----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:21:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.713088683257026 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -3.499300223816336 0.000000000000000 8.721762850603994 Atomic positions (fractional): *1 Rb 0.25989414148138 0.29081150389588 0.18750025402991 85.468 2 Rb 0.74010585851862 0.79081150389588 0.31249974597009 85.468 3 Rb 0.74010585851862 0.70918849610412 0.81249974597009 85.468 4 Rb 0.25989414148138 0.20918849610412 0.68750025402991 85.468 *5 Rb 0.76423566756039 0.02471763433568 0.62446673526136 85.468 6 Rb 0.23576433243961 0.52471763433568 0.87553326473864 85.468 7 Rb 0.23576433243961 0.97528236566432 0.37553326473864 85.468 8 Rb 0.76423566756039 0.47528236566432 0.12446673526136 85.468 *9 Rb 0.74600685231079 0.46368394577723 0.50550217169748 85.468 10 Rb 0.25399314768921 0.96368394577723 0.99449782830252 85.468 11 Rb 0.25399314768921 0.53631605422277 0.49449782830252 85.468 12 Rb 0.74600685231079 0.03631605422277 0.00550217169748 85.468 *13 Cu 0.79139202387114 0.32090626087401 0.82710225340201 63.546 14 Cu 0.20860797612886 0.82090626087401 0.67289774659799 63.546 15 Cu 0.20860797612886 0.67909373912599 0.17289774659799 63.546 16 Cu 0.79139202387114 0.17909373912599 0.32710225340201 63.546 *17 O 0.43154161212241 0.93849073791671 0.72302918629994 15.999 18 O 0.56845838787759 0.43849073791671 0.77697081370006 15.999 19 O 0.56845838787759 0.06150926208329 0.27697081370006 15.999 20 O 0.43154161212241 0.56150926208329 0.22302918629994 15.999 *21 O 0.00954524792776 0.30034355064356 0.37905730261787 15.999 22 O 0.99045475207224 0.80034355064356 0.12094269738214 15.999 23 O 0.99045475207224 0.69965644935644 0.62094269738214 15.999 24 O 0.00954524792776 0.19965644935644 0.87905730261786 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.713088683257026 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -3.499300223816336 0.000000000000000 8.721762850603994 Atomic positions (fractional): *1 Rb 0.25989414148138 0.29081150389588 0.18750025402991 85.468 > 1 2 Rb 0.74010585851862 0.79081150389588 0.31249974597009 85.468 > 2 3 Rb 0.74010585851862 0.70918849610412 0.81249974597009 85.468 > 3 4 Rb 0.25989414148138 0.20918849610412 0.68750025402991 85.468 > 4 *5 Rb 0.76423566756039 0.02471763433568 0.62446673526136 85.468 > 5 6 Rb 0.23576433243961 0.52471763433568 0.87553326473864 85.468 > 6 7 Rb 0.23576433243961 0.97528236566432 0.37553326473864 85.468 > 7 8 Rb 0.76423566756039 0.47528236566432 0.12446673526136 85.468 > 8 *9 Rb 0.74600685231079 0.46368394577723 0.50550217169748 85.468 > 9 10 Rb 0.25399314768921 0.96368394577723 0.99449782830252 85.468 > 10 11 Rb 0.25399314768921 0.53631605422277 0.49449782830252 85.468 > 11 12 Rb 0.74600685231079 0.03631605422277 0.00550217169748 85.468 > 12 *13 Cu 0.79139202387114 0.32090626087401 0.82710225340201 63.546 > 13 14 Cu 0.20860797612886 0.82090626087401 0.67289774659799 63.546 > 14 15 Cu 0.20860797612886 0.67909373912599 0.17289774659799 63.546 > 15 16 Cu 0.79139202387114 0.17909373912599 0.32710225340201 63.546 > 16 *17 O 0.43154161212241 0.93849073791671 0.72302918629994 15.999 > 17 18 O 0.56845838787759 0.43849073791671 0.77697081370006 15.999 > 18 19 O 0.56845838787759 0.06150926208329 0.27697081370006 15.999 > 19 20 O 0.43154161212241 0.56150926208329 0.22302918629994 15.999 > 20 *21 O 0.00954524792776 0.30034355064356 0.37905730261787 15.999 > 21 22 O 0.99045475207224 0.80034355064356 0.12094269738214 15.999 > 22 23 O 0.99045475207224 0.69965644935644 0.62094269738214 15.999 > 23 24 O 0.00954524792776 0.19965644935644 0.87905730261786 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.426177366514052 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -6.998600447632672 0.000000000000000 17.443525701207989 Atomic positions (fractional): *1 Rb 0.12994707074069 0.29081150389588 0.09375012701495 85.468 > 1 2 Rb 0.62994707074069 0.29081150389588 0.09375012701495 85.468 > 1 3 Rb 0.12994707074069 0.29081150389588 0.59375012701495 85.468 > 1 4 Rb 0.62994707074069 0.29081150389588 0.59375012701495 85.468 > 1 5 Rb 0.37005292925931 0.79081150389588 0.15624987298505 85.468 > 2 6 Rb 0.87005292925931 0.79081150389588 0.15624987298505 85.468 > 2 7 Rb 0.37005292925931 0.79081150389588 0.65624987298505 85.468 > 2 8 Rb 0.87005292925931 0.79081150389588 0.65624987298505 85.468 > 2 9 Rb 0.37005292925931 0.70918849610412 0.40624987298505 85.468 > 3 10 Rb 0.87005292925931 0.70918849610412 0.40624987298505 85.468 > 3 11 Rb 0.37005292925931 0.70918849610412 0.90624987298505 85.468 > 3 12 Rb 0.87005292925931 0.70918849610412 0.90624987298505 85.468 > 3 13 Rb 0.12994707074069 0.20918849610412 0.34375012701495 85.468 > 4 14 Rb 0.62994707074069 0.20918849610412 0.34375012701495 85.468 > 4 15 Rb 0.12994707074069 0.20918849610412 0.84375012701495 85.468 > 4 16 Rb 0.62994707074069 0.20918849610412 0.84375012701495 85.468 > 4 *17 Rb 0.38211783378020 0.02471763433568 0.31223336763068 85.468 > 5 18 Rb 0.88211783378020 0.02471763433568 0.31223336763068 85.468 > 5 19 Rb 0.38211783378020 0.02471763433568 0.81223336763068 85.468 > 5 20 Rb 0.88211783378020 0.02471763433568 0.81223336763068 85.468 > 5 21 Rb 0.11788216621980 0.52471763433568 0.43776663236932 85.468 > 6 22 Rb 0.61788216621980 0.52471763433568 0.43776663236932 85.468 > 6 23 Rb 0.11788216621980 0.52471763433568 0.93776663236932 85.468 > 6 24 Rb 0.61788216621980 0.52471763433568 0.93776663236932 85.468 > 6 25 Rb 0.11788216621980 0.97528236566432 0.18776663236932 85.468 > 7 26 Rb 0.61788216621980 0.97528236566432 0.18776663236932 85.468 > 7 27 Rb 0.11788216621980 0.97528236566432 0.68776663236932 85.468 > 7 28 Rb 0.61788216621980 0.97528236566432 0.68776663236932 85.468 > 7 29 Rb 0.38211783378020 0.47528236566432 0.06223336763068 85.468 > 8 30 Rb 0.88211783378020 0.47528236566432 0.06223336763068 85.468 > 8 31 Rb 0.38211783378020 0.47528236566432 0.56223336763068 85.468 > 8 32 Rb 0.88211783378020 0.47528236566432 0.56223336763068 85.468 > 8 *33 Rb 0.37300342615540 0.46368394577723 0.25275108584874 85.468 > 9 34 Rb 0.87300342615540 0.46368394577723 0.25275108584874 85.468 > 9 35 Rb 0.37300342615540 0.46368394577723 0.75275108584874 85.468 > 9 36 Rb 0.87300342615540 0.46368394577723 0.75275108584874 85.468 > 9 37 Rb 0.12699657384460 0.96368394577723 0.49724891415126 85.468 > 10 38 Rb 0.62699657384460 0.96368394577723 0.49724891415126 85.468 > 10 39 Rb 0.12699657384460 0.96368394577723 0.99724891415126 85.468 > 10 40 Rb 0.62699657384460 0.96368394577723 0.99724891415126 85.468 > 10 41 Rb 0.12699657384460 0.53631605422277 0.24724891415126 85.468 > 11 42 Rb 0.62699657384460 0.53631605422277 0.24724891415126 85.468 > 11 43 Rb 0.12699657384460 0.53631605422277 0.74724891415126 85.468 > 11 44 Rb 0.62699657384460 0.53631605422277 0.74724891415126 85.468 > 11 45 Rb 0.37300342615540 0.03631605422277 0.00275108584874 85.468 > 12 46 Rb 0.87300342615540 0.03631605422277 0.00275108584874 85.468 > 12 47 Rb 0.37300342615540 0.03631605422277 0.50275108584874 85.468 > 12 48 Rb 0.87300342615540 0.03631605422277 0.50275108584874 85.468 > 12 *49 Cu 0.39569601193557 0.32090626087401 0.41355112670101 63.546 > 13 50 Cu 0.89569601193557 0.32090626087401 0.41355112670101 63.546 > 13 51 Cu 0.39569601193557 0.32090626087401 0.91355112670101 63.546 > 13 52 Cu 0.89569601193557 0.32090626087401 0.91355112670101 63.546 > 13 53 Cu 0.10430398806443 0.82090626087401 0.33644887329899 63.546 > 14 54 Cu 0.60430398806443 0.82090626087401 0.33644887329899 63.546 > 14 55 Cu 0.10430398806443 0.82090626087401 0.83644887329899 63.546 > 14 56 Cu 0.60430398806443 0.82090626087401 0.83644887329899 63.546 > 14 57 Cu 0.10430398806443 0.67909373912599 0.08644887329899 63.546 > 15 58 Cu 0.60430398806443 0.67909373912599 0.08644887329899 63.546 > 15 59 Cu 0.10430398806443 0.67909373912599 0.58644887329899 63.546 > 15 60 Cu 0.60430398806443 0.67909373912599 0.58644887329899 63.546 > 15 61 Cu 0.39569601193557 0.17909373912599 0.16355112670101 63.546 > 16 62 Cu 0.89569601193557 0.17909373912599 0.16355112670101 63.546 > 16 63 Cu 0.39569601193557 0.17909373912599 0.66355112670101 63.546 > 16 64 Cu 0.89569601193557 0.17909373912599 0.66355112670101 63.546 > 16 *65 O 0.21577080606120 0.93849073791671 0.36151459314997 15.999 > 17 66 O 0.71577080606120 0.93849073791671 0.36151459314997 15.999 > 17 67 O 0.21577080606120 0.93849073791671 0.86151459314997 15.999 > 17 68 O 0.71577080606120 0.93849073791671 0.86151459314997 15.999 > 17 69 O 0.28422919393880 0.43849073791671 0.38848540685003 15.999 > 18 70 O 0.78422919393880 0.43849073791671 0.38848540685003 15.999 > 18 71 O 0.28422919393880 0.43849073791671 0.88848540685003 15.999 > 18 72 O 0.78422919393880 0.43849073791671 0.88848540685003 15.999 > 18 73 O 0.28422919393880 0.06150926208329 0.13848540685003 15.999 > 19 74 O 0.78422919393880 0.06150926208329 0.13848540685003 15.999 > 19 75 O 0.28422919393880 0.06150926208329 0.63848540685003 15.999 > 19 76 O 0.78422919393880 0.06150926208329 0.63848540685003 15.999 > 19 77 O 0.21577080606120 0.56150926208329 0.11151459314997 15.999 > 20 78 O 0.71577080606120 0.56150926208329 0.11151459314997 15.999 > 20 79 O 0.21577080606120 0.56150926208329 0.61151459314997 15.999 > 20 80 O 0.71577080606120 0.56150926208329 0.61151459314997 15.999 > 20 *81 O 0.00477262396388 0.30034355064356 0.18952865130893 15.999 > 21 82 O 0.50477262396388 0.30034355064356 0.18952865130893 15.999 > 21 83 O 0.00477262396388 0.30034355064356 0.68952865130893 15.999 > 21 84 O 0.50477262396388 0.30034355064356 0.68952865130893 15.999 > 21 85 O 0.49522737603612 0.80034355064356 0.06047134869107 15.999 > 22 86 O 0.99522737603612 0.80034355064356 0.06047134869107 15.999 > 22 87 O 0.49522737603612 0.80034355064356 0.56047134869107 15.999 > 22 88 O 0.99522737603612 0.80034355064356 0.56047134869107 15.999 > 22 89 O 0.49522737603612 0.69965644935644 0.31047134869107 15.999 > 23 90 O 0.99522737603612 0.69965644935644 0.31047134869107 15.999 > 23 91 O 0.49522737603612 0.69965644935644 0.81047134869107 15.999 > 23 92 O 0.99522737603612 0.69965644935644 0.81047134869107 15.999 > 23 93 O 0.00477262396388 0.19965644935644 0.43952865130893 15.999 > 24 94 O 0.50477262396388 0.19965644935644 0.43952865130893 15.999 > 24 95 O 0.00477262396388 0.19965644935644 0.93952865130893 15.999 > 24 96 O 0.50477262396388 0.19965644935644 0.93952865130893 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5091947 0.0000000 0.0334773 0.0000000 3.5304632 0.0000000 0.0334721 0.0000000 3.4408513 -------------------------- Born effective charges -------------------------- 1 Rb 1.1758772 -0.0570355 0.0485436 0.0065376 1.1863448 0.0199902 0.0514755 0.0208399 1.0701839 2 Rb 1.1758772 0.0570355 0.0485436 -0.0065376 1.1863448 -0.0199902 0.0514755 -0.0208399 1.0701839 3 Rb 1.1758772 -0.0570355 0.0485436 0.0065376 1.1863448 0.0199902 0.0514755 0.0208399 1.0701839 4 Rb 1.1758772 0.0570355 0.0485436 -0.0065376 1.1863448 -0.0199902 0.0514755 -0.0208399 1.0701839 5 Rb 1.2021243 0.0070512 -0.1450746 0.1139288 1.0968617 0.0431918 -0.0600248 0.0771269 1.1893827 6 Rb 1.2021243 -0.0070512 -0.1450746 -0.1139288 1.0968617 -0.0431918 -0.0600248 -0.0771269 1.1893827 7 Rb 1.2021243 0.0070512 -0.1450746 0.1139288 1.0968617 0.0431918 -0.0600248 0.0771269 1.1893827 8 Rb 1.2021243 -0.0070512 -0.1450746 -0.1139288 1.0968617 -0.0431918 -0.0600248 -0.0771269 1.1893827 9 Rb 1.0436752 0.0627773 0.0833131 -0.0275886 1.2319840 0.0275854 -0.0025375 0.0950105 1.2532110 10 Rb 1.0436752 -0.0627773 0.0833131 0.0275886 1.2319840 -0.0275854 -0.0025375 -0.0950105 1.2532110 11 Rb 1.0436752 0.0627773 0.0833131 -0.0275886 1.2319840 0.0275854 -0.0025375 0.0950105 1.2532110 12 Rb 1.0436752 -0.0627773 0.0833131 0.0275886 1.2319840 -0.0275854 -0.0025375 -0.0950105 1.2532110 13 Cu 0.4616918 -1.1533443 0.4615118 -1.2549204 0.1935603 -0.4600771 0.4633184 -0.4252712 -0.7219350 14 Cu 0.4616918 1.1533443 0.4615118 1.2549204 0.1935603 0.4600771 0.4633184 0.4252712 -0.7219350 15 Cu 0.4616918 -1.1533443 0.4615118 -1.2549204 0.1935603 -0.4600771 0.4633184 -0.4252712 -0.7219350 16 Cu 0.4616918 1.1533443 0.4615118 1.2549204 0.1935603 0.4600771 0.4633184 0.4252712 -0.7219350 17 O -2.0523054 -0.5215616 -0.2595131 -0.6186151 -1.7925562 -0.2083085 -0.2705354 -0.1812716 -1.3918573 18 O -2.0523054 0.5215616 -0.2595131 0.6186151 -1.7925562 0.2083085 -0.2705354 0.1812716 -1.3918573 19 O -2.0523054 -0.5215616 -0.2595131 -0.6186151 -1.7925562 -0.2083085 -0.2705354 -0.1812716 -1.3918573 20 O -2.0523054 0.5215616 -0.2595131 0.6186151 -1.7925562 0.2083085 -0.2705354 0.1812716 -1.3918573 21 O -1.8310632 -0.6184449 -0.1887807 -0.5993080 -1.9161946 -0.1870609 -0.1816962 -0.2217182 -1.3989853 22 O -1.8310632 0.6184449 -0.1887807 0.5993080 -1.9161946 0.1870609 -0.1816962 0.2217182 -1.3989853 23 O -1.8310632 -0.6184449 -0.1887807 -0.5993080 -1.9161946 -0.1870609 -0.1816962 -0.2217182 -1.3989853 24 O -1.8310632 0.6184449 -0.1887807 0.5993080 -1.9161946 0.1870609 -0.1816962 0.2217182 -1.3989853 ---------------------------------------------------------------------------- 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: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.647 Solver_block: 200 / 720 - Time: 0.557 Solver_block: 300 / 720 - Time: 0.555 Solver_block: 400 / 720 - Time: 0.560 Solver_block: 500 / 720 - Time: 0.560 Solver_block: 600 / 720 - Time: 0.556 Solver_block: 700 / 720 - Time: 0.555 Solver_block: 720 / 720 - Time: 0.202 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.299 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xy) -0.00000000 (xy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:21:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:21:35]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.713088683257026 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -3.499300223816336 0.000000000000000 8.721762850603994 Atomic positions (fractional): 1 Rb 0.25989414148138 0.29081150389588 0.18750025402991 85.468 2 Rb 0.74010585851862 0.79081150389588 0.31249974597009 85.468 3 Rb 0.74010585851862 0.70918849610412 0.81249974597009 85.468 4 Rb 0.25989414148138 0.20918849610412 0.68750025402991 85.468 5 Rb 0.76423566756039 0.02471763433568 0.62446673526136 85.468 6 Rb 0.23576433243961 0.52471763433568 0.87553326473864 85.468 7 Rb 0.23576433243961 0.97528236566432 0.37553326473864 85.468 8 Rb 0.76423566756039 0.47528236566432 0.12446673526136 85.468 9 Rb 0.74600685231079 0.46368394577723 0.50550217169748 85.468 10 Rb 0.25399314768921 0.96368394577723 0.99449782830252 85.468 11 Rb 0.25399314768921 0.53631605422277 0.49449782830252 85.468 12 Rb 0.74600685231079 0.03631605422277 0.00550217169748 85.468 13 Cu 0.79139202387114 0.32090626087401 0.82710225340201 63.546 14 Cu 0.20860797612886 0.82090626087401 0.67289774659799 63.546 15 Cu 0.20860797612886 0.67909373912599 0.17289774659799 63.546 16 Cu 0.79139202387114 0.17909373912599 0.32710225340201 63.546 17 O 0.43154161212241 0.93849073791671 0.72302918629994 15.999 18 O 0.56845838787759 0.43849073791671 0.77697081370006 15.999 19 O 0.56845838787759 0.06150926208329 0.27697081370006 15.999 20 O 0.43154161212241 0.56150926208329 0.22302918629994 15.999 21 O 0.00954524792776 0.30034355064356 0.37905730261787 15.999 22 O 0.99045475207224 0.80034355064356 0.12094269738214 15.999 23 O 0.99045475207224 0.69965644935644 0.62094269738214 15.999 24 O 0.00954524792776 0.19965644935644 0.87905730261786 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.426177366514052 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -6.998600447632672 0.000000000000000 17.443525701207989 Atomic positions (fractional): 1 Rb 0.12994707074069 0.29081150389588 0.09375012701495 85.468 > 1 2 Rb 0.62994707074069 0.29081150389588 