) 4.927 3.734 ( 0.493 2.372 0.422) 2.459 3.813 ( -1.728 0.164 -0.563) 1.825 3.876 ( 0.155 1.070 -0.324) 1.128 3.913 ( -1.846 2.110 -1.664) 3.260 3.978 ( -0.634 3.095 -1.417) 3.462 4.155 ( 1.478 -2.513 -1.085) 3.111 4.213 ( -1.381 -0.415 -2.317) 2.729 4.315 ( -0.002 -2.161 -2.933) 3.643 4.428 ( 3.895 -0.046 0.469) 3.923 4.470 ( -1.683 -0.741 1.141) 2.164 4.537 ( 2.943 -1.205 -3.022) 4.387 4.591 ( -4.702 -0.622 -2.246) 5.248 4.866 ( 1.610 4.497 -1.727) 5.079 5.025 ( 2.934 2.868 -6.137) 7.383 5.667 ( 0.142 1.315 1.454) 1.965 5.755 ( 0.515 -1.150 0.263) 1.287 6.747 ( 0.002 1.224 0.634) 1.378 6.775 ( -0.626 -0.152 -0.648) 0.914 6.886 ( 1.725 0.407 -0.736) 1.919 6.938 ( -1.463 -0.525 -0.373) 1.598 ======================= Grid point 232 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.374 9.070 8.344) 12.330 1.476 ( -3.787 9.443 7.858) 12.856 1.886 ( 0.129 -5.093 3.852) 6.387 1.978 ( -2.578 -2.494 5.927) 6.928 2.086 ( 1.649 -5.087 -2.743) 6.010 2.159 ( 3.157 -2.874 -1.592) 4.556 2.289 ( 5.661 1.066 0.673) 5.800 2.339 ( 3.197 -0.784 0.586) 3.344 2.439 ( -2.934 -2.367 -0.624) 3.821 2.542 ( -2.239 -0.511 0.528) 2.356 2.611 ( -0.824 2.472 0.160) 2.610 2.676 ( -1.701 3.736 1.545) 4.386 2.786 ( 0.819 1.284 5.590) 5.794 2.831 ( -2.362 4.257 3.650) 6.084 2.927 ( -1.363 2.126 0.095) 2.527 2.965 ( 3.205 -1.098 5.288) 6.280 3.114 ( -4.840 -0.402 3.726) 6.121 3.175 ( 1.534 -4.868 -2.475) 5.673 3.263 ( -0.328 -0.527 2.361) 2.441 3.328 ( -1.321 -1.708 -1.446) 2.598 3.508 ( 0.415 -0.718 -3.485) 3.583 3.611 ( 0.279 -4.546 1.453) 4.780 3.745 ( 1.399 2.504 -0.196) 2.875 3.818 ( -1.438 0.752 -0.146) 1.630 3.891 ( -2.852 1.798 -0.914) 3.493 3.907 ( -1.466 -0.074 -0.334) 1.506 3.988 ( 0.982 0.101 0.994) 1.400 4.116 ( 0.121 -1.798 -0.933) 2.030 4.188 ( -1.414 -1.135 -0.978) 2.060 4.263 ( -0.240 -2.115 -1.589) 2.656 4.389 ( 5.266 0.925 -1.962) 5.695 4.453 ( 1.376 -1.972 -0.957) 2.588 4.508 ( -1.225 -0.783 0.805) 1.662 4.592 ( -5.657 -0.511 -1.513) 5.878 4.837 ( 3.217 5.078 -3.048) 6.740 4.925 ( 3.856 2.586 -4.857) 6.719 5.691 ( 0.229 0.946 0.739) 1.222 5.747 ( 0.333 -0.945 -0.142) 1.012 6.765 ( 0.018 0.543 0.729) 0.909 6.776 ( -0.657 0.122 0.355) 0.757 6.862 ( 1.783 0.239 -0.947) 2.033 6.935 ( -1.357 -0.385 -0.700) 1.575 ======================= Grid point 233 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.877 4.715 1.187) 6.218 1.607 ( 0.776 4.167 0.372) 4.254 1.894 ( -5.455 -1.177 -2.242) 6.014 1.999 ( -1.284 -4.597 -2.755) 5.511 2.076 ( -0.177 1.625 4.270) 4.572 2.109 ( 2.494 -0.911 0.584) 2.718 2.261 ( 4.600 0.017 -0.341) 4.612 2.290 ( 3.370 -2.964 -1.387) 4.697 2.433 ( -2.921 -1.794 -1.147) 3.615 2.561 ( -5.187 -3.908 -0.441) 6.510 2.608 ( 0.916 5.109 -0.863) 5.262 2.710 ( -0.506 -0.043 0.747) 0.903 2.835 ( 0.592 0.376 0.986) 1.210 2.920 ( 0.820 4.398 0.442) 4.496 2.958 ( 1.731 1.796 0.353) 2.519 3.031 ( 0.387 -1.746 4.423) 4.771 3.100 ( 2.103 -2.038 -1.747) 3.410 3.181 ( -3.146 0.104 -0.532) 3.192 3.273 ( 0.593 -2.189 0.362) 2.297 3.358 ( -1.674 2.483 2.266) 3.755 3.471 ( 0.485 0.945 0.243) 1.090 3.590 ( -1.418 -5.032 -0.892) 5.303 3.756 ( 1.911 2.818 1.608) 3.765 3.841 ( -0.369 1.350 0.922) 1.676 3.884 ( -2.089 1.011 -1.259) 2.641 3.925 ( -1.416 -1.477 0.602) 2.133 3.999 ( 1.393 -1.997 2.552) 3.527 4.101 ( -1.308 -0.673 -0.456) 1.540 4.190 ( 0.028 -0.558 0.778) 0.958 4.247 ( 0.102 -1.227 0.554) 1.350 4.332 ( 2.181 1.446 -1.501) 3.016 4.445 ( 0.312 0.750 1.242) 1.484 4.536 ( -2.793 -1.937 1.954) 3.920 4.602 ( -4.118 -0.331 -1.292) 4.328 4.783 ( 3.348 3.614 -3.267) 5.912 4.838 ( 3.967 0.974 -3.505) 5.382 5.696 ( 0.432 0.204 -0.399) 0.623 5.738 ( -0.425 -0.443 -0.441) 0.756 6.776 ( 0.447 0.351 0.627) 0.847 6.794 ( -0.277 0.430 0.940) 1.071 6.835 ( 1.388 -0.177 -0.811) 1.617 6.931 ( -1.352 -0.426 -0.496) 1.502 ======================= Grid point 234 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 7.911 1.433 -6.375) 10.260 1.508 ( 7.539 -1.631 -8.178) 11.242 1.892 ( -5.904 2.632 -4.081) 7.644 1.952 ( -5.677 -3.907 -2.982) 7.509 2.117 ( 0.254 1.726 0.195) 1.756 2.145 ( 0.346 2.866 1.174) 3.116 2.216 ( 1.300 -0.642 -1.322) 1.963 2.240 ( 1.483 -3.076 -0.927) 3.539 2.432 ( -3.073 -0.271 -0.212) 3.092 2.548 ( -4.619 -2.905 -2.459) 5.985 2.629 ( -0.165 2.964 -0.604) 3.029 2.700 ( 0.744 -1.445 -1.312) 2.088 2.808 ( 5.283 1.007 -3.746) 6.554 2.885 ( 2.293 2.333 -2.759) 4.280 2.929 ( 2.876 1.337 -1.223) 3.399 3.042 ( 5.017 -0.729 -0.602) 5.106 3.110 ( -2.053 -2.403 2.954) 4.326 3.148 ( -1.132 -3.347 -2.061) 4.091 3.277 ( -1.463 4.490 0.002) 4.723 3.400 ( -1.489 -1.277 0.739) 2.096 3.516 ( -0.129 1.815 3.315) 3.782 3.566 ( -1.581 -3.189 0.152) 3.562 3.800 ( 3.034 3.171 2.915) 5.269 3.840 ( -0.186 1.361 -1.086) 1.751 3.900 ( 0.370 -2.061 0.118) 2.097 3.937 ( 0.190 -0.442 2.682) 2.725 4.043 ( 0.622 -0.576 3.586) 3.685 4.110 ( -0.596 0.888 0.243) 1.097 4.181 ( -0.084 -2.567 -0.993) 2.753 4.266 ( 0.216 1.333 1.970) 2.388 4.338 ( -0.081 0.932 2.168) 2.361 4.493 ( -0.750 3.903 1.828) 4.375 4.580 ( -2.160 -1.203 0.142) 2.476 4.612 ( -4.154 -1.422 2.086) 4.861 4.734 ( 1.872 1.202 -1.961) 2.965 4.771 ( 1.724 -1.319 -1.509) 2.644 5.676 ( 0.385 -0.350 -1.470) 1.559 5.733 ( -1.256 -0.014 -0.727) 1.452 6.777 ( 1.430 -0.024 -0.317) 1.465 6.804 ( 1.170 0.578 0.379) 1.359 6.829 ( -0.454 -0.220 0.803) 0.948 6.935 ( -1.363 -0.415 0.219) 1.442 ======================= Grid point 235 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 11.418 0.760 -10.772) 15.716 1.255 ( 11.185 -3.134 -12.037) 16.728 1.820 ( 1.127 -1.332 -8.357) 8.537 1.921 ( -6.801 0.655 -5.563) 8.811 2.076 ( 1.670 3.458 -6.139) 7.241 2.125 ( -0.978 -1.742 -7.315) 7.583 2.163 ( -0.771 -0.807 -1.399) 1.790 2.233 ( -2.595 -1.678 0.729) 3.175 2.454 ( -3.671 3.266 -1.347) 5.095 2.509 ( -4.461 -1.474 -3.170) 5.667 2.613 ( 1.595 2.034 -1.094) 2.806 2.653 ( 0.922 -3.128 -1.725) 3.689 2.733 ( 3.183 1.264 -0.522) 3.465 2.839 ( 5.039 -0.490 0.026) 5.063 2.914 ( 2.419 1.068 -0.228) 2.654 3.012 ( 5.203 -0.124 2.170) 5.639 3.113 ( 0.089 -0.606 -0.404) 0.733 3.127 ( -2.776 -1.392 -1.818) 3.598 3.344 ( -2.580 4.348 1.900) 5.401 3.400 ( -2.188 -3.503 -0.262) 4.138 3.572 ( -0.617 1.142 1.433) 1.933 3.594 ( -2.099 -0.893 3.203) 3.932 3.806 ( 0.859 1.157 -0.567) 1.549 3.858 ( 4.303 1.630 0.981) 4.705 3.900 ( 1.385 -0.830 3.323) 3.694 3.958 ( 2.603 -0.805 0.543) 2.778 4.075 ( 5.636 1.154 2.219) 6.166 4.124 ( -1.797 1.675 0.445) 2.497 4.159 ( -2.030 -3.794 0.166) 4.306 4.315 ( -0.901 0.482 2.689) 2.876 4.402 ( -0.831 1.393 3.478) 3.837 4.511 ( 1.394 1.316 -2.231) 2.941 4.586 ( -0.407 1.568 0.690) 1.761 4.675 ( -2.216 -1.092 -0.020) 2.471 4.726 ( -2.829 0.653 2.470) 3.812 4.771 ( -3.925 -2.894 2.116) 5.315 5.642 ( 0.053 -0.335 -2.039) 2.067 5.729 ( -1.935 0.078 -0.991) 2.175 6.751 ( 1.695 -0.206 -1.109) 2.036 6.809 ( 1.615 0.074 0.971) 1.886 6.847 ( -0.935 0.113 0.618) 1.126 6.953 ( -0.931 -0.162 1.139) 1.480 ======================= Grid point 236 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 14.424 0.000 -12.869) 19.331 0.934 ( 14.343 0.000 -13.811) 19.911 1.497 ( 13.630 0.000 -22.671) 26.453 1.843 ( -1.392 -0.000 -7.874) 7.996 1.974 ( 0.838 -0.000 -5.860) 5.919 2.002 ( -0.381 -0.000 -2.673) 2.700 2.192 ( -6.860 -0.000 0.286) 6.866 2.244 ( -8.183 -0.000 -3.093) 8.748 2.454 ( -0.172 -0.000 -0.817) 0.835 2.505 ( -5.871 -0.000 -2.162) 6.256 2.596 ( 2.895 0.000 -0.800) 3.003 2.606 ( 1.876 0.000 -0.893) 2.078 2.757 ( -2.442 -0.000 2.591) 3.560 2.827 ( 5.401 0.000 3.042) 6.199 2.893 ( 0.255 -0.000 -1.331) 1.355 3.025 ( 6.963 0.000 3.403) 7.750 3.099 ( -4.972 -0.000 -2.891) 5.752 3.126 ( 2.182 0.000 2.416) 3.255 3.387 ( -1.811 -0.000 -0.593) 1.905 3.388 ( -2.168 -0.000 -1.095) 2.429 3.601 ( 0.426 0.000 1.558) 1.616 3.670 ( -4.962 -0.000 3.091) 5.846 3.800 ( 5.322 0.000 -3.278) 6.251 3.820 ( 0.979 0.000 2.029) 2.253 3.927 ( 3.800 0.000 0.105) 3.802 3.973 ( 1.913 0.000 5.484) 5.808 4.081 ( 9.028 0.000 4.106) 9.918 4.137 ( -1.676 -0.000 -0.498) 1.749 4.195 ( -3.069 -0.000 2.634) 4.044 4.358 ( -0.367 -0.000 0.861) 0.936 4.453 ( 2.351 0.000 -1.706) 2.905 4.465 ( -1.457 -0.000 2.024) 2.494 4.598 ( 0.663 0.000 0.210) 0.695 4.661 ( -1.856 -0.000 -1.904) 2.659 4.809 ( -3.486 -0.000 3.065) 4.642 4.843 ( -9.402 -0.000 0.800) 9.436 5.607 ( -0.328 -0.000 -1.923) 1.951 5.726 ( -2.285 -0.000 -1.106) 2.539 6.720 ( 1.672 0.000 -1.030) 1.964 6.813 ( 1.695 0.000 0.843) 1.893 6.863 ( -1.251 -0.000 0.330) 1.294 6.981 ( -0.029 0.000 1.741) 1.742 ======================= Grid point 237 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 20.558 0.000 -0.000) 20.558 0.637 ( 22.538 0.000 -0.000) 22.538 1.007 ( 34.917 0.000 -0.000) 34.917 1.666 ( 4.430 0.000 -0.000) 4.430 1.866 ( -0.429 -0.000 0.000) 0.429 1.990 ( -4.493 -0.000 0.000) 4.493 2.158 ( -10.988 -0.000 0.000) 10.988 2.204 ( -6.439 -0.000 0.000) 6.439 2.429 ( -7.127 -0.000 0.000) 7.127 2.446 ( 1.438 0.000 -0.000) 1.438 2.587 ( 0.373 0.000 -0.000) 0.373 2.593 ( 1.758 0.000 -0.000) 1.758 2.807 ( -3.681 -0.000 0.000) 3.681 2.867 ( 3.044 0.000 -0.000) 3.044 2.903 ( 5.012 0.000 -0.000) 5.012 3.045 ( -4.849 -0.000 0.000) 4.849 3.099 ( 6.560 0.000 -0.000) 6.560 3.205 ( 1.381 0.000 -0.000) 1.381 3.353 ( -3.639 -0.000 0.000) 3.639 3.360 ( 0.140 0.000 -0.000) 0.140 3.624 ( -1.666 -0.000 0.000) 1.666 3.712 ( 5.350 0.000 -0.000) 5.350 3.723 ( -6.628 -0.000 0.000) 6.628 3.884 ( 2.900 0.000 -0.000) 2.900 3.962 ( 3.256 0.000 -0.000) 3.256 4.098 ( -0.275 -0.000 0.000) 0.275 4.119 ( -2.987 -0.000 0.000) 2.987 4.244 ( 0.159 0.000 -0.000) 0.159 4.316 ( 3.627 0.000 -0.000) 3.627 4.372 ( 1.084 0.000 -0.000) 1.084 4.410 ( -1.235 -0.000 0.000) 1.235 4.467 ( -0.211 -0.000 0.000) 0.211 4.606 ( -0.792 -0.000 0.000) 0.792 4.617 ( -1.745 -0.000 0.000) 1.745 4.678 ( -0.591 -0.000 0.000) 0.591 4.862 ( -2.622 -0.000 0.000) 2.622 5.570 ( -0.504 -0.000 0.000) 0.504 5.705 ( -2.178 -0.000 0.000) 2.178 6.701 ( 1.880 0.000 -0.000) 1.880 6.830 ( 1.947 0.000 -0.000) 1.947 6.869 ( -1.312 -0.000 0.000) 1.312 7.030 ( -1.202 -0.000 0.000) 1.202 ======================= Grid point 241 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 8.374 11.399) 14.144 1.342 ( 0.000 7.292 10.578) 12.847 1.968 ( -0.000 -6.483 -0.157) 6.485 1.969 ( -0.000 -1.481 4.670) 4.899 2.135 ( -0.000 -1.273 -1.026) 1.635 2.196 ( -0.000 -1.336 -2.743) 3.051 2.352 ( 0.000 2.040 -1.409) 2.480 2.373 ( -0.000 -0.606 0.707) 0.931 2.398 ( 0.000 3.830 7.591) 8.502 2.523 ( -0.000 -4.026 -0.981) 4.144 2.598 ( 0.000 3.262 1.843) 3.747 2.634 ( -0.000 -2.489 0.256) 2.502 2.773 ( 0.000 1.971 3.636) 4.136 2.789 ( 0.000 -0.480 5.945) 5.965 2.902 ( 0.000 1.613 1.085) 1.944 2.961 ( 0.000 5.740 2.445) 6.238 3.115 ( -0.000 -4.692 4.692) 6.635 3.241 ( -0.000 -3.651 -4.087) 5.480 3.272 ( -0.000 -1.856 3.637) 4.083 3.340 ( -0.000 -2.837 -3.240) 4.307 3.524 ( -0.000 -1.546 -3.408) 3.742 3.666 ( -0.000 -3.492 0.640) 3.550 3.709 ( 0.000 5.064 -0.641) 5.104 3.804 ( 0.000 1.198 -0.603) 1.341 3.845 ( 0.000 0.278 0.113) 0.300 3.889 ( 0.000 0.382 0.141) 0.407 3.977 ( 0.000 2.719 2.501) 3.694 4.148 ( -0.000 -1.243 -1.505) 1.952 4.196 ( -0.000 -3.053 0.176) 3.058 4.279 ( -0.000 -1.440 -2.721) 3.079 4.454 ( 0.000 0.522 -0.592) 0.790 4.478 ( -0.000 -0.992 0.653) 1.188 4.522 ( -0.000 -5.788 -3.858) 6.956 4.535 ( 0.000 0.297 -0.402) 0.500 4.798 ( 0.000 5.293 -3.562) 6.380 4.905 ( 0.000 5.631 -5.503) 7.873 5.683 ( 0.000 0.704 1.066) 1.278 5.760 ( -0.000 -0.829 -0.456) 0.947 6.759 ( 0.000 0.834 1.317) 1.559 6.769 ( -0.000 -0.056 0.009) 0.057 6.868 ( 0.000 0.836 -1.398) 1.629 6.933 ( -0.000 -0.939 -0.167) 0.954 ======================= Grid point 242 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.275 6.217 5.909) 8.874 1.528 ( -2.679 5.550 5.692) 8.389 1.868 ( -1.862 -2.773 -7.650) 8.347 2.014 ( -0.600 0.029 -1.691) 1.795 2.088 ( 0.928 -3.654 0.506) 3.804 2.140 ( 1.206 -0.433 -1.929) 2.315 2.293 ( 1.848 1.865 -3.982) 4.769 2.374 ( 2.481 -0.365 -0.866) 2.653 2.470 ( 0.964 -5.711 1.411) 5.961 2.515 ( -3.967 -1.264 1.110) 4.309 2.606 ( 1.689 -0.011 -0.104) 1.692 2.670 ( -2.020 2.936 2.267) 4.224 2.837 ( 0.251 0.554 1.890) 1.986 2.862 ( -1.674 1.018 0.413) 2.002 2.961 ( 2.311 2.508 2.828) 4.430 3.027 ( -0.744 4.992 0.740) 5.101 3.149 ( 2.242 -2.985 0.901) 3.840 3.176 ( -1.685 -4.763 0.266) 5.059 3.307 ( -1.275 1.111 0.594) 1.792 3.320 ( 0.612 -2.361 2.910) 3.797 3.482 ( 0.787 -0.529 -0.261) 0.983 3.633 ( -0.314 -4.121 -1.304) 4.334 3.737 ( 1.623 4.851 1.486) 5.327 3.815 ( -2.486 1.538 -0.047) 2.924 3.847 ( 0.272 -0.229 -0.077) 0.363 3.907 ( -1.816 -0.434 1.216) 2.228 4.038 ( 1.193 0.918 3.560) 3.865 4.108 ( -0.133 -2.645 -1.348) 2.972 4.202 ( -0.091 -1.959 1.903) 2.733 4.248 ( -0.790 0.214 -0.376) 0.900 4.384 ( 5.144 -1.462 -3.550) 6.419 4.462 ( 1.155 -0.982 -0.172) 1.526 4.497 ( -4.681 -0.819 0.073) 4.752 4.552 ( -2.597 0.377 0.194) 2.632 4.762 ( 1.088 5.162 -3.725) 6.458 4.850 ( 1.257 3.236 -3.563) 4.975 5.696 ( 0.142 0.369 0.109) 0.410 5.743 ( -0.018 -0.842 -1.002) 1.309 6.776 ( 0.284 0.427 0.952) 1.082 6.785 ( -0.319 0.497 1.125) 1.271 6.846 ( 0.665 0.812 -1.401) 1.751 6.927 ( -0.604 -1.334 -0.042) 1.465 ======================= Grid point 243 (99/171) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 6.633 2.776 -2.495) 7.611 1.594 ( 2.776 0.253 -1.775) 3.305 1.763 ( -6.979 2.107 -6.291) 9.629 1.943 ( -4.054 -4.259 -4.499) 7.404 2.096 ( 1.633 3.178 -1.051) 3.725 2.118 ( 1.133 1.480 0.051) 1.864 2.219 ( -0.061 1.412 -4.628) 4.839 2.312 ( 1.620 -3.259 -2.824) 4.606 2.449 ( 0.410 -4.548 0.173) 4.570 2.537 ( -1.706 -1.820 -0.663) 2.581 2.611 ( 1.358 0.956 1.714) 2.387 2.716 ( 0.062 0.250 0.116) 0.282 2.828 ( 0.248 0.164 -3.054) 3.068 2.851 ( -1.408 3.390 -3.197) 4.868 2.947 ( 3.906 3.002 -1.364) 5.112 3.090 ( -1.520 1.495 2.706) 3.444 3.118 ( -0.522 -1.484 -0.051) 1.574 3.158 ( 1.476 -3.604 -1.203) 4.077 3.303 ( 3.252 -3.523 -0.037) 4.795 3.375 ( -2.252 0.717 2.497) 3.438 3.503 ( 0.791 0.814 2.968) 3.178 3.593 ( -0.524 -4.230 -0.690) 4.318 3.783 ( 1.461 4.713 1.446) 5.142 3.826 ( -0.708 1.305 -0.417) 1.543 3.883 ( -1.189 1.569 2.683) 3.328 3.936 ( -1.956 -1.898 1.458) 3.091 4.073 ( 1.034 -2.400 1.822) 3.186 4.109 ( 0.028 -0.252 2.757) 2.769 4.221 ( 1.342 -1.541 1.068) 2.306 4.261 ( 1.135 0.893 0.534) 1.540 4.322 ( 0.994 2.176 0.407) 2.427 4.467 ( 0.765 1.132 1.140) 1.779 4.531 ( -4.680 -0.024 0.147) 4.683 4.578 ( -2.770 0.116 1.088) 2.978 4.724 ( -0.074 2.272 -2.537) 3.406 4.800 ( 1.554 0.579 -2.550) 3.042 5.687 ( 0.525 -0.291 -1.049) 1.209 5.721 ( -0.804 -0.489 -1.386) 1.675 6.793 ( 1.056 0.283 0.640) 1.266 6.806 ( 0.224 0.652 1.047) 1.254 6.827 ( 0.229 0.623 -0.571) 0.875 6.927 ( -1.118 -1.483 0.428) 1.906 ======================= Grid point 244 (100/171) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 10.107 0.472 -7.753) 12.747 1.438 ( 9.598 -3.809 -8.476) 13.359 1.763 ( -7.002 3.928 -3.216) 8.649 1.882 ( -5.445 -6.019 -4.004) 9.050 2.032 ( 0.811 4.616 -7.317) 8.689 2.106 ( -0.284 1.170 -3.340) 3.551 2.197 ( 0.011 1.258 -2.171) 2.509 2.220 ( -1.853 -1.798 -4.218) 4.946 2.405 ( 1.187 -1.488 -3.663) 4.128 2.492 ( -0.408 -1.431 -2.704) 3.087 2.630 ( 2.137 -0.250 0.484) 2.205 2.688 ( 1.405 0.268 -0.910) 1.695 2.750 ( 1.022 0.383 -3.379) 3.551 2.859 ( -2.160 0.734 0.153) 2.286 2.937 ( 3.533 2.584 0.949) 4.479 3.066 ( 1.866 -0.631 -1.813) 2.678 3.104 ( 1.307 -1.845 -1.139) 2.532 3.175 ( -0.629 -2.627 1.799) 3.245 3.283 ( 1.411 0.947 2.420) 2.957 3.408 ( -1.988 -2.714 0.446) 3.394 3.547 ( -0.553 0.817 0.959) 1.376 3.589 ( -0.737 -1.485 2.068) 2.650 3.799 ( 1.115 2.961 -0.582) 3.217 3.855 ( -0.461 3.368 0.729) 3.476 3.913 ( 0.969 0.067 1.295) 1.619 3.984 ( -1.317 -0.570 2.779) 3.127 4.081 ( 1.261 -0.333 0.982) 1.632 4.147 ( 1.800 -0.765 2.383) 3.083 4.203 ( 1.893 -2.972 1.323) 3.764 4.291 ( -0.686 1.646 1.998) 2.679 4.374 ( 0.852 3.693 2.756) 4.686 4.492 ( 0.325 2.152 0.931) 2.367 4.553 ( -0.898 2.748 -0.403) 2.919 4.645 ( -5.344 -1.419 3.549) 6.571 4.705 ( -1.969 -1.388 -1.283) 2.729 4.756 ( -0.901 -1.243 -1.548) 2.180 5.653 ( 0.589 -0.786 -1.962) 2.194 5.704 ( -1.682 -0.044 -1.459) 2.228 6.778 ( 1.775 -0.177 -0.812) 1.960 6.825 ( 0.664 0.648 0.842) 1.253 6.835 ( -0.020 0.292 0.954) 0.998 6.942 ( -1.446 -1.023 1.101) 2.086 ======================= Grid point 245 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 13.823 -1.085 -9.931) 17.056 1.169 ( 14.153 -4.594 -10.630) 18.287 1.727 ( 10.697 -5.770 -9.049) 15.153 1.780 ( -3.843 3.358 -4.538) 6.829 1.936 ( -3.986 3.043 -6.152) 7.937 2.006 ( 0.635 -1.779 -7.317) 7.557 2.114 ( -5.000 0.544 -3.995) 6.423 2.186 ( -2.071 -2.806 -3.328) 4.821 2.367 ( -5.834 5.254 -2.799) 8.335 2.473 ( -0.112 -0.838 0.163) 0.861 2.608 ( 2.467 0.916 -0.682) 2.718 2.661 ( 0.869 -3.207 -0.924) 3.449 2.735 ( 0.017 0.907 0.842) 1.238 2.883 ( 1.048 0.262 1.947) 2.227 2.933 ( 4.881 0.191 0.689) 4.933 3.040 ( -2.108 -0.237 -1.864) 2.824 3.085 ( 2.689 1.856 1.503) 3.597 3.169 ( 1.652 -3.339 1.416) 3.985 3.337 ( -1.846 1.699 0.966) 2.689 3.394 ( -1.029 -3.274 -0.957) 3.563 3.574 ( -1.368 2.760 0.685) 3.156 3.627 ( -3.257 -2.372 1.824) 4.422 3.808 ( 2.215 4.606 -0.390) 5.126 3.853 ( 0.962 0.666 -0.948) 1.506 3.940 ( 1.244 1.456 1.744) 2.590 4.017 ( 1.222 -1.902 2.847) 3.636 4.101 ( 0.370 2.279 0.901) 2.479 4.179 ( 1.404 -0.973 3.629) 4.011 4.206 ( 2.992 -2.984 3.019) 5.193 4.342 ( -1.075 1.577 1.611) 2.498 4.417 ( 0.993 4.540 0.309) 4.658 4.504 ( 1.171 -0.950 0.426) 1.567 4.571 ( -0.077 2.704 0.119) 2.708 4.665 ( -0.584 -3.197 -1.285) 3.494 4.742 ( -6.434 -0.345 1.347) 6.582 4.763 ( -5.398 -1.661 0.707) 5.692 5.611 ( 0.255 -0.745 -1.983) 2.133 5.694 ( -2.262 0.144 -1.311) 2.619 6.749 ( 1.939 -0.515 -0.789) 2.156 6.835 ( 0.626 0.666 0.452) 1.020 6.851 ( 0.286 -0.446 0.899) 1.044 6.971 ( -1.310 -0.127 1.536) 2.023 ======================= Grid point 246 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 16.633 -2.566 -11.590) 20.434 0.867 ( 19.313 -2.652 -8.068) 21.098 1.353 ( 27.333 -5.440 -11.567) 30.174 1.735 ( 3.387 2.407 -4.257) 5.949 1.880 ( -1.972 1.859 -3.776) 4.648 1.957 ( -7.056 -1.648 -0.867) 7.297 2.110 ( -8.785 1.674 -3.069) 9.456 2.167 ( -5.572 -2.363 -0.112) 6.053 2.392 ( -7.323 4.075 -2.965) 8.890 2.467 ( 0.070 -2.727 -0.053) 2.728 2.591 ( 1.980 1.873 -0.430) 2.759 2.619 ( 2.142 -2.258 -0.628) 3.175 2.770 ( -1.991 1.372 1.410) 2.799 2.894 ( 4.097 0.382 0.119) 4.116 2.917 ( 4.896 -0.841 2.348) 5.495 3.024 ( -4.971 -0.976 -1.684) 5.338 3.120 ( 4.511 0.663 2.621) 5.260 3.179 ( 0.431 0.506 1.948) 2.058 3.348 ( -2.798 -0.433 -1.404) 3.160 3.369 ( -0.338 -1.497 -0.573) 1.638 3.609 ( -1.119 3.710 -0.185) 3.880 3.672 ( -5.938 -2.054 1.247) 6.406 3.763 ( 4.405 1.917 -2.560) 5.444 3.875 ( 2.163 0.310 2.763) 3.522 3.962 ( 1.510 1.046 1.161) 2.173 4.060 ( -0.107 -0.755 3.298) 3.385 4.112 ( -1.038 0.687 -0.539) 1.357 4.218 ( 3.319 0.017 3.341) 4.709 4.257 ( 2.600 -0.140 6.159) 6.687 4.353 ( 1.804 1.318 -1.250) 2.560 4.438 ( -0.317 3.757 -0.154) 3.773 4.484 ( 0.258 -3.579 -0.437) 3.615 4.587 ( -0.060 2.750 0.081) 2.751 4.635 ( -1.395 -3.643 -0.808) 3.984 4.743 ( -7.189 -2.203 -5.197) 9.140 4.825 ( -3.541 0.270 1.764) 3.966 5.579 ( -0.170 -0.463 -1.217) 1.313 5.694 ( -2.425 0.192 -0.672) 2.524 6.721 ( 1.993 -0.579 -0.507) 2.136 6.838 ( 1.834 0.369 0.474) 1.930 6.859 ( -1.029 -0.450 0.248) 1.151 7.006 ( -1.091 0.373 1.406) 1.818 ======================= Grid point 252 (103/171) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.000 4.040 3.407) 5.285 1.549 ( 0.000 1.682 -0.146) 1.688 1.716 ( -0.000 -0.717 -8.367) 8.398 1.949 ( -0.000 -2.121 -5.536) 5.929 2.107 ( 0.000 1.910 -2.545) 3.182 2.114 ( -0.000 -1.766 -0.715) 1.906 2.208 ( -0.000 -0.109 -4.763) 4.764 2.338 ( -0.000 -0.576 -3.024) 3.078 2.509 ( -0.000 -4.387 -2.999) 5.314 2.512 ( 0.000 5.576 -1.321) 5.731 2.613 ( -0.000 -0.840 2.124) 2.284 2.727 ( -0.000 -1.877 4.621) 4.988 2.796 ( -0.000 3.579 -4.606) 5.833 2.849 ( -0.000 -3.404 -1.871) 3.884 2.961 ( -0.000 1.663 -2.261) 2.807 3.011 ( 0.000 5.298 4.009) 6.644 3.156 ( -0.000 -4.973 -2.823) 5.718 3.235 ( -0.000 -4.849 1.662) 5.125 3.314 ( 0.000 1.473 1.647) 2.210 3.387 ( -0.000 -2.356 2.765) 3.632 3.506 ( -0.000 0.321 2.573) 2.593 3.636 ( -0.000 -2.658 -0.172) 2.663 3.756 ( -0.000 5.635 1.821) 5.922 3.768 ( 0.000 1.698 -1.865) 2.523 3.881 ( -0.000 -1.732 2.150) 2.761 3.942 ( -0.000 -2.120 3.130) 3.781 4.102 ( 0.000 1.480 3.946) 4.214 4.109 ( -0.000 -1.815 0.117) 1.819 4.242 ( 0.000 2.747 1.132) 2.971 4.248 ( -0.000 -2.180 1.578) 2.692 4.340 ( -0.000 -0.727 -3.817) 3.886 4.467 ( -0.000 1.691 0.400) 1.738 4.476 ( 0.000 1.703 -1.683) 2.394 4.550 ( -0.000 -0.130 1.617) 1.622 4.696 ( -0.000 1.916 -1.346) 2.342 4.797 ( -0.000 1.571 -1.604) 2.245 5.692 ( -0.000 -0.074 -0.563) 0.568 5.723 ( -0.000 -0.774 -1.810) 1.968 6.797 ( -0.000 0.544 1.727) 1.811 6.798 ( 0.000 0.403 0.807) 0.903 6.821 ( -0.000 0.714 -1.241) 1.432 6.938 ( -0.000 -1.505 0.564) 1.607 ======================= Grid point 254 (104/171) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 6.422 1.330 -5.855) 8.792 1.577 ( 1.987 -1.733 -3.125) 4.089 1.624 ( -3.853 2.152 -2.769) 5.211 1.850 ( -4.295 -3.288 -5.076) 7.418 2.041 ( 3.990 0.786 -5.823) 7.103 2.087 ( -2.114 0.268 -4.625) 5.093 2.138 ( -0.528 2.660 -1.455) 3.077 2.231 ( -1.845 -2.687 -9.233) 9.792 2.447 ( 1.964 1.241 -1.348) 2.686 2.499 ( -0.436 3.490 -3.918) 5.264 2.668 ( 0.490 -1.119 3.747) 3.941 2.704 ( 5.601 0.506 -2.919) 6.336 2.776 ( -0.438 -3.340 -1.991) 3.912 2.805 ( -4.822 -2.406 0.450) 5.408 2.944 ( 1.988 2.987 0.332) 3.603 3.079 ( -0.029 -0.020 -2.455) 2.455 3.127 ( -2.077 0.897 3.191) 3.911 3.194 ( 2.391 -4.592 -0.752) 5.232 3.337 ( 1.047 -1.132 0.798) 1.736 3.411 ( -0.427 -2.733 1.976) 3.400 3.561 ( 1.721 -0.262 2.877) 3.363 3.605 ( -0.502 -3.689 -0.397) 3.744 3.767 ( 1.327 4.864 -0.267) 5.049 3.794 ( -2.340 3.870 -1.046) 4.641 3.919 ( 0.313 0.210 2.487) 2.515 3.976 ( -1.160 -2.690 2.396) 3.784 4.116 ( 1.743 -0.973 1.826) 2.705 4.158 ( -0.309 0.859 1.670) 1.903 4.253 ( 1.369 -0.845 0.511) 1.688 4.266 ( -0.298 1.233 0.377) 1.323 4.345 ( 0.927 3.555 3.427) 5.024 4.475 ( 0.004 3.292 0.076) 3.293 4.502 ( -0.535 2.715 1.630) 3.212 4.592 ( -3.149 -0.761 2.358) 4.007 4.685 ( -1.776 -0.906 -0.821) 2.156 4.769 ( 0.387 -0.565 -1.885) 2.006 5.671 ( 0.690 -0.624 -1.603) 1.853 5.688 ( -1.001 -0.494 -2.040) 2.325 6.799 ( 1.238 0.174 -0.577) 1.377 6.813 ( -0.777 0.450 -0.120) 0.906 6.836 ( 0.398 0.810 2.309) 2.479 6.943 ( -0.539 -1.633 0.873) 1.929 ======================= Grid point 255 (105/171) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 11.116 -0.507 -6.275) 12.775 1.411 ( 12.126 -5.849 -6.319) 14.872 1.651 ( -7.836 3.628 -2.159) 8.901 1.806 ( -8.427 -3.335 -3.339) 9.658 1.888 ( 4.420 1.086 -8.021) 9.222 2.026 ( -3.314 0.852 -4.552) 5.695 2.050 ( -1.205 -0.846 -10.090) 10.197 2.178 ( -2.582 4.637 -0.062) 5.308 2.349 ( 7.283 -3.866 -7.481) 11.133 2.472 ( 0.120 2.147 0.310) 2.173 2.628 ( 2.080 1.092 -1.624) 2.856 2.704 ( -0.743 -4.024 -1.740) 4.446 2.740 ( 1.465 -0.513 2.670) 3.088 2.859 ( -3.920 -1.675 2.662) 5.025 2.965 ( 1.356 2.315 1.438) 3.044 3.044 ( 1.942 0.647 -0.753) 2.181 3.117 ( 2.685 -1.533 -1.285) 3.348 3.196 ( -2.621 -1.902 0.201) 3.244 3.336 ( 2.836 -0.517 1.688) 3.341 3.420 ( -1.013 -2.698 0.086) 2.883 3.547 ( 0.600 -0.952 -0.609) 1.279 3.620 ( -2.031 -2.415 0.881) 3.276 3.768 ( 1.074 5.740 -1.322) 5.987 3.833 ( -1.143 2.237 1.863) 3.128 3.944 ( 0.659 0.772 0.415) 1.096 4.012 ( -1.968 -0.397 1.195) 2.337 4.124 ( 3.832 0.481 2.024) 4.361 4.192 ( 0.016 0.455 2.305) 2.349 4.265 ( 0.756 -1.852 2.093) 2.896 4.296 ( -1.452 3.004 1.002) 3.484 4.396 ( 2.951 3.758 1.349) 4.965 4.501 ( 0.191 2.815 0.840) 2.944 4.556 ( 0.700 1.185 2.933) 3.240 4.655 ( -6.031 -0.411 0.873) 6.108 4.688 ( -2.773 -2.658 0.217) 3.847 4.728 ( -0.844 -1.408 -1.501) 2.225 5.628 ( 0.757 -0.925 -2.013) 2.341 5.665 ( -1.792 -0.084 -1.657) 2.442 6.779 ( 1.662 -0.271 -0.531) 1.766 6.819 ( -0.977 0.501 -0.217) 1.119 6.872 ( 1.399 0.157 2.122) 2.547 6.957 ( -1.264 -0.939 0.951) 1.839 ======================= Grid point 256 (106/171) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 15.942 -3.924 -6.950) 17.828 1.168 ( 17.479 -5.812 -5.366) 19.185 1.672 ( 2.952 2.246 -3.899) 5.382 1.752 ( 2.604 -1.704 -1.193) 3.333 1.805 ( -5.858 -0.303 -2.525) 6.387 1.902 ( 0.354 -1.286 -6.305) 6.444 1.997 ( -4.622 0.493 -2.979) 5.520 2.153 ( 2.186 -2.394 -3.134) 4.509 2.237 ( -7.301 4.187 -2.884) 8.897 2.491 ( -0.140 -0.900 0.851) 1.247 2.604 ( 2.395 2.010 -0.845) 3.239 2.661 ( -0.356 -2.384 -1.232) 2.707 2.762 ( 2.861 0.313 1.626) 3.306 2.919 ( -1.972 -1.417 2.720) 3.647 2.980 ( 1.848 -1.917 0.543) 2.717 3.029 ( 4.130 0.852 0.304) 4.228 3.094 ( -1.263 2.227 0.050) 2.561 3.194 ( -1.887 -1.749 -0.347) 2.596 3.337 ( 1.184 -0.834 0.179) 1.459 3.401 ( 0.428 -2.456 -0.466) 2.536 3.541 ( -1.083 2.985 -1.138) 3.373 3.632 ( -5.204 -3.465 0.062) 6.252 3.770 ( 3.266 5.031 -0.571) 6.025 3.891 ( 0.579 0.943 3.256) 3.439 3.949 ( -0.440 1.642 -0.130) 1.704 4.036 ( -3.644 0.241 -0.360) 3.670 4.135 ( 4.233 0.019 1.867) 4.626 4.234 ( 0.524 0.729 2.090) 2.274 4.288 ( 0.626 -0.108 1.892) 1.996 4.338 ( 0.855 3.505 1.106) 3.774 4.404 ( 1.805 3.299 -0.192) 3.766 4.530 ( 0.747 -0.497 1.723) 1.942 4.587 ( 0.822 -1.579 1.579) 2.380 4.655 ( -0.630 -2.159 -1.646) 2.787 4.674 ( -5.833 -1.899 -2.815) 6.750 4.766 ( -4.224 0.613 1.804) 4.634 5.590 ( 0.496 -0.915 -1.263) 1.637 5.657 ( -2.376 0.250 -0.914) 2.558 6.756 ( 1.932 -0.735 -0.331) 2.094 6.826 ( -1.061 0.828 -0.108) 1.350 6.885 ( 2.007 -1.021 1.046) 2.483 6.981 ( -1.690 0.266 0.840) 1.906 ======================= Grid point 257 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 19.319 -4.973 0.000) 19.949 0.960 ( 20.125 -4.829 0.000) 20.696 1.490 ( 25.359 -6.709 0.000) 26.231 1.729 ( 8.280 1.708 0.000) 8.455 1.809 ( -5.841 2.111 -0.000) 6.211 1.891 ( -10.410 -0.765 -0.000) 10.438 2.017 ( -8.390 0.377 -0.000) 8.398 2.142 ( -4.000 -0.277 -0.000) 4.009 2.285 ( -8.759 3.076 -0.000) 9.284 2.485 ( 0.130 -2.908 0.000) 2.911 2.592 ( 3.072 2.637 -0.000) 4.049 2.637 ( 1.601 -1.465 0.000) 2.170 2.768 ( 0.721 1.739 -0.000) 1.882 2.927 ( 4.147 -0.915 0.000) 4.247 2.974 ( -0.643 -1.717 0.000) 1.834 2.994 ( 2.138 -1.662 0.000) 2.708 3.142 ( -3.111 3.063 -0.000) 4.366 3.191 ( 0.976 -0.108 0.000) 0.982 3.327 ( -1.230 -1.657 0.000) 2.064 3.380 ( 0.800 -2.251 0.000) 2.388 3.561 ( -1.397 5.518 -0.000) 5.692 3.655 ( -6.414 -3.324 -0.000) 7.224 3.763 ( 4.376 3.430 -0.000) 5.560 3.917 ( 2.349 0.580 0.000) 2.419 3.964 ( -0.760 1.623 -0.000) 1.793 4.062 ( -5.189 -0.609 -0.000) 5.225 4.125 ( 3.191 -0.397 0.000) 3.216 4.252 ( 1.447 0.985 -0.000) 1.751 4.314 ( 0.262 3.845 -0.000) 3.854 4.354 ( 3.802 4.125 -0.000) 5.610 4.412 ( -0.464 1.117 -0.000) 1.210 4.513 ( 1.790 -5.597 0.000) 5.876 4.602 ( 1.437 -0.419 0.000) 1.497 4.636 ( -5.105 -5.496 0.000) 7.501 4.654 ( -1.943 0.957 -0.000) 2.166 4.814 ( -3.784 0.695 -0.000) 3.847 5.572 ( 0.134 -0.783 0.000) 0.795 5.669 ( -2.602 0.379 -0.000) 2.630 6.735 ( 2.038 -0.879 0.000) 2.219 6.838 ( -0.673 1.158 -0.000) 1.339 6.873 ( 1.603 -1.481 0.000) 2.182 7.005 ( -1.668 0.704 -0.000) 1.811 ======================= Grid point 264 (108/171) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.000 2.377 -3.587) 4.303 1.527 ( -0.000 1.839 -3.224) 3.712 1.596 ( -0.000 -5.424 -1.387) 5.599 1.764 ( -0.000 -3.921 -6.148) 7.291 1.916 ( 0.000 0.694 -9.540) 9.566 2.013 ( -0.000 -1.684 -3.595) 3.970 2.053 ( -0.000 -1.807 -10.268) 10.426 2.090 ( 0.000 4.336 -2.041) 4.792 2.406 ( 0.000 6.616 -1.786) 6.853 2.425 ( -0.000 3.315 -0.956) 3.450 2.669 ( 0.000 -1.600 -2.001) 2.562 2.746 ( -0.000 -6.818 -3.922) 7.866 2.779 ( -0.000 -3.235 5.053) 6.000 2.848 ( -0.000 -2.555 3.816) 4.592 2.950 ( -0.000 1.371 0.975) 1.682 3.049 ( -0.000 0.729 -0.561) 0.920 3.146 ( -0.000 2.025 0.267) 2.043 3.197 ( -0.000 -3.108 -2.134) 3.770 3.363 ( 0.000 -0.718 0.848) 1.111 3.444 ( -0.000 -2.351 -0.572) 2.420 3.611 ( 0.000 -5.333 -0.931) 5.414 3.613 ( -0.000 0.042 1.170) 1.170 3.717 ( -0.000 4.258 -0.455) 4.282 3.786 ( -0.000 3.193 2.496) 4.052 3.940 ( -0.000 0.423 -0.605) 0.738 4.010 ( -0.000 -2.075 0.173) 2.082 4.141 ( 0.000 6.171 0.322) 6.180 4.170 ( -0.000 0.203 2.676) 2.683 4.232 ( -0.000 3.111 -0.363) 3.132 4.301 ( -0.000 -3.094 1.561) 3.466 4.391 ( -0.000 2.628 3.304) 4.222 4.457 ( -0.000 3.639 1.195) 3.831 4.555 ( -0.000 1.276 4.477) 4.655 4.613 ( -0.000 -1.349 1.093) 1.736 4.680 ( -0.000 -0.878 0.078) 0.882 4.747 ( -0.000 -1.408 -1.735) 2.235 5.647 ( -0.000 -0.545 -2.281) 2.345 5.652 ( 0.000 -0.492 -1.646) 1.718 6.793 ( 0.000 0.252 -0.351) 0.432 6.807 ( -0.000 -0.079 -0.207) 0.222 6.877 ( -0.000 0.484 2.659) 2.703 6.962 ( -0.000 -1.175 0.488) 1.272 ======================= Grid point 266 (109/171) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 12.219 -0.834 -1.998) 12.409 1.460 ( 12.660 -7.312 -2.724) 14.871 1.528 ( -8.771 3.151 -2.988) 9.787 1.692 ( -11.765 -2.327 -3.449) 12.479 1.787 ( 0.817 2.018 -5.362) 5.787 1.887 ( 1.063 -0.577 -6.939) 7.043 1.991 ( -0.892 -0.300 0.623) 1.129 2.100 ( -5.105 3.687 -2.424) 6.747 2.340 ( 12.457 -1.553 -3.174) 12.948 2.458 ( -4.450 2.514 0.532) 5.138 2.617 ( 2.794 -0.879 -1.300) 3.205 2.667 ( -3.735 -5.008 -2.232) 6.634 2.830 ( 4.122 -1.947 3.598) 5.807 2.916 ( -0.865 -1.842 4.395) 4.843 2.964 ( -3.124 0.185 0.062) 3.130 3.057 ( 0.810 -0.802 0.359) 1.195 3.113 ( 3.152 0.708 -1.639) 3.622 3.173 ( -1.937 -0.471 -1.277) 2.367 3.371 ( 1.059 0.634 0.506) 1.333 3.407 ( 0.077 0.050 -2.183) 2.185 3.558 ( 2.435 -3.897 -0.592) 4.633 3.611 ( -3.804 -3.567 -0.939) 5.299 3.758 ( 2.614 4.144 2.049) 5.311 3.850 ( -2.529 3.080 1.791) 4.369 3.927 ( 0.137 1.553 -0.559) 1.656 3.997 ( -1.499 -0.213 -1.612) 2.212 4.181 ( 4.709 4.540 2.105) 6.872 4.224 ( -0.897 0.229 2.479) 2.646 4.265 ( -1.886 5.314 0.485) 5.660 4.298 ( -1.293 -2.669 -0.127) 2.968 4.431 ( 4.449 1.726 1.466) 4.993 4.501 ( -2.583 2.270 1.340) 3.691 4.612 ( 0.498 -1.126 2.266) 2.579 4.629 ( -1.921 -0.771 0.145) 2.075 4.686 ( -0.065 -1.307 -0.713) 1.490 4.713 ( -2.165 -0.764 -0.163) 2.302 5.609 ( 0.848 -0.662 -1.256) 1.654 5.629 ( -1.523 -0.184 -1.247) 1.977 6.785 ( 1.305 -0.236 -0.103) 1.330 6.805 ( -0.990 0.174 -0.282) 1.044 6.916 ( 1.094 -0.123 1.917) 2.210 6.963 ( -0.952 -0.635 -0.003) 1.144 ======================= Grid point 267 (110/171) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 16.883 -4.717 0.000) 17.530 1.280 ( 17.543 -6.322 0.000) 18.648 1.609 ( -10.514 3.518 -0.000) 11.087 1.715 ( 0.698 0.812 -0.000) 1.070 1.759 ( -9.800 -1.720 -0.000) 9.950 1.838 ( -0.488 3.841 -0.000) 3.872 2.002 ( 2.712 -2.779 0.000) 3.883 2.113 ( -5.318 -0.897 -0.000) 5.393 2.200 ( 9.692 -1.010 0.000) 9.744 2.496 ( -2.988 -1.017 -0.000) 3.156 2.595 ( 2.255 2.868 -0.000) 3.649 2.651 ( -2.392 -2.531 0.000) 3.483 2.812 ( 6.097 -0.847 0.000) 6.156 2.957 ( -0.158 -1.481 0.000) 1.489 2.992 ( -2.330 -2.866 0.000) 3.694 3.039 ( -3.010 0.513 -0.000) 3.053 3.088 ( 5.340 1.095 0.000) 5.451 3.174 ( -2.729 -0.033 -0.000) 2.729 3.361 ( 2.133 -1.589 0.000) 2.660 3.395 ( -0.020 1.987 -0.000) 1.987 3.524 ( 1.131 -1.317 0.000) 1.736 3.613 ( -5.660 -4.190 0.000) 7.042 3.772 ( 4.397 4.329 -0.000) 6.170 3.907 ( -3.651 2.840 -0.000) 4.626 3.939 ( 1.357 1.256 -0.000) 1.849 3.990 ( -3.879 0.644 -0.000) 3.932 4.185 ( 5.310 1.521 0.000) 5.523 4.249 ( 1.640 2.234 -0.000) 2.771 4.286 ( -2.542 -1.278 -0.000) 2.845 4.330 ( -2.561 4.566 -0.000) 5.236 4.413 ( 5.459 1.869 0.000) 5.769 4.556 ( -3.842 0.962 -0.000) 3.961 4.607 ( -0.389 -3.146 0.000) 3.170 4.640 ( -0.996 -2.965 0.000) 3.128 4.646 ( 1.668 -0.460 0.000) 1.730 4.749 ( -4.132 0.890 -0.000) 4.227 5.588 ( 0.779 -0.858 0.000) 1.159 5.632 ( -2.216 0.205 -0.000) 2.225 6.771 ( 1.765 -0.681 0.000) 1.891 6.813 ( -1.198 0.598 -0.000) 1.339 6.916 ( 2.119 -1.147 0.000) 2.410 6.974 ( -1.844 0.377 -0.000) 1.882 ======================= Grid point 272 (111/171) ======================= q-point: (-0.70 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.232 0.000 0.491) 0.543 1.630 ( 4.356 0.000 2.424) 4.985 1.789 ( 4.768 0.000 -11.212) 12.184 1.935 ( -2.893 0.000 -7.556) 8.091 2.033 ( -0.322 0.000 -2.167) 2.190 2.039 ( -5.611 -0.000 -1.224) 5.743 2.256 ( 0.252 -0.000 1.193) 1.219 2.270 ( 0.699 0.000 1.373) 1.541 2.543 ( -3.304 -0.000 -4.164) 5.316 2.559 ( 2.432 0.000 -1.512) 2.863 2.678 ( 3.570 0.000 -1.829) 4.011 2.708 ( 2.371 0.000 0.715) 2.476 2.764 ( -5.180 0.000 -0.810) 5.243 2.779 ( -0.092 -0.000 -2.469) 2.471 2.970 ( 2.766 0.000 -0.187) 2.772 3.012 ( 0.422 0.000 2.015) 2.059 3.192 ( -4.704 -0.000 2.516) 5.334 3.214 ( -3.175 0.000 -1.159) 3.380 3.328 ( -5.113 0.000 -0.694) 5.160 3.335 ( 1.014 0.000 -1.288) 1.639 3.508 ( 0.732 0.000 1.620) 1.778 3.580 ( -3.432 0.000 -0.294) 3.444 3.710 ( 3.019 0.000 0.001) 3.019 3.820 ( 2.232 0.000 -0.241) 2.245 3.894 ( -1.912 0.000 0.819) 2.080 3.992 ( -3.916 0.000 1.499) 4.193 4.004 ( 0.527 -0.000 3.572) 3.611 4.114 ( 0.004 0.000 -0.032) 0.033 4.209 ( 0.465 0.000 -0.525) 0.701 4.237 ( -3.357 0.000 0.929) 3.483 4.349 ( 1.476 0.000 2.128) 2.590 4.446 ( 0.819 0.000 -1.934) 2.100 4.453 ( 0.264 -0.000 -3.752) 3.761 4.691 ( -0.973 0.000 1.785) 2.033 4.728 ( 8.257 -0.000 2.209) 8.547 4.798 ( 3.945 0.000 1.889) 4.374 5.695 ( 0.233 0.000 -0.139) 0.271 5.733 ( -0.024 0.000 -1.287) 1.287 6.781 ( -0.330 -0.000 1.081) 1.130 6.793 ( -0.968 0.000 -1.102) 1.467 6.813 ( 1.173 0.000 0.828) 1.435 6.961 ( -0.108 0.000 0.761) 0.769 ======================= Grid point 277 (112/171) ======================= q-point: (-0.30 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 1.710 -2.172) 2.764 1.399 ( -0.000 1.710 2.172) 2.764 1.575 ( 0.000 -5.793 -0.216) 5.797 1.575 ( -0.000 -5.793 0.216) 5.797 1.785 ( 0.000 0.461 -4.040) 4.066 1.785 ( -0.000 0.461 4.040) 4.066 2.021 ( 0.000 1.401 -1.750) 2.242 2.021 ( -0.000 1.401 1.750) 2.242 2.394 ( 0.000 3.166 -0.037) 3.167 2.394 ( -0.000 3.166 0.037) 3.167 2.648 ( 0.000 -5.257 -0.620) 5.293 2.648 ( -0.000 -5.257 0.620) 5.293 2.918 ( 0.000 -1.673 -2.185) 2.752 2.918 ( -0.000 -1.673 2.185) 2.752 3.022 ( -0.000 -2.878 -5.299) 6.030 3.022 ( -0.000 -2.878 5.299) 6.030 3.132 ( 0.000 1.708 -2.643) 3.147 3.132 ( -0.000 1.708 2.643) 3.147 3.368 ( 0.000 2.959 -0.936) 3.103 3.368 ( 0.000 2.959 0.936) 3.103 3.600 ( 0.000 -4.607 -0.047) 4.607 3.600 ( -0.000 -4.607 0.047) 4.607 3.800 ( 0.000 2.750 -2.369) 3.630 3.800 ( -0.000 2.750 2.369) 3.630 3.949 ( 0.000 0.412 -2.931) 2.960 3.949 ( -0.000 0.412 2.931) 2.960 4.196 ( 0.000 7.150 -0.744) 7.188 4.196 ( -0.000 7.150 0.744) 7.188 4.287 ( -0.000 -2.768 -2.201) 3.536 4.287 ( -0.000 -2.768 2.201) 3.536 4.472 ( 0.000 1.451 -0.578) 1.562 4.472 ( -0.000 1.451 0.578) 1.562 4.638 ( 0.000 -1.223 -0.111) 1.228 4.638 ( -0.000 -1.223 0.111) 1.228 4.694 ( 0.000 -0.326 -0.488) 0.587 4.694 ( -0.000 -0.326 0.488) 0.587 5.609 ( 0.000 -0.351 -0.219) 0.413 5.609 ( -0.000 -0.351 0.219) 0.413 6.795 ( 0.000 -0.083 -0.258) 0.271 6.795 ( -0.000 -0.083 0.258) 0.271 6.950 ( 0.000 -0.349 -1.270) 1.317 6.950 ( -0.000 -0.349 1.270) 1.317 ======================= Grid point 284 (113/171) ======================= q-point: ( 0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.668 5.754 -4.618) 7.846 1.613 ( -2.989 8.400 -6.733) 11.173 1.631 ( 4.431 -4.070 -8.758) 10.626 1.790 ( -4.071 -8.534 -9.223) 13.209 2.001 ( -0.100 0.139 -0.954) 0.969 2.018 ( 1.167 -2.675 -0.468) 2.956 2.258 ( 3.661 4.655 -1.088) 6.021 2.315 ( 2.965 -4.484 -0.007) 5.376 2.422 ( 1.553 2.101 -6.150) 6.682 2.559 ( -0.422 0.374 -0.005) 0.564 2.579 ( 0.088 3.135 -7.870) 8.472 2.669 ( -0.227 -1.966 -2.906) 3.516 2.779 ( -2.128 -1.104 3.103) 3.921 2.815 ( -1.361 0.268 2.279) 2.668 2.974 ( 0.455 4.984 -0.463) 5.026 3.017 ( -1.969 -2.334 -1.454) 3.382 3.120 ( -5.563 2.852 -3.008) 6.937 3.181 ( -2.303 -4.640 -1.475) 5.386 3.282 ( -4.662 2.985 0.696) 5.580 3.332 ( -3.309 -3.567 0.619) 4.905 3.545 ( -2.683 -0.547 -0.674) 2.820 3.560 ( 0.226 -0.327 3.043) 3.069 3.730 ( 1.702 1.080 0.455) 2.067 3.817 ( 2.492 -1.937 -1.787) 3.627 3.915 ( -2.201 0.608 2.776) 3.594 3.968 ( -2.744 -0.332 -1.238) 3.029 4.063 ( -1.350 1.193 3.250) 3.716 4.119 ( -0.883 -1.065 0.771) 1.584 4.230 ( 1.123 0.018 2.068) 2.353 4.260 ( -0.255 -1.017 2.873) 3.058 4.392 ( 2.787 3.753 1.024) 4.786 4.433 ( 1.019 -1.865 0.084) 2.126 4.454 ( 1.067 -1.870 2.253) 3.117 4.698 ( -2.737 -0.139 0.890) 2.882 4.818 ( 8.165 1.484 1.677) 8.466 4.864 ( 7.071 -0.207 1.187) 7.173 5.688 ( 0.526 0.764 -0.886) 1.283 5.710 ( 0.629 -0.535 -1.654) 1.849 6.772 ( -0.839 0.257 -0.522) 1.021 6.801 ( -0.901 -0.189 1.599) 1.845 6.832 ( 1.278 -0.110 0.408) 1.346 6.971 ( -0.387 0.162 0.664) 0.786 ======================= Grid point 285 (114/171) ======================= q-point: (-0.60 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 2.494 0.000 -8.739) 9.088 1.412 ( -4.891 -0.000 -3.170) 5.829 1.601 ( -4.675 0.000 -4.466) 6.465 1.627 ( -9.136 -0.000 -11.105) 14.380 1.969 ( 4.069 -0.000 0.066) 4.069 2.010 ( -2.899 0.000 -1.757) 3.390 2.162 ( 8.145 0.000 -7.020) 10.753 2.197 ( 7.708 0.000 -4.653) 9.004 2.379 ( 2.948 0.000 1.240) 3.198 2.457 ( 4.724 0.000 -4.656) 6.633 2.597 ( -5.034 0.000 0.650) 5.075 2.674 ( -8.141 0.000 -0.085) 8.141 2.832 ( -0.332 0.000 -0.851) 0.913 2.835 ( -3.222 0.000 1.497) 3.552 2.974 ( -4.410 0.000 -1.710) 4.730 3.018 ( 2.477 -0.000 2.208) 3.318 3.106 ( -8.497 -0.000 -4.461) 9.597 3.136 ( 2.885 0.000 -1.823) 3.413 3.353 ( -4.290 -0.000 0.322) 4.302 3.359 ( -3.937 0.000 1.418) 4.184 3.574 ( -4.480 0.000 1.414) 4.698 3.607 ( 0.061 0.000 2.405) 2.406 3.750 ( 0.299 0.000 2.183) 2.203 3.762 ( 2.688 0.000 -1.530) 3.093 3.938 ( -1.024 0.000 -3.007) 3.176 3.975 ( -2.071 0.000 1.922) 2.825 4.112 ( 0.693 0.000 1.453) 1.610 4.150 ( -0.534 0.000 2.448) 2.506 4.234 ( 3.116 0.000 0.472) 3.152 4.312 ( -0.471 0.000 2.827) 2.866 4.403 ( 1.481 0.000 0.949) 1.759 4.423 ( 1.079 -0.000 1.836) 2.130 4.524 ( 0.450 0.000 5.283) 5.302 4.719 ( -0.976 0.000 0.034) 0.977 4.783 ( 8.285 0.000 0.480) 8.299 4.814 ( 6.346 -0.000 -1.340) 6.486 5.668 ( 0.751 0.000 -1.298) 1.500 5.669 ( 0.967 0.000 -2.090) 2.303 6.774 ( -0.792 0.000 0.035) 0.793 6.816 ( 0.612 0.000 -0.198) 0.643 6.856 ( -1.033 0.000 2.613) 2.810 6.979 ( -0.104 0.000 0.005) 0.104 ======================= Grid point 296 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -4.144 12.152 -7.183) 14.712 1.360 ( -6.176 12.618 -11.154) 17.938 1.536 ( -1.191 -8.407 -8.293) 11.869 1.655 ( -4.873 -10.440 -9.451) 14.901 1.956 ( -0.982 5.378 -4.283) 6.945 2.068 ( 4.309 -4.536 1.316) 6.393 2.227 ( 5.737 4.151 -2.592) 7.540 2.312 ( 7.202 -0.534 -4.932) 8.746 2.390 ( -0.769 5.801 -0.778) 5.903 2.441 ( 2.865 0.000 -2.059) 3.528 2.563 ( -1.350 0.234 0.445) 1.441 2.649 ( -1.636 -5.643 -1.657) 6.104 2.746 ( -6.849 1.604 -3.728) 7.961 2.822 ( -1.462 0.198 1.018) 1.792 2.927 ( -1.942 0.626 1.893) 2.783 2.982 ( -7.362 -2.737 -4.426) 9.015 3.055 ( 1.942 1.661 1.417) 2.922 3.210 ( 0.146 -4.067 -0.452) 4.095 3.251 ( -2.265 1.941 1.209) 3.218 3.348 ( -3.940 -4.303 1.390) 5.998 3.515 ( -3.434 -0.022 -0.355) 3.452 3.608 ( -1.477 -1.771 1.775) 2.910 3.734 ( 0.781 2.240 0.151) 2.377 3.822 ( 2.088 -1.725 -0.696) 2.796 3.925 ( -2.322 0.448 -0.007) 2.365 3.951 ( -0.666 -1.567 0.611) 1.809 4.091 ( -1.299 2.058 2.845) 3.744 4.145 ( -1.610 -1.446 2.277) 3.142 4.274 ( 1.288 0.830 2.000) 2.519 4.319 ( 1.351 -1.294 2.332) 2.989 4.402 ( 2.201 2.767 0.708) 3.606 4.450 ( 0.263 -1.348 0.626) 1.509 4.544 ( 1.665 -0.652 4.986) 5.297 4.695 ( -2.503 -0.023 0.984) 2.689 4.863 ( 6.220 3.460 -0.513) 7.136 4.935 ( 9.181 -1.816 -0.236) 9.362 5.662 ( 0.679 1.721 -1.475) 2.366 5.697 ( 1.331 -1.285 -1.350) 2.290 6.763 ( -0.340 0.637 0.208) 0.751 6.821 ( -0.650 -0.027 1.176) 1.344 6.848 ( 0.610 -0.139 0.711) 0.947 6.973 ( -0.978 -0.114 -0.015) 0.985 ======================= Grid point 297 (116/171) ======================= q-point: ( 0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.793 10.939 -5.731) 13.247 1.318 ( -6.089 8.592 -5.649) 11.951 1.394 ( -8.948 -7.254 -5.666) 12.837 1.504 ( -6.225 -10.074 -5.573) 13.089 1.963 ( 1.451 5.793 -0.060) 5.972 2.029 ( 4.813 -3.756 0.521) 6.127 2.153 ( 8.429 1.699 -1.773) 8.780 2.184 ( 8.899 0.823 -3.490) 9.594 2.369 ( 1.799 8.472 -3.311) 9.272 2.440 ( 2.322 -3.249 1.523) 4.274 2.568 ( -2.799 2.131 -0.729) 3.593 2.634 ( -7.541 -7.574 -0.137) 10.689 2.766 ( -7.416 3.117 -1.275) 8.144 2.816 ( -5.377 -3.634 -1.472) 6.654 2.962 ( -3.917 -0.157 -0.873) 4.016 2.985 ( -1.060 -1.181 2.648) 3.088 3.077 ( 1.127 3.704 -0.506) 3.905 3.133 ( 1.548 -5.690 -1.877) 6.188 3.315 ( -3.169 5.044 0.264) 5.963 3.367 ( -2.009 -3.653 0.533) 4.203 3.568 ( -5.010 1.480 1.915) 5.564 3.627 ( -2.730 -2.106 0.338) 3.465 3.746 ( 1.414 3.778 -0.294) 4.045 3.796 ( 1.289 -4.581 0.560) 4.792 3.914 ( -0.024 0.054 0.410) 0.414 3.973 ( -2.735 -0.579 -0.405) 2.825 4.141 ( 1.552 1.701 1.832) 2.942 4.188 ( -0.499 -1.256 1.630) 2.117 4.275 ( 3.469 -0.299 1.499) 3.791 4.341 ( 0.596 0.308 0.406) 0.784 4.415 ( 0.395 3.009 0.777) 3.133 4.464 ( -0.684 -3.113 1.528) 3.534 4.621 ( 1.886 0.593 5.088) 5.458 4.717 ( 0.112 0.214 0.375) 0.446 4.813 ( 6.169 2.113 -2.082) 6.845 4.837 ( 8.152 -1.796 -2.059) 8.598 5.643 ( 1.115 1.520 -1.102) 2.184 5.659 ( 1.425 -1.265 -1.059) 2.180 6.776 ( -0.216 0.551 0.671) 0.895 6.812 ( 0.772 -0.350 -0.838) 1.192 6.892 ( -1.494 0.326 2.720) 3.120 6.968 ( -0.796 -0.357 -1.093) 1.398 ======================= Grid point 298 (117/171) ======================= q-point: ( 0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -5.234 -6.247 0.000) 8.149 1.281 ( -5.234 6.247 -0.000) 8.149 1.448 ( -9.751 -6.284 0.000) 11.601 1.448 ( -9.751 6.284 -0.000) 11.601 1.971 ( 4.899 -5.107 0.000) 7.076 1.971 ( 4.899 5.107 -0.000) 7.076 2.090 ( 8.690 -0.736 0.000) 8.721 2.090 ( 8.690 0.736 0.000) 8.721 2.385 ( 2.892 -9.323 0.000) 9.761 2.385 ( 2.892 9.323 -0.000) 9.761 2.634 ( -6.926 -7.216 0.000) 10.002 2.634 ( -6.926 7.216 -0.000) 10.002 2.836 ( -8.420 -4.462 -0.000) 9.529 2.836 ( -8.420 4.462 -0.000) 9.529 2.983 ( -0.679 -0.424 0.000) 0.800 2.983 ( -0.679 0.424 0.000) 0.800 3.092 ( -0.095 -3.357 0.000) 3.359 3.092 ( -0.095 3.357 -0.000) 3.359 3.353 ( -0.370 -4.242 0.000) 4.258 3.353 ( -0.370 4.242 -0.000) 4.258 3.635 ( -3.281 -3.070 0.000) 4.493 3.635 ( -3.281 3.070 -0.000) 4.493 3.758 ( 0.850 -4.276 0.000) 4.360 3.758 ( 0.850 4.276 -0.000) 4.360 3.954 ( -0.916 -1.042 0.000) 1.387 3.954 ( -0.916 1.042 0.000) 1.387 4.161 ( 2.986 -3.546 0.000) 4.636 4.161 ( 2.986 3.546 -0.000) 4.636 4.310 ( 0.605 -0.722 0.000) 0.942 4.310 ( 0.605 0.722 0.000) 0.942 4.456 ( -0.561 -4.704 0.000) 4.737 4.456 ( -0.561 4.704 -0.000) 4.737 4.682 ( 2.529 -0.931 0.000) 2.695 4.682 ( 2.529 0.931 0.000) 2.695 4.765 ( 4.734 -1.688 0.000) 5.026 4.765 ( 4.734 1.688 0.000) 5.026 5.633 ( 1.266 -1.198 0.000) 1.743 5.633 ( 1.266 1.198 -0.000) 1.743 6.792 ( 0.001 -0.705 0.000) 0.705 6.792 ( 0.001 0.705 0.000) 0.705 6.944 ( -0.868 -0.706 0.000) 1.119 6.944 ( -0.868 0.706 0.000) 1.119 ======================= Grid point 308 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -6.038 14.727 -9.163) 18.366 1.050 ( -8.071 16.639 -7.700) 20.032 1.433 ( -3.410 -10.021 -7.418) 12.926 1.546 ( -6.087 -5.277 -4.931) 9.445 1.756 ( -7.317 16.592 -5.960) 19.088 2.148 ( 6.904 0.072 1.633) 7.095 2.231 ( 6.356 -0.072 -0.548) 6.380 2.275 ( 5.656 0.942 -3.941) 6.958 2.362 ( 5.296 0.737 -0.157) 5.349 2.500 ( 3.664 -1.600 2.331) 4.628 2.558 ( -0.530 -0.327 0.090) 0.630 2.631 ( -5.762 -1.024 -0.185) 5.855 2.675 ( -3.347 -7.688 -1.606) 8.538 2.784 ( -4.019 -3.159 -3.752) 6.341 2.910 ( -4.130 -0.633 1.267) 4.366 2.990 ( -0.655 0.176 3.229) 3.299 3.061 ( -2.289 1.084 0.434) 2.569 3.192 ( 2.653 -0.328 -2.407) 3.597 3.268 ( 0.659 -3.477 -0.230) 3.547 3.375 ( -2.135 -2.521 1.721) 3.725 3.485 ( -5.113 0.348 0.221) 5.130 3.618 ( -3.965 -4.473 -0.161) 5.980 3.722 ( 1.030 2.976 -0.251) 3.159 3.846 ( -0.263 -1.944 1.318) 2.364 3.909 ( -1.576 0.245 -0.086) 1.597 3.958 ( -0.295 -1.827 -0.584) 1.940 4.124 ( -0.682 2.310 2.998) 3.846 4.179 ( -1.577 -0.403 1.968) 2.554 4.298 ( 1.309 2.239 0.993) 2.777 4.359 ( 2.304 -0.532 0.263) 2.379 4.413 ( 1.676 0.326 0.170) 1.716 4.474 ( -2.074 -1.510 1.743) 3.102 4.632 ( 1.708 1.778 4.064) 4.753 4.700 ( -0.596 2.701 1.436) 3.116 4.857 ( 3.691 1.754 -1.775) 4.455 4.995 ( 10.721 -2.810 -2.012) 11.264 5.635 ( 0.766 1.955 -0.959) 2.309 5.695 ( 1.516 -1.379 -0.909) 2.242 6.768 ( 0.825 1.430 0.819) 1.843 6.829 ( 0.635 -0.039 -0.138) 0.651 6.867 ( -0.938 0.245 1.458) 1.751 6.959 ( -1.947 -1.193 -0.735) 2.399 ======================= Grid point 309 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -8.901 14.224 -0.000) 16.780 1.145 ( -7.695 15.867 -0.000) 17.635 1.343 ( -7.322 -11.006 0.000) 13.219 1.485 ( -5.120 -12.555 0.000) 13.559 1.885 ( -7.038 18.668 -0.000) 19.950 2.093 ( 9.880 -1.392 0.000) 9.978 2.177 ( 7.159 -0.063 0.000) 7.160 2.203 ( 6.967 1.625 0.000) 7.154 2.332 ( 5.549 3.484 -0.000) 6.552 2.504 ( 2.850 -3.868 0.000) 4.805 2.531 ( -0.088 0.599 -0.000) 0.605 2.635 ( -6.462 -8.980 0.000) 11.063 2.694 ( -7.035 1.398 -0.000) 7.172 2.766 ( -8.502 -4.558 -0.000) 9.646 2.952 ( -2.454 0.721 -0.000) 2.557 3.041 ( -0.250 3.714 -0.000) 3.722 3.045 ( 2.948 -5.597 0.000) 6.325 3.138 ( -1.239 -2.668 0.000) 2.942 3.274 ( -0.724 4.051 -0.000) 4.115 3.384 ( -1.166 -3.238 0.000) 3.442 3.539 ( -5.502 2.406 -0.000) 6.005 3.618 ( -4.583 -4.414 0.000) 6.363 3.731 ( 1.373 3.634 -0.000) 3.884 3.841 ( 0.869 -5.391 0.000) 5.460 3.916 ( -1.304 1.320 -0.000) 1.856 3.951 ( -1.888 -1.538 0.000) 2.436 4.163 ( 1.734 2.302 -0.000) 2.882 4.204 ( -1.087 -0.712 0.000) 1.299 4.306 ( 1.919 2.339 -0.000) 3.025 4.349 ( 1.642 -1.105 0.000) 1.979 4.405 ( 0.698 1.986 -0.000) 2.105 4.491 ( -2.221 -4.016 0.000) 4.589 4.681 ( 1.958 3.164 -0.000) 3.721 4.725 ( 1.886 2.004 -0.000) 2.752 4.812 ( 4.366 0.794 0.000) 4.437 4.882 ( 9.559 -2.408 0.000) 9.857 5.631 ( 1.083 1.843 -0.000) 2.138 5.668 ( 1.652 -1.398 0.000) 2.164 6.780 ( 0.664 1.660 -0.000) 1.788 6.811 ( 0.854 -1.098 0.000) 1.391 6.907 ( -1.710 1.730 -0.000) 2.433 6.950 ( -1.537 -2.048 0.000) 2.560 ======================= Grid point 319 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -7.317 17.445 -0.000) 18.917 0.835 ( -7.041 20.011 -0.000) 21.214 1.362 ( -9.421 24.246 -0.000) 26.012 1.406 ( -4.705 -7.577 0.000) 8.919 1.646 ( -2.242 -6.906 0.000) 7.261 2.191 ( 0.318 6.870 -0.000) 6.877 2.236 ( 9.287 0.746 0.000) 9.317 2.318 ( 5.534 -4.781 0.000) 7.313 2.390 ( 4.315 1.686 0.000) 4.632 2.557 ( 2.107 -0.681 0.000) 2.214 2.573 ( 1.543 -0.607 0.000) 1.658 2.602 ( -3.617 -1.747 -0.000) 4.017 2.695 ( -0.545 -9.385 0.000) 9.401 2.747 ( -2.700 -7.634 0.000) 8.098 2.908 ( -2.587 0.480 -0.000) 2.631 2.988 ( -3.057 2.281 -0.000) 3.815 3.035 ( -5.684 2.532 -0.000) 6.223 3.217 ( 7.536 -2.886 0.000) 8.069 3.294 ( 1.539 -4.718 0.000) 4.963 3.387 ( -2.101 -0.456 -0.000) 2.150 3.453 ( -5.474 -2.246 -0.000) 5.917 3.614 ( -4.060 -5.028 0.000) 6.462 3.711 ( 0.947 2.380 -0.000) 2.562 3.859 ( -4.745 -2.726 0.000) 5.473 3.901 ( 1.071 0.711 -0.000) 1.286 3.956 ( -0.582 -0.629 0.000) 0.857 4.135 ( -0.079 2.762 -0.000) 2.763 4.186 ( -1.579 0.184 -0.000) 1.590 4.307 ( 1.816 1.916 -0.000) 2.640 4.369 ( 1.857 0.981 0.000) 2.100 4.431 ( 1.189 -1.997 0.000) 2.324 4.480 ( -3.226 -0.580 -0.000) 3.277 4.666 ( 1.384 4.172 -0.000) 4.396 4.688 ( 0.071 5.072 -0.000) 5.072 4.858 ( 1.788 -1.117 0.000) 2.108 5.065 ( 11.760 -3.316 0.000) 12.218 5.621 ( 0.546 1.993 -0.000) 2.067 5.704 ( 1.214 -1.295 0.000) 1.775 6.780 ( 2.685 1.930 -0.000) 3.306 6.833 ( 0.938 0.337 0.000) 0.996 6.870 ( -1.252 0.203 -0.000) 1.268 6.943 ( -3.358 -2.202 0.000) 4.016 ======================= Grid point 330 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 18.714 -0.000) 18.714 0.785 ( 0.000 21.609 -0.000) 21.609 1.287 ( 0.000 32.427 -0.000) 32.427 1.380 ( -0.000 -11.065 0.000) 11.065 1.631 ( -0.000 -8.651 0.000) 8.651 2.190 ( 0.000 7.328 -0.000) 7.328 2.319 ( 0.000 1.509 -0.000) 1.509 2.348 ( -0.000 -2.867 0.000) 2.867 2.418 ( 0.000 2.099 -0.000) 2.099 2.552 ( -0.000 -1.636 0.000) 1.636 2.583 ( -0.000 -1.317 0.000) 1.317 2.588 ( -0.000 -1.981 0.000) 1.981 2.714 ( -0.000 -8.250 0.000) 8.250 2.716 ( -0.000 -18.937 0.000) 18.937 2.898 ( 0.000 4.513 -0.000) 4.513 2.950 ( 0.000 4.131 -0.000) 4.131 3.001 ( 0.000 4.289 -0.000) 4.289 3.293 ( 0.000 0.713 -0.000) 0.713 3.301 ( -0.000 -8.896 0.000) 8.896 3.359 ( -0.000 -0.687 0.000) 0.687 3.407 ( -0.000 -2.514 0.000) 2.514 3.579 ( -0.000 -5.422 0.000) 5.422 3.721 ( 0.000 2.282 -0.000) 2.282 3.820 ( -0.000 -0.721 0.000) 0.721 3.916 ( 0.000 1.175 -0.000) 1.175 3.944 ( 0.000 0.301 -0.000) 0.301 4.150 ( 0.000 2.681 -0.000) 2.681 4.160 ( 0.000 0.099 -0.000) 0.099 4.320 ( 0.000 1.422 -0.000) 1.422 4.389 ( 0.000 1.080 -0.000) 1.080 4.431 ( -0.000 -3.242 0.000) 3.242 4.458 ( 0.000 1.000 -0.000) 1.000 4.680 ( 0.000 2.191 -0.000) 2.191 4.685 ( 0.000 7.850 -0.000) 7.850 4.870 ( -0.000 -0.760 0.000) 0.760 5.157 ( -0.000 -7.231 0.000) 7.231 5.624 ( 0.000 2.096 -0.000) 2.096 5.713 ( -0.000 -1.387 0.000) 1.387 6.813 ( 0.000 0.723 -0.000) 0.723 6.837 ( 0.000 1.472 -0.000) 1.472 6.865 ( -0.000 -1.134 0.000) 1.134 6.903 ( -0.000 -0.893 0.000) 0.893 ======================= Grid point 331 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -1.879 15.753 12.471) 20.179 0.971 ( -3.405 18.786 7.233) 20.416 1.405 ( -0.959 -10.478 9.121) 13.925 1.476 ( -3.307 3.264 4.786) 6.671 1.693 ( -2.169 13.206 7.624) 15.403 2.199 ( 1.129 3.345 -2.406) 4.272 2.309 ( 4.208 -1.656 -0.386) 4.539 2.343 ( 3.980 0.486 2.838) 4.912 2.412 ( 1.271 -0.347 -1.446) 1.956 2.525 ( -0.568 -2.350 -1.345) 2.767 2.544 ( -3.345 -1.909 -1.471) 4.123 2.571 ( 0.680 -1.540 0.287) 1.707 2.672 ( 2.304 -9.175 3.415) 10.058 2.727 ( -4.398 -9.505 