----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:39:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.352808390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): *1 Li 0.06155656743426 0.75000000000000 0.04717211331488 6.941 *2 Li 0.08995554760588 0.25000000000000 0.21117767587141 6.941 *3 Li 0.06244023319079 0.25000000000000 0.72022024224162 6.941 *4 Li 0.29574927419572 0.50556347163532 0.34577827280475 6.941 5 Li 0.29574927419572 0.99443652836468 0.34577827280475 6.941 6 Li 0.20425072580428 0.00556347163532 0.84577827280475 6.941 7 Li 0.20425072580428 0.49443652836468 0.84577827280475 6.941 8 Li 0.43755976680921 0.75000000000000 0.22022024224162 6.941 9 Li 0.41004445239412 0.75000000000000 0.71117767587141 6.941 10 Li 0.43844343256574 0.25000000000000 0.54717211331488 6.941 11 Li 0.56155656743426 0.75000000000000 0.45282788668512 6.941 12 Li 0.58995554760588 0.25000000000000 0.28882232412859 6.941 13 Li 0.56244023319079 0.25000000000000 0.77977975775838 6.941 14 Li 0.79574927419572 0.50556347163532 0.15422172719525 6.941 15 Li 0.79574927419572 0.99443652836468 0.15422172719525 6.941 16 Li 0.70425072580428 0.00556347163532 0.65422172719525 6.941 17 Li 0.70425072580428 0.49443652836468 0.65422172719525 6.941 18 Li 0.93755976680921 0.75000000000000 0.27977975775838 6.941 19 Li 0.91004445239412 0.75000000000000 0.78882232412859 6.941 20 Li 0.93844343256574 0.25000000000000 0.95282788668512 6.941 *21 Cu 0.00319082224357 0.75000000000000 0.52605729834829 63.546 22 Cu 0.49680917775643 0.25000000000000 0.02605729834829 63.546 23 Cu 0.50319082224357 0.75000000000000 0.97394270165171 63.546 24 Cu 0.99680917775643 0.25000000000000 0.47394270165171 63.546 *25 H 0.27355353415040 0.48318906983644 0.10416914414281 1.008 26 H 0.27355353415040 0.01681093016356 0.10416914414281 1.008 27 H 0.22644646584960 0.98318906983645 0.60416914414281 1.008 28 H 0.22644646584960 0.51681093016355 0.60416914414281 1.008 29 H 0.77355353415040 0.48318906983644 0.39583085585719 1.008 30 H 0.77355353415040 0.01681093016356 0.39583085585719 1.008 31 H 0.72644646584960 0.98318906983645 0.89583085585719 1.008 32 H 0.72644646584960 0.51681093016355 0.89583085585719 1.008 *33 O 0.17015016220416 0.54308268243799 0.16989209988630 15.999 34 O 0.17015016220416 0.95691731756201 0.16989209988630 15.999 *35 O 0.22723181905787 0.75000000000000 0.40133145729143 15.999 *36 O 0.27006243364147 0.25000000000000 0.37339625198402 15.999 37 O 0.22993756635853 0.75000000000000 0.87339625198402 15.999 38 O 0.27276818094213 0.25000000000000 0.90133145729143 15.999 39 O 0.32984983779584 0.04308268243799 0.66989209988630 15.999 40 O 0.32984983779584 0.45691731756201 0.66989209988630 15.999 41 O 0.67015016220416 0.95691731756201 0.33010790011370 15.999 42 O 0.67015016220416 0.54308268243799 0.33010790011370 15.999 43 O 0.72723181905787 0.75000000000000 0.09866854270857 15.999 44 O 0.77006243364147 0.25000000000000 0.12660374801598 15.999 45 O 0.72993756635853 0.75000000000000 0.62660374801598 15.999 46 O 0.77276818094213 0.25000000000000 0.59866854270857 15.999 47 O 0.82984983779584 0.04308268243799 0.83010790011370 15.999 48 O 0.82984983779584 0.45691731756201 0.83010790011370 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.352808390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): *1 Li 0.06155656743426 0.75000000000000 0.04717211331488 6.941 > 1 *2 Li 0.08995554760588 0.25000000000000 0.21117767587141 6.941 > 2 *3 Li 0.06244023319079 0.25000000000000 0.72022024224162 6.941 > 3 *4 Li 0.29574927419572 0.50556347163532 0.34577827280475 6.941 > 4 5 Li 0.29574927419572 0.99443652836468 0.34577827280475 6.941 > 5 6 Li 0.20425072580428 0.00556347163532 0.84577827280475 6.941 > 6 7 Li 0.20425072580428 0.49443652836468 0.84577827280475 6.941 > 7 8 Li 0.43755976680921 0.75000000000000 0.22022024224162 6.941 > 8 9 Li 0.41004445239412 0.75000000000000 0.71117767587141 6.941 > 9 10 Li 0.43844343256574 0.25000000000000 0.54717211331488 6.941 > 10 11 Li 0.56155656743426 0.75000000000000 0.45282788668512 6.941 > 11 12 Li 0.58995554760588 0.25000000000000 0.28882232412859 6.941 > 12 13 Li 0.56244023319079 0.25000000000000 0.77977975775838 6.941 > 13 14 Li 0.79574927419572 0.50556347163532 0.15422172719525 6.941 > 14 15 Li 0.79574927419572 0.99443652836468 0.15422172719525 6.941 > 15 16 Li 0.70425072580428 0.00556347163532 0.65422172719525 6.941 > 16 17 Li 0.70425072580428 0.49443652836468 0.65422172719525 6.941 > 17 18 Li 0.93755976680921 0.75000000000000 0.27977975775838 6.941 > 18 19 Li 0.91004445239412 0.75000000000000 0.78882232412859 6.941 > 19 20 Li 0.93844343256574 0.25000000000000 0.95282788668512 6.941 > 20 *21 Cu 0.00319082224357 0.75000000000000 0.52605729834829 63.546 > 21 22 Cu 0.49680917775643 0.25000000000000 0.02605729834829 63.546 > 22 23 Cu 0.50319082224357 0.75000000000000 0.97394270165171 63.546 > 23 24 Cu 0.99680917775643 0.25000000000000 0.47394270165171 63.546 > 24 *25 H 0.27355353415040 0.48318906983644 0.10416914414281 1.008 > 25 26 H 0.27355353415040 0.01681093016356 0.10416914414281 1.008 > 26 27 H 0.22644646584960 0.98318906983645 0.60416914414281 1.008 > 27 28 H 0.22644646584960 0.51681093016355 0.60416914414281 1.008 > 28 29 H 0.77355353415040 0.48318906983644 0.39583085585719 1.008 > 29 30 H 0.77355353415040 0.01681093016356 0.39583085585719 1.008 > 30 31 H 0.72644646584960 0.98318906983645 0.89583085585719 1.008 > 31 32 H 0.72644646584960 0.51681093016355 0.89583085585719 1.008 > 32 *33 O 0.17015016220416 0.54308268243799 0.16989209988630 15.999 > 33 34 O 0.17015016220416 0.95691731756201 0.16989209988630 15.999 > 34 *35 O 0.22723181905787 0.75000000000000 0.40133145729143 15.999 > 35 *36 O 0.27006243364147 0.25000000000000 0.37339625198402 15.999 > 36 37 O 0.22993756635853 0.75000000000000 0.87339625198402 15.999 > 37 38 O 0.27276818094213 0.25000000000000 0.90133145729143 15.999 > 38 39 O 0.32984983779584 0.04308268243799 0.66989209988630 15.999 > 39 40 O 0.32984983779584 0.45691731756201 0.66989209988630 15.999 > 40 41 O 0.67015016220416 0.95691731756201 0.33010790011370 15.999 > 41 42 O 0.67015016220416 0.54308268243799 0.33010790011370 15.999 > 42 43 O 0.72723181905787 0.75000000000000 0.09866854270857 15.999 > 43 44 O 0.77006243364147 0.25000000000000 0.12660374801598 15.999 > 44 45 O 0.72993756635853 0.75000000000000 0.62660374801598 15.999 > 45 46 O 0.77276818094213 0.25000000000000 0.59866854270857 15.999 > 46 47 O 0.82984983779584 0.04308268243799 0.83010790011370 15.999 > 47 48 O 0.82984983779584 0.45691731756201 0.83010790011370 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.705616780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): *1 Li 0.03077828371713 0.75000000000000 0.04717211331488 6.941 > 1 2 Li 0.53077828371713 0.75000000000000 0.04717211331488 6.941 > 1 *3 Li 0.04497777380294 0.25000000000000 0.21117767587141 6.941 > 2 4 Li 0.54497777380294 0.25000000000000 0.21117767587141 6.941 > 2 *5 Li 0.03122011659539 0.25000000000000 0.72022024224162 6.941 > 3 6 Li 0.53122011659540 0.25000000000000 0.72022024224162 6.941 > 3 *7 Li 0.14787463709786 0.50556347163532 0.34577827280475 6.941 > 4 8 Li 0.64787463709786 0.50556347163532 0.34577827280475 6.941 > 4 9 Li 0.14787463709786 0.99443652836468 0.34577827280475 6.941 > 5 10 Li 0.64787463709786 0.99443652836468 0.34577827280475 6.941 > 5 11 Li 0.10212536290214 0.00556347163532 0.84577827280475 6.941 > 6 12 Li 0.60212536290214 0.00556347163532 0.84577827280475 6.941 > 6 13 Li 0.10212536290214 0.49443652836468 0.84577827280475 6.941 > 7 14 Li 0.60212536290214 0.49443652836468 0.84577827280475 6.941 > 7 15 Li 0.21877988340460 0.75000000000000 0.22022024224162 6.941 > 8 16 Li 0.71877988340460 0.75000000000000 0.22022024224162 6.941 > 8 17 Li 0.20502222619706 0.75000000000000 0.71117767587141 6.941 > 9 18 Li 0.70502222619706 0.75000000000000 0.71117767587141 6.941 > 9 19 Li 0.21922171628287 0.25000000000000 0.54717211331488 6.941 > 10 20 Li 0.71922171628287 0.25000000000000 0.54717211331488 6.941 > 10 21 Li 0.28077828371713 0.75000000000000 0.45282788668512 6.941 > 11 22 Li 0.78077828371713 0.75000000000000 0.45282788668512 6.941 > 11 23 Li 0.29497777380294 0.25000000000000 0.28882232412859 6.941 > 12 24 Li 0.79497777380294 0.25000000000000 0.28882232412859 6.941 > 12 25 Li 0.28122011659539 0.25000000000000 0.77977975775838 6.941 > 13 26 Li 0.78122011659539 0.25000000000000 0.77977975775838 6.941 > 13 27 Li 0.39787463709786 0.50556347163532 0.15422172719525 6.941 > 14 28 Li 0.89787463709786 0.50556347163532 0.15422172719525 6.941 > 14 29 Li 0.39787463709786 0.99443652836468 0.15422172719525 6.941 > 15 30 Li 0.89787463709786 0.99443652836468 0.15422172719525 6.941 > 15 31 Li 0.35212536290214 0.00556347163532 0.65422172719525 6.941 > 16 32 Li 0.85212536290214 0.00556347163532 0.65422172719525 6.941 > 16 33 Li 0.35212536290214 0.49443652836468 0.65422172719525 6.941 > 17 34 Li 0.85212536290214 0.49443652836468 0.65422172719525 6.941 > 17 35 Li 0.46877988340461 0.75000000000000 0.27977975775838 6.941 > 18 36 Li 0.96877988340461 0.75000000000000 0.27977975775838 6.941 > 18 37 Li 0.45502222619706 0.75000000000000 0.78882232412859 6.941 > 19 38 Li 0.95502222619706 0.75000000000000 0.78882232412859 6.941 > 19 39 Li 0.46922171628287 0.25000000000000 0.95282788668512 6.941 > 20 40 Li 0.96922171628287 0.25000000000000 0.95282788668512 6.941 > 20 *41 Cu 0.00159541112179 0.75000000000000 0.52605729834829 63.546 > 21 42 Cu 0.50159541112179 0.75000000000000 0.52605729834829 63.546 > 21 43 Cu 0.24840458887821 0.25000000000000 0.02605729834829 63.546 > 22 44 Cu 0.74840458887821 0.25000000000000 0.02605729834829 63.546 > 22 45 Cu 0.25159541112179 0.75000000000000 0.97394270165171 63.546 > 23 46 Cu 0.75159541112179 0.75000000000000 0.97394270165171 63.546 > 23 47 Cu 0.49840458887821 0.25000000000000 0.47394270165171 63.546 > 24 48 Cu 0.99840458887821 0.25000000000000 0.47394270165171 63.546 > 24 *49 H 0.13677676707520 0.48318906983644 0.10416914414281 1.008 > 25 50 H 0.63677676707520 0.48318906983644 0.10416914414281 1.008 > 25 51 H 0.13677676707520 0.01681093016356 0.10416914414281 1.008 > 26 52 H 0.63677676707520 0.01681093016356 0.10416914414281 1.008 > 26 53 H 0.11322323292480 0.98318906983645 0.60416914414281 1.008 > 27 54 H 0.61322323292480 0.98318906983645 0.60416914414281 1.008 > 27 55 H 0.11322323292480 0.51681093016355 0.60416914414281 1.008 > 28 56 H 0.61322323292480 0.51681093016355 0.60416914414281 1.008 > 28 57 H 0.38677676707520 0.48318906983644 0.39583085585719 1.008 > 29 58 H 0.88677676707520 0.48318906983644 0.39583085585719 1.008 > 29 59 H 0.38677676707520 0.01681093016356 0.39583085585719 1.008 > 30 60 H 0.88677676707520 0.01681093016356 0.39583085585719 1.008 > 30 61 H 0.36322323292480 0.98318906983645 0.89583085585719 1.008 > 31 62 H 0.86322323292480 0.98318906983645 0.89583085585719 1.008 > 31 63 H 0.36322323292480 0.51681093016355 0.89583085585719 1.008 > 32 64 H 0.86322323292480 0.51681093016355 0.89583085585719 1.008 > 32 *65 O 0.08507508110208 0.54308268243799 0.16989209988630 15.999 > 33 66 O 0.58507508110208 0.54308268243799 0.16989209988630 15.999 > 33 67 O 0.08507508110208 0.95691731756201 0.16989209988630 15.999 > 34 68 O 0.58507508110208 0.95691731756201 0.16989209988630 15.999 > 34 *69 O 0.11361590952893 0.75000000000000 0.40133145729143 15.999 > 35 70 O 0.61361590952893 0.75000000000000 0.40133145729143 15.999 > 35 *71 O 0.13503121682074 0.25000000000000 0.37339625198402 15.999 > 36 72 O 0.63503121682074 0.25000000000000 0.37339625198402 15.999 > 36 73 O 0.11496878317926 0.75000000000000 0.87339625198402 15.999 > 37 74 O 0.61496878317926 0.75000000000000 0.87339625198402 15.999 > 37 75 O 0.13638409047107 0.25000000000000 0.90133145729143 15.999 > 38 76 O 0.63638409047107 0.25000000000000 0.90133145729143 15.999 > 38 77 O 0.16492491889792 0.04308268243799 0.66989209988630 15.999 > 39 78 O 0.66492491889792 0.04308268243799 0.66989209988630 15.999 > 39 79 O 0.16492491889792 0.45691731756201 0.66989209988630 15.999 > 40 80 O 0.66492491889792 0.45691731756201 0.66989209988630 15.999 > 40 81 O 0.33507508110208 0.95691731756201 0.33010790011370 15.999 > 41 82 O 0.83507508110208 0.95691731756201 0.33010790011370 15.999 > 41 83 O 0.33507508110208 0.54308268243799 0.33010790011370 15.999 > 42 84 O 0.83507508110208 0.54308268243799 0.33010790011370 15.999 > 42 85 O 0.36361590952893 0.75000000000000 0.09866854270857 15.999 > 43 86 O 0.86361590952893 0.75000000000000 0.09866854270857 15.999 > 43 87 O 0.38503121682074 0.25000000000000 0.12660374801598 15.999 > 44 88 O 0.88503121682074 0.25000000000000 0.12660374801598 15.999 > 44 89 O 0.36496878317926 0.75000000000000 0.62660374801598 15.999 > 45 90 O 0.86496878317926 0.75000000000000 0.62660374801598 15.999 > 45 91 O 0.38638409047107 0.25000000000000 0.59866854270857 15.999 > 46 92 O 0.88638409047107 0.25000000000000 0.59866854270857 15.999 > 46 93 O 0.41492491889792 0.04308268243799 0.83010790011370 15.999 > 47 94 O 0.91492491889792 0.04308268243799 0.83010790011370 15.999 > 47 95 O 0.41492491889792 0.45691731756201 0.83010790011370 15.999 > 48 96 O 0.91492491889792 0.45691731756201 0.83010790011370 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4106846 0.0000000 0.0000000 0.0000000 3.6562955 0.0000000 0.0000000 0.0000000 3.3780748 -------------------------- Born effective charges -------------------------- 1 Li 1.2459041 0.0000000 -0.1249897 0.0000000 0.8853621 0.0000000 -0.0383210 0.0000000 0.8097545 2 Li 1.1233298 0.0000000 0.0197270 0.0000000 0.9666181 0.0000000 0.0215276 0.0000000 1.2082990 3 Li 1.0716061 0.0000000 0.0672962 0.0000000 1.0724949 0.0000000 0.0575763 0.0000000 1.4112048 4 Li 0.9602973 0.0464705 -0.0938540 0.0223966 1.0571069 0.0141248 0.0224247 0.0546788 0.9757457 5 Li 0.9602973 -0.0464705 -0.0938540 -0.0223966 1.0571069 -0.0141248 0.0224247 -0.0546788 0.9757457 6 Li 0.9602973 -0.0464705 0.0938540 -0.0223966 1.0571069 0.0141248 -0.0224247 0.0546788 0.9757457 7 Li 0.9602973 0.0464705 0.0938540 0.0223966 1.0571069 -0.0141248 -0.0224247 -0.0546788 0.9757457 8 Li 1.0716061 0.0000000 -0.0672962 0.0000000 1.0724949 0.0000000 -0.0575763 0.0000000 1.4112048 9 Li 1.1233298 0.0000000 -0.0197270 0.0000000 0.9666181 0.0000000 -0.0215276 0.0000000 1.2082990 10 Li 1.2459041 0.0000000 0.1249897 0.0000000 0.8853621 0.0000000 0.0383210 0.0000000 0.8097545 11 Li 1.2459041 0.0000000 0.1249897 0.0000000 0.8853621 0.0000000 0.0383210 0.0000000 0.8097545 12 Li 1.1233298 0.0000000 -0.0197270 0.0000000 0.9666181 0.0000000 -0.0215276 0.0000000 1.2082990 13 Li 1.0716061 0.0000000 -0.0672962 0.0000000 1.0724949 0.0000000 -0.0575763 0.0000000 1.4112048 14 Li 0.9602973 0.0464705 0.0938540 0.0223966 1.0571069 -0.0141248 -0.0224247 -0.0546788 0.9757457 15 Li 0.9602973 -0.0464705 0.0938540 -0.0223966 1.0571069 0.0141248 -0.0224247 0.0546788 0.9757457 16 Li 0.9602973 -0.0464705 -0.0938540 -0.0223966 1.0571069 -0.0141248 0.0224247 -0.0546788 0.9757457 17 Li 0.9602973 0.0464705 -0.0938540 0.0223966 1.0571069 0.0141248 0.0224247 0.0546788 0.9757457 18 Li 1.0716061 0.0000000 0.0672962 0.0000000 1.0724949 0.0000000 0.0575763 0.0000000 1.4112048 19 Li 1.1233298 0.0000000 0.0197270 0.0000000 0.9666181 0.0000000 0.0215276 0.0000000 1.2082990 20 Li 1.2459041 0.0000000 -0.1249897 0.0000000 0.8853621 0.0000000 -0.0383210 0.0000000 0.8097545 21 Cu 0.7403237 0.0000000 -0.7302622 0.0000000 -0.3497487 0.0000000 -0.7596259 0.0000000 0.5494399 22 Cu 0.7403237 0.0000000 0.7302622 0.0000000 -0.3497487 0.0000000 0.7596259 0.0000000 0.5494399 23 Cu 0.7403237 0.0000000 0.7302622 0.0000000 -0.3497487 0.0000000 0.7596259 0.0000000 0.5494399 24 Cu 0.7403237 0.0000000 -0.7302622 0.0000000 -0.3497487 0.0000000 -0.7596259 0.0000000 0.5494399 25 H 0.3981216 -0.0439003 -0.0321613 -0.1330850 0.6649034 0.0608767 -0.0401459 0.0308187 0.2915163 26 H 0.3981216 0.0439003 -0.0321613 0.1330850 0.6649034 -0.0608767 -0.0401459 -0.0308187 0.2915163 27 H 0.3981216 0.0439003 0.0321613 0.1330850 0.6649034 0.0608767 0.0401459 0.0308187 0.2915163 28 H 0.3981216 -0.0439003 0.0321613 -0.1330850 0.6649034 -0.0608767 0.0401459 -0.0308187 0.2915163 29 H 0.3981216 -0.0439003 0.0321613 -0.1330850 0.6649034 -0.0608767 0.0401459 -0.0308187 0.2915163 30 H 0.3981216 0.0439003 0.0321613 0.1330850 0.6649034 0.0608767 0.0401459 0.0308187 0.2915163 31 H 0.3981216 0.0439003 -0.0321613 0.1330850 0.6649034 -0.0608767 -0.0401459 -0.0308187 0.2915163 32 H 0.3981216 -0.0439003 -0.0321613 -0.1330850 0.6649034 0.0608767 -0.0401459 0.0308187 0.2915163 33 O -1.6071943 -0.0148009 0.1701081 0.0864519 -1.7361295 0.0054383 0.0656254 0.0073247 -1.5563823 34 O -1.6071943 0.0148009 0.1701081 -0.0864519 -1.7361295 -0.0054383 0.0656254 -0.0073247 -1.5563823 35 O -1.7072016 0.0000000 0.5113331 0.0000000 -1.3469867 0.0000000 0.4762241 0.0000000 -1.7965406 36 O -1.9764114 0.0000000 0.5170170 0.0000000 -1.1995012 0.0000000 0.4386565 0.0000000 -1.6039172 37 O -1.9764114 0.0000000 -0.5170170 0.0000000 -1.1995012 0.0000000 -0.4386565 0.0000000 -1.6039172 38 O -1.7072016 0.0000000 -0.5113331 0.0000000 -1.3469867 0.0000000 -0.4762241 0.0000000 -1.7965406 39 O -1.6071943 0.0148009 -0.1701081 -0.0864519 -1.7361295 0.0054383 -0.0656254 0.0073247 -1.5563823 40 O -1.6071943 -0.0148009 -0.1701081 0.0864519 -1.7361295 -0.0054383 -0.0656254 -0.0073247 -1.5563823 41 O -1.6071943 0.0148009 -0.1701081 -0.0864519 -1.7361295 0.0054383 -0.0656254 0.0073247 -1.5563823 42 O -1.6071943 -0.0148009 -0.1701081 0.0864519 -1.7361295 -0.0054383 -0.0656254 -0.0073247 -1.5563823 43 O -1.7072016 0.0000000 -0.5113331 0.0000000 -1.3469867 0.0000000 -0.4762241 0.0000000 -1.7965406 44 O -1.9764114 0.0000000 -0.5170170 0.0000000 -1.1995012 0.0000000 -0.4386565 0.0000000 -1.6039172 45 O -1.9764114 0.0000000 0.5170170 0.0000000 -1.1995012 0.0000000 0.4386565 0.0000000 -1.6039172 46 O -1.7072016 0.0000000 0.5113331 0.0000000 -1.3469867 0.0000000 0.4762241 0.0000000 -1.7965406 47 O -1.6071943 0.0148009 0.1701081 -0.0864519 -1.7361295 -0.0054383 0.0656254 -0.0073247 -1.5563823 48 O -1.6071943 -0.0148009 0.1701081 0.0864519 -1.7361295 0.0054383 0.0656254 0.0073247 -1.5563823 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2772 Number of blocks in projector: 2772 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: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 396 Use standard eigh solver. Tree of FC basis block matrices: - (2772, 2715), data: False |-- (396, 387), data: True |-- (396, 387), data: True |-- (396, 387), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.693 Solver_block: 200 / 720 - Time: 0.578 Solver_block: 300 / 720 - Time: 0.573 Solver_block: 400 / 720 - Time: 0.576 Solver_block: 500 / 720 - Time: 0.579 Solver_block: 600 / 720 - Time: 0.576 Solver_block: 700 / 720 - Time: 0.567 Solver_block: 720 / 720 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.478 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2772 Number of blocks in projector: 2772 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: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 396 Use standard eigh solver. Tree of FC basis block matrices: - (2772, 2715), data: False |-- (396, 387), data: True |-- (396, 387), data: True |-- (396, 387), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 01:40:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:40:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.352808390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): 1 Li 0.06155656743426 0.75000000000000 0.04717211331488 6.941 2 Li 0.08995554760588 0.25000000000000 0.21117767587141 6.941 3 Li 0.06244023319079 0.25000000000000 0.72022024224162 6.941 4 Li 0.29574927419572 0.50556347163532 0.34577827280475 6.941 5 Li 0.29574927419572 0.99443652836468 0.34577827280475 6.941 6 Li 0.20425072580428 0.00556347163532 0.84577827280475 6.941 7 Li 0.20425072580428 0.49443652836468 0.84577827280475 6.941 8 Li 0.43755976680921 0.75000000000000 0.22022024224162 6.941 9 Li 0.41004445239412 0.75000000000000 0.71117767587141 6.941 10 Li 0.43844343256574 0.25000000000000 0.54717211331488 6.941 11 Li 0.56155656743426 0.75000000000000 0.45282788668512 6.941 12 Li 0.58995554760588 0.25000000000000 0.28882232412859 6.941 13 Li 0.56244023319079 0.25000000000000 0.77977975775838 6.941 14 Li 0.79574927419572 0.50556347163532 0.15422172719525 6.941 15 Li 0.79574927419572 0.99443652836468 0.15422172719525 6.941 16 Li 0.70425072580428 0.00556347163532 0.65422172719525 6.941 17 Li 0.70425072580428 0.49443652836468 0.65422172719525 6.941 18 Li 0.93755976680921 0.75000000000000 0.27977975775838 6.941 19 Li 0.91004445239412 0.75000000000000 0.78882232412859 6.941 20 Li 0.93844343256574 0.25000000000000 0.95282788668512 6.941 21 Cu 0.00319082224357 0.75000000000000 0.52605729834829 63.546 22 Cu 0.49680917775643 0.25000000000000 0.02605729834829 63.546 23 Cu 0.50319082224357 0.75000000000000 0.97394270165171 63.546 24 Cu 0.99680917775643 0.25000000000000 0.47394270165171 63.546 25 H 0.27355353415040 0.48318906983644 0.10416914414281 1.008 26 H 0.27355353415040 0.01681093016356 0.10416914414281 1.008 27 H 0.22644646584960 0.98318906983645 0.60416914414281 1.008 28 H 0.22644646584960 0.51681093016355 0.60416914414281 1.008 29 H 0.77355353415040 0.48318906983644 0.39583085585719 1.008 30 H 0.77355353415040 0.01681093016356 0.39583085585719 1.008 31 H 0.72644646584960 0.98318906983645 0.89583085585719 1.008 32 H 0.72644646584960 0.51681093016355 0.89583085585719 1.008 33 O 0.17015016220416 0.54308268243799 0.16989209988630 15.999 34 O 0.17015016220416 0.95691731756201 0.16989209988630 15.999 35 O 0.22723181905787 0.75000000000000 0.40133145729143 15.999 36 O 0.27006243364147 0.25000000000000 0.37339625198402 15.999 37 O 0.22993756635853 0.75000000000000 0.87339625198402 15.999 38 O 0.27276818094213 0.25000000000000 0.90133145729143 15.999 39 O 0.32984983779584 0.04308268243799 0.66989209988630 15.999 40 O 0.32984983779584 0.45691731756201 0.66989209988630 15.999 41 O 0.67015016220416 0.95691731756201 0.33010790011370 15.999 42 O 0.67015016220416 0.54308268243799 0.33010790011370 15.999 43 O 0.72723181905787 0.75000000000000 0.09866854270857 15.999 44 O 0.77006243364147 0.25000000000000 0.12660374801598 15.999 45 O 0.72993756635853 0.75000000000000 0.62660374801598 15.999 46 O 0.77276818094213 0.25000000000000 0.59866854270857 15.999 47 O 0.82984983779584 0.04308268243799 0.83010790011370 15.999 48 O 0.82984983779584 0.45691731756201 0.83010790011370 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.705616780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): 1 Li 0.03077828371713 0.75000000000000 0.04717211331488 6.941 > 1 2 Li 0.53077828371713 0.75000000000000 0.04717211331488 6.941 > 1 3 Li 0.04497777380294 0.25000000000000 0.21117767587141 6.941 > 3 4 Li 0.54497777380294 0.25000000000000 0.21117767587141 6.941 > 3 5 Li 0.03122011659539 0.25000000000000 0.72022024224162 6.941 > 5 6 Li 0.53122011659540 0.25000000000000 0.72022024224162 6.941 > 5 7 Li 0.14787463709786 0.50556347163532 0.34577827280475 6.941 > 7 8 Li 0.64787463709786 0.50556347163532 0.34577827280475 6.941 > 7 9 Li 0.14787463709786 0.99443652836468 0.34577827280475 6.941 > 9 10 Li 0.64787463709786 0.99443652836468 0.34577827280475 6.941 > 9 11 Li 0.10212536290214 0.00556347163532 0.84577827280475 6.941 > 11 12 Li 0.60212536290214 0.00556347163532 0.84577827280475 6.941 > 11 13 Li 0.10212536290214 0.49443652836468 0.84577827280475 6.941 > 13 14 Li 0.60212536290214 0.49443652836468 0.84577827280475 6.941 > 13 15 Li 0.21877988340460 0.75000000000000 0.22022024224162 6.941 > 15 16 Li 0.71877988340460 0.75000000000000 0.22022024224162 6.941 > 15 17 Li 0.20502222619706 0.75000000000000 0.71117767587141 6.941 > 17 18 Li 0.70502222619706 0.75000000000000 0.71117767587141 6.941 > 17 19 Li 0.21922171628287 0.25000000000000 0.54717211331488 6.941 > 19 20 Li 0.71922171628287 0.25000000000000 0.54717211331488 6.941 > 19 21 Li 0.28077828371713 0.75000000000000 0.45282788668512 6.941 > 21 22 Li 0.78077828371713 0.75000000000000 0.45282788668512 6.941 > 21 23 Li 0.29497777380294 0.25000000000000 0.28882232412859 6.941 > 23 24 Li 0.79497777380294 0.25000000000000 0.28882232412859 6.941 > 23 25 Li 0.28122011659539 0.25000000000000 0.77977975775838 6.941 > 25 26 Li 0.78122011659539 0.25000000000000 0.77977975775838 6.941 > 25 27 Li 0.39787463709786 0.50556347163532 0.15422172719525 6.941 > 27 28 Li 0.89787463709786 0.50556347163532 0.15422172719525 6.941 > 27 29 Li 0.39787463709786 0.99443652836468 0.15422172719525 6.941 > 29 30 Li 0.89787463709786 0.99443652836468 0.15422172719525 6.941 > 29 31 Li 0.35212536290214 0.00556347163532 0.65422172719525 6.941 > 31 32 Li 0.85212536290214 0.00556347163532 0.65422172719525 6.941 > 31 33 Li 0.35212536290214 0.49443652836468 0.65422172719525 6.941 > 33 34 Li 0.85212536290214 0.49443652836468 0.65422172719525 6.941 > 33 35 Li 0.46877988340461 0.75000000000000 0.27977975775838 6.941 > 35 36 Li 0.96877988340461 0.75000000000000 0.27977975775838 6.941 > 35 37 Li 0.45502222619706 0.75000000000000 0.78882232412859 6.941 > 37 38 Li 0.95502222619706 0.75000000000000 0.78882232412859 6.941 > 37 39 Li 0.46922171628287 0.25000000000000 0.95282788668512 6.941 > 39 40 Li 0.96922171628287 0.25000000000000 0.95282788668512 6.941 > 39 41 Cu 0.00159541112179 0.75000000000000 0.52605729834829 63.546 > 41 42 Cu 0.50159541112179 0.75000000000000 0.52605729834829 63.546 > 41 43 Cu 0.24840458887821 0.25000000000000 0.02605729834829 63.546 > 43 44 Cu 0.74840458887821 0.25000000000000 0.02605729834829 63.546 > 43 45 Cu 0.25159541112179 0.75000000000000 0.97394270165171 63.546 > 45 46 Cu 0.75159541112179 0.75000000000000 0.97394270165171 63.546 > 45 47 Cu 0.49840458887821 0.25000000000000 0.47394270165171 63.546 > 47 48 Cu 0.99840458887821 0.25000000000000 0.47394270165171 63.546 > 47 49 H 0.13677676707520 0.48318906983644 0.10416914414281 1.008 > 49 50 H 0.63677676707520 0.48318906983644 0.10416914414281 1.008 > 49 51 H 0.13677676707520 0.01681093016356 0.10416914414281 1.008 > 51 52 H 0.63677676707520 0.01681093016356 0.10416914414281 1.008 > 51 53 H 0.11322323292480 0.98318906983645 0.60416914414281 1.008 > 53 54 H 0.61322323292480 0.98318906983645 0.60416914414281 1.008 > 53 55 H 0.11322323292480 0.51681093016355 0.60416914414281 1.008 > 55 56 H 0.61322323292480 0.51681093016355 0.60416914414281 1.008 > 55 57 H 0.38677676707520 0.48318906983644 0.39583085585719 1.008 > 57 58 H 0.88677676707520 0.48318906983644 0.39583085585719 1.008 > 57 59 H 0.38677676707520 0.01681093016356 0.39583085585719 1.008 > 59 60 H 0.88677676707520 0.01681093016356 0.39583085585719 1.008 > 59 61 H 0.36322323292480 0.98318906983645 0.89583085585719 1.008 > 61 62 H 0.86322323292480 0.98318906983645 0.89583085585719 1.008 > 61 63 H 0.36322323292480 0.51681093016355 0.89583085585719 1.008 > 63 64 H 0.86322323292480 0.51681093016355 0.89583085585719 1.008 > 63 65 O 0.08507508110208 0.54308268243799 0.16989209988630 15.999 > 65 66 O 0.58507508110208 0.54308268243799 0.16989209988630 15.999 > 65 67 O 0.08507508110208 0.95691731756201 0.16989209988630 15.999 > 67 68 O 0.58507508110208 0.95691731756201 0.16989209988630 15.999 > 67 69 O 0.11361590952893 0.75000000000000 0.40133145729143 15.999 > 69 70 O 0.61361590952893 0.75000000000000 0.40133145729143 15.999 > 69 71 O 0.13503121682074 0.25000000000000 0.37339625198402 15.999 > 71 72 O 0.63503121682074 0.25000000000000 0.37339625198402 15.999 > 71 73 O 0.11496878317926 0.75000000000000 0.87339625198402 15.999 > 73 74 O 0.61496878317926 0.75000000000000 0.87339625198402 15.999 > 73 75 O 0.13638409047107 0.25000000000000 0.90133145729143 15.999 > 75 76 O 0.63638409047107 0.25000000000000 0.90133145729143 15.999 > 75 77 O 0.16492491889792 0.04308268243799 0.66989209988630 15.999 > 77 78 O 0.66492491889792 0.04308268243799 0.66989209988630 15.999 > 77 79 O 0.16492491889792 0.45691731756201 0.66989209988630 15.999 > 79 80 O 0.66492491889792 0.45691731756201 0.66989209988630 15.999 > 79 81 O 0.33507508110208 0.95691731756201 0.33010790011370 15.999 > 81 82 O 0.83507508110208 0.95691731756201 0.33010790011370 15.999 > 81 83 O 0.33507508110208 0.54308268243799 0.33010790011370 15.999 > 83 84 O 0.83507508110208 0.54308268243799 0.33010790011370 15.999 > 83 85 O 0.36361590952893 0.75000000000000 0.09866854270857 15.999 > 85 86 O 0.86361590952893 0.75000000000000 0.09866854270857 15.999 > 85 87 O 0.38503121682074 0.25000000000000 0.12660374801598 15.999 > 87 88 O 0.88503121682074 0.25000000000000 0.12660374801598 15.999 > 87 89 O 0.36496878317926 0.75000000000000 0.62660374801598 15.999 > 89 90 O 0.86496878317926 0.75000000000000 0.62660374801598 15.999 > 89 91 O 0.38638409047107 0.25000000000000 0.59866854270857 15.999 > 91 92 O 0.88638409047107 0.25000000000000 0.59866854270857 15.999 > 91 93 O 0.41492491889792 0.04308268243799 0.83010790011370 15.999 > 93 94 O 0.91492491889792 0.04308268243799 0.83010790011370 15.999 > 93 95 O 0.41492491889792 0.45691731756201 0.83010790011370 15.999 > 95 96 O 0.91492491889792 0.45691731756201 0.83010790011370 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4106846 0.0000000 0.0000000 0.0000000 3.6562955 0.0000000 0.0000000 0.0000000 3.3780748 -------------------------- Born effective charges -------------------------- 1 Li 1.2459041 0.0000000 -0.1249897 0.0000000 0.8853621 0.0000000 -0.0383210 0.0000000 0.8097545 2 Li 1.1233298 0.0000000 0.0197270 0.0000000 0.9666181 0.0000000 0.0215276 0.0000000 1.2082990 3 Li 1.0716061 0.0000000 0.0672962 0.0000000 1.0724949 0.0000000 0.0575763 0.0000000 1.4112048 4 Li 0.9602973 0.0464705 -0.0938540 0.0223966 1.0571069 0.0141248 0.0224247 0.0546788 0.9757457 5 Li 0.9602973 -0.0464705 -0.0938540 -0.0223966 1.0571069 -0.0141248 0.0224247 -0.0546788 0.9757457 6 Li 0.9602973 -0.0464705 0.0938540 -0.0223966 1.0571069 0.0141248 -0.0224247 0.0546788 0.9757457 7 Li 0.9602973 0.0464705 0.0938540 0.0223966 1.0571069 -0.0141248 -0.0224247 -0.0546788 0.9757457 8 Li 1.0716061 0.0000000 -0.0672962 0.0000000 1.0724949 0.0000000 -0.0575763 0.0000000 1.4112048 9 Li 1.1233298 0.0000000 -0.0197270 0.0000000 0.9666181 0.0000000 -0.0215276 0.0000000 1.2082990 10 Li 1.2459041 0.0000000 0.1249897 0.0000000 0.8853621 0.0000000 0.0383210 0.0000000 0.8097545 11 Li 1.2459041 0.0000000 0.1249897 0.0000000 0.8853621 0.0000000 0.0383210 0.0000000 0.8097545 12 Li 1.1233298 0.0000000 -0.0197270 0.0000000 0.9666181 0.0000000 -0.0215276 0.0000000 1.2082990 13 Li 1.0716061 0.0000000 -0.0672962 0.0000000 1.0724949 0.0000000 -0.0575763 0.0000000 1.4112048 14 Li 0.9602973 0.0464705 0.0938540 0.0223966 1.0571069 -0.0141248 -0.0224247 -0.0546788 0.9757457 15 Li 0.9602973 -0.0464705 0.0938540 -0.0223966 1.0571069 0.0141248 -0.0224247 0.0546788 0.9757457 16 Li 0.9602973 -0.0464705 -0.0938540 -0.0223966 1.0571069 -0.0141248 0.0224247 -0.0546788 0.9757457 17 Li 0.9602973 0.0464705 -0.0938540 0.0223966 1.0571069 0.0141248 0.0224247 0.0546788 0.9757457 18 Li 1.0716061 0.0000000 0.0672962 0.0000000 1.0724949 0.0000000 0.0575763 0.0000000 1.4112048 19 Li 1.1233298 0.0000000 0.0197270 0.0000000 0.9666181 0.0000000 0.0215276 0.0000000 1.2082990 20 Li 1.2459041 0.0000000 -0.1249897 0.0000000 0.8853621 0.0000000 -0.0383210 0.0000000 0.8097545 21 Cu 0.7403237 0.0000000 -0.7302622 0.0000000 -0.3497487 0.0000000 -0.7596259 0.0000000 0.5494399 22 Cu 0.7403237 0.0000000 0.7302622 0.0000000 -0.3497487 0.0000000 0.7596259 0.0000000 0.5494399 23 Cu 0.7403237 0.0000000 0.7302622 0.0000000 -0.3497487 0.0000000 0.7596259 0.0000000 0.5494399 24 Cu 0.7403237 0.0000000 -0.7302622 0.0000000 -0.3497487 0.0000000 -0.7596259 0.0000000 0.5494399 25 H 0.3981216 -0.0439003 -0.0321613 -0.1330850 0.6649034 0.0608767 -0.0401459 0.0308187 0.2915163 26 H 0.3981216 0.0439003 -0.0321613 0.1330850 0.6649034 -0.0608767 -0.0401459 -0.0308187 0.2915163 27 H 0.3981216 0.0439003 0.0321613 0.1330850 0.6649034 0.0608767 0.0401459 0.0308187 0.2915163 28 H 0.3981216 -0.0439003 0.0321613 -0.1330850 0.6649034 -0.0608767 0.0401459 -0.0308187 0.2915163 29 H 0.3981216 -0.0439003 0.0321613 -0.1330850 0.6649034 -0.0608767 0.0401459 -0.0308187 0.2915163 30 H 0.3981216 0.0439003 0.0321613 0.1330850 0.6649034 0.0608767 0.0401459 0.0308187 0.2915163 31 H 0.3981216 0.0439003 -0.0321613 0.1330850 0.6649034 -0.0608767 -0.0401459 -0.0308187 0.2915163 32 H 0.3981216 -0.0439003 -0.0321613 -0.1330850 0.6649034 0.0608767 -0.0401459 0.0308187 0.2915163 33 O -1.6071943 -0.0148009 0.1701081 0.0864519 -1.7361295 0.0054383 0.0656254 0.0073247 -1.5563823 34 O -1.6071943 0.0148009 0.1701081 -0.0864519 -1.7361295 -0.0054383 0.0656254 -0.0073247 -1.5563823 35 O -1.7072016 0.0000000 0.5113331 0.0000000 -1.3469867 0.0000000 0.4762241 0.0000000 -1.7965406 36 O -1.9764114 0.0000000 0.5170170 0.0000000 -1.1995012 0.0000000 0.4386565 0.0000000 -1.6039172 37 O -1.9764114 0.0000000 -0.5170170 0.0000000 -1.1995012 0.0000000 -0.4386565 0.0000000 -1.6039172 38 O -1.7072016 0.0000000 -0.5113331 0.0000000 -1.3469867 0.0000000 -0.4762241 0.0000000 -1.7965406 39 O -1.6071943 0.0148009 -0.1701081 -0.0864519 -1.7361295 0.0054383 -0.0656254 0.0073247 -1.5563823 40 O -1.6071943 -0.0148009 -0.1701081 0.0864519 -1.7361295 -0.0054383 -0.0656254 -0.0073247 -1.5563823 41 O -1.6071943 0.0148009 -0.1701081 -0.0864519 -1.7361295 0.0054383 -0.0656254 0.0073247 -1.5563823 42 O -1.6071943 -0.0148009 -0.1701081 0.0864519 -1.7361295 -0.0054383 -0.0656254 -0.0073247 -1.5563823 43 O -1.7072016 0.0000000 -0.5113331 0.0000000 -1.3469867 0.0000000 -0.4762241 0.0000000 -1.7965406 44 O -1.9764114 0.0000000 -0.5170170 0.0000000 -1.1995012 0.0000000 -0.4386565 0.0000000 -1.6039172 45 O -1.9764114 0.0000000 0.5170170 0.0000000 -1.1995012 0.0000000 0.4386565 0.0000000 -1.6039172 46 O -1.7072016 0.0000000 0.5113331 0.0000000 -1.3469867 0.0000000 0.4762241 0.0000000 -1.7965406 47 O -1.6071943 0.0148009 0.1701081 -0.0864519 -1.7361295 -0.0054383 0.0656254 -0.0073247 -1.5563823 48 O -1.6071943 -0.0148009 0.1701081 0.0864519 -1.7361295 0.0054383 0.0656254 0.0073247 -1.5563823 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, 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[ 7, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 69, 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[ 71, 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: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 01:40:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:40:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.352808390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): 1 Li 0.06155656743426 0.75000000000000 0.04717211331488 6.941 2 Li 0.08995554760588 0.25000000000000 0.21117767587141 6.941 3 Li 0.06244023319079 0.25000000000000 0.72022024224162 6.941 4 Li 0.29574927419572 0.50556347163532 0.34577827280475 6.941 5 Li 0.29574927419572 0.99443652836468 0.34577827280475 6.941 6 Li 0.20425072580428 0.00556347163532 0.84577827280475 6.941 7 Li 0.20425072580428 0.49443652836468 0.84577827280475 6.941 8 Li 0.43755976680921 0.75000000000000 0.22022024224162 6.941 9 Li 0.41004445239412 0.75000000000000 0.71117767587141 6.941 10 Li 0.43844343256574 0.25000000000000 0.54717211331488 6.941 11 Li 0.56155656743426 0.75000000000000 0.45282788668512 6.941 12 Li 0.58995554760588 0.25000000000000 0.28882232412859 6.941 13 Li 0.56244023319079 0.25000000000000 0.77977975775838 6.941 14 Li 0.79574927419572 0.50556347163532 0.15422172719525 6.941 15 Li 0.79574927419572 0.99443652836468 0.15422172719525 6.941 16 Li 0.70425072580428 0.00556347163532 0.65422172719525 6.941 17 Li 0.70425072580428 0.49443652836468 0.65422172719525 6.941 18 Li 0.93755976680921 0.75000000000000 0.27977975775838 6.941 19 Li 0.91004445239412 0.75000000000000 0.78882232412859 6.941 20 Li 0.93844343256574 0.25000000000000 0.95282788668512 6.941 21 Cu 0.00319082224357 0.75000000000000 0.52605729834829 63.546 22 Cu 0.49680917775643 0.25000000000000 0.02605729834829 63.546 23 Cu 0.50319082224357 0.75000000000000 0.97394270165171 63.546 24 Cu 0.99680917775643 0.25000000000000 0.47394270165171 63.546 25 H 0.27355353415040 0.48318906983644 0.10416914414281 1.008 26 H 0.27355353415040 0.01681093016356 0.10416914414281 1.008 27 H 0.22644646584960 0.98318906983645 0.60416914414281 1.008 28 H 0.22644646584960 0.51681093016355 0.60416914414281 1.008 29 H 0.77355353415040 0.48318906983644 0.39583085585719 1.008 30 H 0.77355353415040 0.01681093016356 0.39583085585719 1.008 31 H 0.72644646584960 0.98318906983645 0.89583085585719 1.008 32 H 0.72644646584960 0.51681093016355 0.89583085585719 1.008 33 O 0.17015016220416 0.54308268243799 0.16989209988630 15.999 34 O 0.17015016220416 0.95691731756201 0.16989209988630 15.999 35 O 0.22723181905787 0.75000000000000 0.40133145729143 15.999 36 O 0.27006243364147 0.25000000000000 0.37339625198402 15.999 37 O 0.22993756635853 0.75000000000000 0.87339625198402 15.999 38 O 0.27276818094213 0.25000000000000 0.90133145729143 15.999 39 O 0.32984983779584 0.04308268243799 0.66989209988630 15.999 40 O 0.32984983779584 0.45691731756201 0.66989209988630 15.999 41 O 0.67015016220416 0.95691731756201 0.33010790011370 15.999 42 O 0.67015016220416 0.54308268243799 0.33010790011370 15.999 43 O 0.72723181905787 0.75000000000000 0.09866854270857 15.999 44 O 0.77006243364147 0.25000000000000 0.12660374801598 15.999 45 O 0.72993756635853 0.75000000000000 0.62660374801598 15.999 46 O 0.77276818094213 0.25000000000000 0.59866854270857 15.999 47 O 0.82984983779584 0.04308268243799 0.83010790011370 15.999 48 O 0.82984983779584 0.45691731756201 0.83010790011370 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.705616780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.348913100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.516382430000000 Atomic positions (fractional): 1 Li 0.03077828371713 0.75000000000000 0.04717211331488 6.941 > 1 2 Li 0.53077828371713 0.75000000000000 0.04717211331488 6.941 > 1 3 Li 0.04497777380294 0.25000000000000 0.21117767587141 6.941 > 3 4 Li 0.54497777380294 0.25000000000000 0.21117767587141 6.941 > 3 5 Li 0.03122011659539 0.25000000000000 0.72022024224162 6.941 > 5 6 Li 0.53122011659540 0.25000000000000 0.72022024224162 6.941 > 5 7 Li 0.14787463709786 0.50556347163532 0.34577827280475 6.941 > 7 8 Li 0.64787463709786 0.50556347163532 0.34577827280475 6.941 > 7 9 Li 0.14787463709786 0.99443652836468 0.34577827280475 6.941 > 9 10 Li 0.64787463709786 0.99443652836468 0.34577827280475 6.941 > 9 11 Li 0.10212536290214 0.00556347163532 0.84577827280475 6.941 > 11 12 Li 0.60212536290214 0.00556347163532 0.84577827280475 6.941 > 11 13 Li 0.10212536290214 0.49443652836468 0.84577827280475 6.941 > 13 14 Li 0.60212536290214 0.49443652836468 0.84577827280475 6.941 > 13 15 Li 0.21877988340460 0.75000000000000 0.22022024224162 6.941 > 15 16 Li 0.71877988340460 0.75000000000000 0.22022024224162 6.941 > 15 17 Li 0.20502222619706 0.75000000000000 0.71117767587141 6.941 > 17 18 Li 0.70502222619706 0.75000000000000 0.71117767587141 6.941 > 17 19 Li 0.21922171628287 0.25000000000000 0.54717211331488 6.941 > 19 20 Li 0.71922171628287 0.25000000000000 0.54717211331488 6.941 > 19 21 Li 0.28077828371713 0.75000000000000 0.45282788668512 6.941 > 21 22 Li 0.78077828371713 0.75000000000000 0.45282788668512 6.941 > 21 23 Li 0.29497777380294 0.25000000000000 0.28882232412859 6.941 > 23 24 Li 0.79497777380294 0.25000000000000 0.28882232412859 6.941 > 23 25 Li 0.28122011659539 0.25000000000000 0.77977975775838 6.941 > 25 26 Li 0.78122011659539 0.25000000000000 0.77977975775838 6.941 > 25 27 Li 0.39787463709786 0.50556347163532 0.15422172719525 6.941 > 27 28 Li 0.89787463709786 0.50556347163532 0.15422172719525 6.941 > 27 29 Li 0.39787463709786 0.99443652836468 0.15422172719525 6.941 > 29 30 Li 0.89787463709786 0.99443652836468 0.15422172719525 6.941 > 29 31 Li 0.35212536290214 0.00556347163532 0.65422172719525 6.941 > 31 32 Li 0.85212536290214 0.00556347163532 0.65422172719525 6.941 > 31 33 Li 0.35212536290214 0.49443652836468 0.65422172719525 6.941 > 33 34 Li 0.85212536290214 0.49443652836468 0.65422172719525 6.941 > 33 35 Li 0.46877988340461 0.75000000000000 0.27977975775838 6.941 > 35 36 Li 0.96877988340461 0.75000000000000 0.27977975775838 6.941 > 35 37 Li 0.45502222619706 0.75000000000000 0.78882232412859 6.941 > 37 38 Li 0.95502222619706 0.75000000000000 0.78882232412859 6.941 > 37 39 Li 0.46922171628287 0.25000000000000 0.95282788668512 6.941 > 39 40 Li 0.96922171628287 0.25000000000000 0.95282788668512 6.941 > 39 41 Cu 0.00159541112179 0.75000000000000 0.52605729834829 63.546 > 41 42 Cu 0.50159541112179 0.75000000000000 0.52605729834829 63.546 > 41 43 Cu 0.24840458887821 0.25000000000000 0.02605729834829 63.546 > 43 44 Cu 0.74840458887821 0.25000000000000 0.02605729834829 63.546 > 43 45 Cu 0.25159541112179 0.75000000000000 0.97394270165171 63.546 > 45 46 Cu 0.75159541112179 0.75000000000000 0.97394270165171 63.546 > 45 47 Cu 0.49840458887821 0.25000000000000 0.47394270165171 63.546 > 47 48 Cu 0.99840458887821 0.25000000000000 0.47394270165171 63.546 > 47 49 H 0.13677676707520 0.48318906983644 0.10416914414281 1.008 > 49 50 H 0.63677676707520 0.48318906983644 0.10416914414281 1.008 > 49 51 H 0.13677676707520 0.01681093016356 0.10416914414281 1.008 > 51 52 H 0.63677676707520 0.01681093016356 0.10416914414281 1.008 > 51 53 H 0.11322323292480 0.98318906983645 0.60416914414281 1.008 > 53 54 H 0.61322323292480 0.98318906983645 0.60416914414281 1.008 > 53 55 H 0.11322323292480 0.51681093016355 0.60416914414281 1.008 > 55 56 H 0.61322323292480 0.51681093016355 0.60416914414281 1.008 > 55 57 H 0.38677676707520 0.48318906983644 0.39583085585719 1.008 > 57 58 H 0.88677676707520 0.48318906983644 0.39583085585719 1.008 > 57 59 H 0.38677676707520 0.01681093016356 0.39583085585719 1.008 > 59 60 H 0.88677676707520 0.01681093016356 0.39583085585719 1.008 > 59 61 H 0.36322323292480 0.98318906983645 0.89583085585719 1.008 > 61 62 H 0.86322323292480 0.98318906983645 0.89583085585719 1.008 > 61 63 H 0.36322323292480 0.51681093016355 0.89583085585719 1.008 > 63 64 H 0.86322323292480 0.51681093016355 0.89583085585719 1.008 > 63 65 O 0.08507508110208 0.54308268243799 0.16989209988630 15.999 > 65 66 O 0.58507508110208 0.54308268243799 0.16989209988630 15.999 > 65 67 O 0.08507508110208 0.95691731756201 0.16989209988630 15.999 > 67 68 O 0.58507508110208 0.95691731756201 0.16989209988630 15.999 > 67 69 O 0.11361590952893 0.75000000000000 0.40133145729143 15.999 > 69 70 O 0.61361590952893 0.75000000000000 0.40133145729143 15.999 > 69 71 O 0.13503121682074 0.25000000000000 0.37339625198402 15.999 > 71 72 O 0.63503121682074 0.25000000000000 0.37339625198402 15.999 > 71 73 O 0.11496878317926 0.75000000000000 0.87339625198402 15.999 > 73 74 O 0.61496878317926 0.75000000000000 0.87339625198402 15.999 > 73 75 O 0.13638409047107 0.25000000000000 0.90133145729143 15.999 > 75 76 O 0.63638409047107 0.25000000000000 0.90133145729143 15.999 > 75 77 O 0.16492491889792 0.04308268243799 0.66989209988630 15.999 > 77 78 O 0.66492491889792 0.04308268243799 0.66989209988630 15.999 > 77 79 O 0.16492491889792 0.45691731756201 0.66989209988630 15.999 > 79 80 O 0.66492491889792 0.45691731756201 0.66989209988630 15.999 > 79 81 O 0.33507508110208 0.95691731756201 0.33010790011370 15.999 > 81 82 O 0.83507508110208 0.95691731756201 0.33010790011370 15.999 > 81 83 O 0.33507508110208 0.54308268243799 0.33010790011370 15.999 > 83 84 O 0.83507508110208 0.54308268243799 0.33010790011370 15.999 > 83 85 O 0.36361590952893 0.75000000000000 0.09866854270857 15.999 > 85 86 O 0.86361590952893 0.75000000000000 0.09866854270857 15.999 > 85 87 O 0.38503121682074 0.25000000000000 0.12660374801598 15.999 > 87 88 O 0.88503121682074 0.25000000000000 0.12660374801598 15.999 > 87 89 O 0.36496878317926 0.75000000000000 0.62660374801598 15.999 > 89 90 O 0.86496878317926 0.75000000000000 0.62660374801598 15.999 > 89 91 O 0.38638409047107 0.25000000000000 0.59866854270857 15.999 > 91 92 O 0.88638409047107 0.25000000000000 0.59866854270857 15.999 > 91 93 O 0.41492491889792 0.04308268243799 0.83010790011370 15.999 > 93 94 O 0.91492491889792 0.04308268243799 0.83010790011370 15.999 > 93 95 O 0.41492491889792 0.45691731756201 0.83010790011370 15.999 > 95 96 O 0.91492491889792 0.45691731756201 0.83010790011370 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4106846 0.0000000 0.0000000 0.0000000 3.6562955 0.0000000 0.0000000 0.0000000 3.3780748 -------------------------- Born effective charges -------------------------- 1 Li 1.2459041 0.0000000 -0.1249897 0.0000000 0.8853621 0.0000000 -0.0383210 0.0000000 0.8097545 2 Li 1.1233298 0.0000000 0.0197270 0.0000000 0.9666181 0.0000000 0.0215276 0.0000000 1.2082990 3 Li 1.0716061 0.0000000 0.0672962 0.0000000 1.0724949 0.0000000 0.0575763 0.0000000 1.4112048 4 Li 0.9602973 0.0464705 -0.0938540 0.0223966 