0.09375012701495 85.468 > 1 3 Rb 0.12994707074069 0.29081150389588 0.59375012701495 85.468 > 1 4 Rb 0.62994707074069 0.29081150389588 0.59375012701495 85.468 > 1 5 Rb 0.37005292925931 0.79081150389588 0.15624987298505 85.468 > 5 6 Rb 0.87005292925931 0.79081150389588 0.15624987298505 85.468 > 5 7 Rb 0.37005292925931 0.79081150389588 0.65624987298505 85.468 > 5 8 Rb 0.87005292925931 0.79081150389588 0.65624987298505 85.468 > 5 9 Rb 0.37005292925931 0.70918849610412 0.40624987298505 85.468 > 9 10 Rb 0.87005292925931 0.70918849610412 0.40624987298505 85.468 > 9 11 Rb 0.37005292925931 0.70918849610412 0.90624987298505 85.468 > 9 12 Rb 0.87005292925931 0.70918849610412 0.90624987298505 85.468 > 9 13 Rb 0.12994707074069 0.20918849610412 0.34375012701495 85.468 > 13 14 Rb 0.62994707074069 0.20918849610412 0.34375012701495 85.468 > 13 15 Rb 0.12994707074069 0.20918849610412 0.84375012701495 85.468 > 13 16 Rb 0.62994707074069 0.20918849610412 0.84375012701495 85.468 > 13 17 Rb 0.38211783378020 0.02471763433568 0.31223336763068 85.468 > 17 18 Rb 0.88211783378020 0.02471763433568 0.31223336763068 85.468 > 17 19 Rb 0.38211783378020 0.02471763433568 0.81223336763068 85.468 > 17 20 Rb 0.88211783378020 0.02471763433568 0.81223336763068 85.468 > 17 21 Rb 0.11788216621980 0.52471763433568 0.43776663236932 85.468 > 21 22 Rb 0.61788216621980 0.52471763433568 0.43776663236932 85.468 > 21 23 Rb 0.11788216621980 0.52471763433568 0.93776663236932 85.468 > 21 24 Rb 0.61788216621980 0.52471763433568 0.93776663236932 85.468 > 21 25 Rb 0.11788216621980 0.97528236566432 0.18776663236932 85.468 > 25 26 Rb 0.61788216621980 0.97528236566432 0.18776663236932 85.468 > 25 27 Rb 0.11788216621980 0.97528236566432 0.68776663236932 85.468 > 25 28 Rb 0.61788216621980 0.97528236566432 0.68776663236932 85.468 > 25 29 Rb 0.38211783378020 0.47528236566432 0.06223336763068 85.468 > 29 30 Rb 0.88211783378020 0.47528236566432 0.06223336763068 85.468 > 29 31 Rb 0.38211783378020 0.47528236566432 0.56223336763068 85.468 > 29 32 Rb 0.88211783378020 0.47528236566432 0.56223336763068 85.468 > 29 33 Rb 0.37300342615540 0.46368394577723 0.25275108584874 85.468 > 33 34 Rb 0.87300342615540 0.46368394577723 0.25275108584874 85.468 > 33 35 Rb 0.37300342615540 0.46368394577723 0.75275108584874 85.468 > 33 36 Rb 0.87300342615540 0.46368394577723 0.75275108584874 85.468 > 33 37 Rb 0.12699657384460 0.96368394577723 0.49724891415126 85.468 > 37 38 Rb 0.62699657384460 0.96368394577723 0.49724891415126 85.468 > 37 39 Rb 0.12699657384460 0.96368394577723 0.99724891415126 85.468 > 37 40 Rb 0.62699657384460 0.96368394577723 0.99724891415126 85.468 > 37 41 Rb 0.12699657384460 0.53631605422277 0.24724891415126 85.468 > 41 42 Rb 0.62699657384460 0.53631605422277 0.24724891415126 85.468 > 41 43 Rb 0.12699657384460 0.53631605422277 0.74724891415126 85.468 > 41 44 Rb 0.62699657384460 0.53631605422277 0.74724891415126 85.468 > 41 45 Rb 0.37300342615540 0.03631605422277 0.00275108584874 85.468 > 45 46 Rb 0.87300342615540 0.03631605422277 0.00275108584874 85.468 > 45 47 Rb 0.37300342615540 0.03631605422277 0.50275108584874 85.468 > 45 48 Rb 0.87300342615540 0.03631605422277 0.50275108584874 85.468 > 45 49 Cu 0.39569601193557 0.32090626087401 0.41355112670101 63.546 > 49 50 Cu 0.89569601193557 0.32090626087401 0.41355112670101 63.546 > 49 51 Cu 0.39569601193557 0.32090626087401 0.91355112670101 63.546 > 49 52 Cu 0.89569601193557 0.32090626087401 0.91355112670101 63.546 > 49 53 Cu 0.10430398806443 0.82090626087401 0.33644887329899 63.546 > 53 54 Cu 0.60430398806443 0.82090626087401 0.33644887329899 63.546 > 53 55 Cu 0.10430398806443 0.82090626087401 0.83644887329899 63.546 > 53 56 Cu 0.60430398806443 0.82090626087401 0.83644887329899 63.546 > 53 57 Cu 0.10430398806443 0.67909373912599 0.08644887329899 63.546 > 57 58 Cu 0.60430398806443 0.67909373912599 0.08644887329899 63.546 > 57 59 Cu 0.10430398806443 0.67909373912599 0.58644887329899 63.546 > 57 60 Cu 0.60430398806443 0.67909373912599 0.58644887329899 63.546 > 57 61 Cu 0.39569601193557 0.17909373912599 0.16355112670101 63.546 > 61 62 Cu 0.89569601193557 0.17909373912599 0.16355112670101 63.546 > 61 63 Cu 0.39569601193557 0.17909373912599 0.66355112670101 63.546 > 61 64 Cu 0.89569601193557 0.17909373912599 0.66355112670101 63.546 > 61 65 O 0.21577080606120 0.93849073791671 0.36151459314997 15.999 > 65 66 O 0.71577080606120 0.93849073791671 0.36151459314997 15.999 > 65 67 O 0.21577080606120 0.93849073791671 0.86151459314997 15.999 > 65 68 O 0.71577080606120 0.93849073791671 0.86151459314997 15.999 > 65 69 O 0.28422919393880 0.43849073791671 0.38848540685003 15.999 > 69 70 O 0.78422919393880 0.43849073791671 0.38848540685003 15.999 > 69 71 O 0.28422919393880 0.43849073791671 0.88848540685003 15.999 > 69 72 O 0.78422919393880 0.43849073791671 0.88848540685003 15.999 > 69 73 O 0.28422919393880 0.06150926208329 0.13848540685003 15.999 > 73 74 O 0.78422919393880 0.06150926208329 0.13848540685003 15.999 > 73 75 O 0.28422919393880 0.06150926208329 0.63848540685003 15.999 > 73 76 O 0.78422919393880 0.06150926208329 0.63848540685003 15.999 > 73 77 O 0.21577080606120 0.56150926208329 0.11151459314997 15.999 > 77 78 O 0.71577080606120 0.56150926208329 0.11151459314997 15.999 > 77 79 O 0.21577080606120 0.56150926208329 0.61151459314997 15.999 > 77 80 O 0.71577080606120 0.56150926208329 0.61151459314997 15.999 > 77 81 O 0.00477262396388 0.30034355064356 0.18952865130893 15.999 > 81 82 O 0.50477262396388 0.30034355064356 0.18952865130893 15.999 > 81 83 O 0.00477262396388 0.30034355064356 0.68952865130893 15.999 > 81 84 O 0.50477262396388 0.30034355064356 0.68952865130893 15.999 > 81 85 O 0.49522737603612 0.80034355064356 0.06047134869107 15.999 > 85 86 O 0.99522737603612 0.80034355064356 0.06047134869107 15.999 > 85 87 O 0.49522737603612 0.80034355064356 0.56047134869107 15.999 > 85 88 O 0.99522737603612 0.80034355064356 0.56047134869107 15.999 > 85 89 O 0.49522737603612 0.69965644935644 0.31047134869107 15.999 > 89 90 O 0.99522737603612 0.69965644935644 0.31047134869107 15.999 > 89 91 O 0.49522737603612 0.69965644935644 0.81047134869107 15.999 > 89 92 O 0.99522737603612 0.69965644935644 0.81047134869107 15.999 > 89 93 O 0.00477262396388 0.19965644935644 0.43952865130893 15.999 > 93 94 O 0.50477262396388 0.19965644935644 0.43952865130893 15.999 > 93 95 O 0.00477262396388 0.19965644935644 0.93952865130893 15.999 > 93 96 O 0.50477262396388 0.19965644935644 0.93952865130893 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5091947 0.0000000 0.0334773 0.0000000 3.5304632 0.0000000 0.0334721 0.0000000 3.4408513 -------------------------- Born effective charges -------------------------- 1 Rb 1.1758772 -0.0570355 0.0485436 0.0065376 1.1863448 0.0199902 0.0514755 0.0208399 1.0701839 2 Rb 1.1758772 0.0570355 0.0485436 -0.0065376 1.1863448 -0.0199902 0.0514755 -0.0208399 1.0701839 3 Rb 1.1758772 -0.0570355 0.0485436 0.0065376 1.1863448 0.0199902 0.0514755 0.0208399 1.0701839 4 Rb 1.1758772 0.0570355 0.0485436 -0.0065376 1.1863448 -0.0199902 0.0514755 -0.0208399 1.0701839 5 Rb 1.2021243 0.0070512 -0.1450746 0.1139288 1.0968617 0.0431918 -0.0600248 0.0771269 1.1893827 6 Rb 1.2021243 -0.0070512 -0.1450746 -0.1139288 1.0968617 -0.0431918 -0.0600248 -0.0771269 1.1893827 7 Rb 1.2021243 0.0070512 -0.1450746 0.1139288 1.0968617 0.0431918 -0.0600248 0.0771269 1.1893827 8 Rb 1.2021243 -0.0070512 -0.1450746 -0.1139288 1.0968617 -0.0431918 -0.0600248 -0.0771269 1.1893827 9 Rb 1.0436752 0.0627773 0.0833131 -0.0275886 1.2319840 0.0275854 -0.0025375 0.0950105 1.2532110 10 Rb 1.0436752 -0.0627773 0.0833131 0.0275886 1.2319840 -0.0275854 -0.0025375 -0.0950105 1.2532110 11 Rb 1.0436752 0.0627773 0.0833131 -0.0275886 1.2319840 0.0275854 -0.0025375 0.0950105 1.2532110 12 Rb 1.0436752 -0.0627773 0.0833131 0.0275886 1.2319840 -0.0275854 -0.0025375 -0.0950105 1.2532110 13 Cu 0.4616918 -1.1533443 0.4615118 -1.2549204 0.1935603 -0.4600771 0.4633184 -0.4252712 -0.7219350 14 Cu 0.4616918 1.1533443 0.4615118 1.2549204 0.1935603 0.4600771 0.4633184 0.4252712 -0.7219350 15 Cu 0.4616918 -1.1533443 0.4615118 -1.2549204 0.1935603 -0.4600771 0.4633184 -0.4252712 -0.7219350 16 Cu 0.4616918 1.1533443 0.4615118 1.2549204 0.1935603 0.4600771 0.4633184 0.4252712 -0.7219350 17 O -2.0523054 -0.5215616 -0.2595131 -0.6186151 -1.7925562 -0.2083085 -0.2705354 -0.1812716 -1.3918573 18 O -2.0523054 0.5215616 -0.2595131 0.6186151 -1.7925562 0.2083085 -0.2705354 0.1812716 -1.3918573 19 O -2.0523054 -0.5215616 -0.2595131 -0.6186151 -1.7925562 -0.2083085 -0.2705354 -0.1812716 -1.3918573 20 O -2.0523054 0.5215616 -0.2595131 0.6186151 -1.7925562 0.2083085 -0.2705354 0.1812716 -1.3918573 21 O -1.8310632 -0.6184449 -0.1887807 -0.5993080 -1.9161946 -0.1870609 -0.1816962 -0.2217182 -1.3989853 22 O -1.8310632 0.6184449 -0.1887807 0.5993080 -1.9161946 0.1870609 -0.1816962 0.2217182 -1.3989853 23 O -1.8310632 -0.6184449 -0.1887807 -0.5993080 -1.9161946 -0.1870609 -0.1816962 -0.2217182 -1.3989853 24 O -1.8310632 0.6184449 -0.1887807 0.5993080 -1.9161946 0.1870609 -0.1816962 0.2217182 -1.3989853 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (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 2026-01-08 07:21:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:21:57]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.713088683257026 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -3.499300223816336 0.000000000000000 8.721762850603994 Atomic positions (fractional): 1 Rb 0.25989414148138 0.29081150389588 0.18750025402991 85.468 2 Rb 0.74010585851862 0.79081150389588 0.31249974597009 85.468 3 Rb 0.74010585851862 0.70918849610412 0.81249974597009 85.468 4 Rb 0.25989414148138 0.20918849610412 0.68750025402991 85.468 5 Rb 0.76423566756039 0.02471763433568 0.62446673526136 85.468 6 Rb 0.23576433243961 0.52471763433568 0.87553326473864 85.468 7 Rb 0.23576433243961 0.97528236566432 0.37553326473864 85.468 8 Rb 0.76423566756039 0.47528236566432 0.12446673526136 85.468 9 Rb 0.74600685231079 0.46368394577723 0.50550217169748 85.468 10 Rb 0.25399314768921 0.96368394577723 0.99449782830252 85.468 11 Rb 0.25399314768921 0.53631605422277 0.49449782830252 85.468 12 Rb 0.74600685231079 0.03631605422277 0.00550217169748 85.468 13 Cu 0.79139202387114 0.32090626087401 0.82710225340201 63.546 14 Cu 0.20860797612886 0.82090626087401 0.67289774659799 63.546 15 Cu 0.20860797612886 0.67909373912599 0.17289774659799 63.546 16 Cu 0.79139202387114 0.17909373912599 0.32710225340201 63.546 17 O 0.43154161212241 0.93849073791671 0.72302918629994 15.999 18 O 0.56845838787759 0.43849073791671 0.77697081370006 15.999 19 O 0.56845838787759 0.06150926208329 0.27697081370006 15.999 20 O 0.43154161212241 0.56150926208329 0.22302918629994 15.999 21 O 0.00954524792776 0.30034355064356 0.37905730261787 15.999 22 O 0.99045475207224 0.80034355064356 0.12094269738214 15.999 23 O 0.99045475207224 0.69965644935644 0.62094269738214 15.999 24 O 0.00954524792776 0.19965644935644 0.87905730261786 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.426177366514052 0.000000000000000 0.000000000000000 b 0.000000000000000 9.639322479999999 0.000000000000000 c -6.998600447632672 0.000000000000000 17.443525701207989 Atomic positions (fractional): 1 Rb 0.12994707074069 0.29081150389588 0.09375012701495 85.468 > 1 2 Rb 0.62994707074069 0.29081150389588 0.09375012701495 85.468 > 1 3 Rb 0.12994707074069 0.29081150389588 0.59375012701495 85.468 > 1 4 Rb 0.62994707074069 0.29081150389588 0.59375012701495 85.468 > 1 5 Rb 0.37005292925931 0.79081150389588 0.15624987298505 85.468 > 5 6 Rb 0.87005292925931 0.79081150389588 0.15624987298505 85.468 > 5 7 Rb 0.37005292925931 0.79081150389588 0.65624987298505 85.468 > 5 8 Rb 0.87005292925931 0.79081150389588 0.65624987298505 85.468 > 5 9 Rb 0.37005292925931 0.70918849610412 0.40624987298505 85.468 > 9 10 Rb 0.87005292925931 0.70918849610412 0.40624987298505 85.468 > 9 11 Rb 0.37005292925931 0.70918849610412 0.90624987298505 85.468 > 9 12 Rb 0.87005292925931 0.70918849610412 0.90624987298505 85.468 > 9 13 Rb 0.12994707074069 0.20918849610412 0.34375012701495 85.468 > 13 14 Rb 0.62994707074069 0.20918849610412 0.34375012701495 85.468 > 13 15 Rb 0.12994707074069 0.20918849610412 0.84375012701495 85.468 > 13 16 Rb 0.62994707074069 0.20918849610412 0.84375012701495 85.468 > 13 17 Rb 0.38211783378020 0.02471763433568 0.31223336763068 85.468 > 17 18 Rb 0.88211783378020 0.02471763433568 0.31223336763068 85.468 > 17 19 Rb 0.38211783378020 0.02471763433568 0.81223336763068 85.468 > 17 20 Rb 0.88211783378020 0.02471763433568 0.81223336763068 85.468 > 17 21 Rb 0.11788216621980 0.52471763433568 0.43776663236932 85.468 > 21 22 Rb 0.61788216621980 0.52471763433568 0.43776663236932 85.468 > 21 23 Rb 0.11788216621980 0.52471763433568 0.93776663236932 85.468 > 21 24 Rb 0.61788216621980 0.52471763433568 0.93776663236932 85.468 > 21 25 Rb 0.11788216621980 0.97528236566432 0.18776663236932 85.468 > 25 26 Rb 0.61788216621980 0.97528236566432 0.18776663236932 85.468 > 25 27 Rb 0.11788216621980 0.97528236566432 0.68776663236932 85.468 > 25 28 Rb 0.61788216621980 0.97528236566432 0.68776663236932 85.468 > 25 29 Rb 0.38211783378020 0.47528236566432 0.06223336763068 85.468 > 29 30 Rb 0.88211783378020 0.47528236566432 0.06223336763068 85.468 > 29 31 Rb 0.38211783378020 0.47528236566432 0.56223336763068 85.468 > 29 32 Rb 0.88211783378020 0.47528236566432 0.56223336763068 85.468 > 29 33 Rb 0.37300342615540 0.46368394577723 0.25275108584874 85.468 > 33 34 Rb 0.87300342615540 0.46368394577723 0.25275108584874 85.468 > 33 35 Rb 0.37300342615540 0.46368394577723 0.75275108584874 85.468 > 33 36 Rb 0.87300342615540 0.46368394577723 0.75275108584874 85.468 > 33 37 Rb 0.12699657384460 0.96368394577723 0.49724891415126 85.468 > 37 38 Rb 0.62699657384460 0.96368394577723 0.49724891415126 85.468 > 37 39 Rb 0.12699657384460 0.96368394577723 0.99724891415126 85.468 > 37 40 Rb 0.62699657384460 0.96368394577723 0.99724891415126 85.468 > 37 41 Rb 0.12699657384460 0.53631605422277 0.24724891415126 85.468 > 41 42 Rb 0.62699657384460 0.53631605422277 0.24724891415126 85.468 > 41 43 Rb 0.12699657384460 0.53631605422277 0.74724891415126 85.468 > 41 44 Rb 0.62699657384460 0.53631605422277 0.74724891415126 85.468 > 41 45 Rb 0.37300342615540 0.03631605422277 0.00275108584874 85.468 > 45 46 Rb 0.87300342615540 0.03631605422277 0.00275108584874 85.468 > 45 47 Rb 0.37300342615540 0.03631605422277 0.50275108584874 85.468 > 45 48 Rb 0.87300342615540 0.03631605422277 0.50275108584874 85.468 > 45 49 Cu 0.39569601193557 0.32090626087401 0.41355112670101 63.546 > 49 50 Cu 0.89569601193557 0.32090626087401 0.41355112670101 63.546 > 49 51 Cu 0.39569601193557 0.32090626087401 0.91355112670101 63.546 > 49 52 Cu 0.89569601193557 0.32090626087401 0.91355112670101 63.546 > 49 53 Cu 0.10430398806443 0.82090626087401 0.33644887329899 63.546 > 53 54 Cu 0.60430398806443 0.82090626087401 0.33644887329899 63.546 > 53 55 Cu 0.10430398806443 0.82090626087401 0.83644887329899 63.546 > 53 56 Cu 0.60430398806443 0.82090626087401 0.83644887329899 63.546 > 53 57 Cu 0.10430398806443 0.67909373912599 0.08644887329899 63.546 > 57 58 Cu 0.60430398806443 0.67909373912599 0.08644887329899 63.546 > 57 59 Cu 0.10430398806443 0.67909373912599 0.58644887329899 63.546 > 57 60 Cu 0.60430398806443 0.67909373912599 0.58644887329899 63.546 > 57 61 Cu 0.39569601193557 0.17909373912599 0.16355112670101 63.546 > 61 62 Cu 0.89569601193557 0.17909373912599 0.16355112670101 63.546 > 61 63 Cu 0.39569601193557 0.17909373912599 0.66355112670101 63.546 > 61 64 Cu 0.89569601193557 0.17909373912599 0.66355112670101 63.546 > 61 65 O 0.21577080606120 0.93849073791671 0.36151459314997 15.999 > 65 66 O 0.71577080606120 0.93849073791671 0.36151459314997 