5.395) 11.781 2.889 ( 0.710 3.269 -2.813) 4.370 2.955 ( -3.480 1.644 -3.033) 4.901 3.042 ( -0.146 4.955 0.770) 5.016 3.246 ( 3.759 -3.510 0.149) 5.145 3.273 ( -0.307 -3.460 -0.963) 3.605 3.343 ( -2.105 -2.569 -2.138) 3.950 3.430 ( -2.133 0.395 2.023) 2.966 3.565 ( -2.825 -5.432 0.797) 6.175 3.740 ( 1.179 2.938 0.565) 3.216 3.824 ( -2.086 -1.100 0.087) 2.359 3.908 ( 1.201 1.415 -0.808) 2.024 3.954 ( -0.693 -0.450 0.522) 0.978 4.124 ( 1.127 1.744 -3.092) 3.724 4.154 ( -2.129 -0.327 -2.221) 3.094 4.309 ( 0.331 1.896 -1.752) 2.603 4.392 ( 2.189 -1.449 -0.440) 2.661 4.420 ( -0.922 -0.347 0.416) 1.070 4.453 ( -0.520 0.212 -0.656) 0.864 4.653 ( 1.144 2.007 -3.672) 4.338 4.690 ( -0.655 3.401 -3.261) 4.757 4.894 ( 1.434 3.085 2.363) 4.142 5.110 ( 4.991 -6.163 0.866) 7.977 5.643 ( 0.275 2.119 0.866) 2.306 5.711 ( 0.633 -1.658 0.894) 1.987 6.788 ( 2.026 1.181 -1.760) 2.932 6.818 ( -1.952 0.664 -1.775) 2.721 6.880 ( 2.613 -0.486 1.084) 2.870 6.923 ( -3.245 -0.891 1.077) 3.533 ======================= Grid point 332 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -1.850 14.429 8.632) 16.916 1.292 ( -3.624 14.288 12.600) 19.392 1.528 ( -0.060 -9.028 10.016) 13.484 1.585 ( -4.743 -10.306 10.124) 15.205 1.948 ( -0.201 10.692 8.243) 13.503 2.128 ( 3.805 -4.815 -2.743) 6.722 2.282 ( 2.767 1.596 1.235) 3.425 2.363 ( -1.135 -0.029 1.080) 1.567 2.406 ( 4.148 3.025 1.654) 5.394 2.485 ( 2.297 -2.201 -0.682) 3.254 2.556 ( 1.558 1.584 1.859) 2.897 2.619 ( -5.093 2.248 3.220) 6.432 2.685 ( 0.590 -5.611 4.671) 7.325 2.799 ( -3.134 -2.504 2.043) 4.502 2.871 ( -3.921 0.672 -0.539) 4.014 2.924 ( -2.380 -4.028 -0.642) 4.722 3.067 ( 0.054 5.472 -1.422) 5.654 3.210 ( 0.763 -2.178 -1.723) 2.880 3.239 ( -0.835 -2.601 -0.992) 2.906 3.300 ( -2.771 -3.746 -1.896) 5.030 3.484 ( -0.749 -0.172 2.644) 2.754 3.575 ( -3.075 -2.882 0.163) 4.217 3.751 ( 1.741 2.376 0.167) 2.950 3.836 ( -1.162 -0.805 0.598) 1.535 3.899 ( 0.189 2.118 -0.823) 2.280 3.955 ( 0.392 -1.653 -0.062) 1.700 4.072 ( -0.896 1.706 -3.616) 4.097 4.120 ( -2.069 -1.948 -2.253) 3.626 4.281 ( 0.017 2.054 -2.864) 3.525 4.335 ( 0.695 -2.334 -3.212) 4.031 4.430 ( 1.926 1.988 0.307) 2.785 4.454 ( 0.249 -0.282 0.396) 0.546 4.573 ( 2.461 -0.010 -4.808) 5.401 4.657 ( -3.014 0.118 -2.638) 4.007 4.933 ( 3.797 5.001 0.950) 6.351 5.044 ( 6.210 -3.789 -0.865) 7.326 5.671 ( 0.470 1.958 1.278) 2.385 5.713 ( 0.891 -1.695 1.098) 2.208 6.764 ( 0.551 0.715 -0.660) 1.118 6.803 ( -1.685 0.127 -1.753) 2.435 6.872 ( 2.587 -0.150 0.418) 2.625 6.950 ( -2.300 -0.256 0.225) 2.325 ======================= Grid point 333 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.042 6.651 6.635) 9.395 1.564 ( -3.644 11.198 7.277) 13.844 1.666 ( -0.091 -4.073 11.455) 12.158 1.737 ( -3.391 -9.785 10.431) 14.698 2.018 ( 3.643 -2.260 -0.202) 4.292 2.058 ( 3.092 -1.331 0.777) 3.455 2.300 ( 2.356 2.258 0.005) 3.263 2.354 ( 1.673 -1.355 -1.973) 2.921 2.425 ( -0.042 1.466 1.855) 2.365 2.509 ( -2.487 -1.243 2.815) 3.957 2.625 ( 3.501 6.473 5.767) 9.350 2.692 ( 2.262 -3.769 5.920) 7.373 2.749 ( -2.564 0.707 -0.939) 2.820 2.805 ( 0.506 -0.094 -0.993) 1.119 2.923 ( -5.832 4.103 4.335) 8.345 2.976 ( -5.679 -1.750 1.681) 6.176 3.079 ( -0.441 0.936 2.093) 2.335 3.145 ( -2.223 -3.480 -2.838) 5.011 3.231 ( -2.695 -0.538 -0.831) 2.871 3.296 ( -2.269 -1.885 1.343) 3.241 3.521 ( -0.531 -0.953 1.583) 1.923 3.559 ( -0.536 -0.415 -2.401) 2.495 3.753 ( 1.854 1.151 0.371) 2.213 3.847 ( 0.433 -0.766 0.883) 1.246 3.890 ( -0.095 0.595 -1.586) 1.696 3.942 ( -1.031 -0.445 -0.352) 1.177 4.036 ( -2.171 1.222 -3.284) 4.122 4.099 ( -2.077 -1.487 -0.337) 2.576 4.238 ( 0.108 1.452 -3.120) 3.443 4.262 ( 0.254 -2.015 -3.282) 3.860 4.429 ( 2.756 2.862 -0.528) 4.008 4.447 ( 1.204 -0.492 -0.851) 1.555 4.478 ( 2.194 -1.964 -2.371) 3.781 4.648 ( -4.456 -0.189 -1.531) 4.716 4.917 ( 6.103 3.242 -1.713) 7.120 4.959 ( 6.195 -1.721 -2.206) 6.798 5.696 ( 0.620 1.214 0.809) 1.585 5.718 ( 0.483 -1.084 1.112) 1.626 6.764 ( -0.296 0.276 0.380) 0.556 6.787 ( -1.071 -0.081 -1.163) 1.583 6.857 ( 2.249 -0.061 -0.236) 2.262 6.959 ( -1.533 0.042 -0.650) 1.666 ======================= Grid point 334 (125/171) ======================= q-point: ( 0.70 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 1.553 0.000 2.598) 3.027 1.670 ( 1.383 0.000 0.169) 1.393 1.846 ( 1.034 0.000 10.081) 10.134 1.887 ( -3.888 -0.000 8.078) 8.965 1.991 ( 0.702 0.000 1.082) 1.290 2.050 ( 2.428 0.000 0.670) 2.519 2.269 ( 1.991 0.000 -1.640) 2.580 2.292 ( 2.092 0.000 -3.025) 3.678 2.485 ( -4.642 -0.000 1.383) 4.844 2.545 ( -2.886 -0.000 0.349) 2.907 2.705 ( -1.996 -0.000 -1.041) 2.251 2.728 ( -0.457 -0.000 -3.782) 3.809 2.755 ( 4.750 0.000 5.272) 7.096 2.806 ( 4.705 0.000 8.781) 9.962 2.995 ( -0.435 -0.000 -0.512) 0.672 3.002 ( -1.121 -0.000 -1.047) 1.534 3.134 ( -2.953 -0.000 -0.001) 2.953 3.162 ( -4.293 -0.000 1.723) 4.625 3.257 ( -4.597 -0.000 1.660) 4.887 3.343 ( -0.398 0.000 3.069) 3.095 3.515 ( 0.273 -0.000 -1.905) 1.925 3.541 ( -2.210 -0.000 0.215) 2.220 3.747 ( 2.531 0.000 0.491) 2.578 3.851 ( 1.950 0.000 0.437) 1.999 3.872 ( -0.950 -0.000 -0.160) 0.963 3.943 ( -3.013 -0.000 -1.397) 3.322 3.997 ( -1.493 -0.000 -2.796) 3.169 4.109 ( -1.024 -0.000 -0.136) 1.033 4.209 ( -0.727 -0.000 -1.984) 2.113 4.214 ( -0.047 0.000 0.257) 0.261 4.370 ( 1.837 0.000 -3.196) 3.686 4.451 ( -0.193 0.000 1.523) 1.535 4.464 ( 1.630 0.000 1.824) 2.446 4.654 ( -4.145 -0.000 -1.458) 4.394 4.836 ( 7.273 0.000 -2.969) 7.856 4.869 ( 5.654 0.000 -3.160) 6.477 5.700 ( 0.593 0.000 0.001) 0.593 5.732 ( -0.165 0.000 0.815) 0.831 6.777 ( -0.262 -0.000 -0.490) 0.556 6.782 ( -0.693 -0.000 1.123) 1.319 6.833 ( 1.834 0.000 -0.791) 1.998 6.953 ( -1.056 -0.000 -0.935) 1.411 ======================= Grid point 342 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 16.571 11.263) 20.036 1.093 ( 0.000 16.214 12.899) 20.719 1.592 ( 0.000 2.297 13.816) 14.005 1.641 ( -0.000 -7.869 11.558) 13.983 1.835 ( 0.000 3.906 14.009) 14.543 2.155 ( 0.000 3.185 -0.684) 3.258 2.329 ( -0.000 -1.219 -0.065) 1.220 2.368 ( -0.000 -1.952 -1.851) 2.690 2.429 ( -0.000 -1.735 3.069) 3.526 2.496 ( -0.000 -1.207 -3.734) 3.925 2.538 ( 0.000 2.048 2.575) 3.290 2.589 ( 0.000 0.104 0.904) 0.910 2.746 ( -0.000 -1.546 -0.124) 1.551 2.798 ( -0.000 -2.236 -1.554) 2.723 2.874 ( -0.000 -3.631 2.196) 4.243 2.931 ( -0.000 -2.959 2.113) 3.636 3.005 ( 0.000 4.725 -1.891) 5.089 3.217 ( 0.000 1.270 -1.395) 1.887 3.291 ( -0.000 -4.512 -2.550) 5.183 3.336 ( -0.000 -7.539 -0.324) 7.545 3.492 ( -0.000 -1.771 4.823) 5.138 3.590 ( -0.000 -3.609 -0.252) 3.618 3.742 ( 0.000 2.216 0.523) 2.277 3.816 ( -0.000 0.060 -0.426) 0.431 3.892 ( 0.000 1.161 -0.541) 1.281 3.941 ( 0.000 2.294 -1.040) 2.518 4.050 ( 0.000 2.812 -4.284) 5.124 4.143 ( -0.000 -4.537 -0.075) 4.538 4.259 ( 0.000 1.318 -2.935) 3.217 4.363 ( -0.000 -1.426 -3.795) 4.054 4.437 ( 0.000 1.155 1.637) 2.004 4.442 ( 0.000 0.501 -0.051) 0.503 4.602 ( -0.000 -0.585 -2.786) 2.847 4.614 ( 0.000 1.779 -3.103) 3.577 4.905 ( 0.000 3.878 0.561) 3.919 5.128 ( -0.000 -2.170 -3.774) 4.354 5.652 ( 0.000 1.848 1.385) 2.310 5.739 ( -0.000 -1.598 0.916) 1.842 6.758 ( 0.000 1.775 -1.015) 2.045 6.786 ( -0.000 -0.096 -1.063) 1.067 6.906 ( 0.000 0.221 -0.206) 0.302 6.925 ( -0.000 -0.867 0.617) 1.065 ======================= Grid point 343 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -0.195 13.318 10.515) 16.970 1.376 ( -2.040 14.279 9.422) 17.229 1.733 ( -0.495 -8.979 8.733) 12.536 1.797 ( -1.381 -6.019 10.436) 12.126 2.093 ( 2.614 -0.508 8.014) 8.445 2.126 ( 0.610 -4.165 -1.618) 4.509 2.309 ( 2.721 0.069 0.598) 2.787 2.355 ( -0.879 0.737 0.240) 1.172 2.428 ( 1.232 0.427 -1.100) 1.706 2.501 ( -2.070 -0.091 1.906) 2.815 2.604 ( 2.245 4.173 3.354) 5.805 2.643 ( -1.472 5.502 4.611) 7.328 2.740 ( 0.087 0.431 0.209) 0.487 2.792 ( -3.765 1.654 0.226) 4.119 2.890 ( 3.419 -5.199 3.994) 7.394 2.960 ( -0.274 -0.613 -0.089) 0.677 3.010 ( -4.744 2.350 1.548) 5.516 3.196 ( 1.473 -4.588 -2.434) 5.399 3.227 ( -1.367 -1.515 0.123) 2.045 3.308 ( -1.314 -5.203 0.482) 5.388 3.547 ( 0.932 -2.606 1.879) 3.345 3.561 ( -0.822 -1.796 -1.016) 2.222 3.761 ( 1.710 2.235 0.873) 2.946 3.817 ( -2.506 0.532 -0.646) 2.642 3.892 ( 0.979 1.704 0.114) 1.968 3.933 ( -1.234 1.245 -1.956) 2.627 4.005 ( -0.014 1.673 -2.238) 2.794 4.111 ( -0.461 -4.682 -0.566) 4.739 4.216 ( -0.653 1.180 -3.085) 3.367 4.290 ( 0.041 -2.288 -3.225) 3.955 4.438 ( 2.375 1.668 -0.002) 2.902 4.464 ( 0.082 -0.225 0.369) 0.440 4.527 ( 3.033 -0.792 -3.183) 4.468 4.587 ( -4.794 -0.388 -2.572) 5.454 4.921 ( 1.889 5.062 -1.281) 5.553 5.039 ( 2.771 -0.413 -4.518) 5.316 5.683 ( 0.163 1.611 1.163) 1.993 5.740 ( 0.364 -1.472 0.441) 1.580 6.758 ( 0.203 0.801 0.261) 0.867 6.774 ( -0.753 -0.063 -0.598) 0.964 6.890 ( 2.369 0.247 -0.494) 2.432 6.933 ( -2.094 -0.346 -0.461) 2.172 ======================= Grid point 344 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 2.288 7.942 6.093) 10.268 1.589 ( -2.257 10.052 5.360) 11.613 1.827 ( -3.124 -4.408 5.235) 7.523 1.930 ( -1.430 -7.982 7.612) 11.122 2.037 ( 2.817 -0.931 -1.555) 3.350 2.120 ( 3.882 -3.931 0.978) 5.611 2.299 ( 3.707 0.907 -0.732) 3.886 2.327 ( 1.748 -1.289 -1.817) 2.832 2.428 ( -2.313 0.240 -0.649) 2.414 2.520 ( -3.577 -2.651 -0.530) 4.484 2.658 ( 0.312 5.078 -0.415) 5.105 2.709 ( -0.295 1.683 -0.454) 1.767 2.798 ( 0.859 0.392 3.999) 4.109 2.879 ( 2.167 1.582 5.656) 6.260 2.931 ( -5.675 1.126 2.530) 6.315 2.975 ( 3.644 3.094 3.667) 6.025 3.107 ( -3.131 -1.346 2.523) 4.240 3.132 ( -2.381 -2.549 0.186) 3.493 3.244 ( 0.471 -2.322 1.575) 2.845 3.319 ( -2.134 -0.154 2.022) 2.944 3.504 ( 0.050 0.321 -2.879) 2.897 3.557 ( -0.587 -4.399 0.198) 4.443 3.769 ( 2.355 1.744 0.524) 2.977 3.832 ( -1.923 1.245 -0.102) 2.293 3.898 ( 0.348 -0.167 0.265) 0.468 3.912 ( -1.711 0.385 -1.706) 2.446 3.983 ( 0.980 -0.455 -0.696) 1.285 4.093 ( -2.321 -2.066 -0.421) 3.135 4.188 ( -0.624 1.203 -1.052) 1.716 4.236 ( 0.119 -2.516 -1.244) 2.809 4.401 ( 3.639 0.778 -3.127) 4.861 4.444 ( 1.008 0.398 -0.191) 1.101 4.497 ( 0.395 -1.191 0.878) 1.532 4.588 ( -5.424 -0.172 -1.409) 5.606 4.889 ( 3.746 3.920 -3.229) 6.311 4.940 ( 3.920 0.100 -4.369) 5.871 5.703 ( 0.426 0.986 0.325) 1.122 5.736 ( -0.007 -0.983 0.086) 0.986 6.770 ( -0.064 0.449 0.585) 0.740 6.777 ( -0.448 -0.027 0.575) 0.729 6.863 ( 2.286 0.024 -0.879) 2.449 6.932 ( -1.882 -0.155 -0.954) 2.116 ======================= Grid point 345 (129/171) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.195 2.048 -0.411) 5.599 1.653 ( 4.161 3.155 -2.923) 5.985 1.885 ( -7.190 -0.428 -0.407) 7.214 1.943 ( -4.337 -3.979 -0.993) 5.969 2.090 ( 2.237 0.626 4.487) 5.053 2.106 ( 4.251 0.288 4.524) 6.215 2.257 ( 3.449 -0.998 -1.513) 3.896 2.264 ( 2.390 -0.753 -2.065) 3.247 2.430 ( -4.320 0.565 -2.376) 4.962 2.519 ( -5.386 -2.593 -1.097) 6.078 2.663 ( 0.302 4.065 -0.877) 4.169 2.700 ( 0.016 -1.714 -0.339) 1.747 2.839 ( 1.108 0.256 1.748) 2.085 2.945 ( -0.946 0.569 -0.660) 1.286 2.985 ( 3.747 2.264 3.035) 5.326 3.010 ( 2.084 -1.865 2.792) 3.952 3.100 ( 1.749 2.240 -1.906) 3.422 3.158 ( -2.003 -3.608 -1.617) 4.432 3.271 ( -1.856 0.891 1.945) 2.832 3.380 ( -1.319 1.136 1.465) 2.275 3.489 ( -0.623 2.235 0.386) 2.352 3.533 ( -2.087 -4.500 -0.530) 4.989 3.782 ( 2.370 1.504 2.261) 3.604 3.857 ( -0.509 1.112 1.238) 1.740 3.890 ( -0.841 0.473 -1.037) 1.417 3.905 ( -0.226 -1.809 0.156) 1.830 3.982 ( -0.211 -0.817 2.138) 2.299 4.095 ( -1.955 -0.424 -0.098) 2.003 4.187 ( 0.545 -0.105 -0.272) 0.618 4.240 ( -0.271 -0.188 2.186) 2.211 4.341 ( 1.843 0.183 -1.533) 2.404 4.462 ( -1.926 1.615 1.654) 3.009 4.513 ( -0.268 -1.779 2.093) 2.760 4.600 ( -4.254 -0.060 -1.310) 4.452 4.816 ( 4.475 2.040 -3.556) 6.069 4.841 ( 4.073 -0.388 -4.010) 5.729 5.698 ( 0.649 0.092 -0.751) 0.997 5.734 ( -0.757 -0.184 -0.266) 0.823 6.779 ( 0.585 0.139 0.553) 0.817 6.799 ( -0.475 0.313 1.346) 1.461 6.832 ( 1.958 -0.264 -0.947) 2.191 6.928 ( -1.760 -0.125 -0.771) 1.926 ======================= Grid point 346 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 8.144 0.000 -6.688) 10.538 1.499 ( 9.090 0.000 -9.215) 12.944 1.910 ( -3.527 -0.000 -4.821) 5.974 1.926 ( -9.452 -0.000 -2.143) 9.692 2.128 ( 0.806 0.000 1.813) 1.984 2.164 ( 3.022 0.000 1.557) 3.400 2.214 ( -0.504 -0.000 -1.560) 1.640 2.215 ( 1.478 0.000 -1.772) 2.307 2.436 ( -3.565 -0.000 0.392) 3.587 2.526 ( -6.176 -0.000 -2.535) 6.676 2.650 ( 0.096 -0.000 -2.158) 2.161 2.689 ( 0.603 0.000 -0.966) 1.139 2.817 ( 5.900 0.000 -2.871) 6.562 2.893 ( 2.429 0.000 -3.278) 4.080 2.943 ( 4.066 0.000 -1.320) 4.275 3.036 ( 6.170 0.000 -0.500) 6.190 3.099 ( -3.659 -0.000 2.485) 4.423 3.122 ( -0.835 -0.000 -1.555) 1.764 3.314 ( -3.229 -0.000 0.865) 3.343 3.384 ( -1.332 -0.000 -1.041) 1.691 3.530 ( -0.235 0.000 2.927) 2.937 3.543 ( -1.628 -0.000 1.381) 2.135 3.821 ( 3.077 0.000 2.953) 4.265 3.858 ( -1.268 -0.000 -1.966) 2.340 3.875 ( 2.756 0.000 1.244) 3.024 3.936 ( 0.292 0.000 2.792) 2.807 4.040 ( -0.463 0.000 3.723) 3.752 4.117 ( -1.807 -0.000 0.939) 2.036 4.164 ( 0.997 0.000 -1.929) 2.172 4.275 ( 0.289 0.000 1.987) 2.008 4.342 ( -0.099 0.000 2.528) 2.530 4.536 ( -3.104 -0.000 1.763) 3.569 4.548 ( -0.862 0.000 2.569) 2.709 4.608 ( -3.920 -0.000 0.407) 3.941 4.752 ( 2.863 0.000 -1.209) 3.108 4.753 ( 2.215 0.000 -3.151) 3.852 5.674 ( 0.416 -0.000 -1.584) 1.638 5.733 ( -1.356 -0.000 -0.697) 1.525 6.777 ( 1.500 0.000 -0.398) 1.552 6.808 ( 1.577 0.000 0.125) 1.582 6.827 ( -0.643 -0.000 1.202) 1.363 6.933 ( -1.588 -0.000 0.099) 1.591 ======================= Grid point 353 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 10.216 9.561) 13.992 1.443 ( 0.000 10.521 8.113) 13.285 1.885 ( -0.000 -7.852 2.242) 8.166 1.959 ( 0.000 -0.705 7.010) 7.046 2.097 ( -0.000 -5.164 -3.644) 6.321 2.181 ( -0.000 -1.719 -1.675) 2.400 2.348 ( -0.000 -2.960 1.848) 3.490 2.359 ( -0.000 -0.701 -0.982) 1.207 2.419 ( 0.000 0.349 2.298) 2.324 2.500 ( -0.000 -1.132 -1.819) 2.143 2.625 ( 0.000 1.439 0.088) 1.441 2.658 ( 0.000 6.200 1.828) 6.463 2.792 ( 0.000 1.388 2.980) 3.287 2.806 ( 0.000 3.976 7.702) 8.668 2.915 ( 0.000 0.208 -0.138) 0.249 3.017 ( 0.000 3.856 4.006) 5.560 3.059 ( -0.000 -4.246 5.816) 7.201 3.185 ( -0.000 -5.795 -3.073) 6.559 3.260 ( 0.000 -0.401 3.141) 3.166 3.318 ( -0.000 -1.689 -1.469) 2.238 3.510 ( -0.000 -0.941 -3.199) 3.334 3.614 ( -0.000 -5.483 0.720) 5.530 3.761 ( 0.000 4.012 0.178) 4.016 3.803 ( -0.000 -0.147 0.214) 0.260 3.869 ( 0.000 2.656 -1.120) 2.883 3.894 ( 0.000 0.562 -0.730) 0.921 3.999 ( 0.000 1.023 2.040) 2.282 4.117 ( -0.000 -3.981 -1.689) 4.324 4.174 ( -0.000 -0.452 -0.627) 0.773 4.262 ( -0.000 -1.825 -1.758) 2.535 4.441 ( -0.000 -1.679 -1.124) 2.020 4.466 ( -0.000 -1.071 -0.665) 1.261 4.497 ( 0.000 0.502 -2.370) 2.423 4.536 ( -0.000 -0.200 -0.200) 0.283 4.859 ( 0.000 5.364 -3.232) 6.263 4.952 ( 0.000 2.760 -5.384) 6.050 5.693 ( 0.000 1.011 0.753) 1.260 5.749 ( -0.000 -1.121 -0.353) 1.175 6.767 ( 0.000 0.660 1.098) 1.281 6.769 ( 0.000 0.114 0.231) 0.258 6.878 ( 0.000 0.912 -1.325) 1.608 6.922 ( -0.000 -1.085 -0.422) 1.164 ======================= Grid point 354 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.457 6.728 3.811) 8.470 1.601 ( -1.410 7.261 3.284) 8.092 1.832 ( -2.832 -3.308 -4.833) 6.505 1.984 ( -0.726 -6.489 -5.102) 8.286 2.073 ( 0.017 2.160 5.211) 5.641 2.143 ( 1.657 0.754 -0.831) 2.001 2.305 ( 2.372 0.091 -3.265) 4.037 2.348 ( 1.900 -3.270 -0.850) 3.877 2.415 ( 2.008 -3.797 0.424) 4.316 2.481 ( -5.886 -3.922 -0.171) 7.075 2.629 ( 1.387 3.655 -0.254) 3.918 2.700 ( -0.648 1.575 0.701) 1.842 2.842 ( 1.173 0.543 1.564) 2.029 2.880 ( -3.890 1.420 0.100) 4.143 2.998 ( 2.076 4.226 3.652) 5.959 3.069 ( 3.685 1.790 1.731) 4.447 3.115 ( 0.216 -3.046 -1.464) 3.387 3.138 ( -3.117 -1.223 2.031) 3.916 3.292 ( 2.258 -1.748 1.468) 3.210 3.329 ( -2.649 1.576 1.829) 3.584 3.477 ( 0.335 -0.176 0.304) 0.485 3.573 ( -0.856 -6.007 -1.107) 6.168 3.784 ( 2.158 3.449 1.687) 4.405 3.828 ( -1.850 1.162 1.806) 2.834 3.859 ( -0.599 1.723 -1.818) 2.575 3.902 ( -1.390 -0.464 0.713) 1.630 4.032 ( 2.663 -1.866 2.549) 4.132 4.079 ( -1.981 -2.309 -0.583) 3.098 4.192 ( 0.013 0.162 2.095) 2.101 4.244 ( -0.287 -1.019 0.817) 1.337 4.374 ( 3.218 -0.081 -2.943) 4.361 4.445 ( -0.657 -1.704 0.038) 1.827 4.504 ( -1.760 1.276 0.306) 2.195 4.552 ( -2.221 -0.258 0.552) 2.303 4.817 ( 1.403 4.472 -4.354) 6.397 4.877 ( 1.538 1.395 -4.354) 4.824 5.701 ( 0.290 0.533 -0.253) 0.657 5.733 ( -0.238 -0.911 -0.904) 1.306 6.782 ( 0.290 0.504 1.095) 1.240 6.790 ( -0.222 0.372 1.154) 1.232 6.855 ( 1.252 0.730 -1.316) 1.958 6.912 ( -1.231 -1.305 -0.440) 1.847 ======================= Grid