1.0571069 0.0141248 0.0224247 0.0546788 0.9757457 5 Li 0.9602973 -0.0464705 -0.0938540 -0.0223966 1.0571069 -0.0141248 0.0224247 -0.0546788 0.9757457 6 Li 0.9602973 -0.0464705 0.0938540 -0.0223966 1.0571069 0.0141248 -0.0224247 0.0546788 0.9757457 7 Li 0.9602973 0.0464705 0.0938540 0.0223966 1.0571069 -0.0141248 -0.0224247 -0.0546788 0.9757457 8 Li 1.0716061 0.0000000 -0.0672962 0.0000000 1.0724949 0.0000000 -0.0575763 0.0000000 1.4112048 9 Li 1.1233298 0.0000000 -0.0197270 0.0000000 0.9666181 0.0000000 -0.0215276 0.0000000 1.2082990 10 Li 1.2459041 0.0000000 0.1249897 0.0000000 0.8853621 0.0000000 0.0383210 0.0000000 0.8097545 11 Li 1.2459041 0.0000000 0.1249897 0.0000000 0.8853621 0.0000000 0.0383210 0.0000000 0.8097545 12 Li 1.1233298 0.0000000 -0.0197270 0.0000000 0.9666181 0.0000000 -0.0215276 0.0000000 1.2082990 13 Li 1.0716061 0.0000000 -0.0672962 0.0000000 1.0724949 0.0000000 -0.0575763 0.0000000 1.4112048 14 Li 0.9602973 0.0464705 0.0938540 0.0223966 1.0571069 -0.0141248 -0.0224247 -0.0546788 0.9757457 15 Li 0.9602973 -0.0464705 0.0938540 -0.0223966 1.0571069 0.0141248 -0.0224247 0.0546788 0.9757457 16 Li 0.9602973 -0.0464705 -0.0938540 -0.0223966 1.0571069 -0.0141248 0.0224247 -0.0546788 0.9757457 17 Li 0.9602973 0.0464705 -0.0938540 0.0223966 1.0571069 0.0141248 0.0224247 0.0546788 0.9757457 18 Li 1.0716061 0.0000000 0.0672962 0.0000000 1.0724949 0.0000000 0.0575763 0.0000000 1.4112048 19 Li 1.1233298 0.0000000 0.0197270 0.0000000 0.9666181 0.0000000 0.0215276 0.0000000 1.2082990 20 Li 1.2459041 0.0000000 -0.1249897 0.0000000 0.8853621 0.0000000 -0.0383210 0.0000000 0.8097545 21 Cu 0.7403237 0.0000000 -0.7302622 0.0000000 -0.3497487 0.0000000 -0.7596259 0.0000000 0.5494399 22 Cu 0.7403237 0.0000000 0.7302622 0.0000000 -0.3497487 0.0000000 0.7596259 0.0000000 0.5494399 23 Cu 0.7403237 0.0000000 0.7302622 0.0000000 -0.3497487 0.0000000 0.7596259 0.0000000 0.5494399 24 Cu 0.7403237 0.0000000 -0.7302622 0.0000000 -0.3497487 0.0000000 -0.7596259 0.0000000 0.5494399 25 H 0.3981216 -0.0439003 -0.0321613 -0.1330850 0.6649034 0.0608767 -0.0401459 0.0308187 0.2915163 26 H 0.3981216 0.0439003 -0.0321613 0.1330850 0.6649034 -0.0608767 -0.0401459 -0.0308187 0.2915163 27 H 0.3981216 0.0439003 0.0321613 0.1330850 0.6649034 0.0608767 0.0401459 0.0308187 0.2915163 28 H 0.3981216 -0.0439003 0.0321613 -0.1330850 0.6649034 -0.0608767 0.0401459 -0.0308187 0.2915163 29 H 0.3981216 -0.0439003 0.0321613 -0.1330850 0.6649034 -0.0608767 0.0401459 -0.0308187 0.2915163 30 H 0.3981216 0.0439003 0.0321613 0.1330850 0.6649034 0.0608767 0.0401459 0.0308187 0.2915163 31 H 0.3981216 0.0439003 -0.0321613 0.1330850 0.6649034 -0.0608767 -0.0401459 -0.0308187 0.2915163 32 H 0.3981216 -0.0439003 -0.0321613 -0.1330850 0.6649034 0.0608767 -0.0401459 0.0308187 0.2915163 33 O -1.6071943 -0.0148009 0.1701081 0.0864519 -1.7361295 0.0054383 0.0656254 0.0073247 -1.5563823 34 O -1.6071943 0.0148009 0.1701081 -0.0864519 -1.7361295 -0.0054383 0.0656254 -0.0073247 -1.5563823 35 O -1.7072016 0.0000000 0.5113331 0.0000000 -1.3469867 0.0000000 0.4762241 0.0000000 -1.7965406 36 O -1.9764114 0.0000000 0.5170170 0.0000000 -1.1995012 0.0000000 0.4386565 0.0000000 -1.6039172 37 O -1.9764114 0.0000000 -0.5170170 0.0000000 -1.1995012 0.0000000 -0.4386565 0.0000000 -1.6039172 38 O -1.7072016 0.0000000 -0.5113331 0.0000000 -1.3469867 0.0000000 -0.4762241 0.0000000 -1.7965406 39 O -1.6071943 0.0148009 -0.1701081 -0.0864519 -1.7361295 0.0054383 -0.0656254 0.0073247 -1.5563823 40 O -1.6071943 -0.0148009 -0.1701081 0.0864519 -1.7361295 -0.0054383 -0.0656254 -0.0073247 -1.5563823 41 O -1.6071943 0.0148009 -0.1701081 -0.0864519 -1.7361295 0.0054383 -0.0656254 0.0073247 -1.5563823 42 O -1.6071943 -0.0148009 -0.1701081 0.0864519 -1.7361295 -0.0054383 -0.0656254 -0.0073247 -1.5563823 43 O -1.7072016 0.0000000 -0.5113331 0.0000000 -1.3469867 0.0000000 -0.4762241 0.0000000 -1.7965406 44 O -1.9764114 0.0000000 -0.5170170 0.0000000 -1.1995012 0.0000000 -0.4386565 0.0000000 -1.6039172 45 O -1.9764114 0.0000000 0.5170170 0.0000000 -1.1995012 0.0000000 0.4386565 0.0000000 -1.6039172 46 O -1.7072016 0.0000000 0.5113331 0.0000000 -1.3469867 0.0000000 0.4762241 0.0000000 -1.7965406 47 O -1.6071943 0.0148009 0.1701081 -0.0864519 -1.7361295 -0.0054383 0.0656254 -0.0073247 -1.5563823 48 O -1.6071943 -0.0148009 0.1701081 0.0864519 -1.7361295 0.0054383 0.0656254 0.0073247 -1.5563823 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- 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 ... [ 9 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 9.739 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.917 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.153 ( 0.000 0.000 0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.432 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 13.426 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 14.537 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 14.927 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.888 ( 0.000 0.000 0.000) 0.000 16.082 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.636 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 17.659 ( 0.000 0.000 0.000) 0.000 18.167 ( 0.000 0.000 0.000) 0.000 18.232 ( 0.000 0.000 0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 18.289 ( 0.000 0.000 0.000) 0.000 18.296 ( 0.000 0.000 0.000) 0.000 18.296 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.053 ( 0.000 0.000 0.000) 0.000 19.063 ( 0.000 0.000 0.000) 0.000 19.113 ( 0.000 0.000 0.000) 0.000 19.391 ( 0.000 0.000 0.000) 0.000 19.401 ( 0.000 0.000 0.000) 0.000 19.622 ( 0.000 0.000 0.000) 0.000 19.702 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 20.003 ( 0.000 0.000 0.000) 0.000 20.108 ( 0.000 0.000 0.000) 0.000 20.122 ( 0.000 0.000 0.000) 0.000 20.203 ( 0.000 0.000 0.000) 0.000 20.469 ( 0.000 0.000 0.000) 0.000 20.553 ( 0.000 0.000 0.000) 0.000 20.565 ( 0.000 0.000 0.000) 0.000 20.885 ( 0.000 0.000 0.000) 0.000 20.946 ( 0.000 0.000 0.000) 0.000 20.977 ( 0.000 0.000 0.000) 0.000 21.008 ( 0.000 0.000 0.000) 0.000 21.028 ( 0.000 0.000 0.000) 0.000 21.499 ( 0.000 0.000 0.000) 0.000 23.277 ( 0.000 0.000 0.000) 0.000 23.551 ( 0.000 0.000 0.000) 0.000 102.753 ( 0.000 0.000 0.000) 0.000 102.863 ( 0.000 0.000 0.000) 0.000 102.864 ( 0.000 0.000 0.000) 0.000 102.957 ( 0.000 0.000 0.000) 0.000 103.089 ( 0.000 0.000 0.000) 0.000 103.102 ( 0.000 0.000 0.000) 0.000 103.125 ( 0.000 0.000 0.000) 0.000 103.227 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 34.204 0.000 0.000) 34.204 0.743 ( 35.865 0.000 0.000) 35.865 1.232 ( 56.887 0.000 0.000) 56.887 2.216 ( 8.379 0.000 0.000) 8.379 2.533 ( -6.711 0.000 0.000) 6.711 2.788 ( 11.956 0.000 0.000) 11.956 2.893 ( 6.611 0.000 0.000) 6.611 2.898 ( -2.060 0.000 0.000) 2.060 3.137 ( -0.815 0.000 0.000) 0.815 3.267 ( -5.612 0.000 0.000) 5.612 3.394 ( -3.789 0.000 0.000) 3.789 3.434 ( 3.289 0.000 0.000) 3.289 3.507 ( 4.002 0.000 0.000) 4.002 3.719 ( 13.285 0.000 0.000) 13.285 4.071 ( -4.706 0.000 0.000) 4.706 4.121 ( 3.796 0.000 0.000) 3.796 4.287 ( -3.343 0.000 0.000) 3.343 4.398 ( -6.050 0.000 0.000) 6.050 4.541 ( 2.473 0.000 0.000) 2.473 4.647 ( 3.731 0.000 0.000) 3.731 4.837 ( 2.241 0.000 0.000) 2.241 4.962 ( 2.175 0.000 0.000) 2.175 5.137 ( 17.199 0.000 0.000) 17.199 5.169 ( 4.333 0.000 0.000) 4.333 5.630 ( 3.891 0.000 0.000) 3.891 5.693 ( -3.420 0.000 0.000) 3.420 5.702 ( -6.865 0.000 0.000) 6.865 5.839 ( 2.671 0.000 0.000) 2.671 5.927 ( 6.086 0.000 0.000) 6.086 5.955 ( -2.856 0.000 0.000) 2.856 6.261 ( -3.703 0.000 0.000) 3.703 6.310 ( 4.382 0.000 0.000) 4.382 6.705 ( -18.593 0.000 0.000) 18.593 6.779 ( 1.408 0.000 0.000) 1.408 6.859 ( -3.687 0.000 0.000) 3.687 6.979 ( -0.630 0.000 0.000) 0.630 7.051 ( -4.631 0.000 0.000) 4.631 7.216 ( -12.156 0.000 0.000) 12.156 7.274 ( -1.896 0.000 0.000) 1.896 7.785 ( 10.644 0.000 0.000) 10.644 7.807 ( -4.746 0.000 0.000) 4.746 7.898 ( 1.507 0.000 0.000) 1.507 8.010 ( 3.136 0.000 0.000) 3.136 8.095 ( 7.698 0.000 0.000) 7.698 8.142 ( -4.584 0.000 0.000) 4.584 8.264 ( -3.619 0.000 0.000) 3.619 8.482 ( -4.765 0.000 0.000) 4.765 8.723 ( 3.758 0.000 0.000) 3.758 8.745 ( 3.070 0.000 0.000) 3.070 8.765 ( -13.823 0.000 0.000) 13.823 8.884 ( -2.143 0.000 0.000) 2.143 8.932 ( -11.884 0.000 0.000) 11.884 9.166 ( -2.896 0.000 0.000) 2.896 9.283 ( -10.862 0.000 0.000) 10.862 9.344 ( -9.580 0.000 0.000) 9.580 9.453 ( -14.543 0.000 0.000) 14.543 9.484 ( -1.269 0.000 0.000) 1.269 9.525 ( -10.176 0.000 0.000) 10.176 9.674 ( -5.731 0.000 0.000) 5.731 9.969 ( 2.923 0.000 0.000) 2.923 10.009 ( -3.473 0.000 0.000) 3.473 10.090 ( -1.304 0.000 0.000) 1.304 10.188 ( 5.452 0.000 0.000) 5.452 10.309 ( 2.312 0.000 0.000) 2.312 10.320 ( 9.526 0.000 0.000) 9.526 10.371 ( 9.750 0.000 0.000) 9.750 10.372 ( 6.771 0.000 0.000) 6.771 10.539 ( -1.952 0.000 0.000) 1.952 10.540 ( -2.512 0.000 0.000) 2.512 10.767 ( -0.898 0.000 0.000) 0.898 10.996 ( 3.043 0.000 0.000) 3.043 11.054 ( 1.696 0.000 0.000) 1.696 11.102 ( -3.759 0.000 0.000) 3.759 11.175 ( 10.895 0.000 0.000) 10.895 11.371 ( -0.205 0.000 0.000) 0.205 11.453 ( -5.329 0.000 0.000) 5.329 11.475 ( -1.584 0.000 0.000) 1.584 11.626 ( 16.541 0.000 0.000) 16.541 11.672 ( 0.841 0.000 0.000) 0.841 11.791 ( 4.590 0.000 0.000) 4.590 11.905 ( -0.588 0.000 0.000) 0.588 11.950 ( 9.196 0.000 0.000) 9.196 12.020 ( 12.188 0.000 0.000) 12.188 12.329 ( -1.856 0.000 0.000) 1.856 12.705 ( -8.213 0.000 0.000) 8.213 12.763 ( -4.394 0.000 0.000) 4.394 12.779 ( -2.240 0.000 0.000) 2.240 13.340 ( 0.613 0.000 0.000) 0.613 13.552 ( -8.043 0.000 0.000) 8.043 13.558 ( -2.435 0.000 0.000) 2.435 13.631 ( 18.168 0.000 0.000) 18.168 14.079 ( 5.024 0.000 0.000) 5.024 14.399 ( 3.949 0.000 0.000) 3.949 14.467 ( -5.795 0.000 0.000) 5.795 14.480 ( 20.839 0.000 0.000) 20.839 14.678 ( -5.980 0.000 0.000) 5.980 14.977 ( 3.293 0.000 0.000) 3.293 15.363 ( -1.721 0.000 0.000) 1.721 15.960 ( 6.522 0.000 0.000) 6.522 16.081 ( -0.091 0.000 0.000) 0.091 16.171 ( -21.926 0.000 0.000) 21.926 16.524 ( -3.330 0.000 0.000) 3.330 16.873 ( 9.428 0.000 0.000) 9.428 17.418 ( -3.119 0.000 0.000) 3.119 17.610 ( -4.469 0.000 0.000) 4.469 18.170 ( 0.292 0.000 0.000) 0.292 18.195 ( -3.227 0.000 0.000) 3.227 18.259 ( -1.859 0.000 0.000) 1.859 18.260 ( -1.249 0.000 0.000) 1.249 18.297 ( 0.069 0.000 0.000) 0.069 18.312 ( 0.580 0.000 0.000) 0.580 18.771 ( -9.190 0.000 0.000) 9.190 18.982 ( -5.769 0.000 0.000) 5.769 19.013 ( -4.422 0.000 0.000) 4.422 19.039 ( -2.398 0.000 0.000) 2.398 19.096 ( -1.754 0.000 0.000) 1.754 19.375 ( -2.718 0.000 0.000) 2.718 19.503 ( 8.692 0.000 0.000) 8.692 19.622 ( -6.287 0.000 0.000) 6.287 19.755 ( 7.910 0.000 0.000) 7.910 19.883 ( -1.223 0.000 0.000) 1.223 20.059 ( -4.241 0.000 0.000) 4.241 20.140 ( 9.955 0.000 0.000) 9.955 20.191 ( -1.241 0.000 0.000) 1.241 20.203 ( 6.598 0.000 0.000) 6.598 20.508 ( 2.807 0.000 0.000) 2.807 20.512 ( -2.335 0.000 0.000) 2.335 20.620 ( 4.730 0.000 0.000) 4.730 20.904 ( 2.855 0.000 0.000) 2.855 20.941 ( -0.525 0.000 0.000) 0.525 20.966 ( -3.997 0.000 0.000) 3.997 20.990 ( -4.133 0.000 0.000) 4.133 21.545 ( 4.020 0.000 0.000) 4.020 22.952 ( -2.914 0.000 0.000) 2.914 23.334 ( 5.145 0.000 0.000) 5.145 23.752 ( -3.717 0.000 0.000) 3.717 102.761 ( 0.709 0.000 0.000) 0.709 102.861 ( -0.163 0.000 0.000) 0.163 102.861 ( -0.203 0.000 0.000) 0.203 102.953 ( -0.402 0.000 0.000) 0.402 103.098 ( 0.810 0.000 0.000) 0.810 103.102 ( 0.131 0.000 0.000) 0.131 103.133 ( 0.699 0.000 0.000) 0.699 103.335 ( -1.298 0.000 0.000) 1.298 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 31.479 0.000 0.000) 31.479 1.485 ( 35.349 0.000 0.000) 35.349 2.292 ( 42.736 0.000 0.000) 42.736 2.413 ( 9.080 0.000 0.000) 9.080 2.414 ( -4.124 0.000 0.000) 4.124 2.861 ( -4.112 0.000 0.000) 4.112 2.868 ( -0.498 0.000 0.000) 0.498 3.035 ( 6.523 0.000 0.000) 6.523 3.149 ( 2.488 0.000 0.000) 2.488 3.318 ( -2.448 0.000 0.000) 2.448 3.393 ( 16.073 0.000 0.000) 16.073 3.487 ( 1.502 0.000 0.000) 1.502 3.615 ( 6.072 0.000 0.000) 6.072 3.873 ( -2.690 0.000 0.000) 2.690 4.138 ( 15.803 0.000 0.000) 15.803 4.167 ( -8.094 0.000 0.000) 8.094 4.180 ( 1.243 0.000 0.000) 1.243 4.232 ( -9.170 0.000 0.000) 9.170 4.719 ( 13.277 0.000 0.000) 13.277 4.786 ( 9.597 0.000 0.000) 9.597 4.875 ( -0.024 0.000 0.000) 0.024 5.038 ( 4.530 0.000 0.000) 4.530 5.262 ( 3.220 0.000 0.000) 3.220 5.471 ( 14.039 0.000 0.000) 14.039 5.504 ( -11.381 0.000 0.000) 11.381 5.623 ( -3.178 0.000 0.000) 3.178 5.724 ( 5.115 0.000 0.000) 5.115 5.895 ( -1.824 0.000 0.000) 1.824 5.901 ( 1.075 0.000 0.000) 1.075 6.036 ( 3.492 0.000 0.000) 3.492 6.191 ( -2.209 0.000 0.000) 2.209 6.363 ( -9.654 0.000 0.000) 9.654 6.455 ( 9.477 0.000 0.000) 9.477 6.746 ( -7.301 0.000 0.000) 7.301 6.841 ( 5.326 0.000 0.000) 5.326 6.909 ( -7.408 0.000 0.000) 7.408 6.962 ( -0.980 0.000 0.000) 0.980 6.964 ( -11.641 0.000 0.000) 11.641 7.244 ( -0.533 0.000 0.000) 0.533 7.682 ( -7.779 0.000 0.000) 7.779 7.904 ( -2.779 0.000 0.000) 2.779 7.918 ( -0.043 0.000 0.000) 0.043 7.999 ( -3.955 0.000 0.000) 3.955 8.113 ( 4.226 0.000 0.000) 4.226 8.157 ( -5.884 0.000 0.000) 5.884 8.286 ( 9.344 0.000 0.000) 9.344 8.396 ( -20.587 0.000 0.000) 20.587 8.401 ( -2.639 0.000 0.000) 2.639 8.623 ( -17.140 0.000 0.000) 17.140 8.643 ( -11.697 0.000 0.000) 11.697 8.775 ( 0.026 0.000 0.000) 0.026 8.814 ( -4.666 0.000 0.000) 4.666 9.049 ( -8.167 0.000 0.000) 8.167 9.097 ( -6.176 0.000 0.000) 6.176 9.170 ( -7.454 0.000 0.000) 7.454 9.219 ( -5.887 0.000 0.000) 5.887 9.274 ( -12.736 0.000 0.000) 12.736 9.529 ( -7.610 0.000 0.000) 7.610 9.555 ( 8.696 0.000 0.000) 8.696 9.930 ( -6.970 0.000 0.000) 6.970 9.969 ( 0.715 0.000 0.000) 0.715 10.052 ( -2.665 0.000 0.000) 2.665 10.339 ( 8.039 0.000 0.000) 8.039 10.363 ( 2.297 0.000 0.000) 2.297 10.443 ( 3.537 0.000 0.000) 3.537 10.500 ( -2.221 0.000 0.000) 2.221 10.513 ( 7.852 0.000 0.000) 7.852 10.534 ( 5.925 0.000 0.000) 5.925 10.632 ( 8.190 0.000 0.000) 8.190 10.713 ( -3.844 0.000 0.000) 3.844 11.028 ( -3.418 0.000 0.000) 3.418 11.038 ( 2.015 0.000 0.000) 2.015 11.091 ( 1.715 0.000 0.000) 1.715 11.318 ( -7.053 0.000 0.000) 7.053 11.389 ( 2.538 0.000 0.000) 2.538 11.463 ( 0.126 0.000 0.000) 0.126 11.478 ( 16.754 0.000 0.000) 16.754 11.725 ( 2.528 0.000 0.000) 2.528 11.874 ( -2.260 0.000 0.000) 2.260 11.927 ( 7.521 0.000 0.000) 7.521 12.018 ( 18.909 0.000 0.000) 18.909 12.147 ( 8.959 0.000 0.000) 8.959 12.205 ( 1.428 0.000 0.000) 1.428 12.319 ( 4.634 0.000 0.000) 4.634 12.512 ( -9.211 0.000 0.000) 9.211 12.675 ( -4.154 0.000 0.000) 4.154 12.718 ( -3.318 0.000 0.000) 3.318 13.309 ( -1.822 0.000 0.000) 1.822 13.341 ( -11.372 0.000 0.000) 11.372 13.603 ( 6.407 0.000 0.000) 6.407 14.091 ( 24.201 0.000 0.000) 24.201 14.198 ( 6.244 0.000 0.000) 6.244 14.336 ( -6.276 0.000 0.000) 6.276 14.516 ( -9.361 0.000 0.000) 9.361 14.519 ( 7.351 0.000 0.000) 7.351 15.005 ( 27.888 0.000 0.000) 27.888 15.024 ( 0.651 0.000 0.000) 0.651 15.320 ( -2.339 0.000 0.000) 2.339 15.639 ( -26.783 0.000 0.000) 26.783 16.085 ( 0.851 0.000 0.000) 0.851 16.130 ( 8.992 0.000 0.000) 8.992 16.473 ( -1.664 0.000 0.000) 1.664 17.055 ( 6.831 0.000 0.000) 6.831 17.328 ( -5.397 0.000 0.000) 5.397 17.506 ( -3.859 0.000 0.000) 3.859 18.115 ( -4.151 0.000 0.000) 4.151 18.180 ( 0.640 0.000 0.000) 0.640 18.216 ( -2.140 0.000 0.000) 2.140 18.219 ( -2.630 0.000 0.000) 2.630 18.296 ( -0.231 0.000 0.000) 0.231 18.317 ( -0.142 0.000 0.000) 0.142 18.577 ( -8.309 0.000 0.000) 8.309 18.842 ( -7.254 0.000 0.000) 7.254 18.867 ( -9.827 0.000 0.000) 9.827 18.958 ( -5.486 0.000 0.000) 5.486 19.032 ( -4.620 0.000 0.000) 4.620 19.352 ( 0.919 0.000 0.000) 0.919 19.499 ( -4.509 0.000 0.000) 4.509 19.722 ( 11.451 0.000 0.000) 11.451 19.750 ( -3.138 0.000 0.000) 3.138 19.945 ( -0.430 0.000 0.000) 0.430 19.950 ( -5.921 0.000 0.000) 5.921 20.159 ( -1.314 0.000 0.000) 1.314 20.249 ( -2.285 0.000 0.000) 2.285 20.359 ( 7.896 0.000 0.000) 7.896 20.528 ( 4.290 0.000 0.000) 4.290 20.600 ( 7.519 0.000 0.000) 7.519 20.773 ( 8.472 0.000 0.000) 8.472 20.847 ( -7.315 0.000 0.000) 7.315 20.872 ( -3.508 0.000 0.000) 3.508 20.921 ( -1.464 0.000 0.000) 1.464 21.032 ( 8.880 0.000 0.000) 8.880 21.634 ( 3.672 0.000 0.000) 3.672 22.835 ( -9.038 0.000 0.000) 9.038 23.471 ( 7.466 0.000 0.000) 7.466 23.678 ( -2.477 0.000 0.000) 2.477 102.782 ( 1.263 0.000 0.000) 1.263 102.856 ( -0.325 0.000 0.000) 0.325 102.857 ( -0.217 0.000 0.000) 0.217 102.940 ( -0.821 0.000 0.000) 0.821 103.110 ( 0.630 0.000 0.000) 0.630 103.119 ( 1.210 0.000 0.000) 1.210 103.150 ( 0.823 0.000 0.000) 0.823 103.298 ( -2.123 0.000 0.000) 2.123 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 26.481 0.000 0.000) 26.481 2.179 ( 29.393 0.000 0.000) 29.393 2.373 ( 0.143 0.000 0.000) 0.143 2.551 ( 5.007 0.000 0.000) 5.007 2.728 ( -1.902 0.000 0.000) 1.902 2.876 ( 1.148 0.000 0.000) 1.148 2.945 ( 12.839 0.000 0.000) 12.839 3.127 ( 2.082 0.000 0.000) 2.082 3.265 ( 8.116 0.000 0.000) 8.116 3.333 ( 4.185 0.000 0.000) 4.185 3.500 ( 0.183 0.000 0.000) 0.183 3.740 ( 5.371 0.000 0.000) 5.371 3.782 ( 20.580 0.000 0.000) 20.580 3.835 ( 0.373 0.000 0.000) 0.373 3.963 ( -11.024 0.000 0.000) 11.024 4.051 ( -7.475 0.000 0.000) 7.475 4.179 ( -0.794 0.000 0.000) 0.794 4.431 ( 8.886 0.000 0.000) 8.886 4.739 ( -15.116 0.000 0.000) 15.116 5.021 ( 12.008 0.000 0.000) 12.008 5.029 ( 14.722 0.000 0.000) 14.722 5.116 ( 3.116 0.000 0.000) 3.116 5.244 ( -13.853 0.000 0.000) 13.853 5.268 ( -1.142 0.000 0.000) 1.142 5.574 ( -0.975 0.000 0.000) 0.975 5.749 ( -2.572 0.000 0.000) 2.572 5.777 ( 17.878 0.000 0.000) 17.878 5.933 ( 5.572 0.000 0.000) 5.572 6.020 ( 14.412 0.000 0.000) 14.412 6.063 ( -0.488 0.000 0.000) 0.488 6.155 ( -1.969 0.000 0.000) 1.969 6.298 ( -3.495 0.000 0.000) 3.495 6.567 ( -9.100 0.000 0.000) 9.100 6.672 ( 9.870 0.000 0.000) 9.870 6.747 ( -8.178 0.000 0.000) 8.178 6.849 ( 4.409 0.000 0.000) 4.409 6.942 ( -0.798 0.000 0.000) 0.798 7.049 ( 14.657 0.000 0.000) 14.657 7.237 ( -2.167 0.000 0.000) 2.167 7.473 ( -11.114 0.000 0.000) 11.114 7.718 ( -12.666 0.000 0.000) 12.666 7.863 ( -3.670 0.000 0.000) 3.670 7.921 ( -4.093 0.000 0.000) 4.093 7.964 ( -19.510 0.000 0.000) 19.510 8.061 ( -2.447 0.000 0.000) 2.447 8.243 ( -18.911 0.000 0.000) 18.911 8.247 ( 6.292 0.000 0.000) 6.292 8.277 ( -9.902 0.000 0.000) 9.902 8.372 ( -5.022 0.000 0.000) 5.022 8.503 ( 2.377 0.000 0.000) 2.377 8.730 ( -1.878 0.000 0.000) 1.878 8.759 ( -0.126 0.000 0.000) 0.126 8.893 ( -7.361 0.000 0.000) 7.361 8.988 ( -3.453 0.000 0.000) 3.453 9.021 ( -6.566 0.000 0.000) 6.566 9.035 ( -9.792 0.000 0.000) 9.792 9.171 ( -0.476 0.000 0.000) 0.476 9.377 ( -6.825 0.000 0.000) 6.825 9.727 ( -10.043 0.000 0.000) 10.043 9.783 ( 11.978 0.000 0.000) 11.978 9.963 ( -6.130 0.000 0.000) 6.130 10.070 ( 8.708 0.000 0.000) 8.708 10.416 ( 3.410 0.000 0.000) 3.410 10.428 ( -5.099 0.000 0.000) 5.099 10.493 ( 6.423 0.000 0.000) 6.423 10.575 ( 7.751 0.000 0.000) 7.751 10.599 ( -0.310 0.000 0.000) 0.310 10.622 ( 2.613 0.000 0.000) 2.613 10.625 ( -4.383 0.000 0.000) 4.383 10.775 ( 5.057 0.000 0.000) 5.057 10.949 ( -4.214 0.000 0.000) 4.214 11.119 ( 6.762 0.000 0.000) 6.762 11.142 ( 3.870 0.000 0.000) 3.870 11.163 ( -7.896 0.000 0.000) 7.896 11.451 ( -1.895 0.000 0.000) 1.895 11.485 ( 6.466 0.000 0.000) 6.466 11.724 ( -3.656 0.000 0.000) 3.656 11.820 ( -2.804 0.000 0.000) 2.804 11.825 ( 15.416 0.000 0.000) 15.416 12.070 ( 5.739 0.000 0.000) 5.739 12.157 ( -2.860 0.000 0.000) 2.860 12.307 ( 6.343 0.000 0.000) 6.343 12.327 ( 9.923 0.000 0.000) 9.923 12.347 ( -6.480 0.000 0.000) 6.480 12.443 ( 4.701 0.000 0.000) 4.701 12.588 ( -4.266 0.000 0.000) 4.266 12.659 ( -1.776 0.000 0.000) 1.776 13.102 ( -11.551 0.000 0.000) 11.551 13.370 ( 8.909 0.000 0.000) 8.909 13.771 ( 8.933 0.000 0.000) 8.933 14.205 ( -7.392 0.000 0.000) 7.392 14.306 ( -10.041 0.000 0.000) 10.041 14.336 ( 7.000 0.000 0.000) 7.000 14.574 ( 21.238 0.000 0.000) 21.238 14.688 ( 8.634 0.000 0.000) 8.634 14.948 ( -10.690 0.000 0.000) 10.690 15.182 ( -13.337 0.000 0.000) 13.337 15.262 ( -3.445 0.000 0.000) 3.445 15.579 ( 26.233 0.000 0.000) 26.233 16.132 ( 4.033 0.000 0.000) 4.033 16.289 ( 5.190 0.000 0.000) 5.190 16.451 ( -0.872 0.000 0.000) 0.872 17.075 ( -4.179 0.000 0.000) 4.179 17.204 ( -6.309 0.000 0.000) 6.309 17.553 ( 8.386 0.000 0.000) 8.386 18.024 ( -4.732 0.000 0.000) 4.732 18.162 ( -2.238 0.000 0.000) 2.238 18.175 ( -1.605 0.000 0.000) 1.605 18.192 ( 0.311 0.000 0.000) 0.311 18.287 ( -0.488 0.000 0.000) 0.488 18.308 ( -0.663 0.000 0.000) 0.663 18.455 ( -3.394 0.000 0.000) 3.394 18.624 ( -12.542 0.000 0.000) 12.542 18.695 ( -6.664 0.000 0.000) 6.664 18.826 ( -6.378 0.000 0.000) 6.378 18.908 ( -6.877 0.000 0.000) 6.877 19.407 ( 4.005 0.000 0.000) 4.005 19.460 ( 0.867 0.000 0.000) 0.867 19.706 ( -0.868 0.000 0.000) 0.868 19.816 ( -7.076 0.000 0.000) 7.076 19.834 ( -7.966 0.000 0.000) 7.966 19.950 ( 9.396 0.000 0.000) 9.396 20.104 ( -8.647 0.000 0.000) 8.647 20.165 ( 2.465 0.000 0.000) 2.465 20.512 ( 5.809 0.000 0.000) 5.809 20.550 ( -5.697 0.000 0.000) 5.697 20.679 ( -7.750 0.000 0.000) 7.750 20.747 ( 1.129 0.000 0.000) 1.129 20.762 ( 6.220 0.000 0.000) 6.220 20.876 ( -2.876 0.000 0.000) 2.876 21.176 ( 22.071 0.000 0.000) 22.071 21.238 ( 10.487 0.000 0.000) 10.487 21.670 ( -0.588 0.000 0.000) 0.588 22.562 ( -17.049 0.000 0.000) 17.049 23.617 ( 6.018 0.000 0.000) 6.018 23.670 ( 1.429 0.000 0.000) 1.429 102.811 ( 1.464 0.000 0.000) 1.464 102.849 ( -0.326 0.000 0.000) 0.326 102.853 ( -0.015 0.000 0.000) 0.015 102.919 ( -1.219 0.000 0.000) 1.219 103.129 ( 1.164 0.000 0.000) 1.164 103.144 ( 1.076 0.000 0.000) 1.076 103.165 ( 0.596 0.000 0.000) 0.596 103.251 ( -2.344 0.000 0.000) 2.344 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 2.577 0.000 0.000) 2.577 2.452 ( -0.391 0.000 0.000) 0.391 2.469 ( 15.951 0.000 0.000) 15.951 2.664 ( -4.472 0.000 0.000) 4.472 2.840 ( 19.360 0.000 0.000) 19.360 2.921 ( 3.732 0.000 0.000) 3.732 3.017 ( -3.338 0.000 0.000) 3.338 3.103 ( -5.747 0.000 0.000) 5.747 3.432 ( 5.825 0.000 0.000) 5.825 3.446 ( 4.218 0.000 0.000) 4.218 3.536 ( 5.397 0.000 0.000) 5.397 3.729 ( -11.116 0.000 0.000) 11.116 3.821 ( 2.339 0.000 0.000) 2.339 3.843 ( 0.007 0.000 0.000) 0.007 3.993 ( 5.063 0.000 0.000) 5.063 4.130 ( 7.923 0.000 0.000) 7.923 4.170 ( 0.165 0.000 0.000) 0.165 4.310 ( -22.227 0.000 0.000) 22.227 4.590 ( 11.855 0.000 0.000) 11.855 4.922 ( -16.995 0.000 0.000) 16.995 5.199 ( 4.631 0.000 0.000) 4.631 5.219 ( 5.476 0.000 0.000) 5.476 5.237 ( 3.501 0.000 0.000) 3.501 5.261 ( -0.070 0.000 0.000) 0.070 5.613 ( 4.957 0.000 0.000) 4.957 5.706 ( -2.515 0.000 0.000) 2.515 6.041 ( 1.888 0.000 0.000) 1.888 6.047 ( 2.779 0.000 0.000) 2.779 6.050 ( 0.627 0.000 0.000) 0.627 6.145 ( -8.374 0.000 0.000) 8.374 6.275 ( 15.184 0.000 0.000) 15.184 6.392 ( 19.172 0.000 0.000) 19.172 6.418 ( -4.155 0.000 0.000) 4.155 6.669 ( 3.797 0.000 0.000) 3.797 6.718 ( -9.011 0.000 0.000) 9.011 6.979 ( 5.472 0.000 0.000) 5.472 6.986 ( -19.818 0.000 0.000) 19.818 7.017 ( 5.765 0.000 0.000) 5.765 7.366 ( 10.497 0.000 0.000) 10.497 7.393 ( 2.159 0.000 0.000) 2.159 7.524 ( -1.976 0.000 0.000) 1.976 7.653 ( -10.269 0.000 0.000) 10.269 7.808 ( 2.968 0.000 0.000) 2.968 7.825 ( -3.788 0.000 0.000) 3.788 7.888 ( -12.469 0.000 0.000) 12.469 8.045 ( -3.229 0.000 0.000) 3.229 8.108 ( -13.447 0.000 0.000) 13.447 8.111 ( -3.800 0.000 0.000) 3.800 8.437 ( 10.553 0.000 0.000) 10.553 8.610 ( 6.243 0.000 0.000) 6.243 8.652 ( -8.129 0.000 0.000) 8.129 8.739 ( -6.559 0.000 0.000) 6.559 8.787 ( 2.766 0.000 0.000) 2.766 8.874 ( -5.806 0.000 0.000) 5.806 8.925 ( -1.968 0.000 0.000) 1.968 8.941 ( -2.363 0.000 0.000) 2.363 9.184 ( 1.944 0.000 0.000) 1.944 9.254 ( -4.782 0.000 0.000) 4.782 9.642 ( 3.383 0.000 0.000) 3.383 9.797 ( -9.057 0.000 0.000) 9.057 10.036 ( 11.960 0.000 0.000) 11.960 10.271 ( -10.002 0.000 0.000) 10.002 10.289 ( 11.264 0.000 0.000) 11.264 10.489 ( 3.151 0.000 0.000) 3.151 10.499 ( -8.166 0.000 0.000) 8.166 10.547 ( -2.932 0.000 0.000) 2.932 10.601 ( 3.508 0.000 0.000) 3.508 10.644 ( -0.516 0.000 0.000) 0.516 10.729 ( 6.769 0.000 0.000) 6.769 10.853 ( -5.202 0.000 0.000) 5.202 10.869 ( 4.999 0.000 0.000) 4.999 10.999 ( -7.467 0.000 0.000) 7.467 11.253 ( 6.241 0.000 0.000) 6.241 11.320 ( 11.787 0.000 0.000) 11.787 11.376 ( -5.141 0.000 0.000) 5.141 11.566 ( -10.801 0.000 0.000) 10.801 11.631 ( 6.869 0.000 0.000) 6.869 11.750 ( -4.385 0.000 0.000) 4.385 12.055 ( 5.917 0.000 0.000) 5.917 12.115 ( -1.518 0.000 0.000) 1.518 12.164 ( 3.633 0.000 0.000) 3.633 12.240 ( -4.107 0.000 0.000) 4.107 12.416 ( 4.440 0.000 0.000) 4.440 12.477 ( 5.335 0.000 0.000) 5.335 12.501 ( -4.013 0.000 0.000) 4.013 12.507 ( 1.542 0.000 0.000) 1.542 12.669 ( 3.984 0.000 0.000) 3.984 12.857 ( -11.905 0.000 0.000) 11.905 13.649 ( 16.150 0.000 0.000) 16.150 13.956 ( 8.731 0.000 0.000) 8.731 13.975 ( -14.244 0.000 0.000) 14.244 14.130 ( -7.922 0.000 0.000) 7.922 14.487 ( 7.617 0.000 0.000) 7.617 14.675 ( -11.480 0.000 0.000) 11.480 14.865 ( 8.141 0.000 0.000) 8.141 14.943 ( 14.004 0.000 0.000) 14.004 15.019 ( -6.574 0.000 0.000) 6.574 15.158 ( -7.136 0.000 0.000) 7.136 16.049 ( 18.064 0.000 0.000) 18.064 16.255 ( 7.374 0.000 0.000) 7.374 16.296 ( -5.456 0.000 0.000) 5.456 16.398 ( -5.126 0.000 0.000) 5.126 17.010 ( -0.039 0.000 0.000) 0.039 17.077 ( -5.488 0.000 0.000) 5.488 17.759 ( 9.598 0.000 0.000) 9.598 17.916 ( -5.880 0.000 0.000) 5.880 18.160 ( 0.348 0.000 0.000) 0.348 18.163 ( 3.368 0.000 0.000) 3.368 18.183 ( -1.226 0.000 0.000) 1.226 18.283 ( 0.162 0.000 0.000) 0.162 18.293 ( -0.706 0.000 0.000) 0.706 18.320 ( -10.651 0.000 0.000) 10.651 18.492 ( 1.553 0.000 0.000) 1.553 18.571 ( -5.210 0.000 0.000) 5.210 18.737 ( -1.345 0.000 0.000) 1.345 18.778 ( -4.839 0.000 0.000) 4.839 19.510 ( 5.849 0.000 0.000) 5.849 19.527 ( 5.258 0.000 0.000) 5.258 19.647 ( -7.050 0.000 0.000) 7.050 19.662 ( -7.369 0.000 0.000) 7.369 19.752 ( 3.240 0.000 0.000) 3.240 19.882 ( -8.521 0.000 0.000) 8.521 20.178 ( 9.410 0.000 0.000) 9.410 20.268 ( 7.149 0.000 0.000) 7.149 20.374 ( -9.435 0.000 0.000) 9.435 20.443 ( -9.018 0.000 0.000) 9.018 20.690 ( 5.678 0.000 0.000) 5.678 20.799 ( -4.563 0.000 0.000) 4.563 20.807 ( 2.770 0.000 0.000) 2.770 20.832 ( 0.728 0.000 0.000) 0.728 21.448 ( 9.264 0.000 0.000) 9.264 21.605 ( -5.407 0.000 0.000) 5.407 21.665 ( 23.942 0.000 0.000) 23.942 22.149 ( -22.163 0.000 0.000) 22.163 23.704 ( 2.124 0.000 0.000) 2.124 23.707 ( 1.418 0.000 0.000) 1.418 102.835 ( 0.660 0.000 0.000) 0.660 102.843 ( -0.267 0.000 0.000) 0.267 102.862 ( 1.038 0.000 0.000) 1.038 102.891 ( -1.471 0.000 0.000) 1.471 103.156 ( 1.208 0.000 0.000) 1.208 103.161 ( 0.483 0.000 0.000) 0.483 103.175 ( 0.558 0.000 0.000) 0.558 103.205 ( -2.050 0.000 0.000) 2.050 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 27.831 0.000) 27.831 0.656 ( 0.000 34.681 0.000) 34.681 1.237 ( 0.000 59.688 0.000) 59.688 2.193 ( 0.000 4.210 0.000) 4.210 2.607 ( 0.000 -1.449 0.000) 1.449 2.645 ( 0.000 -1.366 0.000) 1.366 2.820 ( 0.000 1.581 0.000) 1.581 2.864 ( 0.000 -1.268 0.000) 1.268 3.126 ( 0.000 -21.317 0.000) 21.317 3.161 ( 0.000 12.745 0.000) 12.745 3.308 ( 0.000 -10.436 0.000) 10.436 3.344 ( 0.000 16.178 0.000) 16.178 3.389 ( 0.000 -8.500 0.000) 8.500 3.540 ( 0.000 10.616 0.000) 10.616 4.070 ( 0.000 -4.384 0.000) 4.384 4.073 ( 0.000 1.727 0.000) 1.727 4.212 ( 0.000 10.505 0.000) 10.505 4.642 ( 0.000 3.307 0.000) 3.307 4.760 ( 0.000 24.360 0.000) 24.360 4.764 ( 0.000 -4.518 0.000) 4.518 4.880 ( 0.000 -5.714 0.000) 5.714 4.956 ( 0.000 6.946 0.000) 6.946 5.107 ( 0.000 -0.581 0.000) 0.581 5.542 ( 0.000 -2.881 0.000) 2.881 5.675 ( 0.000 -1.300 0.000) 1.300 5.690 ( 0.000 -6.175 0.000) 6.175 5.691 ( 0.000 -4.877 0.000) 4.877 5.773 ( 0.000 -6.545 0.000) 6.545 5.991 ( 0.000 2.426 0.000) 2.426 6.170 ( 0.000 -7.693 0.000) 7.693 6.234 ( 0.000 0.834 0.000) 0.834 6.610 ( 0.000 -12.969 0.000) 12.969 6.821 ( 0.000 -10.416 0.000) 10.416 6.953 ( 0.000 -0.915 0.000) 0.915 7.123 ( 0.000 -11.426 0.000) 11.426 7.169 ( 0.000 17.794 0.000) 17.794 7.188 ( 0.000 4.228 0.000) 4.228 7.282 ( 0.000 18.897 0.000) 18.897 7.402 ( 0.000 5.348 0.000) 5.348 7.607 ( 0.000 -20.790 0.000) 20.790 7.644 ( 0.000 3.050 0.000) 3.050 7.954 ( 0.000 1.796 0.000) 1.796 7.969 ( 0.000 7.917 0.000) 7.917 8.063 ( 0.000 4.721 0.000) 4.721 8.135 ( 0.000 -1.242 0.000) 1.242 8.400 ( 0.000 3.942 0.000) 3.942 8.487 ( 0.000 -10.855 0.000) 10.855 8.522 ( 0.000 -4.297 0.000) 4.297 8.715 ( 0.000 4.111 0.000) 4.111 8.892 ( 0.000 -6.919 0.000) 6.919 8.989 ( 0.000 -8.880 0.000) 8.880 9.045 ( 0.000 12.889 0.000) 12.889 9.120 ( 0.000 -7.026 0.000) 7.026 9.477 ( 0.000 2.282 0.000) 2.282 9.508 ( 0.000 8.139 0.000) 8.139 9.512 ( 0.000 1.904 0.000) 1.904 9.696 ( 0.000 3.893 0.000) 3.893 9.839 ( 0.000 5.268 0.000) 5.268 9.881 ( 0.000 -1.573 0.000) 1.573 9.904 ( 0.000 -7.807 0.000) 7.807 9.920 ( 0.000 -6.028 0.000) 6.028 10.107 ( 0.000 -0.837 0.000) 0.837 10.131 ( 0.000 4.807 0.000) 4.807 10.145 ( 0.000 -5.380 0.000) 5.380 10.152 ( 0.000 -8.265 0.000) 8.265 10.255 ( 0.000 1.454 0.000) 1.454 10.338 ( 0.000 1.487 0.000) 1.487 10.651 ( 0.000 0.723 0.000) 0.723 10.724 ( 0.000 14.359 0.000) 14.359 10.840 ( 0.000 6.754 0.000) 6.754 10.879 ( 0.000 -1.122 0.000) 1.122 10.881 ( 0.000 -3.671 0.000) 3.671 11.099 ( 0.000 -5.606 0.000) 5.606 11.187 ( 0.000 13.704 0.000) 13.704 11.292 ( 0.000 -13.872 0.000) 13.872 11.410 ( 0.000 -11.674 0.000) 11.674 11.448 ( 0.000 1.559 0.000) 1.559 11.597 ( 0.000 -7.224 0.000) 7.224 11.746 ( 0.000 -0.917 0.000) 0.917 11.785 ( 0.000 2.917 0.000) 2.917 11.959 ( 0.000 4.502 0.000) 4.502 11.968 ( 0.000 3.128 0.000) 3.128 12.028 ( 0.000 14.665 0.000) 14.665 12.412 ( 0.000 5.426 0.000) 5.426 12.712 ( 0.000 -7.001 0.000) 7.001 12.727 ( 0.000 -7.157 0.000) 7.157 12.754 ( 0.000 -6.509 0.000) 6.509 13.233 ( 0.000 -13.309 0.000) 13.309 13.418 ( 0.000 15.589 0.000) 15.589 13.603 ( 0.000 3.998 0.000) 3.998 13.825 ( 0.000 12.309 0.000) 12.309 14.016 ( 0.000 -0.144 0.000) 0.144 14.276 ( 0.000 3.389 0.000) 3.389 14.303 ( 0.000 2.511 0.000) 2.511 14.524 ( 0.000 -1.141 0.000) 1.141 14.740 ( 0.000 -0.613 0.000) 0.613 14.866 ( 0.000 -6.012 0.000) 6.012 15.596 ( 0.000 -6.830 0.000) 6.830 15.776 ( 0.000 -10.340 0.000) 10.340 16.145 ( 0.000 5.556 0.000) 5.556 16.198 ( 0.000 -21.684 0.000) 21.684 16.553 ( 0.000 3.513 0.000) 3.513 16.611 ( 0.000 -2.913 0.000) 2.913 16.612 ( 0.000 -6.178 0.000) 6.178 17.664 ( 0.000 1.688 0.000) 1.688 18.017 ( 0.000 -14.711 0.000) 14.711 18.155 ( 0.000 -6.248 0.000) 6.248 18.162 ( 0.000 -2.288 0.000) 2.288 18.234 ( 0.000 5.700 0.000) 5.700 18.432 ( 0.000 3.474 0.000) 3.474 18.610 ( 0.000 11.637 0.000) 11.637 18.650 ( 0.000 8.321 0.000) 8.321 19.021 ( 0.000 -1.195 0.000) 1.195 19.059 ( 0.000 0.639 0.000) 0.639 19.072 ( 0.000 -7.116 0.000) 7.116 19.113 ( 0.000 4.054 0.000) 4.054 19.409 ( 0.000 1.006 0.000) 1.006 19.424 ( 0.000 2.234 0.000) 2.234 19.585 ( 0.000 -5.701 0.000) 5.701 19.678 ( 0.000 -2.386 0.000) 2.386 19.820 ( 0.000 1.797 0.000) 1.797 20.052 ( 0.000 4.828 0.000) 4.828 20.146 ( 0.000 3.761 0.000) 3.761 20.241 ( 0.000 4.473 0.000) 4.473 20.472 ( 0.000 0.347 0.000) 0.347 20.525 ( 0.000 -2.785 0.000) 2.785 20.839 ( 0.000 25.166 0.000) 25.166 20.858 ( 0.000 -5.668 0.000) 5.668 20.907 ( 0.000 2.087 0.000) 2.087 20.946 ( 0.000 -4.693 0.000) 4.693 21.033 ( 0.000 2.406 0.000) 2.406 21.074 ( 0.000 2.989 0.000) 2.989 21.482 ( 0.000 -1.669 0.000) 1.669 22.588 ( 0.000 3.324 0.000) 3.324 23.193 ( 0.000 -8.649 0.000) 8.649 23.490 ( 0.000 -6.129 0.000) 6.129 102.765 ( 0.000 1.147 0.000) 1.147 102.864 ( 0.000 0.118 0.000) 0.118 102.966 ( 0.000 0.869 0.000) 0.869 103.075 ( 0.000 -0.753 0.000) 0.753 103.097 ( 0.000 -0.416 0.000) 0.416 103.104 ( 0.000 0.822 0.000) 0.822 103.120 ( 0.000 -0.525 0.000) 0.525 103.219 ( 0.000 -0.829 0.000) 0.829 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 26.846 14.619 0.000) 30.568 0.887 ( 23.879 18.826 0.000) 30.407 1.777 ( 39.894 42.366 0.000) 58.193 2.318 ( 8.352 2.325 0.000) 8.670 2.550 ( -5.234 -0.248 0.000) 5.240 2.731 ( 9.437 -1.506 0.000) 9.557 2.839 ( -1.419 -1.241 0.000) 1.885 2.920 ( 6.206 2.129 0.000) 6.561 3.180 ( 3.919 2.496 0.000) 4.646 3.204 ( 4.825 -18.454 0.000) 19.074 3.275 ( -2.659 8.417 0.000) 8.827 3.416 ( 0.881 -4.969 0.000) 5.046 3.512 ( 8.761 -0.298 0.000) 8.766 3.658 ( 14.167 4.717 0.000) 14.931 3.948 ( -6.550 1.339 0.000) 6.686 4.126 ( 4.088 -4.707 0.000) 6.235 4.209 ( -0.253 7.354 0.000) 7.358 4.609 ( -5.537 14.584 0.000) 15.599 4.685 ( -4.096 -9.736 0.000) 10.562 4.729 ( 2.432 12.280 0.000) 12.518 4.971 ( 4.531 -3.139 0.000) 5.512 5.170 ( 13.681 7.981 0.000) 15.839 5.192 ( 7.793 2.063 0.000) 8.062 5.470 ( -15.915 10.789 0.000) 19.227 5.572 ( 3.071 -4.264 0.000) 5.255 5.638 ( -5.396 -4.622 0.000) 7.105 5.752 ( -1.055 -6.671 0.000) 6.754 5.773 ( -1.613 3.349 0.000) 3.717 6.019 ( 2.974 4.129 0.000) 5.089 6.066 ( -15.139 16.971 0.000) 22.742 6.219 ( 4.425 -8.099 0.000) 9.229 6.310 ( -17.004 6.935 0.000) 18.364 6.667 ( 3.908 -9.763 0.000) 10.516 6.773 ( -6.260 -2.284 0.000) 6.664 6.968 ( -15.629 13.927 0.000) 20.934 7.057 ( -6.696 6.774 0.000) 9.524 7.096 ( -3.507 -9.949 0.000) 10.549 7.192 ( -3.710 7.291 0.000) 8.181 7.312 ( -10.645 7.523 0.000) 13.035 7.676 ( 0.500 -9.641 0.000) 9.654 7.775 ( 10.858 0.071 0.000) 10.859 7.874 ( -2.326 -1.148 0.000) 2.594 8.030 ( 1.216 6.453 0.000) 6.567 8.126 ( 6.087 2.015 0.000) 6.411 8.131 ( -1.269 0.210 0.000) 1.286 8.356 ( -5.932 -10.700 0.000) 12.235 8.358 ( -4.455 3.320 0.000) 5.556 8.655 ( 3.655 -7.767 0.000) 8.584 8.711 ( -0.867 1.005 0.000) 1.327 8.724 ( -12.999 -6.542 0.000) 14.552 8.853 ( -10.982 -8.549 0.000) 13.917 9.048 ( -0.155 13.070 0.000) 13.071 9.100 ( -1.770 -5.698 0.000) 5.967 9.308 ( -11.784 2.498 0.000) 12.046 9.350 ( -12.780 6.135 0.000) 14.176 9.466 ( -4.924 0.478 0.000) 4.947 9.474 ( -13.225 2.887 0.000) 13.536 9.713 ( -6.773 2.147 0.000) 7.105 9.759 ( -7.740 11.229 0.000) 13.638 9.987 ( -2.834 -1.631 0.000) 3.269 10.018 ( 4.020 4.358 0.000) 5.929 10.029 ( -0.532 -5.601 0.000) 5.626 10.170 ( 2.301 -2.053 0.000) 3.084 10.216 ( 5.900 -3.933 0.000) 7.091 10.261 ( 8.653 -8.640 0.000) 12.228 10.358 ( 9.173 -0.624 0.000) 9.194 10.375 ( 0.842 3.380 0.000) 3.483 10.529 ( -2.301 -1.988 0.000) 3.041 10.680 ( -3.738 11.916 0.000) 12.489 10.837 ( -0.698 6.602 0.000) 6.639 10.933 ( 3.551 -3.967 0.000) 5.325 10.982 ( 6.332 -5.701 0.000) 8.520 11.052 ( -2.251 -5.211 0.000) 5.676 11.254 ( -2.118 -14.110 0.000) 14.268 11.311 ( 9.780 13.203 0.000) 16.431 11.461 ( 0.592 -2.490 0.000) 2.559 11.610 ( 7.049 5.333 0.000) 8.839 11.636 ( 4.724 -8.497 0.000) 9.722 11.685 ( 1.629 12.669 0.000) 12.773 11.801 ( 5.446 0.860 0.000) 5.514 11.895 ( -3.240 4.641 0.000) 5.660 11.960 ( 7.479 1.232 0.000) 7.580 12.148 ( 6.959 9.295 0.000) 11.611 12.381 ( -2.337 4.372 0.000) 4.957 12.631 ( -7.093 -7.239 0.000) 10.134 12.722 ( -3.248 -3.893 0.000) 5.070 12.743 ( -0.499 -4.665 0.000) 4.692 13.346 ( 6.062 -12.459 0.000) 13.855 13.430 ( -0.916 9.410 0.000) 9.455 13.622 ( 1.311 7.873 0.000) 7.981 13.829 ( 4.144 11.520 0.000) 12.243 14.069 ( 4.643 -1.019 0.000) 4.754 14.387 ( 5.526 0.136 0.000) 5.527 14.432 ( 0.701 -3.016 0.000) 3.096 14.493 ( 8.104 0.474 0.000) 8.118 14.691 ( -1.560 1.597 0.000) 2.232 14.921 ( 3.434 -5.611 0.000) 6.579 15.375 ( -7.170 -0.861 0.000) 7.221 15.879 ( 6.514 -8.489 0.000) 10.700 15.982 ( -18.945 -18.185 0.000) 26.260 16.129 ( -0.469 4.738 0.000) 4.761 16.488 ( -3.600 -3.250 0.000) 4.850 16.790 ( 8.242 -7.500 0.000) 11.143 17.051 ( 18.070 -22.998 0.000) 29.248 17.625 ( -3.404 2.821 0.000) 4.421 17.956 ( -5.147 -12.366 0.000) 13.394 18.104 ( -2.849 -8.950 0.000) 9.393 18.123 ( -2.965 -3.158 0.000) 4.331 18.246 ( 0.520 4.920 0.000) 4.947 18.437 ( 0.446 3.799 0.000) 3.825 18.515 ( -2.701 12.975 0.000) 13.253 18.804 ( 2.851 1.935 0.000) 3.446 18.927 ( -5.778 -4.653 0.000) 7.418 18.981 ( -5.514 0.624 0.000) 5.550 19.117 ( -0.785 5.980 0.000) 6.031 19.125 ( 1.510 -1.458 0.000) 2.099 19.374 ( -2.384 1.135 0.000) 2.641 19.458 ( 4.358 -0.348 0.000) 4.372 19.537 ( -7.772 -6.073 0.000) 9.863 19.756 ( 10.887 -2.967 0.000) 11.284 19.859 ( 1.143 3.680 0.000) 3.854 20.108 ( -2.073 3.929 0.000) 4.442 20.176 ( 7.709 3.724 0.000) 8.561 20.239 ( 0.875 2.103 0.000) 2.278 20.460 ( -4.247 3.912 0.000) 5.774 20.547 ( 1.185 -1.953 0.000) 2.285 20.629 ( -9.019 14.565 0.000) 17.132 20.731 ( -5.753 8.289 0.000) 10.090 20.917 ( 0.039 -1.496 0.000) 1.497 20.938 ( 1.400 3.144 0.000) 3.442 21.004 ( 1.038 8.462 0.000) 8.525 21.039 ( -2.260 5.352 0.000) 5.810 21.526 ( 3.953 -1.687 0.000) 4.298 22.809 ( 5.793 -8.157 0.000) 10.005 23.247 ( 4.981 -8.832 0.000) 10.140 23.570 ( 3.101 -11.718 0.000) 12.121 102.772 ( 0.701 1.138 0.000) 1.336 102.863 ( -0.091 0.198 0.000) 0.218 102.954 ( -3.474 3.996 0.000) 5.295 102.966 ( -1.836 2.673 0.000) 3.243 103.094 ( 0.706 -0.305 0.000) 0.769 103.098 ( 0.129 -0.404 0.000) 0.424 103.127 ( 0.615 -0.630 0.000) 0.880 103.284 ( 0.976 -3.640 0.000) 3.769 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 28.245 5.496 0.000) 28.775 1.493 ( 31.629 3.832 0.000) 31.860 2.458 ( 6.699 1.468 0.000) 6.858 2.482 ( -1.275 5.555 0.000) 5.699 2.573 ( 28.342 18.519 0.000) 33.856 2.830 ( 0.723 -1.063 0.000) 1.285 2.873 ( 2.099 7.885 0.000) 8.159 3.046 ( 5.866 -0.779 0.000) 5.918 3.190 ( -1.933 -2.095 0.000) 2.851 3.279 ( 9.661 -1.263 0.000) 9.744 3.342 ( 5.044 -3.702 0.000) 6.257 3.516 ( 9.086 6.077 0.000) 10.930 3.712 ( 9.348 4.021 0.000) 10.176 3.802 ( -0.787 1.544 0.000) 1.734 3.990 ( 7.202 -6.204 0.000) 9.505 4.194 ( -1.599 1.226 0.000) 2.015 4.250 ( 6.228 -1.576 0.000) 6.425 4.502 ( -1.990 18.369 0.000) 18.477 4.630 ( -1.329 -15.803 0.000) 15.859 4.751 ( -3.473 13.293 0.000) 13.739 5.022 ( 1.053 -3.363 0.000) 3.524 5.140 ( -0.285 21.348 0.000) 21.350 5.366 ( 3.867 4.348 0.000) 5.819 5.484 ( 10.521 1.649 0.000) 10.650 5.501 ( -3.580 0.390 0.000) 3.601 5.615 ( 0.349 -3.782 0.000) 3.798 5.658 ( -4.068 5.342 0.000) 6.715 5.828 ( 9.510 -4.615 0.000) 10.571 6.032 ( 4.474 -0.385 0.000) 4.490 6.087 ( 1.133 8.495 0.000) 8.570 6.185 ( -1.213 -1.746 0.000) 2.126 6.358 ( 8.321 -8.268 0.000) 11.730 6.482 ( -15.422 11.270 0.000) 19.101 6.741 ( 0.691 -10.382 0.000) 10.405 6.742 ( -8.488 -0.320 0.000) 8.494 6.903 ( -4.764 2.443 0.000) 5.354 6.951 ( -9.654 1.436 0.000) 9.760 7.110 ( -8.031 6.651 0.000) 10.427 7.181 ( 2.606 -6.804 0.000) 7.286 7.572 ( -8.680 -2.231 0.000) 8.962 7.851 ( -1.881 -8.588 0.000) 8.792 7.954 ( 4.616 2.860 0.000) 5.430 8.021 ( -2.080 6.173 0.000) 6.514 8.121 ( 2.113 1.417 0.000) 2.544 8.196 ( -10.185 0.124 0.000) 10.186 8.221 ( -11.061 -10.930 0.000) 15.551 8.283 ( 7.171 -0.800 0.000) 7.215 8.441 ( -10.136 -2.140 0.000) 10.360 8.474 ( -14.322 -9.989 0.000) 17.462 8.671 ( -2.514 -3.077 0.000) 3.973 8.705 ( -9.349 -0.361 0.000) 9.356 9.001 ( -5.230 10.431 0.000) 11.669 9.027 ( -7.051 -3.267 0.000) 7.771 9.094 ( -7.664 -2.814 0.000) 8.165 9.100 ( -6.936 1.444 0.000) 7.085 9.266 ( -7.239 5.984 0.000) 9.392 9.284 ( -12.269 -0.597 0.000) 12.283 9.559 ( -8.454 2.545 0.000) 8.828 9.673 ( 2.660 9.677 0.000) 10.036 9.906 ( -4.358 0.260 0.000) 4.366 9.966 ( -4.486 -7.247 0.000) 8.523 10.077 ( 1.354 7.601 0.000) 7.720 10.273 ( 5.872 -6.570 0.000) 8.812 10.315 ( 4.558 -2.690 0.000) 5.293 10.400 ( 3.554 -3.236 0.000) 4.807 10.467 ( 1.035 -1.816 0.000) 2.090 10.488 ( 8.475 -2.131 0.000) 8.739 10.595 ( -3.480 3.869 0.000) 5.204 10.608 ( 9.500 -2.849 0.000) 9.918 10.822 ( -0.658 10.047 0.000) 10.069 11.001 ( 3.585 -3.575 0.000) 5.063 11.020 ( -1.684 -1.035 0.000) 1.977 11.107 ( 4.891 -0.998 0.000) 4.992 11.227 ( -0.798 -12.065 0.000) 12.092 11.425 ( -3.012 2.029 0.000) 3.631 11.544 ( 3.913 12.405 0.000) 13.007 11.589 ( 9.164 11.152 0.000) 14.434 11.724 ( 1.751 -9.466 0.000) 9.627 11.854 ( -0.640 6.707 0.000) 6.737 11.946 ( 7.590 1.763 0.000) 7.792 12.033 ( 18.679 1.850 0.000) 18.771 12.135 ( 8.287 -1.110 0.000) 8.361 12.226 ( -0.940 1.280 0.000) 1.588 12.364 ( 1.033 4.695 0.000) 4.807 12.476 ( -7.007 -4.043 0.000) 8.090 12.665 ( -1.230 -0.836 0.000) 1.488 12.709 ( -1.963 -1.463 0.000) 2.448 13.312 ( -7.810 -3.365 0.000) 8.505 13.376 ( -2.278 6.756 0.000) 7.130 13.708 ( 6.629 11.191 0.000) 13.007 14.109 ( 20.017 1.924 0.000) 20.109 14.182 ( 5.944 -1.777 0.000) 6.204 14.326 ( -5.448 -0.939 0.000) 5.528 14.486 ( -7.835 -3.034 0.000) 8.402 14.520 ( 7.430 0.344 0.000) 7.438 14.945 ( 4.724 -6.449 0.000) 7.994 15.022 ( 19.741 -0.201 0.000) 19.742 15.280 ( -3.288 -3.813 0.000) 5.035 15.522 ( -22.610 -10.641 0.000) 24.989 16.040 ( 8.144 -8.542 0.000) 11.803 16.128 ( 0.792 3.576 0.000) 3.663 16.441 ( -1.184 -2.954 0.000) 3.182 16.929 ( 4.068 -11.259 0.000) 11.971 17.201 ( -0.161 -13.776 0.000) 13.777 17.556 ( -1.892 5.643 0.000) 5.952 17.846 ( -4.803 -13.635 0.000) 14.456 18.053 ( -2.196 -10.851 0.000) 11.071 18.055 ( -3.499 -5.677 0.000) 6.669 18.248 ( -0.190 4.377 0.000) 4.381 18.450 ( 0.766 4.659 0.000) 4.722 18.479 ( -1.014 12.247 0.000) 12.289 18.709 ( -8.236 2.512 0.000) 8.611 18.860 ( -5.987 1.678 0.000) 6.218 18.864 ( -2.558 -1.704 0.000) 3.074 19.059 ( -5.274 9.838 0.000) 11.162 19.073 ( -5.918 5.308 0.000) 7.950 19.348 ( 0.065 0.397 0.000) 0.402 19.387 ( -5.253 -8.170 0.000) 9.713 19.603 ( 8.124 -7.789 0.000) 11.254 19.832 ( -2.905 3.912 0.000) 4.873 19.937 ( 2.753 1.017 0.000) 2.935 20.019 ( -5.032 5.800 0.000) 7.679 20.239 ( -5.052 1.315 0.000) 5.220 20.321 ( 7.381 -2.029 0.000) 7.655 20.387 ( 0.355 13.891 0.000) 13.895 20.550 ( 0.279 0.295 0.000) 0.406 20.628 ( 5.382 3.685 0.000) 6.523 20.662 ( -2.562 -6.012 0.000) 6.535 20.902 ( -1.050 -1.849 0.000) 2.127 20.910 ( -6.131 4.833 0.000) 7.807 21.052 ( 8.343 1.918 0.000) 8.561 21.095 ( 6.605 18.150 0.000) 19.314 21.615 ( 3.677 -1.548 0.000) 3.990 22.790 ( -6.418 -3.431 0.000) 7.278 23.381 ( 7.276 -9.227 0.000) 11.751 23.581 ( -0.601 -9.075 0.000) 9.095 102.793 ( 1.255 1.117 0.000) 1.680 102.861 ( -0.100 0.405 0.000) 0.417 102.897 ( -1.629 3.558 0.000) 3.913 102.950 ( -0.820 1.023 0.000) 1.311 103.105 ( 0.574 -0.465 0.000) 0.739 103.114 ( 1.118 -0.538 0.000) 1.241 103.142 ( 0.743 -0.807 0.000) 1.097 103.272 ( -1.545 -2.440 0.000) 2.888 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 23.273 -0.225 0.000) 23.274 2.126 ( 27.329 -3.372 0.000) 27.536 2.489 ( 1.877 10.178 0.000) 10.350 2.545 ( 3.644 -1.833 0.000) 4.079 2.819 ( -4.433 7.767 0.000) 8.943 2.852 ( 0.779 -1.260 0.000) 1.482 2.901 ( 6.158 -0.699 0.000) 6.197 3.161 ( 4.792 -4.926 0.000) 6.873 3.192 ( 2.336 -2.234 0.000) 3.233 3.441 ( 4.967 1.289 0.000) 5.132 3.568 ( 2.738 13.847 0.000) 14.115 3.756 ( 16.719 -0.260 0.000) 16.721 3.845 ( 9.370 6.495 0.000) 11.401 3.867 ( 5.118 7.714 0.000) 9.258 3.981 ( -6.412 -1.364 0.000) 6.556 4.121 ( -5.359 -6.485 0.000) 8.413 4.219 ( -7.210 15.437 0.000) 17.038 4.582 ( 5.577 13.023 0.000) 14.167 4.609 ( -1.531 -10.192 0.000) 10.306 4.789 ( 8.949 -6.748 0.000) 11.208 5.039 ( 0.077 -0.032 0.000) 0.083 5.224 ( -10.201 0.919 0.000) 10.242 5.320 ( 11.230 14.128 0.000) 18.047 5.557 ( 0.171 13.458 0.000) 13.460 5.616 ( 2.180 3.194 0.000) 3.867 5.682 ( 7.856 -6.927 0.000) 10.474 5.717 ( 12.070 -2.834 0.000) 12.398 5.886 ( -9.885 6.318 0.000) 11.732 6.131 ( 2.983 4.315 0.000) 5.246 6.142 ( 14.323 2.667 0.000) 14.569 6.185 ( 1.835 2.524 0.000) 3.121 6.355 ( -3.033 5.183 0.000) 6.006 6.487 ( -0.217 -11.220 0.000) 11.222 6.567 ( -7.467 -0.593 0.000) 7.490 6.648 ( -1.047 -13.242 0.000) 13.283 6.768 ( -5.005 -4.953 0.000) 7.041 6.985 ( -1.286 3.890 0.000) 4.097 7.035 ( 11.366 -1.151 0.000) 11.424 7.263 ( 2.574 -10.333 0.000) 10.649 7.354 ( -9.955 5.320 0.000) 11.287 7.753 ( -8.356 -7.205 0.000) 11.033 7.872 ( -17.462 -8.332 0.000) 19.348 7.893 ( -9.591 5.160 0.000) 10.891 7.968 ( -3.168 6.456 0.000) 7.191 8.037 ( -2.250 -2.669 0.000) 3.491 8.120 ( -12.762 -6.283 0.000) 14.225 8.245 ( 6.150 -0.054 0.000) 6.150 8.341 ( -4.622 -4.119 0.000) 6.191 8.404 ( -15.549 7.466 0.000) 17.248 8.457 ( 4.128 -4.187 0.000) 5.879 8.647 ( 0.336 -2.432 0.000) 2.455 8.864 ( -4.505 1.489 0.000) 4.745 8.923 ( -4.821 1.695 0.000) 5.110 8.976 ( -4.350 -3.337 0.000) 5.483 8.977 ( -4.820 2.872 0.000) 5.610 9.028 ( -11.048 -1.164 0.000) 11.109 9.144 ( -4.963 -0.053 0.000) 4.963 9.385 ( -7.859 0.411 0.000) 7.870 9.767 ( -8.148 3.222 0.000) 8.762 9.807 ( 4.613 -1.650 0.000) 4.899 9.876 ( -0.247 -3.306 0.000) 3.315 10.149 ( 5.744 6.521 0.000) 8.690 10.353 ( 1.943 -6.900 0.000) 7.169 10.424 ( -4.218 -0.596 0.000) 4.260 10.433 ( 5.967 -3.316 0.000) 6.826 10.490 ( 5.212 -1.655 0.000) 5.468 10.553 ( -1.051 -0.784 0.000) 1.312 10.656 ( 7.509 0.720 0.000) 7.543 10.789 ( -2.929 9.065 0.000) 9.526 10.802 ( 7.318 -1.037 0.000) 7.391 10.973 ( -2.759 1.892 0.000) 3.346 11.119 ( 8.253 -0.776 0.000) 8.290 11.175 ( -4.998 -2.257 0.000) 5.484 11.188 ( 3.643 1.725 0.000) 4.031 11.361 ( -2.824 -3.618 0.000) 4.589 11.558 ( 1.687 8.716 0.000) 8.877 11.712 ( -2.039 -9.438 0.000) 9.656 11.818 ( -4.379 7.789 0.000) 8.936 11.892 ( 14.386 6.096 0.000) 15.624 12.082 ( 5.057 1.193 0.000) 5.195 12.178 ( -2.228 -0.876 0.000) 2.394 12.273 ( 5.746 -1.788 0.000) 6.017 12.332 ( -4.674 1.528 0.000) 4.917 12.349 ( 9.945 1.636 0.000) 10.079 12.380 ( -1.403 -2.490 0.000) 2.858 12.674 ( 0.764 4.423 0.000) 4.489 12.687 ( 0.262 1.900 0.000) 1.918 13.111 ( -10.681 0.537 0.000) 10.695 13.421 ( 7.857 5.447 0.000) 9.560 13.865 ( 7.889 9.712 0.000) 12.512 14.210 ( -7.273 0.472 0.000) 7.288 14.288 ( -7.538 -1.436 0.000) 7.673 14.312 ( 6.564 -2.412 0.000) 6.993 14.552 ( 18.493 -2.688 0.000) 18.688 14.688 ( 8.488 0.045 0.000) 8.488 14.855 ( -10.591 -9.273 0.000) 14.077 15.159 ( -9.200 -1.578 0.000) 9.335 15.214 ( -3.419 -4.483 0.000) 5.638 15.535 ( 23.611 -4.341 0.000) 24.007 16.142 ( 2.735 -1.117 0.000) 2.954 16.211 ( 5.443 -5.826 0.000) 7.973 16.435 ( 0.187 -1.758 0.000) 1.768 16.929 ( -3.234 -12.767 0.000) 13.170 17.127 ( -5.928 -9.644 0.000) 11.320 17.596 ( 5.477 4.663 0.000) 7.193 17.770 ( -2.459 -13.227 0.000) 13.453 17.978 ( -3.633 -7.611 0.000) 8.433 18.013 ( -1.727 -10.585 0.000) 10.725 18.244 ( -0.059 3.645 0.000) 3.645 18.457 ( -2.722 10.931 0.000) 11.265 18.471 ( 1.484 6.039 0.000) 6.219 18.553 ( -4.879 1.445 0.000) 5.088 18.737 ( -5.681 3.336 0.000) 6.588 18.768 ( -6.430 7.153 0.000) 9.618 18.916 ( -7.164 10.709 0.000) 12.884 18.930 ( -6.812 5.988 0.000) 9.070 19.342 ( 0.644 -8.870 0.000) 8.893 19.371 ( 1.989 -2.212 0.000) 2.974 19.722 ( 1.193 -9.124 0.000) 9.201 19.752 ( -4.693 0.913 0.000) 4.781 19.898 ( -3.608 6.878 0.000) 7.767 19.961 ( 1.492 3.859 0.000) 4.137 20.082 ( -8.388 0.696 0.000) 8.416 20.395 ( 0.948 15.682 0.000) 15.710 20.464 ( 2.608 -3.600 0.000) 4.445 20.545 ( -7.189 -4.573 0.000) 8.521 20.596 ( 3.832 -1.247 0.000) 4.030 20.760 ( 5.180 -0.008 0.000) 5.180 20.825 ( -1.399 5.667 0.000) 5.837 20.872 ( -1.745 -0.385 0.000) 1.787 21.248 ( 9.881 0.751 0.000) 9.909 21.341 ( 16.576 13.995 0.000) 21.694 21.654 ( -0.112 -0.628 0.000) 0.638 22.562 ( -15.109 0.424 0.000) 15.115 23.524 ( 5.970 -9.489 0.000) 11.210 23.588 ( 1.443 -8.145 0.000) 8.272 102.822 ( 1.479 1.116 0.000) 1.853 102.860 ( 0.114 0.673 0.000) 0.682 102.873 ( -0.834 2.285 0.000) 2.432 102.929 ( -1.220 1.015 0.000) 1.587 103.122 ( 1.060 -0.633 0.000) 1.234 103.137 ( 0.993 -0.730 0.000) 1.233 103.156 ( 0.551 -0.940 0.000) 1.090 103.233 ( -2.068 -1.780 0.000) 2.729 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 9.975 -2.810 0.000) 10.363 2.441 ( 2.078 -2.404 0.000) 3.178 2.568 ( 5.649 8.218 0.000) 9.973 2.654 ( -0.146 -0.866 0.000) 0.878 2.849 ( 13.171 1.426 0.000) 13.248 2.869 ( 1.850 -4.276 0.000) 4.659 2.938 ( -0.923 -2.925 0.000) 3.067 3.133 ( -7.673 1.190 0.000) 7.765 3.328 ( 8.615 -6.951 0.000) 11.070 3.499 ( -6.867 1.141 0.000) 6.961 3.579 ( 8.617 5.109 0.000) 10.018 3.777 ( -8.866 2.295 0.000) 9.158 3.854 ( -0.845 2.002 0.000) 2.173 3.888 ( -2.947 1.008 0.000) 3.115 4.058 ( 1.186 -2.405 0.000) 2.682 4.109 ( -3.007 7.018 0.000) 7.635 4.251 ( 16.739 17.062 0.000) 23.902 4.509 ( -8.890 11.187 0.000) 14.289 4.705 ( 9.319 11.173 0.000) 14.549 4.961 ( -11.484 5.073 0.000) 12.555 4.977 ( 6.624 -11.040 0.000) 12.874 5.050 ( -2.802 -3.834 0.000) 4.749 5.456 ( 2.491 9.485 0.000) 9.807 5.502 ( -3.030 12.833 0.000) 13.186 5.731 ( 5.821 6.814 0.000) 8.962 5.771 ( -0.085 3.532 0.000) 3.533 5.895 ( 8.860 -9.403 0.000) 12.920 5.941 ( 7.534 -2.444 0.000) 7.920 6.072 ( -3.961 -0.053 0.000) 3.962 6.179 ( -10.122 3.108 0.000) 10.588 6.331 ( 1.264 -1.293 0.000) 1.808 6.365 ( -3.337 0.485 0.000) 3.372 6.492 ( 12.679 -1.588 0.000) 12.778 6.528 ( 11.246 5.042 0.000) 12.324 6.723 ( 3.980 -18.430 0.000) 18.855 6.766 ( 0.491 -17.803 0.000) 17.810 6.904 ( -6.257 6.297 0.000) 8.877 7.009 ( -16.793 0.493 0.000) 16.801 7.346 ( 13.366 -5.684 0.000) 14.524 7.450 ( 9.293 1.847 0.000) 9.475 7.553 ( -7.382 -2.326 0.000) 7.740 7.629 ( -4.024 -1.843 0.000) 4.426 7.739 ( -5.237 -2.553 0.000) 5.826 7.769 ( -11.085 -7.738 0.000) 13.519 7.976 ( -3.535 10.596 0.000) 11.170 8.042 ( 0.880 -1.103 0.000) 1.410 8.122 ( -12.310 0.220 0.000) 12.312 8.128 ( -6.138 1.257 0.000) 6.265 8.448 ( 10.903 1.826 0.000) 11.055 8.574 ( 5.589 -3.127 0.000) 6.404 8.634 ( -2.602 -2.124 0.000) 3.359 8.700 ( -9.991 1.238 0.000) 10.067 8.841 ( -2.728 0.633 0.000) 2.800 8.856 ( -4.794 -1.276 0.000) 4.960 8.923 ( -0.414 -0.449 0.000) 0.611 8.956 ( -1.818 1.920 0.000) 2.644 9.105 ( 3.863 -4.962 0.000) 6.289 9.234 ( -6.915 -1.744 0.000) 7.132 9.659 ( -0.741 0.752 0.000) 1.056 9.723 ( -5.519 -6.862 0.000) 8.806 10.062 ( 10.980 2.398 0.000) 11.238 10.249 ( -1.621 -2.235 0.000) 2.761 10.314 ( -2.049 2.681 0.000) 3.375 10.358 ( -1.562 -5.836 0.000) 6.042 10.531 ( 2.863 -0.148 0.000) 2.867 10.549 ( 0.354 1.112 0.000) 1.167 10.596 ( 5.110 -0.564 0.000) 5.141 10.704 ( -4.948 3.675 0.000) 6.163 10.799 ( 6.082 3.446 0.000) 6.990 10.903 ( -4.078 3.001 0.000) 5.063 10.917 ( 5.000 1.493 0.000) 5.218 11.041 ( -6.858 2.761 0.000) 7.393 11.231 ( 3.230 -0.012 0.000) 3.230 11.300 ( -3.268 -4.655 0.000) 5.687 11.371 ( 12.489 1.133 0.000) 12.540 11.614 ( -9.314 -2.018 0.000) 9.530 11.618 ( 3.648 2.471 0.000) 4.406 11.699 ( -4.596 2.059 0.000) 5.037 12.100 ( 4.282 1.358 0.000) 4.492 12.143 ( -1.383 -1.422 0.000) 1.984 12.170 ( 4.329 1.547 0.000) 4.597 12.246 ( -3.352 2.550 0.000) 4.212 12.358 ( 2.046 -0.377 0.000) 2.080 12.371 ( 0.040 -1.576 0.000) 1.576 12.513 ( 7.972 1.107 0.000) 8.048 12.649 ( -3.773 4.340 0.000) 5.751 12.731 ( 4.318 4.749 0.000) 6.419 12.887 ( -10.283 2.919 0.000) 10.690 13.677 ( 15.012 2.980 0.000) 15.305 13.983 ( -13.530 0.792 0.000) 13.553 14.022 ( 7.118 6.643 0.000) 9.736 14.160 ( -6.066 3.099 0.000) 6.812 14.449 ( 6.600 -3.658 0.000) 7.546 14.604 ( -9.038 -6.942 0.000) 11.397 14.860 ( 7.689 -0.605 0.000) 7.713 14.897 ( 10.585 -4.530 0.000) 11.513 15.034 ( -4.127 1.636 0.000) 4.439 15.119 ( -6.240 -3.506 0.000) 7.158 15.958 ( 16.061 -8.517 0.000) 18.180 16.166 ( -3.320 -8.569 0.000) 9.189 16.301 ( 4.871 -0.003 0.000) 4.871 16.408 ( -3.753 0.323 0.000) 3.767 16.888 ( 1.367 -11.736 0.000) 11.815 16.987 ( -6.840 -10.101 0.000) 12.199 17.715 ( 3.899 -1.517 0.000) 4.184 17.743 ( -0.363 -8.912 0.000) 8.919 17.934 ( 0.380 -9.365 0.000) 9.373 17.976 ( -2.143 -10.227 0.000) 10.450 18.251 ( 1.255 3.928 0.000) 4.123 18.331 ( -6.525 4.922 0.000) 8.173 18.522 ( 3.669 7.684 0.000) 8.515 18.553 ( 2.633 6.422 0.000) 6.940 18.629 ( -6.235 9.943 0.000) 11.737 18.631 ( -4.449 5.347 0.000) 6.955 18.808 ( -2.575 10.112 0.000) 10.434 18.818 ( -3.381 7.864 0.000) 8.560 19.391 ( 3.206 -9.104 0.000) 9.652 19.415 ( 1.435 -6.479 0.000) 6.636 19.654 ( -3.553 -0.874 0.000) 3.659 19.662 ( -4.091 -2.348 0.000) 4.717 19.863 ( 0.654 7.762 0.000) 7.789 19.926 ( -5.323 3.540 0.000) 6.392 20.096 ( 9.093 -3.234 0.000) 9.651 20.309 ( -10.849 -4.945 0.000) 11.923 20.436 ( 2.707 11.956 0.000) 12.258 20.492 ( -2.271 3.955 0.000) 4.561 20.699 ( 5.097 0.627 0.000) 5.135 20.785 ( -2.716 -1.027 0.000) 2.904 20.836 ( 1.471 3.324 0.000) 3.635 20.854 ( -0.040 2.000 0.000) 2.001 21.443 ( 8.503 -0.799 0.000) 8.541 21.580 ( -3.621 -3.088 0.000) 4.759 21.762 ( 19.662 10.427 0.000) 22.256 22.190 ( -20.027 4.516 0.000) 20.529 23.612 ( 2.304 -9.330 0.000) 9.610 23.621 ( 1.095 -8.721 0.000) 8.789 102.848 ( 0.776 1.230 0.000) 1.454 102.859 ( -0.529 1.608 0.000) 1.693 102.871 ( 1.114 0.904 0.000) 1.435 102.901 ( -1.489 0.992 0.000) 1.789 103.147 ( 1.122 -0.867 0.000) 1.418 103.152 ( 0.436 -0.871 0.000) 0.974 103.165 ( 0.494 -1.020 0.000) 1.134 103.191 ( -1.853 -1.325 0.000) 2.278 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 31.712 0.000) 31.712 1.333 ( 0.000 34.275 0.000) 34.275 2.189 ( 0.000 30.696 0.000) 30.696 2.238 ( 0.000 1.271 0.000) 1.271 2.544 ( 0.000 -6.954 0.000) 6.954 2.622 ( 0.000 8.670 0.000) 8.670 2.651 ( 0.000 -21.765 0.000) 21.765 2.851 ( 0.000 -4.956 0.000) 4.956 2.925 ( 0.000 5.306 0.000) 5.306 3.007 ( 0.000 -20.077 0.000) 20.077 3.160 ( 0.000 -12.219 0.000) 12.219 3.310 ( 0.000 1.572 0.000) 1.572 3.731 ( 0.000 22.513 0.000) 22.513 3.742 ( 0.000 6.690 0.000) 6.690 3.984 ( 0.000 -4.035 0.000) 4.035 4.370 ( 0.000 4.471 0.000) 4.471 4.406 ( 0.000 31.739 0.000) 31.739 4.659 ( 0.000 -5.645 0.000) 5.645 4.745 ( 0.000 -7.718 0.000) 7.718 4.766 ( 0.000 9.874 0.000) 9.874 5.147 ( 0.000 12.604 0.000) 12.604 5.161 ( 0.000 7.589 0.000) 7.589 5.270 ( 0.000 23.595 0.000) 23.595 5.520 ( 0.000 0.862 0.000) 0.862 5.565 ( 0.000 -5.830 0.000) 5.830 5.602 ( 0.000 -1.761 0.000) 1.761 5.634 ( 0.000 -6.180 0.000) 6.180 5.655 ( 0.000 -0.778 0.000) 0.778 5.992 ( 0.000 -8.874 0.000) 8.874 6.032 ( 0.000 -0.321 0.000) 0.321 6.213 ( 0.000 -4.035 0.000) 4.035 6.321 ( 0.000 -15.839 0.000) 15.839 6.429 ( 0.000 -25.667 0.000) 25.667 6.805 ( 0.000 -13.615 0.000) 13.615 7.012 ( 0.000 -2.245 0.000) 2.245 7.221 ( 0.000 -16.701 0.000) 16.701 7.271 ( 0.000 3.818 0.000) 3.818 7.531 ( 0.000 1.829 0.000) 1.829 7.548 ( 0.000 19.055 0.000) 19.055 7.696 ( 0.000 21.162 0.000) 21.162 7.737 ( 0.000 10.421 0.000) 10.421 8.013 ( 0.000 4.339 0.000) 4.339 8.037 ( 0.000 -8.404 0.000) 8.404 8.092 ( 0.000 2.277 0.000) 2.277 8.173 ( 0.000 7.215 0.000) 7.215 8.348 ( 0.000 -1.701 0.000) 1.701 8.379 ( 0.000 -11.308 0.000) 11.308 8.423 ( 0.000 -0.923 0.000) 0.923 8.728 ( 0.000 -8.064 0.000) 8.064 8.764 ( 0.000 -12.780 0.000) 12.780 8.802 ( 0.000 3.874 0.000) 3.874 8.968 ( 0.000 -7.420 0.000) 7.420 9.341 ( 0.000 16.199 0.000) 16.199 9.548 ( 0.000 2.617 0.000) 2.617 9.556 ( 0.000 1.748 0.000) 1.748 9.714 ( 0.000 9.805 0.000) 9.805 9.770 ( 0.000 -4.668 0.000) 4.668 9.792 ( 0.000 -4.582 0.000) 4.582 9.808 ( 0.000 9.626 0.000) 9.626 9.849 ( 0.000 -1.570 0.000) 1.570 9.882 ( 0.000 -1.135 0.000) 1.135 9.968 ( 0.000 -9.074 0.000) 9.074 10.018 ( 0.000 -7.002 0.000) 7.002 10.147 ( 0.000 4.272 0.000) 4.272 10.255 ( 0.000 7.761 0.000) 7.761 10.295 ( 0.000 3.694 0.000) 3.694 10.346 ( 0.000 -0.743 0.000) 0.743 10.658 ( 0.000 -0.624 0.000) 0.624 10.785 ( 0.000 -5.404 0.000) 5.404 10.840 ( 0.000 -2.846 0.000) 2.846 10.885 ( 0.000 -10.142 0.000) 10.142 10.904 ( 0.000 -9.628 0.000) 9.628 11.052 ( 0.000 5.222 0.000) 5.222 11.093 ( 0.000 2.335 0.000) 2.335 11.203 ( 0.000 -0.295 0.000) 0.295 11.453 ( 0.000 -9.559 0.000) 9.559 11.453 ( 0.000 11.001 0.000) 11.001 11.488 ( 0.000 2.446 0.000) 2.446 11.733 ( 0.000 0.072 0.000) 0.072 11.836 ( 0.000 1.631 0.000) 1.631 12.055 ( 0.000 6.824 0.000) 6.824 12.092 ( 0.000 8.942 0.000) 8.942 12.268 ( 0.000 8.615 0.000) 8.615 12.495 ( 0.000 -0.656 0.000) 0.656 12.577 ( 0.000 -6.746 0.000) 6.746 12.585 ( 0.000 -3.105 0.000) 3.105 12.592 ( 0.000 -9.084 0.000) 9.084 12.976 ( 0.000 -12.777 0.000) 12.777 13.707 ( 0.000 6.208 0.000) 6.208 13.761 ( 0.000 17.252 0.000) 17.252 14.018 ( 0.000 1.472 0.000) 1.472 14.051 ( 0.000 10.525 0.000) 10.525 14.334 ( 0.000 1.200 0.000) 1.200 14.369 ( 0.000 3.678 0.000) 3.678 14.509 ( 0.000 0.029 0.000) 0.029 14.711 ( 0.000 -9.086 0.000) 9.086 14.753 ( 0.000 3.142 0.000) 3.142 15.441 ( 0.000 -8.336 0.000) 8.336 15.533 ( 0.000 -13.441 0.000) 13.441 15.697 ( 0.000 -26.685 0.000) 26.685 16.270 ( 0.000 6.962 0.000) 6.962 16.489 ( 0.000 -5.989 0.000) 5.989 16.522 ( 0.000 -5.706 0.000) 5.706 16.594 ( 0.000 -0.209 0.000) 0.209 17.759 ( 0.000 8.037 0.000) 8.037 17.796 ( 0.000 -7.021 0.000) 7.021 18.019 ( 0.000 -7.673 0.000) 7.673 18.175 ( 0.000 2.337 0.000) 2.337 18.340 ( 0.000 4.303 0.000) 4.303 18.407 ( 0.000 -4.715 0.000) 4.715 18.771 ( 0.000 4.854 0.000) 4.854 18.814 ( 0.000 7.546 0.000) 7.546 18.934 ( 0.000 -6.117 0.000) 6.117 18.993 ( 0.000 -1.275 0.000) 1.275 19.076 ( 0.000 1.082 0.000) 1.082 19.158 ( 0.000 -0.126 0.000) 0.126 19.439 ( 0.000 1.717 0.000) 1.717 19.456 ( 0.000 1.004 0.000) 1.004 19.495 ( 0.000 -1.837 0.000) 1.837 19.617 ( 0.000 -3.648 0.000) 3.648 19.993 ( 0.000 12.871 0.000) 12.871 20.175 ( 0.000 7.287 0.000) 7.287 20.237 ( 0.000 5.010 0.000) 5.010 20.310 ( 0.000 3.786 0.000) 3.786 20.452 ( 0.000 -4.523 0.000) 4.523 20.483 ( 0.000 0.851 0.000) 0.851 20.741 ( 0.000 -6.272 0.000) 6.272 20.825 ( 0.000 -7.931 0.000) 7.931 20.957 ( 0.000 2.841 0.000) 2.841 21.056 ( 0.000 0.082 0.000) 0.082 21.142 ( 0.000 4.026 0.000) 4.026 21.338 ( 0.000 12.515 0.000) 12.515 21.500 ( 0.000 15.065 0.000) 15.065 22.689 ( 0.000 7.102 0.000) 7.102 22.944 ( 0.000 -16.785 0.000) 16.785 23.323 ( 0.000 -10.698 0.000) 10.698 102.794 ( 0.000 1.780 0.000) 1.780 102.865 ( 0.000 -0.149 0.000) 0.149 102.988 ( 0.000 1.344 0.000) 1.344 103.059 ( 0.000 -0.883 0.000) 0.883 103.088 ( 0.000 -0.442 0.000) 0.442 103.106 ( 0.000 -0.804 0.000) 0.804 103.122 ( 0.000 0.998 0.000) 0.998 103.197 ( 0.000 -1.334 0.000) 1.334 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 14.688 24.272 0.000) 28.370 1.370 ( 7.329 27.533 0.000) 28.492 2.286 ( 3.806 -3.571 0.000) 5.218 2.501 ( 0.498 -2.576 0.000) 2.624 2.558 ( 28.297 31.349 0.000) 42.232 2.714 ( 9.448 1.174 0.000) 9.520 2.754 ( 3.815 -21.898 0.000) 22.228 2.912 ( -0.167 2.831 0.000) 2.836 2.970 ( 10.152 0.566 0.000) 10.168 3.164 ( 12.372 -16.363 0.000) 20.514 3.214 ( 5.502 -11.010 0.000) 12.308 3.261 ( -3.083 2.116 0.000) 3.739 3.704 ( -1.862 17.281 0.000) 17.381 3.798 ( 5.318 4.639 0.000) 7.057 4.034 ( 3.493 -4.439 0.000) 5.648 4.255 ( -8.856 27.862 0.000) 29.236 4.333 ( -4.214 3.269 0.000) 5.333 4.544 ( -6.066 -3.699 0.000) 7.104 4.844 ( 5.056 -8.697 0.000) 10.060 4.877 ( 6.097 16.744 0.000) 17.819 5.090 ( -3.263 18.814 0.000) 19.095 5.260 ( 8.327 6.024 0.000) 10.277 5.391 ( 9.258 14.321 0.000) 17.053 5.498 ( -6.312 -1.052 0.000) 6.399 5.515 ( 2.467 -1.337 0.000) 2.806 5.570 ( -1.615 -1.870 0.000) 2.471 5.638 ( 0.668 -4.151 0.000) 4.204 5.732 ( 3.519 -3.847 0.000) 5.214 6.050 ( 4.001 -8.609 0.000) 9.493 6.060 ( 3.220 -1.027 0.000) 3.380 6.106 ( -3.305 -6.921 0.000) 7.669 6.427 ( -4.233 -3.895 0.000) 5.752 6.485 ( 4.671 -23.362 0.000) 23.824 6.509 ( -13.100 -4.725 0.000) 13.926 6.957 ( -5.293 -2.629 0.000) 5.910 7.074 ( -13.134 -7.221 0.000) 14.988 7.169 ( -9.096 4.484 0.000) 10.141 7.430 ( -9.207 2.947 0.000) 9.667 7.465 ( -7.565 19.556 0.000) 20.968 7.688 ( -1.208 11.854 0.000) 11.915 7.837 ( 8.112 7.164 0.000) 10.823 7.946 ( -5.225 6.235 0.000) 8.135 8.074 ( 2.047 -9.095 0.000) 9.322 8.132 ( 2.542 -0.852 0.000) 2.681 8.152 ( -2.132 4.375 0.000) 4.867 8.222 ( -5.876 -0.513 0.000) 5.898 8.361 ( -5.672 -2.024 0.000) 6.023 8.463 ( 0.040 -11.599 0.000) 11.599 8.526 ( -10.708 -10.637 0.000) 15.093 8.662 ( -10.775 -9.963 0.000) 14.675 8.757 ( -4.086 2.791 0.000) 4.948 8.967 ( -0.401 -6.725 0.000) 6.737 9.319 ( -3.015 12.647 0.000) 13.001 9.392 ( -11.124 4.479 0.000) 11.992 9.448 ( -18.790 3.351 0.000) 19.087 9.485 ( -6.989 0.842 0.000) 7.040 9.619 ( -7.033 11.693 0.000) 13.645 9.717 ( -5.304 -1.319 0.000) 5.466 9.870 ( 1.767 -1.380 0.000) 2.242 9.938 ( 3.744 -1.400 0.000) 3.997 9.972 ( 0.365 0.710 0.000) 0.798 10.043 ( 4.732 -8.614 0.000) 9.829 10.115 ( 7.195 5.320 0.000) 8.948 10.169 ( 4.032 0.392 0.000) 4.051 10.207 ( -1.484 1.567 0.000) 2.158 10.360 ( 6.173 0.658 0.000) 6.208 10.437 ( 1.378 1.320 0.000) 1.908 10.510 ( -7.971 2.424 0.000) 8.331 10.788 ( -6.982 -6.942 0.000) 9.846 10.838 ( 6.100 -6.989 0.000) 9.277 10.862 ( 3.260 -5.875 0.000) 6.719 10.901 ( -0.553 -8.881 0.000) 8.898 11.013 ( -3.266 3.894 0.000) 5.082 11.045 ( 0.224 0.761 0.000) 0.793 11.330 ( 6.969 -6.531 0.000) 9.550 11.538 ( 5.404 -1.663 0.000) 5.654 11.540 ( 8.315 8.049 0.000) 11.573 11.657 ( 12.769 2.044 0.000) 12.931 11.821 ( 7.420 1.852 0.000) 7.648 11.898 ( 4.436 4.663 0.000) 6.436 12.030 ( -0.589 9.747 0.000) 9.765 12.044 ( -0.642 9.628 0.000) 9.650 12.325 ( 1.834 6.595 0.000) 6.845 12.441 ( -2.055 0.044 0.000) 2.056 12.470 ( -5.751 -7.275 0.000) 9.274 12.617 ( 2.005 -7.425 0.000) 7.691 12.640 ( 0.115 -2.706 0.000) 2.709 13.095 ( 8.490 -13.414 0.000) 15.875 13.630 ( -3.947 9.981 0.000) 10.733 13.885 ( 7.260 16.580 0.000) 18.100 14.041 ( 0.882 10.045 0.000) 10.084 14.042 ( 2.459 -0.827 0.000) 2.595 14.359 ( -1.114 -4.058 0.000) 4.208 14.418 ( 4.407 2.539 0.000) 5.086 14.487 ( -0.862 -1.087 0.000) 1.387 14.714 ( 2.353 -4.943 0.000) 5.474 14.810 ( 4.709 0.674 0.000) 4.757 15.309 ( -6.959 -4.900 0.000) 8.511 15.567 ( -11.319 -21.675 0.000) 24.452 15.649 ( 6.897 -14.061 0.000) 15.661 16.246 ( -1.436 6.904 0.000) 7.051 16.418 ( -2.857 -3.321 0.000) 4.381 16.618 ( 4.930 -9.393 0.000) 10.608 16.739 ( 9.343 -11.017 0.000) 14.446 17.743 ( -1.329 8.989 0.000) 9.087 17.777 ( -2.000 -5.527 0.000) 5.878 17.961 ( -4.509 -6.764 0.000) 8.129 18.125 ( -4.357 2.403 0.000) 4.975 18.333 ( -0.535 3.056 0.000) 3.103 18.415 ( 0.695 -4.652 0.000) 4.704 18.739 ( -1.555 9.264 0.000) 9.393 18.814 ( -1.675 -0.754 0.000) 1.837 18.844 ( -5.810 -3.212 0.000) 6.639 19.008 ( -4.804 2.014 0.000) 5.209 19.076 ( 5.276 -2.863 0.000) 6.003 19.172 ( 0.600 -1.390 0.000) 1.514 19.417 ( -1.710 2.589 0.000) 3.103 19.470 ( 0.948 0.940 0.000) 1.335 19.485 ( -4.640 1.143 0.000) 4.779 19.677 ( 7.418 -4.285 0.000) 8.566 20.020 ( 2.169 11.324 0.000) 11.530 20.200 ( -1.061 5.054 0.000) 5.165 20.262 ( 3.533 4.338 0.000) 5.594 20.281 ( -1.418 2.392 0.000) 2.780 20.482 ( 2.038 -3.855 0.000) 4.361 20.493 ( 1.003 1.698 0.000) 1.972 20.727 ( -7.954 -5.361 0.000) 9.592 20.751 ( 1.089 -1.551 0.000) 1.895 20.922 ( -3.987 2.910 0.000) 4.936 21.014 ( -0.029 3.269 0.000) 3.269 21.109 ( -3.129 4.755 0.000) 5.692 21.350 ( 1.105 8.373 0.000) 8.446 21.569 ( 5.720 16.240 0.000) 17.218 22.755 ( 3.559 2.417 0.000) 4.302 22.994 ( 4.558 -17.068 0.000) 17.666 23.343 ( 1.362 -12.167 0.000) 12.243 102.802 ( 0.672 1.755 0.000) 1.879 102.866 ( 0.116 -0.005 0.000) 0.116 102.984 ( -0.426 1.419 0.000) 1.481 103.033 ( -2.819 1.733 0.000) 3.309 103.089 ( 0.112 -0.439 0.000) 0.453 103.094 ( -0.379 0.669 0.000) 0.769 103.111 ( 0.407 -0.951 0.000) 1.035 103.220 ( 0.718 -2.899 0.000) 2.986 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 20.107 12.827 0.000) 23.850 1.673 ( 20.091 13.513 0.000) 24.213 2.368 ( 3.981 -7.467 0.000) 8.461 2.580 ( 6.004 4.057 0.000) 7.246 2.794 ( 0.470 -13.555 0.000) 13.563 2.844 ( 7.062 8.300 0.000) 10.897 2.922 ( 1.930 1.517 0.000) 2.455 3.084 ( -2.991 5.417 0.000) 6.188 3.160 ( 6.733 1.596 0.000) 6.920 3.325 ( 29.373 6.249 0.000) 30.030 3.376 ( 7.453 -0.429 0.000) 7.465 3.496 ( 13.476 -4.292 0.000) 14.143 3.734 ( 7.402 0.162 0.000) 7.404 3.916 ( 4.317 -0.911 0.000) 4.412 4.022 ( -3.258 7.338 0.000) 8.029 4.169 ( -11.229 -6.390 0.000) 12.919 4.246 ( 8.484 13.350 0.000) 15.818 4.461 ( -1.733 1.683 0.000) 2.416 4.913 ( -2.037 23.496 0.000) 23.584 4.939 ( 4.708 -4.181 0.000) 6.297 5.073 ( -1.893 15.948 0.000) 16.060 5.380 ( -0.558 3.783 0.000) 3.824 5.416 ( 1.181 2.889 0.000) 3.121 5.527 ( 2.069 2.712 0.000) 3.411 5.543 ( 1.988 4.508 0.000) 4.927 5.624 ( 3.444 2.269 0.000) 4.124 5.703 ( 9.975 -6.678 0.000) 12.005 5.793 ( 2.603 0.727 0.000) 2.703 6.016 ( -5.904 -1.224 0.000) 6.029 6.089 ( -2.176 -5.826 0.000) 6.219 6.156 ( 4.707 -1.595 0.000) 4.970 6.230 ( 9.199 -2.158 0.000) 9.448 6.567 ( 0.422 -12.834 0.000) 12.841 6.587 ( 3.026 -5.064 0.000) 5.899 6.743 ( -16.217 2.315 0.000) 16.382 6.813 ( -7.195 -6.124 0.000) 9.448 6.958 ( -8.460 3.661 0.000) 9.218 7.210 ( -10.470 3.679 0.000) 11.098 7.273 ( -9.574 14.755 0.000) 17.589 7.611 ( -6.736 5.156 0.000) 8.483 7.834 ( -5.235 6.958 0.000) 8.708 7.966 ( -8.125 -10.602 0.000) 13.358 8.026 ( 2.730 0.045 0.000) 2.730 8.063 ( -6.393 -3.221 0.000) 7.159 8.149 ( -4.328 -4.008 0.000) 5.899 8.187 ( 0.027 3.378 0.000) 3.378 8.245 ( -10.722 -11.794 0.000) 15.940 8.248 ( -1.586 -1.789 0.000) 2.390 8.353 ( -7.616 -5.253 0.000) 9.252 8.596 ( 1.917 -9.507 0.000) 9.698 8.662 ( -3.958 1.253 0.000) 4.151 8.918 ( -5.626 -7.401 0.000) 9.297 9.118 ( -11.168 3.582 0.000) 11.728 9.123 ( -13.945 4.638 0.000) 14.696 9.205 ( -6.870 6.200 0.000) 9.254 9.271 ( -12.882 -0.590 0.000) 12.895 9.464 ( -8.546 13.989 0.000) 16.393 9.586 ( -8.468 -0.023 0.000) 8.468 9.806 ( -6.952 -3.935 0.000) 7.988 9.888 ( -2.912 6.155 0.000) 6.809 9.974 ( -1.626 7.246 0.000) 7.426 10.137 ( 6.332 -5.823 0.000) 8.602 10.193 ( 1.348 2.633 0.000) 2.958 10.286 ( 6.081 -0.209 0.000) 6.085 10.348 ( 8.161 -2.255 0.000) 8.467 10.424 ( 0.806 -2.990 0.000) 3.096 10.450 ( 3.619 -1.582 0.000) 3.950 10.534 ( 8.654 -3.097 0.000) 9.191 10.658 ( -5.617 2.555 0.000) 6.171 10.914 ( 4.143 -4.805 0.000) 6.345 10.914 ( 2.267 -13.524 0.000) 13.713 10.953 ( -2.223 -5.034 0.000) 5.503 11.034 ( 9.057 -6.006 0.000) 10.868 11.077 ( 0.791 8.217 0.000) 8.255 11.447 ( 4.291 -5.783 0.000) 7.201 11.565 ( -3.274 1.070 0.000) 3.444 11.750 ( 8.189 7.807 0.000) 11.314 11.812 ( 3.525 8.431 0.000) 9.139 11.986 ( 7.949 2.159 0.000) 8.237 12.047 ( 0.125 10.984 0.000) 10.985 12.100 ( 12.293 0.393 0.000) 12.300 12.129 ( 9.762 6.059 0.000) 11.490 12.243 ( -6.179 0.080 0.000) 6.180 12.384 ( -1.393 -2.026 0.000) 2.459 12.485 ( 0.758 5.940 0.000) 5.989 12.631 ( 1.465 -2.525 0.000) 2.920 12.646 ( 1.392 -5.146 0.000) 5.331 13.194 ( -0.529 -9.159 0.000) 9.174 13.560 ( -2.161 11.634 0.000) 11.833 14.021 ( 5.554 18.993 0.000) 19.788 14.125 ( 5.558 -3.915 0.000) 6.798 14.163 ( 11.067 3.417 0.000) 11.582 14.302 ( -2.764 -1.443 0.000) 3.118 14.411 ( -6.122 -4.106 0.000) 7.371 14.537 ( 6.798 1.230 0.000) 6.908 14.736 ( -2.663 -14.295 0.000) 14.541 15.031 ( 15.919 1.414 0.000) 15.981 15.196 ( -4.111 -3.624 0.000) 5.480 15.313 ( -10.394 -9.129 0.000) 13.834 15.801 ( 7.464 -15.397 0.000) 17.110 16.223 ( -0.668 5.950 0.000) 5.987 16.384 ( -0.518 -2.127 0.000) 2.189 16.691 ( 1.534 -12.009 0.000) 12.107 16.863 ( 2.008 -17.818 0.000) 17.931 17.713 ( -3.603 -1.882 0.000) 4.065 17.717 ( -0.802 10.216 0.000) 10.248 17.880 ( -2.712 -7.062 0.000) 7.565 18.020 ( -5.293 1.370 0.000) 5.468 18.317 ( -0.975 2.069 0.000) 2.287 18.436 ( 1.366 -4.705 0.000) 4.900 18.686 ( -7.933 -2.710 0.000) 8.383 18.707 ( -1.715 9.976 0.000) 10.122 18.794 ( -0.912 -3.370 0.000) 3.491 18.907 ( -4.758 3.124 0.000) 5.692 19.154 ( 1.050 0.544 0.000) 1.182 19.176 ( -0.057 -4.158 0.000) 4.158 19.335 ( -8.527 7.909 0.000) 11.630 19.380 ( -1.402 2.718 0.000) 3.058 19.496 ( 1.773 -2.768 0.000) 3.287 19.792 ( 0.707 -5.575 0.000) 5.619 20.061 ( 1.329 9.205 0.000) 9.301 20.132 ( -4.585 5.224 0.000) 6.951 20.256 ( -5.355 0.419 0.000) 5.371 20.307 ( 4.360 0.474 0.000) 4.386 20.519 ( 1.694 -3.109 0.000) 3.541 20.561 ( -6.814 -4.500 0.000) 8.165 20.567 ( 5.990 5.117 0.000) 7.878 20.782 ( 1.321 9.795 0.000) 9.884 20.853 ( -1.500 -2.416 0.000) 2.844 21.026 ( -4.193 6.847 0.000) 8.029 21.092 ( 6.667 1.550 0.000) 6.845 21.394 ( 3.262 3.682 0.000) 4.919 21.698 ( 6.306 17.975 0.000) 19.049 22.761 ( -3.504 1.570 0.000) 3.840 23.117 ( 6.803 -17.667 0.000) 18.932 23.359 ( 0.285 -13.040 0.000) 13.043 102.822 ( 1.220 1.691 0.000) 2.085 102.869 ( 0.242 0.378 0.000) 0.449 102.964 ( -1.785 2.639 0.000) 3.186 102.981 ( -1.479 2.245 0.000) 2.689 103.094 ( 0.426 -0.542 0.000) 0.689 103.102 ( 0.772 -0.532 0.000) 0.938 103.121 ( 0.531 -1.225 0.000) 1.335 103.215 ( -0.998 -3.171 0.000) 3.324 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 17.748 4.633 0.000) 18.343 2.110 ( 19.583 2.114 0.000) 19.696 2.460 ( 5.396 -6.296 0.000) 8.292 2.693 ( 4.294 4.140 0.000) 5.965 2.774 ( -2.472 -4.435 0.000) 5.078 2.918 ( -0.884 3.744 0.000) 3.847 3.000 ( -1.818 7.579 0.000) 7.794 3.023 ( 8.269 0.982 0.000) 8.327 3.251 ( 1.597 3.056 0.000) 3.448 3.511 ( 7.483 3.964 0.000) 8.468 3.641 ( -1.432 -1.643 0.000) 2.179 3.751 ( 6.896 -0.387 0.000) 6.907 3.891 ( -7.220 -10.756 0.000) 12.955 3.957 ( -0.357 0.556 0.000) 0.661 3.995 ( 7.432 -1.960 0.000) 7.686 4.110 ( 13.181 6.282 0.000) 14.601 4.462 ( 9.392 12.959 0.000) 16.005 4.479 ( 3.793 -0.340 0.000) 3.809 4.847 ( -3.473 20.615 0.000) 20.906 4.964 ( -2.633 18.011 0.000) 18.203 5.050 ( 5.508 0.194 0.000) 5.512 5.304 ( -8.046 7.064 0.000) 10.707 5.512 ( 7.935 0.713 0.000) 7.967 5.555 ( 1.523 -3.413 0.000) 3.737 5.585 ( 0.329 -1.183 0.000) 1.228 5.727 ( 7.218 3.918 0.000) 8.213 5.826 ( 5.354 9.590 0.000) 10.983 5.983 ( 9.479 -4.304 0.000) 10.411 6.099 ( 8.875 -15.353 0.000) 17.733 6.126 ( 3.032 -4.825 0.000) 5.699 6.136 ( -4.969 1.413 0.000) 5.166 6.394 ( 2.389 4.226 0.000) 4.855 6.443 ( -7.286 1.835 0.000) 7.514 6.521 ( -4.736 -3.580 0.000) 5.937 6.527 ( -3.058 5.407 0.000) 6.212 6.702 ( -6.383 -3.778 0.000) 7.417 6.968 ( 8.247 -2.971 0.000) 8.766 7.054 ( -3.203 1.030 0.000) 3.365 7.142 ( -2.166 3.382 0.000) 4.016 7.439 ( -8.175 -0.400 0.000) 8.185 7.642 ( -16.489 -14.485 0.000) 21.947 7.691 ( -9.536 5.666 0.000) 11.092 7.882 ( -15.249 -12.077 0.000) 19.452 7.914 ( -6.816 -3.758 0.000) 7.783 8.029 ( -4.551 0.828 0.000) 4.626 8.163 ( 0.478 5.652 0.000) 5.672 8.212 ( -4.604 -7.515 0.000) 8.813 8.270 ( 8.148 3.423 0.000) 8.838 8.335 ( 0.285 -5.685 0.000) 5.692 8.570 ( -4.621 6.469 0.000) 7.950 8.631 ( 0.433 -0.501 0.000) 0.663 8.771 ( -5.182 -7.413 0.000) 9.045 8.909 ( -4.300 -2.967 0.000) 5.224 8.969 ( -5.808 2.521 0.000) 6.331 9.004 ( -11.278 -0.695 0.000) 11.299 9.082 ( -4.321 4.674 0.000) 6.365 9.250 ( -11.557 11.042 0.000) 15.984 9.373 ( -10.203 -1.695 0.000) 10.343 9.640 ( -7.322 -10.142 0.000) 12.509 9.847 ( -9.790 4.359 0.000) 10.716 9.955 ( 7.051 6.207 0.000) 9.394 10.213 ( 0.434 -1.491 0.000) 1.553 10.255 ( 4.487 -2.494 0.000) 5.133 10.398 ( 5.114 -0.423 0.000) 5.132 10.450 ( 0.903 4.742 0.000) 4.827 10.461 ( 5.310 -1.144 0.000) 5.432 10.562 ( -2.548 0.652 0.000) 2.630 10.621 ( 9.657 -3.686 0.000) 10.337 10.728 ( 7.838 -5.605 0.000) 9.636 10.886 ( -4.359 -0.257 0.000) 4.367 10.972 ( 1.697 -14.000 0.000) 14.102 11.035 ( -5.032 3.468 0.000) 6.112 11.060 ( 10.461 -3.388 0.000) 10.996 11.195 ( 6.227 -1.447 0.000) 6.393 11.449 ( -5.936 6.881 0.000) 9.088 11.509 ( 1.141 -6.991 0.000) 7.083 11.760 ( -1.160 9.766 0.000) 9.835 11.974 ( -6.183 5.405 0.000) 8.213 11.994 ( 7.609 2.602 0.000) 8.041 12.114 ( 4.181 2.475 0.000) 4.859 12.130 ( -4.551 -2.505 0.000) 5.195 12.265 ( 9.330 0.474 0.000) 9.342 12.403 ( -1.828 7.203 0.000) 7.431 12.406 ( 9.798 4.746 0.000) 10.887 12.428 ( -0.137 6.087 0.000) 6.088 12.698 ( 3.826 -1.288 0.000) 4.037 12.700 ( 2.276 -1.674 0.000) 2.825 13.100 ( -7.166 -2.633 0.000) 7.634 13.584 ( 5.316 11.063 0.000) 12.274 14.114 ( 3.598 11.322 0.000) 11.880 14.211 ( -8.155 -0.693 0.000) 8.185 14.259 ( 6.635 0.024 0.000) 6.635 14.280 ( -1.531 1.228 0.000) 1.962 14.444 ( 8.381 -8.530 0.000) 11.959 14.647 ( -1.578 -10.057 0.000) 10.180 14.689 ( 7.470 -0.382 0.000) 7.479 15.128 ( -2.704 -2.546 0.000) 3.714 15.146 ( -3.212 0.644 0.000) 3.276 15.423 ( 17.363 -6.721 0.000) 18.619 15.930 ( 4.034 -16.520 0.000) 17.005 16.229 ( 1.644 3.948 0.000) 4.277 16.393 ( 1.120 -1.943 0.000) 2.243 16.673 ( -2.906 -12.160 0.000) 12.503 16.834 ( -4.253 -17.549 0.000) 18.057 17.661 ( -0.836 0.184 0.000) 0.856 17.724 ( 1.503 8.013 0.000) 8.153 17.845 ( -0.925 -6.537 0.000) 6.602 17.913 ( -5.022 0.215 0.000) 5.027 18.300 ( -0.498 1.605 0.000) 1.681 18.472 ( 2.045 -4.240 0.000) 4.708 18.521 ( -7.664 -0.801 0.000) 7.706 18.665 ( -2.545 1.580 0.000) 2.996 18.779 ( -0.640 4.397 0.000) 4.443 18.816 ( -3.696 4.824 0.000) 6.078 19.116 ( -3.698 7.545 0.000) 8.402 19.156 ( -5.438 1.351 0.000) 5.604 19.195 ( -0.340 4.248 0.000) 4.262 19.358 ( -1.009 0.816 0.000) 1.298 19.540 ( 1.845 -8.669 0.000) 8.863 19.718 ( -5.926 -4.210 0.000) 7.270 20.043 ( -2.803 6.939 0.000) 7.484 20.046 ( -3.019 3.932 0.000) 4.957 20.107 ( -6.924 1.461 0.000) 7.077 20.365 ( -3.864 -5.877 0.000) 7.033 20.489 ( 2.641 0.019 0.000) 2.641 20.589 ( 5.314 -0.679 0.000) 5.357 20.667 ( 2.279 8.880 0.000) 9.168 20.781 ( -0.624 2.632 0.000) 2.705 20.878 ( 2.794 2.960 0.000) 4.071 20.964 ( -1.549 8.508 0.000) 8.648 21.253 ( 8.062 -0.732 0.000) 8.095 21.469 ( 3.084 -3.755 0.000) 4.859 21.840 ( 8.087 21.882 0.000) 23.328 22.610 ( -10.646 5.362 0.000) 11.920 23.254 ( 5.931 -17.975 0.000) 18.929 23.368 ( 0.696 -13.938 0.000) 13.955 102.850 ( 1.504 1.644 0.000) 2.228 102.877 ( 0.486 0.883 0.000) 1.008 102.927 ( -1.569 2.930 0.000) 3.324 102.955 ( -1.276 1.583 0.000) 2.033 103.107 ( 0.777 -0.821 0.000) 1.131 103.119 ( 0.746 -1.004 0.000) 1.251 103.131 ( 0.426 -1.442 0.000) 1.504 103.188 ( -1.516 -2.704 0.000) 3.100 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 8.693 -0.558 0.000) 8.711 2.372 ( 4.598 -2.892 0.000) 5.432 2.601 ( 6.252 -5.905 0.000) 8.599 2.694 ( -4.118 -5.917 0.000) 7.209 2.791 ( 5.019 6.415 0.000) 8.145 2.876 ( -2.258 3.995 0.000) 4.589 3.010 ( 4.325 7.431 0.000) 8.598 3.170 ( -5.034 4.762 0.000) 6.929 3.264 ( 9.100 -1.473 0.000) 9.218 3.494 ( -10.444 -0.984 0.000) 10.490 3.668 ( 5.605 0.411 0.000) 5.620 3.762 ( -3.670 -4.082 0.000) 5.489 3.791 ( 2.893 -4.010 0.000) 4.945 3.912 ( -4.824 4.652 0.000) 6.701 4.157 ( 5.748 7.734 0.000) 9.636 4.238 ( -1.398 5.322 0.000) 5.503 4.586 ( 4.432 -1.924 0.000) 4.832 4.603 ( 3.341 8.224 0.000) 8.877 4.916 ( 9.438 13.805 0.000) 16.723 5.003 ( 5.897 17.033 0.000) 18.025 5.096 ( -5.009 6.944 0.000) 8.562 5.138 ( -5.727 10.735 0.000) 12.167 5.575 ( -0.233 -7.307 0.000) 7.311 5.589 ( -0.093 -6.783 0.000) 6.784 5.621 ( 4.729 -2.194 0.000) 5.213 5.781 ( -11.350 7.753 0.000) 13.746 5.910 ( 9.223 3.735 0.000) 9.950 6.005 ( 7.838 0.382 0.000) 7.847 6.121 ( -3.639 -0.275 0.000) 3.650 6.212 ( -8.388 -1.262 0.000) 8.482 6.261 ( 2.677 -4.318 0.000) 5.080 6.332 ( 2.628 -16.734 0.000) 16.939 6.348 ( 5.117 -3.369 0.000) 6.127 6.484 ( -7.695 7.467 0.000) 10.722 6.621 ( 8.573 -0.683 0.000) 8.600 6.693 ( 12.649 13.007 0.000) 18.143 6.945 ( -8.749 -2.346 0.000) 9.058 7.047 ( -10.511 5.837 0.000) 12.023 7.190 ( 8.620 -7.967 0.000) 11.738 7.340 ( -3.513 -13.802 0.000) 14.242 7.494 ( -4.640 1.533 0.000) 4.887 7.495 ( 5.601 -12.933 0.000) 14.093 7.610 ( -8.370 -7.553 0.000) 11.274 7.761 ( -9.941 -0.572 0.000) 9.957 7.997 ( 1.988 -2.990 0.000) 3.591 8.114 ( -1.376 0.450 0.000) 1.448 8.143 ( -4.529 1.361 0.000) 4.730 8.159 ( -9.374 5.192 0.000) 10.716 8.513 ( 9.744 1.186 0.000) 9.816 8.568 ( 5.915 7.738 0.000) 9.740 8.602 ( -2.686 -1.290 0.000) 2.980 8.751 ( -0.954 -4.022 0.000) 4.134 8.816 ( -8.144 4.584 0.000) 9.346 8.818 ( -4.361 -3.709 0.000) 5.725 8.925 ( 2.199 1.658 0.000) 2.754 9.010 ( -5.459 4.477 0.000) 7.060 9.084 ( 0.684 2.007 0.000) 2.120 9.191 ( -7.431 -2.729 0.000) 7.916 9.551 ( -0.281 -10.643 0.000) 10.647 9.641 ( -8.372 -3.609 0.000) 9.116 10.114 ( 7.021 2.935 0.000) 7.610 10.205 ( -1.672 -0.972 0.000) 1.934 10.322 ( 2.490 1.930 0.000) 3.150 10.393 ( -4.491 5.424 0.000) 7.042 10.528 ( 7.063 0.049 0.000) 7.064 10.567 ( 4.814 -2.511 0.000) 5.430 10.576 ( 1.156 0.868 0.000) 1.445 10.742 ( -9.512 -0.267 0.000) 9.516 10.793 ( 6.454 -3.523 0.000) 7.353 10.863 ( 5.860 -6.093 0.000) 8.453 10.908 ( -5.653 -2.460 0.000) 6.165 10.962 ( -2.970 -9.625 0.000) 10.072 11.288 ( 4.143 1.635 0.000) 4.454 11.308 ( 10.569 -1.528 0.000) 10.678 11.351 ( -3.387 6.942 0.000) 7.724 11.481 ( -4.624 -4.871 0.000) 6.716 11.759 ( 1.529 8.268 0.000) 8.408 11.838 ( -5.933 6.416 0.000) 8.739 12.053 ( -0.033 -4.291 0.000) 4.291 12.063 ( -1.671 -4.629 0.000) 4.921 12.221 ( 5.308 3.526 0.000) 6.373 12.314 ( -4.166 4.619 0.000) 6.221 12.469 ( 7.619 7.648 0.000) 10.796 12.478 ( 2.092 9.847 0.000) 10.066 12.515 ( 3.680 0.895 0.000) 3.788 12.666 ( -5.708 -1.611 0.000) 5.931 12.801 ( 5.956 1.775 0.000) 6.214 12.941 ( -7.471 1.431 0.000) 7.607 13.771 ( 11.465 6.751 0.000) 13.305 14.009 ( -10.835 2.143 0.000) 11.045 14.180 ( 2.978 6.459 0.000) 7.113 14.240 ( -2.640 3.966 0.000) 4.764 14.374 ( 4.191 -1.435 0.000) 4.430 14.443 ( -2.999 -7.570 0.000) 8.142 14.776 ( 7.283 -7.556 0.000) 10.494 14.817 ( 3.545 -4.833 0.000) 5.994 15.082 ( -1.348 2.123 0.000) 2.515 15.095 ( -2.085 5.054 0.000) 5.467 15.747 ( 12.834 -12.707 0.000) 18.060 15.931 ( -4.488 -15.386 0.000) 16.027 16.301 ( 4.984 0.385 0.000) 4.999 16.394 ( -2.427 -1.534 0.000) 2.871 16.629 ( 0.889 -12.734 0.000) 12.765 16.717 ( -6.099 -15.180 0.000) 16.360 17.684 ( 2.732 1.453 0.000) 3.095 17.743 ( -1.361 3.689 0.000) 3.932 17.833 ( -1.459 -1.533 0.000) 2.116 17.834 ( -0.391 -4.561 0.000) 4.577 18.307 ( 1.617 1.767 0.000) 2.395 18.381 ( -5.476 1.101 0.000) 5.586 18.523 ( 3.026 -4.501 0.000) 5.424 18.597 ( -3.812 -4.499 0.000) 5.896 18.769 ( -0.763 8.375 0.000) 8.410 18.770 ( -0.327 10.748 0.000) 10.753 19.046 ( -2.048 10.190 0.000) 10.394 19.055 ( -2.948 10.655 0.000) 11.056 19.244 ( 3.919 -4.595 0.000) 6.040 19.324 ( -2.817 -2.476 0.000) 3.750 19.556 ( 0.369 -7.886 0.000) 7.895 19.602 ( -4.382 -4.708 0.000) 6.431 19.987 ( -1.808 4.913 0.000) 5.235 19.987 ( -2.083 2.758 0.000) 3.457 20.074 ( 3.950 0.121 0.000) 3.952 20.213 ( -8.322 -4.521 0.000) 9.471 20.579 ( 4.387 4.444 0.000) 6.244 20.655 ( -2.652 8.497 0.000) 8.901 20.703 ( 4.699 -0.284 0.000) 4.708 20.767 ( -1.435 -0.772 0.000) 1.630 20.929 ( 1.777 6.850 0.000) 7.076 20.949 ( -0.391 8.339 0.000) 8.348 21.403 ( 5.995 -3.643 0.000) 7.015 21.487 ( -1.725 -6.412 0.000) 6.640 22.058 ( 12.790 19.410 0.000) 23.245 22.345 ( -14.102 11.865 0.000) 18.430 23.349 ( 2.979 -17.413 0.000) 17.666 23.379 ( -0.113 -15.837 0.000) 15.838 102.879 ( 1.071 1.805 0.000) 2.099 102.894 ( 1.317 1.294 0.000) 1.847 102.900 ( -1.088 2.335 0.000) 2.576 102.926 ( -1.562 1.453 0.000) 2.134 103.125 ( 0.858 -1.237 0.000) 1.506 103.130 ( 0.307 -1.285 0.000) 1.321 103.138 ( 0.347 -1.562 0.000) 1.600 103.157 ( -1.346 -2.036 0.000) 2.441 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 31.458 0.000) 31.458 1.967 ( 0.000 30.366 0.000) 30.366 2.245 ( 0.000 -21.648 0.000) 21.648 2.280 ( 0.000 3.803 0.000) 3.803 2.326 ( 0.000 -4.443 0.000) 4.443 2.451 ( 0.000 -0.668 0.000) 0.668 2.554 ( 0.000 -25.299 0.000) 25.299 2.597 ( 0.000 -15.893 0.000) 15.893 3.010 ( 0.000 19.216 0.000) 19.216 3.014 ( 0.000 3.254 0.000) 3.254 3.051 ( 0.000 -1.280 0.000) 1.280 3.254 ( 0.000 -7.004 0.000) 7.004 3.839 ( 0.000 4.185 0.000) 4.185 3.913 ( 0.000 -3.493 0.000) 3.493 4.154 ( 0.000 18.787 0.000) 18.787 4.379 ( 0.000 -3.983 0.000) 3.983 4.572 ( 0.000 -2.446 0.000) 2.446 4.603 ( 0.000 -5.881 0.000) 5.881 5.010 ( 0.000 13.582 0.000) 13.582 5.028 ( 0.000 23.929 0.000) 23.929 5.353 ( 0.000 -5.676 0.000) 5.676 5.362 ( 0.000 10.113 0.000) 10.113 5.389 ( 0.000 6.003 0.000) 6.003 5.487 ( 0.000 -3.373 0.000) 3.373 5.563 ( 0.000 0.141 0.000) 0.141 5.566 ( 0.000 2.972 0.000) 2.972 5.659 ( 0.000 4.573 0.000) 4.573 5.842 ( 0.000 13.360 0.000) 13.360 5.855 ( 0.000 -6.857 0.000) 6.857 5.943 ( 0.000 -7.159 0.000) 7.159 5.982 ( 0.000 -15.999 0.000) 15.999 6.032 ( 0.000 -12.452 0.000) 12.452 6.132 ( 0.000 4.016 0.000) 4.016 6.462 ( 0.000 -20.583 0.000) 20.583 6.982 ( 0.000 -0.802 0.000) 0.802 7.010 ( 0.000 -5.014 0.000) 5.014 7.339 ( 0.000 3.885 0.000) 3.885 7.450 ( 0.000 -6.970 0.000) 6.970 7.853 ( 0.000 11.450 0.000) 11.450 7.942 ( 0.000 1.315 0.000) 1.315 7.968 ( 0.000 1.917 0.000) 1.917 8.018 ( 0.000 12.437 0.000) 12.437 8.118 ( 0.000 5.844 0.000) 5.844 8.121 ( 0.000 -9.636 0.000) 9.636 8.142 ( 0.000 5.527 0.000) 5.527 8.261 ( 0.000 2.093 0.000) 2.093 8.301 ( 0.000 -8.023 0.000) 8.023 8.363 ( 0.000 -5.497 0.000) 5.497 8.575 ( 0.000 -3.226 0.000) 3.226 8.612 ( 0.000 -4.379 0.000) 4.379 8.850 ( 0.000 1.073 0.000) 1.073 8.870 ( 0.000 -2.254 0.000) 2.254 9.555 ( 0.000 -0.631 0.000) 0.631 9.558 ( 0.000 -0.852 0.000) 0.852 9.640 ( 0.000 13.842 0.000) 13.842 9.741 ( 0.000 0.505 0.000) 0.505 9.750 ( 0.000 -0.662 0.000) 0.662 9.809 ( 0.000 1.311 0.000) 1.311 9.828 ( 0.000 -0.510 0.000) 0.510 9.845 ( 0.000 -2.850 0.000) 2.850 9.847 ( 0.000 -1.745 0.000) 1.745 9.864 ( 0.000 -8.094 0.000) 8.094 10.109 ( 0.000 17.319 0.000) 17.319 10.236 ( 0.000 4.389 0.000) 4.389 10.309 ( 0.000 -2.985 0.000) 2.985 10.381 ( 0.000 -1.270 0.000) 1.270 10.413 ( 0.000 7.998 0.000) 7.998 10.576 ( 0.000 -7.741 0.000) 7.741 10.589 ( 0.000 -8.808 0.000) 8.808 10.692 ( 0.000 -10.358 0.000) 10.358 10.736 ( 0.000 0.778 0.000) 0.778 10.779 ( 0.000 -3.084 0.000) 3.084 11.015 ( 0.000 2.754 0.000) 2.754 11.176 ( 0.000 -10.911 0.000) 10.911 11.326 ( 0.000 8.140 0.000) 8.140 11.356 ( 0.000 3.353 0.000) 3.353 11.537 ( 0.000 2.333 0.000) 2.333 11.561 ( 0.000 0.725 0.000) 0.725 11.773 ( 0.000 3.690 0.000) 3.690 11.834 ( 0.000 -1.901 0.000) 1.901 12.215 ( 0.000 7.724 0.000) 7.724 12.279 ( 0.000 9.453 0.000) 9.453 12.313 ( 0.000 -3.326 0.000) 3.326 12.412 ( 0.000 -1.667 0.000) 1.667 12.443 ( 0.000 -7.385 0.000) 7.385 12.463 ( 0.000 -4.025 0.000) 4.025 12.633 ( 0.000 4.115 0.000) 4.115 12.753 ( 0.000 -9.234 0.000) 9.234 13.824 ( 0.000 5.393 0.000) 5.393 13.900 ( 0.000 -1.660 0.000) 1.660 14.206 ( 0.000 14.773 0.000) 14.773 14.221 ( 0.000 6.713 0.000) 6.713 14.312 ( 0.000 -2.915 0.000) 2.915 14.394 ( 0.000 -3.124 0.000) 3.124 14.513 ( 0.000 0.318 0.000) 0.318 14.559 ( 0.000 -5.373 0.000) 5.373 14.906 ( 0.000 12.713 0.000) 12.713 15.232 ( 0.000 -20.555 0.000) 20.555 15.302 ( 0.000 -4.784 0.000) 4.784 15.315 ( 0.000 -7.003 0.000) 7.003 16.405 ( 0.000 -1.986 0.000) 1.986 16.408 ( 0.000 7.106 0.000) 7.106 16.423 ( 0.000 -3.615 0.000) 3.615 16.535 ( 0.000 -5.425 0.000) 5.425 17.758 ( 0.000 2.646 0.000) 2.646 17.866 ( 0.000 -7.520 0.000) 7.520 17.953 ( 0.000 11.038 0.000) 11.038 18.148 ( 0.000 -7.400 0.000) 7.400 18.353 ( 0.000 1.202 0.000) 1.202 18.382 ( 0.000 -0.180 0.000) 0.180 18.817 ( 0.000 0.880 0.000) 0.880 18.843 ( 0.000 -2.435 0.000) 2.435 18.933 ( 0.000 3.803 0.000) 3.803 18.975 ( 0.000 -0.983 0.000) 0.983 19.100 ( 0.000 1.402 0.000) 1.402 19.132 ( 0.000 -1.799 0.000) 1.799 19.464 ( 0.000 0.726 0.000) 0.726 19.468 ( 0.000 0.248 0.000) 0.248 19.500 ( 0.000 1.655 0.000) 1.655 19.548 ( 0.000 -3.187 0.000) 3.187 20.226 ( 0.000 9.212 0.000) 9.212 20.300 ( 0.000 4.329 0.000) 4.329 20.316 ( 0.000 2.341 0.000) 2.341 20.356 ( 0.000 -5.362 0.000) 5.362 20.427 ( 0.000 9.207 0.000) 9.207 20.517 ( 0.000 3.235 0.000) 3.235 20.616 ( 0.000 -6.359 0.000) 6.359 20.639 ( 0.000 -10.984 0.000) 10.984 21.008 ( 0.000 2.208 0.000) 2.208 21.042 ( 0.000 -1.337 0.000) 1.337 21.229 ( 0.000 4.723 0.000) 4.723 21.319 ( 0.000 -4.333 0.000) 4.333 22.031 ( 0.000 28.826 0.000) 28.826 22.547 ( 0.000 -23.828 0.000) 23.828 22.864 ( 0.000 10.740 0.000) 10.740 23.093 ( 0.000 -12.367 0.000) 12.367 102.829 ( 0.000 1.659 0.000) 1.659 102.855 ( 0.000 -0.914 0.000) 0.914 103.015 ( 0.000 1.362 0.000) 1.362 103.039 ( 0.000 -1.129 0.000) 1.129 103.084 ( 0.000 0.064 0.000) 0.064 103.091 ( 0.000 -0.644 0.000) 0.644 103.143 ( 0.000 1.246 0.000) 1.246 103.170 ( 0.000 -1.428 0.000) 1.428 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 5.408 27.023 0.000) 27.559 1.871 ( -2.016 22.294 0.000) 22.385 2.179 ( -2.920 -9.103 0.000) 9.560 2.278 ( 2.280 -25.161 0.000) 25.264 2.539 ( 10.245 7.110 0.000) 12.470 2.676 ( 22.394 2.417 0.000) 22.524 2.775 ( 13.279 -14.797 0.000) 19.882 2.838 ( 18.962 -13.815 0.000) 23.461 3.034 ( 2.915 3.944 0.000) 4.904 3.068 ( 7.229 14.798 0.000) 16.470 3.086 ( 3.257 -2.141 0.000) 3.898 3.242 ( 0.607 -4.315 0.000) 4.357 3.881 ( 3.285 4.175 0.000) 5.312 3.957 ( 3.152 -3.698 0.000) 4.859 4.043 ( -9.906 15.848 0.000) 18.689 4.280 ( -10.658 -8.080 0.000) 13.375 4.561 ( 1.966 4.185 0.000) 4.624 4.677 ( 5.873 -7.673 0.000) 9.662 4.808 ( -7.713 26.076 0.000) 27.193 5.152 ( 2.304 -1.420 0.000) 2.706 5.366 ( -0.530 9.498 0.000) 9.513 5.429 ( 5.244 9.507 0.000) 10.858 5.484 ( 7.587 8.194 0.000) 11.167 5.523 ( 3.847 0.705 0.000) 3.911 5.537 ( -7.135 -1.373 0.000) 7.266 5.566 ( 0.401 1.226 0.000) 1.290 5.593 ( 1.638 -0.702 0.000) 1.782 5.803 ( -4.268 -14.624 0.000) 15.234 5.875 ( 0.266 16.954 0.000) 16.956 5.973 ( 3.319 -5.653 0.000) 6.555 6.056 ( 6.365 -16.784 0.000) 17.950 6.064 ( 6.712 2.546 0.000) 7.178 6.266 ( 8.304 -10.059 0.000) 13.044 6.332 ( -10.453 -12.798 0.000) 16.525 6.925 ( -5.484 -0.817 0.000) 5.544 6.945 ( -6.144 -3.539 0.000) 7.091 7.270 ( -6.426 6.583 0.000) 9.199 7.401 ( -4.885 -5.320 0.000) 7.223 7.813 ( -5.023 14.477 0.000) 15.324 7.927 ( -5.316 8.905 0.000) 10.371 7.939 ( -2.189 -1.815 0.000) 2.844 7.999 ( -2.229 1.096 0.000) 2.484 8.023 ( -4.087 -2.147 0.000) 4.617 8.085 ( -7.615 -2.953 0.000) 8.168 8.118 ( 1.089 -0.521 0.000) 1.207 8.213 ( -4.369 4.212 0.000) 6.069 8.303 ( -0.126 -10.801 0.000) 10.801 8.311 ( -4.021 -3.366 0.000) 5.244 8.414 ( -10.463 3.058 0.000) 10.900 8.505 ( -9.916 -5.909 0.000) 11.543 8.802 ( -4.234 1.975 0.000) 4.672 8.856 ( -1.955 -4.247 0.000) 4.676 9.459 ( -8.353 2.396 0.000) 8.690 9.486 ( -12.418 4.065 0.000) 13.066 9.487 ( -7.497 -0.628 0.000) 7.523 9.501 ( -16.195 1.842 0.000) 16.299 9.700 ( -3.885 0.682 0.000) 3.944 9.767 ( 0.075 -5.896 0.000) 5.897 9.861 ( 1.136 11.792 0.000) 11.847 9.936 ( 7.636 -0.155 0.000) 7.638 9.947 ( 7.962 -1.681 0.000) 8.137 10.001 ( 5.167 -0.719 0.000) 5.216 10.204 ( -1.207 2.260 0.000) 2.563 10.225 ( 7.378 6.716 0.000) 9.977 10.234 ( -3.566 -0.171 0.000) 3.570 10.356 ( -4.584 -2.801 0.000) 5.372 10.490 ( 0.703 6.019 0.000) 6.060 10.590 ( -9.148 2.418 0.000) 9.462 10.594 ( 1.017 -5.829 0.000) 5.917 10.685 ( -0.630 -11.456 0.000) 11.473 10.687 ( 8.984 -5.636 0.000) 10.605 10.747 ( 0.986 -6.121 0.000) 6.200 10.979 ( -2.983 2.377 0.000) 3.814 11.088 ( -1.985 -6.123 0.000) 6.436 11.379 ( 4.908 9.653 0.000) 10.829 11.516 ( 7.518 -2.941 0.000) 8.073 11.633 ( 8.998 2.848 0.000) 9.438 11.671 ( 9.713 -0.873 0.000) 9.753 11.874 ( 7.777 3.013 0.000) 8.340 11.917 ( 6.729 -1.137 0.000) 6.825 12.234 ( 0.401 7.635 0.000) 7.646 12.269 ( -0.139 11.376 0.000) 11.377 12.343 ( 1.223 -2.936 0.000) 3.181 12.364 ( -4.039 0.297 0.000) 4.050 12.448 ( 2.702 -0.657 0.000) 2.781 12.463 ( 1.558 -8.665 0.000) 8.804 12.664 ( 1.440 4.587 0.000) 4.808 12.833 ( 6.253 -12.608 0.000) 14.074 13.811 ( -0.808 8.317 0.000) 8.357 13.942 ( 2.950 -4.983 0.000) 5.790 14.208 ( -0.521 6.667 0.000) 6.688 14.257 ( 4.616 14.900 0.000) 15.599 14.292 ( -1.460 -2.837 0.000) 3.191 14.435 ( 3.712 -2.814 0.000) 4.658 14.466 ( -4.132 -0.046 0.000) 4.132 14.541 ( -2.124 -8.072 0.000) 8.347 14.950 ( 4.242 10.528 0.000) 11.351 15.202 ( -2.230 -15.616 0.000) 15.775 15.250 ( -2.432 0.845 0.000) 2.574 15.382 ( 3.964 -11.875 0.000) 12.519 16.387 ( -0.630 0.713 0.000) 0.952 16.390 ( -1.370 7.897 0.000) 8.015 16.457 ( 2.022 -6.427 0.000) 6.738 16.553 ( 1.209 -8.833 0.000) 8.916 17.747 ( -1.033 2.077 0.000) 2.320 17.833 ( -2.825 -6.098 0.000) 6.721 17.947 ( -0.626 11.065 0.000) 11.083 18.127 ( -2.367 -5.326 0.000) 5.829 18.331 ( -1.226 -0.014 0.000) 1.226 18.362 ( -1.706 -1.229 0.000) 2.103 18.772 ( -4.440 -0.256 0.000) 4.447 18.794 ( -4.016 -2.187 0.000) 4.574 18.914 ( -0.683 6.580 0.000) 6.615 19.014 ( 3.130 -3.832 0.000) 4.948 19.054 ( -3.534 2.696 0.000) 4.444 19.114 ( -1.773 -3.412 0.000) 3.845 19.460 ( -0.373 1.737 0.000) 1.776 19.480 ( 0.415 -0.173 0.000) 0.450 19.533 ( 0.990 3.025 0.000) 3.183 19.598 ( 4.681 -3.722 0.000) 5.981 20.234 ( 0.881 8.603 0.000) 8.648 20.285 ( -1.912 3.234 0.000) 3.757 20.314 ( -0.862 0.522 0.000) 1.008 20.322 ( -2.102 -0.080 0.000) 2.103 20.441 ( 0.733 2.424 0.000) 2.533 20.556 ( 3.895 4.968 0.000) 6.313 20.582 ( -4.959 -8.852 0.000) 10.146 20.667 ( 4.325 -5.752 0.000) 7.197 20.991 ( -1.327 3.461 0.000) 3.706 21.038 ( 0.359 -0.874 0.000) 0.945 21.210 ( -1.658 5.530 0.000) 5.773 21.316 ( -0.118 -5.051 0.000) 5.053 22.077 ( 4.214 28.304 0.000) 28.616 22.592 ( 4.117 -23.998 0.000) 24.348 22.877 ( 0.732 9.510 0.000) 9.538 23.099 ( 0.308 -12.577 0.000) 12.581 102.835 ( 0.589 1.587 0.000) 1.693 102.859 ( 0.390 -0.774 0.000) 0.867 103.012 ( -0.302 1.406 0.000) 1.438 103.035 ( -0.494 -0.857 0.000) 0.989 103.085 ( 0.101 0.089 0.000) 0.134 103.093 ( 0.195 -0.747 0.000) 0.772 103.124 ( -1.247 2.126 0.000) 2.465 103.169 ( -0.348 -2.444 0.000) 2.469 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 11.242 18.953 0.000) 22.036 1.956 ( 9.401 14.296 0.000) 17.110 2.198 ( 4.260 -10.351 0.000) 11.194 2.350 ( 4.656 -21.536 0.000) 22.033 2.799 ( 12.019 11.383 0.000) 16.554 2.960 ( 5.385 5.363 0.000) 7.600 2.972 ( 4.650 -2.034 0.000) 5.075 3.068 ( 2.179 -4.845 0.000) 5.313 3.185 ( 7.873 0.772 0.000) 7.911 3.252 ( 16.438 -8.175 0.000) 18.359 3.405 ( 20.693 1.948 0.000) 20.785 3.441 ( 17.289 -1.774 0.000) 17.379 3.813 ( -9.824 7.608 0.000) 12.426 3.940 ( 2.102 2.754 0.000) 3.465 3.990 ( -15.185 -9.996 0.000) 18.179 4.000 ( 0.912 -3.207 0.000) 3.334 4.624 ( 3.051 11.764 0.000) 12.153 4.743 ( 1.596 28.162 0.000) 28.207 4.832 ( 7.960 -8.195 0.000) 11.425 5.194 ( 0.145 -13.211 0.000) 13.212 5.335 ( -0.103 14.576 0.000) 14.577 5.367 ( -3.901 3.733 0.000) 5.400 5.516 ( 0.712 6.808 0.000) 6.845 5.590 ( 2.049 2.328 0.000) 3.101 5.613 ( 3.764 -1.354 0.000) 4.000 5.648 ( -8.442 3.306 0.000) 9.067 5.654 ( 6.801 -0.894 0.000) 6.860 5.690 ( 7.286 -3.203 0.000) 7.959 5.945 ( 4.406 -0.207 0.000) 4.411 6.047 ( -9.360 -5.696 0.000) 10.957 6.079 ( 6.275 -2.232 0.000) 6.660 6.220 ( 8.465 -16.052 0.000) 18.148 6.287 ( 10.682 7.495 0.000) 13.049 6.463 ( 9.381 -8.826 0.000) 12.880 6.759 ( -10.321 0.213 0.000) 10.323 6.772 ( -9.572 -0.754 0.000) 9.602 7.097 ( -9.177 10.562 0.000) 13.992 7.249 ( -9.020 -1.551 0.000) 9.152 7.592 ( -14.117 15.397 0.000) 20.889 7.747 ( -13.424 4.692 0.000) 14.220 7.753 ( -15.122 -5.237 0.000) 16.003 7.877 ( -11.398 -14.168 0.000) 18.184 7.925 ( -4.720 -4.965 0.000) 6.850 7.980 ( -1.843 -2.799 0.000) 3.351 8.089 ( -7.096 4.980 0.000) 8.669 8.193 ( 5.838 6.306 0.000) 8.593 8.217 ( -4.962 -3.522 0.000) 6.085 8.262 ( -1.719 1.727 0.000) 2.437 8.290 ( -3.111 -0.456 0.000) 3.144 8.399 ( 3.948 -9.663 0.000) 10.439 8.690 ( -5.921 1.840 0.000) 6.200 8.769 ( -6.378 -6.686 0.000) 9.240 9.200 ( -10.724 4.451 0.000) 11.611 9.216 ( -13.987 3.846 0.000) 14.506 9.258 ( -9.423 -0.665 0.000) 9.446 9.258 ( -13.240 -0.915 0.000) 13.272 9.591 ( -8.754 1.975 0.000) 8.974 9.683 ( -9.613 -6.707 0.000) 11.722 9.782 ( -8.898 17.709 0.000) 19.818 9.999 ( 0.314 3.998 0.000) 4.011 10.063 ( 5.643 -2.796 0.000) 6.298 10.095 ( -4.348 -11.998 0.000) 12.762 10.180 ( -2.430 11.852 0.000) 12.098 10.296 ( 8.589 0.561 0.000) 8.608 10.312 ( 10.596 -1.228 0.000) 10.667 10.370 ( 5.490 -4.298 0.000) 6.972 10.453 ( -1.441 2.870 0.000) 3.211 10.509 ( 1.511 -1.227 0.000) 1.946 10.648 ( 3.271 -7.776 0.000) 8.436 10.650 ( -1.870 -4.496 0.000) 4.869 10.845 ( 7.698 -0.934 0.000) 7.755 10.905 ( 10.726 -6.182 0.000) 12.380 10.939 ( -1.308 4.796 0.000) 4.971 11.085 ( -0.808 -7.632 0.000) 7.675 11.462 ( 2.557 8.431 0.000) 8.810 11.594 ( 0.234 -2.483 0.000) 2.494 11.853 ( 9.070 3.323 0.000) 9.659 11.886 ( 8.290 0.235 0.000) 8.293 12.029 ( 7.577 2.180 0.000) 7.885 12.069 ( 7.283 -1.969 0.000) 7.544 12.158 ( -6.148 2.429 0.000) 6.610 12.226 ( -7.171 -3.182 0.000) 7.845 12.326 ( 6.867 10.920 0.000) 12.900 12.474 ( 7.464 8.255 0.000) 11.129 12.514 ( 3.990 -8.280 0.000) 9.191 12.554 ( 5.871 -0.980 0.000) 5.953 12.658 ( -1.771 9.968 0.000) 10.124 12.948 ( 3.644 -15.757 0.000) 16.173 13.799 ( -0.043 12.069 0.000) 12.069 14.001 ( 2.676 -8.297 0.000) 8.718 14.232 ( 2.903 3.340 0.000) 4.425 14.279 ( 0.277 -1.182 0.000) 1.214 14.359 ( -5.209 0.303 0.000) 5.218 14.371 ( 5.630 13.947 0.000) 15.040 14.472 ( -3.599 -10.841 0.000) 11.423 14.534 ( 5.360 -3.125 0.000) 6.204 15.081 ( 8.010 3.743 0.000) 8.842 15.173 ( 0.249 -5.753 0.000) 5.758 15.212 ( -1.013 7.336 0.000) 7.405 15.473 ( 4.636 -17.143 0.000) 17.759 16.361 ( -1.373 8.478 0.000) 8.589 16.384 ( 0.184 2.552 0.000) 2.558 16.489 ( 0.763 -8.230 0.000) 8.265 16.564 ( -0.454 -12.753 0.000) 12.761 17.717 ( -1.605 1.724 0.000) 2.356 17.774 ( -2.238 -4.076 0.000) 4.650 17.923 ( -1.751 9.994 0.000) 10.147 18.046 ( -5.026 -1.246 0.000) 5.178 18.322 ( -0.798 -1.175 0.000) 1.420 18.333 ( 0.494 -3.659 0.000) 3.693 18.654 ( -6.431 0.046 0.000) 6.431 18.693 ( -5.347 -3.621 0.000) 6.458 18.927 ( 1.765 9.539 0.000) 9.701 18.977 ( -3.645 3.997 0.000) 5.409 19.066 ( -2.402 -5.344 0.000) 5.859 19.087 ( 3.543 -6.485 0.000) 7.389 19.436 ( -1.988 2.570 0.000) 3.249 19.470 ( -1.451 -0.967 0.000) 1.744 19.509 ( -3.333 8.456 0.000) 9.089 19.662 ( -0.069 -7.391 0.000) 7.391 20.212 ( -4.886 3.006 0.000) 5.737 20.235 ( -1.791 7.690 0.000) 7.896 20.251 ( -5.288 -1.018 0.000) 5.385 20.318 ( 1.196 -0.519 0.000) 1.304 20.459 ( 0.384 -1.993 0.000) 2.030 20.479 ( -1.494 -3.609 0.000) 3.906 20.659 ( 5.143 4.907 0.000) 7.108 20.758 ( 3.293 -4.954 0.000) 5.949 20.982 ( 1.250 7.820 0.000) 7.919 21.086 ( 4.392 -2.685 0.000) 5.147 21.171 ( -1.768 7.881 0.000) 8.077 21.320 ( 0.535 -7.020 0.000) 7.040 22.191 ( 6.393 27.697 0.000) 28.425 22.705 ( 6.347 -24.378 0.000) 25.191 22.868 ( -2.090 9.234 0.000) 9.468 23.096 ( -0.690 -13.425 0.000) 13.443 102.853 ( 1.081 1.384 0.000) 1.756 102.871 ( 0.719 -0.380 0.000) 0.813 103.001 ( -0.864 1.444 0.000) 1.683 103.015 ( -1.450 0.424 0.000) 1.510 103.089 ( 0.272 0.063 0.000) 0.279 103.099 ( 0.306 -0.935 0.000) 0.984 103.107 ( -0.307 1.493 0.000) 1.524 103.154 ( -0.924 -2.983 0.000) 3.122 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 10.947 10.774 0.000) 15.360 2.195 ( 11.575 6.005 0.000) 13.040 2.325 ( 7.259 -7.112 0.000) 10.162 2.448 ( 4.038 -15.149 0.000) 15.678 2.963 ( 3.885 10.633 0.000) 11.320 3.011 ( 0.406 5.302 0.000) 5.317 3.074 ( 6.258 -0.028 0.000) 6.258 3.080 ( 0.179 -0.283 0.000) 0.334 3.330 ( 2.283 7.232 0.000) 7.584 3.523 ( 4.678 -7.263 0.000) 8.639 3.629 ( 0.230 1.909 0.000) 1.923 3.705 ( 3.011 -4.347 0.000) 5.288 3.714 ( -1.656 -0.607 0.000) 1.763 3.846 ( 11.044 -10.670 0.000) 15.356 3.994 ( 3.743 3.073 0.000) 4.843 4.071 ( 7.604 -4.666 0.000) 8.921 4.667 ( 1.274 16.488 0.000) 16.537 4.811 ( 2.202 19.859 0.000) 19.981 4.966 ( 4.439 -10.968 0.000) 11.833 5.161 ( -1.514 -10.475 0.000) 10.584 5.300 ( 1.324 20.476 0.000) 20.519 5.420 ( -1.290 11.031 0.000) 11.106 5.468 ( -4.115 8.585 0.000) 9.520 5.560 ( 2.603 -5.114 0.000) 5.738 5.573 ( -2.184 -1.699 0.000) 2.767 5.738 ( 0.873 -17.814 0.000) 17.835 5.772 ( 8.800 1.826 0.000) 8.988 5.844 ( 11.371 -6.196 0.000) 12.949 5.987 ( 4.603 5.081 0.000) 6.856 6.052 ( 4.385 -2.526 0.000) 5.061 6.159 ( -2.243 2.578 0.000) 3.417 6.301 ( -4.580 -10.958 0.000) 11.876 6.537 ( 11.871 8.046 0.000) 14.341 6.559 ( -5.475 4.068 0.000) 6.821 6.630 ( -0.940 -3.433 0.000) 3.560 6.640 ( 6.605 0.208 0.000) 6.608 6.960 ( -1.668 4.690 0.000) 4.978 7.084 ( -5.068 -0.586 0.000) 5.101 7.318 ( -10.957 10.453 0.000) 15.143 7.398 ( -16.927 -3.920 0.000) 17.375 7.441 ( -14.264 -0.825 0.000) 14.287 7.596 ( -12.931 -16.320 0.000) 20.822 7.780 ( -11.109 2.370 0.000) 11.359 7.918 ( -8.764 -9.841 0.000) 13.178 7.963 ( -0.554 9.866 0.000) 9.882 8.123 ( -3.154 -4.427 0.000) 5.436 8.230 ( -0.896 1.778 0.000) 1.991 8.260 ( -0.972 -2.032 0.000) 2.252 8.392 ( 10.780 8.380 0.000) 13.654 8.559 ( 9.413 -7.187 0.000) 11.843 8.602 ( -1.518 -1.423 0.000) 2.080 8.635 ( -5.101 -5.123 0.000) 7.229 8.929 ( -12.387 4.522 0.000) 13.187 8.995 ( -10.227 -1.295 0.000) 10.308 9.043 ( -5.268 4.721 0.000) 7.074 9.113 ( -4.835 -1.514 0.000) 5.067 9.355 ( -11.752 1.458 0.000) 11.842 9.457 ( -10.007 -8.219 0.000) 12.950 9.527 ( -14.571 16.123 0.000) 21.732 9.811 ( -16.151 -10.547 0.000) 19.289 10.076 ( 5.954 6.272 0.000) 8.648 10.194 ( 6.587 -5.155 0.000) 8.365 10.250 ( 2.730 8.937 0.000) 9.345 10.441 ( 4.028 4.269 0.000) 5.870 10.465 ( 2.485 -8.768 0.000) 9.114 10.470 ( 4.014 2.437 0.000) 4.696 10.541 ( 9.766 -3.414 0.000) 10.346 10.603 ( -1.237 5.936 0.000) 6.063 10.606 ( 6.580 -6.755 0.000) 9.430 10.735 ( 3.715 -8.565 0.000) 9.336 10.881 ( -4.709 2.628 0.000) 5.392 10.995 ( -7.873 -6.951 0.000) 10.502 11.047 ( 11.441 2.400 0.000) 11.690 11.128 ( 10.561 -4.814 0.000) 11.607 11.483 ( -0.470 5.337 0.000) 5.358 11.561 ( -2.725 0.088 0.000) 2.727 11.905 ( -1.175 5.345 0.000) 5.472 11.983 ( 0.663 -2.785 0.000) 2.863 12.025 ( -6.071 2.211 0.000) 6.461 12.082 ( -6.319 -2.900 0.000) 6.953 12.188 ( 6.949 4.365 0.000) 8.206 12.254 ( 10.115 -1.990 0.000) 10.309 12.522 ( 9.706 6.421 0.000) 11.638 12.524 ( -3.162 4.685 0.000) 5.652 12.592 ( -1.103 0.457 0.000) 1.194 12.635 ( 7.256 -4.843 0.000) 8.724 12.706 ( 4.756 11.270 0.000) 12.233 12.969 ( -1.348 -11.238 0.000) 11.319 13.829 ( 3.329 13.203 0.000) 13.616 14.059 ( 3.018 -9.632 0.000) 10.094 14.202 ( -6.008 0.579 0.000) 6.036 14.259 ( -2.354 -5.317 0.000) 5.815 14.364 ( 4.297 4.063 0.000) 5.914 14.467 ( 3.270 12.024 0.000) 12.461 14.482 ( 5.615 -7.339 0.000) 9.241 14.637 ( 3.986 -5.663 0.000) 6.925 15.190 ( 2.826 3.852 0.000) 4.777 15.214 ( 1.157 12.775 0.000) 12.827 15.291 ( 9.847 -6.365 0.000) 11.725 15.562 ( 3.446 -20.299 0.000) 20.589 16.336 ( -0.895 7.351 0.000) 7.405 16.387 ( 0.021 1.980 0.000) 1.980 16.479 ( -1.744 -7.479 0.000) 7.680 16.530 ( -2.748 -12.894 0.000) 13.183 17.698 ( 0.272 2.611 0.000) 2.625 17.753 ( 0.235 -3.317 0.000) 3.325 17.877 ( -2.507 6.562 0.000) 7.025 17.937 ( -5.261 0.467 0.000) 5.282 18.313 ( 0.339 0.592 0.000) 0.682 18.366 ( 2.037 -5.155 0.000) 5.543 18.520 ( -6.197 1.279 0.000) 6.328 18.582 ( -5.153 -5.003 0.000) 7.183 18.919 ( -1.371 5.658 0.000) 5.822 18.973 ( 2.143 10.968 0.000) 11.175 19.035 ( -0.119 -6.302 0.000) 6.303 19.145 ( 1.554 -5.084 0.000) 5.316 19.384 ( -2.736 1.546 0.000) 3.142 19.412 ( -5.329 10.498 0.000) 11.773 19.421 ( -2.965 -3.044 0.000) 4.249 19.594 ( -5.474 -8.184 0.000) 9.846 20.104 ( -4.848 2.062 0.000) 5.268 20.124 ( -5.537 0.034 0.000) 5.537 20.160 ( -4.862 5.280 0.000) 7.177 20.259 ( -5.796 -5.117 0.000) 7.732 20.520 ( 6.242 2.450 0.000) 6.706 20.564 ( 6.202 -1.876 0.000) 6.480 20.742 ( 2.457 2.105 0.000) 3.235 20.782 ( -0.628 -1.866 0.000) 1.968 21.045 ( 3.988 10.144 0.000) 10.900 21.146 ( -0.560 9.940 0.000) 9.956 21.198 ( 5.638 -5.266 0.000) 7.715 21.334 ( 0.551 -8.883 0.000) 8.900 22.334 ( 7.231 26.860 0.000) 27.816 22.786 ( -5.655 12.537 0.000) 13.754 22.839 ( 6.207 -24.311 0.000) 25.091 23.071 ( -1.646 -15.887 0.000) 15.972 102.879 ( 1.417 1.119 0.000) 1.805 102.889 ( 1.020 0.174 0.000) 1.035 102.974 ( -1.628 1.654 0.000) 2.321 102.983 ( -1.555 0.821 0.000) 1.758 103.096 ( 0.437 -0.132 0.000) 0.456 103.105 ( 0.312 -1.046 0.000) 1.091 103.107 ( 0.170 0.240 0.000) 0.294 103.135 ( -0.844 -2.405 0.000) 2.549 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 4.638 4.451 0.000) 6.428 2.366 ( 4.141 2.447 0.000) 4.810 2.462 ( 4.645 -6.925 0.000) 8.338 2.499 ( 0.645 -9.649 0.000) 9.670 3.000 ( 0.411 11.148 0.000) 11.155 3.006 ( -0.412 7.678 0.000) 7.690 3.103 ( 2.845 -0.252 0.000) 2.856 3.178 ( -0.675 -6.410 0.000) 6.446 3.330 ( 4.163 9.023 0.000) 9.937 3.505 ( -9.352 3.903 0.000) 10.134 3.521 ( 2.522 -10.260 0.000) 10.565 3.637 ( -6.635 -7.911 0.000) 10.325 3.895 ( 11.384 10.534 0.000) 15.510 4.039 ( -1.606 8.140 0.000) 8.297 4.129 ( 10.618 -11.025 0.000) 15.307 4.206 ( 2.857 -7.726 0.000) 8.237 4.703 ( 2.934 15.726 0.000) 15.997 4.786 ( -3.930 15.460 0.000) 15.952 5.032 ( 2.919 -14.096 0.000) 14.395 5.107 ( -3.784 -10.740 0.000) 11.388 5.342 ( 0.212 14.707 0.000) 14.708 5.378 ( -3.670 12.100 0.000) 12.645 5.425 ( 4.453 6.732 0.000) 8.072 5.513 ( -3.544 -1.002 0.000) 3.683 5.664 ( 8.313 0.356 0.000) 8.321 5.830 ( 7.545 -15.886 0.000) 17.587 5.901 ( -8.586 3.710 0.000) 9.354 5.995 ( 3.933 5.843 0.000) 7.043 6.023 ( -5.074 -11.350 0.000) 12.432 6.081 ( 1.054 2.300 0.000) 2.530 6.133 ( -1.101 -7.032 0.000) 7.118 6.143 ( 2.977 -3.189 0.000) 4.363 6.595 ( 5.422 4.081 0.000) 6.786 6.608 ( -0.400 14.860 0.000) 14.865 6.657 ( 1.637 1.098 0.000) 1.971 6.808 ( -2.610 -5.603 0.000) 6.180 6.936 ( 6.341 5.566 0.000) 8.438 7.163 ( -7.382 -1.254 0.000) 7.487 7.172 ( -2.584 -3.599 0.000) 4.431 7.189 ( -6.945 3.414 0.000) 7.739 7.196 ( 13.583 -3.034 0.000) 13.918 7.433 ( -0.008 -11.466 0.000) 11.466 7.493 ( -15.076 2.004 0.000) 15.209 7.645 ( -15.553 -9.967 0.000) 18.473 8.023 ( 5.639 5.545 0.000) 7.909 8.116 ( 2.583 -2.067 0.000) 3.308 8.164 ( -6.230 1.796 0.000) 6.484 8.201 ( -4.305 -0.965 0.000) 4.412 8.570 ( 2.601 5.590 0.000) 6.165 8.577 ( -0.567 -0.217 0.000) 0.607 8.631 ( 3.252 -5.460 0.000) 6.355 8.703 ( -0.264 -6.721 0.000) 6.726 8.781 ( 4.461 10.811 0.000) 11.695 8.943 ( 5.351 -3.425 0.000) 6.353 8.945 ( -5.503 6.532 0.000) 8.541 9.043 ( -2.611 -2.732 0.000) 3.779 9.169 ( -4.995 3.506 0.000) 6.102 9.230 ( -11.831 12.833 0.000) 17.454 9.331 ( -0.338 -11.069 0.000) 11.074 9.487 ( -13.757 -11.881 0.000) 18.177 10.201 ( 5.222 6.307 0.000) 8.188 10.268 ( -1.050 7.631 0.000) 7.703 10.330 ( 6.205 -4.667 0.000) 7.764 10.438 ( -4.060 -6.007 0.000) 7.250 10.526 ( 5.140 3.027 0.000) 5.965 10.567 ( 5.076 1.166 0.000) 5.208 10.598 ( -0.941 5.605 0.000) 5.683 10.707 ( 6.089 -3.867 0.000) 7.214 10.727 ( -8.967 -1.823 0.000) 9.151 10.731 ( 4.760 -6.120 0.000) 7.753 10.783 ( -0.732 -5.668 0.000) 5.715 10.825 ( -6.350 -5.054 0.000) 8.116 11.283 ( 10.150 2.166 0.000) 10.378 11.330 ( 8.692 -1.153 0.000) 8.768 11.434 ( -4.494 3.632 0.000) 5.778 11.482 ( -5.444 0.261 0.000) 5.450 11.883 ( -0.083 4.822 0.000) 4.823 11.920 ( -3.704 3.114 0.000) 4.839 11.968 ( -0.803 -4.294 0.000) 4.368 11.984 ( -2.727 -3.562 0.000) 4.486 12.319 ( 5.599 6.165 0.000) 8.328 12.427 ( -5.085 6.426 0.000) 8.195 12.434 ( 6.962 -5.080 0.000) 8.618 12.545 ( -3.801 -4.797 0.000) 6.120 12.675 ( 5.097 8.334 0.000) 9.769 12.742 ( -1.164 10.371 0.000) 10.436 12.789 ( 6.869 -3.193 0.000) 7.574 12.907 ( -4.433 -5.341 0.000) 6.941 13.936 ( 6.519 9.839 0.000) 11.802 14.074 ( -6.406 4.692 0.000) 7.940 14.125 ( 3.270 -8.611 0.000) 9.211 14.192 ( -3.279 -6.994 0.000) 7.724 14.455 ( 3.652 7.203 0.000) 8.076 14.498 ( -0.344 9.846 0.000) 9.852 14.616 ( 5.445 -8.641 0.000) 10.213 14.678 ( -0.386 -8.576 0.000) 8.585 15.244 ( 1.774 10.369 0.000) 10.520 15.247 ( 1.332 14.369 0.000) 14.431 15.484 ( 7.872 -13.683 0.000) 15.786 15.588 ( -1.664 -18.980 0.000) 19.052 16.336 ( 1.179 3.755 0.000) 3.936 16.375 ( -1.627 0.475 0.000) 1.695 16.439 ( -0.853 -6.476 0.000) 6.532 16.466 ( -2.840 -9.921 0.000) 10.320 17.736 ( 3.260 2.877 0.000) 4.348 17.779 ( 2.142 -1.807 0.000) 2.802 17.817 ( -3.699 2.956 0.000) 4.735 17.837 ( -3.745 0.661 0.000) 3.803 18.337 ( 2.144 2.140 0.000) 3.029 18.407 ( -4.516 2.244 0.000) 5.043 18.414 ( 2.686 -5.597 0.000) 6.208 18.484 ( -4.153 -5.639 0.000) 7.003 18.934 ( 2.651 8.177 0.000) 8.596 18.989 ( -1.269 10.855 0.000) 10.929 19.072 ( 3.360 -5.575 0.000) 6.509 19.136 ( -2.110 -2.104 0.000) 2.980 19.317 ( -3.031 8.438 0.000) 8.966 19.319 ( -3.081 1.973 0.000) 3.659 19.400 ( 1.802 -6.687 0.000) 6.925 19.477 ( -5.154 -7.712 0.000) 9.276 20.037 ( -0.940 2.294 0.000) 2.480 20.067 ( -3.431 3.639 0.000) 5.001 20.070 ( 0.511 -0.909 0.000) 1.043 20.136 ( -5.274 -3.598 0.000) 6.385 20.650 ( 5.582 2.706 0.000) 6.203 20.688 ( 4.997 -1.327 0.000) 5.170 20.740 ( -3.040 1.591 0.000) 3.431 20.756 ( -1.482 -0.469 0.000) 1.555 21.114 ( 2.286 10.509 0.000) 10.754 21.140 ( -0.418 10.497 0.000) 10.506 21.294 ( 3.304 -7.577 0.000) 8.266 21.334 ( -0.722 -9.141 0.000) 9.170 22.488 ( 7.612 23.960 0.000) 25.140 22.646 ( -7.438 18.452 0.000) 19.894 22.952 ( 4.537 -22.865 0.000) 23.311 23.027 ( -2.747 -19.705 0.000) 19.895 102.909 ( 1.421 1.097 0.000) 1.795 102.914 ( 1.522 0.573 0.000) 1.627 102.940 ( -1.578 1.517 0.000) 2.189 102.949 ( -1.696 0.618 0.000) 1.805 103.106 ( 0.465 -0.521 0.000) 0.698 103.110 ( 0.042 -0.475 0.000) 0.477 103.111 ( 0.250 -1.019 0.000) 1.049 103.120 ( -0.625 -1.463 0.000) 1.591 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 0.000 27.056) 27.056 0.678 ( 0.000 0.000 35.339) 35.339 1.111 ( 0.000 0.000 56.890) 56.890 1.923 ( 0.000 0.000 -18.218) 18.218 2.433 ( 0.000 0.000 -19.297) 19.297 2.668 ( 0.000 0.000 3.433) 3.433 2.830 ( 0.000 0.000 1.707) 1.707 2.936 ( 0.000 0.000 1.716) 1.716 2.974 ( 0.000 0.000 -3.107) 3.107 3.161 ( 0.000 0.000 0.558) 0.558 3.284 ( 0.000 0.000 -4.871) 4.871 3.469 ( 0.000 0.000 5.781) 5.781 3.476 ( 0.000 0.000 -2.163) 2.163 3.654 ( 0.000 0.000 15.571) 15.571 3.866 ( 0.000 0.000 -16.634) 16.634 4.125 ( 0.000 0.000 -0.827) 0.827 4.134 ( 0.000 0.000 0.670) 0.670 4.305 ( 0.000 0.000 -1.479) 1.479 4.451 ( 0.000 0.000 -1.159) 1.159 4.561 ( 0.000 0.000 -5.292) 5.292 4.828 ( 0.000 0.000 1.753) 1.753 4.999 ( 0.000 0.000 11.176) 11.176 5.042 ( 0.000 0.000 8.950) 8.950 5.073 ( 0.000 0.000 -4.462) 4.462 5.582 ( 0.000 0.000 0.807) 0.807 5.780 ( 0.000 0.000 -3.080) 3.080 5.785 ( 0.000 0.000 2.723) 2.723 5.810 ( 0.000 0.000 -6.183) 6.183 5.841 ( 0.000 0.000 0.008) 0.008 6.098 ( 0.000 0.000 -10.965) 10.965 6.193 ( 0.000 0.000 3.248) 3.248 6.330 ( 0.000 0.000 6.582) 6.582 6.713 ( 0.000 0.000 -14.328) 14.328 6.818 ( 0.000 0.000 5.157) 5.157 6.899 ( 0.000 0.000 -7.453) 7.453 6.980 ( 0.000 0.000 0.249) 0.249 7.054 ( 0.000 0.000 -1.148) 1.148 7.117 ( 0.000 0.000 -1.503) 1.503 7.377 ( 0.000 0.000 4.269) 4.269 7.646 ( 0.000 0.000 3.817) 3.817 7.852 ( 0.000 0.000 -5.776) 5.776 7.886 ( 0.000 0.000 0.519) 0.519 7.940 ( 0.000 0.000 -0.829) 0.829 8.011 ( 0.000 0.000 0.724) 0.724 8.146 ( 0.000 0.000 0.167) 0.167 8.257 ( 0.000 0.000 -6.491) 6.491 8.616 ( 0.000 0.000 -0.307) 0.307 8.616 ( 0.000 0.000 2.607) 2.607 8.726 ( 0.000 0.000 4.721) 4.721 8.997 ( 0.000 0.000 7.805) 7.805 9.032 ( 0.000 0.000 -3.421) 3.421 9.199 ( 0.000 0.000 1.078) 1.078 9.357 ( 0.000 0.000 -2.159) 2.159 9.394 ( 0.000 0.000 -0.823) 0.823 9.491 ( 0.000 0.000 -0.532) 0.532 9.590 ( 0.000 0.000 -6.575) 6.575 9.600 ( 0.000 0.000 6.867) 6.867 9.655 ( 0.000 0.000 1.293) 1.293 9.735 ( 0.000 0.000 -0.441) 0.441 9.848 ( 0.000 0.000 -5.196) 5.196 9.989 ( 0.000 0.000 0.849) 0.849 10.034 ( 0.000 0.000 -3.345) 3.345 10.046 ( 0.000 0.000 -5.372) 5.372 10.215 ( 0.000 0.000 -2.412) 2.412 10.227 ( 0.000 0.000 3.260) 3.260 10.286 ( 0.000 0.000 3.462) 3.462 10.287 ( 0.000 0.000 7.007) 7.007 10.402 ( 0.000 0.000 6.605) 6.605 10.569 ( 0.000 0.000 0.038) 0.038 10.766 ( 0.000 0.000 -0.458) 0.458 10.890 ( 0.000 0.000 0.563) 0.563 10.890 ( 0.000 0.000 -2.258) 2.258 11.112 ( 0.000 0.000 7.363) 7.363 11.224 ( 0.000 0.000 6.451) 6.451 11.365 ( 0.000 0.000 -1.110) 1.110 11.477 ( 0.000 0.000 3.756) 3.756 11.526 ( 0.000 0.000 2.570) 2.570 11.655 ( 0.000 0.000 -1.100) 1.100 11.751 ( 0.000 0.000 -4.923) 4.923 11.762 ( 0.000 0.000 0.974) 0.974 11.797 ( 0.000 0.000 -1.236) 1.236 11.831 ( 0.000 0.000 -1.098) 1.098 11.908 ( 0.000 0.000 -1.045) 1.045 11.961 ( 0.000 0.000 2.231) 2.231 12.785 ( 0.000 0.000 -1.516) 1.516 12.815 ( 0.000 0.000 -0.696) 0.696 12.867 ( 0.000 0.000 6.560) 6.560 13.454 ( 0.000 0.000 -9.339) 9.339 13.454 ( 0.000 0.000 3.182) 3.182 13.574 ( 0.000 0.000 -6.126) 6.126 13.612 ( 0.000 0.000 -4.165) 4.165 14.046 ( 0.000 0.000 2.557) 2.557 14.074 ( 0.000 0.000 -14.669) 14.669 14.242 ( 0.000 0.000 -3.337) 3.337 14.760 ( 0.000 0.000 5.263) 5.263 14.936 ( 0.000 0.000 0.589) 0.589 15.505 ( 0.000 0.000 10.451) 10.451 15.877 ( 0.000 0.000 -1.305) 1.305 16.089 ( 0.000 0.000 0.936) 0.936 16.338 ( 0.000 0.000 -6.637) 6.637 16.560 ( 0.000 0.000 4.269) 4.269 16.580 ( 0.000 0.000 6.843) 6.843 16.756 ( 0.000 0.000 5.156) 5.156 17.352 ( 0.000 0.000 -9.351) 9.351 17.736 ( 0.000 0.000 0.837) 0.837 18.098 ( 0.000 0.000 -11.692) 11.692 18.172 ( 0.000 0.000 0.474) 0.474 18.256 ( 0.000 0.000 -2.254) 2.254 18.289 ( 0.000 0.000 5.229) 5.229 18.295 ( 0.000 0.000 0.631) 0.631 18.321 ( 0.000 0.000 0.711) 0.711 18.452 ( 0.000 0.000 3.346) 3.346 19.062 ( 0.000 0.000 3.008) 3.008 19.088 ( 0.000 0.000 2.433) 2.433 19.136 ( 0.000 0.000 2.072) 2.072 19.223 ( 0.000 0.000 -0.666) 0.666 19.421 ( 0.000 0.000 3.207) 3.207 19.452 ( 0.000 0.000 5.426) 5.426 19.691 ( 0.000 0.000 -0.750) 0.750 19.716 ( 0.000 0.000 7.914) 7.914 19.874 ( 0.000 0.000 -4.375) 4.375 19.950 ( 0.000 0.000 -5.511) 5.511 19.966 ( 0.000 0.000 -8.516) 8.516 20.219 ( 0.000 0.000 4.014) 4.014 20.223 ( 0.000 0.000 1.833) 1.833 20.397 ( 0.000 0.000 -7.321) 7.321 20.471 ( 0.000 0.000 -5.507) 5.507 20.609 ( 0.000 0.000 -7.222) 7.222 20.947 ( 0.000 0.000 0.176) 0.176 20.996 ( 0.000 0.000 8.088) 8.088 20.998 ( 0.000 0.000 -0.990) 0.990 21.137 ( 0.000 0.000 11.785) 11.785 21.483 ( 0.000 0.000 -0.882) 0.882 21.870 ( 0.000 0.000 -4.102) 4.102 23.353 ( 0.000 0.000 1.680) 1.680 23.528 ( 0.000 0.000 -2.320) 2.320 102.759 ( 0.000 0.000 0.616) 0.616 102.831 ( 0.000 0.000 -1.655) 1.655 102.893 ( 0.000 0.000 1.505) 1.505 102.953 ( 0.000 0.000 -0.456) 0.456 103.092 ( 0.000 0.000 0.356) 0.356 103.122 ( 0.000 0.000 -0.344) 0.344 103.215 ( 0.000 0.000 0.113) 0.113 103.226 ( 0.000 0.000 -0.151) 0.151 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 22.714 0.000 21.037) 30.959 0.907 ( 29.394 0.000 15.524) 33.242 1.695 ( 41.636 0.000 37.762) 56.209 2.038 ( 10.299 0.000 -16.237) 19.228 2.503 ( 3.990 0.000 -22.097) 22.455 2.584 ( -6.047 0.000 4.715) 7.669 2.888 ( 3.771 0.000 -1.466) 4.046 3.000 ( 8.252 0.000 4.756) 9.524 3.155 ( -0.183 0.000 1.431) 1.443 3.223 ( 3.897 0.000 -5.138) 6.449 3.284 ( -0.034 0.000 -4.783) 4.783 3.510 ( 3.297 0.000 -1.696) 3.708 3.652 ( -0.185 0.000 15.374) 15.375 3.659 ( 15.489 0.000 -3.774) 15.942 3.979 ( 2.939 0.000 -9.821) 10.251 4.135 ( 2.503 0.000 0.668) 2.590 4.255 ( 12.625 0.000 -11.385) 17.000 4.280 ( -3.018 0.000 -0.908) 3.151 4.385 ( -5.975 0.000 -1.098) 6.075 4.573 ( 1.619 0.000 -7.354) 7.530 4.865 ( 3.350 0.000 2.794) 4.362 4.943 ( 0.882 0.000 2.253) 2.419 5.127 ( 4.571 0.000 -4.056) 6.111 5.243 ( 10.838 0.000 7.244) 13.036 5.620 ( 3.494 0.000 0.107) 3.495 5.707 ( -8.011 0.000 -3.565) 8.769 5.708 ( -2.734 0.000 0.146) 2.738 5.855 ( 3.846 0.000 1.604) 4.167 5.922 ( 5.906 0.000 -0.449) 5.923 5.994 ( -5.792 0.000 1.637) 6.019 6.180 ( -0.834 0.000 -4.647) 4.721 6.367 ( 3.698 0.000 5.777) 6.859 6.732 ( -1.926 0.000 -13.443) 13.580 6.738 ( -17.024 0.000 3.114) 17.307 6.839 ( 1.725 0.000 5.625) 5.883 6.886 ( -1.395 0.000 -7.564) 7.691 7.045 ( -4.071 0.000 -2.220) 4.637 7.126 ( -3.411 0.000 -3.222) 4.692 7.348 ( -3.166 0.000 4.489) 5.494 7.702 ( 5.131 0.000 -5.881) 7.805 7.763 ( -3.247 0.000 -2.973) 4.402 7.902 ( 1.331 0.000 0.490) 1.418 7.991 ( 2.565 0.000 -1.850) 3.163 8.025 ( -1.506 0.000 -3.101) 3.447 8.180 ( 0.537 0.000 2.306) 2.368 8.213 ( 0.135 0.000 -3.631) 3.634 8.548 ( -3.552 0.000 4.227) 5.522 8.680 ( -6.773 0.000 -0.227) 6.777 8.695 ( 2.498 0.000 -3.172) 4.037 8.872 ( -11.111 0.000 0.911) 11.149 8.935 ( -6.247 0.000 5.890) 8.586 9.086 ( -12.314 0.000 9.761) 15.713 9.168 ( -3.131 0.000 0.593) 3.187 9.336 ( -13.327 0.000 5.040) 14.248 9.389 ( -5.345 0.000 3.431) 6.352 9.419 ( -12.356 0.000 -3.612) 12.873 9.484 ( -1.059 0.000 -0.014) 1.059 9.542 ( -11.205 0.000 1.490) 11.304 9.652 ( -6.117 0.000 -2.040) 6.448 9.828 ( -1.565 0.000 -12.300) 12.399 10.001 ( -0.055 0.000 0.062) 0.083 10.104 ( 1.304 0.000 1.073) 1.689 10.201 ( 3.455 0.000 -4.163) 5.410 10.234 ( 3.876 0.000 1.106) 4.031 10.245 ( 11.064 0.000 -3.205) 11.519 10.383 ( 6.638 0.000 -0.176) 6.640 10.385 ( 6.847 0.000 0.811) 6.895 10.492 ( -1.548 0.000 -0.773) 1.730 10.625 ( 2.562 0.000 4.785) 5.428 10.780 ( -0.457 0.000 2.699) 2.737 10.990 ( 4.434 0.000 -0.031) 4.434 11.018 ( 16.154 0.000 -7.119) 17.652 11.129 ( 1.157 0.000 6.673) 6.772 11.175 ( -4.011 0.000 6.060) 7.267 11.352 ( -0.883 0.000 -1.586) 1.815 11.473 ( -6.145 0.000 -2.481) 6.627 11.524 ( 0.478 0.000 4.830) 4.854 11.653 ( 8.680 0.000 5.874) 10.480 11.787 ( 4.714 0.000 -0.312) 4.724 11.809 ( 5.692 0.000 6.052) 8.308 11.859 ( 5.491 0.000 -2.702) 6.120 11.988 ( 11.986 0.000 -2.830) 12.315 11.993 ( 3.572 0.000 2.106) 4.146 12.163 ( 11.852 0.000 -7.906) 14.247 12.683 ( -8.027 0.000 -2.113) 8.300 12.732 ( -6.389 0.000 -2.933) 7.031 12.861 ( -0.736 0.000 7.298) 7.335 13.344 ( -7.758 0.000 -5.933) 9.767 13.494 ( -6.815 0.000 -5.185) 8.563 13.549 ( -4.518 0.000 -4.009) 6.041 13.671 ( 18.814 0.000 4.286) 19.296 14.063 ( 2.122 0.000 2.010) 2.923 14.296 ( 4.576 0.000 -4.535) 6.442 14.309 ( 19.868 0.000 -14.736) 24.736 14.711 ( -4.509 0.000 6.304) 7.751 14.897 ( -6.638 0.000 3.825) 7.661 15.363 ( -36.050 0.000 39.545) 53.511 15.504 ( 0.264 0.000 11.841) 11.844 15.942 ( 5.916 0.000 -2.010) 6.248 16.058 ( -6.516 0.000 -1.650) 6.721 16.229 ( -17.206 0.000 4.748) 17.849 16.499 ( -4.751 0.000 -3.320) 5.796 16.874 ( 10.058 0.000 3.310) 10.588 17.446 ( -1.423 0.000 -1.882) 2.359 17.630 ( -5.311 0.000 3.496) 6.358 18.113 ( -3.000 0.000 -10.287) 10.716 18.173 ( 0.152 0.000 0.337) 0.370 18.243 ( -1.147 0.000 -1.602) 1.970 18.276 ( -0.664 0.000 2.860) 2.936 18.294 ( -0.050 0.000 0.399) 0.403 18.324 ( 0.196 0.000 0.493) 0.531 18.583 ( 0.365 0.000 -10.798) 10.805 18.974 ( -7.249 0.000 1.767) 7.462 19.050 ( -3.343 0.000 1.294) 3.585 19.081 ( -8.404 0.000 2.044) 8.649 19.116 ( -2.448 0.000 1.419) 2.829 19.416 ( -2.629 0.000 6.049) 6.596 19.539 ( 9.358 0.000 3.689) 10.059 19.630 ( -4.475 0.000 1.330) 4.669 19.833 ( 7.318 0.000 6.780) 9.976 19.891 ( 2.004 0.000 -1.469) 2.485 19.984 ( -0.182 0.000 -7.024) 7.026 20.051 ( 4.673 0.000 -7.593) 8.916 20.183 ( -1.532 0.000 1.698) 2.287 20.258 ( 2.555 0.000 2.255) 3.408 20.422 ( 2.238 0.000 -8.789) 9.070 20.523 ( 3.180 0.000 -3.040) 4.400 20.609 ( 4.726 0.000 -1.363) 4.918 20.934 ( -1.579 0.000 -0.375) 1.623 20.946 ( 0.064 0.000 7.892) 7.892 20.964 ( -2.895 0.000 -0.378) 2.920 21.109 ( -4.092 0.000 9.466) 10.313 21.547 ( 5.389 0.000 1.231) 5.528 22.509 ( 21.918 0.000 -31.741) 38.573 23.370 ( 2.731 0.000 2.337) 3.595 23.586 ( 2.500 0.000 -7.801) 8.192 102.766 ( 0.649 0.000 0.551) 0.852 102.832 ( 0.021 0.000 -1.528) 1.528 102.890 ( -0.323 0.000 1.449) 1.484 102.948 ( -0.408 0.000 -0.462) 0.616 103.098 ( 0.583 0.000 0.241) 0.631 103.114 ( -0.375 0.000 0.150) 0.403 103.158 ( -0.384 0.000 2.361) 2.392 103.292 ( 0.761 0.000 -3.038) 3.132 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 28.957 0.000 7.150) 29.827 1.567 ( 32.737 0.000 8.311) 33.776 2.293 ( 12.548 0.000 -10.778) 16.541 2.470 ( -4.230 0.000 5.030) 6.572 2.504 ( 19.776 0.000 3.917) 20.160 2.605 ( 19.615 0.000 0.179) 19.616 2.948 ( 1.771 0.000 -7.715) 7.916 3.080 ( -3.890 0.000 9.922) 10.657 3.175 ( 2.781 0.000 2.273) 3.592 3.302 ( 2.425 0.000 -1.385) 2.793 3.389 ( 15.285 0.000 -1.106) 15.325 3.608 ( 5.965 0.000 -1.523) 6.156 3.641 ( -1.104 0.000 13.811) 13.855 3.871 ( 0.529 0.000 -0.063) 0.532 4.020 ( 5.000 0.000 -7.501) 9.015 4.165 ( -7.915 0.000 -0.270) 7.919 4.223 ( -8.975 0.000 -0.753) 9.007 4.263 ( 11.596 0.000 3.958) 12.253 4.581 ( 16.984 0.000 -10.855) 20.156 4.634 ( 3.192 0.000 -12.958) 13.346 4.941 ( 3.347 0.000 4.716) 5.784 5.029 ( 5.765 0.000 -0.463) 5.784 5.224 ( 3.572 0.000 -3.650) 5.107 5.366 ( -1.312 0.000 -8.294) 8.398 5.586 ( -0.795 0.000 6.273) 6.324 5.663 ( -0.601 0.000 3.376) 3.429 5.733 ( 6.367 0.000 0.731) 6.408 5.911 ( -1.449 0.000 0.867) 1.688 5.943 ( 2.986 0.000 3.361) 4.496 6.033 ( 4.156 0.000 -0.220) 4.162 6.175 ( 1.328 0.000 -1.006) 1.666 6.395 ( -11.092 0.000 3.558) 11.649 6.500 ( 7.618 0.000 4.728) 8.966 6.627 ( -7.595 0.000 -10.563) 13.010 6.824 ( -4.901 0.000 -6.984) 8.533 6.870 ( 1.182 0.000 2.270) 2.559 6.948 ( -3.106 0.000 -3.094) 4.384 6.985 ( -8.304 0.000 1.046) 8.369 7.305 ( 0.113 0.000 5.310) 5.311 7.626 ( -6.466 0.000 -4.564) 7.915 7.903 ( -2.889 0.000 -0.033) 2.889 7.913 ( 6.398 0.000 -3.719) 7.401 7.974 ( 0.429 0.000 -6.112) 6.127 7.974 ( -3.943 0.000 -2.249) 4.539 8.091 ( -4.399 0.000 -3.785) 5.804 8.327 ( 4.750 0.000 2.191) 5.231 8.391 ( -18.862 0.000 0.147) 18.863 8.477 ( -1.499 0.000 4.812) 5.040 8.579 ( -16.522 0.000 -3.750) 16.942 8.628 ( -9.039 0.000 -1.822) 9.220 8.849 ( -3.514 0.000 6.423) 7.321 8.933 ( -4.481 0.000 8.544) 9.648 9.042 ( -11.419 0.000 0.324) 11.424 9.074 ( -5.902 0.000 -0.068) 5.902 9.196 ( -8.053 0.000 -2.740) 8.507 9.239 ( -8.546 0.000 4.343) 9.586 9.289 ( -11.048 0.000 1.763) 11.188 9.493 ( -8.355 0.000 -3.419) 9.028 9.575 ( 8.089 0.000 1.638) 8.253 9.771 ( -4.734 0.000 -12.704) 13.557 10.015 ( 2.431 0.000 4.639) 5.237 10.041 ( -5.355 0.000 -1.695) 5.617 10.273 ( 1.763 0.000 -6.623) 6.854 10.359 ( 7.230 0.000 0.843) 7.279 10.446 ( 1.504 0.000 0.064) 1.506 10.457 ( 8.050 0.000 -4.127) 9.046 10.523 ( 1.628 0.000 0.028) 1.628 10.525 ( 6.604 0.000 -1.018) 6.682 10.683 ( 3.647 0.000 5.941) 6.971 10.769 ( -0.054 0.000 5.698) 5.698 11.054 ( 1.763 0.000 2.089) 2.733 11.093 ( -2.658 0.000 4.960) 5.628 11.148 ( 0.833 0.000 4.974) 5.043 11.275 ( -0.751 0.000 -4.286) 4.351 11.352 ( 1.339 0.000 -2.318) 2.677 11.430 ( 10.621 0.000 -4.039) 11.363 11.554 ( 1.999 0.000 7.764) 8.017 11.787 ( 4.427 0.000 5.065) 6.727 11.868 ( 0.446 0.000 -0.138) 0.467 11.957 ( 6.238 0.000 2.138) 6.595 12.048 ( 11.961 0.000 0.928) 11.997 12.124 ( 7.600 0.000 -1.992) 7.857 12.239 ( 10.501 0.000 3.068) 10.940 12.297 ( 3.488 0.000 -1.412) 3.763 12.493 ( -8.998 0.000 -1.765) 9.169 12.618 ( -4.748 0.000 -5.612) 7.351 12.816 ( -3.844 0.000 9.439) 10.192 13.215 ( -5.305 0.000 -6.122) 8.101 13.336 ( -6.217 0.000 -3.538) 7.153 13.529 ( 4.305 0.000 -8.479) 9.509 14.112 ( 1.925 0.000 0.411) 1.969 14.138 ( 24.289 0.000 4.879) 24.774 14.408 ( 4.861 0.000 -4.116) 6.370 14.588 ( -6.711 0.000 7.831) 10.313 14.658 ( -9.253 0.000 12.557) 15.598 14.779 ( 22.749 0.000 -15.976) 27.798 15.085 ( -3.722 0.000 7.570) 8.436 15.537 ( 3.786 0.000 15.169) 15.635 15.617 ( -26.245 0.000 -2.625) 26.376 16.098 ( 8.318 0.000 -3.448) 9.005 16.122 ( 0.197 0.000 3.704) 3.709 16.436 ( -1.907 0.000 -3.826) 4.275 17.047 ( 6.045 0.000 0.964) 6.121 17.347 ( -7.269 0.000 -0.527) 7.288 17.538 ( -2.472 0.000 4.070) 4.762 18.025 ( -4.633 0.000 -8.938) 10.068 18.178 ( 0.220 0.000 -0.091) 0.238 18.214 ( -1.409 0.000 -0.489) 1.491 18.253 ( -1.624 0.000 3.198) 3.587 18.291 ( -0.288 0.000 0.084) 0.300 18.324 ( -0.336 0.000 0.265) 0.428 18.516 ( -4.475 0.000 -5.395) 7.009 18.816 ( -7.578 0.000 -0.669) 7.608 18.885 ( -10.572 0.000 0.374) 10.579 18.957 ( -5.585 0.000 0.095) 5.586 19.025 ( -6.037 0.000 -0.866) 6.099 19.355 ( -3.020 0.000 3.281) 4.459 19.546 ( -3.300 0.000 4.758) 5.790 19.762 ( 10.654 0.000 3.404) 11.185 19.857 ( 0.326 0.000 7.372) 7.379 19.921 ( -5.294 0.000 -3.551) 6.375 19.935 ( -5.377 0.000 -2.403) 5.890 20.126 ( 3.955 0.000 -6.365) 7.494 20.163 ( -0.249 0.000 1.235) 1.260 20.354 ( 6.371 0.000 -1.064) 6.459 20.480 ( 4.024 0.000 -7.831) 8.804 20.698 ( 9.641 0.000 7.670) 12.320 20.761 ( 11.345 0.000 -1.796) 11.486 20.844 ( -6.590 0.000 0.069) 6.590 20.917 ( -2.092 0.000 -0.574) 2.170 20.984 ( -6.954 0.000 9.405) 11.696 21.012 ( 6.663 0.000 0.403) 6.675 21.655 ( 3.923 0.000 3.269) 5.106 22.658 ( -3.342 0.000 -17.701) 18.013 23.472 ( 6.399 0.000 0.220) 6.403 23.608 ( 0.717 0.000 -5.246) 5.295 102.785 ( 1.163 0.000 0.375) 1.221 102.833 ( 0.091 0.000 -1.179) 1.183 102.881 ( -0.539 0.000 1.275) 1.384 102.936 ( -0.815 0.000 -0.463) 0.938 103.113 ( 0.667 0.000 0.208) 0.698 103.120 ( 0.908 0.000 -0.003) 0.908 103.164 ( 0.530 0.000 1.409) 1.505 103.280 ( -1.485 0.000 -1.774) 2.314 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 26.037 0.000 2.718) 26.178 2.203 ( 25.107 0.000 2.588) 25.240 2.426 ( 0.523 0.000 4.626) 4.655 2.505 ( 8.593 0.000 -3.695) 9.353 2.631 ( 4.948 0.000 -9.235) 10.477 2.959 ( -5.191 0.000 7.696) 9.283 2.992 ( 3.334 0.000 -10.488) 11.005 3.078 ( 9.633 0.000 11.801) 15.234 3.277 ( 6.676 0.000 2.165) 7.018 3.393 ( 6.214 0.000 0.664) 6.249 3.603 ( -2.450 0.000 11.532) 11.789 3.685 ( 7.932 0.000 -4.709) 9.225 3.796 ( 14.289 0.000 -0.576) 14.300 3.859 ( 2.523 0.000 2.622) 3.639 3.967 ( -10.604 0.000 0.330) 10.609 4.044 ( -7.462 0.000 -0.531) 7.481 4.077 ( 1.600 0.000 -7.156) 7.332 4.523 ( 8.519 0.000 6.592) 10.771 4.594 ( -9.880 0.000 -14.029) 17.158 4.906 ( 12.689 0.000 -10.881) 16.715 5.022 ( 5.616 0.000 1.973) 5.952 5.123 ( 3.722 0.000 0.376) 3.741 5.232 ( -9.794 0.000 -1.866) 9.970 5.254 ( -0.090 0.000 -2.504) 2.506 5.656 ( 0.335 0.000 6.973) 6.981 5.709 ( 12.178 0.000 -1.283) 12.246 5.830 ( -1.450 0.000 7.396) 7.537 5.975 ( 8.096 0.000 -0.949) 8.152 5.980 ( 4.388 0.000 -2.783) 5.196 6.127 ( 8.123 0.000 4.779) 9.424 6.197 ( -2.296 0.000 4.753) 5.278 6.283 ( -4.120 0.000 -0.748) 4.188 6.491 ( -2.201 0.000 -5.331) 5.767 6.691 ( 8.428 0.000 1.469) 8.555 6.787 ( 5.225 0.000 -5.756) 7.774 6.811 ( -8.079 0.000 3.008) 8.621 6.918 ( 3.545 0.000 -8.826) 9.511 6.924 ( 0.065 0.000 -2.163) 2.164 7.344 ( 2.564 0.000 6.698) 7.172 7.455 ( -9.197 0.000 -0.976) 9.248 7.732 ( -11.121 0.000 1.492) 11.221 7.869 ( -4.510 0.000 0.405) 4.528 7.894 ( -4.289 0.000 -2.587) 5.009 7.977 ( -19.497 0.000 1.600) 19.563 8.015 ( 0.026 0.000 -2.594) 2.594 8.157 ( 7.844 0.000 -5.276) 9.454 8.205 ( -18.826 0.000 -3.663) 19.179 8.368 ( -4.749 0.000 6.871) 8.353 8.423 ( -0.578 0.000 -4.979) 5.012 8.488 ( -3.030 0.000 8.306) 8.841 8.786 ( -1.786 0.000 2.683) 3.223 8.802 ( -5.903 0.000 2.963) 6.605 8.886 ( -5.799 0.000 0.372) 5.811 8.979 ( -2.682 0.000 1.128) 2.910 9.011 ( -9.108 0.000 -2.545) 9.457 9.060 ( -8.077 0.000 1.490) 8.213 9.172 ( -1.620 0.000 0.403) 1.669 9.336 ( -6.408 0.000 -3.756) 7.428 9.619 ( -7.941 0.000 -8.898) 11.926 9.772 ( 8.055 0.000 -4.360) 9.159 9.910 ( -5.392 0.000 -1.573) 5.617 10.127 ( 8.111 0.000 5.540) 9.823 10.306 ( 1.687 0.000 -7.843) 8.022 10.477 ( -0.304 0.000 0.777) 0.835 10.495 ( 5.295 0.000 -1.274) 5.446 10.514 ( -1.514 0.000 -0.582) 1.622 10.571 ( 2.729 0.000 -1.763) 3.249 10.615 ( 1.434 0.000 -0.440) 1.500 10.730 ( 1.358 0.000 5.572) 5.735 10.791 ( 1.966 0.000 1.917) 2.746 10.990 ( -4.589 0.000 3.630) 5.851 11.155 ( -3.000 0.000 0.891) 3.130 11.187 ( 3.482 0.000 4.165) 5.428 11.191 ( 4.689 0.000 4.947) 6.817 11.400 ( 2.153 0.000 -2.642) 3.408 11.595 ( 2.324 0.000 8.256) 8.577 11.674 ( 6.031 0.000 -5.556) 8.200 11.841 ( -2.246 0.000 1.944) 2.970 11.880 ( 6.709 0.000 5.290) 8.544 12.087 ( 5.322 0.000 1.653) 5.573 12.176 ( -0.089 0.000 1.753) 1.755 12.258 ( 4.374 0.000 -4.246) 6.096 12.291 ( 2.343 0.000 -2.584) 3.488 12.342 ( -4.722 0.000 -0.837) 4.796 12.468 ( 5.841 0.000 0.986) 5.923 12.526 ( -4.156 0.000 -6.038) 7.330 12.732 ( -3.301 0.000 7.041) 7.776 13.066 ( -8.811 0.000 -2.607) 9.189 13.351 ( 8.420 0.000 -1.732) 8.596 13.701 ( 10.118 0.000 -8.571) 13.260 14.134 ( 0.336 0.000 1.502) 1.539 14.329 ( -10.097 0.000 2.048) 10.303 14.528 ( -0.723 0.000 10.646) 10.671 14.620 ( 21.096 0.000 4.737) 21.622 14.656 ( 7.511 0.000 -2.988) 8.083 14.954 ( -12.043 0.000 1.253) 12.108 15.129 ( 8.702 0.000 -10.448) 13.597 15.177 ( -12.665 0.000 -0.707) 12.684 15.720 ( 14.606 0.000 11.228) 18.423 16.160 ( 3.683 0.000 2.914) 4.696 16.248 ( 5.053 0.000 -4.331) 6.656 16.417 ( -0.274 0.000 -3.406) 3.417 17.071 ( -3.918 0.000 -0.168) 3.921 17.182 ( -7.592 0.000 -2.144) 7.889 17.580 ( 6.557 0.000 2.678) 7.082 17.938 ( -3.742 0.000 -7.655) 8.521 18.171 ( -0.873 0.000 -0.153) 0.887 18.198 ( -0.164 0.000 0.120) 0.203 18.213 ( -1.810 0.000 4.270) 4.638 18.282 ( -0.551 0.000 -0.175) 0.578 18.310 ( -0.948 0.000 -0.033) 0.948 18.445 ( -2.315 0.000 -1.289) 2.650 18.632 ( -10.782 0.000 0.558) 10.796 18.688 ( -6.996 0.000 -0.755) 7.037 18.827 ( -6.164 0.000 0.178) 6.166 18.891 ( -6.395 0.000 -1.556) 6.581 19.301 ( -1.655 0.000 -4.464) 4.761 19.501 ( -0.689 0.000 4.041) 4.100 19.700 ( -11.961 0.000 -11.516) 16.603 19.788 ( -7.176 0.000 -2.962) 7.764 19.887 ( 2.317 0.000 12.708) 12.917 20.008 ( 9.071 0.000 5.712) 10.720 20.149 ( -0.463 0.000 4.262) 4.287 20.193 ( 3.587 0.000 3.157) 4.779 20.499 ( 7.074 0.000 -2.288) 7.435 20.599 ( 6.521 0.000 -9.002) 11.116 20.683 ( -8.488 0.000 1.293) 8.586 20.693 ( -6.995 0.000 11.218) 13.220 20.861 ( -3.435 0.000 -1.699) 3.832 20.885 ( -1.770 0.000 6.222) 6.469 21.155 ( 21.829 0.000 -1.883) 21.910 21.209 ( 11.347 0.000 -2.670) 11.657 21.686 ( -1.134 0.000 2.867) 3.083 22.459 ( -14.649 0.000 -10.786) 18.192 23.603 ( 5.583 0.000 -1.205) 5.712 23.644 ( 2.687 0.000 -2.148) 3.440 102.812 ( 1.368 0.000 0.152) 1.376 102.836 ( 0.244 0.000 -0.694) 0.736 102.869 ( -0.529 0.000 0.963) 1.099 102.915 ( -1.179 0.000 -0.416) 1.250 103.131 ( 1.106 0.000 0.178) 1.120 103.142 ( 1.064 0.000 -0.185) 1.080 103.174 ( 0.337 0.000 0.832) 0.898 103.242 ( -1.985 0.000 -0.903) 2.181 ======================= Grid point 67 (25/60) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 2.593 0.000 0.421) 2.627 2.452 ( -0.953 0.000 -0.105) 0.959 2.491 ( 17.236 0.000 2.590) 17.430 2.695 ( -1.904 0.000 2.421) 3.080 2.836 ( 17.630 0.000 -0.043) 17.630 2.899 ( 2.709 0.000 -1.208) 2.966 3.039 ( -1.707 0.000 -5.593) 5.848 3.058 ( -8.271 0.000 2.657) 8.687 3.428 ( 7.049 0.000 1.812) 7.279 3.523 ( 0.688 0.000 0.499) 0.850 3.569 ( 4.156 0.000 7.144) 8.264 3.745 ( -10.255 0.000 1.314) 10.339 3.791 ( 4.025 0.000 -1.907) 4.454 3.847 ( -0.935 0.000 0.476) 1.049 3.983 ( 4.434 0.000 -0.716) 4.492 4.112 ( 6.521 0.000 -3.223) 7.274 4.123 ( 2.955 0.000 -2.942) 4.170 4.259 ( -18.844 0.000 -5.373) 19.595 4.655 ( 9.133 0.000 5.304) 10.561 4.925 ( -13.451 0.000 -1.840) 13.577 5.134 ( 5.572 0.000 -3.604) 6.636 5.153 ( 5.698 0.000 -3.776) 6.835 5.204 ( 0.852 0.000 -2.365) 2.514 5.234 ( -2.121 0.000 -3.310) 3.931 5.701 ( 3.976 0.000 7.280) 8.295 5.778 ( -2.732 0.000 6.600) 7.143 5.935 ( 6.810 0.000 -4.634) 8.237 6.024 ( 1.756 0.000 -2.581) 3.122 6.038 ( -4.795 0.000 -5.634) 7.399 6.125 ( -7.857 0.000 -2.287) 8.184 6.317 ( 16.201 0.000 6.015) 17.281 6.440 ( 17.261 0.000 5.000) 17.970 6.512 ( -0.608 0.000 5.425) 5.459 6.690 ( 0.496 0.000 1.771) 1.839 6.726 ( -7.501 0.000 0.587) 7.523 6.893 ( -10.177 0.000 -8.208) 13.074 6.974 ( 5.760 0.000 -1.056) 5.856 6.983 ( 7.054 0.000 -2.980) 7.658 7.317 ( 1.564 0.000 -1.448) 2.131 7.396 ( -2.020 0.000 -2.080) 2.899 7.549 ( -3.523 0.000 2.688) 4.431 7.658 ( -10.584 0.000 0.651) 10.604 7.798 ( -3.711 0.000 -2.685) 4.580 7.847 ( 6.436 0.000 4.031) 7.594 7.855 ( -11.861 0.000 -3.235) 12.295 8.052 ( -1.949 0.000 -1.853) 2.689 8.148 ( -5.724 0.000 7.007) 9.048 8.216 ( -6.237 0.000 6.879) 9.285 8.481 ( 6.904 0.000 4.894) 8.463 8.547 ( 6.513 0.000 -3.103) 7.214 8.689 ( -5.992 0.000 2.327) 6.428 8.740 ( -8.011 0.000 0.632) 8.036 8.786 ( 1.777 0.000 0.029) 1.777 8.860 ( -5.392 0.000 -1.475) 5.590 8.942 ( -1.835 0.000 0.963) 2.072 8.949 ( -1.992 0.000 -0.244) 2.007 9.171 ( 1.410 0.000 -1.050) 1.758 9.228 ( -4.005 0.000 -2.416) 4.677 9.543 ( 2.576 0.000 -9.162) 9.517 9.687 ( -9.148 0.000 -10.788) 14.145 10.045 ( 11.616 0.000 1.636) 11.731 10.267 ( -7.864 0.000 -1.199) 7.955 10.323 ( 9.936 0.000 3.369) 10.492 10.446 ( 0.910 0.000 -3.377) 3.497 10.487 ( -1.904 0.000 -3.848) 4.293 10.503 ( -6.310 0.000 0.085) 6.310 10.598 ( 2.407 0.000 -0.422) 2.444 10.628 ( -0.180 0.000 -1.314) 1.326 10.782 ( 3.617 0.000 3.300) 4.896 10.840 ( 0.754 0.000 -0.525) 0.919 10.914 ( -0.337 0.000 3.581) 3.597 11.015 ( -7.083 0.000 1.289) 7.200 11.288 ( 5.618 0.000 3.274) 6.503 11.389 ( -3.333 0.000 0.883) 3.448 11.398 ( 11.482 0.000 7.143) 13.522 11.619 ( -8.550 0.000 3.892) 9.394 11.676 ( 5.214 0.000 4.688) 7.011 11.778 ( -4.040 0.000 2.803) 4.917 12.045 ( 6.107 0.000 -0.285) 6.113 12.130 ( -3.004 0.000 2.229) 3.741 12.171 ( 3.022 0.000 0.670) 3.096 12.231 ( -3.160 0.000 -0.968) 3.305 12.371 ( 3.681 0.000 -4.190) 5.577 12.386 ( 6.439 0.000 -6.374) 9.061 12.446 ( -3.632 0.000 -5.438) 6.540 12.499 ( -2.739 0.000 -3.410) 4.374 12.719 ( 3.365 0.000 4.233) 5.407 12.868 ( -9.625 0.000 0.706) 9.650 13.619 ( 14.684 0.000 -1.711) 14.784 13.833 ( -1.654 0.000 -5.923) 6.150 14.123 ( -1.472 0.000 7.494) 7.637 14.150 ( -3.973 0.000 1.497) 4.246 14.546 ( 2.946 0.000 4.947) 5.758 14.681 ( -10.588 0.000 1.976) 10.771 14.837 ( 8.846 0.000 -2.873) 9.301 14.982 ( 13.277 0.000 3.801) 13.811 15.006 ( -7.331 0.000 -1.583) 7.500 15.163 ( -4.061 0.000 0.092) 4.062 16.056 ( 14.809 0.000 0.980) 14.842 16.263 ( -4.456 0.000 -3.366) 5.584 16.272 ( 6.582 0.000 1.778) 6.818 16.389 ( -3.491 0.000 -0.882) 3.600 16.987 ( -1.310 0.000 -2.001) 2.392 17.043 ( -5.633 0.000 -3.192) 6.475 17.746 ( 7.674 0.000 -1.009) 7.740 17.863 ( -3.910 0.000 -4.530) 5.984 18.163 ( 0.460 0.000 0.327) 0.565 18.186 ( -1.194 0.000 0.192) 1.209 18.211 ( 2.727 0.000 4.300) 5.092 18.276 ( 0.160 0.000 -0.550) 0.573 18.289 ( -0.951 0.000 -0.447) 1.051 18.342 ( -8.604 0.000 1.625) 8.757 18.504 ( 0.575 0.000 1.257) 1.382 18.568 ( -4.672 0.000 -0.273) 4.680 18.742 ( -1.310 0.000 0.511) 1.406 18.776 ( -4.173 0.000 -0.194) 4.177 19.316 ( 3.704 0.000 -11.180) 11.777 19.461 ( -9.966 0.000 -13.174) 16.519 19.529 ( 3.488 0.000 0.360) 3.506 19.639 ( -6.720 0.000 -2.245) 7.086 19.953 ( 3.778 0.000 13.641) 14.155 20.035 ( -3.662 0.000 10.176) 10.815 20.273 ( 10.207 0.000 8.283) 13.146 20.311 ( 7.475 0.000 4.394) 8.671 20.486 ( -8.858 0.000 4.218) 9.811 20.491 ( -10.415 0.000 8.855) 13.671 20.653 ( 6.255 0.000 -3.772) 7.305 20.742 ( 5.956 0.000 -4.138) 7.253 20.773 ( -5.070 0.000 -2.784) 5.784 20.841 ( -3.347 0.000 0.041) 3.348 21.429 ( 9.908 0.000 -1.795) 10.070 21.579 ( 2.621 0.000 -4.456) 5.170 21.658 ( 13.831 0.000 1.765) 13.943 22.089 ( -20.303 0.000 -6.239) 21.240 23.686 ( 2.276 0.000 -1.469) 2.709 23.695 ( 1.427 0.000 -1.272) 1.912 102.836 ( 0.692 0.000 0.056) 0.694 102.842 ( 0.141 0.000 -0.080) 0.162 102.865 ( 0.487 0.000 0.289) 0.566 102.888 ( -1.360 0.000 -0.263) 1.385 103.156 ( 1.138 0.000 0.033) 1.138 103.160 ( 0.592 0.000 -0.092) 0.599 103.178 ( 0.270 0.000 0.304) 0.406 103.202 ( -1.793 0.000 -0.290) 1.817 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 19.054 23.444) 30.210 0.920 ( 0.000 22.319 23.454) 32.376 1.566 ( 0.000 41.975 32.783) 53.260 2.043 ( 0.000 8.066 -14.345) 16.458 2.417 ( 0.000 -0.992 -17.804) 17.832 2.666 ( 0.000 -1.872 2.366) 3.018 2.831 ( 0.000 1.334 0.324) 1.373 2.917 ( 0.000 0.729 4.292) 4.353 3.038 ( 0.000 -16.472 -5.168) 17.264 3.126 ( 0.000 7.948 -4.926) 9.351 3.301 ( 0.000 7.168 -2.409) 7.562 3.395 ( 0.000 -2.197 6.895) 7.237 3.442 ( 0.000 -6.711 4.148) 7.890 3.731 ( 0.000 8.849 16.408) 18.642 3.915 ( 0.000 5.652 -15.339) 16.347 4.080 ( 0.000 -4.194 0.651) 4.244 4.191 ( 0.000 8.144 -2.348) 8.476 4.597 ( 0.000 4.138 -5.609) 6.970 4.694 ( 0.000 19.345 -2.475) 19.502 4.774 ( 0.000 -4.325 1.603) 4.612 4.977 ( 0.000 -4.165 3.599) 5.505 5.055 ( 0.000 5.237 9.685) 11.010 5.088 ( 0.000 2.371 0.951) 2.554 5.423 ( 0.000 29.801 -26.792) 40.074 5.542 ( 0.000 -2.805 0.746) 2.902 5.708 ( 0.000 -6.680 -4.185) 7.882 5.725 ( 0.000 -4.977 2.797) 5.709 5.726 ( 0.000 -4.243 -2.513) 4.931 5.912 ( 0.000 7.673 -8.260) 11.274 6.109 ( 0.000 0.146 -11.917) 11.918 6.238 ( 0.000 -8.603 6.104) 10.549 6.383 ( 0.000 16.719 -22.598) 28.110 6.611 ( 0.000 -13.203 -0.620) 13.217 6.722 ( 0.000 -2.234 -10.291) 10.531 7.038 ( 0.000 -7.415 -0.687) 7.447 7.121 ( 0.000 13.660 -4.625) 14.422 7.192 ( 0.000 18.714 -0.454) 18.720 7.250 ( 0.000 11.428 -0.677) 11.448 7.307 ( 0.000 3.085 2.857) 4.204 7.567 ( 0.000 -14.296 -5.347) 15.264 7.723 ( 0.000 -1.730 5.429) 5.698 7.946 ( 0.000 1.685 -1.037) 1.978 7.949 ( 0.000 5.742 -1.794) 6.016 8.049 ( 0.000 1.874 -1.492) 2.395 8.167 ( 0.000 1.870 2.447) 3.080 8.361 ( 0.000 5.501 -4.734) 7.257 8.510 ( 0.000 -8.362 2.298) 8.672 8.517 ( 0.000 -5.321 1.819) 5.624 8.818 ( 0.000 -1.386 2.682) 3.019 8.961 ( 0.000 -8.485 -2.773) 8.926 8.990 ( 0.000 1.178 9.269) 9.343 9.112 ( 0.000 -5.716 4.175) 7.079 9.118 ( 0.000 -7.546 0.221) 7.549 9.439 ( 0.000 4.666 -2.314) 5.209 9.522 ( 0.000 2.952 0.870) 3.078 9.561 ( 0.000 3.434 2.756) 4.403 9.662 ( 0.000 4.536 -3.188) 5.544 9.830 ( 0.000 -1.243 -3.343) 3.567 9.839 ( 0.000 4.467 -0.040) 4.467 9.847 ( 0.000 -0.345 -6.266) 6.276 9.933 ( 0.000 -4.167 0.776) 4.238 10.027 ( 0.000 -1.365 -3.661) 3.907 10.100 ( 0.000 -5.375 -1.476) 5.574 10.128 ( 0.000 9.084 -10.063) 13.557 10.191 ( 0.000 -3.707 3.404) 5.033 10.276 ( 0.000 2.541 -5.313) 5.890 10.349 ( 0.000 0.751 7.075) 7.115 10.442 ( 0.000 2.570 7.500) 7.928 10.718 ( 0.000 13.335 -0.790) 13.359 10.775 ( 0.000 -1.156 -4.803) 4.940 10.876 ( 0.000 -1.280 0.362) 1.330 10.893 ( 0.000 3.043 1.276) 3.300 11.167 ( 0.000 -3.805 4.741) 6.079 11.214 ( 0.000 -0.756 4.490) 4.553 11.340 ( 0.000 -3.384 4.248) 5.431 11.391 ( 0.000 -7.876 -1.551) 8.027 11.508 ( 0.000 -7.668 1.071) 7.742 11.577 ( 0.000 -2.258 -1.837) 2.911 11.738 ( 0.000 14.180 -2.436) 14.388 11.752 ( 0.000 -0.653 0.776) 1.014 11.892 ( 0.000 1.573 -3.026) 3.411 11.945 ( 0.000 4.917 -1.592) 5.169 12.032 ( 0.000 14.309 0.403) 14.314 12.137 ( 0.000 13.695 -3.926) 14.247 12.707 ( 0.000 -7.347 -1.130) 7.433 12.749 ( 0.000 -6.545 -0.819) 6.596 12.893 ( 0.000 0.825 8.486) 8.526 13.262 ( 0.000 -12.033 3.103) 12.426 13.508 ( 0.000 4.372 -8.794) 9.821 13.535 ( 0.000 -0.808 -3.628) 3.717 13.784 ( 0.000 10.889 -4.270) 11.696 14.000 ( 0.000 -1.205 -3.940) 4.120 14.203 ( 0.000 8.942 -6.199) 10.880 14.275 ( 0.000 3.483 -2.462) 4.266 14.737 ( 0.000 -2.321 3.783) 4.438 14.876 ( 0.000 -5.974 0.684) 6.013 15.225 ( 0.000 -27.282 26.959) 38.355 15.750 ( 0.000 -11.852 -2.455) 12.103 16.006 ( 0.000 -31.745 27.055) 41.710 16.170 ( 0.000 0.401 5.345) 5.360 16.278 ( 0.000 -17.755 6.608) 18.945 16.428 ( 0.000 -2.488 -7.313) 7.725 16.710 ( 0.000 -10.083 9.379) 13.771 16.713 ( 0.000 -3.838 5.324) 6.563 17.685 ( 0.000 2.566 2.506) 3.587 17.988 ( 0.000 -8.021 -3.285) 8.668 18.125 ( 0.000 -5.489 -1.691) 5.743 18.140 ( 0.000 -5.894 -1.972) 6.215 18.318 ( 0.000 3.825 6.804) 7.805 18.392 ( 0.000 5.077 -2.394) 5.613 18.573 ( 0.000 11.228 -6.426) 12.937 18.620 ( 0.000 9.115 -0.044) 9.115 19.049 ( 0.000 -1.248 2.734) 3.005 19.069 ( 0.000 -2.897 1.813) 3.418 19.094 ( 0.000 -6.335 1.402) 6.488 19.119 ( 0.000 2.276 0.534) 2.338 19.411 ( 0.000 2.315 -0.751) 2.434 19.448 ( 0.000 -0.282 3.943) 3.953 19.597 ( 0.000 -8.481 -0.835) 8.522 19.695 ( 0.000 -3.565 1.276) 3.787 19.849 ( 0.000 5.192 4.793) 7.066 19.992 ( 0.000 5.905 -5.207) 7.873 20.092 ( 0.000 6.037 -4.896) 7.773 20.279 ( 0.000 3.234 3.053) 4.448 20.397 ( 0.000 0.586 -6.920) 6.945 20.500 ( 0.000 2.167 -2.811) 3.550 20.667 ( 0.000 16.020 -7.908) 17.865 20.803 ( 0.000 6.610 -9.494) 11.568 20.903 ( 0.000 -3.301 1.183) 3.507 21.010 ( 0.000 2.233 1.573) 2.731 21.022 ( 0.000 1.889 1.245) 2.263 21.213 ( 0.000 7.574 10.735) 13.138 21.480 ( 0.000 0.427 1.547) 1.605 22.221 ( 0.000 21.289 -21.482) 30.244 23.242 ( 0.000 -10.150 3.164) 10.632 23.464 ( 0.000 -6.496 -2.704) 7.036 102.771 ( 0.000 1.148 0.634) 1.311 102.850 ( 0.000 0.548 -1.508) 1.605 102.963 ( 0.000 0.993 -0.308) 1.040 102.969 ( 0.000 4.701 -3.329) 5.761 103.091 ( 0.000 -0.114 0.314) 0.334 103.117 ( 0.000 -0.476 -0.295) 0.560 103.179 ( 0.000 -2.444 1.871) 3.078 103.216 ( 0.000 -0.922 -0.256) 0.957 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 15.527 17.803 19.849) 30.855 1.125 ( 21.924 14.210 17.403) 31.392 2.011 ( 33.537 29.085 21.984) 49.537 2.170 ( 9.958 7.380 -13.242) 18.137 2.480 ( 3.846 -0.575 -16.545) 16.996 2.610 ( -1.300 2.065 2.148) 3.251 2.874 ( -0.106 -4.055 -4.513) 6.068 2.966 ( 4.750 -0.255 6.544) 8.090 3.126 ( 7.140 -11.260 -2.649) 13.594 3.164 ( 3.483 2.301 -1.745) 4.525 3.272 ( -0.845 8.337 -0.208) 8.383 3.502 ( 9.245 -8.035 2.896) 12.587 3.587 ( 9.612 -3.373 3.893) 10.905 3.728 ( 1.706 8.729 11.367) 14.433 3.898 ( -0.743 3.236 -5.848) 6.725 4.126 ( 3.873 -4.994 -0.524) 6.341 4.194 ( 1.032 6.471 -1.411) 6.703 4.582 ( -6.009 11.666 -1.807) 13.246 4.643 ( 2.243 7.593 -6.673) 10.355 4.763 ( -6.784 2.164 5.357) 8.911 4.953 ( 6.057 -1.009 -0.241) 6.145 5.116 ( 3.847 4.772 -7.887) 9.989 5.193 ( -4.053 21.210 -7.052) 22.716 5.313 ( 1.210 13.833 -6.136) 15.181 