15.999 > 65 67 O 0.21577080606120 0.93849073791671 0.86151459314997 15.999 > 65 68 O 0.71577080606120 0.93849073791671 0.86151459314997 15.999 > 65 69 O 0.28422919393880 0.43849073791671 0.38848540685003 15.999 > 69 70 O 0.78422919393880 0.43849073791671 0.38848540685003 15.999 > 69 71 O 0.28422919393880 0.43849073791671 0.88848540685003 15.999 > 69 72 O 0.78422919393880 0.43849073791671 0.88848540685003 15.999 > 69 73 O 0.28422919393880 0.06150926208329 0.13848540685003 15.999 > 73 74 O 0.78422919393880 0.06150926208329 0.13848540685003 15.999 > 73 75 O 0.28422919393880 0.06150926208329 0.63848540685003 15.999 > 73 76 O 0.78422919393880 0.06150926208329 0.63848540685003 15.999 > 73 77 O 0.21577080606120 0.56150926208329 0.11151459314997 15.999 > 77 78 O 0.71577080606120 0.56150926208329 0.11151459314997 15.999 > 77 79 O 0.21577080606120 0.56150926208329 0.61151459314997 15.999 > 77 80 O 0.71577080606120 0.56150926208329 0.61151459314997 15.999 > 77 81 O 0.00477262396388 0.30034355064356 0.18952865130893 15.999 > 81 82 O 0.50477262396388 0.30034355064356 0.18952865130893 15.999 > 81 83 O 0.00477262396388 0.30034355064356 0.68952865130893 15.999 > 81 84 O 0.50477262396388 0.30034355064356 0.68952865130893 15.999 > 81 85 O 0.49522737603612 0.80034355064356 0.06047134869107 15.999 > 85 86 O 0.99522737603612 0.80034355064356 0.06047134869107 15.999 > 85 87 O 0.49522737603612 0.80034355064356 0.56047134869107 15.999 > 85 88 O 0.99522737603612 0.80034355064356 0.56047134869107 15.999 > 85 89 O 0.49522737603612 0.69965644935644 0.31047134869107 15.999 > 89 90 O 0.99522737603612 0.69965644935644 0.31047134869107 15.999 > 89 91 O 0.49522737603612 0.69965644935644 0.81047134869107 15.999 > 89 92 O 0.99522737603612 0.69965644935644 0.81047134869107 15.999 > 89 93 O 0.00477262396388 0.19965644935644 0.43952865130893 15.999 > 93 94 O 0.50477262396388 0.19965644935644 0.43952865130893 15.999 > 93 95 O 0.00477262396388 0.19965644935644 0.93952865130893 15.999 > 93 96 O 0.50477262396388 0.19965644935644 0.93952865130893 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5091947 0.0000000 0.0334773 0.0000000 3.5304632 0.0000000 0.0334721 0.0000000 3.4408513 -------------------------- Born effective charges -------------------------- 1 Rb 1.1758772 -0.0570355 0.0485436 0.0065376 1.1863448 0.0199902 0.0514755 0.0208399 1.0701839 2 Rb 1.1758772 0.0570355 0.0485436 -0.0065376 1.1863448 -0.0199902 0.0514755 -0.0208399 1.0701839 3 Rb 1.1758772 -0.0570355 0.0485436 0.0065376 1.1863448 0.0199902 0.0514755 0.0208399 1.0701839 4 Rb 1.1758772 0.0570355 0.0485436 -0.0065376 1.1863448 -0.0199902 0.0514755 -0.0208399 1.0701839 5 Rb 1.2021243 0.0070512 -0.1450746 0.1139288 1.0968617 0.0431918 -0.0600248 0.0771269 1.1893827 6 Rb 1.2021243 -0.0070512 -0.1450746 -0.1139288 1.0968617 -0.0431918 -0.0600248 -0.0771269 1.1893827 7 Rb 1.2021243 0.0070512 -0.1450746 0.1139288 1.0968617 0.0431918 -0.0600248 0.0771269 1.1893827 8 Rb 1.2021243 -0.0070512 -0.1450746 -0.1139288 1.0968617 -0.0431918 -0.0600248 -0.0771269 1.1893827 9 Rb 1.0436752 0.0627773 0.0833131 -0.0275886 1.2319840 0.0275854 -0.0025375 0.0950105 1.2532110 10 Rb 1.0436752 -0.0627773 0.0833131 0.0275886 1.2319840 -0.0275854 -0.0025375 -0.0950105 1.2532110 11 Rb 1.0436752 0.0627773 0.0833131 -0.0275886 1.2319840 0.0275854 -0.0025375 0.0950105 1.2532110 12 Rb 1.0436752 -0.0627773 0.0833131 0.0275886 1.2319840 -0.0275854 -0.0025375 -0.0950105 1.2532110 13 Cu 0.4616918 -1.1533443 0.4615118 -1.2549204 0.1935603 -0.4600771 0.4633184 -0.4252712 -0.7219350 14 Cu 0.4616918 1.1533443 0.4615118 1.2549204 0.1935603 0.4600771 0.4633184 0.4252712 -0.7219350 15 Cu 0.4616918 -1.1533443 0.4615118 -1.2549204 0.1935603 -0.4600771 0.4633184 -0.4252712 -0.7219350 16 Cu 0.4616918 1.1533443 0.4615118 1.2549204 0.1935603 0.4600771 0.4633184 0.4252712 -0.7219350 17 O -2.0523054 -0.5215616 -0.2595131 -0.6186151 -1.7925562 -0.2083085 -0.2705354 -0.1812716 -1.3918573 18 O -2.0523054 0.5215616 -0.2595131 0.6186151 -1.7925562 0.2083085 -0.2705354 0.1812716 -1.3918573 19 O -2.0523054 -0.5215616 -0.2595131 -0.6186151 -1.7925562 -0.2083085 -0.2705354 -0.1812716 -1.3918573 20 O -2.0523054 0.5215616 -0.2595131 0.6186151 -1.7925562 0.2083085 -0.2705354 0.1812716 -1.3918573 21 O -1.8310632 -0.6184449 -0.1887807 -0.5993080 -1.9161946 -0.1870609 -0.1816962 -0.2217182 -1.3989853 22 O -1.8310632 0.6184449 -0.1887807 0.5993080 -1.9161946 0.1870609 -0.1816962 0.2217182 -1.3989853 23 O -1.8310632 -0.6184449 -0.1887807 -0.5993080 -1.9161946 -0.1870609 -0.1816962 -0.2217182 -1.3989853 24 O -1.8310632 0.6184449 -0.1887807 0.5993080 -1.9161946 0.1870609 -0.1816962 0.2217182 -1.3989853 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- 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 ... [ 8 5 6 ] 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: 0.50, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 17.471 ( 0.000 0.000 0.000) 0.000 17.502 ( 0.000 0.000 0.000) 0.000 17.525 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 18.455 ( 0.000 0.000 0.000) 0.000 18.613 ( 0.000 0.000 0.000) 0.000 18.614 ( 0.000 0.000 0.000) 0.000 18.957 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( 11.096 0.000 9.660) 14.712 0.346 ( 14.795 0.000 8.488) 17.057 0.678 ( 31.377 0.000 11.043) 33.264 1.244 ( 3.652 0.000 -0.142) 3.655 1.356 ( -0.847 0.000 -8.328) 8.371 1.437 ( -3.002 0.000 1.616) 3.409 1.537 ( -1.639 0.000 -3.037) 3.451 1.633 ( 2.656 0.000 -1.477) 3.039 1.696 ( 4.462 0.000 2.554) 5.141 1.722 ( -5.945 0.000 -3.134) 6.720 1.792 ( 5.902 0.000 2.571) 6.438 1.838 ( 3.753 0.000 1.792) 4.159 1.859 ( -3.222 0.000 -2.452) 4.049 1.956 ( 0.588 0.000 0.580) 0.826 1.963 ( 2.006 0.000 0.665) 2.113 1.968 ( -2.076 0.000 -7.355) 7.643 2.097 ( -3.028 0.000 3.983) 5.003 2.137 ( 0.127 0.000 4.435) 4.437 2.243 ( -3.231 0.000 -1.749) 3.674 2.268 ( 0.147 0.000 2.238) 2.243 2.306 ( 1.068 0.000 0.157) 1.080 2.348 ( 4.573 0.000 -2.442) 5.185 2.450 ( -4.062 0.000 1.641) 4.381 2.483 ( -3.937 0.000 2.391) 4.606 2.640 ( -0.529 0.000 -0.027) 0.529 2.707 ( 2.433 0.000 4.045) 4.720 2.716 ( -8.249 0.000 -1.456) 8.377 2.746 ( 8.872 0.000 -0.910) 8.919 2.844 ( -2.930 0.000 -5.480) 6.214 2.965 ( 2.895 0.000 0.622) 2.961 2.967 ( 3.774 0.000 -1.178) 3.954 3.054 ( 3.248 0.000 -1.094) 3.427 3.112 ( -1.634 0.000 -7.617) 7.791 3.230 ( 2.482 0.000 -2.375) 3.435 3.265 ( 1.048 0.000 1.899) 2.169 3.377 ( 2.048 0.000 2.735) 3.417 3.436 ( -2.150 0.000 -0.282) 2.168 3.523 ( 0.328 0.000 0.767) 0.834 3.557 ( 0.687 0.000 -2.717) 2.803 3.565 ( -0.362 0.000 2.412) 2.439 3.583 ( -0.045 0.000 4.137) 4.137 3.696 ( -3.796 0.000 -1.003) 3.927 3.800 ( -3.388 0.000 -0.082) 3.389 3.941 ( 0.822 0.000 -3.286) 3.387 3.992 ( -4.467 0.000 0.923) 4.561 4.055 ( -4.099 0.000 -0.187) 4.103 4.065 ( 0.001 0.000 6.346) 6.346 4.290 ( -1.634 0.000 6.798) 6.992 4.415 ( -6.953 0.000 -5.598) 8.926 4.593 ( -3.349 0.000 -3.199) 4.631 4.697 ( 4.419 0.000 0.004) 4.419 4.921 ( 5.296 0.000 -2.784) 5.983 5.283 ( 3.332 0.000 1.023) 3.486 5.486 ( -1.940 0.000 -6.275) 6.568 5.664 ( -9.064 0.000 3.182) 9.606 6.368 ( -6.866 0.000 -1.013) 6.940 6.677 ( 1.284 0.000 -0.847) 1.538 6.851 ( -3.154 0.000 -3.255) 4.532 6.974 ( -3.147 0.000 -0.947) 3.287 7.191 ( 5.872 0.000 2.016) 6.209 7.270 ( 1.551 0.000 4.333) 4.602 7.453 ( 2.865 0.000 3.687) 4.670 7.838 ( -0.413 0.000 7.332) 7.344 7.972 ( -4.100 0.000 -2.587) 4.848 17.493 ( 1.901 0.000 0.893) 2.100 17.506 ( 0.697 0.000 -0.691) 0.981 17.554 ( 2.803 0.000 0.455) 2.840 17.868 ( -1.689 0.000 -0.912) 1.920 18.526 ( 5.847 0.000 3.052) 6.595 18.598 ( -0.599 0.000 -2.384) 2.458 18.901 ( -4.435 0.000 -3.106) 5.414 19.620 ( -2.679 0.000 -4.712) 5.420 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 10.593 0.000 9.100) 13.965 0.671 ( 13.365 0.000 7.641) 15.395 1.265 ( -0.397 0.000 -1.961) 2.001 1.298 ( 23.816 0.000 7.998) 25.123 1.302 ( 0.136 0.000 -6.391) 6.393 1.433 ( -6.439 0.000 -5.359) 8.377 1.464 ( 3.874 0.000 5.546) 6.765 1.541 ( -4.662 0.000 -2.702) 5.389 1.716 ( 2.067 0.000 -1.027) 2.308 1.786 ( 3.402 0.000 0.566) 3.449 1.811 ( -1.448 0.000 -3.444) 3.736 1.814 ( 1.755 0.000 -2.771) 3.280 1.859 ( -2.481 0.000 -3.867) 4.595 1.954 ( 4.225 0.000 2.075) 4.707 1.975 ( -0.502 0.000 -1.728) 1.799 2.074 ( 7.043 0.000 4.892) 8.576 2.097 ( 0.787 0.000 0.873) 1.176 2.145 ( -2.974 0.000 0.438) 3.006 2.159 ( -1.846 0.000 0.516) 1.917 2.281 ( -0.141 0.000 -0.189) 0.236 2.301 ( -1.958 0.000 4.035) 4.485 2.406 ( -2.624 0.000 0.388) 2.653 2.428 ( 1.512 0.000 0.517) 1.598 2.469 ( 3.726 0.000 1.585) 4.049 2.564 ( -6.116 0.000 2.940) 6.786 2.626 ( -0.138 0.000 -1.761) 1.767 2.750 ( -2.684 0.000 -4.285) 5.056 2.796 ( 3.913 0.000 3.210) 5.061 2.899 ( 6.481 0.000 0.265) 6.487 2.963 ( -4.392 0.000 -2.507) 5.057 3.009 ( 1.764 0.000 -2.532) 3.086 3.024 ( 4.629 0.000 -11.352) 12.260 3.107 ( 1.070 0.000 -4.027) 4.167 3.267 ( -1.068 0.000 -0.827) 1.350 3.300 ( 5.847 0.000 -0.155) 5.849 3.377 ( -3.355 0.000 2.015) 3.914 3.461 ( 2.702 0.000 3.474) 4.401 3.525 ( -6.586 0.000 -3.943) 7.676 3.552 ( -0.350 0.000 1.235) 1.284 3.552 ( -1.905 0.000 5.085) 5.430 3.595 ( -2.705 0.000 2.548) 3.716 3.611 ( 0.422 0.000 2.116) 2.158 3.724 ( -4.402 0.000 -0.019) 4.402 3.896 ( -5.769 0.000 0.320) 5.778 3.916 ( -1.970 0.000 -2.547) 3.220 3.986 ( -1.654 0.000 0.526) 1.736 4.109 ( -1.556 0.000 8.395) 8.538 4.216 ( -9.038 0.000 -2.216) 9.306 4.333 ( 1.680 0.000 2.684) 3.166 4.485 ( -4.640 0.000 -3.754) 5.968 4.804 ( 6.705 0.000 -2.147) 7.040 5.012 ( 6.538 0.000 -4.310) 7.830 5.340 ( -3.816 0.000 -8.190) 9.036 5.378 ( 2.558 0.000 -0.372) 2.585 5.526 ( -8.025 0.000 7.252) 10.816 6.171 ( -13.995 0.000 2.808) 14.274 6.697 ( 1.239 0.000 -0.512) 1.340 6.806 ( 0.727 0.000 -2.924) 3.013 6.931 ( -0.437 0.000 0.289) 0.524 7.311 ( 4.317 0.000 1.982) 4.750 7.317 ( 0.561 0.000 2.777) 2.833 7.538 ( 1.454 0.000 6.383) 6.547 7.840 ( -5.806 0.000 -5.989) 8.341 7.891 ( 1.420 0.000 3.313) 3.604 17.518 ( 1.216 0.000 -0.891) 1.507 17.550 ( 3.053 0.000 1.370) 3.346 17.623 ( 3.645 0.000 0.794) 3.731 17.826 ( -1.816 0.000 -0.887) 2.021 18.562 ( -0.590 0.000 -3.866) 3.911 18.694 ( 8.758 0.000 4.122) 9.680 18.765 ( -6.542 0.000 -4.177) 7.762 19.501 ( -6.730 0.000 -3.083) 7.402 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 9.361 0.000 8.126) 12.396 0.940 ( 9.466 0.000 5.432) 10.913 1.230 ( -1.747 0.000 0.689) 1.878 1.252 ( -6.237 0.000 -6.031) 8.676 1.297 ( 3.304 0.000 -4.272) 5.400 1.338 ( -7.304 0.000 -4.079) 8.366 1.586 ( 1.981 0.000 3.848) 4.328 1.618 ( -0.973 0.000 -0.366) 1.039 1.713 ( -1.283 0.000 -2.342) 2.670 1.758 ( 4.895 0.000 1.186) 5.037 1.808 ( 0.182 0.000 -2.483) 2.490 1.873 ( 2.687 0.000 -1.466) 3.061 1.925 ( -0.064 0.000 -2.621) 2.622 1.977 ( -1.844 0.000 1.912) 2.656 2.035 ( -4.159 0.000 -0.756) 4.227 2.055 ( 13.736 0.000 4.054) 14.322 2.115 ( 0.729 0.000 -0.479) 0.872 2.140 ( -1.406 0.000 -0.877) 1.657 2.255 ( 3.606 0.000 1.477) 3.897 2.258 ( -0.848 0.000 1.399) 1.635 2.338 ( 4.249 0.000 6.094) 7.429 2.352 ( 0.896 0.000 -0.762) 1.176 2.448 ( 1.552 0.000 0.514) 1.635 2.546 ( -2.977 0.000 4.461) 5.363 2.609 ( 7.510 0.000 2.058) 7.787 2.616 ( 0.842 0.000 -0.541) 1.001 2.711 ( 1.958 0.000 -0.246) 1.973 2.879 ( 2.742 0.000 -0.095) 2.743 2.889 ( -0.543 0.000 -1.187) 1.305 2.950 ( -1.701 0.000 -2.559) 3.073 2.999 ( 1.100 0.000 -9.686) 9.749 3.004 ( 0.828 0.000 -0.869) 1.200 3.098 ( 2.101 0.000 -4.994) 5.418 3.213 ( -3.617 0.000 -0.566) 3.661 3.230 ( -17.178 0.000 -6.582) 18.396 3.300 ( -6.637 0.000 2.447) 7.073 3.410 ( 5.150 0.000 0.597) 5.185 3.534 ( 1.763 0.000 3.622) 4.029 3.563 ( -2.069 0.000 2.992) 3.638 3.572 ( 0.758 0.000 3.014) 3.108 3.614 ( 0.713 0.000 3.108) 3.188 3.635 ( 1.257 0.000 0.673) 1.426 3.651 ( -2.584 0.000 -1.059) 2.793 3.797 ( -4.452 0.000 -1.060) 4.577 3.847 ( -3.385 0.000 -0.331) 3.401 3.998 ( 1.890 0.000 -0.415) 1.935 4.081 ( -3.476 0.000 -1.079) 3.639 4.122 ( -2.573 0.000 5.024) 5.644 4.401 ( -1.731 0.000 -1.190) 2.100 4.402 ( 2.947 0.000 3.164) 4.324 4.865 ( 2.090 0.000 -4.456) 4.922 5.083 ( 3.547 0.000 -1.479) 3.843 5.139 ( -7.456 0.000 -8.451) 11.270 5.482 ( 5.782 0.000 1.323) 5.931 5.504 ( -0.724 0.000 6.202) 6.244 5.930 ( -12.214 0.000 0.659) 12.232 6.713 ( 0.551 0.000 0.152) 0.571 6.813 ( 1.008 0.000 -0.834) 1.308 6.979 ( 4.356 0.000 2.264) 4.909 7.337 ( 0.160 0.000 1.211) 1.222 7.359 ( -0.734 0.000 0.694) 1.010 7.540 ( -6.001 0.000 3.416) 6.905 7.738 ( 0.938 0.000 -4.553) 4.649 7.932 ( 0.896 0.000 1.471) 1.722 17.535 ( 1.069 0.000 -0.562) 1.207 17.615 ( 2.486 0.000 1.167) 2.747 17.687 ( 2.363 0.000 0.636) 2.447 17.792 ( -1.170 0.000 -0.511) 1.277 18.528 ( 0.225 0.000 -3.682) 3.689 18.624 ( -5.349 0.000 -2.278) 5.814 18.896 ( 9.279 0.000 3.707) 9.992 19.335 ( -8.406 0.000 -2.708) 8.832 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.000 0.000 -0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.212 ( 0.000 0.000 -0.000) 0.000 1.222 ( 0.000 0.000 0.000) 0.000 1.322 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.758 ( -0.000 0.000 -0.000) 0.000 1.799 ( 0.000 0.000 -0.000) 0.000 1.800 ( -0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.041 ( -0.000 0.000 -0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 -0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.442 ( -0.000 0.000 -0.000) 0.000 2.448 ( 0.000 0.000 -0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 -0.000) 0.000 2.707 ( -0.000 0.000 -0.000) 0.000 2.730 ( -0.000 0.000 -0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.848 ( -0.000 0.000 -0.000) 0.000 2.915 ( 0.000 0.000 -0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.525 ( -0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.612 ( -0.000 0.000 -0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 -0.000) 0.000 4.050 ( -0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 -0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 17.544 ( 0.000 0.000 0.000) 0.000 17.645 ( 0.000 0.000 0.000) 0.000 17.713 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 18.519 ( 0.000 0.000 0.000) 0.000 18.558 ( -0.000 0.000 0.000) 0.000 19.044 ( 0.000 0.000 0.000) 0.000 19.198 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 0.000 16.446 0.000) 16.446 0.376 ( 0.000 18.007 0.000) 18.007 0.609 ( 0.000 28.555 0.000) 28.555 1.170 ( 0.000 -5.622 0.000) 5.622 1.368 ( 0.000 -11.121 0.000) 11.121 1.387 ( 0.000 -2.410 0.000) 2.410 1.515 ( 0.000 -6.028 0.000) 6.028 1.547 ( 0.000 -0.366 0.000) 0.366 1.634 ( 0.000 1.637 0.000) 1.637 1.647 ( 0.000 -4.283 0.000) 4.283 1.762 ( 0.000 -1.133 0.000) 1.133 1.866 ( 0.000 -0.326 0.000) 0.326 1.869 ( 0.000 2.083 0.000) 2.083 1.978 ( 0.000 3.962 0.000) 3.962 1.996 ( 0.000 0.948 0.000) 0.948 2.052 ( 0.000 -2.737 0.000) 2.737 2.135 ( 0.000 6.055 0.000) 6.055 2.164 ( 0.000 0.880 0.000) 0.880 2.237 ( 0.000 0.028 0.000) 0.028 2.240 ( 0.000 -2.510 0.000) 2.510 2.308 ( 0.000 3.580 0.000) 3.580 2.348 ( 0.000 2.964 0.000) 2.964 2.455 ( 0.000 -6.983 0.000) 6.983 2.475 ( 0.000 -7.154 0.000) 7.154 2.514 ( 0.000 -4.580 0.000) 4.580 2.583 ( 0.000 -3.430 0.000) 3.430 2.676 ( 0.000 0.044 0.000) 0.044 2.767 ( 0.000 -6.174 0.000) 6.174 2.787 ( 0.000 -1.935 0.000) 1.935 2.905 ( 0.000 1.971 0.000) 1.971 2.953 ( 0.000 -3.350 0.000) 3.350 3.109 ( 0.000 -1.033 0.000) 1.033 3.160 ( 0.000 1.207 0.000) 1.207 3.160 ( 0.000 5.348 0.000) 5.348 3.333 ( 0.000 7.662 0.000) 7.662 3.375 ( 0.000 2.775 0.000) 2.775 3.498 ( 0.000 4.371 0.000) 4.371 3.501 ( 0.000 -1.092 0.000) 1.092 3.528 ( 0.000 0.115 0.000) 0.115 3.560 ( 0.000 0.484 0.000) 0.484 3.595 ( 0.000 0.080 0.000) 0.080 3.671 ( 0.000 6.615 0.000) 6.615 3.727 ( 0.000 -0.577 0.000) 0.577 3.883 ( 0.000 -7.328 0.000) 7.328 3.953 ( 0.000 -2.653 0.000) 2.653 4.089 ( 0.000 -0.978 0.000) 0.978 4.128 ( 0.000 7.268 0.000) 7.268 4.379 ( 0.000 5.642 0.000) 5.642 4.635 ( 0.000 -1.857 0.000) 1.857 4.758 ( 0.000 -3.340 0.000) 3.340 4.760 ( 0.000 9.685 0.000) 9.685 4.877 ( 0.000 0.249 0.000) 0.249 5.367 ( 0.000 6.139 0.000) 6.139 5.495 ( 0.000 0.972 0.000) 0.972 5.630 ( 0.000 -10.713 0.000) 10.713 6.326 ( 0.000 -5.823 0.000) 5.823 6.672 ( 0.000 0.448 0.000) 0.448 6.835 ( 0.000 -5.728 0.000) 5.728 7.050 ( 0.000 -4.125 0.000) 4.125 7.074 ( 0.000 -2.609 0.000) 2.609 7.349 ( 0.000 6.940 0.000) 6.940 7.445 ( 0.000 3.304 0.000) 3.304 7.916 ( 0.000 0.980 0.000) 0.980 8.013 ( 0.000 -0.794 0.000) 0.794 17.473 ( 0.000 0.258 0.000) 0.258 17.518 ( 0.000 -0.638 0.000) 0.638 17.540 ( 0.000 3.377 0.000) 3.377 17.850 ( 0.000 -3.626 0.000) 3.626 18.471 ( 0.000 1.439 0.000) 1.439 18.592 ( 0.000 -1.674 0.000) 1.674 19.015 ( 0.000 5.095 0.000) 5.095 19.384 ( 0.000 -3.521 0.000) 3.521 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 8.741 10.254 7.359) 15.353 0.457 ( 7.373 13.620 3.007) 15.777 0.923 ( 21.245 17.721 8.867) 29.052 1.202 ( 3.385 -5.049 -0.146) 6.081 1.329 ( -0.532 -4.985 -4.867) 6.987 1.369 ( -1.533 -2.349 0.460) 2.843 1.505 ( 0.794 -7.585 -2.278) 7.959 1.565 ( 0.436 -1.408 -4.069) 4.328 1.594 ( -1.355 -5.787 0.898) 6.011 1.692 ( -1.598 -1.616 -3.123) 3.862 1.800 ( 8.020 0.015 3.643) 8.808 1.834 ( 0.428 1.432 -3.994) 4.265 1.911 ( 0.322 -0.470 3.186) 3.237 1.950 ( 0.009 3.415 -1.939) 3.927 2.000 ( -3.350 0.952 -4.140) 5.410 2.008 ( 0.116 0.930 0.736) 1.191 2.122 ( -1.721 1.506 0.699) 2.391 2.152 ( -2.114 1.706 3.875) 4.733 2.206 ( -2.601 -1.766 -0.823) 3.250 2.278 ( 0.586 1.029 3.794) 3.974 2.311 ( -0.046 2.198 0.464) 2.247 2.392 ( 4.075 1.873 -2.253) 5.019 2.440 ( -0.672 -3.119 2.230) 3.893 2.446 ( -1.206 -4.645 0.061) 4.799 2.582 ( 1.357 -4.182 2.272) 4.949 2.635 ( -0.196 -2.317 2.406) 3.346 2.687 ( 0.664 -2.627 -0.744) 2.810 2.749 ( 3.979 -1.610 1.609) 4.584 2.756 ( -0.191 -3.443 -0.639) 3.507 2.909 ( 0.463 -2.679 -2.114) 3.444 2.998 ( 3.535 0.825 -1.028) 3.773 3.114 ( 0.704 0.318 -5.456) 5.510 3.150 ( 0.626 0.006 -6.564) 6.594 3.182 ( 0.056 4.083 3.116) 5.136 3.346 ( 1.535 6.188 -0.738) 6.418 3.402 ( 0.300 0.772 1.272) 1.518 3.477 ( 0.125 1.963 0.306) 1.991 3.524 ( -0.991 0.673 2.923) 3.159 3.535 ( 2.659 -1.376 -0.286) 3.008 3.567 ( -0.910 0.231 2.226) 2.416 3.602 ( -0.500 -0.042 -2.461) 2.511 3.698 ( -1.965 2.784 2.359) 4.145 3.716 ( 1.450 -0.846 0.941) 1.925 3.898 ( -0.058 -7.826 3.491) 8.569 3.940 ( -1.246 -1.440 -0.753) 2.048 4.059 ( -2.902 -0.385 0.288) 2.942 4.120 ( -2.227 7.136 2.303) 7.822 4.381 ( -0.610 5.382 3.059) 6.221 4.555 ( -11.506 3.237 -6.077) 13.409 4.598 ( -4.553 0.068 -4.747) 6.578 4.785 ( 2.468 7.868 -0.375) 8.255 4.917 ( 3.806 0.428 0.733) 3.900 5.342 ( 0.747 7.484 -2.168) 7.827 5.407 ( -5.072 -5.561 -5.201) 9.149 5.584 ( -6.540 -7.328 5.353) 11.186 6.271 ( -7.789 -8.488 1.352) 11.599 6.683 ( 1.127 0.577 -0.431) 1.338 6.802 ( -0.527 -3.591 -4.403) 5.706 6.992 ( -2.645 0.512 -0.389) 2.722 7.124 ( 3.682 -3.428 1.226) 5.178 7.396 ( 2.738 6.211 2.799) 7.342 7.479 ( 1.436 1.916 2.081) 3.172 7.867 ( -2.968 2.041 3.451) 4.988 7.972 ( -3.481 -0.297 -2.043) 4.047 17.496 ( 1.711 0.333 0.444) 1.799 17.508 ( 0.260 0.565 -1.650) 1.763 17.600 ( 4.315 2.788 1.614) 5.385 17.839 ( -0.620 -2.683 -0.601) 2.818 18.538 ( 5.365 1.088 3.077) 6.279 18.618 ( 0.554 0.401 -0.651) 0.944 18.942 ( -5.346 4.306 -3.005) 7.493 19.424 ( 1.121 -11.105 -1.911) 11.324 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 8.910 8.041 5.072) 13.029 0.706 ( 11.939 4.090 9.264) 15.655 1.231 ( 1.531 -6.192 -0.361) 6.389 1.258 ( -0.056 -0.025 0.222) 0.230 1.350 ( 3.012 -3.914 -5.129) 7.121 1.412 ( 6.821 4.698 -0.188) 8.285 1.484 ( -0.908 -7.300 0.428) 7.369 1.524 ( 4.625 4.401 1.661) 6.597 1.600 ( 1.482 -3.601 1.247) 4.089 1.693 ( 2.183 -5.068 -3.630) 6.605 1.815 ( 3.291 0.554 -4.779) 5.829 1.864 ( -3.598 1.007 -2.091) 4.281 1.915 ( -0.177 3.220 -1.182) 3.435 1.962 ( 1.793 -0.211 -0.572) 1.894 1.993 ( 4.557 1.859 1.333) 5.098 2.070 ( 3.580 -1.369 1.025) 3.968 2.086 ( -0.638 -2.308 0.027) 2.395 2.119 ( -4.102 -2.045 -0.243) 4.590 2.163 ( -0.333 4.033 4.591) 6.120 2.301 ( 0.668 1.418 1.746) 2.347 2.331 ( 0.164 1.577 2.039) 2.583 2.399 ( -2.699 -3.799 -0.253) 4.667 2.424 ( -1.474 2.271 0.373) 2.733 2.471 ( 0.586 0.240 2.319) 2.404 2.553 ( -1.047 0.434 2.264) 2.532 2.632 ( 0.398 -1.175 -1.141) 1.686 2.680 ( 0.918 -2.167 -1.304) 2.690 2.815 ( 3.863 -3.459 0.950) 5.272 2.875 ( 2.086 1.607 -1.009) 2.819 2.969 ( 6.213 -6.053 2.013) 8.904 3.002 ( 2.027 4.098 -4.668) 6.534 3.058 ( -2.052 -2.499 -5.118) 6.054 3.124 ( 2.576 2.360 -6.888) 7.724 3.205 ( 1.426 2.239 1.150) 2.893 3.346 ( -1.065 2.764 -2.048) 3.601 3.387 ( -2.195 1.175 1.130) 2.734 3.484 ( -2.776 0.081 -0.017) 2.777 3.518 ( -0.485 0.588 -1.408) 1.601 3.561 ( -1.530 -0.241 2.423) 2.876 3.570 ( -0.582 -0.202 2.775) 2.843 3.573 ( -1.101 1.273 2.510) 3.022 3.653 ( -1.353 -0.114 0.840) 1.597 3.740 ( -0.990 3.881 2.121) 4.533 3.870 ( -3.838 -2.231 -2.408) 5.050 3.941 ( 0.760 -3.358 3.249) 4.735 4.009 ( -3.114 0.806 1.887) 3.729 4.077 ( -3.254 4.131 1.632) 5.507 4.242 ( -12.591 2.090 -4.011) 13.379 4.421 ( -2.589 4.537 3.624) 6.358 4.516 ( -0.028 2.624 -3.110) 4.069 4.829 ( 2.720 3.001 -3.205) 5.165 5.010 ( 5.356 -0.159 -0.472) 5.379 5.251 ( -6.221 -6.417 -5.979) 10.753 5.375 ( 2.729 0.491 -1.968) 3.401 5.504 ( -4.943 -2.110 6.790) 8.660 6.081 ( -12.596 -8.333 1.960) 15.229 6.694 ( 0.625 -0.005 -1.301) 1.443 6.782 ( 0.974 -1.695 -1.999) 2.796 6.973 ( 0.595 3.100 0.706) 3.234 7.210 ( 3.634 -4.071 1.869) 5.768 7.435 ( -0.412 4.566 0.051) 4.585 7.533 ( 1.463 -0.045 5.553) 5.743 7.838 ( -4.375 0.330 -2.618) 5.109 7.898 ( -0.627 0.198 1.458) 1.600 17.496 ( 0.423 -0.533 -1.130) 1.320 17.545 ( 2.087 -0.947 -0.198) 2.300 17.696 ( 4.483 5.134 1.486) 6.976 17.836 ( 0.867 0.631 0.239) 1.099 18.590 ( -1.290 2.301 -3.219) 4.162 18.692 ( 7.230 -0.277 3.523) 8.047 18.797 ( -6.485 3.331 -3.789) 8.216 19.370 ( -4.520 -10.821 -2.201) 11.932 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 7.072 2.942 4.487) 8.877 0.972 ( 8.555 3.056 8.791) 12.641 1.205 ( -1.890 -1.431 0.480) 2.419 1.252 ( 0.904 -0.164 -4.462) 4.555 1.315 ( -2.250 -1.943 -3.189) 4.360 1.368 ( -0.336 5.112 -4.939) 7.116 1.486 ( -1.248 -7.393 0.119) 7.498 1.623 ( 1.079 -1.033 2.678) 3.066 1.686 ( 3.535 -1.780 1.630) 4.281 1.721 ( 2.523 -5.879 -1.029) 6.480 1.773 ( -1.673 2.056 -3.638) 4.502 1.874 ( -3.144 -0.910 -1.016) 3.427 1.880 ( -0.369 -1.826 -1.183) 2.207 1.991 ( -0.938 -1.912 -1.940) 2.881 2.013 ( -1.170 0.028 -3.296) 3.497 2.090 ( -0.626 0.069 -0.434) 0.765 2.128 ( 3.298 -0.902 1.644) 3.794 2.158 ( 8.363 5.341 5.854) 11.521 2.218 ( 0.027 -0.943 -0.256) 0.978 2.313 ( -1.862 -3.081 -0.245) 3.609 2.367 ( 3.603 4.498 2.625) 6.333 2.376 ( 3.221 5.321 5.722) 8.451 2.415 ( 2.559 -2.975 -0.262) 3.933 2.535 ( 2.889 -1.036 4.435) 5.394 2.560 ( 0.533 -1.972 -0.807) 2.197 2.639 ( 0.860 2.246 -0.218) 2.415 2.726 ( 4.377 0.154 -0.103) 4.381 2.844 ( -2.167 -2.372 -3.877) 5.035 2.867 ( 1.576 -2.341 -0.129) 2.825 2.968 ( -0.135 3.027 -1.925) 3.590 3.011 ( 0.849 0.501 -2.039) 2.265 3.078 ( -2.583 2.066 -4.334) 5.452 3.126 ( 4.363 3.200 -3.464) 6.424 3.243 ( -2.124 2.842 0.964) 3.677 3.269 ( -9.960 2.643 -3.811) 10.986 3.344 ( -3.172 1.208 0.787) 3.484 3.354 ( 1.923 -0.892 0.732) 2.243 3.536 ( -0.232 -1.206 1.396) 1.859 3.547 ( 0.450 -0.393 0.814) 1.010 3.560 ( -1.790 -0.446 3.088) 3.597 3.599 ( 0.804 0.398 1.418) 1.678 3.663 ( -0.177 1.980 1.260) 2.354 3.735 ( -0.499 2.850 2.393) 3.755 3.769 ( -4.092 2.843 -3.087) 5.862 3.909 ( -7.564 0.010 -0.646) 7.592 3.995 ( 1.853 -2.208 1.428) 3.217 4.042 ( -1.601 -0.837 1.184) 2.160 4.081 ( -2.386 -0.858 -0.049) 2.536 4.363 ( -2.606 1.505 -0.396) 3.036 4.560 ( 2.294 7.619 3.544) 8.710 4.812 ( -0.932 -3.968 -4.683) 6.209 5.065 ( -1.641 -3.934 -4.144) 5.945 5.117 ( -0.740 0.429 -2.556) 2.695 5.389 ( 0.245 -5.589 2.124) 5.984 5.551 ( 3.836 1.940 3.306) 5.422 5.873 ( -10.014 -5.298 0.725) 11.352 6.694 ( 0.208 -0.933 -0.445) 1.054 6.794 ( 0.928 -1.548 -0.416) 1.852 7.029 ( 4.083 3.592 2.211) 5.871 7.271 ( 1.797 -3.609 0.615) 4.078 7.383 ( -4.764 0.929 -0.973) 4.950 7.591 ( -0.504 2.480 6.021) 6.531 7.724 ( -2.197 0.075 -5.860) 6.259 7.922 ( 0.641 -1.061 1.759) 2.152 17.502 ( 0.801 -1.587 -0.515) 1.851 17.564 ( 0.378 -3.328 -0.573) 3.398 17.779 ( 3.083 7.019 1.050) 7.738 17.873 ( 2.062 5.393 1.076) 5.873 18.541 ( -0.746 1.245 -3.536) 3.822 18.632 ( -5.948 0.596 -2.780) 6.593 18.881 ( 7.915 -0.923 3.390) 8.660 19.247 ( -6.598 -7.827 -1.932) 10.418 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 -1.243 0.000) 1.243 1.140 ( -0.000 5.857 -0.000) 5.857 1.168 ( 0.000 0.010 0.000) 0.010 1.225 ( -0.000 1.024 -0.000) 1.024 1.246 ( 0.000 2.221 0.000) 2.221 1.385 ( 0.000 5.423 0.000) 5.423 1.459 ( 0.000 -8.602 0.000) 8.602 1.643 ( 0.000 2.431 0.000) 2.431 1.712 ( 0.000 -2.013 0.000) 2.013 1.753 ( 0.000 -3.985 0.000) 3.985 1.762 ( 0.000 -3.715 -0.000) 3.715 1.834 ( 0.000 -1.900 0.000) 1.900 1.848 ( 0.000 -2.769 0.000) 2.769 1.960 ( 0.000 0.283 0.000) 0.283 2.001 ( 0.000 -2.445 0.000) 2.445 2.056 ( 0.000 -2.738 0.000) 2.738 2.163 ( -0.000 1.926 0.000) 1.926 2.210 ( 0.000 -3.054 -0.000) 3.054 2.216 ( 0.000 7.151 -0.000) 7.151 2.315 ( 0.000 -8.316 0.000) 8.316 2.384 ( 0.000 5.069 0.000) 5.069 2.471 ( -0.000 1.544 -0.000) 1.544 2.472 ( 0.000 0.556 0.000) 0.556 2.630 ( 0.000 -5.561 0.000) 5.561 2.639 ( 0.000 -0.655 0.000) 0.655 2.677 ( 0.000 0.238 0.000) 0.238 2.796 ( -0.000 -0.398 -0.000) 0.398 2.804 ( 0.000 2.847 0.000) 2.847 2.856 ( 0.000 4.604 0.000) 4.604 2.901 ( 0.000 -3.064 0.000) 3.064 2.974 ( 0.000 3.609 0.000) 3.609 3.004 ( 0.000 1.398 0.000) 1.398 3.118 ( 0.000 7.457 0.000) 7.457 3.166 ( 0.000 5.036 0.000) 5.036 3.219 ( 0.000 2.021 0.000) 2.021 3.291 ( 0.000 4.783 0.000) 4.783 3.479 ( 0.000 -4.583 0.000) 4.583 3.483 ( -0.000 -1.457 -0.000) 1.457 3.551 ( 0.000 -1.685 0.000) 1.685 3.585 ( 0.000 -0.755 0.000) 0.755 3.604 ( 0.000 0.549 -0.000) 0.549 3.653 ( -0.000 3.483 0.000) 3.483 3.704 ( 0.000 3.845 0.000) 3.845 3.785 ( -0.000 1.000 -0.000) 1.000 3.788 ( 0.000 -1.348 0.000) 1.348 4.024 ( 0.000 -5.724 0.000) 5.724 4.034 ( 0.000 1.112 -0.000) 1.112 4.066 ( 0.000 0.276 0.000) 0.276 4.341 ( 0.000 0.617 0.000) 0.617 4.606 ( 0.000 8.796 0.000) 8.796 4.775 ( 0.000 -6.955 -0.000) 6.955 4.989 ( 0.000 -2.960 0.000) 2.960 5.129 ( 0.000 1.244 0.000) 1.244 5.410 ( 0.000 -7.755 0.000) 7.755 5.619 ( -0.000 1.719 0.000) 1.719 5.761 ( 0.000 -2.398 0.000) 2.398 6.694 ( 0.000 -1.300 0.000) 1.300 6.802 ( 0.000 -1.703 0.000) 1.703 7.110 ( 0.000 2.641 0.000) 2.641 7.277 ( -0.000 -3.208 0.000) 3.208 7.309 ( 0.000 0.591 0.000) 0.591 7.603 ( 0.000 8.041 -0.000) 8.041 7.689 ( 0.000 -4.969 0.000) 4.969 7.936 ( 0.000 -1.258 0.000) 1.258 17.510 ( 0.000 -1.890 0.000) 1.890 17.563 ( 0.000 -4.318 0.000) 4.318 17.814 ( 0.000 7.804 0.000) 7.804 17.902 ( 0.000 7.743 0.000) 7.743 18.522 ( 0.000 0.253 0.000) 0.253 18.556 ( -0.000 -0.232 0.000) 0.232 19.005 ( 0.000 -3.177 0.000) 3.177 19.140 ( -0.000 -5.190 -0.000) 5.190 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 15.082 0.000) 15.082 0.743 ( 0.000 17.226 0.000) 17.226 0.952 ( 0.000 -9.614 0.000) 9.614 1.075 ( 0.000 -12.585 0.000) 12.585 1.207 ( 0.000 17.077 0.000) 17.077 1.343 ( 0.000 -1.332 0.000) 1.332 1.421 ( 0.000 -0.333 0.000) 0.333 1.550 ( 0.000 0.386 0.000) 0.386 1.580 ( 0.000 -2.109 0.000) 2.109 1.612 ( 0.000 -5.864 0.000) 5.864 1.758 ( 0.000 0.968 0.000) 0.968 1.866 ( 0.000 -8.955 0.000) 8.955 1.900 ( 0.000 -0.367 0.000) 0.367 1.905 ( 0.000 0.923 0.000) 0.923 2.026 ( 0.000 1.338 0.000) 1.338 2.033 ( 0.000 0.595 0.000) 0.595 2.156 ( 0.000 -1.230 0.000) 1.230 2.192 ( 0.000 -0.622 0.000) 0.622 2.209 ( 0.000 1.494 0.000) 1.494 2.260 ( 0.000 -5.199 0.000) 5.199 2.290 ( 0.000 1.243 0.000) 1.243 2.326 ( 0.000 -3.066 0.000) 3.066 2.405 ( 0.000 2.626 0.000) 2.626 2.418 ( 0.000 0.990 0.000) 0.990 2.463 ( 0.000 0.593 0.000) 0.593 2.523 ( 0.000 -3.105 0.000) 3.105 2.679 ( 0.000 -1.244 0.000) 1.244 2.679 ( 0.000 -0.122 0.000) 0.122 2.786 ( 0.000 1.471 0.000) 1.471 2.860 ( 0.000 -4.964 0.000) 4.964 2.971 ( 0.000 4.099 0.000) 4.099 3.055 ( 0.000 -3.657 0.000) 3.657 3.210 ( 0.000 3.231 0.000) 3.231 3.240 ( 0.000 0.923 0.000) 0.923 3.433 ( 0.000 2.484 0.000) 2.484 3.466 ( 0.000 0.842 0.000) 0.842 3.487 ( 0.000 2.335 0.000) 2.335 3.524 ( 0.000 -0.482 0.000) 0.482 3.579 ( 0.000 1.799 0.000) 1.799 3.580 ( 0.000 3.140 0.000) 3.140 3.613 ( 0.000 0.831 0.000) 0.831 3.666 ( 0.000 -5.533 0.000) 5.533 3.721 ( 0.000 0.863 0.000) 0.863 3.774 ( 0.000 -3.182 0.000) 3.182 3.978 ( 0.000 3.847 0.000) 3.847 4.052 ( 0.000 -2.745 0.000) 2.745 4.314 ( 0.000 10.149 0.000) 10.149 4.499 ( 0.000 6.122 0.000) 6.122 4.518 ( 0.000 -8.717 0.000) 8.717 4.634 ( 0.000 -6.807 0.000) 6.807 5.003 ( 0.000 12.588 0.000) 12.588 5.031 ( 0.000 12.308 0.000) 12.308 5.263 ( 0.000 -10.067 0.000) 10.067 5.347 ( 0.000 -15.233 0.000) 15.233 5.753 ( 0.000 17.357 0.000) 17.357 6.105 ( 0.000 -15.072 0.000) 15.072 6.688 ( 0.000 1.225 0.000) 1.225 6.732 ( 0.000 -3.420 0.000) 3.420 7.006 ( 0.000 -0.262 0.000) 0.262 7.026 ( 0.000 -1.855 0.000) 1.855 7.462 ( 0.000 3.583 0.000) 3.583 7.491 ( 0.000 0.675 0.000) 0.675 7.946 ( 0.000 1.842 0.000) 1.842 7.986 ( 0.000 -1.760 0.000) 1.760 17.483 ( 0.000 0.717 0.000) 0.717 17.501 ( 0.000 -0.909 0.000) 0.909 17.633 ( 0.000 5.411 0.000) 5.411 17.751 ( 0.000 -5.590 0.000) 5.590 18.509 ( 0.000 2.077 0.000) 2.077 18.553 ( 0.000 -2.053 0.000) 2.053 19.144 ( 0.000 6.852 0.000) 6.852 19.282 ( 0.000 -6.069 0.000) 6.069 ======================= Grid point 19 (12/78) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 2.008 14.199 5.536) 15.372 0.772 ( 4.175 15.874 -2.069) 16.544 0.985 ( 1.824 -11.533 3.172) 12.100 1.097 ( 2.891 -13.635 -1.895) 14.067 1.293 ( 2.543 5.986 3.417) 7.347 1.355 ( 1.197 -1.310 1.226) 2.157 1.426 ( 2.568 5.161 -2.390) 6.240 1.509 ( -1.203 -2.154 -2.942) 3.840 1.562 ( 3.810 1.747 -4.156) 5.902 1.651 ( 2.137 -3.029 -1.520) 4.007 1.804 ( 4.389 1.902 0.022) 4.783 1.865 ( -0.422 -0.420 -2.826) 2.889 1.918 ( 1.941 1.298 2.057) 3.112 1.984 ( 3.076 -0.272 1.542) 3.452 2.000 ( -0.609 -1.265 -0.931) 1.685 2.024 ( -0.595 1.408 -1.310) 2.013 2.111 ( -2.545 -2.919 -0.883) 3.972 2.170 ( -2.481 2.249 -0.128) 3.351 2.182 ( 1.215 -5.608 0.710) 5.782 2.247 ( 0.281 -5.136 -2.161) 5.579 2.312 ( -0.613 1.668 2.537) 3.098 2.362 ( -0.981 -0.802 4.192) 4.380 2.385 ( 0.026 2.419 1.830) 3.033 2.453 ( 1.883 -2.211 3.394) 4.466 2.494 ( 1.846 0.675 0.723) 2.094 2.565 ( 3.725 -4.164 2.099) 5.968 2.655 ( -2.044 0.093 -0.572) 2.124 2.691 ( -1.582 -2.490 1.632) 3.371 2.809 ( 3.632 6.101 1.108) 7.186 2.911 ( 2.099 -1.406 -1.423) 2.900 2.999 ( 4.519 0.839 1.477) 4.828 3.060 ( 1.045 -3.799 -3.124) 5.028 3.193 ( 0.479 3.363 -5.706) 6.641 3.234 ( -0.497 0.038 0.134) 0.517 3.431 ( -0.469 1.877 -0.613) 2.029 3.445 ( -1.027 1.672 -3.250) 3.797 3.503 ( -0.462 -0.005 5.155) 5.176 3.510 ( 0.364 0.690 -0.818) 1.131 3.560 ( -0.173 1.378 -0.436) 1.456 3.599 ( 1.397 0.502 -2.354) 2.783 3.618 ( 0.123 1.883 -1.692) 2.534 3.668 ( -2.375 -1.421 -2.688) 3.858 3.717 ( 0.634 -2.014 6.361) 6.702 3.763 ( -2.495 -3.530 4.204) 6.029 3.975 ( -0.277 3.412 0.053) 3.424 4.035 ( -1.670 -2.050 0.488) 2.688 4.298 ( -3.334 9.499 0.792) 10.099 4.470 ( -2.460 -0.283 -5.151) 5.716 4.498 ( -3.320 -3.021 3.089) 5.449 4.564 ( -3.491 -3.347 -3.177) 5.787 4.972 ( 0.563 10.009 -5.937) 11.651 5.058 ( -1.295 12.446 6.393) 14.052 5.202 ( -3.304 -11.069 -5.097) 12.626 5.336 ( -3.276 -12.799 4.434) 13.936 5.671 ( -6.335 16.694 -0.512) 17.863 6.020 ( -8.213 -15.403 -0.177) 17.457 6.701 ( 1.258 1.158 -0.840) 1.905 6.736 ( 1.216 -2.417 -2.221) 3.501 7.010 ( 0.723 1.517 0.300) 1.707 7.057 ( 2.714 -2.908 0.660) 4.032 7.487 ( 1.494 2.635 1.874) 3.562 7.508 ( 0.589 0.480 1.247) 1.460 7.912 ( -3.117 2.220 0.871) 3.925 7.953 ( -3.004 -1.545 -0.719) 3.454 17.506 ( 1.750 0.536 -0.396) 1.872 17.515 ( 0.915 -0.164 -1.523) 1.784 17.670 ( 3.923 4.138 1.658) 5.938 17.763 ( 1.659 -4.397 0.382) 4.715 18.568 ( 4.462 1.742 2.877) 5.587 18.603 ( 3.265 -1.473 1.850) 4.032 19.068 ( -5.990 7.290 -3.447) 10.046 19.230 ( -3.809 -8.275 -3.122) 9.629 ======================= Grid point 20 (13/78) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 7.014 9.005 6.491) 13.131 0.854 ( 4.316 10.473 2.375) 11.574 1.063 ( 3.426 -8.363 4.223) 9.975 1.144 ( 4.271 -12.993 -4.218) 14.313 1.292 ( -1.046 3.079 0.707) 3.327 1.385 ( 0.601 -4.159 1.608) 4.499 1.462 ( 2.639 1.265 -1.375) 3.234 1.509 ( 2.365 -2.432 -3.170) 4.643 1.632 ( 1.085 1.565 -3.610) 4.082 1.661 ( 2.431 0.355 -2.570) 3.555 1.840 ( 3.265 2.382 -2.546) 4.776 1.884 ( -1.342 0.174 -2.618) 2.947 1.915 ( -1.502 -0.499 -0.806) 1.776 1.959 ( -3.010 -1.576 -0.665) 3.462 2.032 ( 3.693 0.389 0.377) 3.732 2.065 ( -0.165 -2.247 -0.700) 2.360 2.084 ( 5.147 7.336 1.427) 9.075 2.147 ( 2.986 6.786 1.702) 7.607 2.233 ( 0.464 -5.484 -2.328) 5.976 2.258 ( -0.000 1.619 3.749) 4.084 2.334 ( -0.146 -0.521 1.923) 1.997 2.393 ( -1.987 2.029 2.663) 3.893 2.407 ( 3.893 -5.884 4.502) 8.369 2.468 ( -0.938 -3.026 3.319) 4.588 2.562 ( 3.546 -0.403 0.467) 3.599 2.576 ( -1.721 0.340 1.056) 2.048 2.657 ( 0.530 -0.129 -0.516) 0.751 2.721 ( 5.464 -4.713 1.602) 7.391 2.864 ( 2.475 1.281 -1.889) 3.367 2.912 ( -1.121 -0.640 -2.998) 3.264 3.065 ( 1.504 1.902 -1.441) 2.820 3.094 ( 2.991 1.469 1.425) 3.625 3.163 ( 1.819 3.165 -5.382) 6.504 3.229 ( 0.743 -1.296 -0.441) 1.558 3.382 ( -3.141 1.148 -2.330) 4.076 3.400 ( -2.230 -0.390 -0.962) 2.460 3.519 ( -2.411 2.320 -3.497) 4.839 3.532 ( 0.129 0.929 1.208) 1.530 3.551 ( 2.085 0.106 2.677) 3.395 3.578 ( -2.100 0.455 0.667) 2.250 3.591 ( -3.372 0.515 0.770) 3.497 3.651 ( 4.873 -2.177 -2.934) 6.091 3.750 ( -2.267 -1.343 3.821) 4.642 3.784 ( 1.011 -2.165 4.995) 5.537 3.965 ( -1.794 2.952 0.650) 3.515 4.007 ( -2.328 -0.905 1.668) 3.004 4.181 ( -7.298 4.774 -1.455) 8.841 4.256 ( -12.507 -1.744 -4.970) 13.571 4.492 ( -2.312 2.879 1.175) 3.875 4.538 ( 2.249 -1.083 -0.171) 2.502 4.930 ( -2.012 5.688 -5.439) 8.123 5.025 ( -5.194 -0.702 2.203) 5.686 5.150 ( 0.741 0.657 -0.587) 1.151 5.298 ( -2.979 -8.590 2.059) 9.323 5.585 ( -2.011 10.759 0.917) 10.984 5.850 ( -8.637 -13.089 0.233) 15.683 6.708 ( 0.464 1.418 -1.528) 2.136 6.745 ( 1.008 -1.901 -1.214) 2.470 7.042 ( 2.209 3.625 0.940) 4.348 7.125 ( 3.460 -4.221 1.080) 5.564 7.500 ( -1.596 2.286 -0.339) 2.809 7.533 ( 0.910 -0.643 2.187) 2.454 7.860 ( -3.629 1.590 0.221) 3.969 7.890 ( -2.345 -1.018 0.982) 2.738 17.501 ( -0.209 0.797 -1.817) 1.995 17.522 ( 0.423 -1.141 -1.585) 1.999 17.788 ( 6.257 3.432 2.303) 7.499 17.835 ( 4.996 -1.065 1.837) 5.428 18.639 ( -0.343 2.233 -0.864) 2.419 18.677 ( 3.017 -1.299 1.543) 3.629 18.917 ( -5.612 8.239 -3.058) 10.427 19.127 ( -4.208 -11.559 -2.252) 12.505 ======================= Grid point 21 (14/78) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 2.728 6.026 1.242) 6.730 1.030 ( 4.670 0.037 8.465) 9.668 1.163 ( 5.100 -2.069 0.404) 5.518 1.197 ( 3.567 -5.641 0.413) 6.687 1.297 ( 1.208 4.370 -1.235) 4.698 1.397 ( -0.537 -3.002 -1.011) 3.213 1.484 ( 1.062 3.968 -4.138) 5.831 1.539 ( 1.905 -4.458 2.163) 5.308 1.622 ( 1.231 0.228 -0.010) 1.252 1.688 ( 2.750 -2.226 -1.161) 3.724 1.817 ( -3.713 1.672 0.053) 4.073 1.837 ( -1.662 0.953 -2.443) 3.104 1.865 ( -3.745 -2.355 -2.156) 4.921 1.905 ( 1.699 -4.824 -0.671) 5.158 2.031 ( -1.154 2.687 -5.202) 5.967 2.083 ( 0.271 -1.608 -1.300) 2.086 2.140 ( -0.578 2.237 -0.991) 2.514 2.189 ( -4.467 -1.971 -0.061) 4.883 2.233 ( -2.526 1.106 1.272) 3.037 2.295 ( 4.942 -2.700 0.950) 5.711 2.357 ( 1.223 3.350 2.094) 4.135 2.435 ( 0.691 -1.063 4.175) 4.363 2.481 ( 6.777 5.149 4.453) 9.606 2.526 ( 3.177 0.757 2.902) 4.369 2.560 ( 1.986 1.526 -1.357) 2.849 2.658 ( 3.817 -4.723 2.028) 6.402 2.724 ( 4.576 3.081 0.720) 5.563 2.790 ( 1.453 -2.624 -1.402) 3.311 2.857 ( 0.404 1.896 -2.325) 3.027 2.941 ( 5.522 -5.488 1.028) 7.853 3.039 ( -1.045 3.309 -2.118) 4.066 3.089 ( -2.977 -0.993 -1.778) 3.607 3.216 ( 4.533 4.271 -2.544) 6.728 3.275 ( 3.729 -1.072 0.507) 3.913 3.303 ( -3.598 2.069 -0.247) 4.158 3.344 ( -3.466 -1.298 0.946) 3.820 3.408 ( -6.734 4.326 -2.617) 8.421 3.480 ( -4.831 -2.626 0.885) 5.569 3.561 ( -0.576 1.192 -0.667) 1.483 3.579 ( 0.265 0.596 0.091) 0.659 3.616 ( 2.867 2.334 1.039) 3.840 3.720 ( 3.649 -5.570 -2.920) 7.271 3.743 ( 0.245 4.396 1.492) 4.649 3.804 ( -2.527 0.787 1.847) 3.227 3.887 ( -8.024 0.384 4.148) 9.041 3.924 ( -6.461 -3.314 -0.568) 7.283 4.073 ( -1.588 1.839 -1.963) 3.124 4.092 ( -1.014 0.452 -0.858) 1.403 4.446 ( -2.277 6.193 0.366) 6.608 4.586 ( 1.140 -5.730 1.963) 6.163 4.822 ( -4.363 5.688 -2.578) 7.618 4.948 ( -3.289 -6.063 -2.253) 7.256 5.164 ( 0.284 3.687 0.545) 3.737 5.267 ( -1.423 -5.892 0.831) 6.119 5.608 ( 2.464 4.282 1.375) 5.128 5.734 ( -4.049 -7.248 0.688) 8.331 6.701 ( -0.092 1.750 -0.755) 1.909 6.751 ( 0.342 -2.546 -0.483) 2.613 7.101 ( 2.834 3.529 1.468) 4.758 7.185 ( 1.982 -4.509 0.390) 4.941 7.445 ( -3.170 4.942 -0.951) 5.948 7.554 ( 0.178 -4.778 0.819) 4.851 7.792 ( -2.759 4.879 -0.424) 5.621 7.879 ( -0.571 -3.205 1.605) 3.630 17.489 ( 0.075 0.230 -0.987) 1.017 17.510 ( -0.295 -1.809 -1.237) 2.211 17.914 ( 4.974 4.881 1.838) 7.208 17.953 ( 5.191 1.351 2.186) 5.792 18.580 ( -3.071 2.474 -3.264) 5.119 18.628 ( -5.470 -1.485 -3.264) 6.541 18.903 ( 2.932 4.204 1.844) 5.447 19.055 ( -2.748 -9.471 -0.330) 9.867 ======================= Grid point 22 (15/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 4.832 0.000) 4.832 1.103 ( 0.000 -6.896 0.000) 6.896 1.233 ( -0.000 1.369 0.000) 1.369 1.262 ( 0.000 -1.815 0.000) 1.815 1.294 ( -0.000 6.722 -0.000) 6.722 1.356 ( 0.000 0.777 0.000) 0.777 1.484 ( 0.000 2.184 0.000) 2.184 1.562 ( -0.000 -7.784 0.000) 7.784 1.692 ( 0.000 0.377 0.000) 0.377 1.700 ( -0.000 3.104 -0.000) 3.104 1.771 ( -0.000 -4.363 -0.000) 4.363 1.778 ( 0.000 -3.272 0.000) 3.272 1.839 ( -0.000 6.374 0.000) 6.374 1.942 ( 0.000 -3.018 0.000) 3.018 1.994 ( -0.000 2.208 0.000) 2.208 2.023 ( 0.000 -0.393 0.000) 0.393 2.110 ( 0.000 -4.541 0.000) 4.541 2.133 ( 0.000 -6.679 -0.000) 6.679 2.238 ( 0.000 4.290 0.000) 4.290 2.348 ( 0.000 -5.115 0.000) 5.115 2.360 ( 0.000 5.444 -0.000) 5.444 2.454 ( 0.000 -2.854 0.000) 2.854 2.556 ( 0.000 2.643 0.000) 2.643 2.588 ( 0.000 -1.589 0.000) 1.589 2.619 ( 0.000 4.560 0.000) 4.560 2.696 ( 0.000 -1.271 -0.000) 1.271 2.774 ( 0.000 -0.668 -0.000) 0.668 2.795 ( 0.000 -2.382 0.000) 2.382 2.943 ( -0.000 4.959 -0.000) 4.959 2.964 ( 0.000 3.675 0.000) 3.675 3.029 ( 0.000 0.754 -0.000) 0.754 3.033 ( -0.000 1.076 0.000) 1.076 3.251 ( 0.000 3.337 -0.000) 3.337 3.253 ( -0.000 2.850 0.000) 2.850 3.279 ( 0.000 5.542 -0.000) 5.542 3.320 ( 0.000 -1.542 0.000) 1.542 3.381 ( 0.000 -6.424 0.000) 6.424 3.389 ( -0.000 -3.885 -0.000) 3.885 3.550 ( 0.000 1.291 -0.000) 1.291 3.576 ( 0.000 -0.707 0.000) 0.707 3.652 ( 0.000 3.737 0.000) 3.737 3.735 ( 0.000 -2.713 -0.000) 2.713 3.754 ( -0.000 2.623 0.000) 2.623 3.776 ( 0.000 1.162 0.000) 1.162 3.793 ( -0.000 2.942 0.000) 2.942 3.886 ( 0.000 -6.213 0.000) 6.213 4.066 ( 0.000 1.724 0.000) 1.724 4.086 ( 0.000 0.292 0.000) 0.292 4.426 ( 0.000 7.030 0.000) 7.030 4.601 ( 0.000 -9.093 0.000) 9.093 4.771 ( 0.000 6.954 -0.000) 6.954 4.898 ( 0.000 -5.425 0.000) 5.425 5.168 ( 0.000 2.706 0.000) 2.706 5.257 ( 0.000 -6.156 0.000) 6.156 5.648 ( -0.000 1.636 0.000) 1.636 5.699 ( 0.000 -3.172 0.000) 3.172 6.697 ( 0.000 1.741 0.000) 1.741 6.752 ( 0.000 -2.960 0.000) 2.960 7.145 ( 0.000 1.634 0.000) 1.634 7.200 ( 0.000 -3.608 0.000) 3.608 7.403 ( 0.000 7.085 0.000) 7.085 7.558 ( 0.000 -7.270 -0.000) 7.270 7.764 ( 0.000 6.979 0.000) 6.979 7.881 ( 0.000 -4.159 0.000) 4.159 17.487 ( 0.000 -0.269 0.000) 0.269 17.501 ( -0.000 -1.697 -0.000) 1.697 17.973 ( 0.000 6.206 0.000) 6.206 18.020 ( 0.000 2.288 0.000) 2.288 18.531 ( 0.000 0.621 0.000) 0.621 18.546 ( -0.000 -0.726 0.000) 0.726 18.956 ( 0.000 -0.278 0.000) 0.278 19.017 ( 0.000 -5.540 0.000) 5.540 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 8.467 0.000 14.882) 17.122 0.354 ( 1.275 0.000 18.416) 18.460 0.607 ( -2.039 0.000 31.387) 31.453 1.234 ( -1.291 0.000 2.978) 3.246 1.307 ( -6.203 0.000 -10.280) 12.006 1.471 ( 1.219 0.000 1.629) 2.034 1.520 ( 2.640 0.000 -6.431) 6.952 1.541 ( -3.021 0.000 -4.329) 5.278 1.667 ( 3.182 0.000 3.852) 4.997 1.737 ( 2.357 0.000 0.206) 2.366 1.797 ( -4.669 0.000 -3.894) 6.080 1.811 ( 2.161 0.000 3.657) 4.248 1.889 ( 1.177 0.000 0.944) 1.509 1.924 ( -2.899 0.000 -5.081) 5.850 1.971 ( -1.479 0.000 4.455) 4.695 1.980 ( -1.784 0.000 2.182) 2.818 2.184 ( 1.872 0.000 5.789) 6.084 2.201 ( 2.417 0.000 -4.291) 4.925 2.244 ( -2.635 0.000 5.822) 6.390 2.277 ( -1.940 0.000 -0.434) 1.988 2.297 ( 1.679 0.000 2.550) 3.053 2.314 ( -2.204 0.000 1.623) 2.737 2.481 ( 2.344 0.000 -1.330) 2.695 2.488 ( 2.952 0.000 -4.132) 5.078 2.634 ( 2.170 0.000 1.460) 2.616 2.681 ( -0.054 0.000 3.648) 3.648 2.738 ( 1.423 0.000 -15.179) 15.246 2.742 ( -1.160 0.000 3.186) 3.390 2.792 ( 1.630 0.000 -4.782) 5.053 2.848 ( -4.769 0.000 -5.653) 7.396 2.947 ( -0.502 0.000 1.870) 1.936 3.012 ( 1.266 0.000 0.901) 1.554 3.112 ( -2.682 0.000 -3.047) 4.059 3.162 ( 2.371 0.000 0.263) 2.385 3.246 ( 0.637 0.000 -1.494) 1.624 3.364 ( 0.999 0.000 0.387) 1.071 3.401 ( 2.703 0.000 -1.085) 2.912 3.429 ( 0.687 0.000 -5.099) 5.145 3.511 ( 1.473 0.000 1.346) 1.995 3.614 ( 0.815 0.000 4.507) 4.580 3.646 ( -0.686 0.000 4.276) 4.331 3.708 ( -0.145 0.000 -2.082) 2.087 3.858 ( -1.176 0.000 2.183) 2.480 3.928 ( -1.519 0.000 -0.558) 1.618 4.003 ( 2.640 0.000 -3.288) 4.217 4.081 ( -0.083 0.000 -1.731) 1.733 4.106 ( 2.983 0.000 6.988) 7.598 4.196 ( 5.013 0.000 1.523) 5.239 4.570 ( 1.094 0.000 -4.361) 4.496 4.687 ( -7.681 0.000 -1.557) 7.837 4.702 ( -4.487 0.000 2.709) 5.241 4.913 ( -2.242 0.000 3.528) 4.181 5.224 ( -0.175 0.000 -2.030) 2.038 5.419 ( 1.921 0.000 -10.133) 10.314 5.848 ( -1.892 0.000 9.506) 9.693 6.436 ( -0.321 0.000 0.056) 0.326 6.695 ( -2.221 0.000 2.917) 3.666 6.999 ( -0.698 0.000 -2.260) 2.365 7.102 ( 3.422 0.000 -0.928) 3.545 7.182 ( -14.894 0.000 -3.082) 15.210 7.341 ( -5.254 0.000 3.487) 6.306 7.425 ( 2.914 0.000 1.746) 3.397 8.005 ( 1.295 0.000 -0.197) 1.310 8.016 ( -2.164 0.000 -0.430) 2.206 17.474 ( 0.869 0.000 0.215) 0.895 17.499 ( -1.260 0.000 -0.281) 1.291 17.547 ( -0.417 0.000 2.266) 2.304 17.862 ( -0.024 0.000 -2.790) 2.790 18.469 ( 3.018 0.000 1.347) 3.305 18.605 ( -2.170 0.000 -0.921) 2.357 18.744 ( 35.814 0.000 0.904) 35.825 18.935 ( -2.661 0.000 -2.160) 3.428 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 8.589 0.000 15.157) 17.421 0.594 ( 7.348 0.000 16.955) 18.479 0.998 ( 19.603 0.000 21.382) 29.008 1.153 ( -0.511 0.000 -11.526) 11.538 1.271 ( 2.017 0.000 2.333) 3.084 1.424 ( -2.632 0.000 -8.022) 8.443 1.505 ( 0.168 0.000 4.640) 4.643 1.583 ( 5.998 0.000 -4.296) 7.378 1.632 ( -7.835 0.000 -5.831) 9.767 1.745 ( 3.041 0.000 2.068) 3.677 1.812 ( 3.215 0.000 2.265) 3.933 1.835 ( -2.958 0.000 -0.235) 2.968 1.868 ( -3.942 0.000 -3.270) 5.122 1.907 ( 1.350 0.000 3.802) 4.034 1.979 ( -0.753 0.000 0.523) 0.917 1.990 ( 4.465 0.000 2.356) 5.049 2.193 ( -3.049 0.000 3.301) 4.494 2.215 ( -3.144 0.000 -1.006) 3.301 2.229 ( 1.765 0.000 -3.032) 3.509 2.229 ( -2.256 0.000 3.474) 4.143 2.309 ( 1.586 0.000 1.320) 2.063 2.384 ( 3.155 0.000 4.085) 5.162 2.463 ( -2.699 0.000 -0.575) 2.759 2.496 ( 0.189 0.000 -0.927) 0.946 2.625 ( -2.314 0.000 0.910) 2.486 2.661 ( 2.145 0.000 -15.778) 15.923 2.698 ( -5.279 0.000 0.197) 5.283 2.753 ( 2.834 0.000 1.124) 3.049 2.799 ( 5.375 0.000 4.337) 6.906 2.802 ( 2.390 0.000 -9.623) 9.916 2.966 ( 0.477 0.000 1.206) 1.297 3.016 ( -3.309 0.000 -1.958) 3.845 3.022 ( 0.354 0.000 -4.685) 4.698 3.214 ( 4.217 0.000 1.266) 4.403 3.254 ( 0.873 0.000 -1.444) 1.687 3.400 ( 1.283 0.000 -0.950) 1.596 3.415 ( 2.776 0.000 -3.793) 4.700 3.499 ( 4.046 0.000 -1.696) 4.387 3.541 ( 0.971 0.000 0.536) 1.109 3.641 ( -1.410 0.000 0.759) 1.601 3.672 ( -2.159 0.000 1.385) 2.565 3.674 ( -0.705 0.000 6.218) 6.258 3.825 ( -4.060 0.000 2.475) 4.755 3.904 ( -0.556 0.000 -1.410) 1.516 3.984 ( -2.556 0.000 -2.347) 3.470 4.035 ( -2.786 0.000 -1.832) 3.335 4.208 ( 1.457 0.000 7.416) 7.558 4.278 ( 1.981 0.000 -0.900) 2.176 4.458 ( -12.646 0.000 1.527) 12.738 4.563 ( -6.333 0.000 1.221) 6.450 4.631 ( 4.633 0.000 -5.153) 6.930 4.948 ( 1.817 0.000 4.660) 5.002 5.253 ( 3.841 0.000 -3.497) 5.194 5.330 ( -2.012 0.000 -9.347) 9.561 5.802 ( -9.464 0.000 10.018) 13.781 6.409 ( -6.416 0.000 1.342) 6.555 6.710 ( 0.129 0.000 2.851) 2.854 6.859 ( -10.802 0.000 1.768) 10.946 6.946 ( -1.822 0.000 -1.930) 2.654 7.224 ( 7.224 0.000 1.571) 7.392 7.352 ( -0.401 0.000 3.340) 3.364 7.520 ( 4.965 0.000 2.748) 5.675 7.921 ( -6.916 0.000 -2.418) 7.327 7.953 ( -2.916 0.000 4.198) 5.111 17.489 ( 0.565 0.000 -0.906) 1.068 17.515 ( 2.791 0.000 1.256) 3.061 17.580 ( 1.961 0.000 2.246) 2.982 17.830 ( -0.848 0.000 -2.962) 3.081 18.549 ( -2.139 0.000 -2.744) 3.479 18.584 ( 7.092 0.000 2.852) 7.644 18.828 ( -5.566 0.000 -4.443) 7.122 19.280 ( 19.173 0.000 -16.759) 25.465 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 5.475 0.000 17.557) 18.391 0.859 ( 8.901 0.000 11.410) 14.471 1.126 ( 5.545 0.000 -8.368) 10.038 1.280 ( -5.643 0.000 -8.644) 10.323 1.298 ( -1.255 0.000 1.954) 2.322 1.405 ( -0.544 0.000 0.256) 0.601 1.549 ( 10.013 0.000 2.848) 10.410 1.580 ( 3.737 0.000 5.683) 6.801 1.668 ( 1.478 0.000 -2.531) 2.931 1.763 ( -4.498 0.000 -0.758) 4.562 1.770 ( 1.854 0.000 -1.046) 2.129 1.838 ( 1.017 0.000 4.169) 4.292 1.841 ( 5.419 0.000 1.787) 5.706 1.941 ( -2.050 0.000 -1.192) 2.372 1.978 ( 3.681 0.000 0.949) 3.801 2.097 ( -1.023 0.000 -0.740) 1.263 2.177 ( -2.432 0.000 5.524) 6.036 2.182 ( -0.231 0.000 1.473) 1.491 2.196 ( 1.762 0.000 3.181) 3.636 2.234 ( 1.499 0.000 -3.349) 3.670 2.370 ( -4.870 0.000 -2.906) 5.671 2.375 ( 3.342 0.000 2.043) 3.917 2.465 ( -1.009 0.000 4.138) 4.259 2.502 ( 3.957 0.000 0.920) 4.062 2.594 ( 3.802 0.000 -13.894) 14.405 2.600 ( -0.570 0.000 0.778) 0.964 2.653 ( -2.687 0.000 3.398) 4.332 2.770 ( 2.244 0.000 -7.631) 7.954 2.806 ( 3.124 0.000 -1.654) 3.534 2.927 ( 5.158 0.000 1.158) 5.286 2.946 ( -2.554 0.000 -2.067) 3.286 2.961 ( -1.376 0.000 -0.176) 1.387 2.995 ( 1.702 0.000 -6.384) 6.607 3.248 ( -0.726 0.000 -0.896) 1.153 3.343 ( 5.856 0.000 3.868) 7.018 3.369 ( -0.861 0.000 -4.189) 4.277 3.417 ( -9.921 0.000 -6.469) 11.844 3.496 ( 5.237 0.000 0.362) 5.250 3.552 ( 0.345 0.000 -0.644) 0.730 3.616 ( -0.120 0.000 1.646) 1.650 3.667 ( -1.898 0.000 3.497) 3.979 3.702 ( -1.638 0.000 6.514) 6.716 3.750 ( -5.748 0.000 2.362) 6.214 3.887 ( -0.144 0.000 -1.062) 1.071 3.888 ( -5.519 0.000 -1.539) 5.730 3.986 ( -1.104 0.000 -0.310) 1.147 4.155 ( -9.161 0.000 -3.699) 9.880 4.247 ( -3.263 0.000 4.984) 5.957 4.400 ( 1.446 0.000 3.504) 3.791 4.425 ( -4.882 0.000 -2.243) 5.373 4.738 ( 6.753 0.000 -1.284) 6.874 5.030 ( 3.065 0.000 4.254) 5.243 5.152 ( -5.244 0.000 -9.328) 10.701 5.363 ( 6.342 0.000 -2.328) 6.756 5.700 ( -8.605 0.000 10.068) 13.245 6.181 ( -14.877 0.000 -2.435) 15.075 6.729 ( -0.196 0.000 3.074) 3.080 6.810 ( 0.016 0.000 2.859) 2.859 6.936 ( 1.885 0.000 0.151) 1.891 7.341 ( 3.614 0.000 1.269) 3.830 7.358 ( -0.679 0.000 1.368) 1.527 7.638 ( 5.286 0.000 1.696) 5.552 7.727 ( -10.850 0.000 -3.718) 11.469 7.955 ( -0.549 0.000 3.156) 3.203 17.504 ( 1.541 0.000 -0.448) 1.605 17.585 ( 3.029 0.000 2.057) 3.662 17.641 ( 2.859 0.000 1.192) 3.097 17.794 ( -0.731 0.000 -2.427) 2.535 18.496 ( -0.937 0.000 -2.889) 3.037 18.692 ( -5.142 0.000 -3.266) 6.092 18.756 ( 8.878 0.000 2.153) 9.136 19.338 ( 1.257 0.000 -10.793) 10.866 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.866 0.000 5.739) 6.920 1.056 ( 1.960 0.000 15.442) 15.566 1.127 ( -1.068 0.000 -5.804) 5.902 1.214 ( 5.711 0.000 -1.183) 5.832 1.285 ( -7.564 0.000 -0.956) 7.624 1.290 ( 0.542 0.000 2.586) 