point 355 (133/171) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 7.935 2.213 -3.999) 9.157 1.605 ( 6.269 1.876 -4.998) 8.234 1.783 ( -8.790 1.485 -4.043) 9.788 1.883 ( -4.995 -5.556 -4.558) 8.752 2.135 ( 1.803 2.877 -0.543) 3.439 2.152 ( 0.853 4.584 0.731) 4.719 2.229 ( 0.606 -0.050 -3.403) 3.457 2.270 ( 1.727 -3.999 -3.131) 5.364 2.409 ( -0.260 -1.997 1.136) 2.312 2.490 ( -3.346 -5.021 -0.481) 6.053 2.638 ( 1.322 2.754 0.019) 3.055 2.708 ( 0.280 -1.453 -0.040) 1.480 2.844 ( 0.685 1.938 -2.279) 3.069 2.883 ( -2.204 1.831 -3.432) 4.471 2.987 ( 5.138 3.893 -2.195) 6.810 3.087 ( -0.650 -0.657 0.948) 1.324 3.100 ( 2.293 -2.146 1.138) 3.340 3.139 ( -0.802 -0.902 -0.800) 1.448 3.276 ( 1.811 -0.770 0.178) 1.976 3.374 ( -2.528 -0.992 0.286) 2.731 3.512 ( -0.295 0.785 2.843) 2.964 3.548 ( -1.037 -3.248 0.929) 3.533 3.826 ( 0.490 2.718 0.476) 2.802 3.847 ( 1.881 2.343 1.389) 3.310 3.898 ( -0.725 0.496 2.046) 2.226 3.917 ( -2.765 -1.039 1.698) 3.408 4.046 ( 0.812 -1.970 2.598) 3.360 4.099 ( -1.389 -1.281 1.983) 2.739 4.208 ( 3.158 -0.600 0.679) 3.286 4.270 ( 0.097 0.608 1.476) 1.600 4.346 ( 1.289 1.642 1.636) 2.652 4.474 ( -2.597 0.251 2.443) 3.574 4.534 ( -2.662 0.710 0.956) 2.916 4.573 ( -1.984 -0.951 0.811) 2.345 4.755 ( 1.249 2.916 -4.097) 5.181 4.800 ( 1.862 -0.702 -3.525) 4.048 5.684 ( 0.794 -0.200 -1.422) 1.641 5.716 ( -1.168 -0.286 -1.212) 1.708 6.796 ( 1.204 0.110 0.360) 1.262 6.814 ( -0.031 0.747 1.163) 1.382 6.833 ( 1.217 0.306 -0.298) 1.290 6.912 ( -1.907 -1.127 0.168) 2.222 ======================= Grid point 356 (134/171) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 10.716 0.525 -8.377) 13.612 1.412 ( 11.723 -1.005 -9.556) 15.157 1.796 ( -7.724 2.061 -3.408) 8.691 1.823 ( -5.535 -3.657 -4.293) 7.902 2.082 ( 0.192 3.808 -6.715) 7.722 2.114 ( 0.089 -0.612 -5.294) 5.330 2.186 ( 2.171 -0.033 -3.941) 4.500 2.214 ( 0.059 -1.590 -1.316) 2.065 2.412 ( -2.336 2.966 -2.491) 4.523 2.459 ( -2.321 -4.064 -0.890) 4.764 2.633 ( 1.826 0.416 -0.347) 1.905 2.676 ( 2.355 -1.161 -1.364) 2.959 2.769 ( 1.750 1.576 -4.093) 4.722 2.868 ( -1.829 0.506 -0.519) 1.967 2.960 ( 4.191 1.293 0.306) 4.397 3.056 ( 1.410 -1.060 -0.901) 1.981 3.101 ( 1.170 1.658 0.037) 2.030 3.137 ( 1.052 -3.509 0.879) 3.768 3.308 ( -2.158 2.670 2.262) 4.111 3.371 ( -1.531 -3.215 -0.158) 3.565 3.557 ( -1.472 0.831 1.394) 2.191 3.575 ( -0.992 -0.950 1.864) 2.316 3.814 ( 0.609 0.377 -0.438) 0.839 3.899 ( 0.670 2.566 0.428) 2.687 3.915 ( 1.344 1.059 3.157) 3.591 3.973 ( -0.458 -1.498 1.738) 2.339 4.082 ( -0.618 0.718 2.501) 2.674 4.127 ( -0.788 -2.051 1.209) 2.508 4.185 ( 5.325 -0.463 1.539) 5.562 4.304 ( -0.866 0.599 2.015) 2.273 4.403 ( 1.115 1.288 4.036) 4.381 4.519 ( -0.306 1.990 -0.517) 2.078 4.572 ( -1.371 0.735 1.060) 1.883 4.624 ( -4.375 -1.832 3.522) 5.907 4.705 ( -0.756 1.000 -2.473) 2.772 4.739 ( -0.901 -1.475 -1.789) 2.488 5.647 ( 0.689 -0.297 -2.077) 2.209 5.703 ( -1.853 -0.023 -1.409) 2.328 6.776 ( 1.954 -0.074 -0.936) 2.168 6.832 ( 1.091 0.515 0.940) 1.529 6.836 ( -0.031 -0.107 0.701) 0.710 6.933 ( -1.958 -0.439 1.252) 2.366 ======================= Grid point 357 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 13.725 0.000 -11.000) 17.589 1.141 ( 15.656 0.000 -10.469) 18.834 1.690 ( 11.812 0.000 -10.165) 15.584 1.802 ( -5.270 -0.000 -3.379) 6.261 1.967 ( -3.206 -0.000 -7.056) 7.750 1.979 ( -0.167 -0.000 -7.732) 7.734 2.137 ( -1.287 -0.000 -1.008) 1.635 2.151 ( -4.498 -0.000 -5.500) 7.105 2.411 ( -7.274 -0.000 -3.328) 7.999 2.456 ( 0.298 0.000 0.702) 0.763 2.618 ( 1.155 0.000 -0.483) 1.252 2.637 ( 2.454 0.000 -0.753) 2.567 2.741 ( 0.162 0.000 0.752) 0.769 2.886 ( 1.174 0.000 2.157) 2.456 2.932 ( 4.519 0.000 -0.382) 4.535 3.037 ( -1.424 -0.000 -1.842) 2.328 3.104 ( 3.276 0.000 2.081) 3.881 3.142 ( 0.163 0.000 1.822) 1.830 3.357 ( -2.247 -0.000 -0.415) 2.285 3.364 ( -1.050 -0.000 -0.171) 1.064 3.599 ( -1.107 -0.000 1.637) 1.976 3.604 ( -4.317 -0.000 0.970) 4.424 3.833 ( 0.895 0.000 2.842) 2.979 3.859 ( 2.639 0.000 -3.997) 4.789 3.963 ( 1.752 0.000 0.336) 1.784 3.991 ( 0.569 0.000 4.441) 4.478 4.122 ( -0.323 -0.000 -0.646) 0.722 4.161 ( -1.288 0.000 4.561) 4.740 4.193 ( 6.719 0.000 4.176) 7.911 4.351 ( -0.851 -0.000 2.025) 2.197 4.456 ( 0.392 0.000 1.934) 1.973 4.485 ( 2.378 0.000 -2.039) 3.133 4.598 ( -0.491 -0.000 0.394) 0.629 4.636 ( -1.696 -0.000 -2.016) 2.634 4.740 ( -5.766 -0.000 -1.098) 5.870 4.753 ( -4.616 -0.000 3.395) 5.730 5.607 ( 0.321 -0.000 -2.007) 2.033 5.695 ( -2.341 -0.000 -1.272) 2.664 6.746 ( 2.099 0.000 -0.887) 2.279 6.840 ( 2.259 0.000 1.091) 2.509 6.846 ( -1.290 -0.000 0.115) 1.295 6.970 ( -1.476 -0.000 1.732) 2.276 ======================= Grid point 358 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 20.396 0.000 -0.000) 20.396 0.932 ( 20.784 0.000 -0.000) 20.784 1.449 ( 29.522 0.000 -0.000) 29.522 1.742 ( 6.404 0.000 -0.000) 6.404 1.819 ( -7.566 -0.000 0.000) 7.566 1.885 ( -10.294 -0.000 0.000) 10.294 2.023 ( -7.163 -0.000 0.000) 7.163 2.139 ( -3.535 -0.000 0.000) 3.535 2.306 ( -9.936 -0.000 0.000) 9.936 2.464 ( 0.771 0.000 -0.000) 0.771 2.612 ( 3.198 0.000 -0.000) 3.198 2.625 ( 2.335 0.000 -0.000) 2.335 2.781 ( -0.244 -0.000 0.000) 0.244 2.922 ( 4.528 0.000 -0.000) 4.528 2.957 ( -5.581 -0.000 0.000) 5.581 2.989 ( 6.508 0.000 -0.000) 6.508 3.160 ( -0.611 -0.000 0.000) 0.611 3.192 ( -2.674 -0.000 0.000) 2.674 3.316 ( -0.166 -0.000 0.000) 0.166 3.364 ( 0.427 0.000 -0.000) 0.427 3.605 ( -1.959 -0.000 0.000) 1.959 3.625 ( -7.371 -0.000 0.000) 7.371 3.784 ( 4.813 0.000 -0.000) 4.813 3.920 ( 2.117 0.000 -0.000) 2.117 3.978 ( -0.078 -0.000 0.000) 0.078 4.053 ( -4.454 -0.000 0.000) 4.454 4.118 ( 1.503 0.000 -0.000) 1.503 4.253 ( 0.290 0.000 -0.000) 0.290 4.364 ( 3.149 0.000 -0.000) 3.149 4.382 ( -0.515 -0.000 0.000) 0.515 4.412 ( 2.763 0.000 -0.000) 2.763 4.468 ( 0.684 0.000 -0.000) 0.684 4.591 ( -1.978 -0.000 0.000) 1.978 4.606 ( 0.893 0.000 -0.000) 0.893 4.660 ( -2.041 -0.000 0.000) 2.041 4.817 ( -3.851 -0.000 0.000) 3.851 5.567 ( 0.243 0.000 -0.000) 0.243 5.671 ( -2.691 -0.000 0.000) 2.691 6.730 ( 2.292 0.000 -0.000) 2.292 6.848 ( -1.712 -0.000 0.000) 1.712 6.861 ( 2.630 0.000 -0.000) 2.630 7.009 ( -1.934 -0.000 0.000) 1.934 ======================= Grid point 364 (137/171) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -0.001 4.081 -1.500) 4.348 1.581 ( 0.001 4.083 1.762) 4.447 1.708 ( 0.000 -0.739 -7.849) 7.884 1.911 ( -0.000 -4.925 -6.333) 8.023 2.111 ( -0.000 1.607 -0.017) 1.607 2.128 ( 0.000 2.196 -0.606) 2.278 2.219 ( -0.000 1.551 -5.874) 6.076 2.320 ( -0.000 -2.715 -4.630) 5.367 2.453 ( -0.000 -4.795 0.356) 4.808 2.528 ( -0.000 -3.096 1.468) 3.427 2.624 ( 0.000 2.204 1.300) 2.559 2.718 ( -0.000 -0.100 2.385) 2.387 2.828 ( -0.000 0.194 -2.894) 2.901 2.834 ( -0.000 2.861 -4.471) 5.308 2.988 ( -0.000 3.452 -1.874) 3.928 3.062 ( -0.000 3.182 2.780) 4.225 3.112 ( -0.000 -2.319 -1.869) 2.979 3.181 ( -0.000 -4.787 0.639) 4.830 3.327 ( 0.000 0.575 0.796) 0.982 3.355 ( 0.000 -2.939 2.304) 3.734 3.511 ( 0.000 0.335 3.054) 3.072 3.588 ( -0.000 -5.044 -0.467) 5.065 3.796 ( -0.000 2.980 -1.271) 3.240 3.819 ( 0.000 5.314 2.461) 5.856 3.874 ( -0.000 0.292 2.733) 2.749 3.918 ( -0.000 -2.171 1.482) 2.628 4.082 ( -0.000 -2.573 0.803) 2.696 4.105 ( -0.000 -0.970 3.588) 3.717 4.233 ( -0.000 -0.377 1.865) 1.903 4.269 ( -0.000 1.228 1.995) 2.343 4.337 ( -0.000 0.974 -1.837) 2.079 4.471 ( -0.000 -2.025 1.623) 2.595 4.491 ( 0.000 2.499 0.575) 2.564 4.557 ( -0.000 0.826 0.811) 1.157 4.725 ( -0.000 3.208 -3.768) 4.948 4.812 ( -0.000 0.846 -2.991) 3.108 5.692 ( -0.000 0.024 -0.830) 0.830 5.714 ( -0.000 -0.874 -1.772) 1.976 6.803 ( 0.000 0.429 0.675) 0.800 6.804 ( -0.000 0.574 1.667) 1.763 6.831 ( -0.000 1.141 -1.150) 1.620 6.918 ( -0.000 -2.003 0.466) 2.057 ======================= Grid point 366 (138/171) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 8.332 2.443 -6.327) 10.744 1.558 ( 6.836 -0.952 -5.225) 8.657 1.651 ( -8.257 1.953 -2.958) 8.986 1.796 ( -5.544 -6.047 -4.929) 9.571 2.061 ( 2.716 2.760 -6.956) 7.961 2.094 ( -1.697 1.408 -5.103) 5.559 2.185 ( -0.740 4.385 -0.470) 4.472 2.207 ( -0.455 -1.141 -6.717) 6.829 2.434 ( 1.698 -2.767 -0.428) 3.274 2.495 ( 0.486 -4.198 -2.407) 4.863 2.663 ( 2.214 0.293 1.985) 2.988 2.720 ( 3.649 0.518 -1.647) 4.037 2.754 ( -0.099 0.654 -4.471) 4.520 2.795 ( -6.220 0.486 -1.420) 6.398 2.983 ( 2.808 3.981 0.276) 4.879 3.071 ( -0.668 -0.519 -1.326) 1.573 3.130 ( 0.990 -1.895 0.079) 2.139 3.152 ( -1.159 -2.008 1.428) 2.723 3.322 ( 3.205 -1.479 1.493) 3.832 3.380 ( -2.247 -2.673 1.271) 3.716 3.549 ( 1.168 -1.378 0.425) 1.856 3.575 ( -1.599 -1.672 1.681) 2.860 3.809 ( 0.626 2.725 0.445) 2.831 3.844 ( -0.912 4.219 -1.820) 4.684 3.926 ( 1.015 0.797 2.709) 3.001 3.957 ( -1.784 -0.401 3.297) 3.770 4.099 ( 1.007 -1.646 2.414) 3.091 4.147 ( -0.593 -2.528 2.335) 3.492 4.246 ( 2.932 0.111 1.080) 3.127 4.281 ( -1.008 0.876 0.639) 1.481 4.392 ( 1.271 4.364 4.006) 6.059 4.498 ( 0.357 0.912 1.580) 1.859 4.531 ( -1.772 2.117 1.778) 3.283 4.590 ( -2.165 0.148 2.236) 3.116 4.679 ( -1.056 0.420 -3.021) 3.228 4.758 ( 0.300 -1.512 -2.929) 3.310 5.664 ( 1.059 -0.542 -1.860) 2.208 5.683 ( -1.408 -0.366 -1.849) 2.353 6.801 ( 1.527 0.105 -0.605) 1.645 6.818 ( -1.039 0.374 -0.222) 1.126 6.848 ( 0.874 1.229 2.014) 2.516 6.923 ( -1.004 -1.881 1.068) 2.385 ======================= Grid point 367 (139/171) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 13.009 0.040 -7.630) 15.081 1.362 ( 13.680 -2.733 -7.394) 15.789 1.681 ( -9.940 1.834 -2.111) 10.325 1.749 ( -6.850 -4.933 -2.531) 8.812 1.926 ( 2.513 4.191 -8.476) 9.784 2.012 ( -1.861 -2.878 -6.981) 7.777 2.077 ( 0.834 5.114 -6.691) 8.462 2.209 ( 2.007 -1.177 -1.745) 2.908 2.316 ( 1.544 -0.180 -6.625) 6.805 2.469 ( -1.348 -2.196 0.331) 2.598 2.637 ( 1.706 0.274 -0.971) 1.982 2.673 ( 0.389 -1.478 -1.919) 2.454 2.748 ( 1.659 1.460 1.816) 2.860 2.845 ( -4.882 -0.719 1.953) 5.307 2.987 ( 3.008 1.278 0.231) 3.277 3.058 ( 2.688 1.713 0.037) 3.188 3.103 ( 0.426 -0.539 -0.310) 0.753 3.165 ( -1.989 -3.369 0.152) 3.915 3.334 ( 1.631 0.253 1.564) 2.274 3.386 ( -0.399 -3.089 0.341) 3.134 3.547 ( -2.094 0.896 -0.393) 2.312 3.591 ( -2.116 -2.474 0.147) 3.258 3.825 ( 0.558 3.539 0.304) 3.596 3.855 ( -0.473 1.727 0.132) 1.795 3.958 ( 1.373 1.929 1.024) 2.580 4.009 ( -1.509 -0.651 1.478) 2.210 4.122 ( 2.024 -0.081 2.024) 2.864 4.176 ( -0.547 -2.937 2.985) 4.223 4.261 ( 3.480 0.797 3.113) 4.736 4.324 ( -1.559 1.733 2.044) 3.100 4.443 ( 2.597 4.294 0.759) 5.076 4.521 ( 1.112 0.100 0.933) 1.455 4.573 ( 0.571 2.141 0.869) 2.380 4.648 ( -2.142 -2.729 -1.271) 3.694 4.663 ( -4.341 0.569 1.371) 4.588 4.709 ( -2.606 -1.997 -0.598) 3.338 5.620 ( 1.024 -0.548 -1.996) 2.310 5.664 ( -2.076 -0.072 -1.580) 2.610 6.776 ( 2.023 -0.185 -0.689) 2.145 6.824 ( -1.359 0.428 -0.228) 1.443 6.873 ( 2.148 0.050 1.636) 2.700 6.948 ( -1.961 -0.650 1.441) 2.519 ======================= Grid point 368 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 17.377 -1.552 -8.224) 19.288 1.124 ( 18.168 -1.942 -5.585) 19.106 1.670 ( 14.522 -1.290 -4.206) 15.174 1.741 ( -6.463 0.327 0.270) 6.476 1.826 ( -4.105 3.017 -4.392) 6.727 1.868 ( -0.557 -3.982 -5.488) 6.804 2.025 ( -2.929 2.878 -4.406) 6.023 2.123 ( -0.780 -2.359 -1.078) 2.708 2.279 ( -7.952 2.521 -4.181) 9.331 2.471 ( -0.808 -1.745 0.017) 1.923 2.625 ( 2.482 1.483 0.165) 2.896 2.644 ( 1.143 -0.990 -0.382) 1.560 2.769 ( 2.053 0.628 1.614) 2.686 2.906 ( -3.885 -0.675 2.008) 4.425 2.960 ( 3.583 -1.152 -0.469) 3.793 3.037 ( 5.835 0.358 -0.143) 5.847 3.123 ( -3.278 2.533 0.715) 4.204 3.169 ( -2.156 -2.298 0.810) 3.254 3.334 ( 1.179 0.368 -0.755) 1.448 3.371 ( 0.482 -2.125 0.085) 2.181 3.571 ( -4.591 1.716 -0.251) 4.907 3.600 ( -4.240 -1.757 -0.313) 4.600 3.816 ( 3.293 2.462 -1.334) 4.322 3.896 ( 0.563 0.081 3.335) 3.383 3.971 ( 0.474 1.967 0.124) 2.027 4.030 ( -2.937 -1.085 0.240) 3.140 4.127 ( 2.440 -0.563 0.757) 2.616 4.225 ( -0.842 -1.091 2.982) 3.286 4.310 ( 3.356 2.020 4.525) 5.985 4.369 ( 0.350 1.586 1.034) 1.925 4.446 ( 1.979 4.245 -0.979) 4.785 4.501 ( 2.096 -4.240 -0.542) 4.761 4.585 ( -0.603 1.292 -0.153) 1.434 4.618 ( -0.266 -3.157 -0.625) 3.229 4.670 ( -4.046 0.169 -2.336) 4.675 4.770 ( -4.530 0.160 2.149) 5.016 5.583 ( 0.712 -0.342 -1.256) 1.484 5.659 ( -2.572 0.094 -0.820) 2.702 6.750 ( 2.267 -0.290 -0.436) 2.327 6.835 ( -1.599 0.493 -0.052) 1.674 6.875 ( 2.591 -0.575 0.757) 2.759 6.984 ( -2.080 0.106 1.131) 2.370 ======================= Grid point 376 (141/171) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.000 1.968 -3.864) 4.336 1.528 ( -0.000 -1.708 -4.485) 4.800 1.554 ( 0.000 -1.614 -2.799) 3.231 1.724 ( -0.000 -3.975 -5.117) 6.480 1.925 ( -0.000 1.281 -8.948) 9.039 1.985 ( 0.000 -0.564 -5.048) 5.079 2.060 ( -0.000 1.313 -8.446) 8.547 2.146 ( -0.000 5.324 -1.405) 5.506 2.442 ( 0.000 -0.553 -1.363) 1.471 2.451 ( -0.000 -0.101 -3.239) 3.241 2.660 ( 0.000 -0.102 -2.517) 2.519 2.675 ( -0.000 -4.268 -4.370) 6.109 2.757 ( -0.000 -0.624 4.630) 4.672 2.822 ( -0.000 -1.917 4.174) 4.593 2.975 ( -0.000 2.976 -0.089) 2.978 3.054 ( -0.000 0.407 -0.259) 0.482 3.151 ( 0.000 -1.048 -0.545) 1.181 3.163 ( -0.000 -2.964 -0.318) 2.981 3.364 ( 0.000 0.524 1.562) 1.647 3.407 ( -0.000 -3.549 0.326) 3.564 3.555 ( -0.000 -4.048 -1.096) 4.194 3.602 ( -0.000 -1.920 0.121) 1.924 3.776 ( -0.000 5.501 -0.946) 5.582 3.823 ( -0.000 3.110 2.232) 3.828 3.951 ( 0.000 1.439 0.060) 1.441 3.994 ( -0.000 -0.673 1.115) 1.302 4.157 ( -0.000 -1.789 2.646) 3.194 4.187 ( 0.000 1.099 2.220) 2.477 4.275 ( 0.000 3.563 0.952) 3.688 4.278 ( -0.000 -0.121 1.115) 1.122 4.425 ( -0.000 3.373 2.240) 4.049 4.501 ( -0.000 3.919 0.409) 3.940 4.572 ( -0.000 1.719 4.299) 4.630 4.598 ( 0.000 -1.071 -0.025) 1.071 4.665 ( -0.000 -1.663 0.921) 1.901 4.726 ( -0.000 -2.388 -2.370) 3.365 5.641 ( -0.000 -0.476 -2.132) 2.184 5.646 ( -0.000 -0.548 -1.676) 1.763 6.796 ( 0.000 0.345 -0.486) 0.596 6.806 ( -0.000 -0.095 -0.324) 0.337 6.884 ( -0.000 0.768 2.405) 2.525 6.946 ( -0.000 -1.555 0.770) 1.735 ======================= Grid point 378 (142/171) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 14.517 -1.838 -3.999) 15.169 1.384 ( 12.161 -5.479 -3.532) 13.798 1.559 ( -11.139 2.208 -1.912) 11.516 1.665 ( -11.157 -2.909 -3.531) 12.059 1.818 ( 3.023 3.645 -4.013) 6.207 1.908 ( 0.335 3.879 -4.904) 6.262 1.985 ( -0.077 -0.410 -0.599) 0.730 2.136 ( -4.306 2.035 -4.522) 6.567 2.297 ( 13.751 -5.027 -3.623) 15.082 2.452 ( -7.065 -3.355 -1.041) 7.890 2.623 ( 0.176 1.419 -0.533) 1.526 2.643 ( -1.120 0.497 -0.863) 1.499 2.818 ( 4.240 -0.183 3.734) 5.653 2.892 ( -1.007 -2.158 4.414) 5.015 2.976 ( -1.968 1.455 -1.357) 2.798 3.047 ( -1.254 -0.750 -1.887) 2.387 3.118 ( 3.319 0.217 0.266) 3.337 3.163 ( -1.450 -1.252 -0.067) 1.917 3.368 ( 2.623 -1.047 0.228) 2.833 3.398 ( -1.301 -1.696 -0.319) 2.161 3.526 ( -0.627 -1.601 -0.550) 1.805 3.572 ( -2.920 -3.060 -1.742) 4.575 3.811 ( 2.508 4.800 1.386) 5.591 3.879 ( -1.747 1.797 2.141) 3.296 3.949 ( 0.333 2.455 -0.571) 2.542 3.999 ( -1.452 0.492 -1.096) 1.885 4.182 ( 2.385 -1.956 2.285) 3.839 4.232 ( -0.844 -2.041 2.117) 3.059 4.297 ( 1.242 4.200 0.760) 4.445 4.328 ( -1.620 4.456 1.362) 4.933 4.453 ( 3.800 2.318 0.802) 4.523 4.527 ( -1.400 2.180 0.275) 2.605 4.584 ( -0.902 -3.046 0.180) 3.182 4.630 ( -0.883 0.074 -0.032) 0.887 4.663 ( 2.172 -2.271 -0.543) 3.189 4.708 ( -4.062 -0.259 1.444) 4.319 5.603 ( 1.331 -0.498 -1.220) 1.873 5.627 ( -2.002 -0.151 -1.124) 2.301 6.783 ( 1.875 -0.201 -0.260) 1.903 6.808 ( -1.581 0.226 -0.236) 1.614 6.914 ( 1.983 -0.168 1.373) 2.418 6.956 ( -1.841 -0.546 0.535) 1.993 ======================= Grid point 379 (143/171) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 18.620 -3.077 0.000) 18.873 1.219 ( 17.509 -4.093 0.000) 17.981 1.642 ( -12.357 2.285 -0.000) 12.567 1.699 ( -7.841 -2.106 -0.000) 8.119 1.772 ( 4.719 3.625 -0.000) 5.950 1.881 ( 5.395 0.603 0.000) 5.429 1.964 ( 2.545 -1.651 0.000) 3.033 2.102 ( -3.897 -1.004 -0.000) 4.024 2.198 ( 0.818 0.370 0.000) 0.898 2.464 ( -4.790 -3.551 0.000) 5.963 2.630 ( 1.756 2.612 -0.000) 3.147 2.645 ( -0.169 0.723 -0.000) 0.742 2.810 ( 5.817 0.315 0.000) 5.826 2.927 ( -0.476 -2.893 0.000) 2.932 2.972 ( 0.060 -1.069 0.000) 1.070 3.052 ( -4.680 1.381 -0.000) 4.880 3.098 ( 3.679 0.861 0.000) 3.779 3.167 ( -1.992 -0.949 -0.000) 2.206 3.346 ( 2.514 -0.784 0.000) 2.634 3.387 ( 0.033 -2.282 0.000) 2.283 3.530 ( -2.708 1.232 -0.000) 2.975 3.572 ( -5.462 -2.653 -0.000) 6.073 3.821 ( 4.273 3.641 -0.000) 5.613 3.926 ( -1.798 0.786 -0.000) 1.963 3.960 ( 0.725 2.290 -0.000) 2.402 4.000 ( -3.275 0.702 -0.000) 3.349 