5.574 ( 3.421 -3.413 0.687) 4.881 5.628 ( -5.479 -4.641 -2.440) 7.583 5.709 ( -2.336 -1.391 -2.818) 3.916 5.774 ( 1.560 -2.965 1.501) 3.671 5.926 ( 2.653 2.568 -4.383) 5.731 6.076 ( -1.855 3.119 -3.764) 5.229 6.201 ( -5.594 3.233 -3.170) 7.197 6.274 ( 3.477 -8.094 5.379) 10.321 6.650 ( 3.362 -11.855 -1.647) 12.432 6.718 ( -3.281 -1.857 -7.851) 8.710 6.944 ( -15.252 15.307 -1.897) 21.691 7.033 ( -3.100 0.403 -0.138) 3.129 7.099 ( -6.978 -0.188 -0.298) 6.987 7.166 ( -5.824 12.252 -4.338) 14.243 7.310 ( -1.624 -0.539 3.852) 4.215 7.615 ( 1.475 -8.064 -5.638) 9.949 7.737 ( 1.535 1.671 -2.067) 3.069 7.883 ( -0.895 -1.034 -1.492) 2.024 7.998 ( 2.356 5.063 -1.641) 5.820 8.065 ( 0.382 2.689 -0.317) 2.734 8.219 ( 2.794 2.596 4.204) 5.676 8.291 ( -4.584 1.252 -3.221) 5.741 8.410 ( -5.027 -7.906 1.965) 9.572 8.597 ( 1.509 -5.776 -2.197) 6.361 8.710 ( -10.565 -4.956 0.615) 11.686 8.830 ( -9.009 -6.081 -0.637) 10.888 8.934 ( -7.007 -3.256 11.066) 13.497 9.072 ( -0.996 4.749 1.741) 5.155 9.100 ( -2.071 -6.003 0.410) 6.363 9.325 ( -11.696 1.601 1.329) 11.880 9.393 ( -12.329 3.481 3.693) 13.333 9.453 ( -8.321 3.934 -0.511) 9.218 9.488 ( -6.940 1.011 1.012) 7.086 9.691 ( -7.920 2.535 -2.230) 8.610 9.714 ( -7.728 9.045 -3.612) 12.433 9.883 ( -1.677 4.383 -11.283) 12.220 9.994 ( -1.372 -0.376 -0.074) 1.424 10.029 ( 2.072 -5.011 -0.016) 5.423 10.136 ( 3.959 -5.011 -3.959) 7.514 10.225 ( 1.159 -0.955 2.381) 2.815 10.237 ( 9.460 0.271 -5.366) 10.879 10.313 ( 8.142 -5.570 3.202) 10.371 10.439 ( 7.478 3.237 2.126) 8.421 10.521 ( -0.742 0.616 2.470) 2.652 10.714 ( -1.534 9.147 2.567) 9.624 10.818 ( 0.506 3.692 -0.214) 3.732 10.942 ( 9.809 -5.043 -3.086) 11.453 10.958 ( 3.999 -1.426 1.361) 4.458 11.121 ( -2.323 -4.695 5.575) 7.650 11.244 ( 1.057 -9.563 0.082) 9.621 11.307 ( 2.446 6.580 2.861) 7.581 11.514 ( -0.853 -0.207 1.300) 1.568 11.572 ( 7.860 2.662 -1.638) 8.459 11.605 ( 2.626 -3.063 -2.981) 5.016 11.740 ( 6.785 6.832 4.950) 10.827 11.818 ( 5.677 0.482 1.742) 5.958 11.951 ( 4.731 -1.327 0.585) 4.948 11.958 ( 2.646 6.598 2.021) 7.390 12.127 ( 7.333 9.741 -1.979) 12.352 12.253 ( 6.554 7.203 -6.309) 11.603 12.608 ( -7.300 -7.011 -1.424) 10.221 12.688 ( -5.165 -3.977 -2.882) 7.127 12.881 ( -1.310 0.274 9.625) 9.718 13.338 ( 0.213 -6.566 -1.384) 6.714 13.423 ( -2.480 1.119 -3.158) 4.169 13.544 ( -0.065 3.818 -8.209) 9.054 13.821 ( 7.080 9.726 -0.729) 12.052 14.051 ( 3.251 -0.917 0.421) 3.404 14.322 ( 4.119 2.687 -3.539) 6.059 14.369 ( 15.681 5.534 -10.986) 19.931 14.692 ( -4.057 -1.975 4.125) 6.114 14.817 ( -8.196 -8.209 8.400) 14.322 15.088 ( -8.587 -17.272 24.963) 31.547 15.550 ( -9.980 -2.171 14.006) 17.334 15.839 ( 0.402 -11.314 -2.228) 11.539 16.013 ( -15.014 -9.594 1.132) 17.853 16.174 ( -2.296 0.708 4.637) 5.222 16.466 ( -2.829 -2.662 -3.209) 5.038 16.772 ( 9.279 -8.684 1.643) 12.814 17.112 ( 12.905 -23.385 2.423) 26.819 17.647 ( -3.209 3.528 2.677) 5.469 17.924 ( -5.452 -7.499 -3.426) 9.884 18.096 ( -1.976 -9.024 -0.605) 9.257 18.112 ( -2.207 -5.384 -0.927) 5.892 18.289 ( -0.959 5.239 3.914) 6.610 18.427 ( 1.484 4.420 -0.282) 4.671 18.507 ( -2.393 11.846 -1.323) 12.157 18.715 ( 2.637 6.142 -7.396) 9.968 18.940 ( -7.101 -3.305 1.504) 7.976 19.003 ( -5.420 -2.416 1.569) 6.138 19.099 ( -1.475 2.302 -0.005) 2.734 19.153 ( 0.231 0.865 1.078) 1.401 19.406 ( -3.089 -0.542 3.552) 4.738 19.467 ( 5.398 -1.112 1.568) 5.730 19.583 ( -4.143 -6.674 3.468) 8.587 19.777 ( 8.520 -5.445 -0.288) 10.116 19.879 ( 3.721 5.211 3.790) 7.441 20.043 ( -0.767 4.997 -5.506) 7.475 20.090 ( 2.861 5.284 -6.815) 9.085 20.256 ( -1.636 1.615 0.225) 2.310 20.398 ( -1.521 4.728 -3.587) 6.127 20.518 ( 1.744 5.155 -2.969) 6.199 20.644 ( 1.240 6.865 -1.685) 7.177 20.711 ( -4.750 10.044 -2.950) 11.495 20.899 ( -0.200 -2.474 -0.208) 2.491 20.964 ( -0.613 3.105 4.083) 5.166 21.013 ( -0.663 4.634 -0.432) 4.701 21.158 ( -3.958 6.452 9.669) 12.279 21.546 ( 5.447 0.622 3.627) 6.573 22.527 ( 14.421 2.321 -23.239) 27.448 23.277 ( 3.539 -9.240 2.411) 10.184 23.496 ( 1.980 -8.126 -5.222) 9.861 102.778 ( 0.642 1.140 0.569) 1.427 102.849 ( -0.130 0.766 -1.428) 1.626 102.939 ( -1.945 4.036 -0.636) 4.525 102.959 ( -0.427 1.171 -0.409) 1.312 103.096 ( 0.496 -0.219 0.238) 0.592 103.110 ( -0.382 -0.447 0.195) 0.620 103.148 ( -0.240 -0.946 2.124) 2.337 103.262 ( 1.082 -2.564 -1.898) 3.368 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 25.331 7.367 8.806) 27.812 1.661 ( 27.976 6.094 12.179) 31.115 2.386 ( 9.836 4.723 -7.712) 13.362 2.480 ( 2.301 2.625 0.527) 3.530 2.618 ( 4.462 9.023 -15.031) 18.090 2.735 ( 19.139 10.544 11.945) 24.903 2.876 ( 4.597 -4.066 -5.592) 8.302 3.034 ( 0.238 -1.529 5.308) 5.529 3.197 ( 5.212 -4.166 0.273) 6.678 3.262 ( 1.252 2.626 0.561) 2.963 3.412 ( 13.518 1.985 2.368) 13.866 3.649 ( 4.258 -1.195 9.810) 10.761 3.726 ( 6.222 4.796 0.564) 7.876 3.843 ( 4.261 6.562 4.071) 8.820 3.914 ( 1.757 -4.526 -3.933) 6.249 4.217 ( 4.004 -0.359 0.744) 4.089 4.260 ( 2.366 -0.697 1.246) 2.764 4.464 ( -1.471 11.809 -2.623) 12.186 4.648 ( -1.916 7.062 -6.191) 9.585 4.662 ( -2.707 2.117 -1.770) 3.866 5.025 ( 3.231 19.047 -8.624) 21.156 5.045 ( 1.260 -1.250 0.745) 1.925 5.339 ( 8.944 7.713 -3.902) 12.438 5.374 ( -0.925 1.491 -7.568) 7.769 5.524 ( -1.516 -3.393 2.472) 4.463 5.637 ( 0.979 -4.371 1.562) 4.744 5.698 ( 2.669 2.005 3.079) 4.542 5.836 ( 6.791 -5.068 -0.231) 8.477 6.013 ( 4.608 -1.038 -1.085) 4.846 6.091 ( 1.998 5.902 0.116) 6.232 6.187 ( 2.985 0.126 1.159) 3.205 6.384 ( 6.036 -7.817 2.232) 10.125 6.515 ( -13.590 8.608 3.215) 16.405 6.669 ( -8.736 3.214 -6.442) 11.321 6.710 ( -0.157 -9.850 -3.190) 10.355 6.890 ( -10.545 1.541 -3.713) 11.286 6.959 ( -3.883 2.206 2.330) 5.037 7.055 ( -4.461 3.655 -2.850) 6.433 7.274 ( -0.177 -5.396 6.504) 8.452 7.539 ( -6.921 -1.419 -2.922) 7.646 7.778 ( -0.107 -7.385 -5.333) 9.110 7.932 ( 3.115 2.417 -8.394) 9.274 8.029 ( -0.065 6.101 3.804) 7.190 8.051 ( 0.313 3.924 -0.837) 4.024 8.136 ( -7.610 -1.408 -2.612) 8.168 8.239 ( -11.703 -6.858 0.052) 13.565 8.329 ( 0.656 -4.205 0.813) 4.333 8.453 ( -10.650 -5.146 -0.754) 11.852 8.493 ( -7.573 -3.394 4.319) 9.356 8.663 ( -8.544 -1.270 -3.931) 9.491 8.789 ( -6.327 -3.971 8.782) 11.530 9.004 ( -7.974 0.193 -0.145) 7.978 9.037 ( -3.550 2.245 1.999) 4.652 9.091 ( -7.659 4.450 0.837) 8.898 9.147 ( -8.708 -4.971 3.202) 10.526 9.274 ( -7.814 6.598 0.322) 10.233 9.305 ( -12.635 -0.547 1.776) 12.771 9.503 ( -9.376 1.447 -5.116) 10.778 9.665 ( 4.061 7.473 -0.437) 8.517 9.797 ( -5.759 1.889 -11.601) 13.089 9.974 ( -5.741 -4.797 -0.082) 7.481 10.035 ( 4.380 1.462 1.186) 4.767 10.239 ( 4.696 -2.277 -5.341) 7.467 10.307 ( 5.847 -4.256 1.820) 7.457 10.404 ( 2.840 -1.177 -3.834) 4.915 10.442 ( 5.517 -1.706 0.053) 5.775 10.526 ( 0.872 1.302 2.992) 3.377 10.613 ( 9.110 -1.201 0.475) 9.202 10.679 ( 1.077 2.529 8.077) 8.532 10.821 ( -0.461 6.807 0.799) 6.869 11.022 ( 3.037 -3.737 1.392) 5.012 11.067 ( -0.291 -1.768 2.961) 3.461 11.125 ( 3.069 -2.105 1.516) 4.019 11.245 ( 0.181 -8.627 1.990) 8.856 11.409 ( 1.412 2.419 -0.744) 2.898 11.516 ( 3.956 10.193 -2.897) 11.311 11.609 ( 3.583 9.243 2.177) 10.150 11.727 ( 3.679 -9.474 0.327) 10.168 11.877 ( 2.789 5.241 2.926) 6.619 11.971 ( 7.915 2.107 1.888) 8.406 12.084 ( 10.065 1.432 2.505) 10.471 12.128 ( 8.786 1.960 -0.716) 9.031 12.254 ( 4.620 1.408 3.015) 5.694 12.349 ( 3.104 4.601 -1.837) 5.846 12.452 ( -6.861 -4.692 -1.614) 8.467 12.586 ( -3.660 -1.694 -4.891) 6.339 12.839 ( -2.502 0.890 10.103) 10.446 13.237 ( -6.758 0.867 -5.319) 8.643 13.371 ( -2.746 3.936 -2.614) 5.465 13.595 ( 5.755 7.142 -11.748) 14.904 14.109 ( 2.284 -0.256 1.193) 2.589 14.141 ( 20.382 0.562 3.278) 20.652 14.425 ( 4.070 1.394 -2.423) 4.938 14.558 ( -5.297 -3.330 5.762) 8.506 14.620 ( -6.142 -3.011 12.439) 14.196 14.784 ( 19.100 0.614 -15.389) 24.536 15.001 ( -2.775 -8.417 6.046) 10.729 15.481 ( -6.484 -7.220 5.746) 11.278 15.522 ( -13.323 -6.927 6.495) 16.361 16.010 ( 6.909 -8.219 -3.151) 11.190 16.160 ( 0.345 3.340 3.292) 4.702 16.423 ( -1.217 -1.357 -2.179) 2.841 16.920 ( 4.433 -11.525 0.520) 12.359 17.202 ( -1.933 -15.142 -1.325) 15.322 17.582 ( -2.100 4.693 2.599) 5.761 17.804 ( -5.292 -9.610 -4.019) 11.684 18.054 ( -2.168 -10.756 0.500) 10.984 18.066 ( -2.000 -6.420 0.625) 6.753 18.276 ( -0.505 5.037 2.921) 5.845 18.448 ( 0.712 5.139 -0.241) 5.194 18.475 ( -0.783 11.338 -0.207) 11.367 18.698 ( -4.084 7.339 -2.864) 8.874 18.801 ( -5.373 -1.661 -2.988) 6.368 18.870 ( -7.114 -0.313 -0.564) 7.143 19.036 ( -4.487 5.788 -1.043) 7.397 19.078 ( -6.692 6.192 -0.167) 9.119 19.318 ( -4.798 -2.168 2.071) 5.657 19.488 ( -3.455 -5.351 4.859) 8.011 19.633 ( 7.923 -8.346 3.381) 11.994 19.865 ( -0.494 -1.753 1.613) 2.433 19.938 ( -2.248 4.671 -0.253) 5.190 20.005 ( -1.900 5.776 -1.099) 6.179 20.138 ( 0.528 1.411 -6.439) 6.612 20.262 ( 5.694 1.055 -4.661) 7.434 20.379 ( 1.065 7.527 0.725) 7.636 20.561 ( 1.018 5.287 -4.590) 7.075 20.686 ( 1.225 -3.156 1.497) 3.702 20.712 ( 3.149 1.044 10.181) 10.708 20.887 ( -1.234 -2.013 -0.916) 2.533 20.994 ( -0.912 5.172 0.577) 5.284 21.034 ( 5.712 2.136 -0.022) 6.099 21.087 ( 1.278 14.693 3.145) 15.080 21.653 ( 3.859 0.551 5.219) 6.514 22.639 ( -2.607 -1.113 -15.190) 15.453 23.385 ( 6.345 -8.911 0.509) 10.950 23.524 ( 1.128 -8.153 -4.553) 9.407 102.797 ( 1.154 1.124 0.392) 1.658 102.847 ( 0.007 1.004 -1.135) 1.516 102.906 ( -1.253 2.584 0.759) 2.970 102.946 ( -0.822 1.075 -0.395) 1.410 103.108 ( 0.568 -0.431 0.223) 0.747 103.114 ( 0.845 -0.516 0.020) 0.991 103.154 ( 0.497 -0.953 1.275) 1.668 103.257 ( -1.150 -2.140 -1.462) 2.836 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 22.717 0.267 2.947) 22.909 2.225 ( 24.024 -0.424 7.749) 25.246 2.507 ( 1.534 8.487 2.081) 8.872 2.544 ( 5.827 1.696 -0.640) 6.102 2.668 ( 3.486 2.964 -10.732) 11.667 2.909 ( -0.054 -0.603 1.642) 1.750 2.970 ( 2.502 -0.610 1.738) 3.107 3.094 ( 2.424 -1.148 0.245) 2.693 3.222 ( 2.294 -5.025 2.513) 6.069 3.409 ( 7.732 2.408 -2.250) 8.405 3.701 ( -0.729 3.971 7.821) 8.802 3.745 ( 15.073 1.535 -0.395) 15.156 3.824 ( 2.244 1.234 -4.923) 5.549 3.871 ( 0.280 3.761 1.629) 4.108 3.941 ( 2.224 4.663 0.155) 5.168 4.144 ( -6.514 5.351 1.554) 8.572 4.207 ( -5.303 11.986 -0.769) 13.130 4.564 ( 1.956 -0.083 -3.303) 3.840 4.609 ( 2.928 10.347 -0.016) 10.754 4.781 ( 9.958 -10.774 0.281) 14.674 5.058 ( -0.005 1.671 -0.463) 1.734 5.173 ( 1.229 7.346 -5.187) 9.077 5.262 ( 1.076 7.566 -3.246) 8.303 5.449 ( 0.345 10.217 -5.694) 11.702 5.614 ( 8.271 -4.032 -0.734) 9.231 5.718 ( 5.152 0.343 4.131) 6.612 5.773 ( 7.222 -6.491 1.923) 9.899 5.965 ( -7.122 7.614 6.345) 12.205 6.054 ( 8.690 0.830 -4.842) 9.982 6.156 ( 5.972 2.538 1.283) 6.615 6.253 ( -0.183 3.590 3.959) 5.348 6.354 ( -3.102 6.372 0.411) 7.099 6.451 ( 2.127 -6.136 -1.446) 6.653 6.608 ( 2.117 -5.517 1.534) 6.105 6.635 ( -5.090 -11.858 -1.294) 12.969 6.699 ( -4.562 -4.366 -6.753) 9.245 6.977 ( 5.954 1.950 -3.915) 7.388 6.995 ( -1.861 3.361 0.316) 3.855 7.295 ( -0.966 -11.117 3.006) 11.556 7.397 ( -2.768 3.497 3.021) 5.387 7.711 ( -6.524 -5.806 -3.070) 9.258 7.874 ( -13.694 -5.569 -0.922) 14.811 7.882 ( -10.359 2.061 -0.850) 10.596 7.962 ( -10.898 -2.165 -2.004) 11.290 8.019 ( 1.500 4.686 2.555) 5.544 8.116 ( -7.083 -3.639 -3.922) 8.876 8.185 ( -0.078 -0.596 -2.696) 2.762 8.411 ( -1.730 -1.871 -3.283) 4.156 8.421 ( -1.779 -1.498 5.350) 5.834 8.457 ( -6.702 2.639 6.245) 9.534 8.691 ( -2.060 -4.152 2.710) 5.369 8.845 ( -5.827 0.232 -1.413) 6.000 8.930 ( -5.500 0.163 1.564) 5.721 9.000 ( -3.031 4.748 2.275) 6.074 9.012 ( -6.262 -3.795 1.084) 7.402 9.037 ( -9.982 1.304 0.853) 10.103 9.138 ( -5.759 -0.372 0.363) 5.783 9.334 ( -6.774 -0.351 -4.915) 8.377 9.650 ( -7.176 1.425 -9.387) 11.901 9.783 ( -1.159 -1.331 -8.521) 8.701 9.864 ( 2.926 -0.492 4.042) 5.014 10.158 ( 6.413 2.105 1.915) 7.016 10.325 ( 3.960 2.158 -6.136) 7.615 10.403 ( 1.098 -6.624 1.495) 6.879 10.441 ( 1.270 -1.921 -2.957) 3.747 10.489 ( 0.180 -0.174 2.993) 3.004 10.539 ( 1.998 -1.831 1.256) 2.987 10.754 ( 5.424 0.979 5.547) 7.820 10.763 ( -2.625 8.596 -2.703) 9.386 10.814 ( 5.787 -0.616 2.068) 6.177 11.016 ( -3.458 2.212 3.758) 5.565 11.133 ( 5.949 -3.598 0.783) 6.996 11.171 ( 0.491 -0.208 0.396) 0.664 11.236 ( 0.861 1.062 3.502) 3.760 11.381 ( -1.871 -3.545 2.103) 4.527 11.583 ( 2.420 5.514 1.617) 6.235 11.696 ( 0.266 -5.434 -1.907) 5.765 11.790 ( 1.722 2.419 -0.587) 3.027 11.955 ( 6.762 6.114 5.026) 10.410 12.108 ( 4.937 1.869 1.654) 5.532 12.169 ( -0.335 -1.650 -0.523) 1.763 12.271 ( 4.243 1.758 -0.189) 4.596 12.313 ( -2.017 2.177 -0.259) 2.979 12.342 ( -1.852 0.002 -0.842) 2.035 12.393 ( 2.325 -1.280 -0.893) 2.800 12.593 ( 3.235 3.073 -4.158) 6.099 12.788 ( -2.421 3.564 6.790) 8.042 13.084 ( -8.030 1.337 -1.975) 8.377 13.402 ( 7.424 5.362 -1.785) 9.330 13.766 ( 9.103 6.425 -11.066) 15.704 14.141 ( 1.095 0.844 2.566) 2.914 14.309 ( -8.468 -1.739 2.151) 8.908 14.517 ( -0.941 -1.131 10.058) 10.165 14.584 ( 16.823 -3.550 2.507) 17.375 14.662 ( 8.944 0.106 -1.399) 9.053 14.857 ( -10.783 -9.346 0.878) 14.297 15.090 ( 6.764 -3.085 -8.202) 11.070 15.163 ( -8.822 -1.344 -1.543) 9.056 15.660 ( 13.520 -5.839 10.096) 17.855 16.133 ( 3.808 -7.707 -2.914) 9.077 16.201 ( 3.880 0.506 1.076) 4.058 16.416 ( 0.180 -0.564 -2.122) 2.203 16.931 ( -2.947 -12.583 0.554) 12.935 17.102 ( -6.593 -9.887 -2.589) 12.162 17.594 ( 3.313 2.138 -0.064) 3.944 17.725 ( -2.220 -9.860 -4.148) 10.925 18.004 ( -2.430 -9.478 2.488) 10.096 18.031 ( -1.366 -8.807 1.450) 9.029 18.268 ( -0.176 4.818 2.704) 5.528 18.455 ( -1.202 10.034 -0.262) 10.109 18.472 ( 0.816 6.575 0.069) 6.626 18.581 ( -5.292 1.656 2.638) 6.141 18.708 ( -4.801 8.201 -6.305) 11.404 18.727 ( -5.771 3.297 -1.085) 6.734 18.916 ( -6.704 10.089 -0.028) 12.114 18.929 ( -6.409 4.859 -0.261) 8.047 19.239 ( -2.110 -4.310 -3.564) 5.978 19.428 ( -2.611 -5.992 0.896) 6.597 19.688 ( -4.435 -4.973 -3.784) 7.663 19.750 ( -8.028 -1.911 -3.147) 8.832 19.950 ( 4.488 3.469 8.853) 10.514 19.988 ( 2.532 3.307 2.752) 4.992 20.117 ( -1.870 1.322 3.193) 3.929 20.406 ( 3.231 12.119 1.497) 12.631 20.447 ( 5.957 -4.629 -4.014) 8.545 20.555 ( -2.268 -3.269 -0.319) 3.992 20.673 ( 0.101 2.361 4.199) 4.818 20.743 ( -1.206 1.643 4.908) 5.314 20.847 ( -2.328 -0.551 -0.810) 2.525 20.925 ( -2.962 3.642 5.355) 7.122 21.215 ( 10.424 1.109 -3.174) 10.953 21.301 ( 15.853 11.707 -3.975) 20.104 21.688 ( -0.361 1.521 4.725) 4.977 22.466 ( -13.145 1.139 -10.024) 16.570 23.515 ( 5.568 -9.087 -0.797) 10.687 23.561 ( 2.448 -8.238 -2.288) 8.894 102.824 ( 1.379 1.125 0.166) 1.787 102.850 ( 0.261 1.160 -0.715) 1.388 102.885 ( -0.846 1.668 0.841) 2.051 102.925 ( -1.192 1.049 -0.379) 1.633 103.124 ( 1.000 -0.630 0.179) 1.196 103.135 ( 0.974 -0.698 -0.161) 1.209 103.163 ( 0.320 -1.018 0.759) 1.309 103.225 ( -1.763 -1.674 -0.793) 2.558 ======================= Grid point 76 (30/60) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 10.476 -2.447 1.243) 10.830 2.458 ( 0.353 -0.441 0.962) 1.115 2.581 ( 6.349 7.562 1.674) 10.015 2.695 ( -0.207 -0.433 3.953) 3.982 2.829 ( 12.749 -2.852 -1.361) 13.135 2.866 ( 3.658 0.811 -0.357) 3.764 2.965 ( -4.861 -3.671 1.489) 6.271 3.070 ( -4.611 -0.468 -5.224) 6.983 3.355 ( 9.012 -5.030 3.111) 10.779 3.522 ( -2.304 0.075 0.908) 2.478 3.637 ( 1.777 5.030 5.955) 7.995 3.756 ( -4.752 -2.359 -2.516) 5.871 3.857 ( -0.739 -0.902 -0.171) 1.179 3.877 ( -4.943 5.720 -0.239) 7.564 3.984 ( 3.798 1.530 -5.337) 6.727 4.052 ( -3.247 4.072 -5.793) 7.790 4.299 ( 10.993 17.307 3.433) 20.788 4.490 ( -6.727 13.888 -2.078) 15.571 4.720 ( 7.457 6.322 1.086) 9.837 4.889 ( -3.455 -4.052 -4.616) 7.047 5.055 ( 0.445 -1.909 1.517) 2.479 5.071 ( -2.809 2.160 6.693) 7.573 5.391 ( 4.324 13.434 -7.280) 15.880 5.435 ( -0.968 10.663 -4.267) 11.526 5.761 ( 4.422 -0.912 2.136) 4.995 5.815 ( -0.645 0.681 2.992) 3.135 5.858 ( 5.969 -5.083 -1.278) 7.943 5.981 ( 6.587 2.433 4.171) 8.167 6.028 ( -6.505 -0.368 -5.478) 8.513 6.172 ( -8.619 4.718 -0.796) 9.858 6.349 ( 5.489 -1.156 5.601) 7.927 6.393 ( 14.547 -0.400 -4.826) 15.332 6.477 ( -5.966 -7.546 5.162) 10.917 6.595 ( 6.127 2.522 2.578) 7.109 6.672 ( 0.049 -14.621 -4.808) 15.392 6.703 ( 0.146 -13.522 -6.241) 14.893 6.934 ( -1.228 0.611 3.527) 3.784 7.053 ( -4.995 4.347 4.235) 7.860 7.318 ( 9.889 -2.497 -1.641) 10.331 7.473 ( 5.496 1.418 -1.357) 5.836 7.527 ( -8.566 -3.065 -0.065) 9.098 7.614 ( -6.629 -3.176 -0.727) 7.387 7.719 ( -7.495 -5.681 -2.844) 9.825 7.749 ( -9.224 -5.282 -1.534) 10.739 7.944 ( -0.398 4.969 -0.367) 4.999 8.059 ( -3.072 0.426 -1.993) 3.686 8.170 ( -2.009 1.414 7.077) 7.491 8.244 ( -6.543 2.211 7.795) 10.415 8.451 ( 6.912 -2.163 0.828) 7.289 8.532 ( 3.568 -1.045 -1.931) 4.189 8.664 ( -1.274 -2.209 2.048) 3.271 8.700 ( -7.496 0.362 0.247) 7.508 8.851 ( -2.177 1.689 1.509) 3.141 8.866 ( -4.071 1.198 0.554) 4.280 8.937 ( -1.831 -0.521 0.801) 2.065 8.958 ( -2.726 0.875 0.383) 2.889 9.091 ( 3.020 -4.675 -1.427) 5.746 9.203 ( -6.266 -1.797 -3.285) 7.300 9.564 ( 0.284 0.324 -8.427) 8.438 9.649 ( -6.726 -3.510 -8.022) 11.041 10.062 ( 11.189 1.763 0.973) 11.369 10.258 ( -2.011 -1.528 0.068) 2.527 10.307 ( -0.948 0.062 0.027) 0.950 10.388 ( -3.650 -3.713 1.903) 5.544 10.466 ( 4.181 1.182 -4.802) 6.476 10.518 ( 0.250 -0.273 -0.770) 0.854 10.599 ( 3.575 -0.712 -0.444) 3.672 10.678 ( -3.997 3.309 -2.802) 5.897 10.859 ( 4.137 4.134 4.279) 7.247 10.920 ( 1.747 4.008 1.580) 4.649 10.951 ( -0.016 2.557 2.960) 3.912 11.057 ( -6.314 3.171 1.197) 7.166 11.248 ( 3.126 -1.921 1.595) 4.001 11.306 ( -1.376 -5.409 0.477) 5.602 11.420 ( 9.697 -2.190 4.488) 10.907 11.607 ( -4.536 -3.595 -0.455) 5.806 11.665 ( 1.041 0.401 3.933) 4.088 11.737 ( -4.413 2.518 3.365) 6.093 12.108 ( 5.003 3.668 1.045) 6.291 12.153 ( -0.661 -1.837 2.220) 2.956 12.173 ( 1.699 -1.583 -0.701) 2.426 12.219 ( -3.072 3.150 -2.106) 4.878 12.333 ( 0.858 0.588 -2.690) 2.884 12.351 ( 0.033 1.228 -0.888) 1.516 12.474 ( 6.709 3.406 -3.989) 8.516 12.608 ( -3.834 4.512 -4.347) 7.346 12.775 ( 3.211 4.660 4.079) 6.976 12.907 ( -8.384 3.558 1.413) 9.217 13.647 ( 13.737 3.001 -1.886) 14.187 13.862 ( -3.482 2.914 -6.504) 7.932 14.153 ( -0.551 3.112 6.843) 7.537 14.166 ( -2.017 1.556 0.492) 2.594 14.517 ( 1.486 -2.731 5.064) 5.942 14.613 ( -8.274 -6.599 2.695) 10.921 14.824 ( 8.717 -1.531 -3.329) 9.456 14.919 ( 6.534 -5.005 1.319) 8.335 15.034 ( -1.653 1.934 0.255) 2.557 15.125 ( -3.395 -3.238 0.351) 4.704 15.967 ( 13.405 -8.424 1.118) 15.872 16.148 ( -3.433 -9.235 -2.102) 10.074 16.299 ( 5.362 0.496 0.293) 5.393 16.397 ( -2.943 0.175 -1.173) 3.173 16.877 ( 0.081 -10.795 -0.865) 10.830 16.958 ( -6.550 -9.545 -2.757) 11.900 17.673 ( 2.964 -4.205 -3.081) 5.997 17.704 ( -0.424 -6.986 -3.516) 7.832 17.975 ( 0.284 -9.334 3.290) 9.901 18.003 ( -1.545 -9.316 2.090) 9.671 18.278 ( 1.650 4.804 2.916) 5.857 18.360 ( -5.990 5.020 2.797) 8.301 18.511 ( 2.900 7.394 -1.123) 8.022 18.554 ( 1.333 6.267 -0.518) 6.428 18.603 ( -4.002 9.365 -1.884) 10.357 18.632 ( -4.025 7.047 -0.310) 8.121 18.813 ( -2.439 9.395 0.506) 9.720 18.823 ( -3.228 7.047 0.423) 7.763 19.249 ( 3.236 -5.167 -9.319) 11.136 19.353 ( -5.329 -6.702 -7.985) 11.708 19.578 ( -1.755 0.605 -3.798) 4.228 19.624 ( -4.758 -2.036 -2.166) 5.610 19.998 ( 2.395 3.586 10.428) 11.284 20.058 ( -2.938 2.195 8.888) 9.615 20.159 ( 9.736 -4.294 6.430) 12.433 20.361 ( -8.587 -5.795 3.949) 11.087 20.498 ( 3.022 9.650 5.224) 11.382 20.554 ( -0.641 2.077 4.116) 4.655 20.698 ( 1.873 2.833 1.587) 3.749 20.741 ( 0.432 0.455 -4.610) 4.652 20.807 ( 0.173 3.783 -1.610) 4.115 20.867 ( -3.268 3.042 0.762) 4.529 21.423 ( 9.033 -0.805 -1.801) 9.246 21.553 ( -0.544 -2.823 -3.231) 4.325 21.755 ( 14.725 10.079 0.258) 17.846 22.131 ( -18.265 4.768 -6.003) 19.808 23.598 ( 2.242 -9.039 -1.262) 9.398 23.606 ( 1.291 -8.879 -1.346) 9.072 102.848 ( 0.799 1.230 0.059) 1.468 102.857 ( 0.135 1.443 -0.188) 1.462 102.875 ( 0.335 1.018 0.346) 1.126 102.898 ( -1.388 1.003 -0.252) 1.731 103.147 ( 1.049 -0.861 0.039) 1.358 103.151 ( 0.533 -0.860 -0.084) 1.015 103.168 ( 0.239 -1.042 0.282) 1.105 103.189 ( -1.620 -1.286 -0.250) 2.084 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 23.723 15.060) 28.099 1.431 ( 0.000 28.007 9.824) 29.680 2.143 ( 0.000 2.788 -9.180) 9.594 2.253 ( 0.000 13.812 1.796) 13.928 2.426 ( 0.000 1.058 -8.021) 8.091 2.633 ( 0.000 -20.488 -3.380) 20.765 2.679 ( 0.000 14.106 8.825) 16.639 2.847 ( 0.000 -2.844 1.830) 3.382 2.930 ( 0.000 -4.640 2.180) 5.127 3.144 ( 0.000 -8.030 9.622) 12.533 3.218 ( 0.000 -7.394 3.640) 8.242 3.330 ( 0.000 2.448 2.427) 3.447 3.671 ( 0.000 17.609 -5.358) 18.406 3.765 ( 0.000 -0.895 0.431) 0.993 4.013 ( 0.000 -1.182 3.022) 3.245 4.297 ( 0.000 15.118 -5.103) 15.956 4.376 ( 0.000 19.727 -3.452) 20.027 4.667 ( 0.000 -3.917 -0.486) 3.947 4.743 ( 0.000 9.261 -2.207) 9.520 4.809 ( 0.000 -3.168 5.149) 6.046 5.068 ( 0.000 8.636 -5.119) 10.039 5.195 ( 0.000 9.109 5.020) 10.400 5.329 ( 0.000 21.078 3.250) 21.327 5.514 ( 0.000 0.375 0.182) 0.416 5.523 ( 0.000 -3.473 -5.124) 6.190 5.576 ( 0.000 -5.742 -1.829) 6.026 5.644 ( 0.000 -1.419 3.870) 4.122 5.693 ( 0.000 -0.285 0.995) 1.035 6.018 ( 0.000 -0.430 -2.132) 2.175 6.035 ( 0.000 -10.431 0.010) 10.431 6.077 ( 0.000 -4.133 -7.541) 8.600 6.336 ( 0.000 -13.203 0.620) 13.218 6.476 ( 0.000 -20.782 1.772) 20.857 6.572 ( 0.000 -0.344 -20.156) 20.159 6.950 ( 0.000 -0.189 -3.337) 3.343 7.168 ( 0.000 -13.294 -4.989) 14.199 7.301 ( 0.000 1.830 1.499) 2.365 7.418 ( 0.000 5.428 -6.941) 8.811 7.571 ( 0.000 16.882 0.547) 16.890 7.660 ( 0.000 19.742 -3.175) 19.996 7.782 ( 0.000 7.804 3.729) 8.649 7.983 ( 0.000 -2.389 -3.600) 4.321 7.995 ( 0.000 3.135 -1.338) 3.409 8.111 ( 0.000 1.719 -1.718) 2.430 8.187 ( 0.000 1.868 3.192) 3.699 8.370 ( 0.000 -6.872 0.095) 6.873 8.405 ( 0.000 -1.137 5.132) 5.257 8.444 ( 0.000 -1.540 2.443) 2.888 8.678 ( 0.000 -8.339 -3.426) 9.015 8.740 ( 0.000 -12.623 -2.811) 12.932 8.919 ( 0.000 -3.159 6.742) 7.445 8.963 ( 0.000 -7.098 -0.307) 7.104 9.272 ( 0.000 12.174 -4.012) 12.818 9.513 ( 0.000 1.585 -3.482) 3.826 9.581 ( 0.000 2.443 2.013) 3.166 9.694 ( 0.000 4.724 -1.234) 4.882 9.766 ( 0.000 -3.081 0.314) 3.097 9.783 ( 0.000 9.931 -1.319) 10.018 9.814 ( 0.000 -2.365 0.331) 2.388 9.830 ( 0.000 0.288 -1.898) 1.919 9.903 ( 0.000 -0.892 2.372) 2.534 9.988 ( 0.000 -5.294 1.200) 5.428 10.023 ( 0.000 0.832 -0.553) 0.999 10.170 ( 0.000 1.798 2.039) 2.719 10.226 ( 0.000 2.694 0.322) 2.713 10.345 ( 0.000 0.048 5.350) 5.350 10.383 ( 0.000 5.321 -19.599) 20.308 10.494 ( 0.000 3.311 9.191) 9.769 10.699 ( 0.000 -5.754 -5.807) 8.175 10.788 ( 0.000 -5.215 -2.019) 5.592 10.912 ( 0.000 -9.931 2.076) 10.146 11.009 ( 0.000 -9.483 4.838) 10.646 11.030 ( 0.000 -0.200 -0.410) 0.456 11.064 ( 0.000 8.051 -1.365) 8.166 11.195 ( 0.000 0.463 -2.214) 2.262 11.380 ( 0.000 -9.438 -4.829) 10.602 11.515 ( 0.000 9.633 5.440) 11.063 11.558 ( 0.000 1.202 4.764) 4.913 11.742 ( 0.000 -0.066 1.228) 1.230 11.846 ( 0.000 -0.652 1.254) 1.414 12.051 ( 0.000 11.355 -2.166) 11.560 12.080 ( 0.000 8.884 -1.299) 8.978 12.272 ( 0.000 9.128 0.412) 9.137 12.369 ( 0.000 8.261 -5.586) 9.972 12.536 ( 0.000 -9.126 -0.313) 9.131 12.586 ( 0.000 -9.165 -0.982) 9.218 12.845 ( 0.000 -4.777 14.529) 15.294 13.036 ( 0.000 -10.854 6.121) 12.461 13.619 ( 0.000 6.493 -8.062) 10.351 13.631 ( 0.000 9.329 -10.096) 13.747 13.971 ( 0.000 7.965 -7.661) 11.051 13.999 ( 0.000 1.254 -4.048) 4.237 14.376 ( 0.000 6.568 0.541) 6.590 14.390 ( 0.000 9.236 -0.097) 9.237 14.680 ( 0.000 -2.508 -2.779) 3.744 14.719 ( 0.000 -9.455 0.603) 9.474 14.780 ( 0.000 -14.337 23.966) 27.927 15.453 ( 0.000 -18.091 -5.074) 18.789 15.626 ( 0.000 -11.727 14.864) 18.933 15.824 ( 0.000 -22.100 8.663) 23.737 16.272 ( 0.000 6.296 0.520) 6.318 16.428 ( 0.000 -0.846 -4.591) 4.668 16.568 ( 0.000 -6.708 4.081) 7.851 16.628 ( 0.000 -4.471 2.121) 4.949 17.796 ( 0.000 8.431 3.871) 9.277 17.822 ( 0.000 -6.808 2.456) 7.237 17.993 ( 0.000 -7.416 -2.295) 7.763 18.144 ( 0.000 3.692 -3.481) 5.074 18.396 ( 0.000 3.023 5.129) 5.953 18.400 ( 0.000 -3.314 -0.073) 3.315 18.747 ( 0.000 6.714 -6.270) 9.186 18.750 ( 0.000 4.166 -2.011) 4.626 18.957 ( 0.000 -5.268 2.465) 5.816 19.014 ( 0.000 -2.276 1.810) 2.908 19.072 ( 0.000 0.904 -0.248) 0.937 19.140 ( 0.000 -0.301 -1.782) 1.808 19.445 ( 0.000 0.212 0.398) 0.451 19.449 ( 0.000 1.420 -0.553) 1.524 19.514 ( 0.000 -0.731 1.696) 1.847 19.618 ( 0.000 -3.899 -0.132) 3.902 20.014 ( 0.000 10.226 2.617) 10.555 20.122 ( 0.000 6.676 -3.939) 7.752 20.206 ( 0.000 5.699 -3.093) 6.484 20.343 ( 0.000 4.154 3.312) 5.313 20.404 ( 0.000 -0.197 -5.656) 5.660 20.507 ( 0.000 -0.254 1.699) 1.718 20.781 ( 0.000 -4.165 3.952) 5.741 20.803 ( 0.000 -3.658 -1.537) 3.968 20.940 ( 0.000 5.604 -8.002) 9.769 21.004 ( 0.000 -0.624 4.277) 4.322 21.107 ( 0.000 4.666 -3.495) 5.830 21.335 ( 0.000 0.312 -2.678) 2.696 21.643 ( 0.000 20.262 13.347) 24.263 22.533 ( 0.000 12.853 -13.970) 18.983 22.981 ( 0.000 -16.542 3.568) 16.922 23.286 ( 0.000 -11.348 -3.721) 11.942 102.800 ( 0.000 1.686 0.549) 1.774 102.857 ( 0.000 0.109 -0.811) 0.818 102.988 ( 0.000 1.467 -0.022) 1.467 103.027 ( 0.000 1.426 -2.148) 2.578 103.089 ( 0.000 -0.041 0.186) 0.190 103.105 ( 0.000 -0.717 -0.161) 0.735 103.143 ( 0.000 -1.077 1.355) 1.731 103.192 ( 0.000 -1.431 -0.458) 1.502 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 13.189 17.769 13.625) 25.987 1.498 ( 7.754 25.426 13.006) 29.593 2.223 ( 7.598 0.732 -6.879) 10.276 2.448 ( 4.111 2.456 -2.307) 5.315 2.490 ( 14.576 -2.990 -13.161) 19.865 2.655 ( 3.016 -9.169 -7.511) 12.231 2.766 ( 8.743 16.674 10.680) 21.646 2.987 ( 8.012 0.561 4.830) 9.372 3.052 ( 9.028 3.106 8.241) 12.612 3.168 ( 4.541 -10.850 1.986) 11.928 3.264 ( 6.176 -9.335 3.356) 11.685 3.342 ( 2.247 -0.508 5.225) 5.710 3.653 ( -0.120 8.918 -4.409) 9.949 3.797 ( 3.068 4.598 0.220) 5.532 4.016 ( -0.301 -3.281 -1.844) 3.776 4.277 ( -1.912 23.673 2.734) 23.907 4.311 ( -3.102 4.987 -2.747) 6.484 4.616 ( -6.486 -0.902 6.975) 9.567 4.813 ( 3.932 6.434 -4.954) 9.022 4.883 ( 8.335 3.568 1.232) 9.150 5.090 ( -4.891 17.851 0.103) 18.509 5.184 ( 7.653 5.215 -4.931) 10.492 5.381 ( 3.260 9.908 -1.537) 10.543 5.459 ( -5.657 -0.746 -3.407) 6.646 5.531 ( 1.162 -1.012 0.502) 1.621 5.576 ( 2.695 -0.063 0.856) 2.828 5.661 ( -1.843 -1.845 0.811) 2.731 5.741 ( 4.801 -2.361 1.678) 5.607 6.010 ( 0.154 -4.855 -6.794) 8.352 6.051 ( -0.367 -1.916 -2.719) 3.346 6.103 ( 4.718 -5.940 2.874) 8.112 6.322 ( -17.038 4.602 -11.735) 21.194 6.414 ( 6.649 -13.111 -1.923) 14.826 6.520 ( 2.117 -16.615 0.597) 16.760 6.919 ( -3.946 -2.114 -2.699) 5.227 7.064 ( -10.719 -8.937 -1.494) 14.035 7.185 ( -9.497 4.858 0.008) 10.667 7.329 ( -6.831 5.671 -6.829) 11.201 7.488 ( -7.155 17.837 1.977) 19.321 7.665 ( -1.423 11.988 -1.870) 12.216 7.825 ( 2.429 7.656 -1.638) 8.198 7.931 ( -2.165 3.705 -1.955) 4.716 8.028 ( 1.797 -3.709 -1.891) 4.535 8.126 ( -0.988 0.877 -2.262) 2.620 8.155 ( -2.773 -5.555 1.688) 6.434 8.277 ( -3.897 1.229 4.048) 5.752 8.371 ( -4.962 -0.346 1.355) 5.155 8.478 ( 1.034 -6.374 -0.136) 6.459 8.521 ( -10.014 -10.975 1.501) 14.933 8.668 ( -7.776 -9.186 0.937) 12.072 8.851 ( -5.557 -3.104 5.928) 8.698 8.958 ( -1.112 -6.898 -1.062) 7.067 9.250 ( -2.896 8.829 -4.373) 10.269 9.377 ( -11.179 1.622 -1.650) 11.416 9.438 ( -14.778 2.656 -0.801) 15.036 9.516 ( -8.900 1.234 0.701) 9.013 9.606 ( -8.076 8.911 0.904) 12.060 9.733 ( -5.641 3.392 0.174) 6.585 9.840 ( -1.130 3.178 -2.312) 4.089 9.887 ( -1.755 -3.722 -0.606) 4.160 9.944 ( 4.435 0.278 -3.864) 5.889 10.036 ( 4.171 -1.045 -3.383) 5.471 10.099 ( 1.448 4.144 -0.815) 4.465 10.201 ( -0.628 -0.888 -0.336) 1.139 10.223 ( 6.699 -2.306 4.501) 8.394 10.284 ( 1.240 4.380 -7.155) 8.480 10.465 ( 4.043 -0.276 0.443) 4.076 10.542 ( 0.821 1.775 7.403) 7.657 10.757 ( 2.258 -4.964 -2.630) 6.054 10.830 ( 4.400 -7.419 0.163) 8.627 10.870 ( -0.464 -6.895 2.015) 7.199 10.973 ( -1.144 -8.526 4.559) 9.736 10.998 ( -2.499 2.539 -1.184) 3.754 11.075 ( 3.272 1.253 1.645) 3.871 11.305 ( 6.363 -5.228 -1.132) 8.312 11.487 ( 7.242 -1.548 -4.541) 8.686 11.568 ( 6.242 7.134 2.832) 9.893 11.696 ( 9.482 2.748 2.683) 10.231 11.825 ( 7.474 1.249 0.966) 7.639 11.894 ( 3.506 0.485 0.746) 3.617 12.022 ( 0.333 12.089 0.035) 12.094 12.110 ( 3.252 9.615 2.329) 10.414 12.299 ( 2.256 4.724 -2.325) 5.728 12.362 ( -2.029 3.016 -3.104) 4.780 12.469 ( -4.116 -4.949 0.881) 6.496 12.603 ( 0.481 -4.097 -3.259) 5.257 12.825 ( -1.593 -5.128 14.418) 15.386 13.136 ( 6.604 -11.728 3.959) 14.029 13.552 ( -3.290 8.935 -7.092) 11.873 13.689 ( 3.260 9.454 -14.285) 17.438 13.995 ( 3.429 7.748 -4.960) 9.818 14.040 ( 3.313 0.314 -1.151) 3.521 14.401 ( 2.567 5.302 -0.612) 5.922 14.469 ( 4.874 1.660 1.218) 5.291 14.632 ( -3.548 -5.466 5.126) 8.291 14.670 ( -0.918 -0.288 -1.411) 1.708 14.806 ( 0.562 -12.080 11.576) 16.741 15.402 ( -4.180 -13.585 0.848) 14.238 15.562 ( -6.644 -12.167 6.996) 15.528 15.751 ( -2.753 -14.300 6.042) 15.766 16.260 ( -0.768 6.068 1.586) 6.319 16.418 ( -1.670 -2.088 -0.849) 2.805 16.602 ( 4.556 -8.103 0.206) 9.298 16.761 ( 7.357 -13.371 0.877) 15.286 17.758 ( -2.914 4.073 1.705) 5.290 17.817 ( -1.391 -0.071 3.627) 3.885 17.942 ( -3.746 -6.844 -1.660) 7.976 18.099 ( -3.863 2.835 -2.742) 5.521 18.368 ( -1.034 1.725 2.939) 3.561 18.431 ( 1.202 -2.773 2.144) 3.706 18.708 ( -1.708 8.164 -3.554) 9.066 18.776 ( 0.467 0.610 -3.870) 3.946 18.866 ( -6.393 -2.896 2.576) 7.476 19.005 ( -4.880 1.841 -0.328) 5.226 19.070 ( 2.515 -3.516 0.236) 4.329 19.167 ( 2.044 -1.137 -0.714) 2.446 19.420 ( -2.376 1.978 0.343) 3.111 19.466 ( 0.563 -0.333 -0.337) 0.736 19.521 ( -1.699 0.865 3.259) 3.776 19.680 ( 6.587 -4.406 -0.251) 7.929 20.019 ( 2.240 8.486 0.494) 8.791 20.165 ( 0.035 6.620 -3.241) 7.371 20.189 ( -0.196 4.263 -5.083) 6.637 20.297 ( -3.059 2.734 0.205) 4.108 20.440 ( 2.173 1.222 -2.717) 3.687 20.537 ( 2.714 -0.750 2.026) 3.469 20.729 ( -5.363 -1.800 0.131) 5.658 20.789 ( 0.687 -1.435 4.102) 4.400 20.895 ( -2.983 4.564 -4.526) 7.086 21.000 ( 0.656 1.247 2.957) 3.275 21.118 ( 0.034 4.453 -1.313) 4.643 21.321 ( -0.630 3.275 -3.048) 4.518 21.690 ( 4.179 18.410 11.966) 22.352 22.615 ( 5.125 6.883 -13.288) 15.818 23.023 ( 3.840 -16.677 2.830) 17.345 23.297 ( 0.809 -12.027 -4.317) 12.804 102.806 ( 0.624 1.671 0.497) 1.852 102.858 ( 0.156 0.260 -0.761) 0.820 102.983 ( -0.466 1.548 -0.067) 1.618 103.010 ( -1.617 2.389 -1.529) 3.265 103.092 ( 0.295 -0.139 0.172) 0.368 103.100 ( -0.395 -0.412 0.133) 0.586 103.127 ( -0.297 -1.051 1.581) 1.921 103.210 ( 0.564 -2.599 -1.011) 2.846 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 16.079 14.207 10.261) 23.784 1.791 ( 19.635 9.429 11.048) 24.423 2.398 ( 7.249 -3.188 2.190) 8.216 2.564 ( 7.774 5.933 -2.514) 10.098 2.614 ( 1.022 -12.870 -12.545) 18.001 2.815 ( 9.131 7.690 -10.508) 15.904 2.997 ( 4.082 3.083 8.691) 10.085 3.056 ( 1.819 6.415 0.468) 6.684 3.172 ( 7.904 0.470 0.917) 7.971 3.287 ( 2.362 -0.212 2.021) 3.116 3.492 ( 9.054 2.045 1.940) 9.483 3.526 ( 16.773 -4.926 5.864) 18.439 3.724 ( 5.282 -5.391 -5.215) 9.174 3.888 ( 4.684 5.413 0.697) 7.192 4.038 ( 5.537 -4.922 2.121) 7.706 4.216 ( -4.294 2.809 2.998) 5.943 4.307 ( 3.749 13.189 6.127) 15.018 4.474 ( -4.196 4.059 2.869) 6.505 4.890 ( -0.657 9.855 -3.625) 10.521 4.968 ( -0.398 13.822 0.270) 13.830 5.021 ( 0.188 10.331 -2.291) 10.583 5.311 ( 1.483 6.259 -5.916) 8.739 5.400 ( -0.197 3.217 -1.390) 3.510 5.499 ( 7.857 5.766 -3.035) 10.207 5.543 ( 2.594 4.655 -0.919) 5.408 5.581 ( -2.738 -2.454 -4.465) 5.784 5.699 ( 8.677 -2.337 1.370) 9.090 5.826 ( -0.093 3.345 0.479) 3.381 5.955 ( -2.107 -2.468 -4.646) 5.667 6.061 ( 3.777 -8.463 -0.424) 9.277 6.166 ( 2.816 -3.191 0.913) 4.352 6.250 ( 8.219 -3.624 1.798) 9.161 6.538 ( -0.466 -10.398 -3.055) 10.847 6.559 ( 3.930 -4.746 -2.910) 6.815 6.765 ( -15.778 2.522 1.879) 16.089 6.795 ( -6.578 -6.996 -0.205) 9.605 6.983 ( -8.598 5.324 0.205) 10.115 7.163 ( -8.127 2.214 -4.635) 9.614 7.305 ( -9.161 13.165 4.256) 16.594 7.578 ( -6.960 5.614 -2.812) 9.374 7.793 ( -4.037 6.492 -2.656) 8.093 7.946 ( -8.973 -9.315 -2.633) 13.199 7.982 ( 0.617 -1.605 -2.935) 3.401 8.053 ( -4.301 -7.347 -2.061) 8.759 8.103 ( -1.777 -3.699 -1.940) 4.539 8.190 ( -7.042 3.837 0.639) 8.045 8.266 ( -4.854 -0.299 2.012) 5.263 8.345 ( -3.135 -4.760 6.385) 8.559 8.423 ( -6.498 -3.529 6.294) 9.711 8.562 ( -0.366 -7.678 -3.019) 8.258 8.730 ( -5.427 -2.058 5.466) 7.973 8.907 ( -3.906 -7.183 -1.121) 8.253 9.069 ( -13.500 -1.319 -1.400) 13.637 9.132 ( -8.196 3.547 -0.909) 8.977 9.221 ( -8.227 5.986 -0.428) 10.184 9.301 ( -12.053 1.178 3.464) 12.596 9.419 ( -8.729 5.885 -4.035) 11.274 9.550 ( -11.392 5.810 -3.723) 13.319 9.765 ( -8.859 -5.204 -4.525) 11.226 9.827 ( 1.820 8.516 -1.453) 8.829 9.982 ( -6.898 4.405 -6.741) 10.603 10.058 ( 5.706 2.217 1.052) 6.211 10.180 ( 7.279 -2.680 -0.934) 7.812 10.278 ( 5.626 0.223 -1.747) 5.895 10.384 ( 6.099 -1.729 0.472) 6.357 10.400 ( 5.076 -2.062 -0.406) 5.494 10.518 ( 3.716 -1.886 3.778) 5.625 10.549 ( 1.248 -3.057 2.844) 4.358 10.712 ( -1.815 0.854 5.689) 6.032 10.906 ( 3.227 -4.634 0.064) 5.648 10.938 ( -0.679 -7.260 -1.425) 7.430 11.003 ( 4.409 -9.591 2.670) 10.888 11.028 ( 6.452 -2.899 2.749) 7.589 11.126 ( 1.029 4.547 5.195) 6.980 11.422 ( 4.537 -5.363 -2.255) 7.377 11.541 ( -2.521 0.922 -2.834) 3.903 11.739 ( 7.129 8.024 -0.281) 10.737 11.823 ( 3.922 8.816 0.343) 9.655 11.964 ( 4.328 2.583 0.133) 5.042 12.012 ( 7.189 0.758 -0.984) 7.295 12.162 ( 11.758 8.490 3.270) 14.867 12.214 ( 4.002 5.781 4.855) 8.545 12.272 ( -3.643 -0.950 3.210) 4.947 12.333 ( 1.384 -2.623 -4.415) 5.319 12.462 ( 2.788 4.738 -0.461) 5.517 12.575 ( -2.396 0.783 -2.843) 3.799 12.804 ( -0.016 -4.491 11.497) 12.343 13.185 ( -2.514 -6.733 -0.987) 7.254 13.511 ( -0.282 9.998 -4.547) 10.987 13.782 ( 5.781 9.634 -18.164) 21.358 14.110 ( 3.399 0.804 2.352) 4.211 14.165 ( 12.388 1.601 -0.297) 12.495 14.418 ( -4.358 -3.639 2.705) 6.289 14.499 ( 2.737 -0.581 1.159) 3.029 14.576 ( -0.940 -1.240 8.928) 9.063 14.742 ( -1.632 -11.034 -3.918) 11.822 14.854 ( 10.145 1.652 -2.890) 10.677 15.291 ( -8.075 -9.155 -2.295) 12.421 15.413 ( -1.837 -5.024 13.046) 14.100 15.794 ( 4.957 -13.475 -1.023) 14.394 16.245 ( -0.568 5.235 2.228) 5.717 16.392 ( -0.553 -1.337 0.327) 1.483 16.679 ( 1.992 -11.781 -0.364) 11.954 16.851 ( 1.008 -17.826 -1.616) 17.927 17.690 ( -3.346 3.282 -0.369) 4.701 17.754 ( -3.704 3.932 0.922) 5.480 17.888 ( -1.441 -5.698 1.370) 6.035 18.010 ( -4.247 0.555 -1.005) 4.399 18.352 ( -0.654 2.024 3.438) 4.042 18.452 ( 0.980 -3.562 1.731) 4.080 18.669 ( -2.990 5.184 -3.125) 6.751 18.719 ( -6.168 -0.408 2.001) 6.497 18.782 ( -0.296 0.001 -1.518) 1.547 18.902 ( -4.735 3.584 -0.723) 5.982 19.081 ( -1.192 -1.087 -2.831) 3.258 19.205 ( 0.572 0.471 -0.428) 0.855 19.325 ( -6.979 5.225 -0.043) 8.718 19.415 ( -3.931 -0.775 1.592) 4.312 19.522 ( 1.627 -2.596 3.107) 4.363 19.780 ( 0.271 -5.659 -1.523) 5.867 20.091 ( 0.525 8.701 2.155) 8.979 20.109 ( -1.766 4.863 -1.677) 5.439 20.170 ( -2.069 1.684 -5.496) 6.109 20.274 ( 2.925 1.097 -3.592) 4.760 20.482 ( 1.758 2.339 -1.276) 3.192 20.560 ( -2.445 -3.597 1.109) 4.488 20.681 ( 2.614 -0.001 3.691) 4.523 20.816 ( 1.814 6.319 5.155) 8.354 20.842 ( -2.180 0.446 0.005) 2.225 21.067 ( 4.908 2.165 -1.402) 5.544 21.090 ( -1.601 4.449 3.989) 6.186 21.344 ( 3.129 4.985 -5.148) 7.819 21.786 ( 4.520 17.097 9.345) 20.002 22.656 ( -2.022 3.686 -10.764) 11.556 23.129 ( 6.029 -17.134 1.284) 18.209 23.314 ( 0.914 -12.873 -4.078) 13.534 102.825 ( 1.134 1.635 0.351) 2.021 102.863 ( 0.330 0.633 -0.610) 0.939 102.963 ( -1.602 2.597 -0.059) 3.052 102.976 ( -1.177 2.061 -0.367) 2.401 103.098 ( 0.271 -0.501 0.267) 0.629 103.102 ( 0.670 -0.553 0.045) 0.870 103.130 ( 0.357 -1.423 0.951) 1.749 103.206 ( -0.830 -2.922 -0.956) 3.185 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 15.876 5.982 4.596) 17.577 2.202 ( 17.730 -0.300 8.075) 19.485 2.505 ( 4.570 -5.256 3.167) 7.651 2.656 ( 3.738 -5.564 -4.994) 8.359 2.718 ( 4.606 11.628 -1.231) 12.568 2.993 ( -1.373 6.011 -0.145) 6.167 3.005 ( 8.217 3.320 -5.315) 10.334 3.015 ( -4.391 1.040 7.278) 8.564 3.216 ( 0.773 1.315 -0.154) 1.532 3.466 ( 8.655 2.010 -4.152) 9.808 3.676 ( 0.905 -5.694 -5.825) 8.196 3.706 ( 4.934 -5.217 -1.494) 7.334 3.745 ( -0.050 -1.879 -1.893) 2.668 3.976 ( 4.891 4.795 1.348) 6.981 4.076 ( -5.836 0.992 5.355) 7.982 4.225 ( 4.420 -0.021 5.892) 7.366 4.482 ( 7.228 12.891 3.275) 15.138 4.524 ( 10.062 0.574 4.541) 11.054 4.825 ( -1.276 16.567 -2.563) 16.812 4.910 ( -2.699 17.677 -5.168) 18.614 5.080 ( 5.812 0.991 2.871) 6.558 5.263 ( -6.750 7.258 -2.810) 10.303 5.489 ( 6.753 8.495 -4.146) 11.617 5.512 ( 1.756 -9.031 -3.138) 9.721 5.615 ( 2.891 3.933 2.048) 5.294 5.703 ( 5.937 9.029 -4.557) 11.728 5.772 ( 1.479 1.408 -0.547) 2.115 5.947 ( 10.748 -5.691 -3.483) 12.650 6.052 ( 6.071 -11.429 -2.644) 13.208 6.129 ( 0.540 -4.664 2.181) 5.177 6.247 ( 3.722 -5.073 6.302) 8.905 6.379 ( 0.396 3.689 -0.392) 3.730 6.461 ( -4.659 0.554 1.106) 4.820 6.506 ( -3.181 6.718 -0.836) 7.480 6.544 ( -4.177 -3.630 -0.157) 5.536 6.689 ( -4.827 -0.919 -1.563) 5.157 6.930 ( 2.981 -1.408 -2.846) 4.355 7.045 ( -1.789 0.759 -1.158) 2.262 7.180 ( -1.543 1.584 3.976) 4.550 7.407 ( -7.580 -1.338 -2.824) 8.199 7.607 ( -14.242 -11.516 -1.137) 18.350 7.752 ( -8.444 4.179 3.888) 10.192 7.789 ( -11.925 -12.152 -6.018) 18.058 7.972 ( -10.717 -0.297 2.500) 11.009 8.039 ( -1.336 -1.705 0.973) 2.374 8.155 ( 0.647 4.271 -2.792) 5.144 8.161 ( -3.198 -1.890 -2.997) 4.773 8.334 ( 0.167 -2.305 6.349) 6.757 8.346 ( -0.552 -3.434 1.127) 3.656 8.572 ( -0.538 4.133 0.086) 4.169 8.651 ( -0.339 0.706 1.853) 2.012 8.792 ( -5.238 -5.744 2.278) 8.101 8.916 ( -4.024 -5.141 0.558) 6.552 8.921 ( -9.038 -0.211 -3.727) 9.779 9.058 ( -8.706 2.903 4.592) 10.262 9.109 ( -4.390 4.262 1.679) 6.345 9.236 ( -9.646 7.128 -1.214) 12.055 9.320 ( -9.448 0.781 -4.868) 10.657 9.576 ( -8.165 -8.135 -5.588) 12.809 9.784 ( -9.407 2.590 -7.193) 12.122 9.942 ( 6.721 6.110 0.355) 9.090 10.182 ( 4.639 0.800 -0.523) 4.736 10.303 ( 3.535 -3.372 2.712) 5.588 10.389 ( 4.287 2.010 -6.426) 7.982 10.422 ( 0.878 -0.277 0.359) 0.988 10.473 ( 3.902 -1.841 0.623) 4.359 10.534 ( -2.102 3.571 3.240) 5.261 10.695 ( 8.693 -5.096 3.068) 10.533 10.735 ( 2.662 -6.004 0.873) 6.625 10.892 ( -2.010 0.419 -0.435) 2.099 11.007 ( 3.499 -9.009 1.895) 9.849 11.074 ( -3.553 3.524 4.075) 6.454 11.100 ( 6.771 -6.670 3.890) 10.270 11.182 ( 5.121 -2.601 0.277) 5.751 11.430 ( -5.817 5.933 -2.025) 8.552 11.489 ( 0.970 -8.095 -2.364) 8.489 11.779 ( -0.103 9.302 1.726) 9.461 11.917 ( 0.045 6.767 -3.158) 7.468 12.025 ( 3.711 0.044 1.798) 4.124 12.121 ( -0.121 -1.004 -0.129) 1.020 12.172 ( -0.965 1.685 3.371) 3.890 12.275 ( 6.054 0.470 0.726) 6.116 12.402 ( -0.654 5.719 1.136) 5.867 12.417 ( 4.310 9.278 1.229) 10.304 12.442 ( 3.470 4.748 0.145) 5.883 12.624 ( 4.962 0.022 -3.383) 6.006 12.811 ( 0.217 -1.460 7.200) 7.350 13.089 ( -5.530 -1.791 -0.893) 5.881 13.559 ( 5.714 10.501 -2.170) 12.150 13.913 ( 5.907 6.603 -16.028) 18.314 14.173 ( 2.494 2.525 4.261) 5.545 14.278 ( -5.413 -0.889 2.099) 5.873 14.441 ( 6.151 -8.418 0.525) 10.439 14.529 ( 3.606 -0.023 7.536) 8.354 14.600 ( -1.847 -8.087 -0.075) 8.296 14.703 ( 4.739 -2.752 0.819) 5.540 15.048 ( 5.568 0.182 -4.906) 7.423 15.151 ( -4.334 0.906 -1.154) 4.576 15.515 ( 10.388 -8.503 7.822) 15.537 15.896 ( 3.816 -15.389 -3.437) 16.223 16.248 ( 1.212 3.508 1.962) 4.198 16.393 ( 0.410 -1.311 -0.371) 1.423 16.672 ( -2.361 -12.436 0.290) 12.661 16.812 ( -4.247 -16.914 -2.180) 17.574 17.637 ( -1.166 2.629 -1.541) 3.263 17.706 ( -0.790 4.229 -2.392) 4.922 17.868 ( -0.636 -4.112 2.492) 4.850 17.929 ( -3.471 -1.674 1.136) 4.017 18.339 ( -0.544 1.967 4.082) 4.564 18.475 ( 1.167 -3.486 0.592) 3.723 18.538 ( -7.135 -1.097 1.028) 7.291 18.659 ( -1.759 1.963 -1.114) 2.862 18.760 ( -1.835 3.228 -0.706) 3.779 18.828 ( -1.936 6.879 0.025) 7.146 19.047 ( -1.499 3.053 -4.290) 5.475 19.159 ( -6.436 12.328 -1.585) 13.997 19.189 ( -2.878 -0.243 0.505) 2.932 19.340 ( -3.390 -1.905 -2.452) 4.597 19.538 ( -0.809 -8.271 -0.021) 8.310 19.687 ( -7.227 -4.844 -3.478) 9.370 20.047 ( -0.580 5.252 3.749) 6.478 20.069 ( -1.423 3.631 1.670) 4.242 20.170 ( -1.110 3.481 3.963) 5.391 20.352 ( 0.215 -4.362 -1.853) 4.744 20.509 ( 1.014 -0.969 1.809) 2.289 20.546 ( 4.441 2.027 -2.240) 5.372 20.748 ( 2.087 0.169 -0.295) 2.114 20.785 ( -2.865 3.307 5.229) 6.819 20.873 ( 2.999 6.768 2.158) 7.711 21.027 ( -2.504 6.618 4.222) 8.240 21.228 ( 8.317 -0.070 -1.943) 8.542 21.432 ( 4.238 -1.079 -4.288) 6.124 21.882 ( 5.475 20.036 5.156) 21.401 22.532 ( -9.393 6.461 -8.102) 13.986 23.253 ( 5.433 -17.550 -0.018) 18.372 23.339 ( 1.450 -14.141 -2.633) 14.457 102.852 ( 1.414 1.620 0.156) 2.156 102.872 ( 0.588 1.089 -0.387) 1.296 102.930 ( -1.473 2.636 0.285) 3.033 102.953 ( -1.266 1.626 -0.289) 2.081 103.109 ( 0.714 -0.822 0.179) 1.104 103.117 ( 0.714 -0.944 -0.089) 1.186 103.137 ( 0.267 -1.575 0.565) 1.694 103.182 ( -1.307 -2.564 -0.550) 2.930 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 9.606 0.306 2.764) 10.001 2.421 ( 2.961 -2.367 3.902) 5.441 2.629 ( 4.841 -6.079 2.718) 8.232 2.690 ( -2.098 -4.835 -0.034) 5.271 2.802 ( 5.597 6.992 1.221) 9.039 2.905 ( -3.578 3.806 2.298) 5.706 2.989 ( 2.569 5.911 -1.676) 6.659 3.103 ( -3.105 4.940 -6.096) 8.438 3.303 ( 9.033 -1.187 3.367) 9.713 3.500 ( -7.142 -2.026 0.166) 7.425 3.637 ( 0.934 -8.114 -5.664) 9.939 3.699 ( -2.972 -2.225 -1.899) 4.170 3.826 ( 6.930 2.490 2.948) 7.932 3.979 ( -5.749 4.966 4.486) 8.822 4.106 ( 5.712 7.568 -3.689) 10.174 4.197 ( -3.779 7.782 -3.263) 9.246 4.593 ( 4.059 4.561 1.457) 6.277 4.638 ( 0.330 3.173 2.540) 4.078 4.904 ( 3.366 12.488 -4.442) 13.675 4.927 ( 3.372 12.761 -4.713) 14.015 5.157 ( -0.315 12.369 4.794) 13.269 5.186 ( 1.519 5.285 6.243) 8.320 5.537 ( 1.967 -4.254 -2.494) 5.309 5.577 ( -0.493 -5.703 -2.081) 6.090 5.665 ( 1.755 0.469 2.488) 3.081 5.721 ( -3.484 6.094 -4.199) 8.180 5.874 ( 7.041 1.508 -2.227) 7.538 6.029 ( -4.098 0.106 -4.117) 5.810 6.089 ( 4.079 -3.857 2.127) 6.003 6.204 ( 1.956 -3.576 3.799) 5.572 6.319 ( 2.912 -12.704 -1.059) 13.076 6.334 ( 0.758 6.644 -0.237) 6.691 6.399 ( -3.491 -7.755 4.366) 9.560 6.447 ( -6.784 8.887 -2.813) 11.529 6.530 ( 8.079 -1.141 -2.995) 8.691 6.729 ( -0.448 7.424 -3.598) 8.262 6.909 ( 2.179 -1.976 1.618) 3.357 7.085 ( -2.146 -0.864 3.116) 3.881 7.220 ( 3.706 -5.108 1.413) 6.468 7.323 ( -2.289 -12.074 -1.657) 12.401 7.437 ( 2.344 -10.594 -2.548) 11.145 7.562 ( -7.349 -0.340 3.892) 8.323 7.565 ( -5.288 -6.711 -3.819) 9.359 7.758 ( -11.974 -0.184 -0.803) 12.002 8.002 ( 0.248 1.469 0.044) 1.490 8.067 ( -3.876 1.257 -2.140) 4.602 8.189 ( 1.169 0.442 3.325) 3.552 8.243 ( -4.665 -2.463 5.840) 7.870 8.454 ( 6.859 1.979 -3.176) 7.813 8.551 ( -2.147 4.485 0.158) 4.975 8.669 ( 0.606 1.748 3.688) 4.126 8.731 ( -5.309 1.622 -1.221) 5.684 8.796 ( 4.531 -3.916 1.758) 6.242 8.902 ( -2.129 -2.398 0.728) 3.288 8.922 ( -2.230 3.134 1.025) 3.981 9.011 ( -7.627 5.870 1.966) 9.823 9.084 ( -0.249 2.411 0.168) 2.430 9.164 ( -6.344 -2.551 -3.064) 7.493 9.486 ( 0.719 -8.222 -5.869) 10.128 9.591 ( -8.173 -3.224 -5.543) 10.388 10.106 ( 7.998 2.631 0.020) 8.420 10.224 ( -1.890 -1.298 1.567) 2.777 10.320 ( 1.352 1.668 -0.404) 2.185 10.394 ( -4.087 3.774 0.317) 5.572 10.494 ( 4.220 -0.052 -4.891) 6.460 10.531 ( 1.523 2.593 -1.066) 3.190 10.557 ( 4.848 -2.958 -0.581) 5.708 10.688 ( -6.247 -2.265 -3.594) 7.554 10.858 ( 5.600 -4.128 3.774) 7.915 10.915 ( 4.131 -3.500 4.731) 7.190 10.958 ( -4.659 -2.813 3.774) 6.623 11.014 ( -3.373 -7.166 5.048) 9.392 11.264 ( 3.156 2.463 -2.400) 4.668 11.290 ( 7.156 -3.371 -1.392) 8.032 11.338 ( -0.869 2.994 -1.297) 3.377 11.459 ( -4.490 -6.203 -2.377) 8.018 11.790 ( 1.614 7.876 2.668) 8.471 11.853 ( -4.122 5.948 1.154) 7.328 12.067 ( 0.346 -4.555 0.867) 4.650 12.083 ( -1.408 -3.912 1.802) 4.531 12.217 ( 3.733 4.433 0.224) 5.800 12.301 ( -4.484 5.225 -0.527) 6.906 12.417 ( 5.528 5.322 -2.514) 8.075 12.482 ( -0.749 7.267 -1.760) 7.514 12.541 ( 5.854 6.140 2.116) 8.744 12.651 ( -3.286 1.046 -1.559) 3.784 12.851 ( 4.563 2.192 4.628) 6.859 12.968 ( -6.066 1.506 2.111) 6.597 13.743 ( 10.727 7.072 -2.007) 13.004 13.936 ( -5.734 4.428 -6.212) 9.543 14.191 ( 1.765 -0.146 -1.556) 2.358 14.234 ( -0.641 3.825 2.483) 4.605 14.446 ( -0.124 -5.865 1.180) 5.983 14.488 ( -3.389 -1.651 8.569) 9.361 14.746 ( 7.855 -6.923 -3.213) 10.952 14.811 ( 2.286 -6.017 -0.719) 6.476 15.093 ( -0.324 2.906 0.918) 3.065 15.099 ( -0.624 4.523 0.484) 4.592 15.756 ( 10.817 -12.712 1.106) 16.728 15.910 ( -3.310 -15.041 -2.135) 15.548 16.305 ( 4.111 0.453 0.465) 4.161 16.384 ( -2.273 -1.290 -1.095) 2.833 16.631 ( 0.251 -12.510 0.263) 12.515 16.702 ( -5.487 -14.470 -1.460) 15.544 17.649 ( 1.969 2.541 -2.613) 4.142 17.692 ( -1.442 2.823 -3.894) 5.021 17.860 ( 0.059 -3.019 2.562) 3.960 17.876 ( -1.488 -3.780 2.428) 4.733 18.339 ( 1.015 1.492 3.076) 3.566 18.400 ( -4.942 0.385 1.685) 5.235 18.522 ( 2.837 -3.640 0.079) 4.616 18.598 ( -3.994 -3.657 0.019) 5.416 18.754 ( 1.645 9.453 -0.133) 9.596 18.798 ( -1.766 9.825 1.080) 10.041 19.024 ( -0.579 9.177 -2.060) 9.423 19.048 ( -3.291 10.959 -0.820) 11.471 19.174 ( 2.005 -1.346 -5.268) 5.795 19.258 ( -4.778 -2.341 -6.418) 8.337 19.510 ( -0.301 -7.109 -3.101) 7.762 19.556 ( -4.567 -5.031 -3.472) 7.630 20.059 ( 1.391 2.508 7.447) 7.980 20.098 ( 0.677 1.280 5.808) 5.986 20.130 ( 1.598 0.985 6.726) 6.983 20.256 ( -6.965 -4.393 4.021) 9.164 20.588 ( 4.789 2.269 0.423) 5.316 20.647 ( 2.327 3.742 -1.121) 4.547 20.719 ( -1.168 0.364 0.008) 1.224 20.758 ( -1.699 0.372 0.147) 1.746 20.933 ( 2.660 9.245 1.718) 9.772 20.981 ( -2.072 8.377 2.592) 9.010 21.387 ( 6.330 -3.267 -1.390) 7.258 21.470 ( -1.204 -5.696 -1.843) 6.107 22.046 ( 10.547 19.471 -0.638) 22.153 22.296 ( -12.567 12.559 -5.001) 18.458 23.339 ( 2.631 -17.245 -0.854) 17.466 23.362 ( 0.315 -15.954 -1.557) 16.033 102.879 ( 1.076 1.790 0.048) 2.089 102.890 ( 0.949 1.634 -0.294) 1.913 102.904 ( -0.775 1.930 0.339) 2.107 102.924 ( -1.490 1.477 -0.216) 2.109 103.126 ( 0.788 -1.227 0.054) 1.459 103.129 ( 0.371 -1.255 -0.052) 1.310 103.141 ( 0.175 -1.604 0.221) 1.628 103.155 ( -1.174 -1.980 -0.155) 2.307 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.000 24.823 3.116) 25.018 1.932 ( 0.000 19.510 -3.001) 19.740 2.177 ( 0.000 -0.738 -4.346) 4.409 2.283 ( 0.000 -3.901 -5.539) 6.775 2.306 ( 0.000 -9.829 0.507) 9.842 2.337 ( 0.000 -6.527 -4.814) 8.110 2.660 ( 0.000 -11.675 5.336) 12.837 2.668 ( 0.000 -13.876 6.493) 15.320 3.066 ( 0.000 10.736 8.946) 13.974 3.129 ( 0.000 -1.318 8.073) 8.179 3.159 ( 0.000 8.325 10.810) 13.644 3.325 ( 0.000 -4.594 6.283) 7.783 3.784 ( 0.000 2.624 -5.731) 6.303 3.833 ( 0.000 -0.951 -8.169) 8.224 4.159 ( 0.000 14.034 1.156) 14.081 4.342 ( 0.000 -3.420 -3.431) 4.844 4.595 ( 0.000 -2.065 1.849) 2.771 4.608 ( 0.000 -2.220 0.460) 2.267 4.997 ( 0.000 14.128 -2.200) 14.299 5.037 ( 0.000 21.302 -1.111) 21.331 5.190 ( 0.000 1.203 -6.661) 6.769 5.319 ( 0.000 -2.226 -5.910) 6.315 5.501 ( 0.000 2.617 0.597) 2.684 5.505 ( 0.000 2.088 1.139) 2.379 5.517 ( 0.000 0.150 -1.788) 1.795 5.527 ( 0.000 -0.529 2.489) 2.545 5.713 ( 0.000 4.217 2.737) 5.028 5.790 ( 0.000 0.738 -5.126) 5.179 5.889 ( 0.000 4.442 2.326) 5.014 5.911 ( 0.000 -6.220 -1.653) 6.435 6.032 ( 0.000 -10.192 4.948) 11.329 6.088 ( 0.000 -12.746 4.115) 13.393 6.134 ( 0.000 3.107 0.440) 3.138 6.422 ( 0.000 -14.128 -4.308) 14.770 6.960 ( 0.000 0.388 -1.578) 1.625 6.983 ( 0.000 -3.978 -2.183) 4.537 7.332 ( 0.000 2.243 -0.730) 2.359 7.409 ( 0.000 -4.467 -3.728) 5.818 7.845 ( 0.000 9.442 -0.789) 9.475 7.887 ( 0.000 2.811 -3.678) 4.629 7.982 ( 0.000 0.713 0.029) 0.714 7.996 ( 0.000 10.473 -3.805) 11.143 8.019 ( 0.000 -2.555 -2.675) 3.699 8.107 ( 0.000 1.514 -4.159) 4.427 8.229 ( 0.000 -0.623 5.818) 5.851 8.244 ( 0.000 1.925 0.942) 2.143 8.380 ( 0.000 -4.400 5.756) 7.245 8.389 ( 0.000 -4.604 2.833) 5.406 8.549 ( 0.000 -3.792 -2.853) 4.745 8.568 ( 0.000 -3.472 -4.122) 5.390 8.878 ( 0.000 -1.290 0.469) 1.373 8.885 ( 0.000 -1.070 2.006) 2.274 9.448 ( 0.000 4.720 -7.698) 9.030 9.500 ( 0.000 -1.924 -5.150) 5.498 9.638 ( 0.000 4.897 0.824) 4.966 9.719 ( 0.000 -0.480 -1.910) 1.969 9.739 ( 0.000 -0.658 0.551) 0.858 9.755 ( 0.000 -4.137 -0.577) 4.177 9.853 ( 0.000 1.576 2.006) 2.551 9.869 ( 0.000 0.286 3.304) 3.317 9.943 ( 0.000 1.543 6.092) 6.284 9.999 ( 0.000 -0.995 4.681) 4.785 10.098 ( 0.000 13.766 -1.275) 13.825 10.227 ( 0.000 3.287 0.398) 3.311 10.251 ( 0.000 -0.735 -3.389) 3.468 10.385 ( 0.000 -8.840 -5.746) 10.543 10.394 ( 0.000 5.503 -0.883) 5.574 10.522 ( 0.000 -4.893 -1.206) 5.039 10.617 ( 0.000 1.229 -2.572) 2.850 10.683 ( 0.000 -4.411 -1.947) 4.821 10.700 ( 0.000 -1.503 3.578) 3.881 10.822 ( 0.000 -9.570 5.120) 10.853 10.969 ( 0.000 2.293 -4.006) 4.616 11.128 ( 0.000 -11.925 -4.379) 12.703 11.309 ( 0.000 8.250 -1.551) 8.395 11.336 ( 0.000 4.818 -1.813) 5.147 11.591 ( 0.000 1.858 4.782) 5.130 11.614 ( 0.000 0.705 4.681) 4.734 11.765 ( 0.000 2.558 0.349) 2.582 11.817 ( 0.000 -2.234 0.061) 2.234 12.243 ( 0.000 7.658 -1.189) 7.750 12.251 ( 0.000 7.102 -2.656) 7.582 12.352 ( 0.000 -0.507 2.604) 2.653 12.383 ( 0.000 -4.916 -0.632) 4.956 12.440 ( 0.000 -1.072 -0.327) 1.121 12.450 ( 0.000 -3.624 -1.256) 3.836 12.785 ( 0.000 0.033 13.528) 13.528 12.856 ( 0.000 -6.995 9.849) 12.080 13.733 ( 0.000 4.586 -8.087) 9.297 13.766 ( 0.000 2.287 -11.118) 11.351 14.059 ( 0.000 4.053 -8.479) 9.398 14.080 ( 0.000 2.654 -10.780) 11.101 14.478 ( 0.000 0.934 4.868) 4.957 14.501 ( 0.000 4.574 6.500) 7.948 14.555 ( 0.000 -5.287 -0.249) 5.293 14.611 ( 0.000 -5.159 11.127) 12.264 14.774 ( 0.000 12.512 -7.206) 14.439 15.086 ( 0.000 -18.382 -6.433) 19.475 15.470 ( 0.000 -3.979 11.864) 12.513 15.513 ( 0.000 -9.227 11.055) 14.399 16.387 ( 0.000 4.206 -0.718) 4.266 16.403 ( 0.000 -0.697 -0.217) 0.730 16.467 ( 0.000 -1.827 2.984) 3.499 16.536 ( 0.000 -5.270 0.069) 5.271 17.767 ( 0.000 1.223 0.895) 1.515 17.849 ( 0.000 -6.389 -1.459) 6.553 17.990 ( 0.000 10.281 3.622) 10.901 18.160 ( 0.000 -5.192 0.982) 5.284 18.358 ( 0.000 1.783 0.608) 1.883 18.411 ( 0.000 -1.628 2.605) 3.072 18.795 ( 0.000 1.137 -2.601) 2.839 18.811 ( 0.000 -0.093 -5.005) 5.006 18.918 ( 0.000 1.507 1.286) 1.981 18.965 ( 0.000 -2.629 0.044) 2.629 19.099 ( 0.000 1.530 -0.453) 1.595 19.124 ( 0.000 -1.059 -0.985) 1.447 19.458 ( 0.000 0.797 -0.610) 1.004 19.465 ( 0.000 0.199 -0.406) 0.452 19.522 ( 0.000 1.019 1.836) 2.100 19.554 ( 0.000 -2.476 0.545) 2.536 20.182 ( 0.000 5.765 -2.439) 6.260 20.217 ( 0.000 2.159 -4.487) 4.980 20.304 ( 0.000 4.254 -2.219) 4.798 20.374 ( 0.000 -2.856 -2.515) 3.806 20.456 ( 0.000 6.941 2.868) 7.510 20.519 ( 0.000 1.117 1.561) 1.919 20.685 ( 0.000 -4.413 6.034) 7.476 20.697 ( 0.000 -5.947 4.640) 7.543 20.998 ( 0.000 1.071 -3.478) 3.639 21.003 ( 0.000 0.233 0.111) 0.258 21.197 ( 0.000 4.610 -3.316) 5.679 21.284 ( 0.000 -4.081 -3.704) 5.511 22.122 ( 0.000 25.888 8.813) 27.347 22.595 ( 0.000 -21.793 4.663) 22.286 22.784 ( 0.000 12.311 -7.718) 14.530 23.041 ( 0.000 -13.416 -5.324) 14.434 102.831 ( 0.000 1.447 0.234) 1.465 102.852 ( 0.000 -0.636 -0.266) 0.689 103.016 ( 0.000 1.308 0.079) 1.310 103.034 ( 0.000 -0.469 -0.464) 0.660 103.088 ( 0.000 -0.057 0.317) 0.322 103.092 ( 0.000 -0.500 0.062) 0.504 103.141 ( 0.000 0.765 -0.155) 0.781 103.164 ( 0.000 -1.426 -0.552) 1.529 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 4.615 20.186 2.495) 20.856 1.977 ( 2.481 21.177 9.006) 23.146 2.177 ( -0.231 -18.434 -2.883) 18.660 2.221 ( 5.385 -5.153 -2.842) 7.977 2.476 ( 10.745 4.357 -4.811) 12.553 2.601 ( 18.019 -1.189 -8.034) 19.764 2.812 ( 12.264 -11.487 4.638) 17.431 2.854 ( 13.451 -11.592 2.671) 17.956 3.112 ( 1.481 5.016 7.694) 9.303 3.152 ( 8.894 2.666 7.274) 11.795 3.193 ( 2.480 5.236 8.494) 10.281 3.316 ( 0.358 -3.633 6.318) 7.297 3.778 ( -1.251 5.194 -8.791) 10.287 3.866 ( 1.775 -2.831 -7.575) 8.279 4.094 ( -4.931 12.167 3.443) 13.573 4.290 ( -5.206 -6.043 0.655) 8.003 4.572 ( -0.498 5.011 0.620) 5.073 4.668 ( 3.448 -3.902 -0.242) 5.213 4.876 ( -2.899 18.381 5.488) 19.400 5.136 ( 2.414 0.583 -1.609) 2.959 5.300 ( 10.245 9.724 -7.657) 16.067 5.337 ( 0.256 8.291 -5.210) 9.795 5.448 ( -4.188 0.337 -2.925) 5.119 5.501 ( -0.579 0.604 -2.339) 2.484 5.526 ( 1.826 -0.415 -2.509) 3.131 5.558 ( 1.023 -1.753 1.470) 2.506 5.660 ( -0.302 3.436 3.992) 5.275 5.806 ( 1.539 -9.656 -1.430) 9.882 5.896 ( -2.071 16.438 2.868) 16.814 5.974 ( 2.980 -4.881 0.406) 5.733 6.050 ( 3.055 -9.845 0.631) 10.327 6.113 ( 7.114 -3.485 3.735) 8.758 6.243 ( 1.548 -10.187 -2.870) 10.696 6.306 ( -4.621 -8.723 -2.041) 10.080 6.910 ( -4.868 -0.078 -1.514) 5.099 6.923 ( -5.686 -3.065 -1.451) 6.620 7.271 ( -5.598 5.405 -0.017) 7.782 7.367 ( -4.306 -2.369 -3.264) 5.900 7.786 ( -6.311 9.672 -2.331) 11.782 7.873 ( -3.279 4.193 -4.283) 6.832 7.932 ( -3.290 1.851 -0.315) 3.788 7.947 ( -5.653 -2.017 -4.510) 7.508 7.994 ( -0.355 0.981 -1.298) 1.665 8.035 ( -7.694 -3.529 -4.004) 9.364 8.141 ( -4.870 4.384 1.872) 6.815 8.288 ( -0.454 -1.822 2.402) 3.048 8.324 ( -5.230 -4.112 5.199) 8.443 8.366 ( -0.284 -3.857 4.095) 5.633 8.439 ( -5.457 2.273 2.222) 6.315 8.518 ( -6.243 -5.672 1.043) 8.499 8.822 ( -4.918 -0.044 0.862) 4.993 8.853 ( -2.930 -3.513 -0.599) 4.613 9.358 ( -8.769 2.550 -6.838) 11.409 9.382 ( -11.961 -0.482 -5.235) 13.065 9.493 ( -10.257 2.213 -2.378) 10.759 9.519 ( -9.980 -0.717 -1.961) 10.196 9.718 ( -8.226 3.642 2.161) 9.252 9.784 ( -3.015 -2.892 -0.138) 4.180 9.854 ( 4.503 2.038 1.665) 5.215 9.868 ( 4.097 0.505 0.507) 4.159 9.998 ( 1.492 6.936 2.384) 7.484 10.096 ( -1.226 3.731 -4.472) 5.951 10.134 ( 7.292 -0.246 3.012) 7.893 10.178 ( -1.586 -2.018 -2.380) 3.500 10.251 ( 4.743 3.671 0.291) 6.005 10.343 ( -4.735 -1.647 -3.897) 6.350 10.485 ( 2.563 3.674 -0.583) 4.517 10.557 ( -3.942 -0.244 -1.407) 4.193 10.656 ( 8.010 -5.172 -0.376) 9.542 10.669 ( 2.148 -2.532 6.401) 7.211 10.725 ( 2.748 -5.511 0.176) 6.161 10.780 ( -2.499 -9.932 5.026) 11.408 10.975 ( 0.107 1.543 -0.734) 1.712 11.071 ( 0.573 -6.172 -2.073) 6.536 11.376 ( 4.768 9.118 0.190) 10.291 11.488 ( 8.275 -1.147 -2.636) 8.760 11.668 ( 7.446 3.304 3.116) 8.722 11.711 ( 8.460 -0.995 3.539) 9.224 11.854 ( 7.303 1.552 -0.894) 7.519 11.880 ( 5.445 -1.115 -1.566) 5.774 12.236 ( -0.075 6.697 -1.005) 6.772 12.268 ( -1.056 -0.000 -4.423) 4.547 12.324 ( 2.219 8.380 3.590) 9.382 12.379 ( -3.347 -0.114 1.485) 3.664 12.448 ( 2.682 -0.195 0.049) 2.689 12.512 ( 4.460 -6.451 0.330) 7.849 12.777 ( -0.883 2.174 11.886) 12.115 12.910 ( 4.262 -10.574 7.426) 13.606 13.717 ( -0.789 7.225 -8.225) 10.976 13.798 ( 2.305 0.054 -12.461) 12.673 14.081 ( 2.190 3.232 -7.156) 8.151 14.100 ( 2.106 2.244 -9.377) 9.869 14.447 ( -2.750 0.418 3.121) 4.181 14.506 ( -2.058 1.928 2.295) 3.636 14.523 ( 0.660 -2.643 4.374) 5.153 14.613 ( -0.784 -6.264 9.305) 11.244 14.826 ( 5.111 12.024 -5.882) 14.328 15.096 ( 1.166 -15.440 -5.122) 16.309 15.433 ( -3.195 -1.665 11.418) 11.973 15.510 ( -0.094 -9.285 8.644) 12.686 16.382 ( -0.292 5.141 0.020) 5.150 16.402 ( -0.558 1.675 0.501) 1.835 16.470 ( 0.808 -4.509 1.408) 4.792 16.553 ( 1.003 -8.690 -0.111) 8.749 17.751 ( -1.391 1.124 0.473) 1.850 17.820 ( -2.575 -5.431 -1.259) 6.140 17.978 ( -1.185 10.035 3.029) 10.549 18.127 ( -3.334 -3.119 -0.249) 4.572 18.350 ( -0.326 0.108 1.955) 1.985 18.392 ( -1.455 -2.188 2.852) 3.878 18.764 ( -3.196 -0.217 -1.468) 3.524 18.775 ( -3.376 -0.907 -3.317) 4.819 18.896 ( -1.017 5.095 0.473) 5.217 18.991 ( 1.764 -4.475 -0.676) 4.857 19.056 ( -3.163 3.164 -0.347) 4.487 19.119 ( -0.473 -3.124 -0.327) 3.177 19.456 ( -0.572 1.218 -0.718) 1.525 19.465 ( -0.273 0.078 -1.054) 1.092 19.557 ( 1.521 2.262 2.118) 3.452 19.608 ( 4.552 -3.058 0.831) 5.547 20.165 ( -0.285 5.562 -3.670) 6.669 20.223 ( -0.525 -0.405 -4.865) 4.910 20.288 ( -1.337 4.949 -2.133) 5.553 20.342 ( -3.054 0.246 -1.555) 3.436 20.467 ( 0.982 3.044 1.917) 3.729 20.534 ( 0.481 -0.859 0.651) 1.181 20.668 ( -1.214 -1.767 5.381) 5.793 20.715 ( 2.345 -4.584 3.972) 6.503 20.981 ( -0.594 3.215 -0.893) 3.389 21.015 ( 1.251 -0.229 -0.267) 1.299 21.203 ( 0.150 4.509 -1.419) 4.729 21.290 ( 0.662 -4.051 -2.977) 5.070 22.155 ( 3.102 25.860 7.853) 27.204 22.633 ( 3.509 -22.190 4.071) 22.832 22.800 ( 0.971 10.887 -7.653) 13.343 23.044 ( 0.254 -13.399 -5.384) 14.442 102.837 ( 0.568 1.392 0.212) 1.518 102.856 ( 0.406 -0.517 -0.248) 0.703 103.012 ( -0.338 1.354 0.040) 1.396 103.030 ( -0.503 -0.205 -0.492) 0.732 103.088 ( 0.084 -0.037 0.292) 0.306 103.094 ( 0.222 -0.500 0.088) 0.554 103.126 ( -1.055 1.283 0.167) 1.670 103.162 ( -0.348 -2.254 -0.639) 2.368 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 11.020 12.158 2.798) 16.646 2.070 ( 6.921 13.418 8.928) 17.540 2.244 ( 6.030 -11.343 2.727) 13.132 2.351 ( 6.468 -11.854 1.385) 13.574 2.755 ( 13.869 12.956 -3.609) 19.319 2.952 ( 12.951 5.012 -6.903) 15.508 2.986 ( 3.512 -4.986 2.527) 6.602 3.078 ( 9.673 -4.553 0.939) 10.732 3.172 ( 2.267 1.029 1.840) 3.096 3.232 ( 3.174 -4.574 4.210) 6.980 3.445 ( 13.706 0.548 -0.274) 13.719 3.495 ( 13.692 -3.858 1.763) 14.334 3.720 ( -1.790 5.822 -5.125) 7.960 3.871 ( 0.637 -8.941 -3.045) 9.467 4.027 ( -0.843 7.499 5.882) 9.568 4.155 ( -6.414 -5.510 7.479) 11.289 4.576 ( 1.404 11.217 -4.145) 12.040 4.716 ( 2.064 4.319 -1.571) 5.038 4.911 ( 3.967 10.567 6.029) 12.797 5.186 ( -0.540 -4.882 -1.734) 5.209 5.302 ( -4.556 9.718 -2.999) 11.144 5.349 ( 4.944 3.769 0.254) 6.222 5.481 ( -3.598 1.394 -5.360) 6.605 5.544 ( 1.022 5.995 -0.775) 6.131 5.579 ( 8.685 -1.889 -4.407) 9.920 5.613 ( 7.573 0.780 -1.642) 7.788 5.713 ( 2.444 2.704 3.197) 4.848 5.767 ( -2.843 -1.089 6.049) 6.772 5.914 ( 4.780 -1.988 -2.878) 5.923 5.999 ( -11.524 -2.514 -4.072) 12.479 6.063 ( 5.938 -2.392 -0.878) 6.462 6.182 ( 7.731 -11.227 -2.868) 13.929 6.322 ( 10.403 1.345 2.432) 10.768 6.448 ( 8.669 -7.603 -1.715) 11.657 6.755 ( -9.649 0.147 -0.561) 9.666 6.768 ( -8.604 -0.706 -0.008) 8.632 7.121 ( -8.148 9.554 1.678) 12.668 7.232 ( -7.892 2.228 -2.122) 8.470 7.563 ( -14.224 7.247 -2.502) 16.159 7.720 ( -12.637 -0.950 -3.214) 13.074 7.736 ( -12.339 3.470 -1.006) 12.857 7.769 ( -14.057 -11.145 -3.894) 18.357 7.938 ( -0.052 -0.746 -0.481) 0.889 8.004 ( -0.669 -5.882 0.822) 5.976 8.038 ( -4.508 5.403 -2.694) 7.535 8.162 ( -4.751 -3.910 -2.481) 6.635 8.310 ( -3.375 1.532 4.715) 5.997 8.341 ( -0.353 4.189 8.632) 9.601 8.375 ( -5.926 -2.307 4.579) 7.837 8.421 ( 4.883 -5.582 3.686) 8.282 8.707 ( -5.442 0.185 1.302) 5.598 8.767 ( -4.823 -6.089 -0.595) 7.791 9.088 ( -13.120 2.907 -4.742) 14.250 9.144 ( -10.449 -1.858 -4.930) 11.703 9.294 ( -9.907 1.839 -2.497) 10.381 9.317 ( -9.814 -0.456 0.666) 9.847 9.511 ( -11.288 5.768 -3.014) 13.030 9.633 ( -10.489 -5.711 -2.668) 12.237 9.776 ( -10.189 12.228 -2.020) 16.044 9.960 ( 0.456 -3.241 -3.359) 4.689 9.988 ( -0.690 5.335 -2.939) 6.129 10.114 ( 1.966 -4.633 -1.447) 5.237 10.202 ( 0.921 7.122 0.255) 7.186 10.285 ( 5.296 -0.718 -1.341) 5.510 10.310 ( 7.496 -1.406 2.018) 7.889 10.386 ( 7.840 -1.754 1.198) 8.122 10.490 ( -0.446 1.051 2.267) 2.539 10.526 ( 1.861 -0.868 1.443) 2.509 10.692 ( -1.385 -3.108 4.303) 5.486 10.720 ( 1.267 -8.365 5.657) 10.178 10.825 ( 5.990 -1.896 -1.608) 6.486 10.866 ( 8.230 -5.013 -2.330) 9.914 11.008 ( 2.920 2.541 5.021) 6.340 11.120 ( 1.459 -6.683 2.786) 7.386 11.445 ( 1.533 8.249 -1.130) 8.466 11.567 ( -0.374 -2.078 -2.362) 3.168 11.862 ( 7.890 4.280 0.554) 8.993 11.904 ( 8.054 0.164 1.732) 8.239 11.997 ( 4.368 1.285 -3.975) 6.044 12.014 ( 7.624 -0.284 -1.747) 7.827 12.203 ( -2.061 -1.081 1.996) 3.066 12.233 ( -3.085 -2.632 1.075) 4.195 12.366 ( 5.597 9.789 3.533) 11.816 12.444 ( 7.453 5.875 -0.105) 9.491 12.518 ( 3.778 1.553 0.269) 4.093 12.589 ( 1.832 -2.998 -0.696) 3.582 12.755 ( -0.357 5.299 10.156) 11.461 12.982 ( 1.730 -13.395 2.948) 13.824 13.718 ( 1.255 10.096 -7.025) 12.363 13.856 ( 3.360 -2.789 -13.037) 13.749 14.152 ( 4.520 2.579 -4.276) 6.735 14.179 ( 5.576 -0.391 -5.448) 7.806 14.370 ( -4.528 0.222 1.430) 4.753 14.438 ( -3.308 -6.189 -1.351) 7.146 14.579 ( 3.225 0.829 4.748) 5.799 14.590 ( -0.186 -1.619 8.371) 8.528 14.976 ( 8.681 8.927 -4.151) 13.126 15.140 ( 3.070 -7.331 -2.439) 8.314 15.364 ( -2.666 1.790 9.480) 10.009 15.520 ( 1.317 -13.153 3.557) 13.689 16.367 ( -1.180 7.569 0.624) 7.686 16.395 ( -0.021 2.097 0.886) 2.277 16.490 ( 0.542 -7.338 0.190) 7.361 16.559 ( -0.645 -12.128 -0.616) 12.161 17.717 ( -1.675 1.444 0.018) 2.212 17.762 ( -2.370 -3.133 -1.061) 4.069 17.939 ( -2.521 7.840 1.443) 8.360 18.033 ( -5.192 -0.579 -1.315) 5.387 18.353 ( 0.253 -1.059 3.167) 3.349 18.371 ( -0.049 -3.129 3.741) 4.877 18.662 ( -6.142 -0.296 0.165) 6.152 18.689 ( -4.667 -2.777 -0.894) 5.504 18.892 ( 0.216 7.313 -1.376) 7.445 18.996 ( -1.983 5.949 0.295) 6.277 19.012 ( -0.077 -5.055 -1.979) 5.430 19.123 ( 1.284 -6.354 0.697) 6.519 19.421 ( -3.002 2.280 -1.846) 4.197 19.435 ( -2.848 1.006 -2.385) 3.849 19.543 ( -3.078 4.896 2.674) 6.371 19.661 ( -0.995 -6.351 -0.136) 6.430 20.176 ( -1.054 2.270 -2.013) 3.212 20.193 ( -2.203 0.396 -3.762) 4.377 20.244 ( -1.937 5.681 -0.548) 6.027 20.293 ( 0.133 0.162 -2.651) 2.659 20.488 ( 1.060 -0.742 1.727) 2.158 20.502 ( -2.173 -2.051 2.016) 3.605 20.698 ( 3.151 2.352 2.793) 4.823 20.763 ( 1.830 -3.866 0.331) 4.290 20.994 ( 2.023 6.651 2.457) 7.373 21.074 ( 4.503 -1.632 0.025) 4.789 21.195 ( -0.698 6.114 1.375) 6.305 21.312 ( 1.338 -5.216 -1.611) 5.621 22.241 ( 4.930 26.076 5.438) 27.090 22.730 ( 5.517 -22.981 2.608) 23.777 22.798 ( -1.568 10.185 -7.033) 12.476 23.045 ( -0.244 -14.078 -4.924) 14.917 102.854 ( 1.042 1.240 0.147) 1.626 102.869 ( 0.749 -0.184 -0.197) 0.796 103.000 ( -0.900 1.401 -0.043) 1.665 103.011 ( -1.317 0.680 -0.367) 1.527 103.092 ( 0.225 0.001 0.246) 0.334 103.100 ( 0.330 -0.413 0.083) 0.535 103.110 ( -0.354 0.558 0.348) 0.747 103.149 ( -0.809 -2.738 -0.516) 2.901 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 10.990 5.674 1.527) 12.463 2.246 ( 9.102 3.250 4.344) 10.596 2.392 ( 7.430 -3.771 4.876) 9.654 2.480 ( 5.312 -9.436 4.217) 11.620 2.951 ( 4.166 10.081 -1.113) 10.964 3.042 ( 2.176 1.065 0.101) 2.425 3.082 ( -2.835 4.039 4.399) 6.611 3.150 ( 6.283 3.026 4.296) 8.191 3.230 ( 1.613 4.736 -8.022) 9.454 3.437 ( 7.207 -8.739 -7.370) 13.514 3.538 ( -2.785 -2.683 -6.990) 7.989 3.586 ( 3.958 -5.234 -7.284) 9.804 3.809 ( 5.072 7.212 7.602) 11.642 3.980 ( 4.356 -6.941 8.948) 12.133 4.072 ( 2.615 0.261 6.138) 6.677 4.113 ( 7.244 -4.603 3.771) 9.375 4.630 ( 3.309 12.671 -3.234) 13.489 4.781 ( 3.557 6.902 -3.755) 8.625 4.971 ( 1.568 1.295 0.846) 2.202 5.138 ( -2.825 -2.950 -3.418) 5.326 5.267 ( 1.309 12.538 -1.809) 12.735 5.367 ( -4.361 5.310 -5.320) 8.690 5.461 ( 0.923 5.069 0.302) 5.161 5.545 ( 0.531 4.832 2.271) 5.366 5.661 ( -3.127 -7.910 -1.467) 8.631 5.713 ( 2.190 -5.847 3.290) 7.058 5.787 ( 7.250 -1.792 1.316) 7.583 5.841 ( 9.157 -4.280 0.111) 10.108 5.940 ( 5.109 6.679 -4.119) 9.364 6.033 ( 5.836 -3.810 -1.606) 7.152 6.191 ( 4.241 0.671 2.737) 5.092 6.308 ( 1.653 -9.973 -0.069) 10.109 6.483 ( 0.577 4.610 -3.900) 6.066 6.559 ( -0.888 -1.516 -4.468) 4.801 6.619 ( -0.167 3.654 2.900) 4.668 6.659 ( 6.003 0.002 1.964) 6.316 6.975 ( -4.904 5.302 0.438) 7.235 7.105 ( -2.329 3.984 0.957) 4.713 7.249 ( -14.821 -0.342 -5.381) 15.771 7.404 ( -14.893 2.057 2.034) 15.171 7.444 ( -14.342 1.054 0.450) 14.388 7.495 ( -10.954 -16.340 -7.771) 21.151 7.862 ( -11.362 0.711 5.542) 12.661 7.933 ( -7.632 -4.710 1.114) 9.037 7.979 ( 2.109 3.665 1.708) 4.560 8.098 ( -2.437 -4.395 -1.703) 5.307 8.235 ( -1.683 3.507 -1.787) 4.281 8.286 ( -3.030 -2.125 0.804) 3.787 8.405 ( 4.718 6.946 3.651) 9.156 8.551 ( 5.059 -6.180 1.725) 8.171 8.637 ( 0.143 -0.402 2.377) 2.415 8.704 ( 0.716 -5.384 4.525) 7.070 8.874 ( -7.526 4.016 -3.179) 9.104 8.935 ( -8.486 -0.478 -3.713) 9.275 9.110 ( -7.994 1.471 1.131) 8.206 9.146 ( -5.913 -1.207 2.086) 6.385 9.276 ( -10.153 3.864 -4.917) 11.924 9.405 ( -10.013 -7.635 -2.805) 12.900 9.522 ( -13.708 13.486 -1.228) 19.269 9.757 ( -13.923 -7.849 -5.542) 16.917 10.070 ( 5.318 6.850 -0.540) 8.689 10.191 ( 4.979 -3.825 -1.393) 6.432 10.261 ( 2.324 3.959 1.428) 4.808 10.374 ( 3.625 -3.423 -3.956) 6.365 10.457 ( 4.634 3.097 -1.107) 5.683 10.484 ( 1.823 3.550 1.228) 4.176 10.569 ( 5.042 -6.248 0.848) 8.073 10.605 ( 4.929 -5.590 0.231) 7.456 10.652 ( 1.182 5.214 5.035) 7.344 10.782 ( 2.952 -8.553 3.818) 9.821 10.900 ( -0.751 0.891 0.982) 1.523 10.995 ( 0.940 -6.105 -1.329) 6.318 11.088 ( 4.042 0.177 4.123) 5.777 11.134 ( 5.413 -3.155 2.351) 6.691 11.449 ( -1.106 4.636 -3.426) 5.870 11.519 ( -3.328 -0.133 -3.934) 5.155 11.918 ( -0.383 5.109 1.242) 5.272 11.992 ( 0.527 -2.793 0.883) 2.977 12.008 ( -2.824 3.501 -1.458) 4.729 12.076 ( -3.150 -3.246 -0.938) 4.620 12.225 ( 4.301 3.366 3.398) 6.432 12.275 ( 7.882 -1.237 2.141) 8.261 12.516 ( -3.208 4.186 -0.484) 5.296 12.534 ( 5.564 4.536 0.810) 7.224 12.592 ( 2.552 1.495 0.111) 2.960 12.631 ( 7.918 2.514 0.410) 8.318 12.790 ( 2.648 4.524 6.858) 8.632 12.981 ( -1.287 -9.449 0.894) 9.578 13.782 ( 5.010 11.320 -3.900) 12.979 13.944 ( 5.108 -3.965 -9.815) 11.753 14.204 ( -2.661 0.556 0.151) 2.722 14.257 ( -1.422 -5.159 -0.340) 5.363 14.327 ( 3.984 3.227 -1.143) 5.253 14.437 ( 5.475 -6.995 -3.352) 9.495 14.587 ( -0.223 3.848 7.127) 8.102 14.657 ( 3.032 -3.063 1.513) 4.568 15.145 ( 6.647 8.570 -1.858) 11.004 15.215 ( 3.401 4.986 -0.828) 6.092 15.363 ( 3.753 -4.352 5.703) 8.096 15.562 ( 2.258 -17.844 -0.264) 17.989 16.342 ( -0.999 6.585 0.695) 6.696 16.392 ( -0.422 1.850 0.235) 1.913 16.478 ( -1.711 -7.343 -0.032) 7.540 16.523 ( -2.657 -12.074 -0.674) 12.381 17.696 ( 0.057 2.730 -0.203) 2.738 17.736 ( -0.084 -1.338 -1.480) 1.997 17.882 ( -2.773 4.060 0.400) 4.933 17.927 ( -4.850 -0.104 -0.902) 4.935 18.352 ( -0.047 0.262 3.842) 3.852 18.390 ( 1.435 -3.993 2.451) 4.900 18.529 ( -6.262 1.039 0.568) 6.373 18.588 ( -4.917 -4.766 0.138) 6.849 18.890 ( 0.234 6.860 -1.299) 6.986 18.989 ( 0.764 6.065 -0.721) 6.155 19.014 ( 1.173 -1.304 0.098) 1.757 19.159 ( 1.318 -5.431 0.581) 5.619 19.338 ( -4.206 2.835 -4.875) 7.035 19.350 ( -5.004 2.462 -3.893) 6.801 19.445 ( -5.869 2.052 0.956) 6.291 19.568 ( -6.696 -7.115 -2.370) 10.054 20.116 ( -3.072 1.844 2.342) 4.280 20.121 ( -2.364 1.396 1.621) 3.189 20.232 ( -2.288 2.765 3.816) 5.238 20.284 ( -2.856 -2.841 1.247) 4.217 20.517 ( 4.431 1.504 0.108) 4.680 20.547 ( 4.993 -1.157 -1.383) 5.308 20.752 ( 1.443 0.772 0.192) 1.648 20.778 ( -0.541 -1.576 -0.110) 1.670 21.059 ( 3.686 8.788 2.351) 9.815 21.162 ( 1.369 3.517 0.081) 3.775 21.204 ( 3.556 0.656 1.713) 4.002 21.336 ( 0.761 -7.147 -0.430) 7.200 22.353 ( 5.806 26.130 2.404) 26.875 22.730 ( -4.775 13.611 -5.628) 15.484 22.847 ( 5.418 -23.726 0.980) 24.356 23.034 ( -0.899 -16.557 -3.595) 16.967 102.880 ( 1.373 1.045 0.056) 1.726 102.887 ( 1.054 0.283 -0.126) 1.098 102.974 ( -1.585 1.558 -0.040) 2.223 102.980 ( -1.515 0.873 -0.199) 1.760 103.098 ( 0.387 -0.129 0.175) 0.444 103.107 ( 0.247 -0.027 -0.038) 0.251 103.109 ( 0.153 -0.926 0.309) 0.989 103.133 ( -0.724 -2.248 -0.263) 2.376 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 6.618 3.117 2.673) 7.789 2.404 ( 4.951 0.842 3.460) 6.098 2.505 ( 2.492 -5.044 3.729) 6.749 2.534 ( -0.519 -7.315 3.677) 8.203 2.988 ( 1.566 8.669 -0.098) 8.810 3.035 ( -2.172 8.123 1.372) 8.520 3.076 ( 2.556 0.865 -2.057) 3.393 3.165 ( -4.360 -2.645 -2.797) 5.816 3.324 ( 7.583 5.673 0.412) 9.479 3.461 ( 0.490 -4.915 -4.069) 6.399 3.493 ( -3.326 -1.762 -2.303) 4.413 3.583 ( -5.082 -7.341 -5.376) 10.422 3.952 ( 9.208 9.226 5.406) 14.112 4.088 ( -2.396 6.381 4.495) 8.165 4.130 ( 8.242 -6.205 1.154) 10.380 4.221 ( 0.503 -5.927 1.059) 6.042 4.708 ( 4.133 13.361 0.496) 13.995 4.794 ( -3.110 13.211 0.471) 13.581 5.005 ( 2.734 -10.636 -3.116) 11.416 5.073 ( -3.374 -6.641 -4.154) 8.529 5.288 ( 1.664 11.083 -3.195) 11.654 5.353 ( -1.937 3.893 -2.631) 5.083 5.433 ( 1.481 3.624 0.175) 3.919 5.509 ( -3.832 -2.435 -0.860) 4.621 5.694 ( 7.272 1.312 2.068) 7.674 5.817 ( 7.056 -6.717 1.600) 9.873 5.896 ( -6.585 4.963 -0.578) 8.266 5.945 ( 0.548 -1.804 -2.431) 3.076 6.032 ( 5.986 0.234 2.395) 6.452 6.118 ( 5.023 -4.880 1.805) 7.232 6.178 ( -3.429 0.031 5.320) 6.330 6.257 ( -4.429 -6.624 5.949) 9.944 6.534 ( 7.827 4.231 -5.946) 10.701 6.579 ( 1.525 4.280 -4.417) 6.337 6.625 ( -1.388 10.898 -0.716) 11.010 6.778 ( -10.207 -3.347 -3.911) 11.432 6.904 ( 8.964 2.203 -1.329) 9.326 7.076 ( -1.388 -2.984 -6.879) 7.626 7.133 ( -5.127 -6.765 -1.597) 8.638 7.180 ( -7.111 -1.941 -1.537) 7.530 7.263 ( 7.733 2.299 4.327) 9.155 7.408 ( 4.720 -8.865 -1.329) 10.131 7.567 ( -15.315 1.632 5.563) 16.376 7.676 ( -15.230 -7.195 2.131) 16.978 8.049 ( 4.516 3.809 1.755) 6.163 8.100 ( 1.940 0.112 -0.617) 2.039 8.188 ( -4.560 -0.170 -1.045) 4.681 8.202 ( -4.009 -1.114 1.506) 4.425 8.514 ( 6.244 4.182 -1.188) 7.608 8.608 ( 2.819 -3.767 2.382) 5.274 8.650 ( -3.007 1.633 1.856) 3.893 8.723 ( -5.541 -3.340 1.100) 6.563 8.829 ( 7.969 6.534 3.820) 10.990 8.908 ( 4.006 1.858 -2.655) 5.152 8.978 ( -3.440 1.573 0.215) 3.789 9.052 ( -3.965 -3.575 0.364) 5.350 9.137 ( -2.527 3.625 -1.455) 4.652 9.228 ( -11.227 10.853 -0.259) 15.617 9.297 ( 0.015 -9.258 -2.202) 9.516 9.463 ( -13.122 -10.202 -2.684) 16.837 10.182 ( 5.012 5.594 -1.606) 7.680 10.255 ( -1.264 5.004 -1.358) 5.337 10.308 ( 4.459 -4.860 -2.383) 7.013 10.400 ( -2.971 -6.776 -4.066) 8.442 10.512 ( 4.149 4.847 -0.548) 6.404 10.542 ( 3.196 2.306 -0.006) 3.941 10.606 ( 0.376 2.982 -1.966) 3.592 10.650 ( -2.636 -0.516 -0.491) 2.730 10.761 ( 5.570 -3.276 3.919) 7.557 10.820 ( 1.713 -5.912 4.498) 7.624 10.848 ( -3.036 -3.763 5.723) 7.492 10.889 ( -5.424 -5.961 5.752) 9.901 11.255 ( 8.557 1.239 -2.547) 9.013 11.289 ( 7.675 -0.878 -3.675) 8.555 11.392 ( -4.475 2.667 -4.255) 6.726 11.433 ( -5.466 -0.255 -4.706) 7.217 11.908 ( 0.171 4.543 2.197) 5.049 11.939 ( -2.781 3.535 1.531) 4.751 11.986 ( -0.177 -3.856 1.653) 4.199 12.008 ( -2.374 -3.674 1.819) 4.738 12.323 ( 4.434 5.906 0.671) 7.416 12.406 ( -0.100 2.476 -1.186) 2.747 12.431 ( 0.794 -0.083 -0.479) 0.931 12.514 ( -3.570 -3.347 -2.495) 5.493 12.712 ( 5.027 8.096 3.035) 10.001 12.759 ( 1.760 8.752 1.598) 9.069 12.844 ( 3.951 -2.177 4.772) 6.567 12.934 ( -3.458 -5.269 2.217) 6.681 13.914 ( 7.099 9.831 -1.763) 12.254 14.027 ( -0.484 3.533 -4.484) 5.729 14.124 ( -0.752 -5.060 0.100) 5.116 14.189 ( -4.053 -6.957 -0.749) 8.086 14.447 ( 5.955 5.825 0.465) 8.343 14.542 ( -2.030 4.696 2.830) 5.847 14.595 ( 5.269 -7.032 -1.552) 8.923 14.677 ( -1.549 -7.204 -0.332) 7.377 15.244 ( 2.822 11.444 0.418) 11.795 15.260 ( 0.998 12.659 0.735) 12.720 15.494 ( 6.664 -13.656 1.017) 15.229 15.581 ( -1.289 -17.923 -0.717) 17.984 16.337 ( 0.848 3.511 0.213) 3.619 16.371 ( -1.690 0.834 -0.427) 1.932 16.440 ( -0.889 -6.745 0.110) 6.804 16.462 ( -2.655 -9.424 -0.369) 9.797 17.725 ( 2.490 3.951 -1.000) 4.776 17.752 ( 0.914 1.930 -2.098) 2.994 17.828 ( -2.295 -0.667 0.517) 2.445 17.838 ( -3.257 -1.073 0.037) 3.429 18.361 ( 1.263 1.751 2.127) 3.031 18.416 ( -3.690 1.736 0.873) 4.171 18.429 ( 1.816 -4.618 1.429) 5.164 18.494 ( -3.992 -5.558 0.803) 6.890 18.930 ( 3.601 8.228 -0.044) 8.982 19.000 ( -1.356 9.636 0.285) 9.735 19.061 ( 3.506 -3.444 -0.196) 4.918 19.139 ( -2.943 -1.311 0.079) 3.223 19.256 ( -2.701 3.220 -5.189) 6.677 19.279 ( -3.081 6.425 -4.203) 8.273 19.355 ( 0.268 -6.550 -3.347) 7.361 19.433 ( -5.712 -7.174 -3.748) 9.907 20.098 ( 1.158 1.472 5.903) 6.193 20.112 ( 1.758 0.084 4.491) 4.824 20.157 ( -3.742 1.447 6.519) 7.655 20.193 ( -4.885 -2.364 4.898) 7.311 20.634 ( 5.678 2.206 -1.391) 6.248 20.666 ( 5.325 -0.823 -1.961) 5.734 20.732 ( -3.169 0.919 -1.118) 3.484 20.751 ( -2.291 -0.885 -0.361) 2.483 21.127 ( 2.548 9.541 1.533) 9.994 21.160 ( -0.757 9.338 1.455) 9.481 21.290 ( 3.380 -6.629 -0.143) 7.442 21.335 ( -1.029 -8.028 -0.200) 8.096 22.480 ( 6.322 24.103 -0.573) 24.925 22.612 ( -6.270 19.237 -3.322) 20.504 22.945 ( 3.830 -22.807 -0.589) 23.134 23.005 ( -2.029 -20.115 -2.061) 20.322 102.909 ( 1.416 1.062 -0.003) 1.770 102.913 ( 1.494 0.641 -0.096) 1.629 102.940 ( -1.557 1.393 0.024) 2.090 102.947 ( -1.658 0.669 -0.142) 1.794 103.107 ( 0.411 -0.502 0.076) 0.653 103.110 ( 0.074 -0.459 -0.003) 0.465 103.112 ( 0.172 -1.064 0.134) 1.086 103.120 ( -0.535 -1.414 -0.047) 1.512 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 0.000 26.236) 26.236 1.337 ( 0.000 0.000 33.685) 33.685 1.508 ( 0.000 0.000 -24.203) 24.203 1.932 ( 0.000 0.000 -23.894) 23.894 2.152 ( 0.000 0.000 43.319) 43.319 2.751 ( 0.000 0.000 4.761) 4.761 2.825 ( 0.000 0.000 -2.392) 2.392 2.841 ( 0.000 0.000 -17.253) 17.253 2.988 ( 0.000 0.000 3.837) 3.837 3.177 ( 0.000 0.000 1.148) 1.148 3.177 ( 0.000 0.000 -21.712) 21.712 3.211 ( 0.000 0.000 -2.723) 2.723 3.598 ( 0.000 0.000 6.776) 6.776 3.691 ( 0.000 0.000 -3.238) 3.238 3.970 ( 0.000 0.000 16.379) 16.379 4.113 ( 0.000 0.000 0.052) 0.052 4.129 ( 0.000 0.000 -1.093) 1.093 4.223 ( 0.000 0.000 -8.751) 8.751 4.431 ( 0.000 0.000 -0.539) 0.539 4.455 ( 0.000 0.000 -3.904) 3.904 4.881 ( 0.000 0.000 3.854) 3.854 4.972 ( 0.000 0.000 -5.522) 5.522 5.229 ( 0.000 0.000 8.981) 8.981 5.239 ( 0.000 0.000 10.374) 10.374 5.628 ( 0.000 0.000 3.682) 3.682 5.682 ( 0.000 0.000 -3.852) 3.852 5.707 ( 0.000 0.000 -4.335) 4.335 5.821 ( 0.000 0.000 -15.588) 15.588 5.824 ( 0.000 0.000 1.251) 1.251 5.838 ( 0.000 0.000 -0.393) 0.393 6.296 ( 0.000 0.000 7.374) 7.374 6.468 ( 0.000 0.000 -10.836) 10.836 6.500 ( 0.000 0.000 10.712) 10.712 6.715 ( 0.000 0.000 -11.187) 11.187 6.941 ( 0.000 0.000 7.080) 7.080 6.995 ( 0.000 0.000 1.282) 1.282 7.025 ( 0.000 0.000 -1.711) 1.711 7.061 ( 0.000 0.000 -4.873) 4.873 7.458 ( 0.000 0.000 5.722) 5.722 7.610 ( 0.000 0.000 -8.874) 8.874 7.839 ( 0.000 0.000 6.784) 6.784 7.900 ( 0.000 0.000 0.958) 0.958 7.920 ( 0.000 0.000 -1.134) 1.134 7.977 ( 0.000 0.000 -5.392) 5.392 8.147 ( 0.000 0.000 0.668) 0.668 8.176 ( 0.000 0.000 -2.426) 2.426 8.620 ( 0.000 0.000 0.766) 0.766 8.634 ( 0.000 0.000 -0.353) 0.353 8.835 ( 0.000 0.000 6.185) 6.185 8.947 ( 0.000 0.000 -5.355) 5.355 9.191 ( 0.000 0.000 11.781) 11.781 9.244 ( 0.000 0.000 3.298) 3.298 9.307 ( 0.000 0.000 -3.047) 3.047 9.413 ( 0.000 0.000 2.458) 2.458 9.416 ( 0.000 0.000 -11.179) 11.179 9.465 ( 0.000 0.000 -2.321) 2.321 9.686 ( 0.000 0.000 1.856) 1.856 9.698 ( 0.000 0.000 3.313) 3.313 9.718 ( 0.000 0.000 -1.351) 1.351 9.758 ( 0.000 0.000 -3.806) 3.806 9.979 ( 0.000 0.000 -1.581) 1.581 9.982 ( 0.000 0.000 -1.705) 1.705 10.040 ( 0.000 0.000 4.749) 4.749 10.142 ( 0.000 0.000 -5.106) 5.106 10.283 ( 0.000 0.000 2.396) 2.396 10.312 ( 0.000 0.000 -0.408) 0.408 10.450 ( 0.000 0.000 7.688) 7.688 10.490 ( 0.000 0.000 2.068) 2.068 10.578 ( 0.000 0.000 2.188) 2.188 10.696 ( 0.000 0.000 -7.221) 7.221 10.889 ( 0.000 0.000 1.909) 1.909 10.906 ( 0.000 0.000 0.460) 0.460 11.254 ( 0.000 0.000 6.072) 6.072 11.331 ( 0.000 0.000 -2.566) 2.566 11.361 ( 0.000 0.000 7.327) 7.327 11.482 ( 0.000 0.000 -4.430) 4.430 11.595 ( 0.000 0.000 4.083) 4.083 11.668 ( 0.000 0.000 -3.849) 3.849 11.690 ( 0.000 0.000 4.922) 4.922 11.765 ( 0.000 0.000 -2.408) 2.408 11.820 ( 0.000 0.000 5.612) 5.612 11.823 ( 0.000 0.000 0.761) 0.761 11.867 ( 0.000 0.000 -3.121) 3.121 11.939 ( 0.000 0.000 -4.815) 4.815 12.767 ( 0.000 0.000 0.175) 0.175 12.790 ( 0.000 0.000 -1.726) 1.726 13.039 ( 0.000 0.000 10.881) 10.881 13.254 ( 0.000 0.000 -11.179) 11.179 13.477 ( 0.000 0.000 -2.507) 2.507 13.507 ( 0.000 0.000 -5.132) 5.132 13.562 ( 0.000 0.000 8.520) 8.520 13.782 ( 0.000 0.000 -14.353) 14.353 14.103 ( 0.000 0.000 3.359) 3.359 14.171 ( 0.000 0.000 -3.789) 3.789 14.865 ( 0.000 0.000 4.965) 4.965 14.930 ( 0.000 0.000 -1.679) 1.679 15.700 ( 0.000 0.000 8.909) 8.909 15.826 ( 0.000 0.000 -4.403) 4.403 16.126 ( 0.000 0.000 3.167) 3.167 16.213 ( 0.000 0.000 -5.864) 5.864 16.651 ( 0.000 0.000 4.396) 4.396 16.686 ( 0.000 0.000 1.848) 1.848 16.895 ( 0.000 0.000 10.537) 10.537 17.131 ( 0.000 0.000 -13.001) 13.001 17.776 ( 0.000 0.000 3.805) 3.805 17.895 ( 0.000 0.000 -8.850) 8.850 18.187 ( 0.000 0.000 1.135) 1.135 18.215 ( 0.000 0.000 -1.875) 1.875 18.310 ( 0.000 0.000 0.861) 0.861 18.323 ( 0.000 0.000 -0.389) 0.389 18.395 ( 0.000 0.000 5.105) 5.105 18.464 ( 0.000 0.000 -1.810) 1.810 19.134 ( 0.000 0.000 3.989) 3.989 19.142 ( 0.000 0.000 2.657) 2.657 19.167 ( 0.000 0.000 0.373) 0.373 19.196 ( 0.000 0.000 -2.330) 2.330 19.517 ( 0.000 0.000 6.921) 6.921 19.594 ( 0.000 0.000 7.884) 7.884 19.690 ( 0.000 0.000 -7.006) 7.006 19.703 ( 0.000 0.000 2.868) 2.868 19.801 ( 0.000 0.000 -9.639) 9.639 19.807 ( 0.000 0.000 -7.592) 7.592 19.971 ( 0.000 0.000 12.268) 12.268 20.208 ( 0.000 0.000 -11.859) 11.859 20.258 ( 0.000 0.000 1.470) 1.470 20.266 ( 0.000 0.000 0.913) 0.913 20.428 ( 0.000 0.000 0.970) 0.970 20.490 ( 0.000 0.000 -5.028) 5.028 20.955 ( 0.000 0.000 0.761) 0.761 20.975 ( 0.000 0.000 -1.279) 1.279 21.147 ( 0.000 0.000 7.410) 7.410 21.251 ( 0.000 0.000 -1.837) 1.837 21.554 ( 0.000 0.000 9.446) 9.446 21.746 ( 0.000 0.000 -8.954) 8.954 23.401 ( 0.000 0.000 3.254) 3.254 23.469 ( 0.000 0.000 -3.616) 3.616 102.776 ( 0.000 0.000 1.132) 1.132 102.801 ( 0.000 0.000 -1.485) 1.485 102.920 ( 0.000 0.000 1.238) 1.238 102.940 ( 0.000 0.000 -0.879) 0.879 103.101 ( 0.000 0.000 0.573) 0.573 103.113 ( 0.000 0.000 -0.566) 0.566 103.218 ( 0.000 0.000 0.199) 0.199 103.222 ( 0.000 0.000 -0.222) 0.222 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 20.724 0.000 20.998) 29.503 1.413 ( 9.070 0.000 31.327) 32.614 1.672 ( 14.646 0.000 -21.083) 25.671 1.999 ( 5.113 0.000 -28.843) 29.292 2.456 ( 25.704 0.000 37.724) 45.648 2.697 ( -4.401 0.000 6.749) 8.057 2.820 ( -1.089 0.000 -5.539) 5.645 2.992 ( 13.851 0.000 -12.172) 18.439 3.148 ( 10.271 0.000 1.228) 10.344 3.183 ( 0.742 0.000 1.527) 1.698 3.218 ( 1.074 0.000 -2.393) 2.624 3.301 ( 8.938 0.000 -15.983) 18.312 3.695 ( 8.928 0.000 5.959) 10.734 3.815 ( 9.540 0.000 -6.446) 11.513 3.968 ( -0.432 0.000 16.585) 16.591 4.139 ( 3.098 0.000 0.149) 3.102 4.157 ( 4.841 0.000 -2.038) 5.253 4.219 ( -0.940 0.000 -7.684) 7.741 4.369 ( -5.596 0.000 -0.125) 5.598 4.415 ( -3.376 0.000 -6.485) 7.311 4.936 ( 4.797 0.000 4.551) 6.613 5.033 ( 5.114 0.000 -5.381) 7.423 5.082 ( -5.600 0.000 11.136) 12.465 5.281 ( -3.320 0.000 -6.335) 7.152 5.644 ( 2.242 0.000 2.108) 3.077 5.683 ( 2.310 0.000 5.441) 5.911 5.686 ( -0.314 0.000 -2.044) 2.068 5.872 ( 2.043 0.000 -11.481) 11.662 5.888 ( 4.926 0.000 1.564) 5.168 5.910 ( 5.540 0.000 -0.829) 5.601 6.243 ( -3.334 0.000 9.035) 9.630 6.459 ( -1.553 0.000 -13.371) 13.460 6.515 ( 1.514 0.000 9.198) 9.322 6.696 ( -2.284 0.000 -9.172) 9.452 6.847 ( -10.582 0.000 5.355) 11.859 6.963 ( -6.639 0.000 -5.933) 8.904 6.965 ( 0.919 0.000 6.899) 6.960 7.074 ( -1.038 0.000 -3.936) 4.070 7.431 ( -2.134 0.000 5.134) 5.559 7.562 ( -2.505 0.000 -8.208) 8.582 7.774 ( -2.339 0.000 4.355) 4.943 7.903 ( -4.003 0.000 -8.281) 9.198 7.919 ( 1.124 0.000 1.293) 1.714 7.951 ( 1.534 0.000 -2.063) 2.571 8.203 ( 1.029 0.000 2.914) 3.090 8.237 ( 4.488 0.000 0.538) 4.520 8.599 ( -1.919 0.000 1.654) 2.533 8.637 ( -1.216 0.000 -2.600) 2.871 8.719 ( -10.678 0.000 3.801) 11.335 8.805 ( -12.228 0.000 -4.806) 13.139 9.124 ( -5.652 0.000 10.743) 12.140 9.186 ( -6.627 0.000 1.932) 6.903 9.194 ( -6.606 0.000 1.406) 6.753 9.308 ( -8.877 0.000 -8.064) 11.993 9.437 ( -8.310 0.000 2.708) 8.740 9.447 ( -11.733 0.000 4.151) 12.446 9.481 ( 3.583 0.000 0.895) 3.693 9.575 ( -10.523 0.000 1.869) 10.688 9.612 ( -7.954 0.000 -2.006) 8.203 9.612 ( -5.103 0.000 -9.632) 10.900 10.032 ( 4.840 0.000 3.306) 5.861 10.123 ( 8.753 0.000 -5.919) 10.566 10.135 ( 0.400 0.000 2.144) 2.181 10.170 ( -0.744 0.000 -1.110) 1.336 10.310 ( 4.164 0.000 3.336) 5.336 10.361 ( 4.763 0.000 -1.997) 5.165 10.404 ( 3.302 0.000 1.642) 3.688 10.451 ( -1.745 0.000 -2.972) 3.446 10.736 ( 7.472 0.000 6.740) 10.063 10.855 ( 2.455 0.000 -1.635) 2.949 10.914 ( 12.395 0.000 0.889) 12.426 10.981 ( 5.077 0.000 -2.019) 5.463 11.249 ( -0.504 0.000 4.981) 5.006 11.298 ( -4.985 0.000 6.279) 8.017 11.316 ( -1.115 0.000 -2.382) 2.630 11.403 ( -5.658 0.000 -4.682) 7.344 11.639 ( 3.767 0.000 6.377) 7.407 11.743 ( 5.797 0.000 -4.440) 7.302 11.774 ( 6.450 0.000 5.946) 8.773 11.859 ( 7.185 0.000 -1.923) 7.437 11.878 ( 5.155 0.000 5.037) 7.207 11.962 ( 13.443 0.000 2.493) 13.672 11.983 ( 3.884 0.000 -3.821) 5.449 12.051 ( 13.799 0.000 -5.201) 14.747 12.648 ( -8.760 0.000 -0.729) 8.790 12.671 ( -9.175 0.000 -2.855) 9.609 13.033 ( 0.031 0.000 9.868) 9.868 13.201 ( -4.261 0.000 -7.901) 8.977 13.393 ( -7.671 0.000 -2.845) 8.181 13.435 ( -6.038 0.000 -6.273) 8.707 13.798 ( 19.771 0.000 9.177) 21.797 14.021 ( 19.917 0.000 -14.071) 24.386 14.125 ( 2.207 0.000 3.940) 4.516 14.207 ( 3.398 0.000 -4.627) 5.741 14.830 ( -3.467 0.000 5.537) 6.533 14.903 ( -3.015 0.000 -1.969) 3.601 15.724 ( 2.418 0.000 10.139) 10.424 15.868 ( -31.660 0.000 14.414) 34.787 15.873 ( 4.356 0.000 -5.542) 7.049 16.016 ( -15.802 0.000 -3.491) 16.183 16.322 ( -13.357 0.000 4.716) 14.165 16.411 ( -7.870 0.000 -4.944) 9.294 17.039 ( 7.099 0.000 12.811) 14.647 17.297 ( 3.636 0.000 -12.447) 12.968 17.727 ( -3.826 0.000 6.103) 7.203 17.882 ( -1.962 0.000 -10.896) 11.071 18.185 ( -0.145 0.000 0.951) 0.962 18.210 ( -0.504 0.000 -1.631) 1.707 18.309 ( -0.115 0.000 0.944) 0.951 18.324 ( 0.020 0.000 -0.493) 0.494 18.361 ( -1.913 0.000 5.209) 5.549 18.454 ( -1.522 0.000 -4.729) 4.968 19.028 ( -8.700 0.000 3.394) 9.338 19.081 ( -8.918 0.000 -1.754) 9.089 19.087 ( -4.628 0.000 2.398) 5.212 19.124 ( -4.324 0.000 -0.961) 4.430 19.590 ( -1.551 0.000 10.535) 10.648 19.642 ( 9.107 0.000 6.875) 11.411 19.694 ( -0.653 0.000 5.563) 5.601 19.788 ( 6.071 0.000 -6.874) 9.171 19.831 ( 1.201 0.000 -8.309) 8.395 19.864 ( 4.216 0.000 -10.689) 11.491 20.017 ( 3.799 0.000 10.110) 10.800 20.223 ( 1.774 0.000 -11.001) 11.143 20.232 ( -1.616 0.000 2.805) 3.237 20.271 ( 0.310 0.000 -0.931) 0.982 20.485 ( 6.071 0.000 0.364) 6.082 20.538 ( 6.722 0.000 -4.481) 8.079 20.935 ( -2.109 0.000 0.518) 2.172 20.951 ( -2.170 0.000 -0.944) 2.367 21.123 ( -1.923 0.000 8.416) 8.633 21.222 ( -3.047 0.000 -0.441) 3.079 21.674 ( 9.328 0.000 13.521) 16.427 22.012 ( 17.404 0.000 -21.214) 27.439 23.418 ( 1.874 0.000 2.903) 3.456 23.483 ( 1.312 0.000 -4.020) 4.229 102.781 ( 0.486 0.000 1.019) 1.129 102.804 ( 0.259 0.000 -1.350) 1.375 102.915 ( -0.395 0.000 1.218) 1.280 102.936 ( -0.413 0.000 -0.880) 0.973 103.105 ( 0.351 0.000 0.393) 0.527 103.112 ( 0.036 0.000 -0.312) 0.314 103.202 ( -0.380 0.000 2.116) 2.150 103.242 ( 0.532 0.000 -2.273) 2.334 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 19.334 0.000 20.369) 28.084 1.778 ( 26.606 0.000 13.210) 29.704 2.045 ( 19.433 0.000 -14.246) 24.096 2.152 ( 10.044 0.000 -23.091) 25.181 2.602 ( -3.968 0.000 8.530) 9.408 2.779 ( -2.259 0.000 -9.582) 9.845 3.023 ( 24.461 0.000 23.551) 33.956 3.223 ( 3.440 0.000 2.554) 4.285 3.248 ( -0.762 0.000 7.015) 7.056 3.268 ( 3.767 0.000 -2.143) 4.334 3.328 ( 15.808 0.000 -4.884) 16.546 3.484 ( 8.528 0.000 -12.837) 15.412 3.877 ( 5.160 0.000 1.185) 5.294 3.916 ( 1.291 0.000 -2.881) 3.157 3.942 ( -2.277 0.000 16.401) 16.559 4.145 ( -6.632 0.000 -2.962) 7.263 4.218 ( -8.325 0.000 0.953) 8.380 4.321 ( 15.063 0.000 3.108) 15.380 4.353 ( -2.290 0.000 -14.515) 14.695 4.412 ( 16.896 0.000 -6.530) 18.114 5.039 ( 4.070 0.000 5.344) 6.717 5.058 ( 3.285 0.000 4.261) 5.381 5.139 ( 4.022 0.000 -5.025) 6.436 5.191 ( -2.722 0.000 -9.096) 9.495 5.721 ( 3.682 0.000 2.278) 4.330 5.726 ( 0.508 0.000 8.044) 8.060 5.742 ( 6.751 0.000 -0.068) 6.751 5.868 ( -1.290 0.000 -5.915) 6.054 5.994 ( 4.362 0.000 2.020) 4.807 6.024 ( 5.396 0.000 -0.980) 5.484 6.222 ( 2.170 0.000 6.937) 7.269 6.407 ( -2.990 0.000 -11.511) 11.893 6.500 ( -8.690 0.000 7.004) 11.161 6.606 ( 0.254 0.000 1.717) 1.736 6.702 ( -3.518 0.000 -1.033) 3.667 6.834 ( -2.605 0.000 -8.343) 8.740 6.914 ( -5.611 0.000 2.639) 6.200 6.970 ( -7.791 0.000 -2.616) 8.218 7.419 ( 1.401 0.000 6.445) 6.596 7.535 ( -1.799 0.000 -5.336) 5.631 7.821 ( 6.378 0.000 -1.513) 6.555 7.870 ( 0.587 0.000 -5.615) 5.646 7.907 ( -3.208 0.000 0.614) 3.266 7.931 ( -3.664 0.000 -1.929) 4.141 8.159 ( -3.101 0.000 8.550) 9.095 8.309 ( 1.042 0.000 -5.111) 5.216 8.420 ( -17.334 0.000 3.008) 17.593 8.497 ( -16.856 0.000 -4.585) 17.469 8.537 ( -3.298 0.000 2.009) 3.862 8.579 ( -2.352 0.000 -2.505) 3.436 8.985 ( -7.184 0.000 7.303) 10.244 9.052 ( -4.658 0.000 3.334) 5.728 9.075 ( -6.170 0.000 0.748) 6.215 9.113 ( -9.003 0.000 -5.849) 10.736 9.121 ( -13.502 0.000 6.617) 15.037 9.255 ( -11.371 0.000 -4.413) 12.198 9.341 ( -10.143 0.000 3.562) 10.750 9.417 ( -9.532 0.000 -4.223) 10.426 9.589 ( 2.288 0.000 -1.932) 2.995 9.592 ( 1.746 0.000 -2.263) 2.859 10.037 ( -5.949 0.000 2.627) 6.503 10.133 ( 5.183 0.000 7.431) 9.060 10.139 ( -2.086 0.000 -7.093) 7.393 10.281 ( 6.569 0.000 -7.528) 9.992 10.454 ( 7.853 0.000 2.402) 8.212 10.457 ( 2.109 0.000 1.484) 2.579 10.496 ( 2.996 0.000 -2.233) 3.736 10.497 ( 7.206 0.000 -1.941) 7.463 10.826 ( 0.753 0.000 7.101) 7.140 10.875 ( -0.050 0.000 3.075) 3.075 11.091 ( 5.065 0.000 2.256) 5.545 11.171 ( 5.358 0.000 -5.509) 7.685 11.206 ( -1.655 0.000 6.274) 6.489 11.241 ( 0.190 0.000 4.302) 4.306 11.307 ( 0.672 0.000 -2.687) 2.769 11.332 ( 3.252 0.000 -6.253) 7.049 11.719 ( 3.250 0.000 8.490) 9.090 11.842 ( 2.893 0.000 -3.873) 4.834 11.900 ( 5.554 0.000 6.629) 8.648 12.008 ( 6.643 0.000 4.053) 7.782 12.015 ( 6.942 0.000 -4.468) 8.256 12.085 ( 5.428 0.000 -2.724) 6.073 12.272 ( 11.900 0.000 1.572) 12.003 12.300 ( 8.659 0.000 -0.129) 8.660 12.461 ( -8.369 0.000 -0.794) 8.407 12.500 ( -6.665 0.000 -5.209) 8.459 13.026 ( -3.560 0.000 10.741) 11.315 13.158 ( 1.883 0.000 1.360) 2.323 13.208 ( -7.134 0.000 -7.300) 10.207 13.331 ( -0.857 0.000 -11.084) 11.117 14.187 ( 3.387 0.000 5.737) 6.662 14.274 ( 24.239 0.000 9.365) 25.985 14.303 ( 5.295 0.000 -6.192) 8.147 14.493 ( 23.487 0.000 -13.538) 27.109 14.718 ( -7.300 0.000 5.877) 9.372 14.783 ( -8.217 0.000 0.111) 8.218 15.315 ( -18.389 0.000 13.722) 22.945 15.523 ( -24.432 0.000 -7.701) 25.617 15.803 ( 5.261 0.000 12.250) 13.332 15.993 ( 6.757 0.000 -7.677) 10.227 16.217 ( -0.818 0.000 6.014) 6.069 16.337 ( -1.511 0.000 -6.201) 6.382 17.127 ( 1.393 0.000 7.063) 7.199 17.272 ( -4.782 0.000 -6.823) 8.332 17.650 ( -2.715 0.000 7.206) 7.701 17.820 ( -3.216 0.000 -10.849) 11.315 18.181 ( -0.203 0.000 0.532) 0.569 18.197 ( -0.586 0.000 -1.049) 1.201 18.303 ( -0.463 0.000 0.988) 1.091 18.320 ( -0.459 0.000 -0.612) 0.765 18.330 ( -1.199 0.000 4.535) 4.691 18.417 ( -1.516 0.000 -4.727) 4.964 18.831 ( -9.532 0.000 1.860) 9.712 18.870 ( -10.780 0.000 -1.787) 10.927 18.969 ( -6.442 0.000 1.212) 6.555 18.999 ( -7.100 0.000 -1.735) 7.309 19.496 ( -7.380 0.000 10.485) 12.822 19.668 ( -2.302 0.000 7.590) 7.931 19.710 ( -7.541 0.000 -10.481) 12.912 19.814 ( -3.324 0.000 -7.247) 7.973 19.922 ( 9.269 0.000 4.276) 10.207 19.959 ( 8.262 0.000 1.873) 8.471 20.124 ( 4.521 0.000 4.878) 6.651 20.219 ( 1.050 0.000 4.330) 4.455 20.287 ( 4.281 0.000 -11.073) 11.872 20.305 ( 3.467 0.000 -3.992) 5.288 20.719 ( 15.753 0.000 0.761) 15.772 20.765 ( 13.511 0.000 -2.521) 13.744 20.860 ( -4.924 0.000 1.608) 5.180 20.895 ( -3.280 0.000 -1.705) 3.697 21.064 ( -3.899 0.000 6.247) 7.364 21.133 ( -4.775 0.000 1.413) 4.980 21.834 ( 4.486 0.000 16.753) 17.344 22.241 ( 3.345 0.000 -23.795) 24.029 23.486 ( 4.532 0.000 1.401) 4.743 23.527 ( 3.070 0.000 -3.065) 4.338 102.796 ( 0.887 0.000 0.711) 1.137 102.812 ( 0.502 0.000 -0.984) 1.105 102.904 ( -0.706 0.000 1.135) 1.337 102.923 ( -0.787 0.000 -0.858) 1.164 103.116 ( 0.715 0.000 0.173) 0.736 103.119 ( 0.712 0.000 -0.088) 0.718 103.198 ( -0.089 0.000 2.073) 2.075 103.240 ( -0.650 0.000 -2.236) 2.328 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 21.512 0.000 10.842) 24.090 2.276 ( 17.337 0.000 4.973) 18.036 2.383 ( 9.728 0.000 -5.947) 11.402 2.404 ( 13.540 0.000 -13.715) 19.272 2.587 ( 5.980 0.000 9.272) 11.033 2.783 ( 4.656 0.000 -11.011) 11.955 3.143 ( -8.337 0.000 10.590) 13.478 3.261 ( -3.219 0.000 2.578) 4.124 3.327 ( 6.425 0.000 2.667) 6.956 3.372 ( 6.204 0.000 -2.017) 6.524 3.608 ( 12.003 0.000 0.264) 12.006 3.720 ( 12.847 0.000 -7.220) 14.737 3.859 ( -6.080 0.000 12.508) 13.908 3.921 ( 3.024 0.000 3.424) 4.569 3.966 ( -9.894 0.000 -0.967) 9.941 3.981 ( 3.762 0.000 -3.201) 4.940 4.057 ( -6.201 0.000 3.959) 7.357 4.283 ( -5.466 0.000 -16.851) 17.716 4.625 ( 10.480 0.000 4.031) 11.228 4.716 ( 11.500 0.000 -7.125) 13.528 5.092 ( 1.430 0.000 4.642) 4.857 5.134 ( 2.104 0.000 1.064) 2.358 5.175 ( -1.284 0.000 -3.243) 3.488 5.182 ( 0.338 0.000 -4.575) 4.587 5.767 ( 5.629 0.000 6.150) 8.337 5.786 ( 2.313 0.000 6.294) 6.705 5.888 ( 5.191 0.000 -3.913) 6.501 5.895 ( 4.027 0.000 -6.311) 7.487 6.009 ( -3.133 0.000 7.396) 8.032 6.134 ( 2.107 0.000 -4.690) 5.142 6.300 ( 2.753 0.000 5.357) 6.023 6.374 ( 1.504 0.000 10.535) 10.642 6.396 ( 5.769 0.000 -4.841) 7.531 6.594 ( 3.235 0.000 -10.923) 11.392 6.774 ( 7.326 0.000 3.977) 8.336 6.799 ( -4.633 0.000 -2.703) 5.364 6.809 ( -6.491 0.000 -2.259) 6.873 6.859 ( 3.461 0.000 -4.353) 5.561 7.436 ( -1.307 0.000 2.716) 3.014 7.454 ( -5.950 0.000 0.284) 5.956 7.773 ( -8.030 0.000 2.796) 8.503 7.834 ( -5.475 0.000 -3.425) 6.458 7.879 ( 0.209 0.000 1.744) 1.756 7.949 ( 3.917 0.000 -4.837) 6.224 8.030 ( -19.322 0.000 3.934) 19.719 8.119 ( -18.981 0.000 -5.030) 19.636 8.167 ( 4.748 0.000 6.303) 7.891 8.308 ( 0.703 0.000 -7.053) 7.088 8.501 ( 0.175 0.000 6.713) 6.715 8.592 ( 2.389 0.000 -0.702) 2.490 8.852 ( -10.363 0.000 6.234) 12.094 8.854 ( -4.827 0.000 4.366) 6.509 8.930 ( -7.541 0.000 2.620) 7.983 8.942 ( -7.310 0.000 -4.489) 8.578 8.997 ( -3.329 0.000 -0.539) 3.372 9.026 ( -9.146 0.000 -5.560) 10.703 9.196 ( -3.895 0.000 2.258) 4.502 9.257 ( -5.515 0.000 -4.008) 6.818 9.503 ( -6.984 0.000 -0.151) 6.986 9.613 ( -4.428 0.000 -9.432) 10.419 9.978 ( 2.270 0.000 7.089) 7.443 10.139 ( 2.334 0.000 -9.160) 9.453 10.259 ( 6.823 0.000 7.780) 10.348 10.404 ( 5.238 0.000 -7.041) 8.775 10.488 ( 0.084 0.000 1.402) 1.405 10.516 ( -2.046 0.000 -0.857) 2.218 10.578 ( 3.506 0.000 1.478) 3.805 10.603 ( 2.171 0.000 -0.988) 2.385 10.808 ( -1.030 0.000 2.793) 2.977 10.828 ( -2.784 0.000 0.843) 2.909 11.069 ( -4.073 0.000 4.267) 5.899 11.138 ( -4.415 0.000 -2.493) 5.070 11.274 ( 3.118 0.000 4.505) 5.478 11.336 ( 10.292 0.000 9.464) 13.982 11.347 ( 2.861 0.000 -3.147) 4.253 11.524 ( 9.617 0.000 -9.608) 13.594 11.763 ( 1.180 0.000 8.361) 8.444 11.863 ( -0.504 0.000 -1.219) 1.319 12.004 ( 4.519 0.000 7.413) 8.682 12.126 ( 4.328 0.000 2.463) 4.980 12.141 ( 5.437 0.000 -6.021) 8.113 12.180 ( 3.138 0.000 -3.275) 4.536 12.317 ( -3.275 0.000 5.412) 6.326 12.328 ( -4.120 0.000 0.200) 4.125 12.392 ( -3.951 0.000 -6.645) 7.731 12.429 ( 0.943 0.000 -5.069) 5.156 12.895 ( -6.981 0.000 8.912) 11.321 13.022 ( -8.284 0.000 -3.522) 9.002 13.345 ( 12.749 0.000 3.141) 13.130 13.494 ( 13.283 0.000 -11.125) 17.327 14.243 ( 1.051 0.000 7.427) 7.501 14.345 ( -4.608 0.000 -1.949) 5.003 14.609 ( 1.534 0.000 -0.189) 1.545 14.630 ( -5.047 0.000 -0.215) 5.051 14.746 ( 20.138 0.000 8.287) 21.776 14.926 ( 16.814 0.000 -10.363) 19.751 15.030 ( -12.149 0.000 6.347) 13.707 15.137 ( -11.907 0.000 -3.948) 12.544 15.939 ( 7.586 0.000 11.115) 13.457 16.127 ( 5.287 0.000 -8.320) 9.858 16.237 ( 2.678 0.000 4.881) 5.567 16.334 ( 1.178 0.000 -4.999) 5.136 17.083 ( -5.594 0.000 1.630) 5.827 17.130 ( -8.030 0.000 -3.009) 8.575 17.651 ( 3.024 0.000 4.972) 5.819 17.777 ( -0.630 0.000 -8.177) 8.201 18.175 ( -0.370 0.000 0.576) 0.684 18.190 ( -0.160 0.000 -0.829) 0.844 18.288 ( -0.984 0.000 0.749) 1.236 18.303 ( -1.170 0.000 -0.641) 1.335 18.307 ( -1.003 0.000 5.269) 5.363 18.397 ( -0.774 0.000 -3.831) 3.908 18.644 ( -8.361 0.000 0.954) 8.415 18.668 ( -7.687 0.000 -1.325) 7.801 18.836 ( -5.801 0.000 0.821) 5.859 18.859 ( -5.809 0.000 -1.598) 6.025 19.314 ( -8.891 0.000 5.402) 10.403 19.476 ( -12.554 0.000 -10.902) 16.627 19.598 ( -3.745 0.000 5.762) 6.872 19.707 ( -6.218 0.000 -5.321) 8.184 20.117 ( 6.634 0.000 9.458) 11.553 20.139 ( 8.861 0.000 8.491) 12.273 20.206 ( 4.497 0.000 0.897) 4.586 20.286 ( 5.214 0.000 6.274) 8.158 20.388 ( 5.475 0.000 -12.626) 13.762 20.412 ( 6.411 0.000 -6.306) 8.993 20.738 ( -6.728 0.000 3.904) 7.779 20.811 ( -4.794 0.000 -3.439) 5.900 20.899 ( -3.967 0.000 8.683) 9.547 20.973 ( -4.810 0.000 2.233) 5.303 21.102 ( 18.053 0.000 -2.029) 18.167 21.152 ( 11.449 0.000 -4.022) 12.135 21.844 ( -3.144 0.000 14.338) 14.678 22.173 ( -8.694 0.000 -18.032) 20.018 23.588 ( 4.742 0.000 0.013) 4.742 23.605 ( 4.003 0.000 -1.653) 4.331 102.817 ( 1.097 0.000 0.317) 1.142 102.824 ( 0.703 0.000 -0.503) 0.864 102.887 ( -0.842 0.000 0.936) 1.259 102.904 ( -1.056 0.000 -0.748) 1.294 103.134 ( 1.040 0.000 0.207) 1.060 103.138 ( 1.038 0.000 -0.189) 1.055 103.194 ( -0.331 0.000 1.276) 1.318 103.220 ( -1.183 0.000 -1.340) 1.788 ======================= Grid point 130 (45/60) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 1.613 0.000 0.989) 1.892 2.443 ( -0.320 0.000 -0.872) 0.929 2.573 ( 17.377 0.000 5.854) 18.337 2.684 ( 11.765 0.000 -4.443) 12.576 2.856 ( 12.177 0.000 2.442) 12.420 2.930 ( 4.932 0.000 -5.183) 7.154 2.940 ( -9.343 0.000 5.885) 11.042 3.053 ( -13.701 0.000 -4.006) 14.275 3.476 ( 7.305 0.000 2.570) 7.744 3.513 ( 6.125 0.000 -1.182) 6.238 3.709 ( -6.514 0.000 5.663) 8.632 3.760 ( -9.178 0.000 -0.307) 9.183 3.801 ( 6.236 0.000 3.515) 7.158 3.860 ( 0.784 0.000 -0.336) 0.852 3.998 ( 1.336 0.000 3.441) 3.692 4.033 ( 5.087 0.000 -2.889) 5.850 4.058 ( 2.695 0.000 -4.098) 4.905 4.121 ( -8.983 0.000 -8.213) 12.172 4.743 ( 3.561 0.000 3.875) 5.263 4.829 ( -2.196 0.000 -5.736) 6.142 5.122 ( 1.864 0.000 0.599) 1.958 5.137 ( 1.902 0.000 2.380) 3.046 5.164 ( -1.780 0.000 -3.388) 3.827 5.175 ( 0.159 0.000 -1.169) 1.180 5.836 ( 2.876 0.000 6.352) 6.973 5.885 ( 3.633 0.000 -0.215) 3.639 5.906 ( -3.544 0.000 3.592) 5.046 5.931 ( -1.229 0.000 -4.631) 4.791 5.969 ( 2.046 0.000 -0.796) 2.195 6.055 ( -5.947 0.000 -5.035) 7.793 6.439 ( 9.766 0.000 6.340) 11.644 6.544 ( 2.366 0.000 -3.156) 3.945 6.570 ( 11.908 0.000 8.013) 14.353 6.703 ( 1.191 0.000 -4.440) 4.597 6.715 ( 0.496 0.000 1.395) 1.481 6.764 ( -0.671 0.000 -4.009) 4.065 6.927 ( 6.816 0.000 -0.733) 6.855 6.950 ( 4.308 0.000 -1.928) 4.720 7.318 ( -4.488 0.000 1.138) 4.630 7.350 ( -5.819 0.000 -2.118) 6.193 7.620 ( -6.162 0.000 4.323) 7.527 7.676 ( -11.169 0.000 0.217) 11.171 7.741 ( -3.919 0.000 -1.868) 4.341 7.780 ( -9.850 0.000 -4.097) 10.668 7.931 ( 5.255 0.000 4.287) 6.782 8.005 ( 0.622 0.000 -3.307) 3.365 8.250 ( 1.576 0.000 3.872) 4.180 8.297 ( -2.629 0.000 -0.232) 2.640 8.576 ( 5.585 0.000 5.883) 8.112 8.601 ( 0.399 0.000 5.563) 5.577 8.729 ( -3.108 0.000 1.351) 3.388 8.762 ( -6.899 0.000 -0.051) 6.899 8.795 ( -0.784 0.000 1.051) 1.311 8.825 ( -3.667 0.000 -1.933) 4.145 8.916 ( -0.592 0.000 -0.697) 0.915 8.947 ( -2.299 0.000 -1.365) 2.674 9.159 ( -0.145 0.000 0.081) 0.167 9.181 ( -2.215 0.000 -2.140) 3.080 9.380 ( -2.216 0.000 -4.522) 5.036 9.457 ( -8.024 0.000 -10.983) 13.602 10.106 ( 8.168 0.000 4.559) 9.354 10.203 ( 1.621 0.000 -5.045) 5.299 10.403 ( 6.477 0.000 4.588) 7.937 10.412 ( -5.136 0.000 0.090) 5.137 10.434 ( -4.569 0.000 -1.928) 4.960 10.480 ( 0.686 0.000 -2.955) 3.033 10.593 ( -0.761 0.000 0.329) 0.829 10.607 ( -0.884 0.000 -0.903) 1.264 10.821 ( 2.244 0.000 1.026) 2.468 10.832 ( 2.098 0.000 -0.374) 2.131 10.987 ( -2.693 0.000 3.467) 4.390 11.027 ( -5.469 0.000 -0.580) 5.499 11.353 ( 3.619 0.000 2.993) 4.696 11.391 ( 0.421 0.000 -0.906) 0.999 11.543 ( 8.561 0.000 6.999) 11.058 11.639 ( 0.383 0.000 -2.515) 2.544 11.787 ( 1.628 0.000 5.683) 5.912 11.832 ( -2.254 0.000 1.499) 2.707 12.092 ( 4.292 0.000 5.562) 7.026 12.185 ( 1.544 0.000 0.668) 1.683 12.193 ( -4.610 0.000 0.406) 4.628 12.203 ( -0.381 0.000 -1.587) 1.632 12.277 ( 5.010 0.000 -1.162) 5.143 12.298 ( 0.730 0.000 -2.073) 2.198 12.330 ( -2.172 0.000 -5.284) 5.713 12.387 ( -4.120 0.000 -7.499) 8.556 12.800 ( -1.196 0.000 3.972) 4.148 12.860 ( -6.377 0.000 -1.946) 6.667 13.632 ( 12.297 0.000 3.362) 12.748 13.725 ( 5.601 0.000 -5.626) 7.939 14.182 ( -4.664 0.000 2.251) 5.178 14.210 ( -5.392 0.000 0.738) 5.442 14.629 ( 4.818 0.000 4.798) 6.799 14.728 ( 3.940 0.000 -3.626) 5.354 14.819 ( -4.622 0.000 6.165) 7.705 14.945 ( -8.488 0.000 -5.162) 9.934 15.070 ( 10.189 0.000 4.826) 11.274 15.143 ( 3.492 0.000 -2.496) 4.292 16.097 ( 6.733 0.000 3.449) 7.564 16.180 ( -0.701 0.000 -4.877) 4.927 16.317 ( 4.253 0.000 2.699) 5.037 16.363 ( 0.445 0.000 -1.915) 1.967 16.956 ( -3.978 0.000 -0.585) 4.021 16.979 ( -5.572 0.000 -2.836) 6.252 17.738 ( 3.971 0.000 0.612) 4.018 17.779 ( -0.098 0.000 -3.658) 3.659 18.173 ( 0.340 0.000 0.671) 0.753 18.185 ( -0.479 0.000 -0.380) 0.611 18.270 ( -0.471 0.000 0.055) 0.475 18.277 ( -1.074 0.000 -0.638) 1.249 18.298 ( 0.698 0.000 4.187) 4.245 18.352 ( -3.742 0.000 -1.137) 3.911 18.534 ( -1.318 0.000 1.622) 2.090 18.559 ( -3.100 0.000 -0.857) 3.216 18.755 ( -1.609 0.000 0.781) 1.788 18.769 ( -2.722 0.000 -0.592) 2.785 19.186 ( -2.121 0.000 -1.736) 2.741 19.250 ( -7.932 0.000 -7.965) 11.241 19.547 ( -0.503 0.000 1.604) 1.681 19.589 ( -4.385 0.000 -2.684) 5.141 20.201 ( 2.255 0.000 11.473) 11.692 20.221 ( 0.519 0.000 8.589) 8.604 20.374 ( 8.973 0.000 0.668) 8.997 20.421 ( 7.409 0.000 6.708) 9.994 20.479 ( 0.822 0.000 -9.210) 9.247 20.545 ( 3.735 0.000 -4.972) 6.219 20.595 ( -4.480 0.000 4.459) 6.321 20.697 ( -6.141 0.000 -5.007) 7.924 20.794 ( -2.246 0.000 7.165) 7.509 20.854 ( -5.883 0.000 0.766) 5.933 21.401 ( 11.463 0.000 -0.196) 11.465 21.460 ( 11.207 0.000 -6.236) 12.825 21.751 ( -2.298 0.000 7.661) 7.998 21.928 ( -13.718 0.000 -9.905) 16.920 23.663 ( 2.162 0.000 -0.565) 2.234 23.669 ( 1.628 0.000 -1.072) 1.950 102.837 ( 0.744 0.000 0.121) 0.754 102.840 ( 0.625 0.000 -0.136) 0.640 102.872 ( -0.395 0.000 0.454) 0.602 102.881 ( -1.015 0.000 -0.437) 1.105 103.157 ( 0.969 0.000 0.058) 0.970 103.158 ( 0.773 0.000 -0.078) 0.777 103.185 ( -0.375 0.000 0.447) 0.584 103.194 ( -1.148 0.000 -0.455) 1.235 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 17.584 21.229) 27.566 1.415 ( 0.000 9.603 25.028) 26.807 1.715 ( 0.000 14.123 -17.087) 22.168 1.963 ( 0.000 3.224 -23.052) 23.276 2.321 ( 0.000 16.034 35.626) 39.068 2.735 ( 0.000 -0.438 4.791) 4.811 2.788 ( 0.000 -7.037 -6.424) 9.528 2.909 ( 0.000 2.718 -14.521) 14.773 2.994 ( 0.000 1.576 3.070) 3.451 3.024 ( 0.000 1.992 -1.677) 2.604 3.272 ( 0.000 6.356 1.025) 6.438 3.405 ( 0.000 6.818 -10.938) 12.889 3.547 ( 0.000 -3.338 7.535) 8.241 3.654 ( 0.000 -1.832 -6.167) 6.433 4.066 ( 0.000 5.621 14.397) 15.455 4.089 ( 0.000 -1.992 0.590) 2.078 4.144 ( 0.000 6.199 1.276) 6.329 4.410 ( 0.000 5.768 -14.044) 15.182 4.715 ( 0.000 25.650 5.055) 26.143 4.828 ( 0.000 -1.433 3.268) 3.568 4.927 ( 0.000 -4.138 -5.153) 6.609 4.929 ( 0.000 39.447 -17.512) 43.159 5.209 ( 0.000 -0.071 7.704) 7.704 5.250 ( 0.000 1.046 6.604) 6.686 5.579 ( 0.000 -3.377 2.773) 4.370 5.614 ( 0.000 -2.602 -1.890) 3.216 5.675 ( 0.000 -4.363 -1.807) 4.723 5.774 ( 0.000 -3.747 1.368) 3.989 5.820 ( 0.000 -1.044 -2.358) 2.579 5.830 ( 0.000 -0.139 -14.346) 14.347 6.315 ( 0.000 -0.188 4.840) 4.844 6.366 ( 0.000 -10.453 4.719) 11.469 6.531 ( 0.000 2.088 -6.601) 6.923 6.562 ( 0.000 -10.130 -4.649) 11.145 7.060 ( 0.000 -0.297 1.198) 1.235 7.071 ( 0.000 9.119 -0.842) 9.157 7.201 ( 0.000 17.274 1.065) 17.307 7.226 ( 0.000 14.927 -1.384) 14.991 7.345 ( 0.000 -6.133 2.582) 6.654 7.442 ( 0.000 -13.717 -6.976) 15.389 7.834 ( 0.000 -0.575 5.806) 5.835 7.910 ( 0.000 0.902 -2.380) 2.545 7.936 ( 0.000 2.932 0.765) 3.030 7.994 ( 0.000 2.009 -4.277) 4.725 8.211 ( 0.000 4.544 2.453) 5.164 8.271 ( 0.000 6.243 -4.002) 7.416 8.558 ( 0.000 -4.283 1.997) 4.726 8.562 ( 0.000 -4.097 1.704) 4.437 8.851 ( 0.000 -5.143 1.744) 5.431 8.899 ( 0.000 -7.769 -3.257) 8.424 9.136 ( 0.000 -9.501 1.415) 9.606 9.151 ( 0.000 -9.724 0.627) 9.744 9.185 ( 0.000 1.383 10.245) 10.338 9.363 ( 0.000 2.012 -6.941) 7.227 9.537 ( 0.000 5.745 0.678) 5.785 9.559 ( 0.000 8.201 -2.032) 8.449 9.642 ( 0.000 0.662 2.057) 2.161 9.717 ( 0.000 1.837 -5.775) 6.060 9.804 ( 0.000 2.056 0.515) 2.119 9.830 ( 0.000 3.848 -1.318) 4.068 9.938 ( 0.000 -2.308 0.519) 2.365 9.982 ( 0.000 1.706 -4.323) 4.647 10.014 ( 0.000 -2.222 2.095) 3.054 10.065 ( 0.000 -4.744 -2.485) 5.355 10.264 ( 0.000 -3.112 2.942) 4.282 10.280 ( 0.000 -1.541 0.859) 1.764 10.484 ( 0.000 0.678 7.069) 7.102 10.563 ( 0.000 5.324 2.361) 5.824 10.679 ( 0.000 -1.660 -3.748) 4.099 10.690 ( 0.000 9.832 -2.106) 10.055 10.899 ( 0.000 0.432 1.576) 1.634 10.912 ( 0.000 3.536 0.418) 3.561 11.245 ( 0.000 -10.010 4.284) 10.888 11.330 ( 0.000 -12.263 -4.371) 13.018 11.349 ( 0.000 -8.270 7.630) 11.252 11.432 ( 0.000 6.510 5.077) 8.256 11.469 ( 0.000 -9.080 -4.658) 10.205 11.523 ( 0.000 8.386 -4.149) 9.356 11.762 ( 0.000 7.593 3.931) 8.551 11.781 ( 0.000 0.158 1.887) 1.894 11.860 ( 0.000 0.842 -0.898) 1.231 11.894 ( 0.000 5.125 -3.645) 6.289 12.049 ( 0.000 13.762 1.663) 13.862 12.092 ( 0.000 11.846 -2.343) 12.075 12.695 ( 0.000 -6.870 0.285) 6.876 12.720 ( 0.000 -6.808 -1.908) 7.071 13.088 ( 0.000 3.755 11.666) 12.255 13.311 ( 0.000 4.837 -11.289) 12.281 13.341 ( 0.000 -8.526 4.575) 9.676 13.429 ( 0.000 -2.877 -5.296) 6.027 13.713 ( 0.000 7.637 -0.622) 7.663 13.820 ( 0.000 2.628 -10.760) 11.076 14.179 ( 0.000 7.663 1.817) 7.876 14.225 ( 0.000 5.557 -2.678) 6.169 14.820 ( 0.000 -4.667 4.175) 6.262 14.874 ( 0.000 -5.648 -1.341) 5.805 15.542 ( 0.000 -15.499 10.665) 18.814 15.683 ( 0.000 -13.296 -4.896) 14.169 16.172 ( 0.000 2.146 3.952) 4.497 16.269 ( 0.000 4.113 -6.047) 7.313 16.389 ( 0.000 -26.331 7.312) 27.327 16.419 ( 0.000 -24.749 3.356) 24.975 16.796 ( 0.000 -7.034 3.681) 7.939 16.835 ( 0.000 -14.418 1.300) 14.476 17.767 ( 0.000 3.441 5.871) 6.805 17.890 ( 0.000 1.876 -6.518) 6.783 18.105 ( 0.000 -7.677 -0.425) 7.689 18.109 ( 0.000 -9.558 -0.947) 9.605 18.378 ( 0.000 5.578 0.970) 5.662 18.413 ( 0.000 5.658 -0.595) 5.689 18.505 ( 0.000 8.632 2.935) 9.117 18.588 ( 0.000 7.405 -3.463) 8.174 19.105 ( 0.000 -2.290 2.389) 3.309 19.110 ( 0.000 -4.070 1.561) 4.359 19.119 ( 0.000 -5.972 1.006) 6.056 19.125 ( 0.000 -2.134 -0.094) 2.136 19.420 ( 0.000 -0.340 2.220) 2.246 19.491 ( 0.000 -5.783 -3.456) 6.736 19.590 ( 0.000 -2.858 4.952) 5.717 19.692 ( 0.000 -5.672 -3.048) 6.439 19.916 ( 0.000 9.739 -0.678) 9.763 19.978 ( 0.000 8.231 -4.793) 9.525 20.014 ( 0.000 4.458 9.791) 10.758 20.225 ( 0.000 1.680 -10.736) 10.866 20.347 ( 0.000 3.882 4.121) 5.662 20.430 ( 0.000 5.032 -4.316) 6.630 20.590 ( 0.000 15.084 -0.293) 15.087 20.644 ( 0.000 14.312 -5.858) 15.465 20.929 ( 0.000 -2.506 1.704) 3.030 20.967 ( 0.000 -0.299 -2.193) 2.213 21.147 ( 0.000 -0.400 7.089) 7.100 21.262 ( 0.000 0.471 -4.069) 4.096 21.639 ( 0.000 9.586 13.325) 16.415 21.903 ( 0.000 14.882 -14.161) 20.543 23.311 ( 0.000 -8.916 4.173) 9.844 23.394 ( 0.000 -7.513 -4.316) 8.664 102.789 ( 0.000 1.162 1.212) 1.679 102.817 ( 0.000 1.160 -1.726) 2.080 102.948 ( 0.000 2.527 0.087) 2.528 102.955 ( 0.000 1.437 -0.479) 1.514 103.099 ( 0.000 -0.222 0.512) 0.558 103.109 ( 0.000 -0.355 -0.495) 0.610 103.199 ( 0.000 -1.645 0.659) 1.772 103.210 ( 0.000 -1.187 -0.434) 1.264 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 17.014 15.105 19.237) 29.794 1.516 ( 9.419 10.892 27.252) 30.822 1.847 ( 12.667 12.320 -18.138) 25.322 2.049 ( 6.747 5.451 -25.991) 27.400 2.486 ( 10.357 1.270 19.958) 22.521 2.708 ( -0.458 -3.914 -1.997) 4.418 2.788 ( 3.819 2.962 6.595) 8.176 3.011 ( 7.306 2.368 -5.868) 9.665 3.109 ( 6.953 0.457 0.649) 6.998 3.133 ( 8.980 0.773 -0.791) 9.048 3.302 ( 4.039 8.230 5.266) 10.572 3.498 ( 6.526 10.101 -11.428) 16.590 3.602 ( 6.362 -8.123 6.298) 12.088 3.735 ( 6.921 -5.768 -7.392) 11.654 4.024 ( -0.254 2.630 12.201) 12.484 4.112 ( 1.468 -1.005 -1.103) 2.093 4.193 ( 4.065 6.656 5.134) 9.337 4.434 ( 1.836 6.793 -13.698) 15.400 4.612 ( -8.079 20.977 4.193) 22.867 4.766 ( -11.678 31.667 -10.791) 35.434 4.923 ( 3.869 2.436 2.321) 5.128 4.985 ( 3.659 -4.112 -1.057) 5.605 5.120 ( 0.420 5.718 3.614) 6.778 5.260 ( -2.634 -0.831 -6.606) 7.160 5.605 ( 1.605 -3.200 1.692) 3.960 5.620 ( 1.161 -1.999 2.603) 3.481 5.674 ( 0.795 -3.843 0.738) 3.993 5.778 ( -0.086 -4.726 -4.322) 6.405 5.879 ( 6.800 -1.873 0.372) 7.063 5.941 ( 6.745 1.087 -6.086) 9.150 6.270 ( -2.768 0.664 7.479) 8.002 6.378 ( 0.916 -8.734 2.048) 9.018 6.532 ( -0.239 0.976 -6.116) 6.198 6.584 ( 1.878 -9.444 -5.550) 11.114 6.959 ( -12.432 10.850 3.307) 16.829 7.035 ( -6.325 4.751 -2.721) 8.366 7.090 ( -6.822 3.857 0.587) 7.859 7.115 ( -3.631 5.225 -0.668) 6.397 7.383 ( 1.260 -1.845 3.885) 4.481 7.486 ( 1.405 -5.032 -6.950) 8.695 7.735 ( -4.298 1.115 2.164) 4.940 7.808 ( -5.232 -0.043 -4.884) 7.157 8.013 ( 3.902 4.902 2.219) 6.646 8.056 ( 2.623 3.642 -1.613) 4.770 8.256 ( 1.098 3.014 0.360) 3.228 8.270 ( 0.946 2.758 0.317) 2.933 8.458 ( -7.407 -8.480 3.648) 11.836 8.538 ( -4.777 -6.329 -4.109) 8.931 8.744 ( -9.220 -3.780 2.623) 10.304 8.796 ( -8.430 -3.558 -2.515) 9.489 9.085 ( -4.826 -9.172 2.347) 10.626 9.103 ( -3.188 -7.891 0.299) 8.516 9.150 ( -3.492 3.554 8.072) 9.486 9.296 ( -7.266 0.942 -5.479) 9.149 9.445 ( -10.677 -0.326 2.429) 10.954 9.474 ( -10.446 1.916 0.357) 10.626 9.529 ( -2.885 5.246 4.497) 7.487 9.635 ( -6.769 6.125 -5.121) 10.467 9.654 ( -8.979 3.974 -0.798) 9.852 9.696 ( -7.319 6.891 -6.121) 11.770 10.006 ( 3.774 -3.954 1.861) 5.774 10.048 ( 2.878 -2.768 0.109) 3.994 10.079 ( 2.534 -5.280 -0.733) 5.902 10.135 ( 7.663 -1.573 -4.568) 9.059 10.295 ( 0.576 -1.385 3.975) 4.248 10.352 ( 4.569 -1.579 -0.943) 4.925 10.473 ( 4.563 3.125 2.844) 6.219 10.528 ( -0.181 5.194 -2.101) 5.606 10.789 ( 4.980 6.565 4.004) 9.162 10.865 ( 11.646 -3.005 -1.730) 12.151 10.878 ( -0.889 1.495 3.260) 3.695 10.961 ( 3.577 -0.749 -2.029) 4.180 11.213 ( -1.985 -6.588 3.811) 7.865 11.258 ( -0.945 -10.795 -0.327) 10.841 11.391 ( -0.360 6.897 5.126) 8.600 11.479 ( -1.367 2.344 -3.979) 4.817 11.556 ( 6.799 1.672 -0.018) 7.002 11.570 ( 8.160 -7.658 -0.821) 11.221 11.847 ( 7.929 2.770 5.626) 10.109 11.872 ( 5.622 3.552 3.752) 7.636 11.927 ( 5.933 0.488 -2.158) 6.332 11.954 ( 5.609 3.526 -3.786) 7.631 12.117 ( 6.965 10.775 2.081) 12.998 12.176 ( 7.362 8.840 -3.169) 11.933 12.591 ( -7.709 -5.232 0.131) 9.318 12.625 ( -7.366 -4.395 -3.181) 9.148 13.085 ( 0.023 3.944 11.261) 11.931 13.263 ( -4.135 5.951 -6.375) 9.651 13.358 ( -2.861 -5.327 -2.747) 6.641 13.385 ( -3.245 -1.645 -6.330) 7.301 13.844 ( 13.934 3.656 4.545) 15.106 13.987 ( 13.101 -1.908 -8.357) 15.656 14.226 ( 5.829 8.486 -1.076) 10.351 14.258 ( 3.500 5.364 -3.051) 7.095 14.785 ( -3.412 -4.695 4.782) 7.520 14.848 ( -2.910 -5.664 -1.492) 6.541 15.496 ( -7.621 -18.921 14.639) 25.108 15.673 ( -3.594 -15.005 -3.930) 15.922 15.897 ( -17.293 -4.634 8.066) 19.636 16.001 ( -16.242 -4.913 -2.588) 17.165 16.275 ( -3.478 -1.751 5.308) 6.583 16.375 ( -1.465 -1.918 -5.390) 5.906 16.888 ( 7.042 -12.538 9.317) 17.135 17.063 ( 8.011 -18.853 -7.272) 21.737 17.728 ( -3.485 2.953 5.356) 7.039 17.834 ( -4.884 0.037 -5.532) 7.380 18.090 ( -1.090 -8.900 0.031) 8.966 18.096 ( -1.052 -7.781 -0.610) 7.876 18.361 ( -0.865 5.645 3.147) 6.521 18.417 ( 0.204 6.395 -2.414) 6.838 18.501 ( -0.305 8.702 3.012) 9.213 18.590 ( -0.077 7.839 -5.470) 9.559 18.978 ( -7.716 -3.320 2.281) 8.704 19.013 ( -7.074 -3.532 -0.872) 7.955 19.122 ( -2.208 1.121 2.099) 3.246 19.155 ( -1.434 0.737 -0.941) 1.867 19.487 ( 2.788 -5.999 3.852) 7.655 19.515 ( 1.745 -5.228 2.048) 5.880 19.643 ( 3.372 -5.501 3.213) 7.208 19.726 ( 4.863 -4.432 -4.064) 7.733 19.933 ( 2.672 7.434 -2.319) 8.233 19.962 ( -1.045 7.178 -3.854) 8.214 20.034 ( 0.623 3.735 7.235) 8.166 20.192 ( -2.671 1.384 -7.138) 7.746 20.384 ( 2.061 4.905 2.300) 5.796 20.450 ( 1.420 7.289 -3.915) 8.394 20.605 ( 3.314 11.068 -0.789) 11.581 20.635 ( 2.269 11.562 -3.625) 12.328 20.914 ( -1.379 -2.167 1.402) 2.927 20.949 ( -1.465 1.172 -2.178) 2.875 21.126 ( -1.761 0.029 7.572) 7.774 21.232 ( -2.805 0.868 -2.337) 3.753 21.739 ( 7.774 7.292 16.157) 19.356 22.097 ( 12.915 8.274 -20.867) 25.897 23.332 ( 2.190 -8.597 3.414) 9.506 23.406 ( 1.193 -7.673 -4.288) 8.870 102.794 ( 0.471 1.156 1.084) 1.654 102.819 ( 0.192 1.167 -1.522) 1.928 102.940 ( -0.717 2.247 0.440) 2.399 102.950 ( -0.470 1.405 -0.567) 1.587 103.102 ( 0.295 -0.278 0.352) 0.537 103.108 ( 0.010 -0.368 -0.266) 0.454 103.188 ( -0.314 -1.274 1.963) 2.361 103.224 ( 0.477 -1.644 -1.910) 2.565 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 16.355 8.380 20.728) 27.702 1.915 ( 23.477 9.291 14.109) 28.923 2.179 ( 17.228 8.523 -13.477) 23.476 2.218 ( 9.511 8.668 -22.191) 25.652 2.569 ( 0.550 -2.344 5.420) 5.931 2.698 ( 0.744 -8.121 -7.697) 11.213 3.035 ( 12.381 3.091 12.320) 17.738 3.163 ( 5.392 -1.460 1.661) 5.828 3.193 ( 2.871 -2.981 2.729) 4.958 3.265 ( 2.499 0.460 -1.229) 2.823 3.459 ( 10.175 8.550 4.415) 14.005 3.615 ( 4.823 6.471 -10.076) 12.910 3.775 ( 5.893 -7.216 3.818) 10.068 3.830 ( 3.185 -3.481 -1.674) 5.007 4.096 ( 3.967 11.193 14.050) 18.396 4.217 ( 5.512 -1.461 -0.527) 5.727 4.293 ( 1.913 2.931 3.035) 4.633 4.439 ( 0.023 10.765 -1.932) 10.937 4.470 ( -1.882 13.864 -6.996) 15.643 4.567 ( -1.449 16.583 -9.930) 19.383 4.940 ( 1.819 2.152 2.793) 3.967 5.038 ( 0.370 -3.277 -4.079) 5.245 5.242 ( 6.171 7.765 -2.040) 10.127 5.275 ( 5.032 6.248 -3.836) 8.892 5.598 ( -0.511 -7.793 4.475) 9.000 5.654 ( 1.728 -6.887 -0.616) 7.127 5.746 ( 4.452 -0.750 1.959) 4.921 5.795 ( 3.626 -4.904 -3.358) 6.962 6.024 ( 6.217 0.536 2.294) 6.648 6.074 ( 5.745 2.749 -2.138) 6.718 6.258 ( 2.565 1.396 6.207) 6.860 6.383 ( -0.666 -2.936 -4.602) 5.499 6.550 ( 2.613 -3.907 0.512) 4.728 6.601 ( -4.276 -1.500 -2.074) 4.984 6.666 ( -10.573 3.081 3.186) 11.464 6.786 ( -13.347 3.801 -6.785) 15.447 6.996 ( -5.342 4.409 1.581) 7.105 7.024 ( -4.343 0.717 -1.108) 4.539 7.388 ( -0.102 -5.251 5.302) 7.463 7.476 ( -2.364 -3.523 -3.826) 5.713 7.708 ( 0.492 -2.766 -0.761) 2.911 7.768 ( 1.182 1.803 -6.726) 7.063 8.048 ( -0.107 5.355 1.019) 5.452 8.079 ( -1.811 4.617 -1.949) 5.328 8.181 ( -5.370 2.806 7.895) 9.952 8.243 ( -10.899 -6.746 0.421) 12.825 8.313 ( -5.306 -9.675 -0.706) 11.057 8.394 ( -5.795 -2.649 -6.500) 9.102 8.561 ( -5.019 -1.149 2.325) 5.649 8.598 ( -9.038 -0.473 -2.063) 9.283 8.953 ( -9.055 -4.318 8.184) 12.946 9.026 ( -5.181 -3.835 2.223) 6.818 9.056 ( -4.710 -0.791 -0.989) 4.878 9.091 ( -9.456 1.121 -2.634) 9.879 9.213 ( -9.847 -0.850 3.522) 10.492 9.257 ( -10.222 6.156 -1.143) 11.988 9.354 ( -10.921 0.970 2.327) 11.208 9.408 ( -10.890 0.347 -4.112) 11.646 9.613 ( -3.140 3.048 -4.390) 6.198 9.631 ( 1.437 4.004 -3.495) 5.506 9.989 ( -3.607 -3.761 4.041) 6.595 10.109 ( 0.786 -2.542 -6.939) 7.432 10.138 ( 5.497 0.740 6.753) 8.739 10.282 ( 5.238 0.201 -7.506) 9.155 10.362 ( 5.134 -3.818 3.285) 7.192 10.421 ( 4.206 -1.509 -2.590) 5.165 10.586 ( 3.842 4.696 2.703) 6.642 10.616 ( 7.069 3.819 -0.491) 8.049 10.833 ( -0.475 1.797 6.283) 6.553 10.865 ( -1.310 -0.096 2.621) 2.932 11.030 ( 4.183 -4.671 -0.204) 6.274 11.060 ( 6.390 -6.176 -3.124) 9.420 11.187 ( -1.268 -0.546 5.215) 5.395 11.269 ( 1.008 -1.793 -1.448) 2.515 11.416 ( 2.550 4.518 1.130) 5.310 11.451 ( 0.580 7.085 -2.985) 7.710 11.669 ( 4.054 0.581 3.833) 5.609 11.724 ( 4.982 -6.578 -1.345) 8.361 11.964 ( 4.446 3.865 5.622) 8.143 12.011 ( 6.913 0.110 1.995) 7.196 12.085 ( 7.792 2.311 -1.851) 8.335 12.095 ( 6.255 5.759 -3.155) 9.068 12.306 ( 7.752 2.093 1.592) 8.186 12.316 ( 3.955 1.219 -0.559) 4.176 12.442 ( -5.238 -1.126 0.837) 5.422 12.494 ( -3.717 -0.008 -4.343) 5.717 13.063 ( -4.163 2.048 12.104) 12.963 13.187 ( -4.818 1.550 1.773) 5.363 13.258 ( 0.033 5.652 -8.201) 9.960 13.351 ( 2.004 2.832 -12.169) 12.654 14.177 ( 5.982 -1.181 4.157) 7.380 14.212 ( 15.873 -3.277 2.199) 16.356 14.380 ( 10.214 4.908 0.660) 11.351 14.513 ( 19.196 2.290 -11.700) 22.597 14.673 ( -7.310 -4.872 5.608) 10.423 14.740 ( -7.028 -4.394 -0.276) 8.293 15.207 ( -13.580 -9.747 13.016) 21.186 15.409 ( -18.899 -10.333 -7.484) 22.802 15.752 ( 2.059 -5.057 10.964) 12.249 15.918 ( 4.294 -6.938 -6.616) 10.505 16.246 ( -0.234 2.500 5.425) 5.978 16.351 ( -0.695 1.085 -5.147) 5.306 16.985 ( 2.018 -13.187 6.238) 14.727 17.121 ( -1.412 -15.097 -6.781) 16.610 17.643 ( -3.915 1.537 3.581) 5.524 17.718 ( -5.386 -2.940 -4.424) 7.565 18.068 ( -0.940 -9.210 0.721) 9.286 18.074 ( -1.012 -7.302 0.127) 7.373 18.352 ( -0.013 6.239 4.625) 7.766 18.424 ( 0.612 7.240 -2.523) 7.692 18.492 ( -0.574 8.456 2.521) 8.842 18.583 ( -0.557 9.364 -6.783) 11.576 18.804 ( -8.732 -2.063 1.977) 9.188 18.845 ( -8.412 -0.839 -1.949) 8.676 19.038 ( -5.408 5.044 1.066) 7.472 19.063 ( -6.571 5.715 -1.248) 8.798 19.414 ( -6.632 -5.665 6.776) 11.046 19.518 ( -4.615 -8.278 -2.479) 9.796 19.720 ( 2.231 -6.017 5.158) 8.233 19.819 ( -2.408 -3.743 -5.123) 6.787 19.945 ( 1.957 5.764 1.262) 6.217 19.980 ( 4.960 5.886 -1.414) 7.826 20.107 ( 4.468 0.571 2.075) 4.959 20.172 ( 3.746 -0.679 -4.406) 5.823 20.406 ( 0.874 7.861 2.373) 8.258 20.472 ( 1.008 7.986 -4.387) 9.168 20.726 ( 5.569 -0.183 3.101) 6.377 20.797 ( 9.665 2.477 -2.877) 10.384 20.883 ( -0.315 0.857 2.399) 2.567 20.942 ( 3.346 8.194 -3.590) 9.551 21.075 ( -3.203 1.007 5.452) 6.403 21.154 ( -4.165 2.166 -0.733) 4.751 21.871 ( 3.600 4.410 17.796) 18.684 22.268 ( 2.221 3.058 -21.993) 22.315 23.404 ( 4.557 -8.369 1.600) 9.662 23.448 ( 2.919 -7.939 -3.120) 9.016 102.808 ( 0.871 1.146 0.756) 1.626 102.825 ( 0.454 1.170 -1.070) 1.649 102.922 ( -0.967 1.747 0.813) 2.156 102.936 ( -0.859 1.287 -0.681) 1.691 103.112 ( 0.623 -0.433 0.161) 0.776 103.114 ( 0.641 -0.471 -0.066) 0.798 103.186 ( -0.072 -1.242 1.891) 2.264 103.223 ( -0.559 -1.633 -1.969) 2.618 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 16.694 1.468 11.082) 20.091 2.343 ( 11.659 2.221 -1.169) 11.926 2.442 ( 15.441 6.601 -5.012) 17.525 2.503 ( 11.586 7.699 -4.404) 14.591 2.606 ( 5.454 2.257 7.078) 9.217 2.781 ( 7.685 -0.413 -10.380) 12.922 3.063 ( -7.300 -4.695 8.015) 11.815 3.182 ( -7.072 -6.419 -0.855) 9.589 3.271 ( 7.399 -2.836 5.170) 9.462 3.360 ( 7.952 0.318 -3.015) 8.511 3.673 ( 7.150 1.039 -2.946) 7.803 3.697 ( 3.882 -3.176 -4.513) 6.747 3.844 ( 2.207 -2.605 3.719) 5.049 3.893 ( 1.913 -1.126 -1.430) 2.641 4.033 ( -8.963 11.926 7.464) 16.681 4.128 ( -10.571 11.184 -2.927) 15.665 4.272 ( 2.821 16.599 7.958) 18.623 4.446 ( -0.412 14.729 -8.139) 16.833 4.635 ( 9.432 0.949 2.435) 9.787 4.727 ( 8.974 -1.442 -6.677) 11.278 5.017 ( 4.496 0.711 1.780) 4.887 5.102 ( 6.217 3.555 -5.119) 8.803 5.266 ( -1.981 5.373 4.037) 7.007 5.356 ( 0.956 9.188 -4.701) 10.365 5.655 ( 6.590 -6.218 4.396) 10.070 5.737 ( 6.545 -9.206 -2.955) 11.676 5.820 ( 3.210 -0.419 4.250) 5.342 5.920 ( 4.299 -1.865 -6.146) 7.729 6.106 ( 0.730 6.856 5.289) 8.689 6.175 ( 3.575 2.400 -1.184) 4.466 6.328 ( -2.678 2.877 5.165) 6.490 6.402 ( -1.938 3.219 3.787) 5.335 6.426 ( 8.191 2.296 -1.440) 8.627 6.541 ( -6.960 -2.612 -8.236) 11.095 6.596 ( -1.579 -12.017 -0.503) 12.131 6.620 ( 0.803 -8.607 -1.854) 8.841 6.941 ( 2.469 5.641 0.701) 6.198 6.979 ( 0.136 3.507 -2.086) 4.083 7.364 ( -2.792 -8.401 3.741) 9.611 7.418 ( -1.958 -3.554 -1.291) 4.258 7.694 ( -2.616 -2.440 2.145) 4.171 7.780 ( -2.455 -0.040 -6.015) 6.496 7.912 ( -14.455 -6.774 2.483) 16.155 7.952 ( -12.679 -4.074 -0.584) 13.330 8.036 ( -4.237 1.461 -1.613) 4.763 8.057 ( -7.498 3.254 -1.500) 8.310 8.194 ( 1.327 -0.181 5.330) 5.496 8.322 ( -1.144 0.319 -6.281) 6.392 8.517 ( 1.445 1.205 4.857) 5.209 8.570 ( 1.608 -1.737 1.441) 2.771 8.741 ( -8.338 -4.951 4.474) 10.679 8.831 ( -10.185 -2.354 -1.827) 10.612 8.944 ( -5.531 -2.205 0.631) 5.988 9.001 ( -4.307 -0.987 -2.514) 5.084 9.040 ( -6.165 6.535 2.721) 9.388 9.061 ( -6.944 3.605 0.862) 7.871 9.172 ( -7.201 -0.129 2.268) 7.551 9.232 ( -6.213 -1.491 -4.815) 8.000 9.507 ( -6.266 0.244 -2.197) 6.644 9.598 ( -5.444 -1.147 -9.465) 10.979 9.977 ( 3.790 0.223 7.713) 8.597 10.136 ( 2.583 -0.248 -7.917) 8.331 10.266 ( 6.234 1.347 4.279) 7.680 10.362 ( 2.395 -1.342 -4.544) 5.309 10.460 ( 3.500 -3.703 2.829) 5.828 10.507 ( 3.393 -0.932 -1.662) 3.892 10.600 ( -3.036 2.031 4.966) 6.165 10.693 ( -3.236 5.981 -4.457) 8.131 10.831 ( 3.123 -0.179 3.041) 4.363 10.858 ( 3.089 1.117 0.768) 3.374 11.090 ( -1.954 1.584 3.350) 4.190 11.136 ( 0.360 -1.486 -1.217) 1.954 11.201 ( 4.414 -4.370 3.701) 7.230 11.266 ( 0.344 -0.728 -1.342) 1.565 11.443 ( 1.804 -0.041 4.259) 4.625 11.537 ( 4.380 -0.419 -5.381) 6.951 11.725 ( 1.602 -0.417 4.330) 4.635 11.785 ( 1.486 -2.534 -1.233) 3.186 12.058 ( 4.084 2.379 5.141) 6.984 12.125 ( 3.563 -0.416 -0.616) 3.639 12.162 ( 1.263 2.815 1.039) 3.256 12.233 ( 5.210 4.222 -4.036) 7.827 12.309 ( -1.294 1.064 -0.289) 1.700 12.339 ( -1.361 0.685 -3.124) 3.475 12.382 ( -2.605 3.709 5.560) 7.173 12.502 ( 1.305 3.506 -6.029) 7.095 12.939 ( -6.097 3.127 8.264) 10.735 13.051 ( -7.082 2.170 -2.711) 7.887 13.390 ( 11.352 4.826 2.389) 12.564 13.531 ( 12.542 3.986 -11.480) 17.464 14.254 ( 1.439 0.986 6.843) 7.061 14.336 ( -4.260 -0.837 -0.771) 4.409 14.574 ( 3.048 -4.035 -0.788) 5.118 14.594 ( -3.971 -3.903 -0.978) 5.653 14.728 ( 15.893 -1.552 6.576) 17.270 14.862 ( 8.168 -6.341 -5.349) 11.642 15.003 ( -2.968 -1.581 3.986) 5.215 15.110 ( -8.977 -2.069 -4.558) 10.279 15.857 ( 6.974 -7.661 9.994) 14.395 16.026 ( 4.922 -9.083 -7.576) 12.811 16.263 ( 1.976 1.915 4.550) 5.318 16.352 ( 0.743 1.063 -4.383) 4.571 16.962 ( -4.085 -11.848 2.865) 12.856 17.034 ( -6.305 -10.793 -4.200) 13.187 17.601 ( 0.200 -1.650 1.041) 1.961 17.644 ( -1.440 -5.265 -3.586) 6.531 18.048 ( -1.199 -8.992 1.452) 9.187 18.054 ( -0.924 -8.093 0.648) 8.171 18.355 ( 0.161 7.298 6.175) 9.561 18.442 ( 0.961 9.169 -1.645) 9.365 18.478 ( -0.657 6.685 0.981) 6.788 18.557 ( -3.040 7.061 -7.927) 11.043 18.640 ( -5.431 2.578 3.273) 6.845 18.695 ( -5.497 3.247 -2.326) 6.795 18.917 ( -5.951 8.001 0.137) 9.973 18.922 ( -6.033 5.853 -0.369) 8.414 19.252 ( -8.035 -4.409 4.327) 10.135 19.368 ( -8.964 -7.011 -6.553) 13.132 19.645 ( -6.456 -0.122 1.102) 6.550 19.695 ( -6.452 -2.482 -3.085) 7.570 20.069 ( 7.117 -1.516 5.694) 9.240 20.141 ( 7.988 1.128 4.076) 9.038 20.161 ( 2.713 -0.081 5.099) 5.777 20.325 ( 7.579 -1.867 -7.755) 11.003 20.442 ( 2.856 7.455 2.145) 8.266 20.506 ( 2.477 4.089 -4.140) 6.324 20.728 ( -3.261 -0.151 4.147) 5.278 20.807 ( -3.215 -0.274 -3.429) 4.709 20.930 ( -3.812 2.937 9.643) 10.777 21.005 ( -4.463 3.108 2.154) 5.849 21.148 ( 12.886 3.311 -2.593) 13.554 21.198 ( 12.464 5.499 -6.287) 15.004 21.876 ( -2.697 4.089 14.889) 15.674 22.198 ( -8.055 2.962 -17.069) 19.105 23.505 ( 4.629 -8.543 0.063) 9.717 23.521 ( 3.732 -8.475 -1.620) 9.401 102.829 ( 1.102 1.152 0.351) 1.633 102.837 ( 0.700 1.193 -0.558) 1.491 102.901 ( -0.997 1.361 0.824) 1.878 102.915 ( -1.116 1.160 -0.669) 1.743 103.128 ( 0.937 -0.634 0.202) 1.149 103.131 ( 0.941 -0.656 -0.172) 1.160 103.182 ( -0.290 -1.197 1.160) 1.692 103.205 ( -1.062 -1.437 -1.200) 2.152 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 7.070 -0.560 2.657) 7.574 2.454 ( 1.643 0.996 -1.445) 2.404 2.643 ( 8.586 6.083 4.702) 11.525 2.730 ( 9.511 4.345 -2.857) 10.840 2.849 ( 6.577 -5.312 4.384) 9.523 2.874 ( -3.858 0.081 1.811) 4.262 2.935 ( 0.958 0.612 -3.144) 3.343 2.985 ( -8.369 -6.184 -4.575) 11.367 3.449 ( 9.176 -3.031 6.208) 11.485 3.528 ( 6.061 1.028 -0.992) 6.227 3.699 ( -0.883 -7.236 -0.363) 7.299 3.742 ( -2.950 -3.612 -0.693) 4.715 3.821 ( -2.618 -1.877 0.560) 3.270 3.888 ( -7.936 7.491 -0.222) 10.915 3.920 ( 0.920 3.620 -1.801) 4.146 3.934 ( -2.401 7.425 -4.219) 8.871 4.362 ( 4.810 19.304 3.479) 20.197 4.433 ( -1.482 17.673 -3.680) 18.113 4.740 ( 2.584 -0.443 1.466) 3.003 4.796 ( -1.568 -2.396 -4.485) 5.321 5.126 ( 5.469 3.715 5.543) 8.628 5.214 ( -2.874 7.412 7.582) 10.986 5.246 ( 6.602 10.021 -6.962) 13.873 5.343 ( -2.293 10.582 -5.726) 12.248 5.796 ( 5.003 -5.733 2.108) 7.895 5.843 ( 1.709 -6.658 -1.695) 7.080 5.867 ( 1.268 -0.935 2.567) 3.012 5.923 ( -2.515 -0.584 -4.150) 4.887 6.083 ( -0.002 10.510 4.949) 11.616 6.146 ( -4.953 8.893 -2.056) 10.385 6.353 ( 7.645 -8.029 1.879) 11.245 6.449 ( -1.499 -7.697 -2.092) 8.116 6.485 ( 4.367 -7.530 0.693) 8.732 6.574 ( 0.959 -10.956 -5.111) 12.127 6.612 ( -0.128 -5.508 1.526) 5.717 6.638 ( 1.752 -5.328 -0.365) 5.620 7.031 ( 7.114 3.649 5.428) 9.664 7.099 ( 8.030 7.777 -0.731) 11.203 7.317 ( -0.584 -1.535 2.136) 2.694 7.391 ( -1.893 0.473 -4.995) 5.363 7.567 ( -7.549 -4.870 2.798) 9.409 7.614 ( -11.217 -5.269 -0.659) 12.410 7.665 ( -5.462 -5.987 -1.081) 8.176 7.701 ( -8.594 -4.050 -3.119) 9.999 7.965 ( 1.509 2.050 2.147) 3.330 8.013 ( -1.167 0.553 -2.719) 3.010 8.277 ( 3.671 1.834 4.002) 5.732 8.324 ( -0.532 2.061 -0.477) 2.181 8.507 ( -2.201 -6.232 4.566) 8.033 8.543 ( -2.450 -3.509 1.558) 4.555 8.698 ( 0.379 -0.428 1.228) 1.355 8.716 ( 0.708 -0.420 0.668) 1.060 8.866 ( -0.832 -0.355 1.667) 1.897 8.899 ( -3.364 3.663 1.063) 5.086 8.955 ( -2.612 4.716 1.316) 5.549 8.972 ( -3.251 3.249 0.631) 4.639 9.058 ( -1.828 -5.673 -0.848) 6.020 9.115 ( -5.292 -3.988 -5.311) 8.492 9.418 ( -1.090 1.145 -4.295) 4.577 9.467 ( -5.369 0.003 -8.602) 10.140 10.116 ( 8.442 1.040 4.480) 9.613 10.212 ( 3.206 0.571 -4.754) 5.762 10.322 ( -2.742 -1.712 1.456) 3.545 10.359 ( -2.869 -2.008 -2.561) 4.339 10.489 ( 1.473 0.268 4.855) 5.081 10.533 ( -1.200 0.172 2.174) 2.489 10.571 ( 1.360 -1.589 -2.522) 3.276 10.602 ( -2.436 2.535 -4.693) 5.864 10.922 ( 3.896 5.564 2.231) 7.149 10.943 ( 4.235 6.276 0.181) 7.573 11.016 ( -3.498 2.939 3.491) 5.749 11.063 ( -5.334 3.471 -1.060) 6.452 11.283 ( 2.796 -5.372 1.793) 6.316 11.307 ( 1.091 -6.551 -0.601) 6.668 11.510 ( 4.330 -6.389 4.262) 8.816 11.576 ( -0.972 -7.004 -2.765) 7.592 11.754 ( 1.711 -0.069 4.532) 4.845 11.791 ( -1.097 0.472 1.218) 1.706 12.118 ( 1.717 -1.666 -1.139) 2.649 12.145 ( -0.828 -2.149 -3.132) 3.888 12.191 ( 2.112 2.391 5.293) 6.180 12.255 ( -3.848 3.208 4.268) 6.582 12.288 ( 1.506 2.590 -2.393) 3.834 12.319 ( -1.397 4.321 -2.879) 5.376 12.410 ( 4.943 7.796 -0.195) 9.232 12.494 ( -2.212 6.249 -6.868) 9.546 12.857 ( -0.964 4.941 3.954) 6.401 12.911 ( -5.596 4.545 -1.425) 7.349 13.653 ( 11.482 2.316 2.960) 12.081 13.744 ( 4.870 2.074 -5.941) 7.957 14.188 ( -4.080 0.523 2.114) 4.625 14.222 ( -5.129 1.151 -0.066) 5.257 14.596 ( 4.683 -3.264 5.069) 7.634 14.693 ( 1.754 -3.485 -1.835) 4.312 14.784 ( -1.059 -3.393 4.359) 5.625 14.897 ( -4.626 -4.818 -4.273) 7.929 15.065 ( 6.132 0.159 2.956) 6.809 15.115 ( 3.083 -2.159 -1.696) 4.128 16.009 ( 6.601 -8.495 3.315) 11.257 16.085 ( -0.109 -9.052 -4.195) 9.977 16.323 ( 3.273 0.142 2.019) 3.848 16.365 ( -0.282 -0.126 -2.118) 2.141 16.869 ( -2.801 -9.118 0.369) 9.546 16.900 ( -5.327 -8.691 -2.765) 10.562 17.630 ( 1.648 -5.543 -1.015) 5.871 17.643 ( 0.405 -6.179 -2.268) 6.594 18.025 ( -0.555 -8.721 1.557) 8.877 18.033 ( -1.034 -8.606 0.697) 8.696 18.365 ( 1.281 6.021 6.021) 8.611 18.423 ( -3.764 5.164 3.334) 7.208 18.478 ( 0.721 7.906 -2.774) 8.409 18.489 ( -0.782 7.854 -5.347) 9.534 18.598 ( -0.185 7.879 1.049) 7.951 18.620 ( -2.142 6.886 -0.987) 7.279 18.825 ( -2.216 7.785 0.576) 8.114 18.830 ( -2.601 6.507 0.121) 7.009 19.134 ( -2.015 -3.793 -1.705) 4.622 19.190 ( -6.853 -4.524 -7.003) 10.793 19.554 ( -1.601 -0.797 0.486) 1.854 19.581 ( -3.904 -1.768 -2.098) 4.771 20.170 ( 2.805 -2.015 6.521) 7.379 20.196 ( 0.363 -1.487 4.317) 4.581 20.308 ( 7.181 -2.332 7.909) 10.935 20.402 ( -0.980 -3.986 -0.896) 4.201 20.542 ( 5.913 5.245 -0.380) 7.914 20.584 ( 4.782 0.812 -2.010) 5.250 20.652 ( -3.456 4.453 -0.288) 5.644 20.716 ( -5.686 1.861 -3.553) 6.958 20.850 ( -1.306 5.906 6.306) 8.737 20.898 ( -4.843 4.864 1.523) 7.031 21.398 ( 10.006 -0.460 0.109) 10.017 21.457 ( 7.512 -0.695 -5.662) 9.433 21.816 ( 0.186 7.428 6.462) 9.847 21.977 ( -11.913 5.621 -9.384) 16.173 23.577 ( 2.014 -8.807 -0.583) 9.053 23.581 ( 1.588 -8.909 -0.978) 9.102 102.850 ( 0.821 1.240 0.137) 1.493 102.853 ( 0.678 1.295 -0.195) 1.475 102.883 ( -0.527 1.062 0.457) 1.270 102.892 ( -1.078 1.034 -0.420) 1.551 103.148 ( 0.881 -0.849 0.064) 1.225 103.150 ( 0.697 -0.847 -0.076) 1.099 103.174 ( -0.337 -1.103 0.405) 1.222 103.182 ( -1.035 -1.195 -0.401) 1.631 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 13.249 15.548) 20.428 1.665 ( 0.000 14.059 11.981) 18.472 1.930 ( 0.000 8.849 -10.493) 13.726 2.051 ( 0.000 5.555 -16.031) 16.966 2.443 ( 0.000 -5.668 4.424) 7.190 2.537 ( 0.000 -14.349 -5.465) 15.355 2.923 ( 0.000 -4.603 4.454) 6.405 2.955 ( 0.000 2.673 5.740) 6.332 2.991 ( 0.000 13.255 13.600) 18.991 3.203 ( 0.000 11.296 -4.795) 12.271 3.307 ( 0.000 -0.060 7.635) 7.635 3.410 ( 0.000 -2.217 2.215) 3.134 3.580 ( 0.000 4.752 -2.873) 5.553 3.646 ( 0.000 -0.988 -11.428) 11.470 4.101 ( 0.000 3.930 6.346) 7.464 4.240 ( 0.000 5.014 -6.458) 8.176 4.341 ( 0.000 19.663 6.689) 20.770 4.540 ( 0.000 8.070 -11.026) 13.664 4.767 ( 0.000 -0.779 3.591) 3.674 4.838 ( 0.000 -2.953 -2.877) 4.122 5.100 ( 0.000 7.719 8.644) 11.589 5.251 ( 0.000 1.074 -3.272) 3.444 5.387 ( 0.000 15.818 3.238) 16.146 5.438 ( 0.000 6.713 -2.185) 7.059 5.542 ( 0.000 1.129 2.770) 2.991 5.568 ( 0.000 -5.556 1.244) 5.694 5.684 ( 0.000 4.814 -1.093) 4.937 5.721 ( 0.000 -0.709 2.538) 2.635 5.830 ( 0.000 2.031 -9.228) 9.448 5.895 ( 0.000 9.987 -10.069) 14.182 6.133 ( 0.000 -10.879 3.706) 11.493 6.213 ( 0.000 -5.945 -7.123) 9.278 6.419 ( 0.000 -7.326 1.666) 7.513 6.462 ( 0.000 -11.664 -2.332) 11.895 6.955 ( 0.000 -4.552 3.600) 5.804 7.056 ( 0.000 -9.613 -6.238) 11.460 7.311 ( 0.000 1.688 -0.007) 1.689 7.328 ( 0.000 2.956 -2.426) 3.824 7.579 ( 0.000 18.206 0.558) 18.215 7.603 ( 0.000 18.355 -2.253) 18.493 7.847 ( 0.000 3.308 3.076) 4.518 7.912 ( 0.000 1.085 -3.767) 3.920 7.997 ( 0.000 1.933 1.928) 2.730 8.053 ( 0.000 1.325 -3.439) 3.685 8.270 ( 0.000 1.524 4.993) 5.220 8.354 ( 0.000 1.571 -2.857) 3.261 8.500 ( 0.000 -1.613 3.726) 4.060 8.508 ( 0.000 -2.127 3.087) 3.749 8.621 ( 0.000 -13.985 -1.181) 14.035 8.664 ( 0.000 -13.418 -4.434) 14.132 8.960 ( 0.000 -7.285 0.124) 7.286 8.970 ( 0.000 -6.890 -0.464) 6.906 9.294 ( 0.000 5.890 5.841) 8.295 9.421 ( 0.000 1.541 -6.194) 6.383 9.623 ( 0.000 2.434 2.566) 3.537 9.674 ( 0.000 2.011 -1.888) 2.758 9.745 ( 0.000 9.775 -0.667) 9.798 9.775 ( 0.000 2.967 -2.189) 3.687 9.808 ( 0.000 1.289 2.381) 2.708 9.837 ( 0.000 -1.190 0.950) 1.523 9.945 ( 0.000 0.869 2.113) 2.284 9.990 ( 0.000 -1.721 -1.121) 2.054 9.996 ( 0.000 2.557 -0.561) 2.617 10.078 ( 0.000 5.511 -10.651) 11.993 10.232 ( 0.000 0.460 3.427) 3.458 10.254 ( 0.000 0.504 1.168) 1.272 10.459 ( 0.000 -2.537 5.920) 6.441 10.576 ( 0.000 -3.982 -6.425) 7.559 10.670 ( 0.000 -0.077 7.354) 7.354 10.761 ( 0.000 -4.351 -2.142) 4.850 10.950 ( 0.000 -10.931 1.727) 11.066 10.979 ( 0.000 -10.552 -1.707) 10.689 11.051 ( 0.000 13.134 1.699) 13.244 11.121 ( 0.000 5.593 -4.783) 7.360 11.159 ( 0.000 -10.857 6.813) 12.818 11.279 ( 0.000 -11.449 -5.791) 12.831 11.617 ( 0.000 7.426 4.291) 8.576 11.638 ( 0.000 3.374 2.464) 4.178 11.786 ( 0.000 0.391 3.222) 3.245 11.849 ( 0.000 -0.253 -2.245) 2.259 12.005 ( 0.000 12.216 -0.352) 12.221 12.041 ( 0.000 9.234 -2.729) 9.629 12.284 ( 0.000 9.539 0.899) 9.582 12.308 ( 0.000 9.123 -1.688) 9.278 12.534 ( 0.000 -8.542 0.294) 8.547 12.555 ( 0.000 -9.104 -1.781) 9.277 13.102 ( 0.000 -3.100 11.438) 11.851 13.169 ( 0.000 -7.847 5.401) 9.526 13.457 ( 0.000 8.200 -7.107) 10.851 13.459 ( 0.000 6.436 -6.740) 9.319 13.827 ( 0.000 4.252 -4.772) 6.392 13.861 ( 0.000 1.684 -7.501) 7.687 14.380 ( 0.000 12.339 -0.139) 12.340 14.381 ( 0.000 10.058 -0.006) 10.058 14.688 ( 0.000 -8.329 2.199) 8.614 14.721 ( 0.000 -9.462 -0.763) 9.493 15.163 ( 0.000 -19.911 14.539) 24.654 15.352 ( 0.000 -19.451 -6.472) 20.499 15.867 ( 0.000 -17.623 8.671) 19.640 15.935 ( 0.000 -20.528 1.630) 20.593 16.298 ( 0.000 4.791 2.142) 5.248 16.350 ( 0.000 3.208 -3.378) 4.659 16.639 ( 0.000 -8.055 2.485) 8.430 16.654 ( 0.000 -7.135 0.508) 7.154 17.878 ( 0.000 -6.091 3.163) 6.863 17.897 ( 0.000 8.664 5.638) 10.337 17.946 ( 0.000 -7.649 -1.682) 7.832 18.043 ( 0.000 5.668 -6.768) 8.828 18.427 ( 0.000 -0.836 3.017) 3.131 18.477 ( 0.000 0.729 0.632) 0.965 18.646 ( 0.000 5.387 -1.246) 5.529 18.696 ( 0.000 3.650 -3.659) 5.169 19.013 ( 0.000 -3.791 2.769) 4.694 19.040 ( 0.000 -3.517 0.258) 3.526 19.074 ( 0.000 -0.377 0.625) 0.730 19.100 ( 0.000 -0.541 -2.015) 2.086 19.440 ( 0.000 1.182 -0.260) 1.210 19.443 ( 0.000 -0.431 -0.461) 0.631 19.555 ( 0.000 -0.740 2.594) 2.698 19.601 ( 0.000 -3.329 -1.805) 3.787 20.079 ( 0.000 7.005 0.248) 7.009 20.104 ( 0.000 5.444 6.077) 8.159 20.132 ( 0.000 6.299 -3.363) 7.141 20.261 ( 0.000 1.672 -8.584) 8.745 20.425 ( 0.000 4.708 4.762) 6.696 20.501 ( 0.000 3.242 -2.576) 4.140 20.789 ( 0.000 0.772 0.318) 0.834 20.825 ( 0.000 4.092 -3.782) 5.572 20.880 ( 0.000 1.118 6.099) 6.201 20.999 ( 0.000 3.469 -5.900) 6.844 21.123 ( 0.000 -1.775 6.313) 6.558 21.246 ( 0.000 -2.162 -6.045) 6.420 21.930 ( 0.000 19.187 15.960) 24.957 22.237 ( 0.000 17.750 -16.190) 24.025 23.073 ( 0.000 -15.093 5.869) 16.194 23.190 ( 0.000 -13.036 -6.011) 14.355 102.815 ( 0.000 1.381 1.006) 1.709 102.836 ( 0.000 0.799 -1.202) 1.443 102.989 ( 0.000 1.823 0.170) 1.831 102.998 ( 0.000 2.204 -0.911) 2.385 103.094 ( 0.000 -0.205 0.313) 0.374 103.100 ( 0.000 -0.486 -0.284) 0.563 103.165 ( 0.000 -1.717 0.957) 1.965 103.181 ( 0.000 -1.638 -0.751) 1.802 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 12.039 9.135 16.127) 22.101 1.816 ( 11.299 17.958 17.861) 27.734 2.018 ( 9.274 5.514 -13.294) 17.121 2.189 ( 11.752 7.401 -17.536) 22.369 2.444 ( 1.467 -5.437 1.156) 5.749 2.505 ( -1.665 -10.362 -5.783) 11.982 3.006 ( 6.216 7.401 10.917) 14.581 3.105 ( 6.504 8.133 6.043) 12.040 3.136 ( 13.174 -2.099 -0.452) 13.348 3.203 ( 2.250 5.008 -2.591) 6.071 3.351 ( 3.347 -7.489 9.427) 12.496 3.446 ( 6.025 -1.864 5.019) 8.060 3.568 ( -0.347 0.628 -2.874) 2.962 3.707 ( 5.665 1.926 -10.966) 12.492 4.055 ( -2.061 2.726 6.927) 7.724 4.206 ( -2.651 6.396 -7.667) 10.331 4.393 ( 4.331 14.678 9.470) 17.997 4.612 ( 5.931 9.644 -11.581) 16.195 4.808 ( -3.870 4.537 8.163) 10.109 4.902 ( 6.519 -1.969 -0.764) 6.853 5.084 ( 2.242 8.662 0.809) 8.984 5.135 ( -7.345 8.855 -2.100) 11.694 5.350 ( -1.066 11.471 -0.569) 11.534 5.392 ( -4.347 8.815 -3.620) 10.474 5.529 ( -1.950 -3.208 0.797) 3.838 5.575 ( -0.577 -5.080 -2.553) 5.714 5.668 ( 0.547 6.094 2.699) 6.687 5.768 ( 1.671 3.282 -4.372) 5.716 5.866 ( 3.872 1.537 -0.815) 4.245 5.948 ( 3.813 2.234 -6.130) 7.557 6.169 ( 3.581 -9.526 2.907) 10.584 6.202 ( -0.560 -7.333 -1.517) 7.509 6.413 ( 1.545 -8.858 1.476) 9.112 6.474 ( 0.179 -9.205 -4.334) 10.176 6.922 ( -3.264 -5.891 3.159) 7.439 7.005 ( -5.386 -9.452 -4.504) 11.774 7.177 ( -10.299 6.984 0.684) 12.462 7.226 ( -8.383 5.348 -4.106) 10.758 7.547 ( -3.478 15.939 3.845) 16.761 7.619 ( -1.480 14.235 -3.236) 14.673 7.808 ( -2.092 5.444 0.968) 5.912 7.864 ( -2.432 4.063 -4.217) 6.341 8.032 ( 1.238 -3.851 1.675) 4.378 8.075 ( 0.102 -3.832 -2.687) 4.681 8.221 ( -4.885 -3.540 5.108) 7.905 8.312 ( -3.584 0.213 -2.319) 4.274 8.399 ( -5.738 1.271 1.886) 6.173 8.439 ( -5.716 -3.116 -2.033) 6.820 8.598 ( -2.066 -8.106 4.630) 9.561 8.664 ( -3.197 -8.352 -1.901) 9.143 8.909 ( -3.365 -7.735 1.177) 8.517 8.939 ( -2.558 -7.737 -1.337) 8.258 9.233 ( -5.535 3.650 3.185) 7.355 9.325 ( -7.782 0.732 -4.579) 9.059 9.432 ( -15.231 -0.385 1.442) 15.304 9.484 ( -10.680 -0.843 -3.132) 11.162 9.673 ( -8.634 7.674 4.935) 12.561 9.740 ( -9.103 5.257 0.367) 10.518 9.797 ( -2.537 8.675 -2.463) 9.368 9.838 ( -3.883 7.187 -4.398) 9.278 9.922 ( 2.326 -2.754 2.387) 4.324 9.980 ( 2.906 -3.276 -2.971) 5.292 10.070 ( 3.538 3.580 0.450) 5.053 10.127 ( 7.513 0.918 -4.973) 9.056 10.261 ( 0.476 -1.203 3.479) 3.712 10.307 ( 4.797 -2.051 0.709) 5.265 10.494 ( 3.231 0.047 2.676) 4.195 10.565 ( 1.029 -1.981 -3.689) 4.312 10.794 ( 7.452 -3.839 4.441) 9.487 10.841 ( 4.219 -4.652 -0.425) 6.295 10.918 ( -2.382 -5.329 3.213) 6.663 10.966 ( -2.177 -3.729 -1.668) 4.629 11.047 ( 2.423 -3.113 2.804) 4.840 11.088 ( 4.743 -2.519 -0.668) 5.412 11.316 ( 6.566 -4.093 2.247) 8.056 11.389 ( 7.039 -2.770 -5.085) 9.115 11.641 ( 4.259 6.968 4.409) 9.281 11.709 ( 4.676 5.684 -1.875) 7.596 11.860 ( 6.444 0.122 2.527) 6.923 11.901 ( 4.057 -1.410 -1.021) 4.415 12.046 ( 5.033 11.000 2.573) 12.367 12.097 ( 5.116 8.617 -2.395) 10.303 12.296 ( 1.116 6.017 1.759) 6.367 12.330 ( 0.872 5.931 -1.392) 6.155 12.486 ( -3.185 -4.105 1.135) 5.318 12.531 ( -1.393 -3.969 -3.618) 5.548 13.091 ( -1.250 -4.121 12.485) 13.207 13.208 ( 1.387 -8.729 1.578) 8.978 13.417 ( -2.263 9.008 -5.455) 10.772 13.451 ( -0.764 8.012 -9.250) 12.261 13.907 ( 8.101 2.461 -1.890) 8.675 13.960 ( 8.435 -0.994 -5.923) 10.355 14.400 ( 2.290 9.226 0.655) 9.529 14.430 ( 4.734 11.404 -2.730) 12.646 14.647 ( -3.936 -8.912 3.135) 10.235 14.693 ( -2.602 -9.512 -1.021) 9.915 15.122 ( -3.939 -16.741 14.851) 22.723 15.326 ( -3.190 -18.469 -7.097) 20.041 15.739 ( -8.561 -9.249 7.666) 14.751 15.814 ( -7.424 -11.636 -0.109) 13.803 16.307 ( 0.241 3.778 3.171) 4.938 16.372 ( 0.609 1.094 -3.400) 3.623 16.657 ( 2.942 -10.148 4.769) 11.592 16.741 ( 4.530 -13.253 -3.136) 14.353 17.806 ( -4.806 0.352 3.100) 5.730 17.858 ( -5.231 0.573 -1.401) 5.446 17.943 ( 0.248 -2.494 3.502) 4.306 18.028 ( -1.681 2.347 -4.457) 5.311 18.426 ( 0.015 0.393 3.433) 3.455 18.478 ( 0.326 0.085 0.141) 0.365 18.639 ( -0.743 4.908 -0.692) 5.012 18.696 ( -0.107 2.954 -4.402) 5.303 18.928 ( -5.874 -1.045 3.509) 6.921 18.984 ( -5.255 0.564 -2.117) 5.693 19.097 ( 1.390 -3.243 2.401) 4.268 19.142 ( 2.325 -2.017 -1.918) 3.627 19.431 ( -1.894 -0.426 0.906) 2.142 19.453 ( -0.039 -1.249 -1.103) 1.667 19.592 ( 2.171 -0.445 3.755) 4.360 19.653 ( 4.971 -2.625 -2.520) 6.160 20.050 ( 0.480 5.359 1.911) 5.710 20.100 ( -2.236 6.245 -3.927) 7.708 20.133 ( 0.017 5.028 2.172) 5.477 20.234 ( -2.434 2.373 -6.225) 7.093 20.454 ( 2.355 3.449 3.827) 5.664 20.528 ( 2.242 2.547 -2.888) 4.456 20.743 ( -2.939 0.795 1.734) 3.504 20.799 ( -1.478 1.492 -4.103) 4.609 20.902 ( 2.238 4.519 6.704) 8.389 21.027 ( 2.449 5.078 -5.286) 7.729 21.120 ( -0.400 -0.372 5.920) 5.945 21.238 ( -0.936 -0.675 -5.588) 5.706 21.976 ( 3.703 16.813 17.033) 24.218 22.310 ( 5.246 13.116 -17.548) 22.527 23.097 ( 2.319 -15.194 4.866) 16.122 23.199 ( 0.922 -13.194 -5.557) 14.346 102.820 ( 0.490 1.403 0.911) 1.743 102.840 ( 0.304 0.893 -1.097) 1.446 102.983 ( -0.563 1.899 0.085) 1.982 102.989 ( -0.798 2.328 -0.639) 2.542 103.096 ( 0.172 -0.257 0.209) 0.374 103.099 ( -0.030 -0.446 -0.135) 0.467 103.158 ( -0.312 -1.678 1.571) 2.320 103.186 ( 0.148 -2.129 -1.404) 2.555 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 12.266 6.017 15.001) 20.290 2.066 ( 14.661 10.305 17.103) 24.772 2.288 ( 13.299 1.973 -14.024) 19.427 2.419 ( 6.457 7.315 -12.619) 15.951 2.526 ( 9.865 -4.005 -0.769) 10.675 2.576 ( 9.093 4.099 -6.157) 11.722 3.142 ( 3.501 6.047 6.123) 9.290 3.176 ( -1.959 -0.176 7.522) 7.775 3.190 ( 4.480 2.249 0.870) 5.088 3.286 ( -1.477 1.751 -3.033) 3.801 3.496 ( 7.319 -6.669 0.422) 9.911 3.562 ( 1.515 -8.608 -7.851) 11.749 3.698 ( 11.595 0.903 10.211) 15.476 3.861 ( 7.467 3.827 -5.643) 10.111 4.122 ( 9.586 -5.325 5.320) 12.188 4.208 ( 4.313 1.320 -3.587) 5.763 4.469 ( 2.174 8.278 11.528) 14.358 4.637 ( -6.988 11.666 12.359) 18.376 4.721 ( 1.630 10.094 -12.426) 16.092 4.868 ( -6.683 13.884 -9.171) 17.931 5.078 ( 2.267 11.571 4.999) 12.807 5.190 ( 2.573 13.387 -6.519) 15.110 5.386 ( -0.227 5.743 0.661) 5.786 5.429 ( 8.873 8.534 -3.500) 12.799 5.498 ( -0.058 -1.156 -1.895) 2.220 5.510 ( 0.920 -4.723 -2.791) 5.562 5.734 ( 4.864 0.531 1.696) 5.179 5.772 ( 0.177 3.717 -2.968) 4.760 5.966 ( 4.918 -6.977 3.513) 9.231 6.033 ( 4.447 -7.163 -2.909) 8.919 6.220 ( 3.432 -5.623 4.510) 7.984 6.277 ( 5.989 -6.205 -0.063) 8.623 6.468 ( -0.033 -5.958 -2.869) 6.613 6.485 ( 3.019 -4.204 -3.897) 6.478 6.798 ( -11.999 0.469 2.212) 12.210 6.822 ( -8.525 -5.736 0.868) 10.311 6.975 ( -7.712 6.021 1.122) 9.848 7.054 ( -6.220 1.732 -6.029) 8.834 7.418 ( -8.118 10.547 6.352) 14.748 7.516 ( -7.527 8.365 -3.883) 11.904 7.775 ( -2.264 5.086 1.250) 5.706 7.846 ( -1.836 2.198 -5.808) 