4.167 ( 3.220 -2.547 0.000) 4.106 4.250 ( -1.910 -1.824 0.000) 2.641 4.327 ( 1.642 6.526 -0.000) 6.730 4.375 ( -0.991 2.825 -0.000) 2.993 4.440 ( 4.567 2.658 -0.000) 5.285 4.537 ( 0.902 -4.267 0.000) 4.361 4.578 ( -2.643 -1.775 0.000) 3.184 4.615 ( -1.258 -1.018 0.000) 1.619 4.644 ( 2.042 -0.022 0.000) 2.042 4.756 ( -4.570 0.433 -0.000) 4.590 5.581 ( 1.126 -0.502 0.000) 1.233 5.634 ( -2.547 0.128 -0.000) 2.550 6.764 ( 2.206 -0.417 0.000) 2.245 6.820 ( -1.729 0.475 -0.000) 1.793 6.904 ( 2.683 -0.801 0.000) 2.800 6.977 ( -2.371 0.192 -0.000) 2.378 ======================= Grid point 388 (144/171) ======================= q-point: (-0.20 -0.50 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 -3.852 -0.910) 3.958 1.387 ( -0.000 -3.852 0.910) 3.958 1.539 ( 0.000 -0.620 -1.621) 1.735 1.539 ( -0.000 -0.620 1.621) 1.735 1.805 ( 0.000 3.550 -2.919) 4.596 1.805 ( -0.000 3.550 2.919) 4.596 2.035 ( 0.000 0.555 -3.900) 3.939 2.035 ( -0.000 0.555 3.900) 3.939 2.391 ( 0.000 -3.862 -0.000) 3.862 2.391 ( -0.000 -3.862 0.000) 3.862 2.620 ( 0.000 0.606 -0.346) 0.698 2.620 ( -0.000 0.606 0.346) 0.698 2.909 ( 0.000 -0.076 -2.997) 2.998 2.909 ( -0.000 -0.076 2.997) 2.998 2.989 ( -0.000 -2.798 -4.980) 5.713 2.989 ( -0.000 -2.798 4.980) 5.713 3.146 ( 0.000 0.844 -1.538) 1.754 3.146 ( -0.000 0.844 1.538) 1.754 3.385 ( 0.000 0.060 -0.203) 0.212 3.385 ( -0.000 0.060 0.203) 0.212 3.550 ( 0.000 -3.886 -0.708) 3.950 3.550 ( -0.000 -3.886 0.708) 3.950 3.840 ( 0.000 4.000 -2.012) 4.477 3.840 ( -0.000 4.000 2.012) 4.477 3.958 ( 0.000 1.142 -2.262) 2.534 3.958 ( -0.000 1.142 2.262) 2.534 4.243 ( 0.000 -2.134 -1.284) 2.490 4.243 ( -0.000 -2.134 1.284) 2.490 4.287 ( 0.000 5.870 -0.331) 5.880 4.287 ( -0.000 5.870 0.331) 5.880 4.489 ( 0.000 1.424 -0.823) 1.645 4.489 ( -0.000 1.424 0.823) 1.645 4.617 ( -0.000 -2.484 -1.464) 2.883 4.617 ( -0.000 -2.484 1.464) 2.883 4.693 ( 0.000 0.020 -0.027) 0.033 4.693 ( -0.000 0.020 0.027) 0.033 5.605 ( 0.000 -0.322 -0.120) 0.343 5.605 ( -0.000 -0.322 0.120) 0.343 6.794 ( 0.000 -0.055 -0.116) 0.128 6.794 ( -0.000 -0.055 0.116) 0.128 6.946 ( 0.000 -0.394 -0.792) 0.885 6.946 ( -0.000 -0.394 0.792) 0.885 ======================= Grid point 408 (145/171) ======================= q-point: (-0.60 -0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -4.119 0.000 -4.372) 6.007 1.430 ( 0.707 0.000 -12.131) 12.152 1.524 ( -5.787 0.000 -12.869) 14.110 1.532 ( -5.712 -0.000 -6.742) 8.836 1.999 ( 1.535 -0.000 -0.253) 1.555 2.025 ( 3.760 0.000 0.493) 3.792 2.257 ( 4.967 0.000 -3.480) 6.065 2.306 ( 8.056 0.000 -2.768) 8.519 2.418 ( 3.045 0.000 1.546) 3.414 2.468 ( -3.765 0.000 -4.367) 5.766 2.574 ( 2.532 0.000 -0.893) 2.685 2.585 ( -4.154 -0.000 -2.937) 5.088 2.766 ( -7.036 0.000 -3.065) 7.674 2.819 ( -1.839 0.000 -1.596) 2.435 2.923 ( -2.605 0.000 1.245) 2.887 2.965 ( -8.507 -0.000 -4.030) 9.414 3.079 ( 3.320 -0.000 2.496) 4.153 3.166 ( 1.161 0.000 -1.067) 1.577 3.296 ( -4.752 -0.000 2.301) 5.280 3.300 ( -3.105 0.000 1.142) 3.308 3.515 ( -3.804 0.000 0.120) 3.806 3.596 ( -1.883 0.000 1.080) 2.171 3.754 ( 0.446 0.000 1.050) 1.140 3.806 ( 3.332 0.000 -1.326) 3.586 3.930 ( -0.027 0.000 -1.532) 1.532 3.939 ( -2.856 -0.000 1.715) 3.331 4.107 ( -1.264 0.000 2.789) 3.062 4.133 ( -1.700 0.000 2.602) 3.108 4.280 ( 2.867 0.000 1.773) 3.371 4.311 ( 0.102 -0.000 3.072) 3.074 4.426 ( 1.771 -0.000 -0.065) 1.772 4.435 ( 0.819 0.000 0.630) 1.033 4.540 ( 1.909 0.000 5.722) 6.032 4.694 ( -2.426 0.000 1.176) 2.696 4.896 ( 7.939 0.000 -0.043) 7.940 4.912 ( 7.327 -0.000 -1.186) 7.423 5.680 ( 0.958 0.000 -1.069) 1.435 5.683 ( 0.982 0.000 -1.739) 1.997 6.766 ( -0.295 0.000 0.298) 0.420 6.821 ( -0.466 0.000 1.134) 1.226 6.847 ( 0.500 0.000 0.827) 0.966 6.972 ( -1.072 0.000 -0.176) 1.087 ======================= Grid point 419 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -5.164 13.277 -8.774) 16.731 1.231 ( -6.141 13.755 -5.249) 15.952 1.313 ( -3.364 -10.277 -8.857) 13.978 1.424 ( -5.094 -12.998 -5.502) 15.005 1.966 ( -0.851 16.069 -0.525) 16.100 2.106 ( 5.931 -7.220 2.442) 9.657 2.243 ( 4.726 2.179 -1.561) 5.433 2.291 ( 5.816 0.864 -4.383) 7.334 2.390 ( 2.147 3.814 -0.663) 4.427 2.473 ( 2.057 -3.560 1.107) 4.258 2.540 ( -3.268 -4.822 -0.677) 5.864 2.571 ( 0.740 -2.842 -2.093) 3.606 2.652 ( -8.498 1.251 -1.267) 8.682 2.733 ( -7.095 -4.096 -4.753) 9.472 2.926 ( -0.838 2.451 2.725) 3.760 2.981 ( -0.516 -1.923 4.290) 4.730 3.093 ( 0.887 4.489 -1.391) 4.783 3.153 ( 1.402 -5.182 -3.083) 6.191 3.283 ( -1.164 4.221 1.488) 4.625 3.335 ( -2.330 -4.421 1.719) 5.284 3.495 ( -5.056 1.047 1.186) 5.298 3.573 ( -4.956 -2.686 -1.211) 5.766 3.762 ( 0.829 3.467 0.470) 3.595 3.816 ( 0.876 -2.918 -0.237) 3.056 3.917 ( 0.287 0.853 -0.157) 0.914 3.939 ( -1.117 -1.345 -0.186) 1.758 4.147 ( -0.535 1.446 3.115) 3.476 4.174 ( -1.390 -0.454 2.716) 3.084 4.319 ( 2.364 1.131 1.025) 2.814 4.352 ( 0.986 -0.478 0.982) 1.471 4.424 ( 0.671 1.497 -0.485) 1.711 4.451 ( -0.982 -2.297 0.440) 2.537 4.650 ( 2.276 1.174 5.465) 6.035 4.715 ( -0.418 0.243 2.461) 2.508 4.895 ( 5.515 4.636 -2.793) 7.727 4.951 ( 7.910 -4.786 -2.428) 9.559 5.657 ( 0.979 1.904 -0.930) 2.334 5.678 ( 1.232 -1.689 -0.910) 2.280 6.779 ( 0.749 0.561 1.154) 1.485 6.827 ( 1.213 -0.213 -0.701) 1.417 6.871 ( -1.442 0.268 2.211) 2.654 6.949 ( -1.954 -0.471 -1.365) 2.430 ======================= Grid point 420 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -6.627 -12.055 0.000) 13.757 1.200 ( -6.627 12.055 -0.000) 13.757 1.329 ( -7.126 -13.659 0.000) 15.407 1.329 ( -7.126 13.659 -0.000) 15.407 2.039 ( 4.820 -7.904 0.000) 9.258 2.039 ( 4.820 7.904 -0.000) 9.258 2.201 ( 6.803 -1.980 0.000) 7.085 2.201 ( 6.803 1.980 0.000) 7.085 2.415 ( 1.269 -10.335 0.000) 10.412 2.415 ( 1.269 10.335 -0.000) 10.412 2.553 ( -3.730 -3.652 0.000) 5.221 2.553 ( -3.730 3.652 -0.000) 5.221 2.721 ( -8.460 -2.675 -0.000) 8.873 2.721 ( -8.460 2.675 -0.000) 8.873 2.985 ( 1.116 -3.350 0.000) 3.531 2.985 ( 1.116 3.350 -0.000) 3.531 3.093 ( 0.020 -4.375 0.000) 4.375 3.093 ( 0.020 4.375 -0.000) 4.375 3.333 ( -1.870 -5.420 0.000) 5.733 3.333 ( -1.870 5.420 -0.000) 5.733 3.572 ( -5.569 -2.623 0.000) 6.156 3.572 ( -5.569 2.623 -0.000) 6.156 3.782 ( 1.824 -5.047 0.000) 5.366 3.782 ( 1.824 5.047 -0.000) 5.366 3.933 ( -1.620 -0.904 0.000) 1.855 3.933 ( -1.620 0.904 -0.000) 1.855 4.188 ( 0.866 -1.392 0.000) 1.639 4.188 ( 0.866 1.392 -0.000) 1.639 4.330 ( 1.977 -1.029 0.000) 2.229 4.330 ( 1.977 1.029 0.000) 2.229 4.443 ( -1.228 -4.004 0.000) 4.188 4.443 ( -1.228 4.004 -0.000) 4.188 4.716 ( 2.177 -1.452 0.000) 2.617 4.716 ( 2.177 1.452 0.000) 2.617 4.845 ( 6.698 -3.764 0.000) 7.683 4.845 ( 6.698 3.764 0.000) 7.683 5.651 ( 1.362 -1.654 0.000) 2.143 5.651 ( 1.362 1.654 -0.000) 2.143 6.797 ( 0.800 -0.802 0.000) 1.133 6.797 ( 0.800 0.802 0.000) 1.133 6.927 ( -1.690 -0.906 0.000) 1.918 6.927 ( -1.690 0.906 0.000) 1.918 ======================= Grid point 430 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -5.885 16.006 -0.000) 17.054 1.054 ( -5.289 18.616 -0.000) 19.353 1.270 ( -3.394 -12.247 0.000) 12.709 1.429 ( -2.934 -11.841 0.000) 12.199 1.790 ( -5.701 27.540 -0.000) 28.124 2.227 ( 7.338 -1.960 0.000) 7.595 2.263 ( 3.978 -2.149 0.000) 4.521 2.269 ( 5.987 1.669 0.000) 6.215 2.408 ( 4.947 1.637 0.000) 5.211 2.528 ( -1.881 -11.686 0.000) 11.837 2.550 ( 0.196 -1.943 0.000) 1.953 2.562 ( 0.314 -3.730 0.000) 3.744 2.595 ( -7.318 -0.981 -0.000) 7.384 2.664 ( -6.147 -6.207 0.000) 8.736 2.942 ( 0.898 5.066 -0.000) 5.145 3.031 ( -2.494 3.328 -0.000) 4.158 3.050 ( -1.091 0.497 -0.000) 1.199 3.155 ( 4.305 -6.157 0.000) 7.513 3.283 ( 1.360 1.568 -0.000) 2.076 3.360 ( -2.166 -3.818 0.000) 4.389 3.457 ( -5.672 2.335 -0.000) 6.134 3.551 ( -4.708 -5.584 0.000) 7.304 3.749 ( 0.853 3.863 -0.000) 3.956 3.828 ( -2.240 -2.873 0.000) 3.643 3.913 ( 0.990 1.203 -0.000) 1.557 3.943 ( 0.340 -1.415 0.000) 1.455 4.166 ( -0.456 2.447 -0.000) 2.489 4.191 ( -1.153 0.371 -0.000) 1.211 4.329 ( 1.185 1.986 -0.000) 2.312 4.372 ( 1.823 -0.676 0.000) 1.944 4.413 ( -0.058 -0.343 0.000) 0.348 4.462 ( -1.588 -2.532 0.000) 2.989 4.703 ( 1.212 3.322 -0.000) 3.536 4.745 ( 1.062 2.515 -0.000) 2.730 4.864 ( 2.951 3.325 -0.000) 4.445 5.009 ( 7.880 -6.349 0.000) 10.119 5.644 ( 0.692 2.096 -0.000) 2.208 5.688 ( 1.062 -1.670 0.000) 1.979 6.799 ( 2.097 1.527 -0.000) 2.594 6.828 ( 1.694 -0.923 0.000) 1.929 6.880 ( -2.115 1.446 -0.000) 2.562 6.920 ( -2.759 -1.904 0.000) 3.352 ======================= Grid point 441 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 16.633 -0.000) 16.633 1.016 ( 0.000 18.867 -0.000) 18.867 1.248 ( -0.000 -11.962 0.000) 11.962 1.409 ( -0.000 -10.988 0.000) 10.988 1.749 ( 0.000 29.770 -0.000) 29.770 2.255 ( 0.000 4.008 -0.000) 4.008 2.316 ( -0.000 -2.638 0.000) 2.638 2.329 ( -0.000 -4.922 0.000) 4.922 2.445 ( 0.000 2.084 -0.000) 2.084 2.491 ( -0.000 -12.937 0.000) 12.937 2.525 ( -0.000 -3.699 0.000) 3.699 2.562 ( -0.000 -2.006 0.000) 2.006 2.578 ( -0.000 -1.365 0.000) 1.365 2.618 ( -0.000 -8.191 0.000) 8.191 2.962 ( 0.000 6.011 -0.000) 6.011 2.993 ( 0.000 3.098 -0.000) 3.098 3.048 ( 0.000 4.043 -0.000) 4.043 3.196 ( -0.000 -9.003 0.000) 9.003 3.298 ( 0.000 0.526 -0.000) 0.526 3.338 ( -0.000 -2.706 0.000) 2.706 3.412 ( 0.000 2.613 -0.000) 2.613 3.513 ( -0.000 -5.846 0.000) 5.846 3.754 ( 0.000 3.164 -0.000) 3.164 3.808 ( -0.000 -1.401 0.000) 1.401 3.928 ( 0.000 0.920 -0.000) 0.920 3.943 ( -0.000 -0.395 0.000) 0.395 4.168 ( 0.000 1.091 -0.000) 1.091 4.175 ( 0.000 1.423 -0.000) 1.423 4.336 ( 0.000 1.604 -0.000) 1.604 4.394 ( -0.000 -3.313 0.000) 3.313 4.402 ( 0.000 1.621 -0.000) 1.621 4.453 ( -0.000 -1.671 0.000) 1.671 4.712 ( 0.000 3.259 -0.000) 3.259 4.753 ( 0.000 2.648 -0.000) 2.648 4.885 ( 0.000 4.602 -0.000) 4.602 5.067 ( -0.000 -8.579 0.000) 8.579 5.649 ( 0.000 2.220 -0.000) 2.220 5.695 ( -0.000 -1.788 0.000) 1.788 6.823 ( 0.000 1.000 -0.000) 1.000 6.848 ( -0.000 -0.668 0.000) 0.668 6.858 ( 0.000 1.021 -0.000) 1.021 6.890 ( -0.000 -1.247 0.000) 1.247 ======================= Grid point 442 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.790 13.246 11.581) 17.686 1.167 ( -2.861 13.521 5.857) 15.010 1.287 ( -0.823 -8.213 10.048) 13.004 1.375 ( -1.839 -13.756 4.393) 14.557 1.951 ( -0.845 24.657 2.557) 24.804 2.173 ( 3.121 -11.347 -3.981) 12.424 2.287 ( 2.481 -0.868 0.551) 2.685 2.320 ( -1.354 -3.264 1.967) 4.044 2.437 ( 3.652 3.965 0.351) 5.402 2.484 ( 1.830 -3.493 1.270) 4.143 2.533 ( -2.698 -0.033 0.936) 2.856 2.556 ( -1.731 -1.392 1.155) 2.504 2.597 ( 1.665 -2.692 3.157) 4.471 2.640 ( -5.560 -5.033 4.965) 8.994 2.931 ( 1.057 3.375 -4.391) 5.638 2.963 ( -1.677 -0.586 -4.599) 4.930 3.101 ( 0.407 5.478 1.629) 5.730 3.171 ( 0.821 -6.637 2.151) 7.025 3.281 ( 0.429 2.019 -2.179) 3.001 3.310 ( -1.119 -2.955 -2.067) 3.776 3.449 ( -1.320 2.451 1.173) 3.021 3.507 ( -3.756 -4.204 1.619) 5.866 3.773 ( 0.836 2.477 0.123) 2.617 3.808 ( -1.455 -1.584 0.592) 2.231 3.926 ( 1.054 1.577 -0.262) 1.915 3.943 ( 0.511 -1.402 0.380) 1.540 4.139 ( -0.027 0.959 -3.506) 3.634 4.152 ( -1.651 -0.212 -3.298) 3.694 4.334 ( 0.278 2.511 -1.486) 2.931 4.365 ( 0.604 -2.744 -1.303) 3.097 4.428 ( 0.040 1.378 1.305) 1.898 4.445 ( 0.065 -1.417 0.465) 1.493 4.677 ( 1.502 1.927 -4.885) 5.462 4.706 ( -0.747 -0.203 -4.336) 4.404 4.951 ( 2.259 6.674 2.999) 7.658 5.032 ( 3.400 -7.383 2.120) 8.400 5.667 ( 0.379 2.139 0.827) 2.324 5.690 ( 0.492 -1.958 0.832) 2.184 6.797 ( 1.795 0.404 -1.763) 2.548 6.823 ( -1.797 0.218 -1.880) 2.610 6.876 ( 2.388 -0.119 0.980) 2.584 6.915 ( -2.936 -0.361 1.467) 3.302 ======================= Grid point 443 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.215 0.000 7.082) 7.086 1.421 ( -3.305 0.000 12.701) 13.124 1.457 ( -3.379 0.000 8.984) 9.598 1.468 ( -2.654 0.000 12.912) 13.182 2.041 ( 3.778 0.000 -0.057) 3.779 2.066 ( 2.217 0.000 -0.284) 2.235 2.294 ( 1.139 0.000 1.612) 1.974 2.366 ( -2.702 -0.000 0.583) 2.764 2.444 ( 4.191 0.000 3.314) 5.343 2.454 ( 2.231 0.000 -1.585) 2.737 2.573 ( 1.656 0.000 5.030) 5.295 2.617 ( 2.128 0.000 3.138) 3.792 2.667 ( -5.567 -0.000 5.759) 8.010 2.767 ( -6.065 -0.000 5.798) 8.391 2.883 ( -2.699 -0.000 -1.772) 3.229 2.896 ( -1.721 -0.000 -3.187) 3.622 3.119 ( 1.978 0.000 -1.478) 2.469 3.162 ( -1.515 -0.000 -1.056) 1.847 3.248 ( -1.580 -0.000 -2.827) 3.238 3.270 ( -1.598 -0.000 -1.251) 2.029 3.484 ( -0.284 0.000 1.992) 2.012 3.556 ( -3.747 -0.000 0.993) 3.877 3.767 ( 1.621 0.000 -0.255) 1.641 3.829 ( -0.903 -0.000 0.983) 1.335 3.920 ( 0.899 0.000 -0.952) 1.309 3.936 ( 0.709 0.000 0.481) 0.857 4.085 ( -1.502 -0.000 -3.614) 3.913 4.105 ( -2.250 -0.000 -2.920) 3.686 4.304 ( 0.822 -0.000 -3.022) 3.132 4.311 ( -0.120 -0.000 -3.204) 3.207 4.447 ( 1.252 0.000 0.667) 1.419 4.448 ( 0.944 0.000 0.572) 1.103 4.573 ( 2.827 0.000 -5.546) 6.226 4.657 ( -3.036 -0.000 -2.864) 4.173 4.987 ( 5.182 0.000 0.129) 5.184 4.996 ( 4.619 0.000 0.694) 4.671 5.692 ( 0.714 0.000 0.974) 1.207 5.694 ( 0.580 0.000 1.368) 1.486 6.768 ( 0.569 0.000 -0.726) 0.922 6.803 ( -1.671 -0.000 -1.854) 2.496 6.871 ( 2.613 0.000 0.474) 2.655 6.949 ( -2.328 -0.000 0.353) 2.354 ======================= Grid point 453 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 16.153 9.313) 18.645 1.267 ( 0.000 14.102 13.305) 19.388 1.531 ( -0.000 -10.283 7.328) 12.627 1.547 ( -0.000 -8.954 13.199) 15.950 1.947 ( 0.000 12.659 10.263) 16.296 2.155 ( -0.000 -3.585 -3.157) 4.777 2.319 ( -0.000 -0.607 1.275) 1.412 2.329 ( -0.000 -2.911 -1.363) 3.215 2.453 ( 0.000 3.760 2.749) 4.657 2.486 ( -0.000 -0.336 -2.202) 2.227 2.563 ( 0.000 2.620 4.053) 4.826 2.592 ( 0.000 0.715 2.808) 2.897 2.713 ( -0.000 -4.465 4.088) 6.053 2.746 ( -0.000 -6.507 4.542) 7.935 2.857 ( 0.000 0.743 -2.280) 2.398 2.901 ( -0.000 -2.277 -1.103) 2.530 3.067 ( 0.000 6.064 -1.942) 6.367 3.218 ( -0.000 -7.412 -1.783) 7.624 3.232 ( 0.000 1.403 -1.874) 2.341 3.280 ( -0.000 -3.191 -1.832) 3.680 3.486 ( 0.000 0.665 3.833) 3.891 3.545 ( -0.000 -3.960 1.109) 4.112 3.771 ( 0.000 2.634 0.527) 2.686 3.812 ( -0.000 -0.757 -0.010) 0.757 3.912 ( 0.000 2.285 -0.417) 2.322 3.954 ( -0.000 -0.139 -0.319) 0.348 4.071 ( 0.000 1.073 -4.117) 4.255 4.099 ( -0.000 -2.887 -1.880) 3.445 4.280 ( 0.000 2.294 -3.117) 3.871 4.339 ( -0.000 -2.544 -3.615) 4.421 4.448 ( 0.000 0.871 1.432) 1.676 4.453 ( 0.000 0.858 0.158) 0.873 4.602 ( 0.000 0.673 -3.751) 3.811 4.623 ( -0.000 -0.170 -4.427) 4.430 4.960 ( 0.000 5.654 1.062) 5.752 5.088 ( -0.000 -4.744 -1.471) 4.967 5.674 ( 0.000 2.053 1.214) 2.385 5.720 ( -0.000 -1.881 0.992) 2.126 6.774 ( 0.000 1.025 -1.269) 1.631 6.785 ( -0.000 -0.164 -1.232) 1.243 6.908 ( 0.000 0.216 0.189) 0.287 6.916 ( -0.000 -0.596 0.670) 0.897 ======================= Grid point 454 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 1.952 10.477 8.298) 13.507 1.518 ( -2.692 7.734 7.518) 11.116 1.642 ( -1.870 -3.610 10.734) 11.479 1.712 ( -0.628 -9.300 11.432) 14.751 2.073 ( 3.256 -1.906 0.736) 3.844 2.089 ( 0.935 -1.597 0.554) 1.932 2.318 ( 0.572 1.138 0.615) 1.415 2.346 ( -1.811 -1.522 -0.369) 2.395 2.447 ( 3.294 1.745 -0.954) 3.848 2.495 ( -1.221 -0.719 0.523) 1.510 2.660 ( 0.947 5.271 4.253) 6.839 2.698 ( -1.252 1.026 4.520) 4.801 2.744 ( 3.683 0.617 3.650) 5.222 2.818 ( -3.173 2.390 4.355) 5.894 2.844 ( -1.827 -0.454 0.916) 2.094 2.915 ( -2.600 -6.370 5.204) 8.626 3.061 ( -1.471 5.703 -2.067) 6.242 3.130 ( -0.694 -6.272 -3.209) 7.079 3.223 ( 1.344 -0.060 0.359) 1.393 3.264 ( -2.334 -2.086 1.126) 3.326 3.528 ( 1.186 -0.798 1.261) 1.907 3.546 ( -1.273 -0.761 -0.731) 1.654 3.781 ( 2.270 1.191 0.642) 2.643 3.821 ( -2.698 0.012 -0.023) 2.698 3.914 ( 1.649 1.980 -0.471) 2.620 3.936 ( -0.114 -0.650 -1.531) 1.667 4.020 ( 0.233 1.061 -2.562) 2.782 4.064 ( -2.631 -2.946 -0.774) 4.025 4.236 ( -0.129 2.217 -3.331) 4.003 4.264 ( -0.017 -2.414 -3.361) 4.138 4.457 ( 0.965 1.262 -0.074) 1.591 4.463 ( 0.883 -0.073 -0.127) 0.895 4.518 ( 3.983 -0.557 -3.372) 5.249 4.583 ( -5.007 -0.236 -2.590) 5.642 4.976 ( 2.285 4.432 -1.781) 5.295 5.019 ( 2.407 -2.856 -2.931) 4.748 5.702 ( 0.284 1.678 0.854) 1.905 5.723 ( 0.172 -1.625 0.680) 1.770 6.764 ( 0.320 0.275 0.057) 0.426 6.774 ( -0.826 -0.021 -0.541) 0.988 6.892 ( 2.803 0.073 -0.355) 2.827 6.930 ( -2.532 -0.109 -0.519) 2.586 ======================= Grid point 455 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 4.073 0.000 4.481) 6.056 1.662 ( -2.785 -0.000 3.839) 4.743 1.819 ( -2.315 0.000 5.773) 6.220 1.839 ( -2.968 0.000 7.323) 7.902 2.049 ( 5.122 0.000 2.509) 5.704 2.085 ( 2.200 0.000 0.651) 2.295 2.309 ( 3.107 0.000 -1.142) 3.311 2.314 ( 1.012 -0.000 -2.618) 2.807 2.433 ( -2.155 -0.000 -0.587) 2.233 2.501 ( -3.517 -0.000 -1.177) 3.709 2.697 ( 0.736 0.000 -0.579) 0.936 2.715 ( -0.953 -0.000 -1.846) 2.077 2.796 ( 1.472 0.000 3.838) 4.110 2.872 ( 2.545 0.000 6.148) 6.654 2.953 ( -2.607 -0.000 2.122) 3.361 3.004 ( 1.527 0.000 3.091) 3.448 3.098 ( -4.966 -0.000 2.519) 5.568 3.112 ( -2.013 -0.000 2.197) 2.980 3.227 ( 0.982 0.000 1.845) 2.090 3.319 ( -3.017 -0.000 3.321) 4.487 3.516 ( -0.072 -0.000 -2.180) 2.181 3.522 ( -0.728 -0.000 -1.104) 1.322 3.780 ( 2.376 0.000 0.660) 2.466 3.839 ( -1.936 -0.000 0.212) 1.947 3.896 ( 1.996 0.000 0.030) 1.997 3.913 ( -1.467 -0.000 -1.571) 2.150 3.982 ( 0.447 -0.000 -1.779) 1.834 4.080 ( -3.408 -0.000 0.103) 3.410 4.208 ( 0.147 -0.000 -1.889) 1.895 4.210 ( -0.276 -0.000 -0.372) 0.463 4.404 ( 3.211 0.000 -3.522) 4.766 4.451 ( 0.060 -0.000 -0.375) 0.380 4.487 ( 1.730 0.000 1.268) 2.145 4.588 ( -5.343 -0.000 -1.331) 5.506 4.918 ( 4.506 0.000 -3.652) 5.800 4.933 ( 3.364 0.000 -3.817) 5.088 5.710 ( 0.795 0.000 -0.041) 0.796 5.728 ( -0.429 -0.000 0.381) 0.574 6.774 ( -0.168 -0.000 0.183) 0.248 6.775 ( -0.307 0.000 1.030) 1.075 6.863 ( 2.486 0.000 -0.879) 2.637 6.932 ( -2.081 -0.000 -1.043) 2.328 ======================= Grid point 465 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 10.051 7.359) 12.457 1.566 ( 0.000 9.955 5.658) 11.450 1.802 ( 0.000 -5.909 4.529) 7.445 1.920 ( -0.000 -7.908 7.411) 10.838 2.058 ( 0.000 0.323 -2.235) 2.259 2.149 ( -0.000 -4.153 0.880) 4.246 2.325 ( -0.000 -0.972 0.709) 1.203 2.341 ( -0.000 -1.927 -0.773) 2.076 2.426 ( 0.000 1.346 -1.591) 2.084 2.479 ( -0.000 -2.536 -2.463) 3.535 2.664 ( 0.000 4.645 -0.065) 4.645 2.707 ( -0.000 2.217 -0.031) 2.217 2.806 ( 0.000 1.387 2.659) 2.999 2.864 ( 0.000 1.423 2.435) 2.820 2.913 ( -0.000 3.477 7.454) 8.225 3.038 ( -0.000 -0.711 5.816) 5.859 3.040 ( 0.000 1.148 4.067) 4.226 3.122 ( 0.000 -5.090 -1.551) 5.321 3.260 ( -0.000 0.267 2.871) 2.884 3.294 ( 0.000 -2.584 1.116) 2.815 3.505 ( -0.000 0.128 -2.850) 2.852 3.554 ( 0.000 -4.601 -0.564) 4.636 3.797 ( 0.000 2.313 0.721) 2.422 3.807 ( -0.000 0.713 0.288) 0.769 3.894 ( 0.000 1.595 -1.229) 2.014 3.901 ( -0.000 0.511 -1.459) 1.546 4.005 ( 0.000 0.530 1.005) 1.136 4.066 ( -0.000 -4.675 -1.009) 4.782 4.184 ( 0.000 1.781 -1.037) 2.061 4.237 ( -0.000 -2.488 -1.295) 2.805 4.435 ( -0.000 0.340 -2.233) 2.259 4.454 ( 0.000 -1.044 -1.739) 2.028 4.509 ( -0.000 1.168 -0.814) 1.424 4.531 ( 0.000 -0.655 -0.002) 0.655 4.915 ( 0.000 4.282 -3.419) 5.479 4.967 ( -0.000 -0.024 -4.745) 4.745 5.706 ( -0.000 1.234 0.406) 1.299 5.735 ( 0.000 -1.296 -0.176) 1.307 6.771 ( -0.000 0.220 0.486) 0.534 6.772 ( 0.000 0.250 0.915) 0.949 6.888 ( -0.000 0.898 -1.203) 1.501 6.910 ( 0.000 -1.030 -0.728) 1.261 ======================= Grid point 466 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 5.391 3.537 1.591) 6.641 1.676 ( -1.548 4.478 1.464) 4.959 1.812 ( -2.500 1.070 -2.937) 4.003 1.893 ( -2.404 -8.105 -2.875) 8.929 2.114 ( 0.906 3.852 4.541) 6.023 2.146 ( 1.508 -0.837 2.235) 2.823 2.295 ( 2.927 -1.330 -2.344) 3.979 2.317 ( 1.985 -1.648 -1.629) 3.051 2.390 ( 0.163 -0.640 -1.218) 1.385 2.444 ( -5.481 -2.125 -1.461) 6.057 2.672 ( 0.696 3.527 -0.906) 3.707 2.701 ( 0.149 -1.274 -0.674) 1.449 2.847 ( 1.177 0.219 2.043) 2.368 2.888 ( -4.684 0.248 0.670) 4.739 3.039 ( 3.479 1.771 3.307) 5.116 3.071 ( 4.103 -0.639 2.039) 4.626 3.101 ( -1.049 1.432 -0.224) 1.789 3.133 ( -2.364 -0.720 0.986) 2.661 3.279 ( 3.366 -0.527 1.327) 3.656 3.341 ( -4.386 0.443 1.662) 4.711 3.482 ( -0.235 1.234 0.211) 1.274 3.512 ( -0.864 -4.262 -0.528) 4.380 3.812 ( 2.117 1.348 2.066) 3.251 3.841 ( -1.813 0.751 2.115) 2.885 3.877 ( -0.316 1.303 -1.656) 2.131 3.895 ( -1.103 -0.722 -0.166) 1.328 4.009 ( 3.586 -1.430 1.876) 4.292 4.059 ( -3.303 -0.993 0.365) 3.468 4.201 ( 0.989 1.028 1.406) 2.003 4.229 ( -0.934 -1.261 1.964) 2.514 4.378 ( 3.333 0.427 -2.156) 3.992 4.430 ( -2.749 -0.833 -0.763) 2.972 4.517 ( 0.633 0.831 1.108) 1.523 4.548 ( -2.758 -0.385 0.245) 2.796 4.859 ( 1.681 2.826 -4.579) 5.637 4.881 ( 1.577 -0.739 -4.648) 4.963 5.707 ( 0.705 0.465 -0.649) 1.065 5.724 ( -0.696 -0.609 -0.674) 1.144 6.787 ( 0.445 0.261 1.097) 1.213 6.793 ( -0.376 0.112 1.318) 1.375 6.862 ( 2.306 0.366 -1.108) 2.585 6.900 ( -2.247 -0.630 -0.895) 2.500 ======================= Grid point 467 (157/171) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 8.143 0.000 -4.608) 9.356 1.622 ( 8.634 0.000 -6.459) 10.783 1.794 ( -9.541 -0.000 -3.264) 10.084 1.844 ( -6.211 -0.000 -4.215) 7.506 2.156 ( 2.701 0.000 0.589) 2.765 2.193 ( 0.947 0.000 0.932) 1.328 2.223 ( 1.418 0.000 -2.222) 2.636 2.236 ( 1.173 -0.000 -4.260) 4.418 2.403 ( -0.966 -0.000 1.811) 2.053 2.454 ( -4.245 -0.000 -1.504) 4.504 2.658 ( 1.257 0.000 -1.151) 1.705 2.695 ( 0.094 0.000 0.236) 0.254 2.857 ( 0.805 0.000 -1.723) 1.901 2.892 ( -2.222 -0.000 -3.062) 3.783 3.018 ( 6.083 0.000 -3.003) 6.784 3.068 ( -0.029 0.000 0.701) 0.702 3.111 ( -0.955 -0.000 0.314) 1.006 3.117 ( 3.546 0.000 0.410) 3.570 3.277 ( -0.929 -0.000 0.316) 0.982 3.363 ( -2.214 -0.000 -1.096) 2.470 3.520 ( -1.371 -0.000 1.934) 2.371 3.527 ( -0.440 0.000 2.836) 2.870 3.843 ( 0.433 0.000 -0.968) 1.060 3.864 ( 2.193 0.000 2.914) 3.647 3.894 ( -0.117 0.000 1.125) 1.131 3.915 ( -2.995 -0.000 2.881) 4.156 4.035 ( 0.904 0.000 3.063) 3.193 4.089 ( -2.219 -0.000 1.322) 2.583 4.205 ( 3.842 0.000 0.683) 3.903 4.274 ( -0.723 -0.000 1.704) 1.851 4.355 ( 2.220 0.000 2.127) 3.075 4.475 ( -5.371 -0.000 2.944) 6.125 4.541 ( -0.160 0.000 1.628) 1.636 4.564 ( -2.297 -0.000 0.055) 2.298 4.783 ( 1.850 -0.000 -4.647) 5.002 4.785 ( 1.782 0.000 -3.687) 4.095 5.683 ( 0.905 0.000 -1.574) 1.815 5.714 ( -1.313 -0.000 -1.137) 1.737 6.796 ( 1.259 0.000 0.282) 1.290 6.819 ( -0.588 -0.000 1.083) 1.232 6.834 ( 2.292 0.000 -0.009) 2.292 6.905 ( -2.445 -0.000 -0.021) 2.445 ======================= Grid point 476 (158/171) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.000 3.268 -0.441) 3.298 1.637 ( 0.000 5.026 -2.721) 5.715 1.701 ( 0.000 0.203 -6.695) 6.698 1.838 ( -0.000 -7.609 -6.530) 10.027 2.149 ( -0.000 4.551 0.574) 4.587 2.160 ( 0.000 3.351 -0.135) 3.353 2.234 ( -0.000 0.733 -5.042) 5.095 2.279 ( -0.000 -4.181 -4.327) 6.017 2.412 ( 0.000 -2.195 0.755) 2.321 2.466 ( -0.000 -6.373 1.993) 6.677 2.653 ( 0.000 2.749 0.646) 2.823 2.707 ( -0.000 -1.796 0.774) 1.955 2.848 ( -0.000 2.279 -2.655) 3.499 2.858 ( 0.000 1.462 -3.327) 3.634 3.039 ( -0.000 5.117 -1.536) 5.342 3.071 ( 0.000 -0.249 -0.906) 0.939 3.115 ( -0.000 1.171 0.867) 1.456 3.130 ( -0.000 -3.868 -0.206) 3.873 3.323 ( -0.000 -1.141 -0.243) 1.167 3.325 ( 0.000 -2.091 1.369) 2.500 3.513 ( 0.000 0.108 3.036) 3.038 3.538 ( -0.000 -3.273 0.900) 3.394 3.831 ( -0.000 3.107 -0.913) 3.238 3.869 ( 0.000 3.023 3.195) 4.399 3.883 ( -0.000 0.988 3.308) 3.452 3.894 ( 0.000 -2.013 0.296) 2.035 4.058 ( -0.000 -1.353 1.419) 1.961 4.084 ( -0.000 -2.482 2.826) 3.762 4.238 ( -0.000 0.939 1.984) 2.195 4.266 ( -0.000 -1.141 1.508) 1.891 4.364 ( -0.000 3.322 0.983) 3.464 4.441 ( 0.000 -3.104 2.468) 3.965 4.520 ( 0.000 2.466 0.696) 2.562 4.559 ( -0.000 -0.626 1.086) 1.253 4.764 ( -0.000 3.420 -4.942) 6.010 4.813 ( -0.000 -0.615 -4.109) 4.154 5.693 ( -0.000 0.234 -1.140) 1.163 5.705 ( 0.000 -0.761 -1.651) 1.818 6.808 ( 0.000 0.318 0.641) 0.716 6.809 ( -0.000 0.259 1.215) 1.242 6.847 ( -0.000 1.733 -0.625) 1.842 6.894 ( 0.000 -2.231 0.269) 2.247 ======================= Grid point 478 (159/171) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 10.256 0.891 -6.446) 12.146 1.562 ( 9.083 1.274 -7.319) 11.734 1.665 ( -9.389 0.649 -3.162) 9.929 1.732 ( -7.816 -4.115 -4.483) 9.905 2.091 ( 0.658 2.153 -7.493) 7.824 2.108 ( -0.687 0.074 -6.824) 6.859 2.208 ( 1.405 2.158 -3.130) 4.053 2.225 ( 0.249 1.115 0.490) 1.243 2.404 ( 1.134 -1.361 -1.978) 2.656 2.436 ( -1.421 -4.494 -0.562) 4.746 2.671 ( 3.505 0.729 0.450) 3.608 2.708 ( 1.530 -1.320 -0.271) 2.039 2.778 ( -0.151 1.671 -4.850) 5.132 2.805 ( -5.222 0.766 -3.281) 6.214 3.024 ( 4.955 2.460 -0.129) 5.533 3.075 ( -0.070 0.458 -0.004) 0.463 3.105 ( -0.276 -0.254 -0.364) 0.523 3.131 ( -1.919 -2.741 0.162) 3.350 3.311 ( 2.723 -0.367 2.294) 3.579 3.353 ( -2.028 -1.730 0.978) 2.840 3.543 ( -0.121 0.235 0.814) 0.855 3.560 ( -1.268 -1.031 1.260) 2.063 3.830 ( 1.947 0.973 -0.143) 2.182 3.873 ( -3.124 0.870 -1.089) 3.421 3.940 ( 1.778 1.478 3.536) 4.225 3.961 ( -1.118 0.259 3.128) 3.332 4.088 ( 0.814 0.009 2.699) 2.819 4.114 ( -0.856 -2.648 2.119) 3.497 4.249 ( 3.688 0.207 1.403) 3.951 4.287 ( -1.802 0.236 1.303) 2.236 4.433 ( 2.857 2.408 4.424) 5.790 4.497 ( -2.816 -0.652 2.615) 3.898 4.555 ( -0.771 2.217 1.897) 3.018 4.582 ( -1.402 -1.709 2.453) 3.302 4.700 ( -0.094 2.810 -4.519) 5.322 4.735 ( -0.076 -2.577 -3.861) 4.643 5.660 ( 1.246 -0.213 -1.983) 2.352 5.680 ( -1.616 -0.134 -1.766) 2.397 6.801 ( 1.683 0.032 -0.640) 1.801 6.821 ( -1.206 0.131 -0.160) 1.224 6.862 ( 1.992 1.032 1.584) 2.747 6.904 ( -2.086 -1.265 1.329) 2.778 ======================= Grid point 479 (160/171) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 13.609 0.000 -8.294) 15.937 1.348 ( 14.301 0.000 -7.936) 16.356 1.693 ( -10.292 -0.000 -1.780) 10.444 1.717 ( -6.936 -0.000 -2.496) 7.371 1.971 ( 1.772 -0.000 -7.932) 8.127 1.974 ( -0.338 -0.000 -8.073) 8.080 2.135 ( 1.650 -0.000 -6.136) 6.354 2.166 ( 5.152 0.000 -3.563) 6.264 2.330 ( -3.176 -0.000 -5.116) 6.022 2.448 ( -2.247 -0.000 0.727) 2.361 2.637 ( 1.716 0.000 -0.524) 1.794 2.665 ( 1.253 0.000 -1.767) 2.166 2.758 ( 2.021 0.000 1.331) 2.420 2.841 ( -5.429 -0.000 1.461) 5.622 2.994 ( 4.262 0.000 -0.487) 4.289 3.069 ( 3.874 0.000 0.699) 3.937 3.111 ( -2.291 -0.000 -0.666) 2.386 3.134 ( -1.152 -0.000 0.818) 1.413 3.340 ( 0.197 0.000 1.375) 1.389 3.363 ( 0.451 0.000 0.422) 0.618 3.560 ( -2.200 -0.000 -1.170) 2.491 3.570 ( -2.686 -0.000 0.737) 2.785 3.842 ( 0.583 0.000 2.625) 2.689 3.868 ( -0.809 -0.000 -2.153) 2.300 3.983 ( 1.145 0.000 0.301) 1.184 3.992 ( -0.067 0.000 2.457) 2.458 4.128 ( 0.959 0.000 0.771) 1.231 4.149 ( -0.550 0.000 4.261) 4.297 4.267 ( 4.027 0.000 3.748) 5.501 4.334 ( -1.570 -0.000 2.465) 2.923 4.477 ( 2.430 0.000 1.836) 3.046 4.511 ( 1.106 0.000 -0.725) 1.322 4.595 ( 0.503 0.000 1.706) 1.779 4.621 ( -0.329 -0.000 -2.010) 2.037 4.680 ( -3.381 -0.000 -2.584) 4.255 4.688 ( -4.715 -0.000 2.841) 5.505 5.617 ( 1.125 0.000 -1.989) 2.285 5.664 ( -2.180 -0.000 -1.549) 2.674 6.775 ( 2.162 0.000 -0.749) 2.288 6.827 ( -1.575 -0.000 -0.223) 1.590 6.874 ( 2.597 0.000 1.380) 2.940 6.944 ( -2.318 -0.000 1.687) 2.867 ======================= Grid point 480 (161/171) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 19.118 0.000 -0.000) 19.118 1.195 ( 17.360 0.000 -0.000) 17.360 1.656 ( -14.090 -0.000 0.000) 14.090 1.686 ( -7.942 -0.000 0.000) 7.942 1.819 ( 12.413 0.000 -0.000) 12.413 1.846 ( 7.869 0.000 -0.000) 7.869 1.971 ( -1.411 -0.000 0.000) 1.411 2.094 ( -4.727 -0.000 0.000) 4.727 2.201 ( -1.682 -0.000 0.000) 1.682 2.441 ( -5.561 -0.000 0.000) 5.561 2.645 ( 0.685 0.000 -0.000) 0.685 2.652 ( 1.717 0.000 -0.000) 1.717 2.814 ( 5.729 0.000 -0.000) 5.729 2.908 ( -0.456 -0.000 0.000) 0.456 2.966 ( 0.799 0.000 -0.000) 0.799 3.061 ( -3.951 -0.000 0.000) 3.951 3.105 ( 1.365 0.000 -0.000) 1.365 3.160 ( -1.074 -0.000 0.000) 1.074 3.344 ( 2.475 0.000 -0.000) 2.475 3.369 ( 0.173 0.000 -0.000) 0.173 3.536 ( -5.002 -0.000 0.000) 5.002 3.558 ( -4.592 -0.000 0.000) 4.592 3.842 ( 3.986 0.000 -0.000) 3.986 3.930 ( -1.126 -0.000 0.000) 1.126 3.979 ( 0.350 0.000 -0.000) 0.350 4.002 ( -2.569 -0.000 0.000) 2.569 4.150 ( 3.079 0.000 -0.000) 3.079 4.238 ( -2.344 -0.000 0.000) 2.344 4.376 ( -0.066 -0.000 0.000) 0.066 4.388 ( 0.222 0.000 -0.000) 0.222 4.466 ( 4.319 0.000 -0.000) 4.319 4.494 ( 3.034 0.000 -0.000) 3.034 4.565 ( -1.767 -0.000 0.000) 1.767 4.611 ( -2.333 -0.000 0.000) 2.333 4.644 ( 1.982 0.000 -0.000) 1.982 4.759 ( -4.720 -0.000 0.000) 4.720 5.578 ( 1.258 0.000 -0.000) 1.258 5.634 ( -2.672 -0.000 0.000) 2.672 6.762 ( 2.380 0.000 -0.000) 2.380 6.822 ( -2.017 -0.000 0.000) 2.017 6.899 ( 2.978 0.000 -0.000) 2.978 6.978 ( -2.568 -0.000 0.000) 2.568 ======================= Grid point 488 (162/171) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 2.054 -5.480) 5.853 1.497 ( -0.000 -3.274 -6.280) 7.082 1.560 ( 0.000 2.304 -2.867) 3.678 1.666 ( 0.000 -6.007 -3.469) 6.936 1.946 ( -0.000 2.362 -7.764) 8.116 1.991 ( 0.000 -0.026 -5.748) 5.748 2.094 ( 0.000 5.847 -7.205) 9.278 2.198 ( -0.000 2.757 -2.355) 3.626 2.405 ( 0.000 -5.817 -3.953) 7.033 2.417 ( -0.000 -3.540 -1.913) 4.024 2.659 ( 0.000 0.249 -3.719) 3.727 2.661 ( -0.000 0.140 -2.007) 2.012 2.765 ( 0.000 1.775 3.528) 3.949 2.804 ( -0.000 -1.397 3.917) 4.159 3.015 ( -0.000 3.979 -1.111) 4.131 3.059 ( -0.000 0.344 -0.421) 0.543 3.131 ( -2.435 -2.286 -0.144) 3.342 3.131 ( 2.435 -2.490 0.678) 3.548 3.364 ( -0.000 -0.705 1.679) 1.821 3.372 ( 0.000 -2.389 0.673) 2.482 3.531 ( -0.000 -0.130 -1.189) 1.196 3.575 ( -0.000 -2.683 -0.640) 2.758 3.828 ( -0.000 3.509 -0.367) 3.528 3.850 ( -0.000 1.421 1.738) 2.245 3.971 ( 0.000 2.088 0.488) 2.144 3.994 ( -0.000 0.326 1.390) 1.428 4.139 ( 0.000 -1.110 2.589) 2.817 4.170 ( -0.000 -2.923 2.728) 3.998 4.294 ( 0.000 1.842 2.111) 2.802 4.303 ( -0.000 1.445 2.509) 2.895 4.466 ( 0.000 3.930 1.099) 4.080 4.529 ( -0.000 0.156 1.217) 1.227 4.593 ( -0.000 2.014 3.936) 4.421 4.602 ( 0.000 2.405 -2.483) 3.457 4.644 ( -0.000 -2.096 1.875) 2.813 4.692 ( 0.000 -3.541 -2.981) 4.629 5.637 ( -0.000 -0.198 -1.968) 1.977 5.640 ( 0.000 -0.427 -1.730) 1.782 6.800 ( 0.000 0.318 -0.563) 0.646 6.805 ( -0.000 -0.126 -0.444) 0.461 6.895 ( -0.000 1.145 2.039) 2.339 6.928 ( 0.000 -1.679 1.146) 2.033 ======================= Grid point 490 (163/171) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 15.126 -0.886 -5.479) 16.112 1.341 ( 11.483 -2.032 -4.285) 12.424 1.582 ( -10.944 1.778 -1.840) 11.239 1.631 ( -10.847 -2.572 -2.034) 11.332 1.868 ( 3.489 4.847 -2.589) 6.509 1.918 ( 2.546 -2.999 -1.533) 4.222 2.019 ( 1.213 6.164 -5.414) 8.293 2.123 ( -2.665 -4.402 -5.852) 7.792 2.260 ( 9.105 -0.859 -3.262) 9.710 2.411 ( -8.814 -2.696 -1.653) 9.364 2.641 ( 0.130 1.476 0.230) 1.500 2.650 ( 0.189 0.077 0.216) 0.298 2.823 ( 4.746 0.776 3.419) 5.900 2.872 ( -1.212 -1.263 3.961) 4.330 2.989 ( 0.985 0.638 -2.266) 2.552 3.043 ( -5.247 -0.046 -2.877) 5.984 3.121 ( 3.625 0.306 1.229) 3.840 3.149 ( -0.619 -0.975 0.990) 1.521 3.359 ( 1.773 -0.234 0.072) 1.790 3.375 ( -0.290 -1.764 0.009) 1.787 3.521 ( -1.891 0.355 -0.972) 2.156 3.545 ( -3.224 -1.608 -1.455) 3.886 3.854 ( 2.255 2.308 0.819) 3.329 3.888 ( -1.386 0.045 2.440) 2.807 3.979 ( 0.534 2.394 -0.420) 2.488 4.001 ( -1.171 -0.396 -0.670) 1.406 4.164 ( 2.690 -0.838 1.473) 3.179 4.204 ( -2.065 -1.819 2.206) 3.527 4.341 ( 1.510 2.430 2.728) 3.953 4.362 ( -1.051 1.437 2.113) 2.763 4.485 ( 2.664 3.291 -0.104) 4.236 4.528 ( 1.170 -2.911 -0.194) 3.144 4.571 ( -0.693 1.606 -1.701) 2.440 4.616 ( -1.943 -2.278 -2.239) 3.738 4.650 ( 2.772 -0.114 1.685) 3.246 4.706 ( -4.729 -0.154 2.260) 5.243 5.599 ( 1.620 -0.183 -1.198) 2.023 5.626 ( -2.286 -0.056 -1.039) 2.512 6.781 ( 2.221 -0.079 -0.345) 2.249 6.810 ( -1.987 0.111 -0.224) 2.003 6.912 ( 2.784 -0.087 0.945) 2.941 6.951 ( -2.590 -0.214 0.959) 2.770 ======================= Grid point 500 (164/171) ======================= q-point: (-0.10 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 -3.681 -0.341) 3.697 1.338 ( -0.000 -3.681 0.341) 3.697 1.540 ( 0.000 0.178 -1.585) 1.595 1.540 ( -0.000 0.178 1.585) 1.595 1.864 ( 0.000 6.453 -3.018) 7.124 1.864 ( -0.000 6.453 3.018) 7.124 2.025 ( 0.000 -2.420 -5.046) 5.596 2.025 ( -0.000 -2.420 5.046) 5.596 2.335 ( 0.000 -4.661 -0.103) 4.663 2.335 ( -0.000 -4.661 0.103) 4.663 2.642 ( 0.000 2.166 -0.656) 2.263 2.642 ( 0.000 2.166 0.656) 2.263 2.913 ( 0.000 0.642 -3.180) 3.244 2.913 ( -0.000 0.642 3.180) 3.244 2.963 ( 0.000 -1.797 -4.055) 4.435 2.963 ( -0.000 -1.797 4.055) 4.435 3.152 ( 0.000 0.237 -0.672) 0.713 3.152 ( -0.000 0.237 0.672) 0.713 3.375 ( 0.000 -1.401 -0.108) 1.406 3.375 ( -0.000 -1.401 0.108) 1.406 3.518 ( 0.000 -1.763 -0.871) 1.967 3.518 ( -0.000 -1.763 0.871) 1.967 3.879 ( 0.000 2.564 -1.106) 2.792 3.879 ( -0.000 2.564 1.106) 2.792 3.974 ( 0.000 1.543 -1.408) 2.089 3.974 ( 0.000 1.543 1.408) 2.089 4.212 ( 0.000 -2.487 -0.805) 2.614 4.212 ( -0.000 -2.487 0.805) 2.614 4.352 ( 0.000 4.736 -0.437) 4.756 4.352 ( -0.000 4.736 0.437) 4.756 4.504 ( 0.000 1.209 -1.351) 1.813 4.504 ( -0.000 1.209 1.351) 1.813 4.586 ( -0.000 -2.748 -1.821) 3.297 4.586 ( -0.000 -2.748 1.821) 3.297 4.693 ( 0.000 0.068 -0.065) 0.094 4.693 ( -0.000 0.068 0.065) 0.094 5.602 ( 0.000 -0.183 -0.035) 0.186 5.602 ( -0.000 -0.183 0.035) 0.186 6.793 ( 0.000 -0.017 -0.027) 0.032 6.793 ( -0.000 -0.017 0.027) 0.032 6.942 ( 0.000 -0.269 -0.259) 0.373 6.942 ( -0.000 -0.269 0.259) 0.373 ======================= Grid point 541 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -5.422 -13.612 0.000) 14.652 1.112 ( -5.422 13.612 -0.000) 14.652 1.263 ( -2.789 -15.927 0.000) 16.170 1.263 ( -2.789 15.927 -0.000) 16.170 2.085 ( 1.725 -21.900 0.000) 21.968 2.085 ( 1.725 21.900 -0.000) 21.968 2.268 ( 3.135 -1.717 0.000) 3.574 2.268 ( 3.135 1.717 0.000) 3.574 2.430 ( 2.170 -2.539 0.000) 3.340 2.430 ( 2.170 2.539 0.000) 3.340 2.541 ( 0.532 -0.080 0.000) 0.538 2.541 ( 0.532 0.080 0.000) 0.538 2.611 ( -7.238 -2.241 0.000) 7.577 2.611 ( -7.238 2.241 -0.000) 7.577 3.004 ( 0.997 -4.488 0.000) 4.597 3.004 ( 0.997 4.488 -0.000) 4.597 3.094 ( 0.625 -4.889 0.000) 4.929 3.094 ( 0.625 4.889 -0.000) 4.929 3.315 ( -0.715 -3.775 0.000) 3.842 3.315 ( -0.715 3.775 -0.000) 3.842 3.495 ( -5.222 -3.499 0.000) 6.286 3.495 ( -5.222 3.499 -0.000) 6.286 3.792 ( -0.349 -3.284 0.000) 3.303 3.792 ( -0.349 3.284 -0.000) 3.303 3.927 ( 0.799 -1.331 0.000) 1.552 3.927 ( 0.799 1.331 -0.000) 1.552 4.187 ( -0.780 -0.796 0.000) 1.114 4.187 ( -0.780 0.796 -0.000) 1.114 4.353 ( 1.084 -1.948 0.000) 2.229 4.353 ( 1.084 1.948 -0.000) 2.229 4.430 ( -0.527 -2.691 0.000) 2.742 4.430 ( -0.527 2.691 -0.000) 2.742 4.739 ( 1.154 -2.020 0.000) 2.326 4.739 ( 1.154 2.020 -0.000) 2.326 4.930 ( 5.151 -7.191 0.000) 8.845 4.930 ( 5.151 7.191 -0.000) 8.845 5.667 ( 0.876 -1.962 0.000) 2.148 5.667 ( 0.876 1.962 -0.000) 2.148 6.815 ( 1.821 -0.632 0.000) 1.927 6.815 ( 1.821 0.632 0.000) 1.927 6.899 ( -2.377 -0.810 0.000) 2.511 6.899 ( -2.377 0.810 0.000) 2.511 ======================= Grid point 553 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 -12.899 0.000) 12.899 1.073 ( 0.000 12.899 -0.000) 12.899 1.245 ( -0.000 -15.443 0.000) 15.443 1.245 ( 0.000 15.443 -0.000) 15.443 2.094 ( -0.000 -29.086 0.000) 29.086 2.094 ( 0.000 29.086 -0.000) 29.086 2.288 ( -0.000 -2.384 0.000) 2.384 2.288 ( 0.000 2.384 -0.000) 2.384 2.474 ( -0.000 -4.776 0.000) 4.776 2.474 ( 0.000 4.776 -0.000) 4.776 2.510 ( -0.000 -6.661 0.000) 6.661 2.510 ( 0.000 6.661 -0.000) 6.661 2.571 ( -0.000 -0.273 0.000) 0.273 2.571 ( 0.000 0.273 -0.000) 0.273 3.008 ( -0.000 -1.126 0.000) 1.126 3.008 ( 0.000 1.126 -0.000) 1.126 3.105 ( -0.000 -6.731 0.000) 6.731 3.105 ( 0.000 6.731 -0.000) 6.731 3.311 ( -0.000 -1.824 0.000) 1.824 3.311 ( 0.000 1.824 -0.000) 1.824 3.454 ( -0.000 -4.583 0.000) 4.583 3.454 ( 0.000 4.583 -0.000) 4.583 3.787 ( -0.000 -2.447 0.000) 2.447 3.787 ( 0.000 2.447 -0.000) 2.447 3.937 ( -0.000 -0.722 0.000) 0.722 3.937 ( 0.000 0.722 -0.000) 0.722 4.179 ( -0.000 -0.553 0.000) 0.553 4.179 ( 0.000 0.553 -0.000) 0.553 4.360 ( -0.000 -2.593 0.000) 2.593 4.360 ( 0.000 2.593 -0.000) 2.593 4.427 ( -0.000 -2.584 0.000) 2.584 4.427 ( 0.000 2.584 -0.000) 2.584 4.747 ( -0.000 -2.541 0.000) 2.541 4.747 ( 0.000 2.541 -0.000) 2.541 4.967 ( -0.000 -8.778 0.000) 8.778 4.967 ( 0.000 8.778 -0.000) 8.778 5.673 ( -0.000 -2.090 0.000) 2.090 5.673 ( 0.000 2.090 -0.000) 2.090 6.836 ( -0.000 -1.189 0.000) 1.189 6.836 ( 0.000 1.189 -0.000) 1.189 6.875 ( -0.000 -1.505 0.000) 1.505 6.875 ( 0.000 1.505 -0.000) 1.505 ======================= Grid point 565 (167/171) ======================= q-point: ( 0.60 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.291 0.000 9.429) 9.517 1.353 ( 1.291 0.000 9.429) 9.517 1.447 ( -0.030 0.000 12.300) 12.300 1.447 ( 0.030 0.000 12.300) 12.300 2.077 ( -0.048 0.000 0.086) 0.098 2.077 ( 0.048 0.000 0.086) 0.098 2.315 ( -2.806 -0.000 1.065) 3.001 2.315 ( 2.806 0.000 1.065) 3.001 2.482 ( -0.294 0.000 0.040) 0.296 2.482 ( 0.294 0.000 0.040) 0.296 2.595 ( -0.562 0.000 5.335) 5.364 2.595 ( 0.562 0.000 5.335) 5.364 2.684 ( -3.806 0.000 5.990) 7.097 2.684 ( 3.806 0.000 5.990) 7.097 2.876 ( -0.206 0.000 -3.481) 3.488 2.876 ( 0.206 0.000 -3.481) 3.488 3.139 ( -0.176 0.000 -1.688) 1.697 3.139 ( 0.176 0.000 -1.688) 1.697 3.251 ( -0.363 0.000 -2.169) 2.199 3.251 ( 0.363 0.000 -2.169) 2.199 3.506 ( -1.529 0.000 2.555) 2.978 3.506 ( 1.529 0.000 2.555) 2.978 3.797 ( -1.590 0.000 0.318) 1.622 3.797 ( 1.590 0.000 0.318) 1.622 3.939 ( -0.110 0.000 -0.031) 0.114 3.939 ( 0.110 0.000 -0.031) 0.114 4.080 ( -0.519 -0.000 -3.565) 3.602 4.080 ( 0.519 0.000 -3.565) 3.602 4.309 ( -0.003 0.000 -3.308) 3.308 4.309 ( 0.003 0.000 -3.308) 3.308 4.456 ( -0.004 0.000 0.935) 0.935 4.456 ( 0.004 0.000 0.935) 0.935 4.614 ( -2.484 -0.000 -4.541) 5.176 4.614 ( 2.484 0.000 -4.541) 5.176 5.027 ( -0.011 0.000 0.238) 0.238 5.027 ( 0.011 0.000 0.238) 0.238 5.697 ( -0.002 0.000 1.082) 1.082 5.697 ( 0.002 0.000 1.082) 1.082 6.782 ( -1.149 -0.000 -1.322) 1.751 6.782 ( 1.149 0.000 -1.322) 1.751 6.911 ( -2.996 -0.000 0.512) 3.040 6.911 ( 2.996 0.000 0.512) 3.040 ======================= Grid point 577 (168/171) ======================= q-point: ( 0.70 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -2.496 0.000 5.057) 5.640 1.602 ( 2.496 0.000 5.057) 5.640 1.811 ( -0.055 0.000 6.027) 6.027 1.811 ( 0.055 0.000 6.027) 6.027 2.094 ( -0.159 0.000 1.303) 1.313 2.094 ( 0.159 0.000 1.303) 1.313 2.325 ( -0.161 0.000 -0.505) 0.530 2.325 ( 0.161 0.000 -0.505) 0.530 2.449 ( -2.232 -0.000 -2.627) 3.447 2.449 ( 2.232 0.000 -2.627) 3.447 2.707 ( -0.025 0.000 -0.488) 0.489 2.707 ( 0.025 0.000 -0.488) 0.489 2.831 ( -2.473 0.000 1.906) 3.123 2.831 ( 2.473 0.000 1.906) 3.123 2.993 ( -1.536 0.000 7.914) 8.062 2.993 ( 1.536 0.000 7.914) 8.062 3.072 ( -0.810 0.000 1.322) 1.550 3.072 ( 0.810 0.000 1.322) 1.550 3.269 ( -3.194 0.000 2.504) 4.059 3.269 ( 3.194 0.000 2.504) 4.059 3.516 ( -0.007 0.000 -2.071) 2.071 3.516 ( 0.007 0.000 -2.071) 2.071 3.812 ( -2.134 -0.000 0.627) 2.224 3.812 ( 2.134 0.000 0.627) 2.224 3.904 ( -0.000 0.000 -1.523) 1.523 3.904 ( 0.000 0.000 -1.523) 1.523 4.022 ( -2.869 0.000 -0.057) 2.870 4.022 ( 2.869 0.000 -0.057) 2.870 4.209 ( -0.000 0.000 -1.178) 1.178 4.209 ( 0.000 0.000 -1.178) 1.178 4.443 ( -1.191 0.000 -2.351) 2.636 4.443 ( 1.191 0.000 -2.351) 2.636 4.521 ( -3.422 -0.000 -0.116) 3.424 4.521 ( 3.422 0.000 -0.116) 3.424 4.953 ( -0.070 0.000 -3.989) 3.990 4.953 ( 0.070 0.000 -3.989) 3.990 5.720 ( -0.180 0.000 0.082) 0.198 5.720 ( 0.180 0.000 0.082) 0.198 6.773 ( -0.000 0.000 0.722) 0.722 6.773 ( 0.000 0.000 0.722) 0.722 6.899 ( -2.171 0.000 -1.005) 2.393 6.899 ( 2.171 0.000 -1.005) 2.393 ======================= Grid point 589 (169/171) ======================= q-point: (-0.20 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -7.301 -0.000 -2.450) 7.702 1.653 ( 7.301 0.000 -2.450) 7.702 1.749 ( -2.872 0.000 -6.196) 6.829 1.749 ( 2.872 0.000 -6.196) 6.829 2.187 ( -1.408 -0.000 0.888) 1.665 2.187 ( 1.408 0.000 0.888) 1.665 2.239 ( -0.111 0.000 -4.553) 4.554 2.239 ( 0.111 0.000 -4.553) 4.554 2.412 ( -0.740 0.000 1.026) 1.265 2.412 ( 0.740 0.000 1.026) 1.265 2.683 ( -0.708 0.000 0.233) 0.745 2.683 ( 0.708 0.000 0.233) 0.745 2.864 ( -0.790 -0.000 -2.442) 2.567 2.864 ( 0.790 0.000 -2.442) 2.567 3.075 ( -0.298 -0.000 -0.968) 1.013 3.075 ( 0.298 0.000 -0.968) 1.013 3.111 ( -1.836 -0.000 -0.412) 1.882 3.111 ( 1.836 0.000 -0.412) 1.882 3.313 ( -4.747 -0.000 0.119) 4.748 3.313 ( 4.747 0.000 0.119) 4.748 3.517 ( -0.299 0.000 2.412) 2.430 3.517 ( 0.299 0.000 2.412) 2.430 3.863 ( -1.222 0.000 -0.534) 1.334 3.863 ( 1.222 0.000 -0.534) 1.334 3.890 ( -1.464 0.000 3.654) 3.936 3.890 ( 1.464 0.000 3.654) 3.936 4.059 ( -1.314 0.000 2.027) 2.416 4.059 ( 1.314 0.000 2.027) 2.416 4.251 ( -1.825 -0.000 1.737) 2.519 4.251 ( 1.825 0.000 1.737) 2.519 4.403 ( -2.683 0.000 2.224) 3.485 4.403 ( 2.683 0.000 2.224) 3.485 4.545 ( -0.136 0.000 0.950) 0.959 4.545 ( 0.136 0.000 0.950) 0.959 4.797 ( -0.001 0.000 -4.845) 4.845 4.797 ( 0.001 0.000 -4.845) 4.845 5.697 ( -0.902 -0.000 -1.432) 1.692 5.697 ( 0.902 0.000 -1.432) 1.692 6.810 ( -0.786 -0.000 0.802) 1.122 6.810 ( 0.786 0.000 0.802) 1.122 6.869 ( -1.468 0.000 -0.081) 1.471 6.869 ( 1.468 0.000 -0.081) 1.471 ======================= Grid point 601 (170/171) ======================= q-point: (-0.10 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -3.483 0.000 -6.780) 7.622 1.461 ( 3.483 0.000 -6.780) 7.622 1.602 ( -1.965 0.000 -2.705) 3.344 1.602 ( 1.965 0.000 -2.705) 3.344 1.975 ( -0.038 0.000 -6.696) 6.696 1.975 ( 0.038 0.000 -6.696) 6.696 2.176 ( -0.822 0.000 -5.186) 5.251 2.176 ( 0.822 0.000 -5.186) 5.251 2.379 ( -6.697 -0.000 -2.561) 7.170 2.379 ( 6.697 0.000 -2.561) 7.170 2.662 ( -1.567 -0.000 -2.505) 2.955 2.662 ( 1.567 0.000 -2.505) 2.955 2.787 ( -1.356 0.000 3.310) 3.577 2.787 ( 1.356 0.000 3.310) 3.577 3.053 ( -3.509 -0.000 -1.726) 3.910 3.053 ( 3.509 0.000 -1.726) 3.910 3.114 ( -2.008 -0.000 1.271) 2.376 3.114 ( 2.008 0.000 1.271) 2.376 3.358 ( -1.445 -0.000 1.156) 1.851 3.358 ( 1.445 0.000 1.156) 1.851 3.546 ( -0.025 0.000 -1.028) 1.028 3.546 ( 0.025 0.000 -1.028) 1.028 3.853 ( -0.514 -0.000 0.765) 0.922 3.853 ( 0.514 0.000 0.765) 0.922 3.992 ( -0.008 0.000 0.952) 0.952 3.992 ( 0.008 0.000 0.952) 0.952 4.141 ( -0.186 0.000 2.705) 2.711 4.141 ( 0.186 0.000 2.705) 2.711 4.308 ( -2.101 -0.000 2.898) 3.579 4.308 ( 2.101 0.000 2.898) 3.579 4.508 ( -0.384 0.000 0.947) 1.022 4.508 ( 0.384 0.000 0.947) 1.022 4.616 ( -0.794 0.000 3.107) 3.207 4.616 ( 0.794 0.000 3.107) 3.207 4.647 ( -0.041 0.000 -3.242) 3.243 4.647 ( 0.041 0.000 -3.242) 3.243 5.636 ( -1.750 -0.000 -1.826) 2.529 5.636 ( 1.750 0.000 -1.826) 2.529 6.803 ( -1.884 -0.000 -0.538) 1.959 6.803 ( 1.884 0.000 -0.538) 1.959 6.910 ( -1.751 0.000 1.592) 2.367 6.910 ( 1.751 0.000 1.592) 2.367 ======================= Grid point 603 (171/171) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -7.181 -0.000 0.000) 7.181 1.316 ( 7.181 0.000 -0.000) 7.181 1.541 ( -5.214 -0.000 0.000) 5.214 1.541 ( 5.214 0.000 -0.000) 5.214 1.919 ( -0.351 -0.000 0.000) 0.351 1.919 ( 0.351 0.000 -0.000) 0.351 1.996 ( -6.818 -0.000 0.000) 6.818 1.996 ( 6.818 0.000 -0.000) 6.818 2.306 ( -12.585 -0.000 0.000) 12.585 2.306 ( 12.585 0.000 -0.000) 12.585 2.655 ( -0.757 -0.000 0.000) 0.757 2.655 ( 0.757 0.000 -0.000) 0.757 2.918 ( -4.874 -0.000 0.000) 4.874 2.918 ( 4.874 0.000 -0.000) 4.874 2.951 ( -2.032 -0.000 0.000) 2.032 2.951 ( 2.032 0.000 -0.000) 2.032 3.153 ( -1.536 -0.000 0.000) 1.536 3.153 ( 1.536 0.000 -0.000) 1.536 3.365 ( -0.833 -0.000 0.000) 0.833 3.365 ( 0.833 0.000 -0.000) 0.833 3.509 ( -1.338 -0.000 0.000) 1.338 3.509 ( 1.338 0.000 -0.000) 1.338 3.894 ( -3.543 -0.000 0.000) 3.543 3.894 ( 3.543 0.000 -0.000) 3.543 3.985 ( -0.507 -0.000 0.000) 0.507 3.985 ( 0.507 0.000 -0.000) 0.507 4.196 ( -3.505 -0.000 0.000) 3.505 4.196 ( 3.505 0.000 -0.000) 3.505 4.381 ( -0.736 -0.000 0.000) 0.736 4.381 ( 0.736 0.000 -0.000) 0.736 4.512 ( -1.913 -0.000 0.000) 1.913 4.512 ( 1.913 0.000 -0.000) 1.913 4.567 ( -3.014 -0.000 0.000) 3.014 4.567 ( 3.014 0.000 -0.000) 3.014 4.694 ( -4.602 -0.000 0.000) 4.602 4.694 ( 4.602 0.000 -0.000) 4.602 5.601 ( -2.149 -0.000 0.000) 2.149 5.601 ( 2.149 0.000 -0.000) 2.149 6.793 ( -2.255 -0.000 0.000) 2.255 6.793 ( 2.255 0.000 -0.000) 2.255 6.940 ( -2.949 -0.000 0.000) 2.949 6.940 ( 2.949 0.000 -0.000) 2.949 =================== 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 3/42000 10.0 678.413 768.922 481.958 -0.000 0.000 0.000 3/42000 20.0 76.443 80.053 66.914 -0.000 -0.000 0.000 3/42000 30.0 26.857 27.340 24.698 -0.000 -0.000 0.000 3/42000 40.0 14.572 14.620 13.532 -0.000 -0.000 0.000 3/42000 50.0 9.737 9.686 9.040 -0.000 -0.000 0.000 3/42000 60.0 7.283 7.206 6.745 -0.000 -0.000 0.000 3/42000 70.0 5.827 5.744 5.381 -0.000 -0.000 0.000 3/42000 80.0 4.868 4.785 4.484 -0.000 -0.000 0.000 3/42000 90.0 4.189 4.109 3.851 -0.000 -0.000 0.000 3/42000 100.0 3.682 3.606 3.379 -0.000 -0.000 0.000 3/42000 110.0 3.289 3.217 3.015 -0.000 -0.000 0.000 3/42000 120.0 2.975 2.907 2.723 -0.000 -0.000 0.000 3/42000 130.0 2.717 2.653 2.485 -0.000 -0.000 0.000 3/42000 140.0 2.502 2.441 2.287 -0.000 -0.000 0.000 3/42000 150.0 2.320 2.262 2.119 -0.000 -0.000 0.000 3/42000 160.0 2.163 2.108 1.974 -0.000 -0.000 0.000 3/42000 170.0 2.026 1.974 1.849 -0.000 -0.000 0.000 3/42000 180.0 1.906 1.856 1.739 -0.000 -0.000 0.000 3/42000 190.0 1.800 1.752 1.641 -0.000 -0.000 0.000 3/42000 200.0 1.705 1.660 1.554 -0.000 -0.000 0.000 3/42000 210.0 1.620 1.577 1.476 -0.000 -0.000 0.000 3/42000 220.0 1.544 1.501 1.406 -0.000 -0.000 0.000 3/42000 230.0 1.474 1.433 1.342 -0.000 -0.000 0.000 3/42000 240.0 1.410 1.371 1.284 -0.000 -0.000 0.000 3/42000 250.0 1.352 1.314 1.231 -0.000 -0.000 0.000 3/42000 260.0 1.298 1.262 1.182 -0.000 -0.000 0.000 3/42000 270.0 1.249 1.214 1.137 -0.000 -0.000 0.000 3/42000 280.0 1.203 1.169 1.095 -0.000 -0.000 0.000 3/42000 290.0 1.161 1.128 1.056 -0.000 -0.000 0.000 3/42000 300.0 1.121 1.089 1.020 -0.000 -0.000 0.000 3/42000 310.0 1.084 1.053 0.986 -0.000 -0.000 0.000 3/42000 320.0 1.049 1.020 0.955 -0.000 -0.000 0.000 3/42000 330.0 1.017 0.988 0.925 -0.000 -0.000 0.000 3/42000 340.0 0.987 0.958 0.897 -0.000 -0.000 0.000 3/42000 350.0 0.958 0.931 0.871 -0.000 -0.000 0.000 3/42000 360.0 0.931 0.904 0.847 -0.000 -0.000 0.000 3/42000 370.0 0.905 0.879 0.823 -0.000 -0.000 0.000 3/42000 380.0 0.881 0.856 0.801 -0.000 -0.000 0.000 3/42000 390.0 0.858 0.834 0.780 -0.000 -0.000 0.000 3/42000 400.0 0.837 0.813 0.761 -0.000 -0.000 0.000 3/42000 410.0 0.816 0.792 0.742 -0.000 -0.000 0.000 3/42000 420.0 0.796 0.773 0.724 -0.000 -0.000 0.000 3/42000 430.0 0.778 0.755 0.707 -0.000 -0.000 0.000 3/42000 440.0 0.760 0.738 0.691 -0.000 -0.000 0.000 3/42000 450.0 0.743 0.721 0.675 -0.000 -0.000 0.000 3/42000 460.0 0.726 0.705 0.660 -0.000 -0.000 0.000 3/42000 470.0 0.711 0.690 0.646 -0.000 -0.000 0.000 3/42000 480.0 0.696 0.676 0.633 -0.000 -0.000 0.000 3/42000 490.0 0.682 0.662 0.620 -0.000 -0.000 0.000 3/42000 500.0 0.668 0.648 0.607 -0.000 -0.000 0.000 3/42000 510.0 0.655 0.636 0.595 -0.000 -0.000 0.000 3/42000 520.0 0.642 0.623 0.583 -0.000 -0.000 0.000 3/42000 530.0 0.630 0.611 0.572 -0.000 -0.000 0.000 3/42000 540.0 0.618 0.600 0.562 -0.000 -0.000 0.000 3/42000 550.0 0.607 0.589 0.551 -0.000 -0.000 0.000 3/42000 560.0 0.596 0.578 0.541 -0.000 -0.000 0.000 3/42000 570.0 0.585 0.568 0.532 -0.000 -0.000 0.000 3/42000 580.0 0.575 0.558 0.523 -0.000 -0.000 0.000 3/42000 590.0 0.565 0.549 0.514 -0.000 -0.000 0.000 3/42000 600.0 0.556 0.540 0.505 -0.000 -0.000 0.000 3/42000 610.0 0.547 0.531 0.497 -0.000 -0.000 0.000 3/42000 620.0 0.538 0.522 0.489 -0.000 -0.000 0.000 3/42000 630.0 0.529 0.514 0.481 -0.000 -0.000 0.000 3/42000 640.0 0.521 0.506 0.473 -0.000 -0.000 0.000 3/42000 650.0 0.513 0.498 0.466 -0.000 -0.000 0.000 3/42000 660.0 0.505 0.490 0.459 -0.000 -0.000 0.000 3/42000 670.0 0.498 0.483 0.452 -0.000 -0.000 0.000 3/42000 680.0 0.490 0.476 0.445 -0.000 -0.000 0.000 3/42000 690.0 0.483 0.469 0.439 -0.000 -0.000 0.000 3/42000 700.0 0.476 0.462 0.433 -0.000 -0.000 0.000 3/42000 710.0 0.469 0.456 0.427 -0.000 -0.000 0.000 3/42000 720.0 0.463 0.449 0.421 -0.000 -0.000 0.000 3/42000 730.0 0.456 0.443 0.415 -0.000 -0.000 0.000 3/42000 740.0 0.450 0.437 0.409 -0.000 -0.000 0.000 3/42000 750.0 0.444 0.431 0.404 -0.000 -0.000 0.000 3/42000 760.0 0.438 0.426 0.398 -0.000 -0.000 0.000 3/42000 770.0 0.433 0.420 0.393 -0.000 -0.000 0.000 3/42000 780.0 0.427 0.415 0.388 -0.000 -0.000 0.000 3/42000 790.0 0.422 0.409 0.383 -0.000 -0.000 0.000 3/42000 800.0 0.416 0.404 0.378 -0.000 -0.000 0.000 3/42000 810.0 0.411 0.399 0.374 -0.000 -0.000 0.000 3/42000 820.0 0.406 0.394 0.369 -0.000 -0.000 0.000 3/42000 830.0 0.401 0.390 0.365 -0.000 -0.000 0.000 3/42000 840.0 0.397 0.385 0.360 -0.000 -0.000 0.000 3/42000 850.0 0.392 0.380 0.356 -0.000 -0.000 0.000 3/42000 860.0 0.387 0.376 0.352 -0.000 -0.000 0.000 3/42000 870.0 0.383 0.372 0.348 -0.000 -0.000 0.000 3/42000 880.0 0.378 0.367 0.344 -0.000 -0.000 0.000 3/42000 890.0 0.374 0.363 0.340 -0.000 -0.000 0.000 3/42000 900.0 0.370 0.359 0.336 -0.000 -0.000 0.000 3/42000 910.0 0.366 0.355 0.333 -0.000 -0.000 0.000 3/42000 920.0 0.362 0.351 0.329 -0.000 -0.000 0.000 3/42000 930.0 0.358 0.348 0.325 -0.000 -0.000 0.000 3/42000 940.0 0.354 0.344 0.322 -0.000 -0.000 0.000 3/42000 950.0 0.351 0.340 0.318 -0.000 -0.000 0.000 3/42000 960.0 0.347 0.337 0.315 -0.000 -0.000 0.000 3/42000 970.0 0.343 0.333 0.312 -0.000 -0.000 0.000 3/42000 980.0 0.340 0.330 0.309 -0.000 -0.000 0.000 3/42000 990.0 0.336 0.326 0.306 -0.000 -0.000 0.000 3/42000 1000.0 0.333 0.323 0.303 -0.000 -0.000 0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:21:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|