6.476 7.967 ( -6.887 -10.459 1.043) 12.566 8.005 ( -5.006 -9.048 -2.595) 10.661 8.126 ( -3.476 -4.926 3.418) 6.930 8.191 ( -7.251 -2.875 -2.005) 8.054 8.299 ( -4.644 6.606 3.192) 8.683 8.384 ( -1.584 0.638 -3.565) 3.953 8.524 ( -2.243 -1.584 3.077) 4.124 8.541 ( -6.310 -4.444 1.342) 7.833 8.838 ( -4.717 -6.553 5.526) 9.784 8.900 ( -1.039 -8.212 -0.156) 8.279 9.036 ( -12.075 -0.691 -0.691) 12.115 9.112 ( -12.083 0.266 -5.769) 13.392 9.190 ( -7.038 -1.069 3.529) 7.945 9.294 ( -7.501 -2.872 -6.077) 10.072 9.429 ( -12.427 6.853 5.843) 15.347 9.499 ( -11.895 8.246 -1.749) 14.579 9.692 ( -8.455 3.626 -1.685) 9.353 9.746 ( -4.449 7.158 -6.729) 10.785 9.944 ( 0.386 0.144 4.503) 4.522 10.062 ( 3.701 -1.633 -5.940) 7.186 10.174 ( 6.488 2.758 5.345) 8.847 10.287 ( 4.230 0.030 -3.145) 5.271 10.322 ( 6.958 -0.549 0.771) 7.022 10.387 ( 3.420 -1.154 -3.283) 4.879 10.589 ( 6.112 -3.693 3.433) 7.923 10.609 ( 2.519 -3.097 1.818) 4.387 10.826 ( -4.000 -2.096 4.944) 6.696 10.894 ( -3.345 -3.832 -2.439) 5.641 10.921 ( 4.731 -5.149 1.164) 7.088 10.965 ( 5.901 -3.801 -3.045) 7.651 11.154 ( 5.481 -5.357 6.931) 10.333 11.223 ( 5.162 -0.730 2.004) 5.585 11.392 ( 1.680 -4.145 0.354) 4.487 11.457 ( -1.197 2.409 -5.181) 5.838 11.761 ( 5.290 6.869 2.273) 8.963 11.806 ( 4.090 8.243 -2.020) 9.421 11.985 ( 4.185 -1.033 1.398) 4.531 12.007 ( 6.771 -0.591 -0.398) 6.808 12.211 ( 8.088 8.533 1.708) 11.880 12.241 ( 6.424 7.106 -1.386) 9.680 12.299 ( -0.151 -0.750 2.226) 2.354 12.327 ( 1.329 0.935 0.436) 1.683 12.472 ( 2.109 3.480 1.544) 4.353 12.518 ( -0.526 2.503 -2.937) 3.895 13.038 ( -3.738 -4.531 11.445) 12.864 13.162 ( -4.870 -4.873 -1.775) 7.114 13.417 ( 2.780 10.063 -3.877) 11.137 13.481 ( 4.790 9.529 -11.573) 15.737 14.140 ( 10.280 -2.421 0.811) 10.592 14.155 ( 11.558 -3.097 -0.576) 11.979 14.456 ( 0.415 0.197 2.440) 2.483 14.535 ( -3.129 -5.808 -1.983) 6.889 14.582 ( 5.610 1.211 -1.051) 5.834 14.640 ( 0.724 -2.032 -2.232) 3.104 15.023 ( -4.347 -6.699 11.988) 14.404 15.206 ( -7.130 -8.689 -6.890) 13.183 15.626 ( -1.275 -7.283 8.903) 11.573 15.748 ( 0.932 -10.047 -4.158) 10.913 16.303 ( -0.409 3.347 3.684) 4.995 16.370 ( -0.414 0.944 -2.808) 2.991 16.710 ( 1.318 -13.202 3.699) 13.773 16.794 ( 0.328 -16.017 -4.250) 16.575 17.701 ( -4.879 2.635 1.442) 5.730 17.737 ( -5.563 2.339 -2.024) 6.365 17.936 ( -0.798 -2.955 2.990) 4.279 17.983 ( -2.269 -1.292 -1.890) 3.224 18.435 ( 0.914 1.576 4.782) 5.118 18.490 ( 0.673 -0.403 0.721) 1.065 18.610 ( -2.182 3.224 -0.981) 4.015 18.675 ( -2.952 -0.145 -5.516) 6.258 18.809 ( -4.199 3.908 3.777) 6.868 18.873 ( -4.760 3.747 -2.498) 6.553 19.088 ( -2.214 -0.618 3.093) 3.854 19.161 ( -1.043 1.250 -3.699) 4.042 19.348 ( -5.971 -0.034 2.340) 6.414 19.401 ( -5.029 -2.827 -2.585) 6.322 19.615 ( -0.479 -3.212 5.928) 6.760 19.721 ( -1.091 -4.555 -4.683) 6.624 20.079 ( 0.814 5.848 -0.014) 5.905 20.101 ( 1.923 5.315 -1.689) 5.899 20.140 ( 3.715 2.787 1.785) 4.975 20.195 ( 0.394 2.185 -3.924) 4.509 20.496 ( 1.300 2.372 2.748) 3.855 20.555 ( -0.270 0.769 -2.292) 2.433 20.717 ( 0.734 -0.316 2.659) 2.777 20.790 ( 0.428 -2.214 -4.029) 4.617 20.988 ( 5.666 7.661 8.867) 13.016 21.087 ( 1.537 3.174 2.504) 4.325 21.113 ( 1.133 4.077 -0.726) 4.293 21.216 ( 0.088 3.489 -7.455) 8.231 22.042 ( 1.951 13.973 16.744) 21.896 22.378 ( 0.276 8.776 -17.338) 19.434 23.167 ( 4.242 -15.678 2.731) 16.470 23.232 ( 2.300 -13.829 -4.048) 14.592 102.835 ( 0.902 1.457 0.655) 1.834 102.849 ( 0.591 1.113 -0.816) 1.501 102.964 ( -1.227 2.295 0.169) 2.608 102.969 ( -1.028 2.011 -0.358) 2.286 103.102 ( 0.351 -0.503 0.115) 0.624 103.103 ( 0.484 -0.548 -0.005) 0.731 103.154 ( -0.109 -1.863 1.458) 2.368 103.182 ( -0.493 -2.397 -1.431) 2.835 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 10.635 3.891 9.277) 14.639 2.345 ( 8.490 -1.713 1.033) 8.723 2.497 ( 11.831 -0.865 1.869) 12.009 2.609 ( 9.636 0.598 -2.195) 9.901 2.724 ( 7.294 9.742 1.393) 12.250 2.813 ( 10.798 6.759 -9.880) 16.121 3.041 ( -6.643 1.736 4.617) 8.273 3.118 ( -8.803 0.454 0.119) 8.815 3.256 ( 4.473 0.572 4.411) 6.308 3.368 ( 8.313 0.223 -5.951) 10.226 3.571 ( -0.596 -8.628 -2.389) 8.972 3.597 ( 2.678 -6.781 -4.280) 8.455 3.858 ( 4.422 3.495 6.849) 8.870 3.963 ( 3.480 6.254 -3.532) 7.981 4.194 ( -6.758 3.925 6.183) 9.966 4.263 ( -1.846 0.609 -0.965) 2.170 4.584 ( 4.861 0.766 6.097) 7.835 4.623 ( 7.163 7.054 4.326) 10.945 4.747 ( 5.130 10.194 -4.429) 12.241 4.790 ( -2.431 16.985 -6.760) 18.442 5.157 ( 6.565 10.642 6.162) 13.940 5.271 ( 0.835 4.053 2.149) 4.663 5.347 ( 3.806 11.032 -7.278) 13.754 5.417 ( 0.142 -3.222 -6.623) 7.367 5.639 ( 5.506 3.480 0.669) 6.547 5.658 ( 5.883 4.849 -0.665) 7.652 5.790 ( 2.495 -2.571 2.387) 4.305 5.863 ( 5.285 -3.147 -4.756) 7.776 6.064 ( 4.579 -8.920 3.550) 10.637 6.133 ( 4.974 -7.622 -2.351) 9.400 6.354 ( 7.203 -6.265 4.942) 10.750 6.395 ( 1.605 -2.472 1.268) 3.209 6.462 ( 1.537 -1.918 -1.194) 2.732 6.487 ( -2.853 -3.193 -3.730) 5.679 6.531 ( -10.052 9.819 3.474) 14.475 6.627 ( -7.239 8.095 -5.143) 12.016 6.926 ( 1.546 -4.084 2.946) 5.268 7.000 ( 1.191 -1.802 -3.647) 4.238 7.270 ( -4.351 1.475 4.758) 6.614 7.347 ( -6.927 0.599 -3.409) 7.744 7.618 ( -12.607 -11.990 2.169) 17.533 7.684 ( -11.816 -12.873 -4.665) 18.086 7.832 ( -5.728 4.883 4.995) 9.033 7.944 ( -6.395 5.285 -5.829) 10.139 8.050 ( -3.669 -0.776 1.325) 3.978 8.096 ( -3.261 -2.355 -2.848) 4.929 8.184 ( -1.159 0.100 5.637) 5.756 8.303 ( -2.788 -2.250 -5.098) 6.231 8.492 ( -0.772 -1.871 7.399) 7.671 8.569 ( 3.253 0.678 -0.946) 3.455 8.707 ( -3.741 1.640 4.244) 5.891 8.817 ( -9.239 0.472 -5.985) 11.018 8.860 ( -4.327 -5.174 3.655) 7.672 8.922 ( -3.859 -6.033 -1.073) 7.241 9.085 ( -4.344 0.124 0.297) 4.356 9.148 ( -6.218 0.417 -4.585) 7.737 9.219 ( -7.415 3.120 5.242) 9.602 9.273 ( -10.160 8.114 -0.262) 13.005 9.498 ( -9.074 -1.434 -0.566) 9.204 9.602 ( -8.311 1.930 -9.989) 13.137 10.003 ( 5.283 2.663 5.931) 8.377 10.137 ( 3.782 0.293 -6.462) 7.494 10.310 ( 5.934 2.221 1.492) 6.510 10.347 ( 1.601 -1.354 -0.292) 2.117 10.428 ( 2.682 0.969 1.193) 3.091 10.465 ( 3.566 -2.129 -1.633) 4.463 10.616 ( -3.111 -0.520 4.584) 5.565 10.701 ( -1.969 -5.096 -3.760) 6.632 10.778 ( 5.318 -3.666 5.001) 8.168 10.861 ( 2.965 -1.142 -3.059) 4.411 11.036 ( 4.978 -5.355 1.974) 7.573 11.086 ( 4.407 -4.576 -2.741) 6.919 11.197 ( -1.396 1.323 7.137) 7.391 11.268 ( 0.348 -3.407 3.867) 5.166 11.375 ( -4.792 0.134 -2.549) 5.430 11.420 ( 0.603 -6.603 -4.300) 7.903 11.822 ( 1.275 7.714 2.645) 8.254 11.870 ( 1.444 6.980 -2.261) 7.478 12.054 ( 1.731 -1.526 1.610) 2.813 12.097 ( 1.156 -2.242 -2.548) 3.586 12.241 ( -0.428 3.262 3.947) 5.138 12.286 ( 3.064 2.271 -0.203) 3.819 12.426 ( 1.695 7.692 -0.332) 7.884 12.430 ( 3.623 8.665 -0.514) 9.406 12.463 ( 2.117 4.962 4.290) 6.892 12.552 ( 3.404 1.920 -4.482) 5.946 12.963 ( -2.732 -1.205 7.858) 8.407 13.065 ( -4.076 -1.608 -2.473) 5.031 13.535 ( 8.553 9.642 1.069) 12.933 13.647 ( 9.942 7.462 -10.836) 16.491 14.269 ( 1.538 -0.275 4.896) 5.139 14.316 ( -3.360 -1.032 0.744) 3.593 14.436 ( 4.188 -9.823 -0.182) 10.680 14.479 ( 2.123 -7.105 -4.302) 8.573 14.700 ( 5.212 -1.284 3.246) 6.273 14.735 ( 2.405 -5.037 0.823) 5.642 15.013 ( 4.368 3.483 2.570) 6.150 15.098 ( -2.485 1.793 -4.365) 5.333 15.671 ( 4.942 -10.811 8.008) 14.333 15.806 ( 3.571 -13.105 -5.980) 14.841 16.301 ( 0.372 2.138 3.375) 4.012 16.363 ( -0.205 0.332 -2.769) 2.796 16.697 ( -2.406 -13.375 2.455) 13.809 16.757 ( -3.627 -15.135 -3.393) 15.929 17.624 ( -2.110 3.633 0.368) 4.218 17.653 ( -2.327 3.496 -2.549) 4.912 17.917 ( -0.921 -3.980 2.123) 4.604 17.940 ( -1.896 -3.449 -0.224) 3.942 18.447 ( -0.983 1.500 6.686) 6.922 18.497 ( 0.589 -1.628 1.550) 2.323 18.536 ( -5.760 -1.122 -1.060) 5.963 18.596 ( -1.492 1.082 -5.785) 6.072 18.770 ( -0.851 6.604 1.815) 6.901 18.809 ( -1.247 7.792 -1.694) 8.071 19.026 ( -2.963 3.914 2.375) 5.454 19.101 ( -4.242 8.191 -4.218) 10.143 19.211 ( -6.411 0.400 1.842) 6.682 19.268 ( -6.986 -2.229 -4.150) 8.426 19.555 ( -4.683 -6.724 2.156) 8.473 19.614 ( -6.874 -5.233 -3.710) 9.402 20.107 ( 2.398 3.829 3.740) 5.866 20.172 ( 0.989 1.164 2.127) 2.619 20.196 ( 5.211 3.427 2.611) 6.761 20.300 ( 5.429 -0.999 -3.813) 6.708 20.521 ( 2.181 1.402 0.517) 2.643 20.539 ( -0.187 -0.045 -0.109) 0.221 20.737 ( 0.125 0.456 1.506) 1.579 20.796 ( -0.535 -1.148 -3.026) 3.280 21.023 ( -1.619 6.266 8.988) 11.075 21.083 ( -2.511 4.714 1.497) 5.547 21.207 ( 8.589 2.579 0.587) 8.987 21.306 ( 6.900 3.097 -8.121) 11.097 22.054 ( -0.359 15.162 12.510) 19.660 22.316 ( -5.727 9.948 -13.753) 17.914 23.259 ( 4.204 -16.443 0.823) 16.992 23.289 ( 2.804 -15.079 -2.267) 15.505 102.856 ( 1.175 1.543 0.324) 1.966 102.864 ( 0.861 1.379 -0.454) 1.688 102.937 ( -1.334 2.144 0.439) 2.563 102.945 ( -1.268 1.795 -0.447) 2.243 103.113 ( 0.658 -0.835 0.183) 1.079 103.115 ( 0.670 -0.870 -0.124) 1.105 103.151 ( -0.203 -1.865 0.869) 2.068 103.168 ( -0.798 -2.231 -0.868) 2.523 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 8.269 1.285 4.154) 9.343 2.468 ( 3.825 0.188 -0.112) 3.832 2.691 ( 2.448 -7.501 3.242) 8.531 2.709 ( -0.959 -4.044 1.401) 4.386 2.838 ( 5.422 7.579 2.909) 9.762 2.930 ( -0.750 4.076 -4.729) 6.289 2.943 ( -1.012 5.032 0.907) 5.213 2.991 ( -1.240 5.064 -3.918) 6.521 3.385 ( 7.325 -2.987 5.900) 9.869 3.507 ( 2.817 -3.099 -2.135) 4.700 3.530 ( -1.907 -8.021 -2.234) 8.542 3.603 ( -2.232 -7.699 -6.650) 10.415 3.925 ( 3.929 7.676 6.390) 10.733 4.027 ( -0.305 8.263 -3.311) 8.907 4.072 ( -2.352 8.340 3.171) 9.227 4.138 ( -5.814 9.683 -3.012) 11.689 4.654 ( 2.690 6.351 4.989) 8.512 4.699 ( -0.918 4.183 4.433) 6.164 4.775 ( 1.472 10.606 -7.250) 12.931 4.813 ( -0.775 7.259 -6.993) 10.110 5.305 ( 5.776 12.921 9.184) 16.872 5.324 ( 4.150 -0.035 8.032) 9.041 5.459 ( 4.286 -1.205 -6.372) 7.773 5.479 ( 2.699 6.351 -7.530) 10.213 5.687 ( -0.001 -1.070 0.905) 1.402 5.701 ( -0.974 -0.209 0.266) 1.031 5.857 ( 4.155 0.373 1.304) 4.371 5.927 ( -0.687 0.982 -5.082) 5.221 6.164 ( 5.965 -7.323 3.999) 10.256 6.228 ( 3.631 -6.452 -1.627) 7.581 6.300 ( -1.896 -2.503 -0.622) 3.201 6.317 ( -6.841 0.615 -1.527) 7.036 6.417 ( -2.142 4.656 2.023) 5.510 6.443 ( -1.740 5.166 -0.788) 5.508 6.534 ( 1.775 -3.482 2.522) 4.651 6.615 ( -3.369 2.256 -5.818) 7.092 7.003 ( 8.867 -5.241 6.334) 12.092 7.103 ( 6.912 -6.745 -2.765) 10.046 7.242 ( -3.626 -5.494 1.932) 6.860 7.285 ( -2.292 -8.505 -2.187) 9.076 7.423 ( 0.494 -8.553 1.495) 8.696 7.483 ( -2.983 -6.525 -4.170) 8.298 7.643 ( -10.444 2.393 4.254) 11.528 7.718 ( -12.931 2.101 -3.335) 13.519 8.003 ( -0.289 2.573 0.572) 2.651 8.029 ( -2.188 1.726 -1.960) 3.407 8.252 ( 3.346 -4.773 2.851) 6.489 8.295 ( -0.877 -5.427 -1.053) 5.597 8.469 ( 2.405 3.258 4.948) 6.394 8.551 ( -3.780 5.272 -1.721) 6.712 8.725 ( 0.478 1.317 0.850) 1.639 8.739 ( -0.614 3.117 0.200) 3.183 8.811 ( 2.914 -3.959 3.191) 5.860 8.899 ( 3.277 -2.773 -2.442) 4.939 8.944 ( -8.237 -0.518 3.719) 9.052 9.058 ( -8.718 -0.198 -4.645) 9.880 9.092 ( -1.803 5.635 2.492) 6.420 9.108 ( -3.246 4.854 0.897) 5.908 9.386 ( -0.658 -4.112 -2.454) 4.834 9.449 ( -5.782 -1.864 -7.741) 9.840 10.141 ( 7.369 1.194 3.743) 8.351 10.222 ( 3.300 0.161 -3.161) 4.572 10.318 ( -3.306 -0.374 1.124) 3.512 10.361 ( -2.844 0.947 -2.978) 4.226 10.479 ( 3.237 -0.236 2.703) 4.224 10.525 ( 1.547 -1.985 -0.784) 2.637 10.545 ( -0.844 1.427 0.911) 1.891 10.611 ( -4.266 -0.638 -4.380) 6.147 10.931 ( 6.469 -4.096 3.744) 8.523 10.972 ( 5.686 -3.069 0.255) 6.466 11.043 ( -3.440 -2.155 4.651) 6.173 11.090 ( -3.360 -2.243 1.052) 4.175 11.223 ( 2.671 0.153 -0.685) 2.762 11.253 ( -0.899 0.835 -2.651) 2.922 11.333 ( 1.463 -7.989 1.852) 8.330 11.396 ( -2.918 -8.449 -3.896) 9.751 11.842 ( 1.067 6.492 2.484) 7.033 11.868 ( -1.128 5.558 0.025) 5.672 12.067 ( 0.414 -2.751 -0.272) 2.795 12.086 ( -1.243 -3.142 -1.708) 3.786 12.267 ( 2.505 4.504 4.964) 7.155 12.335 ( -2.954 4.180 2.709) 5.791 12.369 ( 2.018 4.443 -2.201) 5.353 12.428 ( -2.456 4.912 -3.790) 6.672 12.579 ( 4.295 9.661 1.781) 10.722 12.614 ( 1.150 7.023 -2.050) 7.406 12.942 ( 0.840 2.573 4.160) 4.963 12.989 ( -3.235 2.124 -0.525) 3.906 13.734 ( 8.984 6.403 1.779) 11.174 13.813 ( 3.380 5.172 -5.989) 8.605 14.191 ( -2.640 -0.861 1.590) 3.200 14.235 ( -5.031 -0.817 -2.211) 5.556 14.517 ( 5.969 -4.033 5.862) 9.287 14.613 ( 0.979 -4.036 -0.375) 4.170 14.691 ( 1.730 -5.846 1.982) 6.410 14.775 ( -1.877 -6.889 -3.488) 7.947 15.106 ( 2.114 4.708 0.530) 5.187 15.110 ( 2.662 3.125 0.263) 4.114 15.793 ( 5.567 -13.073 2.771) 14.477 15.855 ( 0.145 -14.056 -3.387) 14.459 16.322 ( 1.672 0.106 1.418) 2.195 16.355 ( -0.958 -0.655 -1.812) 2.152 16.643 ( -1.540 -12.299 0.984) 12.434 16.669 ( -3.779 -13.040 -1.746) 13.689 17.613 ( 0.642 3.373 -0.707) 3.505 17.629 ( -0.621 3.275 -2.317) 4.059 17.900 ( -0.464 -4.273 1.386) 4.516 17.907 ( -1.089 -4.445 0.688) 4.628 18.404 ( -1.345 -0.616 2.917) 3.270 18.426 ( -3.596 -1.327 0.521) 3.869 18.538 ( 2.702 -1.071 1.975) 3.514 18.586 ( -1.212 -1.034 -1.859) 2.449 18.763 ( 0.851 9.065 1.219) 9.186 18.795 ( -1.153 9.721 -1.409) 9.889 18.994 ( 0.122 8.650 -0.123) 8.652 19.021 ( -2.567 10.194 -2.055) 10.711 19.109 ( -2.611 1.710 -1.184) 3.338 19.137 ( -4.908 -0.233 -4.548) 6.695 19.476 ( -1.719 -7.129 -0.188) 7.336 19.499 ( -3.689 -6.426 -2.344) 7.772 20.161 ( 2.350 1.093 3.619) 4.451 20.190 ( -0.001 0.776 1.512) 1.700 20.275 ( 2.870 -1.432 7.259) 7.936 20.331 ( -1.877 -3.274 2.023) 4.282 20.589 ( 4.767 1.169 0.184) 4.912 20.616 ( 5.968 1.481 -2.261) 6.552 20.698 ( -3.656 1.078 0.335) 3.827 20.744 ( -4.520 0.319 -2.777) 5.314 21.005 ( 0.311 8.861 4.256) 9.835 21.031 ( -2.051 7.803 1.644) 8.233 21.372 ( 6.014 -2.484 0.552) 6.530 21.417 ( 2.200 -3.641 -3.419) 5.458 22.066 ( 2.569 18.126 3.403) 18.621 22.173 ( -7.086 14.890 -7.058) 17.936 23.326 ( 1.882 -16.819 -0.332) 16.927 23.333 ( 1.106 -16.325 -1.124) 16.401 102.881 ( 1.073 1.757 0.141) 2.064 102.885 ( 1.018 1.722 -0.246) 2.015 102.911 ( -1.007 1.704 0.378) 2.015 102.918 ( -1.289 1.556 -0.348) 2.051 103.127 ( 0.635 -1.211 0.075) 1.370 103.128 ( 0.488 -1.217 -0.061) 1.312 103.146 ( -0.231 -1.705 0.297) 1.746 103.151 ( -0.741 -1.846 -0.269) 2.007 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 10.627 3.110) 11.073 1.874 ( 0.000 5.427 -3.016) 6.209 2.120 ( 0.000 10.012 -0.812) 10.045 2.162 ( 0.000 4.863 -5.077) 7.030 2.297 ( 0.000 -6.792 -0.613) 6.820 2.300 ( 0.000 -8.710 -0.611) 8.732 2.747 ( 0.000 -9.251 2.852) 9.681 2.753 ( 0.000 -10.131 2.203) 10.368 3.307 ( 0.000 5.268 13.917) 14.880 3.328 ( 0.000 1.298 11.189) 11.264 3.362 ( 0.000 7.266 8.496) 11.179 3.427 ( 0.000 1.824 2.450) 3.055 3.625 ( 0.000 -0.130 -10.330) 10.331 3.631 ( 0.000 0.492 -11.463) 11.474 4.209 ( 0.000 5.700 3.746) 6.821 4.277 ( 0.000 -0.769 -3.179) 3.271 4.613 ( 0.000 2.612 0.048) 2.613 4.617 ( 0.000 0.137 0.091) 0.164 4.932 ( 0.000 15.471 -2.964) 15.752 4.947 ( 0.000 15.713 -4.847) 16.444 5.155 ( 0.000 -3.666 0.990) 3.798 5.207 ( 0.000 -7.820 -4.784) 9.167 5.470 ( 0.000 -0.323 -0.659) 0.734 5.481 ( 0.000 -1.341 -1.337) 1.894 5.556 ( 0.000 5.400 4.077) 6.766 5.612 ( 0.000 1.740 1.065) 2.040 5.698 ( 0.000 -1.924 -2.223) 2.940 5.721 ( 0.000 -0.387 -1.699) 1.742 5.908 ( 0.000 0.190 1.009) 1.027 5.919 ( 0.000 5.073 0.468) 5.094 6.125 ( 0.000 -8.558 3.727) 9.335 6.148 ( 0.000 -12.882 1.427) 12.961 6.175 ( 0.000 3.996 4.636) 6.121 6.303 ( 0.000 0.118 -7.628) 7.629 6.942 ( 0.000 1.101 -0.220) 1.123 6.950 ( 0.000 -1.020 -1.062) 1.473 7.319 ( 0.000 0.059 -0.192) 0.201 7.341 ( 0.000 -1.333 -2.665) 2.980 7.830 ( 0.000 4.699 -0.529) 4.728 7.835 ( 0.000 3.409 -1.417) 3.692 7.929 ( 0.000 2.859 -1.346) 3.160 7.957 ( 0.000 0.276 -2.864) 2.878 8.002 ( 0.000 1.368 0.060) 1.370 8.023 ( 0.000 -0.028 -2.781) 2.781 8.306 ( 0.000 2.542 4.810) 5.440 8.332 ( 0.000 -1.106 4.198) 4.342 8.459 ( 0.000 -3.593 2.275) 4.253 8.466 ( 0.000 -5.751 -0.392) 5.764 8.469 ( 0.000 -0.970 -4.112) 4.225 8.480 ( 0.000 -1.232 -1.237) 1.746 8.875 ( 0.000 -1.462 -0.460) 1.532 8.886 ( 0.000 -2.223 -1.382) 2.617 9.369 ( 0.000 2.208 -0.237) 2.221 9.408 ( 0.000 -1.928 -3.710) 4.181 9.670 ( 0.000 2.713 2.222) 3.506 9.699 ( 0.000 0.110 -0.704) 0.712 9.777 ( 0.000 -0.238 3.501) 3.509 9.800 ( 0.000 -2.205 4.171) 4.718 9.873 ( 0.000 2.154 -0.839) 2.311 9.875 ( 0.000 2.350 -4.068) 4.697 9.991 ( 0.000 4.202 -0.384) 4.220 10.005 ( 0.000 2.610 0.087) 2.611 10.100 ( 0.000 5.356 0.088) 5.357 10.140 ( 0.000 0.553 -6.174) 6.199 10.270 ( 0.000 2.572 3.041) 3.982 10.305 ( 0.000 1.366 -0.955) 1.667 10.405 ( 0.000 -1.856 2.065) 2.776 10.466 ( 0.000 -7.045 -4.115) 8.159 10.615 ( 0.000 -1.743 1.917) 2.591 10.650 ( 0.000 -3.606 -1.493) 3.903 10.809 ( 0.000 0.657 5.433) 5.472 10.885 ( 0.000 0.191 -2.778) 2.785 10.939 ( 0.000 -9.744 4.661) 10.801 11.034 ( 0.000 -11.977 -5.119) 13.025 11.284 ( 0.000 7.843 -0.621) 7.868 11.297 ( 0.000 6.331 -1.841) 6.593 11.681 ( 0.000 1.307 3.570) 3.802 11.693 ( 0.000 0.715 2.435) 2.537 11.802 ( 0.000 1.514 2.905) 3.276 11.833 ( 0.000 -1.274 0.333) 1.317 12.177 ( 0.000 4.656 -2.926) 5.499 12.186 ( 0.000 3.891 -3.292) 5.096 12.394 ( 0.000 1.349 1.809) 2.256 12.397 ( 0.000 -0.546 1.141) 1.265 12.425 ( 0.000 -2.276 -1.179) 2.564 12.428 ( 0.000 -0.654 -1.017) 1.209 13.033 ( 0.000 -2.209 9.467) 9.721 13.049 ( 0.000 -3.912 7.497) 8.456 13.590 ( 0.000 4.547 -5.536) 7.164 13.591 ( 0.000 4.316 -5.128) 6.702 13.884 ( 0.000 1.554 -7.415) 7.576 13.888 ( 0.000 0.920 -7.383) 7.440 14.538 ( 0.000 -3.658 2.041) 4.188 14.554 ( 0.000 -5.231 -0.043) 5.231 14.589 ( 0.000 9.600 2.837) 10.011 14.636 ( 0.000 10.205 -3.035) 10.647 14.868 ( 0.000 -9.037 9.315) 12.978 14.994 ( 0.000 -16.137 -4.551) 16.766 15.644 ( 0.000 -5.621 5.462) 7.838 15.661 ( 0.000 -7.559 3.755) 8.440 16.385 ( 0.000 3.448 0.396) 3.471 16.396 ( 0.000 1.623 -0.578) 1.723 16.518 ( 0.000 -3.590 1.947) 4.084 16.536 ( 0.000 -4.608 -0.180) 4.612 17.789 ( 0.000 -1.757 1.407) 2.251 17.819 ( 0.000 -4.509 -1.644) 4.799 18.078 ( 0.000 8.433 5.138) 9.875 18.157 ( 0.000 2.472 -2.268) 3.354 18.387 ( 0.000 -0.873 2.831) 2.962 18.440 ( 0.000 -4.012 -0.959) 4.125 18.717 ( 0.000 2.098 -2.443) 3.220 18.734 ( 0.000 0.379 -3.029) 3.053 18.972 ( 0.000 -0.525 2.983) 3.029 18.986 ( 0.000 -1.875 1.352) 2.312 19.082 ( 0.000 0.723 -0.936) 1.183 19.093 ( 0.000 -0.373 -1.981) 2.016 19.445 ( 0.000 0.345 -0.412) 0.537 19.451 ( 0.000 -0.066 -0.871) 0.874 19.553 ( 0.000 0.265 1.190) 1.219 19.563 ( 0.000 -0.894 0.145) 0.905 20.178 ( 0.000 2.801 0.730) 2.894 20.183 ( 0.000 2.202 2.827) 3.583 20.234 ( 0.000 3.948 -4.304) 5.840 20.277 ( 0.000 -0.433 -6.182) 6.197 20.520 ( 0.000 4.167 3.145) 5.221 20.549 ( 0.000 1.183 0.424) 1.256 20.765 ( 0.000 -1.469 2.149) 2.603 20.777 ( 0.000 -2.892 1.843) 3.429 20.975 ( 0.000 4.026 2.541) 4.761 21.030 ( 0.000 -1.446 1.092) 1.812 21.121 ( 0.000 2.561 -2.357) 3.481 21.187 ( 0.000 -3.585 -5.879) 6.886 22.331 ( 0.000 21.060 12.436) 24.458 22.567 ( 0.000 14.973 -11.408) 18.824 22.743 ( 0.000 -17.201 7.572) 18.794 22.905 ( 0.000 -15.871 -8.449) 17.980 102.838 ( 0.000 0.859 0.392) 0.944 102.845 ( 0.000 0.064 -0.413) 0.418 103.019 ( 0.000 1.088 0.236) 1.113 103.025 ( 0.000 0.520 -0.444) 0.684 103.093 ( 0.000 -0.012 0.146) 0.147 103.093 ( 0.000 -0.170 0.054) 0.178 103.141 ( 0.000 -0.414 0.278) 0.498 103.151 ( 0.000 -1.227 -0.682) 1.403 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.148 8.448 6.147) 12.122 2.013 ( 8.042 -4.358 -8.814) 12.702 2.179 ( 6.470 13.269 10.324) 18.015 2.270 ( 8.472 0.128 4.619) 9.650 2.368 ( 8.663 1.155 -6.553) 10.923 2.417 ( 11.093 0.337 -9.779) 14.791 2.913 ( 12.978 -9.351 4.437) 16.600 2.929 ( 13.996 -11.934 3.024) 18.640 3.265 ( -0.409 3.790 6.532) 7.563 3.290 ( -1.441 0.805 6.528) 6.733 3.327 ( -2.376 5.448 4.069) 7.202 3.407 ( -3.012 -2.419 0.066) 3.864 3.641 ( 2.806 4.574 -2.368) 5.865 3.709 ( 4.313 -2.006 -7.470) 8.856 4.172 ( -2.539 7.879 4.989) 9.665 4.268 ( -1.430 -0.542 -3.816) 4.111 4.596 ( -1.470 3.974 2.904) 5.136 4.656 ( 2.265 -2.531 -1.962) 3.923 4.972 ( 4.683 12.416 4.564) 14.033 5.082 ( 6.173 12.169 -6.288) 15.024 5.173 ( 6.417 0.566 -0.356) 6.452 5.242 ( 3.022 1.941 -5.246) 6.358 5.410 ( -4.959 -0.870 -0.815) 5.100 5.427 ( -4.128 -3.927 -2.927) 6.405 5.536 ( -0.168 4.520 2.061) 4.970 5.570 ( -2.308 2.573 -0.817) 3.552 5.708 ( 2.227 -1.977 2.046) 3.613 5.759 ( 2.754 -5.132 -2.972) 6.539 5.955 ( 1.250 5.574 2.780) 6.353 5.988 ( 4.319 0.162 -0.087) 4.323 6.085 ( -4.512 0.865 3.524) 5.790 6.170 ( -7.246 1.012 -4.403) 8.539 6.189 ( 5.511 -8.272 3.788) 10.637 6.255 ( 4.472 -9.960 -3.272) 11.397 6.890 ( -4.917 0.572 -0.199) 4.954 6.900 ( -4.847 -1.109 -1.036) 5.079 7.272 ( -4.485 3.846 0.422) 5.923 7.302 ( -3.984 1.822 -2.861) 5.232 7.755 ( -6.933 0.582 -0.121) 6.958 7.792 ( -5.195 -2.135 -3.676) 6.713 7.896 ( -2.737 2.589 -0.246) 3.776 7.926 ( -1.945 1.308 -2.608) 3.506 7.958 ( -4.226 1.730 0.852) 4.646 7.988 ( -2.651 1.896 -1.671) 3.662 8.195 ( -8.386 1.789 4.022) 9.471 8.272 ( -8.283 -3.508 -3.014) 9.486 8.415 ( -0.046 0.738 2.666) 2.766 8.456 ( -0.888 2.867 0.202) 3.008 8.473 ( 0.677 -5.092 4.832) 7.053 8.531 ( 0.830 -4.730 -0.129) 4.804 8.813 ( -4.959 -1.881 -0.713) 5.352 8.829 ( -4.433 -3.339 -1.909) 5.869 9.281 ( -7.916 1.646 -0.479) 8.099 9.311 ( -8.523 -1.546 -2.559) 9.032 9.438 ( -15.530 0.698 -1.741) 15.643 9.458 ( -13.846 -1.429 -3.230) 14.289 9.772 ( -7.647 2.484 3.059) 8.602 9.793 ( -5.393 0.095 1.130) 5.511 9.895 ( 5.687 1.430 1.814) 6.138 9.919 ( 3.805 -0.404 0.678) 3.886 9.992 ( -4.732 7.272 -2.122) 8.931 9.997 ( -5.493 6.351 -1.719) 8.571 10.138 ( 3.980 0.126 -1.273) 4.180 10.153 ( 6.710 0.267 -1.855) 6.966 10.272 ( 0.731 2.260 1.352) 2.733 10.294 ( 0.639 0.262 -0.344) 0.771 10.484 ( 3.993 -1.078 0.243) 4.143 10.506 ( 1.617 -1.866 -2.611) 3.593 10.682 ( 5.939 -4.474 2.404) 7.815 10.713 ( 4.815 -5.556 -0.333) 7.360 10.807 ( -0.498 -2.280 4.552) 5.116 10.842 ( -3.241 -6.264 0.480) 7.069 10.978 ( 4.585 -2.161 1.716) 5.351 11.020 ( 3.607 -5.445 -2.644) 7.046 11.389 ( 6.377 6.586 1.161) 9.241 11.429 ( 8.325 2.865 -3.042) 9.315 11.737 ( 5.502 3.066 3.578) 7.244 11.767 ( 6.546 0.422 1.199) 6.668 11.857 ( 4.630 0.020 0.947) 4.726 11.874 ( 3.444 -1.347 -0.189) 3.703 12.197 ( 2.200 2.865 -1.304) 3.840 12.211 ( 1.717 1.887 -2.134) 3.326 12.377 ( 0.769 4.872 2.128) 5.372 12.398 ( -0.457 3.321 0.016) 3.352 12.455 ( 3.107 -0.790 1.008) 3.360 12.487 ( 3.993 -2.492 -1.969) 5.102 13.007 ( -2.357 -2.152 9.317) 9.849 13.050 ( -0.318 -6.279 4.739) 7.873 13.577 ( -0.378 5.943 -4.622) 7.538 13.595 ( 0.396 4.454 -6.814) 8.150 13.932 ( 4.811 0.308 -5.863) 7.590 13.942 ( 5.008 -0.851 -6.137) 7.967 14.493 ( -3.883 -3.345 1.879) 5.459 14.514 ( -3.642 -5.221 -0.335) 6.375 14.598 ( 1.077 7.635 2.873) 8.229 14.646 ( 0.941 6.910 -2.513) 7.412 14.899 ( 3.050 -4.776 8.181) 9.952 15.016 ( 2.174 -12.970 -4.319) 13.842 15.601 ( -3.870 -3.723 5.423) 7.632 15.626 ( -2.978 -6.327 2.744) 7.512 16.389 ( 0.175 3.954 0.618) 4.006 16.401 ( 0.278 1.791 -0.544) 1.892 16.509 ( -0.326 -4.589 2.342) 5.163 16.543 ( 0.262 -7.195 -1.094) 7.282 17.766 ( -1.948 -1.141 1.120) 2.520 17.792 ( -2.293 -3.626 -1.521) 4.552 18.046 ( -2.949 6.989 3.721) 8.449 18.105 ( -4.407 2.125 -2.200) 5.364 18.403 ( 1.256 -0.809 3.319) 3.640 18.439 ( 0.237 -3.334 0.735) 3.422 18.697 ( -1.883 1.573 -2.367) 3.409 18.715 ( -1.840 -0.366 -3.036) 3.569 18.949 ( -1.855 2.665 3.919) 5.089 19.004 ( 0.582 -1.243 -0.089) 1.375 19.040 ( -2.731 0.128 0.321) 2.753 19.089 ( -0.121 -3.097 -2.765) 4.153 19.438 ( -1.025 0.555 -0.594) 1.308 19.444 ( -1.003 -0.099 -1.052) 1.457 19.600 ( 2.943 0.890 1.974) 3.653 19.619 ( 4.224 -1.125 0.025) 4.371 20.141 ( -1.475 3.516 1.152) 3.983 20.171 ( -2.316 0.762 -0.616) 2.515 20.221 ( -0.508 3.774 -3.119) 4.922 20.261 ( -1.440 -0.143 -5.381) 5.572 20.524 ( 0.239 3.298 3.374) 4.724 20.558 ( 0.283 0.121 0.319) 0.443 20.733 ( -2.086 -0.342 1.686) 2.704 20.757 ( -1.386 -2.718 -0.369) 3.073 21.009 ( 3.368 4.203 4.666) 7.126 21.061 ( 2.675 -1.272 3.277) 4.417 21.148 ( 2.022 3.000 -3.115) 4.774 21.204 ( 1.292 -2.582 -5.597) 6.298 22.353 ( 1.864 20.757 12.200) 24.149 22.590 ( 1.724 14.609 -11.788) 18.851 22.760 ( 1.604 -18.387 7.101) 19.776 22.911 ( 0.616 -15.899 -8.078) 17.844 102.843 ( 0.514 0.855 0.358) 1.060 102.850 ( 0.453 0.127 -0.381) 0.605 103.014 ( -0.416 1.162 0.193) 1.250 103.020 ( -0.482 0.687 -0.433) 0.945 103.093 ( 0.085 0.031 0.190) 0.211 103.095 ( 0.174 0.012 -0.021) 0.176 103.133 ( -0.653 -0.499 0.612) 1.025 103.147 ( -0.407 -1.683 -0.859) 1.933 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 9.647 3.208 5.575) 11.595 2.145 ( 6.099 -6.609 -4.208) 9.929 2.344 ( 8.248 8.132 11.098) 16.042 2.437 ( 7.571 -1.693 4.285) 8.863 2.671 ( 17.321 11.914 -4.262) 21.451 2.735 ( 16.961 9.090 -11.522) 22.429 3.079 ( -0.121 -8.470 6.084) 10.430 3.123 ( 7.309 -8.964 1.981) 11.735 3.251 ( -2.413 3.695 3.849) 5.855 3.304 ( -4.831 -1.348 -0.271) 5.023 3.396 ( 8.624 -0.722 -2.044) 8.893 3.420 ( 5.128 -3.279 -5.557) 8.242 3.751 ( 10.417 3.943 6.542) 12.917 3.846 ( 12.026 -5.002 -1.975) 13.174 4.128 ( -1.801 5.404 4.682) 7.373 4.214 ( -3.210 -1.850 -2.728) 4.601 4.557 ( -1.399 4.740 4.280) 6.538 4.665 ( -1.127 -5.034 -4.542) 6.873 5.022 ( -0.229 14.764 5.110) 15.625 5.113 ( -2.604 6.146 -4.894) 8.277 5.287 ( -2.406 7.252 1.291) 7.749 5.338 ( 1.423 1.713 -3.327) 4.003 5.403 ( 6.217 0.250 0.455) 6.238 5.467 ( 12.453 -0.589 -5.433) 13.599 5.556 ( 1.201 5.851 1.340) 6.121 5.586 ( 5.830 3.176 -1.533) 6.814 5.776 ( 3.583 -0.749 3.178) 4.848 5.834 ( 2.225 -5.890 -1.682) 6.517 5.870 ( -3.194 4.027 1.305) 5.303 5.924 ( -9.297 1.126 -3.491) 9.994 6.081 ( 4.991 -4.774 2.685) 7.410 6.132 ( 5.870 -8.588 -2.373) 10.670 6.357 ( 8.050 -2.166 1.434) 8.459 6.398 ( 6.911 -4.997 -2.995) 9.039 6.754 ( -7.154 -0.104 0.637) 7.183 6.767 ( -6.866 -1.243 -0.323) 6.986 7.141 ( -7.678 9.537 0.828) 12.271 7.176 ( -7.434 8.142 -2.955) 11.414 7.540 ( -13.534 -6.531 0.758) 15.046 7.601 ( -12.120 -10.781 -5.627) 17.169 7.765 ( -11.924 6.432 2.682) 13.811 7.780 ( -12.987 5.087 1.364) 14.014 7.941 ( 2.526 2.301 1.051) 3.575 7.984 ( 2.138 3.163 -2.877) 4.780 8.030 ( -4.500 -5.180 2.610) 7.341 8.102 ( -5.662 -5.941 -3.923) 9.096 8.356 ( -8.593 -0.204 0.662) 8.621 8.376 ( -5.995 -2.018 -1.586) 6.521 8.510 ( 1.173 2.594 6.432) 7.034 8.530 ( 2.021 1.313 4.029) 4.695 8.728 ( -2.773 -3.758 1.059) 4.789 8.750 ( -2.263 -5.943 -0.875) 6.420 9.048 ( -12.381 1.976 0.716) 12.558 9.094 ( -11.467 -2.014 -1.209) 11.705 9.183 ( -8.777 0.756 -4.936) 10.098 9.225 ( -8.763 -3.334 -6.587) 11.458 9.558 ( -11.655 5.457 4.698) 13.700 9.615 ( -10.325 0.818 -0.900) 10.396 9.767 ( -11.662 5.875 1.804) 13.182 9.842 ( -8.865 0.591 -5.859) 10.642 9.992 ( 3.122 3.907 1.053) 5.110 10.045 ( 3.928 -0.953 -4.301) 5.903 10.229 ( 4.425 2.184 2.674) 5.612 10.274 ( 3.149 -2.127 -1.217) 3.990 10.340 ( 7.656 3.533 2.303) 8.741 10.393 ( 7.332 0.084 -1.698) 7.527 10.521 ( 0.011 -1.884 1.161) 2.213 10.536 ( 1.922 -2.903 -0.262) 3.492 10.768 ( -0.763 -2.743 2.289) 3.653 10.788 ( 1.407 -2.374 -0.084) 2.761 10.814 ( 4.330 -6.054 2.108) 7.736 10.844 ( 4.590 -6.543 -0.560) 8.012 11.098 ( 5.725 0.484 4.246) 7.144 11.149 ( 5.841 -4.312 -0.537) 7.280 11.451 ( -1.008 5.997 2.187) 6.462 11.512 ( -1.096 0.642 -3.458) 3.684 11.879 ( 6.229 4.799 1.696) 8.044 11.920 ( 6.046 3.613 -1.699) 7.246 11.952 ( 4.646 -2.174 0.592) 5.164 11.981 ( 5.901 -2.161 -1.770) 6.529 12.234 ( 1.982 -0.448 1.830) 2.734 12.254 ( 1.467 -1.941 0.221) 2.443 12.436 ( 6.024 8.433 2.913) 10.765 12.455 ( 6.015 7.205 0.448) 9.396 12.524 ( 2.915 1.184 0.785) 3.243 12.557 ( 1.670 -0.104 -2.139) 2.716 12.946 ( -2.837 -2.159 8.031) 8.787 13.021 ( -2.316 -8.078 0.001) 8.404 13.603 ( 3.505 7.405 -3.435) 8.884 13.637 ( 4.259 4.466 -7.619) 9.804 14.079 ( 8.822 -3.329 -3.338) 10.002 14.082 ( 7.926 -3.411 -2.983) 9.130 14.399 ( -4.708 -1.776 1.339) 5.207 14.419 ( -4.919 -3.957 -0.800) 6.363 14.636 ( 2.448 3.378 2.545) 4.887 14.670 ( 1.131 0.439 -0.280) 1.246 14.998 ( 6.391 3.494 4.855) 8.754 15.085 ( 4.361 -4.607 -3.648) 7.318 15.511 ( -3.977 -2.912 5.434) 7.336 15.561 ( -2.590 -7.703 0.068) 8.127 16.384 ( -0.718 5.219 1.065) 5.374 16.401 ( -0.333 2.653 -0.461) 2.713 16.506 ( -0.243 -7.414 1.618) 7.593 16.539 ( -0.815 -9.998 -1.485) 10.141 17.722 ( -1.988 0.413 0.605) 2.119 17.740 ( -2.335 -1.315 -1.173) 2.925 17.969 ( -4.086 3.958 1.608) 5.912 18.001 ( -5.063 1.080 -1.817) 5.487 18.429 ( 1.180 -0.830 4.024) 4.275 18.448 ( 0.291 -2.618 2.929) 3.939 18.636 ( -4.135 0.455 -1.864) 4.559 18.652 ( -4.193 -1.210 -2.627) 5.094 18.912 ( -1.246 5.785 3.048) 6.656 18.972 ( -1.864 5.594 -2.485) 6.399 19.025 ( 0.179 -4.575 2.988) 5.468 19.097 ( 0.928 -5.808 -3.328) 6.758 19.383 ( -4.522 1.719 -1.137) 4.970 19.392 ( -4.211 0.493 -1.858) 4.629 19.603 ( -3.537 1.521 3.304) 5.073 19.650 ( -2.858 -2.987 -1.368) 4.354 20.153 ( 1.633 2.027 -0.047) 2.604 20.161 ( 3.012 1.216 -0.039) 3.248 20.209 ( -0.072 2.860 -1.942) 3.458 20.229 ( -0.770 0.714 -3.379) 3.538 20.525 ( -0.219 0.977 2.424) 2.622 20.544 ( -1.380 -1.086 1.169) 2.109 20.720 ( 0.977 0.697 0.296) 1.236 20.746 ( 0.666 -1.943 -2.022) 2.882 21.098 ( 4.003 3.136 7.411) 8.988 21.118 ( 2.730 0.621 4.301) 5.132 21.188 ( 1.524 3.390 -2.452) 4.452 21.239 ( 2.453 -1.314 -6.035) 6.646 22.396 ( 2.096 21.053 10.498) 23.619 22.613 ( 0.012 14.932 -11.372) 18.769 22.810 ( 3.211 -20.496 5.456) 21.452 22.930 ( 1.106 -16.697 -6.674) 18.016 102.858 ( 0.943 0.843 0.260) 1.292 102.864 ( 0.832 0.302 -0.292) 0.932 103.000 ( -0.986 1.273 0.077) 1.612 103.004 ( -1.117 1.044 -0.302) 1.559 103.096 ( 0.208 0.111 0.229) 0.328 103.100 ( 0.239 0.226 -0.125) 0.352 103.121 ( -0.384 -1.112 0.764) 1.403 103.136 ( -0.570 -2.093 -0.791) 2.309 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 10.117 0.835 3.402) 10.706 2.293 ( 8.108 -3.560 -0.563) 8.873 2.509 ( 7.052 3.235 7.654) 10.899 2.576 ( 5.173 -2.862 2.747) 6.519 2.934 ( 6.420 9.991 0.050) 11.876 3.006 ( 6.465 11.170 -8.333) 15.362 3.056 ( -0.696 -2.051 2.301) 3.160 3.145 ( -5.147 -0.434 -4.341) 6.748 3.264 ( 3.136 0.609 5.681) 6.517 3.342 ( 9.226 -5.237 -0.845) 10.642 3.424 ( -1.927 -2.475 -3.301) 4.553 3.470 ( 0.992 -5.315 -5.152) 7.469 3.970 ( 5.771 7.934 8.687) 13.104 4.085 ( 0.794 4.801 -1.043) 4.977 4.160 ( 9.163 -7.827 4.267) 12.784 4.193 ( 2.519 -3.652 2.391) 5.040 4.596 ( 5.784 4.280 1.240) 7.301 4.677 ( 4.449 -2.067 -6.060) 7.797 4.988 ( -2.662 8.865 0.786) 9.289 5.039 ( -3.721 4.593 -5.111) 7.814 5.255 ( -1.058 6.552 0.186) 6.639 5.279 ( -2.215 0.907 -2.828) 3.705 5.494 ( -1.373 -1.375 2.809) 3.415 5.560 ( -3.939 0.346 -3.412) 5.222 5.631 ( 5.448 3.754 4.288) 7.884 5.751 ( 8.024 6.718 -6.170) 12.148 5.806 ( 2.810 1.167 3.853) 4.909 5.846 ( 4.713 0.419 -0.603) 4.770 5.921 ( 6.971 -2.195 3.690) 8.187 5.994 ( 7.802 -5.970 -2.825) 10.222 6.246 ( 9.741 -2.596 2.745) 10.448 6.288 ( 7.616 -6.167 -1.689) 9.944 6.421 ( -3.274 0.282 -1.598) 3.654 6.455 ( -2.501 -2.352 -4.815) 5.913 6.689 ( 1.017 2.996 3.042) 4.389 6.703 ( 3.774 0.107 1.656) 4.123 6.975 ( -8.003 9.014 0.724) 12.075 7.039 ( -6.041 11.716 -5.623) 14.331 7.247 ( -11.331 -14.204 3.908) 18.585 7.350 ( -10.005 -15.468 -6.712) 19.606 7.452 ( -15.266 4.134 2.019) 15.944 7.462 ( -14.966 2.640 0.803) 15.219 7.942 ( -8.946 1.864 3.236) 9.694 7.966 ( -7.415 -3.305 1.115) 8.194 8.016 ( 3.465 0.259 2.072) 4.045 8.066 ( 1.129 -0.775 -2.208) 2.598 8.180 ( -3.802 1.408 -0.954) 4.165 8.242 ( -3.666 -3.676 -4.793) 7.066 8.528 ( -0.211 5.507 7.410) 9.234 8.608 ( 4.893 2.792 0.784) 5.688 8.679 ( -1.761 -4.811 3.279) 6.082 8.744 ( 1.574 -6.772 -1.375) 7.087 8.853 ( -5.611 2.918 0.595) 6.352 8.874 ( -7.091 1.137 -2.204) 7.512 9.064 ( -4.162 -1.441 -2.622) 5.126 9.086 ( -4.561 -3.851 -4.975) 7.771 9.318 ( -10.801 5.095 5.743) 13.251 9.387 ( -11.078 -0.548 -1.047) 11.141 9.518 ( -11.961 6.470 2.387) 13.806 9.623 ( -11.663 -1.723 -7.551) 14.001 10.069 ( 4.469 3.661 1.212) 5.902 10.128 ( 4.255 -1.788 -4.391) 6.371 10.294 ( 0.900 -1.219 1.700) 2.277 10.324 ( 1.719 -2.571 -1.615) 3.489 10.464 ( 2.542 3.365 1.575) 4.501 10.491 ( 1.312 3.053 -0.677) 3.391 10.579 ( 4.522 -3.832 0.769) 5.977 10.600 ( 5.266 -3.050 -1.015) 6.169 10.758 ( 1.849 2.915 4.982) 6.061 10.819 ( 1.737 -1.978 -0.892) 2.780 10.917 ( 4.306 -5.719 1.266) 7.270 10.950 ( 4.391 -7.646 -2.356) 9.127 11.178 ( 1.914 0.261 4.940) 5.304 11.215 ( 0.719 -2.917 3.128) 4.337 11.380 ( -4.408 3.575 -1.946) 6.000 11.429 ( -5.316 -0.107 -5.077) 7.352 11.946 ( 0.779 4.793 1.631) 5.122 11.978 ( 0.242 4.176 -1.576) 4.470 12.015 ( 0.699 -2.523 1.379) 2.959 12.047 ( 0.113 -2.980 -1.847) 3.508 12.292 ( 2.937 2.155 2.943) 4.683 12.314 ( 4.502 0.203 0.973) 4.611 12.515 ( -3.172 2.385 0.608) 4.015 12.534 ( -2.199 0.803 -0.983) 2.539 12.611 ( 8.937 6.747 1.738) 11.332 12.636 ( 8.666 5.901 -0.454) 10.494 12.918 ( 0.095 -1.381 5.584) 5.753 12.983 ( -1.011 -6.033 -1.267) 6.247 13.726 ( 7.841 8.337 -0.985) 11.487 13.775 ( 8.429 3.834 -6.425) 11.271 14.207 ( 0.225 -4.483 0.224) 4.494 14.226 ( 1.303 -7.196 -1.942) 7.566 14.341 ( 2.646 1.200 1.752) 3.392 14.379 ( 4.420 -2.796 -2.426) 5.765 14.676 ( -1.029 -0.795 2.044) 2.423 14.681 ( 1.157 -1.163 0.865) 1.855 15.145 ( 7.013 8.650 1.635) 11.255 15.186 ( 4.951 5.783 -2.134) 7.906 15.469 ( 0.536 -7.936 4.932) 9.359 15.539 ( 0.531 -12.920 -2.358) 13.144 16.362 ( -1.189 4.723 1.320) 5.046 16.386 ( -1.109 2.658 -0.935) 3.028 16.485 ( -1.862 -8.079 0.868) 8.337 16.506 ( -2.362 -10.113 -1.119) 10.445 17.695 ( -0.352 2.632 0.259) 2.668 17.709 ( -0.455 1.319 -1.187) 1.833 17.891 ( -3.287 0.668 0.610) 3.409 17.907 ( -3.984 -0.682 -1.074) 4.183 18.436 ( -1.496 -0.899 3.967) 4.333 18.450 ( 0.667 -2.332 3.175) 3.996 18.526 ( -5.802 0.591 -0.567) 5.860 18.563 ( -3.835 -2.979 -2.962) 5.689 18.903 ( 0.603 6.805 2.685) 7.341 18.959 ( 0.454 5.596 -2.159) 6.015 19.044 ( 2.038 -0.533 3.061) 3.716 19.129 ( 2.235 -4.510 -4.349) 6.652 19.259 ( -6.884 2.783 -1.705) 7.619 19.276 ( -6.467 0.866 -3.027) 7.192 19.473 ( -7.940 -0.336 2.125) 8.226 19.520 ( -8.133 -4.037 -2.592) 9.443 20.170 ( 0.302 2.152 3.071) 3.762 20.188 ( 0.254 0.196 3.336) 3.351 20.253 ( 2.521 2.109 -0.787) 3.379 20.281 ( 2.913 -1.000 -1.606) 3.474 20.529 ( 1.585 0.122 0.734) 1.751 20.534 ( 1.801 -0.274 0.150) 1.828 20.745 ( 0.497 0.627 0.074) 0.803 20.767 ( 0.357 -1.527 -1.484) 2.159 21.136 ( 1.170 4.754 4.513) 6.658 21.171 ( 0.898 2.852 0.775) 3.088 21.235 ( 3.483 1.130 1.563) 3.982 21.297 ( 2.340 -3.251 -3.726) 5.471 22.438 ( 2.005 22.699 6.582) 23.719 22.589 ( -2.093 17.365 -8.509) 19.451 22.882 ( 3.373 -21.790 2.829) 22.230 22.953 ( 0.972 -18.827 -4.381) 19.354 102.881 ( 1.265 0.839 0.126) 1.523 102.884 ( 1.145 0.550 -0.169) 1.281 102.974 ( -1.506 1.311 0.064) 1.997 102.976 ( -1.474 1.043 -0.204) 1.817 103.102 ( 0.313 -0.074 0.200) 0.379 103.105 ( 0.259 0.020 -0.133) 0.292 103.117 ( -0.090 -1.397 0.486) 1.482 103.126 ( -0.429 -1.855 -0.447) 1.956 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 8.341 1.022 2.933) 8.901 2.462 ( 7.264 -0.644 1.544) 7.454 2.584 ( -0.765 -2.325 4.065) 4.745 2.607 ( -2.737 -4.031 2.368) 5.417 2.996 ( 1.988 6.609 1.009) 6.975 3.033 ( 1.291 3.052 -2.230) 3.994 3.044 ( -2.090 5.009 -0.131) 5.429 3.082 ( -2.098 2.277 -4.200) 5.218 3.353 ( 4.562 0.527 2.703) 5.329 3.410 ( 0.945 -4.325 -1.198) 4.586 3.441 ( -0.655 -2.599 -2.663) 3.779 3.464 ( -1.694 -5.568 -5.319) 7.885 4.072 ( 6.053 6.985 6.184) 11.120 4.144 ( 4.320 1.523 -0.570) 4.616 4.187 ( -2.279 3.721 4.340) 6.154 4.234 ( -1.942 -0.211 -0.297) 1.976 4.735 ( 5.570 6.696 2.818) 9.154 4.790 ( 2.123 5.966 -1.376) 6.481 4.926 ( -1.428 0.130 -3.083) 3.400 4.963 ( -3.439 1.051 -5.804) 6.827 5.266 ( 3.154 2.433 0.846) 4.072 5.303 ( 1.977 -2.391 -2.514) 3.994 5.430 ( -2.702 -5.176 0.265) 5.845 5.462 ( -4.194 -7.513 -2.989) 9.109 5.772 ( 7.574 9.040 5.961) 13.214 5.869 ( 1.837 8.659 -2.937) 9.326 5.890 ( 4.389 -0.409 3.840) 5.846 5.932 ( 0.873 -0.094 -0.189) 0.898 6.085 ( 8.301 1.052 3.432) 9.044 6.140 ( 6.438 -2.476 -0.879) 6.954 6.254 ( -5.862 0.422 2.892) 6.550 6.305 ( -6.688 -2.206 -1.602) 7.223 6.442 ( 7.933 -0.893 -1.104) 8.060 6.483 ( 4.950 -1.537 -4.475) 6.847 6.633 ( -8.645 8.418 1.514) 12.161 6.688 ( -13.360 2.188 -4.318) 14.210 6.911 ( 8.267 -2.305 1.620) 8.734 6.964 ( 3.603 -5.159 -4.262) 7.600 7.119 ( -8.972 -6.344 0.091) 10.989 7.139 ( -10.631 -5.197 -1.957) 11.994 7.341 ( 9.636 0.954 3.487) 10.292 7.387 ( 9.192 -3.062 -1.426) 9.793 7.659 ( -15.618 -0.119 3.691) 16.048 7.698 ( -15.604 -3.406 -0.283) 15.974 8.067 ( 2.040 3.526 0.742) 4.140 8.090 ( 0.591 2.918 -1.190) 3.206 8.166 ( -0.393 -2.545 0.188) 2.582 8.196 ( -2.592 -3.973 -1.979) 5.140 8.567 ( 5.885 5.866 5.967) 10.230 8.666 ( 1.395 2.697 -1.835) 3.548 8.691 ( 0.983 -2.911 5.091) 5.947 8.747 ( -4.113 -1.495 0.718) 4.435 8.835 ( 3.175 4.366 -2.352) 5.888 8.871 ( 6.760 0.403 -1.555) 6.949 8.950 ( -7.103 0.905 -0.092) 7.161 9.012 ( -4.796 -4.269 -4.019) 7.575 9.171 ( -1.555 3.439 3.614) 5.226 9.218 ( -3.421 2.697 -1.117) 4.497 9.303 ( -6.336 -1.013 2.992) 7.080 9.386 ( -10.206 -4.781 -4.957) 12.312 10.166 ( 4.539 2.032 0.658) 5.017 10.212 ( 2.951 -0.978 -3.373) 4.587 10.268 ( -1.865 -2.784 -0.032) 3.351 10.313 ( -2.963 -5.232 -4.186) 7.326 10.521 ( 3.991 3.671 1.055) 5.524 10.540 ( 3.851 2.230 -0.654) 4.498 10.603 ( -1.844 3.806 1.598) 4.522 10.635 ( -3.025 1.965 -1.317) 3.840 10.852 ( 5.500 -1.632 4.524) 7.306 10.888 ( 4.255 -3.654 1.516) 5.810 10.950 ( -1.181 -5.154 4.278) 6.801 10.982 ( -1.549 -7.374 2.147) 7.835 11.220 ( 3.448 -0.017 0.057) 3.449 11.236 ( 2.390 -0.659 -0.409) 2.513 11.295 ( -3.738 1.117 -4.635) 6.058 11.325 ( -4.875 -1.033 -5.888) 7.714 11.948 ( 0.083 4.188 1.650) 4.502 11.962 ( -1.129 3.907 0.390) 4.086 12.013 ( -0.048 -2.867 1.068) 3.060 12.027 ( -1.223 -3.042 -0.083) 3.280 12.352 ( 2.862 3.809 2.307) 5.294 12.391 ( 2.501 0.588 -1.191) 2.832 12.430 ( -3.400 2.404 0.980) 4.277 12.466 ( -3.570 -0.641 -2.397) 4.347 12.766 ( 5.041 8.635 2.214) 10.241 12.784 ( 3.973 8.677 0.454) 9.554 12.931 ( 1.051 -3.254 3.558) 4.935 12.963 ( -1.413 -4.605 0.229) 4.823 13.895 ( 7.398 8.946 0.330) 11.614 13.938 ( 5.275 6.224 -4.014) 9.093 14.133 ( -3.684 -4.609 0.925) 5.972 14.161 ( -4.562 -6.160 -1.853) 7.886 14.480 ( 7.454 0.646 2.618) 7.927 14.533 ( 7.236 -4.321 -2.687) 8.846 14.617 ( -4.410 -0.459 2.716) 5.199 14.659 ( -3.518 -4.447 -1.601) 5.892 15.256 ( 3.197 11.173 0.769) 11.647 15.266 ( 2.149 11.759 -0.137) 11.955 15.522 ( 3.363 -14.027 1.905) 14.550 15.559 ( 0.241 -15.692 -1.672) 15.782 16.345 ( -0.139 2.809 0.607) 2.878 16.359 ( -1.253 1.769 -0.792) 2.308 16.444 ( -1.336 -7.441 0.369) 7.569 16.453 ( -2.090 -8.403 -0.517) 8.675 17.709 ( 1.364 5.126 -0.359) 5.316 17.717 ( 0.790 4.543 -1.230) 4.773 17.834 ( -1.984 -3.085 0.205) 3.674 17.837 ( -2.430 -3.263 -0.128) 4.070 18.402 ( -0.858 1.439 1.834) 2.484 18.424 ( -3.055 1.756 -0.379) 3.544 18.468 ( 0.837 -4.689 2.462) 5.362 18.501 ( -2.294 -5.507 -0.551) 5.991 18.943 ( 3.041 8.590 1.541) 9.242 18.981 ( 0.788 8.028 -1.859) 8.278 19.094 ( 0.639 0.376 3.289) 3.372 19.134 ( -3.623 0.257 -0.349) 3.648 19.160 ( -1.692 2.607 -3.600) 4.756 19.184 ( 1.288 3.555 -5.094) 6.344 19.324 ( -4.511 -5.591 0.486) 7.200 19.363 ( -6.217 -6.377 -3.199) 9.464 20.193 ( 1.840 1.666 3.575) 4.352 20.209 ( 1.487 0.477 2.900) 3.294 20.254 ( -1.413 -0.255 3.767) 4.032 20.277 ( -2.355 -2.226 2.361) 4.009 20.613 ( 5.509 1.134 -0.394) 5.638 20.627 ( 5.838 -0.199 -1.754) 6.099 20.715 ( -3.489 0.843 -0.042) 3.589 20.734 ( -3.649 -1.002 -1.443) 4.050 21.165 ( 1.330 7.263 1.857) 7.614 21.179 ( -0.002 7.181 0.350) 7.189 21.296 ( 2.121 -5.057 0.886) 5.554 21.320 ( -0.095 -6.009 -1.300) 6.149 22.484 ( 2.416 23.599 1.399) 23.764 22.537 ( -2.673 21.447 -3.938) 21.968 22.940 ( 1.998 -22.338 0.341) 22.430 22.962 ( -0.222 -21.225 -1.982) 21.318 102.910 ( 1.416 0.959 0.050) 1.711 102.911 ( 1.443 0.800 -0.113) 1.654 102.941 ( -1.541 1.109 0.104) 1.902 102.944 ( -1.584 0.836 -0.175) 1.799 103.108 ( 0.289 -0.469 0.089) 0.558 103.110 ( 0.163 -0.450 -0.044) 0.481 103.115 ( -0.037 -1.164 0.167) 1.176 103.118 ( -0.307 -1.293 -0.115) 1.334 =================== 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 3/45360 10.0 196.999 200.397 169.793 0.000 0.000 -0.000 3/45360 20.0 24.031 19.389 20.317 0.000 0.000 -0.000 3/45360 30.0 9.085 6.978 7.497 0.000 0.000 0.000 3/45360 40.0 4.849 3.711 3.979 0.000 0.000 0.000 3/45360 50.0 3.093 2.401 2.536 0.000 0.000 0.000 3/45360 60.0 2.206 1.745 1.805 0.000 0.000 0.000 3/45360 70.0 1.698 1.367 1.382 0.000 0.000 0.000 3/45360 80.0 1.378 1.126 1.112 0.000 0.000 0.000 3/45360 90.0 1.163 0.961 0.929 0.000 0.000 0.000 3/45360 100.0 1.010 0.842 0.798 0.000 0.000 0.000 3/45360 110.0 0.896 0.752 0.700 0.000 0.000 0.000 3/45360 120.0 0.808 0.682 0.624 0.000 0.000 0.000 3/45360 130.0 0.738 0.627 0.564 0.000 0.000 0.000 3/45360 140.0 0.681 0.581 0.515 0.000 0.000 0.000 3/45360 150.0 0.634 0.543 0.475 0.000 0.000 0.000 3/45360 160.0 0.593 0.510 0.441 0.000 0.000 0.000 3/45360 170.0 0.558 0.483 0.412 0.000 0.000 0.000 3/45360 180.0 0.527 0.458 0.387 0.000 0.000 0.000 3/45360 190.0 0.500 0.437 0.365 0.000 0.000 0.000 3/45360 200.0 0.476 0.417 0.346 0.000 0.000 0.000 3/45360 210.0 0.455 0.400 0.329 0.000 0.000 0.000 3/45360 220.0 0.435 0.385 0.314 0.000 0.000 0.000 3/45360 230.0 0.417 0.370 0.300 0.000 0.000 0.000 3/45360 240.0 0.401 0.357 0.287 0.000 0.000 0.000 3/45360 250.0 0.386 0.345 0.276 0.000 0.000 0.000 3/45360 260.0 0.372 0.334 0.265 0.000 0.000 0.000 3/45360 270.0 0.359 0.324 0.256 0.000 0.000 0.000 3/45360 280.0 0.347 0.314 0.247 0.000 0.000 0.000 3/45360 290.0 0.336 0.305 0.238 0.000 0.000 0.000 3/45360 300.0 0.326 0.296 0.231 0.000 0.000 0.000 3/45360 310.0 0.316 0.288 0.224 0.000 0.000 0.000 3/45360 320.0 0.307 0.280 0.217 0.000 0.000 0.000 3/45360 330.0 0.298 0.273 0.210 0.000 0.000 0.000 3/45360 340.0 0.290 0.266 0.204 0.000 0.000 0.000 3/45360 350.0 0.282 0.260 0.199 0.000 0.000 0.000 3/45360 360.0 0.275 0.254 0.194 0.000 0.000 0.000 3/45360 370.0 0.268 0.248 0.189 0.000 0.000 0.000 3/45360 380.0 0.261 0.242 0.184 0.000 0.000 0.000 3/45360 390.0 0.255 0.237 0.179 0.000 0.000 0.000 3/45360 400.0 0.249 0.232 0.175 0.000 0.000 0.000 3/45360 410.0 0.243 0.227 0.171 0.000 0.000 0.000 3/45360 420.0 0.237 0.222 0.167 0.000 0.000 0.000 3/45360 430.0 0.232 0.217 0.163 0.000 0.000 0.000 3/45360 440.0 0.227 0.213 0.160 0.000 0.000 0.000 3/45360 450.0 0.222 0.209 0.156 0.000 0.000 0.000 3/45360 460.0 0.218 0.205 0.153 0.000 0.000 0.000 3/45360 470.0 0.213 0.201 0.150 0.000 0.000 0.000 3/45360 480.0 0.209 0.197 0.147 0.000 0.000 0.000 3/45360 490.0 0.205 0.194 0.144 0.000 0.000 0.000 3/45360 500.0 0.201 0.190 0.141 0.000 0.000 0.000 3/45360 510.0 0.197 0.187 0.138 0.000 0.000 0.000 3/45360 520.0 0.194 0.183 0.136 0.000 0.000 0.000 3/45360 530.0 0.190 0.180 0.133 0.000 0.000 0.000 3/45360 540.0 0.187 0.177 0.131 0.000 0.000 0.000 3/45360 550.0 0.184 0.174 0.129 0.000 0.000 0.000 3/45360 560.0 0.180 0.171 0.127 0.000 0.000 0.000 3/45360 570.0 0.177 0.169 0.124 0.000 0.000 0.000 3/45360 580.0 0.174 0.166 0.122 0.000 0.000 0.000 3/45360 590.0 0.172 0.163 0.120 0.000 0.000 0.000 3/45360 600.0 0.169 0.161 0.118 0.000 0.000 0.000 3/45360 610.0 0.166 0.158 0.116 0.000 0.000 0.000 3/45360 620.0 0.164 0.156 0.115 0.000 0.000 0.000 3/45360 630.0 0.161 0.154 0.113 0.000 0.000 0.000 3/45360 640.0 0.159 0.152 0.111 0.000 0.000 0.000 3/45360 650.0 0.156 0.149 0.109 0.000 0.000 0.000 3/45360 660.0 0.154 0.147 0.108 0.000 0.000 0.000 3/45360 670.0 0.152 0.145 0.106 0.000 0.000 0.000 3/45360 680.0 0.150 0.143 0.105 0.000 0.000 0.000 3/45360 690.0 0.147 0.141 0.103 0.000 0.000 0.000 3/45360 700.0 0.145 0.139 0.102 0.000 0.000 0.000 3/45360 710.0 0.143 0.138 0.100 0.000 0.000 0.000 3/45360 720.0 0.141 0.136 0.099 0.000 0.000 0.000 3/45360 730.0 0.140 0.134 0.098 0.000 0.000 0.000 3/45360 740.0 0.138 0.132 0.096 0.000 0.000 0.000 3/45360 750.0 0.136 0.131 0.095 0.000 0.000 0.000 3/45360 760.0 0.134 0.129 0.094 0.000 0.000 0.000 3/45360 770.0 0.132 0.127 0.093 0.000 0.000 0.000 3/45360 780.0 0.131 0.126 0.092 0.000 0.000 0.000 3/45360 790.0 0.129 0.124 0.091 0.000 0.000 0.000 3/45360 800.0 0.128 0.123 0.089 0.000 0.000 0.000 3/45360 810.0 0.126 0.121 0.088 0.000 0.000 0.000 3/45360 820.0 0.125 0.120 0.087 0.000 0.000 0.000 3/45360 830.0 0.123 0.119 0.086 0.000 0.000 0.000 3/45360 840.0 0.122 0.117 0.085 0.000 0.000 0.000 3/45360 850.0 0.120 0.116 0.084 0.000 0.000 0.000 3/45360 860.0 0.119 0.115 0.083 0.000 0.000 0.000 3/45360 870.0 0.118 0.113 0.082 0.000 0.000 0.000 3/45360 880.0 0.116 0.112 0.081 0.000 0.000 0.000 3/45360 890.0 0.115 0.111 0.081 0.000 0.000 0.000 3/45360 900.0 0.114 0.110 0.080 0.000 0.000 0.000 3/45360 910.0 0.113 0.109 0.079 0.000 0.000 0.000 3/45360 920.0 0.111 0.108 0.078 0.000 0.000 0.000 3/45360 930.0 0.110 0.106 0.077 0.000 0.000 0.000 3/45360 940.0 0.109 0.105 0.076 0.000 0.000 0.000 3/45360 950.0 0.108 0.104 0.076 0.000 0.000 0.000 3/45360 960.0 0.107 0.103 0.075 0.000 0.000 0.000 3/45360 970.0 0.106 0.102 0.074 0.000 0.000 0.000 3/45360 980.0 0.105 0.101 0.073 0.000 0.000 0.000 3/45360 990.0 0.104 0.100 0.073 0.000 0.000 0.000 3/45360 1000.0 0.103 0.099 0.072 0.000 0.000 0.000 3/45360 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:03:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|