2.642 1.603 ( -4.503 0.000 -0.742) 4.564 1.608 ( -1.448 0.000 -0.281) 1.475 1.695 ( 5.575 0.000 -7.154) 9.070 1.731 ( 1.308 0.000 1.112) 1.717 1.799 ( 1.835 0.000 0.414) 1.881 1.875 ( 0.463 0.000 3.333) 3.365 1.893 ( -0.447 0.000 -0.124) 0.464 1.994 ( -4.258 0.000 -1.422) 4.489 2.045 ( 1.865 0.000 3.284) 3.776 2.137 ( -5.471 0.000 0.822) 5.532 2.145 ( 5.505 0.000 5.262) 7.615 2.193 ( 1.229 0.000 6.686) 6.798 2.231 ( 1.543 0.000 -2.642) 3.059 2.274 ( 1.162 0.000 -0.012) 1.162 2.348 ( 4.459 0.000 0.262) 4.466 2.439 ( 1.421 0.000 -2.070) 2.511 2.502 ( 7.582 0.000 9.584) 12.221 2.568 ( -5.891 0.000 -2.583) 6.433 2.600 ( 2.770 0.000 0.845) 2.896 2.652 ( 9.452 0.000 -6.666) 11.566 2.653 ( 6.494 0.000 1.085) 6.584 2.779 ( 3.590 0.000 -8.086) 8.847 2.816 ( 0.044 0.000 -4.502) 4.502 2.903 ( -0.398 0.000 0.318) 0.510 2.921 ( -4.487 0.000 -1.181) 4.640 2.996 ( 1.423 0.000 0.218) 1.440 3.006 ( 3.621 0.000 -4.144) 5.503 3.107 ( -13.711 0.000 -5.976) 14.957 3.221 ( -1.696 0.000 1.141) 2.044 3.313 ( -2.424 0.000 -1.958) 3.117 3.453 ( 2.662 0.000 2.904) 3.940 3.546 ( 0.216 0.000 -1.770) 1.784 3.593 ( 4.074 0.000 -0.267) 4.083 3.613 ( -2.913 0.000 2.248) 3.680 3.642 ( -1.624 0.000 -0.075) 1.626 3.653 ( -5.120 0.000 1.422) 5.314 3.710 ( -2.678 0.000 5.448) 6.071 3.781 ( -4.272 0.000 -0.695) 4.328 3.865 ( -3.699 0.000 1.699) 4.071 3.970 ( 0.888 0.000 -2.597) 2.745 4.046 ( 0.383 0.000 -2.222) 2.255 4.159 ( -6.108 0.000 -0.260) 6.114 4.379 ( 0.020 0.000 -1.883) 1.883 4.457 ( 1.174 0.000 2.159) 2.457 4.837 ( 3.606 0.000 2.902) 4.629 5.016 ( -2.132 0.000 -3.883) 4.430 5.108 ( 1.822 0.000 3.218) 3.698 5.471 ( 6.777 0.000 -2.152) 7.110 5.635 ( -5.957 0.000 7.146) 9.304 5.896 ( -11.802 0.000 -4.292) 12.558 6.741 ( -0.826 0.000 2.470) 2.604 6.838 ( 0.149 0.000 3.296) 3.300 7.014 ( 4.983 0.000 1.252) 5.137 7.351 ( -0.646 0.000 0.270) 0.700 7.361 ( -3.006 0.000 -0.775) 3.104 7.496 ( -6.168 0.000 -6.662) 9.079 7.738 ( 2.587 0.000 3.451) 4.313 7.963 ( -0.754 0.000 1.664) 1.827 17.534 ( 1.415 0.000 0.440) 1.482 17.643 ( 1.332 0.000 1.610) 2.089 17.690 ( 1.780 0.000 -0.337) 1.812 17.769 ( -0.109 0.000 -1.802) 1.805 18.483 ( 1.414 0.000 -0.916) 1.685 18.609 ( -2.666 0.000 0.970) 2.837 18.933 ( 8.756 0.000 0.067) 8.756 19.229 ( -4.566 0.000 -7.417) 8.710 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -9.388 0.000 2.203) 9.643 1.052 ( -5.849 0.000 -0.830) 5.907 1.183 ( 1.402 0.000 -1.890) 2.353 1.247 ( -1.737 0.000 3.000) 3.467 1.301 ( 6.214 0.000 12.336) 13.812 1.363 ( 1.358 0.000 3.465) 3.721 1.576 ( 1.894 0.000 1.251) 2.270 1.606 ( 0.702 0.000 0.141) 0.716 1.691 ( -1.152 0.000 -4.640) 4.781 1.717 ( 2.989 0.000 -5.401) 6.173 1.840 ( 1.000 0.000 1.673) 1.949 1.923 ( 0.312 0.000 5.432) 5.441 1.927 ( 3.067 0.000 0.601) 3.125 1.947 ( 0.262 0.000 -2.070) 2.087 2.038 ( -4.308 0.000 1.501) 4.562 2.143 ( 2.964 0.000 5.886) 6.590 2.151 ( -3.777 0.000 0.543) 3.816 2.183 ( -1.806 0.000 5.611) 5.895 2.269 ( -0.227 0.000 0.521) 0.568 2.288 ( 0.057 0.000 1.326) 1.327 2.408 ( -4.079 0.000 -2.820) 4.959 2.413 ( -3.497 0.000 -3.781) 5.151 2.446 ( 1.405 0.000 -1.736) 2.233 2.552 ( -13.218 0.000 -4.031) 13.819 2.653 ( -4.088 0.000 0.402) 4.108 2.679 ( -4.685 0.000 -4.874) 6.760 2.721 ( -1.433 0.000 -5.133) 5.329 2.791 ( 7.355 0.000 -9.014) 11.634 2.863 ( 9.916 0.000 1.304) 10.001 2.880 ( 10.165 0.000 5.148) 11.394 2.954 ( 6.727 0.000 0.055) 6.727 2.987 ( -0.063 0.000 -2.884) 2.885 3.040 ( 4.781 0.000 4.838) 6.802 3.095 ( 6.592 0.000 0.716) 6.631 3.209 ( -0.389 0.000 0.786) 0.877 3.263 ( -2.956 0.000 2.851) 4.107 3.501 ( 1.540 0.000 -0.542) 1.633 3.523 ( -1.039 0.000 -2.573) 2.775 3.540 ( -6.054 0.000 2.624) 6.598 3.559 ( -2.816 0.000 -2.935) 4.067 3.607 ( -1.636 0.000 -2.686) 3.145 3.642 ( -0.853 0.000 -0.173) 0.870 3.699 ( -1.247 0.000 3.098) 3.340 3.756 ( 1.201 0.000 2.249) 2.550 3.823 ( -0.405 0.000 1.448) 1.503 3.990 ( 2.610 0.000 -2.831) 3.851 4.044 ( -0.062 0.000 -0.961) 0.963 4.060 ( -2.607 0.000 -3.945) 4.729 4.375 ( 1.209 0.000 -0.815) 1.458 4.435 ( -3.403 0.000 -1.732) 3.819 4.926 ( 1.863 0.000 6.207) 6.481 5.075 ( 7.562 0.000 5.170) 9.160 5.139 ( -0.372 0.000 2.589) 2.615 5.530 ( -1.057 0.000 -3.883) 4.024 5.552 ( -7.170 0.000 2.043) 7.456 5.751 ( 2.531 0.000 -3.543) 4.354 6.739 ( -0.975 0.000 2.083) 2.300 6.860 ( -0.791 0.000 4.195) 4.269 7.037 ( -4.183 0.000 -2.922) 5.103 7.300 ( 2.831 0.000 -1.151) 3.056 7.336 ( -0.861 0.000 -0.678) 1.096 7.434 ( 0.733 0.000 -4.667) 4.725 7.792 ( 0.641 0.000 4.042) 4.092 7.949 ( -1.540 0.000 0.283) 1.566 17.555 ( 0.092 0.000 1.132) 1.136 17.649 ( -1.519 0.000 0.493) 1.597 17.699 ( -0.089 0.000 -1.333) 1.336 17.766 ( 1.046 0.000 -1.259) 1.637 18.545 ( 4.527 0.000 2.692) 5.267 18.599 ( -0.848 0.000 4.155) 4.241 18.986 ( -4.828 0.000 -5.405) 7.247 19.168 ( 6.637 0.000 -3.629) 7.565 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -13.693 0.000 5.466) 14.743 0.861 ( -12.178 0.000 -2.666) 12.466 1.244 ( 0.580 0.000 2.281) 2.354 1.285 ( 9.057 0.000 -1.611) 9.199 1.384 ( -1.322 0.000 4.064) 4.274 1.484 ( 2.251 0.000 9.049) 9.325 1.522 ( -5.580 0.000 -1.125) 5.692 1.602 ( -3.096 0.000 -0.696) 3.174 1.724 ( 0.673 0.000 -2.939) 3.015 1.777 ( 7.788 0.000 0.612) 7.812 1.867 ( 0.073 0.000 3.425) 3.426 1.891 ( -4.810 0.000 1.905) 5.174 1.938 ( -6.968 0.000 1.261) 7.082 1.940 ( -0.997 0.000 -2.237) 2.449 2.021 ( -6.882 0.000 -2.511) 7.326 2.071 ( 4.206 0.000 3.854) 5.705 2.165 ( -4.762 0.000 1.604) 5.025 2.184 ( -2.036 0.000 0.703) 2.153 2.198 ( -0.359 0.000 2.858) 2.881 2.220 ( -6.756 0.000 -2.322) 7.144 2.288 ( -0.757 0.000 -0.610) 0.972 2.379 ( 0.905 0.000 1.214) 1.514 2.433 ( -1.313 0.000 -0.988) 1.643 2.435 ( 2.203 0.000 -4.886) 5.360 2.554 ( -5.137 0.000 -2.420) 5.678 2.646 ( -0.701 0.000 2.039) 2.156 2.702 ( 3.977 0.000 -1.049) 4.113 2.837 ( -5.503 0.000 -3.604) 6.578 2.877 ( 6.118 0.000 -2.677) 6.678 2.974 ( 2.537 0.000 -1.440) 2.917 3.013 ( -0.567 0.000 0.559) 0.796 3.090 ( 5.430 0.000 0.381) 5.443 3.164 ( -0.372 0.000 -1.698) 1.739 3.235 ( 3.290 0.000 0.946) 3.423 3.281 ( 2.367 0.000 1.906) 3.039 3.346 ( 14.983 0.000 5.208) 15.863 3.433 ( -6.584 0.000 0.552) 6.607 3.477 ( -2.481 0.000 -2.218) 3.328 3.497 ( 0.302 0.000 -3.101) 3.116 3.508 ( 0.587 0.000 -1.962) 2.048 3.551 ( -1.415 0.000 -1.513) 2.071 3.622 ( -0.711 0.000 -0.429) 0.831 3.705 ( -0.405 0.000 3.531) 3.554 3.817 ( 3.267 0.000 0.963) 3.406 3.868 ( 3.400 0.000 0.685) 3.469 3.996 ( -1.083 0.000 -0.057) 1.084 4.000 ( 0.063 0.000 -5.835) 5.835 4.085 ( 6.670 0.000 -0.269) 6.676 4.350 ( -3.272 0.000 -2.106) 3.891 4.431 ( 4.392 0.000 1.489) 4.638 4.940 ( -5.276 0.000 3.098) 6.119 5.187 ( 1.194 0.000 8.595) 8.678 5.297 ( 9.141 0.000 6.107) 10.993 5.409 ( -5.674 0.000 -3.525) 6.680 5.423 ( -4.244 0.000 -4.089) 5.893 5.888 ( 12.064 0.000 -2.789) 12.382 6.743 ( -0.688 0.000 3.308) 3.379 6.879 ( -0.911 0.000 6.204) 6.271 6.932 ( -2.443 0.000 -2.458) 3.465 7.308 ( -1.220 0.000 -1.664) 2.064 7.340 ( -1.021 0.000 -1.468) 1.788 7.427 ( 3.677 0.000 -7.015) 7.921 7.846 ( 1.871 0.000 5.610) 5.914 7.909 ( -2.564 0.000 -0.969) 2.741 17.553 ( -1.176 0.000 1.244) 1.711 17.602 ( -3.370 0.000 -0.196) 3.376 17.669 ( -2.042 0.000 -1.097) 2.318 17.789 ( 2.105 0.000 -0.818) 2.258 18.617 ( -0.708 0.000 5.388) 5.434 18.688 ( 6.820 0.000 4.343) 8.086 18.800 ( -8.573 0.000 -5.996) 10.462 19.294 ( 9.141 0.000 -7.393) 11.757 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -14.393 0.000 10.053) 17.556 0.594 ( -14.653 0.000 0.193) 14.655 1.174 ( -27.554 0.000 -3.144) 27.732 1.308 ( 3.359 0.000 2.758) 4.346 1.369 ( -3.162 0.000 -0.608) 3.220 1.444 ( -1.613 0.000 4.500) 4.781 1.445 ( 7.425 0.000 -3.200) 8.085 1.663 ( 2.726 0.000 8.955) 9.360 1.696 ( -0.342 0.000 -3.419) 3.437 1.785 ( -5.042 0.000 -0.481) 5.065 1.859 ( -4.019 0.000 -4.104) 5.745 1.882 ( -0.625 0.000 4.653) 4.695 1.922 ( 3.379 0.000 0.332) 3.395 1.925 ( 0.229 0.000 2.831) 2.840 1.959 ( -8.057 0.000 -4.274) 9.121 1.979 ( 0.578 0.000 -0.534) 0.788 2.133 ( -2.951 0.000 0.468) 2.988 2.158 ( -4.469 0.000 4.517) 6.354 2.197 ( 4.315 0.000 3.269) 5.413 2.251 ( 4.434 0.000 -1.360) 4.638 2.271 ( -1.364 0.000 1.356) 1.923 2.351 ( 1.823 0.000 -3.653) 4.082 2.412 ( -0.003 0.000 -1.845) 1.845 2.463 ( -4.460 0.000 1.059) 4.584 2.570 ( 8.740 0.000 1.723) 8.909 2.643 ( -0.802 0.000 0.331) 0.867 2.715 ( -3.885 0.000 -3.514) 5.238 2.806 ( 5.673 0.000 1.676) 5.915 2.933 ( -7.507 0.000 2.324) 7.859 2.940 ( 2.118 0.000 -4.513) 4.985 2.972 ( -0.627 0.000 -5.005) 5.044 3.086 ( -1.621 0.000 -4.580) 4.858 3.178 ( 0.813 0.000 0.890) 1.205 3.256 ( -1.685 0.000 -1.895) 2.536 3.306 ( -5.217 0.000 -2.631) 5.843 3.336 ( 4.402 0.000 -2.532) 5.078 3.431 ( -1.247 0.000 0.569) 1.370 3.494 ( 0.220 0.000 0.852) 0.880 3.525 ( 2.230 0.000 -0.309) 2.251 3.533 ( 1.570 0.000 -0.691) 1.715 3.601 ( -1.261 0.000 0.992) 1.604 3.612 ( 6.747 0.000 2.063) 7.056 3.748 ( 2.677 0.000 2.307) 3.534 3.894 ( 4.461 0.000 0.636) 4.506 3.952 ( 5.621 0.000 -1.119) 5.731 3.977 ( 1.540 0.000 -4.398) 4.660 3.982 ( -0.482 0.000 1.346) 1.430 4.215 ( 1.523 0.000 -1.354) 2.037 4.351 ( 7.855 0.000 4.140) 8.879 4.537 ( 5.123 0.000 1.012) 5.222 4.817 ( -7.908 0.000 0.967) 7.967 5.142 ( -10.606 0.000 5.708) 12.045 5.306 ( -2.986 0.000 -4.578) 5.466 5.469 ( 4.029 0.000 0.155) 4.032 5.470 ( 10.884 0.000 2.966) 11.281 6.129 ( 14.701 0.000 -0.602) 14.714 6.761 ( -1.102 0.000 5.430) 5.541 6.923 ( 2.201 0.000 -0.605) 2.283 6.948 ( 2.105 0.000 12.392) 12.569 7.255 ( -4.624 0.000 -4.369) 6.362 7.267 ( -1.634 0.000 -1.784) 2.419 7.427 ( 0.615 0.000 -4.489) 4.531 7.838 ( -3.764 0.000 -2.018) 4.271 7.939 ( 3.431 0.000 4.267) 5.475 17.534 ( -3.344 0.000 -0.423) 3.371 17.535 ( -1.481 0.000 0.921) 1.744 17.614 ( -3.189 0.000 -0.007) 3.189 17.827 ( 2.509 0.000 -0.734) 2.614 18.606 ( -7.372 0.000 -4.858) 8.828 18.638 ( -0.899 0.000 3.936) 4.037 18.845 ( 5.880 0.000 4.104) 7.170 19.344 ( 4.666 0.000 -19.122) 19.683 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -12.722 0.000 9.482) 15.867 0.394 ( -15.416 0.000 9.007) 17.854 0.659 ( -25.640 0.000 14.072) 29.248 1.278 ( -5.228 0.000 2.562) 5.822 1.390 ( 2.684 0.000 0.571) 2.744 1.492 ( 0.344 0.000 0.649) 0.735 1.502 ( 2.840 0.000 -4.923) 5.683 1.638 ( -6.451 0.000 -2.629) 6.966 1.644 ( -3.035 0.000 -3.055) 4.306 1.746 ( -3.218 0.000 -1.650) 3.616 1.794 ( 5.182 0.000 4.793) 7.059 1.802 ( -1.865 0.000 -0.952) 2.094 1.888 ( -0.905 0.000 -3.564) 3.677 1.942 ( 0.862 0.000 2.576) 2.716 1.992 ( -1.213 0.000 3.811) 3.999 2.032 ( -0.913 0.000 -2.962) 3.099 2.114 ( 1.134 0.000 2.333) 2.594 2.138 ( 1.764 0.000 7.603) 7.805 2.225 ( -2.197 0.000 -0.727) 2.314 2.278 ( 1.663 0.000 1.752) 2.416 2.316 ( -0.359 0.000 1.309) 1.357 2.372 ( -3.899 0.000 -1.139) 4.062 2.407 ( 5.777 0.000 -2.677) 6.367 2.435 ( 3.511 0.000 -1.431) 3.792 2.617 ( -1.176 0.000 -1.202) 1.682 2.658 ( -1.210 0.000 1.300) 1.775 2.721 ( 6.797 0.000 -2.347) 7.191 2.794 ( -6.889 0.000 1.842) 7.131 2.864 ( -1.940 0.000 -8.888) 9.098 2.923 ( 3.768 0.000 -0.563) 3.810 2.939 ( -0.530 0.000 0.412) 0.671 3.002 ( -4.011 0.000 -2.893) 4.946 3.168 ( -0.872 0.000 -3.405) 3.515 3.199 ( -3.766 0.000 -3.941) 5.451 3.237 ( 0.862 0.000 0.112) 0.869 3.357 ( 0.245 0.000 -1.229) 1.253 3.456 ( 2.194 0.000 0.427) 2.235 3.481 ( -2.595 0.000 -3.429) 4.300 3.493 ( -2.686 0.000 -2.265) 3.513 3.562 ( 1.279 0.000 2.835) 3.110 3.625 ( 0.479 0.000 3.205) 3.240 3.700 ( 2.525 0.000 -0.802) 2.649 3.825 ( 2.974 0.000 2.103) 3.642 3.966 ( 3.118 0.000 -2.594) 4.056 3.970 ( -0.688 0.000 -1.509) 1.658 4.008 ( 3.568 0.000 2.115) 4.148 4.054 ( 4.143 0.000 -0.509) 4.174 4.161 ( -2.850 0.000 -0.790) 2.958 4.596 ( 1.170 0.000 -3.524) 3.713 4.615 ( 11.433 0.000 6.610) 13.206 4.722 ( -3.107 0.000 4.322) 5.323 4.992 ( -8.217 0.000 3.276) 8.846 5.242 ( -0.661 0.000 -1.841) 1.956 5.465 ( 0.079 0.000 -8.746) 8.747 5.712 ( 8.608 0.000 8.044) 11.782 6.375 ( 10.698 0.000 -3.127) 11.146 6.758 ( -3.923 0.000 3.001) 4.939 6.976 ( 3.207 0.000 -0.871) 3.323 7.138 ( -3.727 0.000 -3.664) 5.226 7.215 ( 6.960 0.000 10.264) 12.401 7.266 ( 8.939 0.000 15.651) 18.024 7.401 ( -0.239 0.000 -1.404) 1.425 7.760 ( -1.155 0.000 2.236) 2.517 8.014 ( 1.683 0.000 1.714) 2.402 17.482 ( -1.667 0.000 -0.330) 1.699 17.517 ( -1.048 0.000 0.761) 1.295 17.562 ( -2.566 0.000 1.319) 2.885 17.862 ( 1.795 0.000 -1.539) 2.365 18.476 ( -3.254 0.000 -2.045) 3.843 18.637 ( -1.504 0.000 1.602) 2.197 18.944 ( 2.071 0.000 1.441) 2.523 19.019 ( -21.618 0.000 -39.265) 44.823 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 1.259 10.263 9.436) 13.999 0.449 ( 4.542 12.656 9.174) 16.278 0.905 ( -0.580 20.039 22.146) 29.872 1.191 ( -0.944 -4.929 2.314) 5.526 1.279 ( -3.135 -4.678 -7.040) 9.015 1.403 ( -0.566 -4.642 -0.719) 4.731 1.430 ( 0.087 -5.330 -5.010) 7.316 1.530 ( -0.462 -2.113 -3.602) 4.201 1.606 ( -1.795 -4.703 -0.953) 5.123 1.694 ( 3.990 -1.656 -2.520) 5.001 1.725 ( -0.672 -2.630 1.259) 2.992 1.835 ( -1.240 0.862 1.625) 2.219 1.925 ( -0.770 1.236 0.441) 1.521 1.971 ( -1.277 1.346 -1.142) 2.178 1.999 ( -0.975 2.162 -1.219) 2.667 2.024 ( -1.651 3.087 3.141) 4.703 2.185 ( 0.854 0.743 1.698) 2.040 2.211 ( -0.502 -2.718 0.866) 2.896 2.259 ( -2.244 0.243 -1.088) 2.506 2.267 ( 1.182 2.575 2.329) 3.668 2.303 ( 2.919 1.936 5.839) 6.809 2.357 ( -1.796 2.344 1.814) 3.466 2.410 ( 2.064 -4.743 -3.003) 5.981 2.497 ( -0.064 -3.923 1.565) 4.224 2.568 ( 4.078 -3.618 2.284) 5.911 2.576 ( 0.448 -4.769 2.547) 5.425 2.690 ( 1.359 -1.534 -1.709) 2.668 2.756 ( -0.080 -0.535 -2.390) 2.450 2.788 ( -1.076 -1.461 0.428) 1.865 2.849 ( -1.775 0.476 -8.194) 8.397 2.913 ( 1.978 0.944 -0.526) 2.254 3.039 ( -1.901 -1.990 -4.362) 5.158 3.079 ( 0.168 -4.049 -3.083) 5.092 3.173 ( 1.452 7.030 -0.827) 7.226 3.301 ( 0.413 1.549 -3.481) 3.832 3.379 ( 1.534 0.892 -1.602) 2.391 3.452 ( 1.548 2.685 -1.798) 3.583 3.490 ( -0.867 2.152 -1.543) 2.786 3.516 ( 1.701 1.246 -1.001) 2.334 3.640 ( -0.959 0.577 5.632) 5.743 3.647 ( 0.572 0.652 1.799) 1.997 3.726 ( -1.650 -0.304 1.913) 2.545 3.762 ( -0.542 1.219 5.922) 6.070 3.919 ( 1.618 -5.419 2.319) 6.113 3.937 ( 0.225 -1.830 -1.498) 2.376 4.071 ( 0.385 -0.374 -1.735) 1.816 4.176 ( 1.224 6.387 4.133) 7.705 4.358 ( 3.046 6.286 -0.855) 7.037 4.508 ( -0.028 3.137 -10.319) 10.786 4.679 ( -5.148 -2.277 3.440) 6.597 4.811 ( -1.599 1.781 -2.489) 3.453 4.954 ( -1.459 5.748 5.650) 8.191 5.302 ( -1.326 1.788 -6.234) 6.620 5.404 ( 0.346 4.049 -6.908) 8.015 5.749 ( -0.746 -8.769 10.095) 13.393 6.343 ( 1.053 -8.201 0.179) 8.270 6.691 ( -0.750 0.035 2.088) 2.219 6.898 ( -6.500 -8.358 1.579) 10.705 7.053 ( 0.551 -3.842 0.020) 3.881 7.083 ( -3.895 -3.747 0.772) 5.459 7.387 ( 1.823 5.014 3.241) 6.242 7.463 ( 1.848 2.839 1.549) 3.725 7.951 ( 1.311 -1.128 2.285) 2.865 8.013 ( -2.207 -0.666 -0.026) 2.305 17.475 ( 0.506 0.268 0.251) 0.625 17.513 ( -1.536 0.378 -0.426) 1.638 17.561 ( 1.158 2.043 2.045) 3.115 17.828 ( -0.003 -3.179 -2.303) 3.925 18.487 ( 2.853 1.681 1.642) 3.697 18.609 ( 1.145 -1.224 1.408) 2.189 18.983 ( -2.600 4.137 -3.198) 5.840 19.068 ( 11.811 12.622 -18.625) 25.411 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 8.081 3.157 12.598) 15.296 0.687 ( 8.304 7.181 13.148) 17.129 1.139 ( 2.117 1.270 -3.455) 4.247 1.209 ( 9.476 11.977 10.771) 18.689 1.228 ( 2.799 -4.590 0.983) 5.465 1.369 ( -0.938 -2.845 -3.485) 4.595 1.446 ( 1.121 -10.312 -3.431) 10.925 1.492 ( 0.574 -1.538 -1.053) 1.950 1.601 ( 1.943 -3.412 -4.370) 5.875 1.680 ( -1.832 -3.951 5.684) 7.161 1.748 ( 0.982 -2.066 -3.247) 3.971 1.846 ( 0.319 0.151 -0.392) 0.528 1.915 ( -2.020 2.110 -2.743) 4.007 1.952 ( 2.540 1.347 1.864) 3.426 1.980 ( -1.960 1.423 3.212) 4.023 2.016 ( 0.788 1.282 0.076) 1.506 2.169 ( -5.102 -1.387 3.050) 6.104 2.182 ( -2.594 -1.568 -0.591) 3.088 2.236 ( 1.879 0.850 -0.298) 2.084 2.274 ( -0.131 0.284 0.764) 0.825 2.345 ( -1.345 3.668 2.100) 4.436 2.410 ( 0.742 -1.979 -2.350) 3.160 2.434 ( 3.370 1.888 5.160) 6.446 2.507 ( -0.445 0.580 3.108) 3.193 2.600 ( 0.259 -2.877 0.896) 3.025 2.652 ( -1.730 -0.660 -1.208) 2.210 2.673 ( -1.420 -2.653 -1.840) 3.527 2.739 ( 2.273 2.245 -7.646) 8.287 2.786 ( 2.256 -2.043 0.628) 3.108 2.829 ( 7.155 1.665 0.086) 7.347 2.933 ( -0.910 -4.841 -3.252) 5.902 3.000 ( 2.980 2.124 -3.098) 4.795 3.023 ( -1.306 -0.952 -5.199) 5.444 3.197 ( 0.085 2.529 -0.661) 2.616 3.289 ( 1.648 0.766 -4.581) 4.929 3.396 ( 0.546 -0.493 -2.203) 2.323 3.486 ( 1.850 3.913 -1.793) 4.685 3.500 ( 2.223 -0.447 -0.230) 2.279 3.541 ( 1.863 0.047 0.265) 1.882 3.636 ( -2.049 -1.335 -1.518) 2.878 3.664 ( -1.513 0.373 6.440) 6.626 3.711 ( -2.142 -0.554 4.225) 4.770 3.787 ( -0.632 2.710 3.459) 4.440 3.911 ( -1.993 -2.046 -1.754) 3.351 3.953 ( 0.301 -3.436 1.265) 3.674 4.046 ( -1.007 1.086 -1.647) 2.215 4.184 ( -3.481 3.149 3.280) 5.726 4.386 ( -6.494 2.479 -7.894) 10.518 4.439 ( 4.193 2.822 3.910) 6.390 4.576 ( -7.419 0.470 1.789) 7.646 4.740 ( -0.861 6.240 -3.931) 7.425 5.000 ( 1.161 5.464 6.118) 8.285 5.263 ( -0.118 -5.366 -7.646) 9.341 5.299 ( -2.551 5.772 -4.036) 7.491 5.735 ( -7.701 -6.122 9.851) 13.922 6.297 ( -7.380 -10.467 -0.110) 12.808 6.705 ( -0.569 -0.329 2.180) 2.277 6.784 ( -3.580 -3.934 1.159) 5.444 6.985 ( -2.024 1.689 -0.366) 2.661 7.152 ( 4.971 -4.283 1.598) 6.753 7.436 ( 0.707 4.857 1.296) 5.077 7.529 ( 3.388 0.730 2.436) 4.236 7.925 ( -5.746 0.336 -0.050) 5.756 7.950 ( -2.175 0.034 1.984) 2.944 17.485 ( -0.340 0.115 -0.761) 0.842 17.510 ( 1.946 -0.413 0.913) 2.189 17.629 ( 3.981 3.374 1.562) 5.447 17.812 ( 0.584 -1.699 -2.192) 2.834 18.594 ( -2.128 3.028 -1.964) 4.190 18.599 ( 6.262 1.306 3.182) 7.144 18.861 ( -5.764 3.301 -5.058) 8.349 19.218 ( 11.359 -5.169 -13.021) 18.036 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 6.947 0.829 11.636) 13.577 0.940 ( 8.118 4.645 13.420) 16.357 1.123 ( 4.053 -0.875 -7.233) 8.338 1.250 ( -1.110 -3.425 -7.550) 8.365 1.283 ( -1.549 -0.681 0.575) 1.787 1.374 ( -1.856 -3.015 -1.046) 3.692 1.495 ( 3.693 -4.989 0.710) 6.248 1.580 ( 5.508 1.641 2.315) 6.196 1.635 ( 0.273 -2.235 0.965) 2.450 1.709 ( 0.339 -3.962 0.785) 4.053 1.786 ( 7.443 0.173 6.225) 9.705 1.820 ( -2.235 0.211 -2.588) 3.426 1.906 ( 2.011 1.753 0.857) 2.802 1.927 ( -1.226 2.054 -0.759) 2.509 2.023 ( 3.202 2.453 0.334) 4.047 2.068 ( -3.955 -2.759 0.734) 4.878 2.103 ( 1.706 -3.029 0.174) 3.481 2.148 ( 0.581 -0.533 2.788) 2.898 2.268 ( -2.080 2.500 4.887) 5.871 2.305 ( 4.233 2.267 -0.873) 4.881 2.346 ( 1.015 -1.519 -1.245) 2.211 2.357 ( -2.524 0.703 -0.162) 2.625 2.486 ( -3.099 2.655 3.894) 5.640 2.529 ( 1.689 1.293 1.589) 2.655 2.607 ( -1.724 -1.448 0.152) 2.256 2.616 ( 1.095 1.139 -0.765) 1.755 2.635 ( 0.417 0.276 -1.103) 1.211 2.721 ( 4.162 2.057 -9.512) 10.585 2.854 ( 3.079 -6.369 0.555) 7.095 2.902 ( 2.667 4.180 -4.693) 6.827 2.940 ( -0.397 -2.039 -4.053) 4.554 3.009 ( 4.648 2.052 -0.607) 5.117 3.024 ( 0.926 2.887 -3.663) 4.755 3.236 ( 2.836 -0.435 3.299) 4.372 3.278 ( 2.251 -2.906 -3.449) 5.041 3.372 ( -1.757 0.476 -3.750) 4.169 3.423 ( -6.339 0.387 -4.636) 7.863 3.539 ( 2.584 1.865 0.768) 3.278 3.555 ( -0.607 0.442 -0.442) 0.872 3.620 ( 0.423 -0.140 0.931) 1.032 3.669 ( -2.766 -1.954 5.437) 6.406 3.705 ( -1.988 -0.473 3.889) 4.393 3.784 ( -1.920 5.723 1.374) 6.191 3.828 ( -4.947 -2.798 -1.106) 5.790 3.959 ( 0.686 0.943 -0.998) 1.535 4.019 ( -1.545 3.595 -0.868) 4.008 4.135 ( -3.639 -4.452 2.981) 6.477 4.162 ( -10.808 0.729 -3.252) 11.310 4.445 ( -6.118 2.543 0.237) 6.630 4.556 ( 3.002 7.573 5.172) 9.649 4.740 ( 2.892 0.942 -3.645) 4.748 5.066 ( 0.464 2.857 4.422) 5.285 5.119 ( -4.641 -2.314 -6.696) 8.470 5.334 ( 4.952 -1.346 -2.553) 5.732 5.660 ( -6.844 -3.531 8.997) 11.843 6.084 ( -12.712 -9.041 -2.271) 15.764 6.705 ( -0.475 -1.242 1.938) 2.350 6.790 ( 0.740 -1.471 2.488) 2.984 6.988 ( 2.071 3.563 0.730) 4.185 7.243 ( 2.909 -5.019 1.461) 5.982 7.428 ( -1.637 2.802 -0.708) 3.322 7.613 ( 3.581 -2.158 1.554) 4.461 7.774 ( -8.308 3.990 -2.184) 9.471 7.951 ( -0.626 -0.538 2.966) 3.079 17.485 ( 0.702 -0.819 -0.003) 1.079 17.550 ( 1.271 -2.481 0.723) 2.881 17.716 ( 4.172 5.409 0.581) 6.855 17.829 ( 2.590 2.341 -0.968) 3.623 18.528 ( -1.984 2.901 -3.036) 4.644 18.699 ( -4.021 0.021 -3.197) 5.137 18.771 ( 5.890 2.216 1.667) 6.511 19.249 ( 1.127 -7.850 -8.267) 11.455 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.879 -2.484 7.449) 7.901 1.116 ( 0.453 -1.325 -7.115) 7.251 1.168 ( 5.792 5.129 10.458) 13.009 1.196 ( 1.064 -1.648 -1.893) 2.726 1.307 ( 0.549 0.074 2.122) 2.194 1.331 ( -0.032 5.965 1.333) 6.113 1.488 ( -2.322 -6.562 0.853) 7.013 1.620 ( 3.083 -0.904 -4.190) 5.280 1.703 ( -1.255 2.898 -0.562) 3.208 1.741 ( 3.195 -3.666 2.084) 5.291 1.765 ( -0.309 -2.044 1.907) 2.812 1.830 ( -0.363 -0.758 -1.988) 2.158 1.883 ( -3.993 -3.447 1.918) 5.613 1.965 ( -2.052 -2.099 -1.784) 3.435 1.990 ( 1.742 -2.604 2.723) 4.151 2.087 ( -1.137 -2.761 0.148) 2.990 2.158 ( 1.192 -0.206 1.853) 2.213 2.212 ( -1.577 -1.144 -0.658) 2.057 2.268 ( 3.848 2.509 3.738) 5.922 2.329 ( -1.253 0.605 3.084) 3.383 2.377 ( 1.432 5.063 -0.658) 5.303 2.430 ( 4.576 0.459 1.080) 4.724 2.505 ( 1.229 1.033 2.888) 3.305 2.537 ( 4.674 -0.339 2.260) 5.202 2.612 ( 1.662 -2.426 2.241) 3.697 2.650 ( 1.668 2.792 1.202) 3.468 2.681 ( 7.560 1.860 -3.765) 8.648 2.750 ( 3.588 -0.259 -5.164) 6.293 2.829 ( -1.200 -0.378 -5.026) 5.181 2.924 ( 2.594 -2.156 -1.197) 3.579 2.958 ( -0.622 2.567 -3.219) 4.164 2.969 ( -1.805 3.289 -3.021) 4.817 3.076 ( 3.324 3.823 -3.004) 5.890 3.164 ( -9.476 4.526 -5.764) 11.980 3.244 ( 0.364 1.203 -1.320) 1.822 3.339 ( -1.777 1.593 -2.225) 3.264 3.400 ( 4.979 -4.358 3.124) 7.318 3.535 ( -1.389 0.182 -0.985) 1.712 3.569 ( -1.167 -2.470 0.429) 2.765 3.620 ( -1.532 1.079 2.519) 3.140 3.640 ( -2.575 -1.760 2.016) 3.714 3.685 ( -2.076 2.143 1.008) 3.150 3.737 ( -2.204 1.803 1.670) 3.301 3.779 ( -0.357 1.344 -0.303) 1.423 3.885 ( -9.096 1.365 -0.402) 9.207 3.985 ( 1.769 1.267 -1.550) 2.672 4.043 ( -1.401 -1.076 -2.055) 2.710 4.095 ( -2.660 -3.461 1.943) 4.778 4.370 ( -2.418 2.622 1.168) 3.753 4.602 ( -0.100 8.966 -1.074) 9.030 4.783 ( 1.825 -5.004 3.370) 6.302 4.984 ( -1.919 -2.863 -2.909) 4.510 5.131 ( 0.963 2.091 2.743) 3.581 5.405 ( 3.108 -5.446 -0.625) 6.302 5.627 ( -2.409 -0.665 4.559) 5.199 5.847 ( -9.399 -4.585 -3.427) 11.004 6.712 ( -0.503 -1.575 2.023) 2.613 6.820 ( 0.068 -1.782 2.920) 3.421 7.064 ( 4.534 3.417 1.212) 5.805 7.270 ( -0.466 -4.638 -1.029) 4.773 7.364 ( -4.067 0.989 -0.733) 4.249 7.603 ( -3.345 5.182 -5.957) 8.575 7.700 ( 0.977 -1.661 4.637) 5.021 7.955 ( -0.986 -1.134 1.451) 2.089 17.506 ( 0.948 -1.491 0.821) 1.948 17.568 ( 0.179 -4.057 0.975) 4.176 17.780 ( 2.609 6.941 -1.027) 7.486 17.875 ( 2.250 6.406 -0.936) 6.854 18.495 ( 0.617 1.211 -1.025) 1.702 18.604 ( -3.067 -0.552 0.161) 3.121 18.916 ( 7.079 -1.153 0.240) 7.176 19.165 ( -3.687 -5.712 -5.842) 8.964 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -4.190 -2.077 2.220) 5.177 1.026 ( -6.511 -1.041 -5.312) 8.467 1.192 ( -0.174 0.662 -1.705) 1.837 1.278 ( -1.449 2.560 3.468) 4.547 1.336 ( 3.511 2.217 9.138) 10.037 1.429 ( 1.408 5.967 4.712) 7.733 1.476 ( 0.238 -7.713 1.501) 7.861 1.624 ( 0.146 1.253 -1.246) 1.773 1.685 ( 2.810 1.301 -2.734) 4.131 1.724 ( -1.164 -1.029 -2.502) 2.945 1.797 ( -0.669 -4.766 2.801) 5.569 1.842 ( 1.121 -2.987 -0.259) 3.201 1.863 ( 0.644 -5.192 2.586) 5.836 1.979 ( 4.326 2.376 1.252) 5.092 2.039 ( -1.962 -2.945 3.372) 4.888 2.081 ( 2.009 -2.757 2.555) 4.262 2.149 ( -0.702 0.630 1.104) 1.452 2.239 ( 1.676 -0.632 0.424) 1.840 2.273 ( -6.606 -2.253 -0.133) 6.981 2.282 ( -2.407 -0.592 2.614) 3.602 2.367 ( 0.016 4.100 -2.151) 4.631 2.448 ( -2.734 1.812 -0.868) 3.393 2.474 ( -2.440 3.071 -0.652) 3.976 2.603 ( -3.478 -3.630 -1.686) 5.303 2.638 ( -9.719 4.342 -2.953) 11.047 2.649 ( -2.334 -1.492 0.984) 2.940 2.733 ( 0.467 -0.226 -5.393) 5.418 2.811 ( 5.356 0.824 -0.883) 5.490 2.854 ( 1.927 2.081 -2.663) 3.890 2.929 ( 13.721 2.384 1.122) 13.972 2.947 ( 1.706 1.523 -1.420) 2.692 2.980 ( 4.155 -1.615 2.029) 4.898 3.097 ( 3.247 6.615 -2.093) 7.661 3.140 ( 5.185 2.648 -1.365) 5.980 3.262 ( 2.277 1.608 -0.399) 2.816 3.286 ( -2.752 2.595 1.338) 4.013 3.432 ( -5.443 -5.228 -2.786) 8.045 3.484 ( 0.935 -3.146 -1.654) 3.675 3.548 ( -0.394 0.089 -1.003) 1.082 3.599 ( -2.711 1.347 1.945) 3.598 3.625 ( -1.992 3.896 -0.555) 4.411 3.671 ( 1.127 0.725 0.327) 1.379 3.711 ( -2.229 1.305 -0.877) 2.728 3.741 ( -1.018 1.066 3.465) 3.766 3.844 ( 3.100 -0.428 2.308) 3.888 3.985 ( -1.715 -2.905 -2.948) 4.480 4.012 ( 1.376 0.289 -1.973) 2.423 4.065 ( -1.452 1.036 -0.242) 1.800 4.356 ( -0.395 1.588 1.399) 2.153 4.555 ( -1.918 7.181 -3.842) 8.367 4.846 ( 1.465 -6.503 5.981) 8.956 5.036 ( 5.908 -4.162 3.915) 8.219 5.151 ( -0.659 1.025 2.307) 2.609 5.404 ( -2.821 -7.237 -0.820) 7.811 5.613 ( -3.219 1.815 -0.357) 3.712 5.726 ( 1.555 -2.213 -3.416) 4.357 6.717 ( -0.464 -1.213 2.343) 2.679 6.834 ( -0.991 -2.177 3.129) 3.938 7.079 ( -3.765 2.600 -2.813) 5.371 7.277 ( 3.831 -2.794 -0.473) 4.765 7.313 ( -0.920 1.445 0.482) 1.780 7.527 ( -0.854 5.546 -5.277) 7.702 7.757 ( 1.411 -2.454 4.568) 5.374 7.934 ( -1.707 -1.704 -0.285) 2.429 17.523 ( -0.085 -1.619 1.390) 2.136 17.580 ( 0.062 -3.739 1.657) 4.090 17.792 ( -0.104 7.230 -2.093) 7.528 17.878 ( -0.590 6.904 -2.439) 7.346 18.550 ( 4.432 0.454 2.809) 5.267 18.592 ( -0.030 -0.564 3.746) 3.788 18.957 ( -4.113 -2.339 -4.536) 6.555 19.111 ( 5.041 -5.028 -3.314) 7.853 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -11.833 1.524 -2.385) 12.166 0.871 ( -8.438 1.650 1.529) 8.733 1.173 ( 0.359 -3.998 -1.990) 4.480 1.300 ( 1.345 -0.034 1.667) 2.142 1.386 ( -0.430 -1.694 1.188) 2.113 1.477 ( -1.728 -1.434 2.706) 3.516 1.501 ( 0.372 -1.203 6.373) 6.496 1.632 ( -3.111 -4.388 1.921) 5.711 1.661 ( 0.106 4.767 0.701) 4.820 1.758 ( 0.451 -4.203 1.215) 4.398 1.832 ( 2.490 -0.990 1.579) 3.110 1.863 ( 2.670 0.219 -0.985) 2.855 1.926 ( 1.483 -3.100 3.135) 4.651 2.010 ( -4.426 -2.183 -0.838) 5.006 2.050 ( -0.541 5.118 0.205) 5.151 2.064 ( -6.686 4.106 -1.928) 8.080 2.123 ( -2.152 -0.853 1.894) 2.991 2.150 ( -0.982 -2.214 4.030) 4.701 2.232 ( -7.159 0.270 0.173) 7.166 2.263 ( -1.591 -1.849 -2.668) 3.615 2.287 ( -0.985 2.449 -3.518) 4.399 2.341 ( 1.178 0.134 -2.252) 2.545 2.435 ( -0.819 2.571 3.053) 4.074 2.496 ( -3.815 2.822 0.112) 4.747 2.555 ( -1.479 -1.684 -0.473) 2.291 2.657 ( -0.387 0.520 1.373) 1.519 2.701 ( -0.213 0.576 -2.241) 2.324 2.852 ( -1.101 -0.173 -2.220) 2.484 2.870 ( 0.524 -0.890 -0.878) 1.356 2.975 ( 3.810 1.980 -1.812) 4.660 3.037 ( 1.122 1.712 0.568) 2.125 3.078 ( 1.941 -3.373 -0.897) 3.994 3.176 ( 2.620 0.876 -1.488) 3.138 3.208 ( -0.749 -3.051 -2.105) 3.782 3.271 ( -0.371 -2.000 -3.106) 3.712 3.326 ( 3.728 1.597 -0.609) 4.101 3.403 ( 8.929 2.471 4.549) 10.321 3.491 ( 1.342 0.020 -2.537) 2.870 3.519 ( -0.793 1.045 -3.023) 3.295 3.556 ( -1.005 0.524 -1.196) 1.648 3.589 ( -2.349 2.554 4.203) 5.451 3.628 ( -0.987 1.471 -2.467) 3.037 3.740 ( -0.645 4.076 1.884) 4.536 3.808 ( 5.849 0.793 0.949) 5.979 3.909 ( -1.166 -4.281 0.391) 4.454 3.946 ( 1.723 0.886 -2.470) 3.139 4.040 ( 0.426 3.751 0.108) 3.777 4.076 ( 7.606 -0.259 0.295) 7.617 4.367 ( 0.387 2.465 -0.134) 2.499 4.522 ( 1.289 6.388 -0.405) 6.529 4.899 ( -1.442 -3.553 3.797) 5.396 5.140 ( -1.410 -5.969 4.327) 7.506 5.197 ( 4.692 -4.883 3.603) 7.671 5.355 ( 1.082 -3.345 -0.725) 3.590 5.493 ( -6.360 3.629 -2.735) 7.816 5.835 ( 10.381 -4.787 -2.325) 11.666 6.736 ( -0.142 -0.364 3.792) 3.812 6.835 ( -0.999 -2.516 3.534) 4.452 6.990 ( -2.594 3.697 -1.250) 4.686 7.250 ( -2.869 -3.095 -1.756) 4.571 7.394 ( 4.685 1.889 0.086) 5.052 7.473 ( -0.757 4.481 -5.832) 7.393 7.826 ( 1.970 -1.629 4.332) 5.030 7.894 ( -1.420 -1.481 -0.975) 2.272 17.526 ( -0.791 -0.890 1.925) 2.264 17.586 ( -1.051 -1.775 1.479) 2.538 17.747 ( -2.953 6.023 -2.144) 7.042 17.838 ( -0.933 3.545 -2.402) 4.383 18.622 ( 0.172 0.541 4.731) 4.764 18.697 ( 6.695 0.574 3.791) 7.715 18.796 ( -7.155 0.243 -5.093) 8.786 19.210 ( 7.542 -7.455 -6.043) 12.206 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -12.940 1.791 -2.352) 13.273 0.711 ( -11.641 8.566 6.920) 16.024 1.164 ( -2.406 -6.621 -3.468) 7.852 1.302 ( -3.488 -3.096 3.326) 5.728 1.349 ( -7.847 1.694 -3.178) 8.634 1.424 ( -6.418 4.480 -0.654) 7.854 1.497 ( 2.541 -0.173 5.138) 5.735 1.541 ( -2.107 -8.252 0.486) 8.530 1.683 ( -1.027 0.813 6.407) 6.539 1.753 ( -2.793 -2.343 2.505) 4.424 1.875 ( 1.494 -1.426 -2.645) 3.356 1.906 ( -1.806 -0.038 0.030) 1.807 1.916 ( -0.993 0.145 1.307) 1.648 1.957 ( 0.094 2.439 0.591) 2.512 1.983 ( -3.374 3.676 1.604) 5.241 2.009 ( -3.874 3.302 -5.136) 7.231 2.062 ( 1.042 -3.382 1.134) 3.716 2.161 ( 3.057 -1.943 1.791) 4.041 2.199 ( -1.931 0.268 7.013) 7.279 2.244 ( -1.151 0.834 -3.280) 3.574 2.274 ( 2.713 0.384 -2.038) 3.415 2.387 ( 2.974 0.460 -1.047) 3.186 2.426 ( -1.307 1.245 -0.750) 1.955 2.484 ( -0.817 1.066 2.828) 3.130 2.541 ( 1.107 -2.398 0.637) 2.717 2.637 ( -2.724 -2.099 -0.172) 3.443 2.676 ( -0.329 0.066 -1.667) 1.701 2.787 ( -2.969 -3.286 -1.952) 4.840 2.865 ( -1.625 -0.938 -0.712) 2.007 2.945 ( -5.765 -4.516 0.055) 7.324 3.026 ( 0.740 1.366 -2.541) 2.978 3.088 ( 0.272 0.616 -6.078) 6.115 3.130 ( 0.423 -3.355 -2.509) 4.211 3.213 ( 0.535 1.141 1.003) 1.610 3.307 ( 2.824 2.066 -4.249) 5.504 3.380 ( 2.507 3.513 -1.102) 4.454 3.451 ( -0.332 -0.059 -3.327) 3.344 3.513 ( -0.660 2.147 0.736) 2.364 3.538 ( 0.798 0.627 0.090) 1.018 3.577 ( 2.380 0.077 0.711) 2.485 3.613 ( 2.793 0.797 3.596) 4.623 3.634 ( 1.904 2.100 0.468) 2.873 3.735 ( -0.855 0.510 1.842) 2.094 3.872 ( -0.471 -6.758 -0.997) 6.847 3.913 ( 2.633 2.097 0.949) 3.497 3.970 ( 3.756 0.827 -1.838) 4.262 4.059 ( 2.321 5.214 -0.915) 5.780 4.292 ( 8.597 5.612 1.028) 10.318 4.374 ( 4.713 1.965 -0.655) 5.149 4.596 ( 4.168 3.554 3.900) 6.724 4.844 ( -4.355 3.153 0.095) 5.378 5.070 ( -7.395 -4.878 3.032) 9.363 5.354 ( 6.474 -5.456 5.644) 10.176 5.378 ( -1.265 3.132 -3.606) 4.941 5.424 ( 4.277 -4.839 -0.562) 6.483 6.048 ( 12.951 -7.224 -0.647) 14.844 6.749 ( -1.839 -0.390 3.546) 4.013 6.882 ( 1.763 -4.117 8.032) 9.196 6.967 ( -0.048 2.456 0.624) 2.534 7.172 ( -3.523 -3.179 -2.148) 5.209 7.406 ( -1.940 5.888 -3.844) 7.294 7.454 ( 1.914 2.601 -1.119) 3.417 7.825 ( -1.279 -0.357 -1.701) 2.158 7.938 ( 3.375 -0.706 3.344) 4.803 17.524 ( -1.060 0.503 1.460) 1.873 17.558 ( -2.492 0.734 1.316) 2.913 17.661 ( -4.210 3.506 -2.015) 5.838 17.823 ( 0.635 -0.601 -1.064) 1.377 18.605 ( -5.994 0.148 -3.991) 7.202 18.654 ( -1.706 0.795 2.220) 2.911 18.862 ( 6.381 2.305 2.646) 7.283 19.267 ( 4.964 -6.478 -12.520) 14.945 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -7.116 7.557 4.093) 11.158 0.541 ( -11.901 12.024 5.075) 17.662 0.932 ( -15.951 17.154 10.769) 25.781 1.223 ( -3.699 -5.914 1.588) 7.154 1.313 ( 1.091 -7.698 -1.221) 7.870 1.399 ( 0.703 -2.004 -0.174) 2.131 1.504 ( -0.977 -5.312 -3.207) 6.281 1.591 ( 2.591 -2.704 1.127) 3.911 1.641 ( -6.253 -0.228 -1.977) 6.562 1.695 ( -3.696 0.438 -2.848) 4.687 1.740 ( -4.164 -3.474 2.049) 5.797 1.861 ( 0.067 0.465 0.345) 0.583 1.919 ( -1.861 1.539 -1.076) 2.644 1.985 ( 1.509 4.580 1.722) 5.120 2.001 ( 0.675 0.789 3.419) 3.573 2.030 ( 1.397 -0.332 -0.514) 1.525 2.129 ( 4.014 1.036 2.698) 4.946 2.181 ( 1.237 1.903 -3.051) 3.803 2.221 ( -1.848 1.501 7.546) 7.913 2.236 ( 1.136 -2.870 1.338) 3.364 2.303 ( 0.925 1.041 -1.025) 1.729 2.396 ( 0.465 0.209 -2.939) 2.983 2.403 ( -1.513 -1.657 -1.543) 2.723 2.474 ( -0.427 -0.383 2.749) 2.808 2.543 ( -1.642 -5.199 -0.081) 5.453 2.585 ( -0.779 -3.509 -1.188) 3.786 2.696 ( 0.319 -2.774 -1.449) 3.146 2.743 ( 0.971 -4.189 1.282) 4.487 2.786 ( -2.620 -2.733 0.412) 3.808 2.919 ( -2.139 -0.048 -0.025) 2.140 2.960 ( -2.524 -1.545 -4.471) 5.362 3.046 ( 2.243 3.111 -7.281) 8.229 3.114 ( -0.752 -2.024 -4.227) 4.747 3.217 ( -1.317 3.479 -0.836) 3.813 3.298 ( 0.692 3.848 -2.861) 4.844 3.392 ( 0.727 2.278 -3.431) 4.182 3.455 ( 0.144 -0.723 1.279) 1.476 3.489 ( -0.086 1.923 -1.326) 2.337 3.541 ( -0.689 -0.109 -2.395) 2.494 3.613 ( -0.188 -0.286 4.643) 4.656 3.628 ( -0.283 3.600 -0.595) 3.660 3.709 ( 2.343 2.340 4.737) 5.779 3.739 ( -1.499 -2.099 3.039) 3.986 3.874 ( 0.999 -7.096 1.327) 7.288 3.937 ( 0.702 -0.253 -0.824) 1.111 4.043 ( 3.737 -0.031 -1.126) 3.903 4.111 ( 3.030 6.845 1.103) 7.567 4.326 ( 1.510 8.353 -1.922) 8.703 4.531 ( 6.309 0.926 -6.171) 8.874 4.691 ( 0.705 -0.264 5.435) 5.487 4.807 ( 1.259 3.886 0.043) 4.085 4.972 ( -5.120 1.241 4.722) 7.075 5.356 ( 1.412 10.372 -0.907) 10.507 5.395 ( 1.567 -5.857 -7.931) 9.983 5.606 ( 7.708 -9.258 8.614) 14.810 6.261 ( 8.871 -9.063 -0.780) 12.706 6.720 ( -3.403 -1.064 2.418) 4.308 6.956 ( -2.574 -6.255 5.722) 8.859 7.006 ( 3.288 -3.111 1.954) 4.931 7.123 ( -1.001 -4.411 2.705) 5.270 7.357 ( -0.671 5.946 -0.326) 5.993 7.458 ( -0.889 2.908 -0.223) 3.049 7.840 ( 4.839 4.036 1.078) 6.393 8.009 ( 1.718 -0.885 1.697) 2.572 17.490 ( -2.039 0.763 -0.208) 2.187 17.548 ( -0.590 2.422 2.001) 3.197 17.570 ( -4.050 0.422 -0.867) 4.164 17.833 ( 0.907 -2.793 -1.256) 3.194 18.489 ( -2.897 1.266 -1.881) 3.679 18.621 ( -2.914 -1.871 -0.225) 3.470 18.963 ( 3.852 4.280 -1.556) 5.965 19.176 ( -1.184 5.175 -19.833) 20.532 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 3.463 16.186 0.110) 16.552 0.734 ( -0.596 14.063 4.397) 14.746 0.990 ( 2.071 -11.041 2.666) 11.546 1.041 ( -0.586 -14.443 -2.010) 14.594 1.320 ( 1.708 5.399 4.748) 7.390 1.336 ( -1.605 -0.941 -2.013) 2.742 1.419 ( -2.033 10.354 3.933) 11.261 1.491 ( -2.573 0.331 -5.633) 6.202 1.531 ( -4.745 -2.880 -3.978) 6.829 1.639 ( 2.443 -5.689 0.590) 6.220 1.731 ( 0.477 4.865 -1.028) 4.995 1.862 ( -0.679 0.732 0.585) 1.157 1.914 ( -1.045 -1.888 0.572) 2.232 1.937 ( 1.671 -7.001 5.594) 9.116 2.033 ( -1.685 2.315 -2.504) 3.803 2.070 ( -2.404 1.010 2.600) 3.682 2.134 ( -0.999 -3.848 -0.613) 4.022 2.171 ( -1.778 -4.530 -1.909) 5.227 2.235 ( -1.363 1.036 2.407) 2.953 2.271 ( 1.012 -1.977 4.585) 5.095 2.329 ( 0.882 1.160 0.809) 1.667 2.354 ( 1.575 -0.195 -0.254) 1.607 2.389 ( 2.463 2.379 1.381) 3.692 2.440 ( 4.450 -2.042 4.258) 6.489 2.510 ( -1.334 0.290 4.159) 4.377 2.546 ( -0.628 -1.574 1.505) 2.266 2.691 ( 1.439 1.785 0.559) 2.360 2.728 ( 1.684 -0.552 3.726) 4.126 2.787 ( 0.454 1.120 0.299) 1.245 2.848 ( 0.416 -2.543 -3.358) 4.233 2.939 ( 0.369 1.792 -1.388) 2.297 2.999 ( -0.136 -3.246 -4.527) 5.572 3.087 ( -0.028 5.920 -9.688) 11.353 3.207 ( -0.180 -4.043 -4.242) 5.863 3.343 ( 1.354 2.988 -6.963) 7.697 3.385 ( 0.587 -0.722 -4.709) 4.800 3.483 ( 1.923 0.790 -1.664) 2.663 3.499 ( 0.705 -0.471 -2.730) 2.859 3.569 ( 0.668 2.909 -1.072) 3.172 3.620 ( 0.533 -1.846 0.148) 1.928 3.676 ( -2.247 1.747 6.989) 7.546 3.712 ( -2.335 -1.179 5.127) 5.755 3.788 ( -0.445 0.574 5.405) 5.453 3.828 ( 0.302 -2.588 3.522) 4.381 3.973 ( 0.335 4.004 -0.490) 4.047 4.044 ( 0.512 -2.394 -0.878) 2.600 4.338 ( 0.689 8.168 1.430) 8.321 4.424 ( 0.232 1.312 -3.586) 3.826 4.558 ( -0.444 -1.028 -6.095) 6.197 4.584 ( -2.438 -5.476 3.263) 6.825 4.921 ( -0.638 10.137 -3.374) 10.703 5.106 ( 0.124 0.892 -1.616) 1.850 5.212 ( -0.690 1.214 1.259) 1.880 5.443 ( -0.372 -11.878 6.432) 13.513 5.741 ( -0.444 15.387 -0.565) 15.403 6.091 ( 0.266 -15.822 -1.711) 15.917 6.704 ( -1.027 1.323 1.510) 2.255 6.758 ( -3.829 -4.370 1.834) 6.093 7.010 ( 0.092 -0.288 0.361) 0.471 7.030 ( 0.001 -1.902 0.282) 1.923 7.480 ( 1.491 3.136 1.719) 3.875 7.505 ( 1.140 0.700 1.294) 1.861 7.958 ( 0.052 1.291 1.100) 1.697 7.990 ( -1.067 -1.490 0.379) 1.872 17.486 ( -0.071 0.755 0.303) 0.817 17.504 ( -0.817 -0.846 0.257) 1.204 17.636 ( 0.827 4.738 0.351) 4.823 17.740 ( 0.266 -4.941 -1.098) 5.068 18.530 ( 2.598 2.243 2.143) 4.046 18.574 ( 2.160 -1.947 2.163) 3.624 19.083 ( -1.476 4.915 -5.886) 7.809 19.157 ( 1.292 -1.320 -10.938) 11.093 ======================= Grid point 62 (33/78) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 4.666 12.707 3.835) 14.070 0.866 ( 5.073 9.279 7.986) 13.252 1.041 ( 2.542 -13.337 -0.092) 13.578 1.051 ( 1.598 -7.825 0.406) 7.996 1.304 ( 0.747 0.533 -3.287) 3.413 1.332 ( 1.173 -0.870 -3.841) 4.110 1.421 ( -0.960 -0.237 -2.159) 2.375 1.457 ( 2.478 -4.973 -2.028) 5.914 1.554 ( 5.550 7.392 3.782) 9.988 1.655 ( -0.956 -2.246 1.800) 3.033 1.755 ( 2.384 4.699 -0.234) 5.275 1.836 ( -0.571 -1.554 -0.454) 1.716 1.951 ( -0.920 2.028 -0.403) 2.263 1.977 ( 2.430 2.494 0.923) 3.602 2.014 ( 0.697 0.032 0.023) 0.698 2.033 ( -2.528 1.833 2.071) 3.747 2.118 ( -2.739 -4.085 0.083) 4.919 2.145 ( 0.971 -4.085 0.580) 4.238 2.219 ( -1.218 1.208 3.157) 3.593 2.299 ( -0.950 -1.745 3.759) 4.252 2.337 ( 2.246 -3.022 1.727) 4.142 2.387 ( 2.710 -3.591 0.091) 4.499 2.441 ( -0.541 4.274 3.478) 5.537 2.522 ( -0.788 -2.771 2.477) 3.799 2.555 ( 3.205 3.505 5.026) 6.916 2.627 ( 4.510 -1.299 0.556) 4.726 2.657 ( -2.196 -0.497 2.987) 3.741 2.705 ( -5.581 -3.189 0.458) 6.445 2.814 ( 0.287 2.692 -3.116) 4.128 2.844 ( 3.567 2.314 -3.403) 5.446 2.986 ( 2.181 -0.796 -3.511) 4.209 3.015 ( 5.474 -0.853 -0.564) 5.569 3.020 ( 1.998 7.296 -9.884) 12.447 3.168 ( 1.032 -5.393 -7.258) 9.101 3.332 ( 1.495 2.613 -5.221) 6.027 3.374 ( 1.417 -1.576 -3.848) 4.393 3.500 ( 1.550 0.849 -0.527) 1.844 3.528 ( 2.679 -1.269 -0.305) 2.980 3.542 ( -1.344 1.762 -1.692) 2.788 3.588 ( -2.533 -2.810 -1.979) 4.269 3.686 ( -2.539 1.284 5.570) 6.254 3.696 ( -3.192 -0.047 5.434) 6.303 3.828 ( -0.120 -0.146 4.427) 4.431 3.838 ( -1.688 -2.291 3.153) 4.248 3.977 ( 0.369 3.887 0.269) 3.913 4.040 ( -0.155 -1.691 -0.134) 1.703 4.294 ( -5.755 5.521 -2.292) 8.297 4.372 ( -5.265 -1.966 -5.011) 7.529 4.507 ( 0.744 2.114 0.326) 2.265 4.560 ( -2.102 -2.541 2.987) 4.450 4.884 ( -0.524 9.178 -3.559) 9.858 5.088 ( 0.261 -8.655 -6.216) 10.659 5.194 ( -3.732 10.515 7.003) 13.174 5.411 ( -5.822 -4.969 2.842) 8.165 5.681 ( -5.030 9.477 2.232) 10.959 6.003 ( -7.347 -16.758 -1.865) 18.393 6.706 ( -0.593 0.557 1.180) 1.433 6.729 ( 0.151 -1.678 1.194) 2.065 7.017 ( 1.074 1.843 0.365) 2.164 7.071 ( 3.314 -3.393 0.730) 4.799 7.513 ( 0.134 2.454 0.718) 2.561 7.539 ( 1.033 -0.138 1.544) 1.863 7.937 ( -3.275 0.794 1.159) 3.563 7.950 ( -2.545 -0.278 0.827) 2.690 17.493 ( -0.347 0.450 -0.689) 0.893 17.501 ( 0.619 -0.408 0.022) 0.742 17.697 ( 5.033 3.231 1.067) 6.075 17.762 ( 3.309 -2.910 -0.479) 4.433 18.628 ( 4.416 1.134 3.100) 5.514 18.635 ( 1.232 0.709 1.091) 1.791 18.961 ( -4.987 5.934 -6.979) 10.430 19.093 ( 0.532 -6.500 -9.208) 11.283 ======================= Grid point 63 (34/78) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 5.097 6.727 5.313) 9.973 1.013 ( 4.218 0.621 4.820) 6.435 1.071 ( 3.761 -3.190 -1.166) 5.068 1.122 ( 4.438 -7.085 0.214) 8.363 1.297 ( 0.420 3.174 -0.998) 3.353 1.352 ( 3.772 0.875 -2.359) 4.535 1.446 ( 2.825 -0.655 0.605) 2.962 1.517 ( 3.774 -7.142 2.563) 8.475 1.615 ( 1.230 1.573 -0.442) 2.045 1.648 ( -0.990 -1.587 1.100) 2.170 1.813 ( 1.531 0.919 0.782) 1.949 1.823 ( -0.596 -0.024 -3.122) 3.179 1.906 ( -1.855 -0.045 0.473) 1.915 1.942 ( -4.144 -1.790 -0.289) 4.523 2.027 ( -1.173 -0.008 0.554) 1.298 2.042 ( -1.389 -0.919 -1.909) 2.533 2.107 ( 1.842 3.305 0.800) 3.867 2.195 ( 3.665 -2.399 -0.147) 4.383 2.252 ( 3.176 5.284 5.728) 8.415 2.321 ( -0.663 1.222 2.272) 2.664 2.377 ( 2.199 2.517 2.422) 4.128 2.433 ( -1.421 4.535 2.770) 5.501 2.496 ( -0.225 -3.681 4.080) 5.500 2.541 ( 4.483 -4.648 3.840) 7.513 2.555 ( -1.336 -0.253 -0.746) 1.551 2.589 ( -3.612 -2.373 -0.599) 4.363 2.684 ( 2.435 3.455 2.862) 5.105 2.726 ( 4.487 -1.742 -1.717) 5.111 2.821 ( 0.457 2.076 -5.491) 5.888 2.857 ( 2.951 -3.767 0.850) 4.860 2.962 ( 1.332 4.337 -7.498) 8.764 3.051 ( 1.933 -0.410 -5.583) 5.922 3.092 ( 5.227 3.414 -2.498) 6.724 3.167 ( 4.390 -4.653 -4.767) 7.978 3.302 ( -0.222 3.310 -3.444) 4.782 3.364 ( 0.107 -1.978 -3.379) 3.917 3.454 ( -3.640 3.150 -3.168) 5.763 3.531 ( -1.242 -2.888 -1.586) 3.521 3.574 ( 1.958 1.167 0.717) 2.390 3.599 ( 3.533 -1.386 1.569) 4.107 3.649 ( -3.944 0.417 3.448) 5.255 3.681 ( -2.453 -2.355 3.645) 4.985 3.798 ( -3.519 1.545 1.654) 4.184 3.846 ( -1.181 -1.195 1.247) 2.092 3.990 ( 0.229 3.179 1.321) 3.450 4.044 ( -0.146 -1.264 1.540) 1.998 4.131 ( -8.327 2.330 -3.009) 9.156 4.168 ( -10.922 -0.731 -2.910) 11.327 4.517 ( -2.511 4.125 2.593) 5.481 4.597 ( 2.331 -2.735 4.728) 5.939 4.836 ( -1.780 7.694 -4.297) 8.991 4.999 ( -4.677 -7.027 -4.024) 9.352 5.199 ( -1.436 7.266 4.806) 8.829 5.325 ( -3.672 -2.452 0.767) 4.482 5.627 ( -2.546 4.132 3.384) 5.917 5.840 ( -7.559 -13.180 -1.638) 15.282 6.707 ( -0.198 1.504 1.205) 1.937 6.751 ( 0.488 -2.263 1.709) 2.878 7.059 ( 2.851 3.483 0.754) 4.563 7.142 ( 3.208 -4.569 0.691) 5.625 7.488 ( -2.391 3.240 -0.847) 4.115 7.557 ( 0.155 -3.142 0.137) 3.149 7.862 ( -4.489 3.947 0.341) 5.987 7.926 ( -1.809 -2.084 2.071) 3.451 17.483 ( -0.086 0.543 -0.055) 0.553 17.506 ( -0.023 -1.646 -0.044) 1.647 17.816 ( 6.413 3.611 0.452) 7.374 17.856 ( 6.218 -0.214 0.218) 6.225 18.602 ( -3.002 3.858 -2.812) 5.640 18.672 ( -2.354 -2.540 -2.275) 4.143 18.871 ( 0.838 7.269 -1.056) 7.393 19.055 ( 0.395 -9.873 -4.150) 10.717 ======================= Grid point 64 (35/78) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.057 2.004 0.920) 2.206 1.046 ( 1.304 -4.794 -5.380) 7.324 1.178 ( 5.333 1.064 0.346) 5.449 1.231 ( 5.306 -3.081 2.035) 6.465 1.319 ( 0.654 5.434 4.439) 7.047 1.406 ( 0.095 -1.857 1.802) 2.589 1.490 ( 0.878 7.056 5.405) 8.931 1.613 ( 1.889 -5.453 5.206) 7.772 1.641 ( 3.052 0.918 -2.231) 3.891 1.674 ( 2.513 -2.560 1.651) 3.949 1.795 ( -0.254 0.458 -1.798) 1.873 1.797 ( -3.189 -1.781 -2.098) 4.212 1.847 ( -3.832 -0.506 0.686) 3.925 1.881 ( -0.700 -2.206 -1.684) 2.862 1.966 ( 0.011 0.140 -0.095) 0.169 2.033 ( -1.023 -4.037 -2.682) 4.954 2.142 ( 0.974 1.179 0.639) 1.657 2.186 ( -3.503 -2.155 0.667) 4.167 2.278 ( -2.132 1.700 3.227) 4.224 2.333 ( 1.360 -2.670 2.567) 3.946 2.422 ( -2.201 3.654 3.920) 5.793 2.492 ( -2.035 -2.308 0.872) 3.198 2.548 ( 3.759 3.928 0.886) 5.509 2.570 ( 3.173 1.653 1.544) 3.897 2.579 ( 4.654 1.834 4.537) 6.754 2.661 ( 3.301 -1.899 -2.469) 4.539 2.718 ( 1.957 2.098 -0.280) 2.883 2.781 ( 1.068 -3.920 0.552) 4.100 2.830 ( 4.571 6.371 -0.274) 7.846 2.936 ( 6.488 2.448 -6.280) 9.356 2.952 ( 2.233 -1.850 -1.946) 3.492 3.018 ( 0.057 -0.632 -4.941) 4.982 3.148 ( 3.502 2.927 -3.818) 5.951 3.200 ( 1.876 -1.945 -5.706) 6.314 3.311 ( -2.623 1.944 -2.758) 4.274 3.321 ( 2.058 0.731 -0.536) 2.249 3.356 ( -2.400 1.444 -2.749) 3.925 3.477 ( -4.471 -5.814 -2.298) 7.686 3.562 ( -1.873 1.807 1.153) 2.847 3.597 ( -1.812 -1.554 1.190) 2.667 3.670 ( 0.805 1.978 4.161) 4.677 3.705 ( 2.003 -1.629 1.700) 3.091 3.742 ( -2.899 2.426 -0.449) 3.806 3.802 ( -2.470 -1.419 -3.261) 4.330 3.935 ( -9.027 2.856 2.042) 9.685 3.981 ( -5.388 -1.623 3.331) 6.539 4.034 ( 0.482 1.965 -1.379) 2.449 4.071 ( 0.828 -0.993 -0.277) 1.322 4.480 ( -3.240 7.350 2.961) 8.561 4.645 ( -1.505 -7.811 3.153) 8.557 4.773 ( -1.202 7.242 -1.922) 7.589 4.902 ( -2.120 -5.074 -2.144) 5.902 5.193 ( -1.532 3.859 2.194) 4.696 5.288 ( -1.821 -5.233 1.232) 5.676 5.632 ( 0.631 2.041 0.960) 2.342 5.725 ( -3.465 -6.247 -1.561) 7.312 6.712 ( -0.416 1.731 1.668) 2.440 6.768 ( -0.224 -3.024 2.109) 3.694 7.122 ( 2.708 2.473 0.595) 3.715 7.184 ( 1.092 -3.628 -0.468) 3.817 7.431 ( -2.547 5.226 -0.430) 5.829 7.553 ( -0.048 -5.883 -0.889) 5.950 7.794 ( -2.833 6.476 0.433) 7.082 7.904 ( -1.794 -3.912 0.813) 4.379 17.490 ( 0.356 0.025 1.109) 1.165 17.508 ( -0.007 -1.753 1.076) 2.057 17.920 ( 4.422 5.343 -1.392) 7.074 17.965 ( 4.759 1.371 -1.055) 5.064 18.533 ( -1.472 2.305 -1.322) 3.038 18.580 ( -3.239 -1.873 -1.224) 3.936 18.920 ( 2.798 2.423 -0.092) 3.702 19.024 ( -1.336 -6.883 -2.558) 7.464 ======================= Grid point 65 (36/78) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.989 1.080 -3.534) 3.826 0.993 ( -1.954 -2.819 -8.099) 8.795 1.214 ( -1.910 1.798 0.057) 2.624 1.275 ( -1.881 -3.837 3.113) 5.287 1.380 ( -2.463 3.078 4.600) 6.058 1.412 ( 1.756 1.266 5.042) 5.487 1.553 ( -0.213 4.120 3.546) 5.440 1.614 ( -5.489 -3.978 4.377) 8.069 1.662 ( -1.057 1.043 -0.218) 1.501 1.713 ( -0.266 -1.384 -0.305) 1.442 1.741 ( 3.623 -1.536 -2.379) 4.598 1.775 ( 2.110 -3.610 0.733) 4.245 1.825 ( 2.180 4.188 -0.596) 4.759 1.943 ( 1.494 -5.666 0.806) 5.915 2.007 ( 5.168 0.504 0.668) 5.235 2.045 ( 3.552 -2.619 0.685) 4.466 2.126 ( -1.779 0.401 3.302) 3.773 2.174 ( 0.145 -2.484 3.270) 4.108 2.275 ( -1.754 3.788 3.498) 5.446 2.361 ( -2.224 0.603 0.114) 2.307 2.389 ( -1.524 -0.669 1.778) 2.435 2.435 ( -4.279 -1.693 -1.360) 4.798 2.567 ( -4.227 3.822 -0.037) 5.698 2.579 ( -2.439 1.478 -0.557) 2.906 2.609 ( -1.822 -1.175 1.995) 2.946 2.646 ( 0.166 -2.858 -4.449) 5.291 2.773 ( 1.355 3.359 0.701) 3.689 2.835 ( 1.481 -1.677 1.682) 2.799 2.900 ( -4.130 4.332 -2.754) 6.588 2.954 ( 3.247 1.578 -2.633) 4.468 2.983 ( 5.496 1.184 -3.365) 6.552 3.002 ( 0.642 -0.329 -2.784) 2.876 3.184 ( 4.717 2.314 -4.774) 7.100 3.212 ( 4.003 1.519 -3.791) 5.718 3.271 ( 2.069 1.771 -2.591) 3.759 3.328 ( -0.454 -0.997 0.867) 1.397 3.339 ( -3.169 -1.057 -3.318) 4.708 3.392 ( 3.112 -4.233 0.454) 5.274 3.570 ( 1.254 2.212 0.913) 2.702 3.623 ( -0.277 -1.065 1.753) 2.070 3.666 ( 1.155 0.264 -1.897) 2.236 3.674 ( -4.071 0.568 -2.339) 4.729 3.728 ( 0.329 1.349 0.421) 1.450 3.789 ( 3.533 -2.856 0.545) 4.575 3.840 ( -4.124 4.782 4.290) 7.634 3.917 ( -3.257 -2.761 2.195) 4.801 4.052 ( 1.483 2.406 -0.930) 2.975 4.083 ( 0.367 -0.144 0.107) 0.408 4.452 ( -1.656 7.155 2.392) 7.723 4.610 ( -2.273 -5.717 0.321) 6.160 4.774 ( 1.873 4.000 0.871) 4.502 4.909 ( 2.819 -7.244 0.630) 7.799 5.185 ( -1.038 2.569 1.824) 3.317 5.268 ( -1.136 -5.429 1.035) 5.643 5.637 ( -1.092 1.077 -1.026) 1.845 5.673 ( 0.037 -2.434 -2.436) 3.444 6.721 ( -0.129 1.755 2.443) 3.011 6.777 ( -0.551 -3.104 2.507) 4.028 7.126 ( -1.766 2.494 -1.763) 3.529 7.195 ( 0.390 -4.086 -0.866) 4.195 7.415 ( 0.886 6.788 1.241) 6.957 7.546 ( -0.065 -4.483 -1.100) 4.616 7.772 ( 0.189 4.491 0.793) 4.564 7.872 ( -1.400 -4.194 -0.886) 4.509 17.507 ( 0.111 0.050 2.081) 2.084 17.524 ( 0.371 -1.644 2.345) 2.888 17.938 ( -0.604 5.607 -3.402) 6.586 17.981 ( -1.258 1.927 -3.754) 4.403 18.562 ( 3.793 0.702 3.065) 4.927 18.578 ( 2.162 -0.780 3.160) 3.908 18.926 ( -2.075 0.387 -2.983) 3.655 18.992 ( 1.465 -5.462 -2.706) 6.269 ======================= Grid point 66 (37/78) ======================= q-point: (-0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -5.443 2.848 -8.967) 10.869 0.901 ( -0.874 -0.750 -3.173) 3.375 1.140 ( -6.571 2.302 1.605) 7.145 1.255 ( -2.175 -6.978 3.824) 8.249 1.328 ( -4.140 1.812 1.778) 4.856 1.411 ( -5.889 -5.185 0.047) 7.846 1.516 ( -0.252 3.492 1.223) 3.709 1.594 ( -1.852 -2.448 3.534) 4.682 1.688 ( 0.809 -0.016 5.624) 5.682 1.730 ( 1.311 -0.795 4.533) 4.786 1.817 ( 2.468 1.202 0.400) 2.774 1.851 ( 6.411 -1.935 -1.087) 6.785 1.899 ( 3.757 1.328 1.233) 4.171 1.936 ( -0.952 -2.857 2.253) 3.761 2.083 ( -0.660 -0.905 0.526) 1.237 2.096 ( 0.650 -1.357 -1.145) 1.890 2.170 ( 0.938 0.996 -0.427) 1.433 2.171 ( -3.011 1.269 1.938) 3.799 2.248 ( -2.307 4.979 2.342) 5.967 2.285 ( -5.652 5.620 -0.406) 7.981 2.334 ( -0.617 1.114 -3.323) 3.559 2.378 ( -3.873 -0.622 -0.620) 3.971 2.415 ( -5.442 -1.695 -0.434) 5.716 2.498 ( -5.166 -1.189 0.560) 5.331 2.575 ( -1.955 1.270 0.006) 2.331 2.636 ( -0.579 -4.540 0.431) 4.597 2.711 ( -5.792 3.549 -0.242) 6.798 2.809 ( -4.282 -3.679 0.335) 5.656 2.886 ( 1.994 0.772 -0.273) 2.156 2.924 ( -2.385 -4.780 -0.570) 5.373 3.033 ( 4.494 2.732 -2.270) 5.728 3.076 ( 3.629 -0.282 -2.228) 4.267 3.188 ( -0.829 2.089 -4.087) 4.664 3.217 ( -0.827 0.313 -5.078) 5.155 3.279 ( 4.286 1.561 -3.610) 5.817 3.319 ( 5.076 -1.878 -1.805) 5.705 3.456 ( 7.534 2.050 2.465) 8.188 3.484 ( 5.091 -0.786 1.197) 5.288 3.553 ( -3.427 1.671 -2.922) 4.804 3.569 ( -2.632 0.173 -1.007) 2.824 3.607 ( -0.051 2.800 -0.371) 2.825 3.679 ( 0.362 -1.179 -4.871) 5.025 3.778 ( 0.156 -1.540 2.220) 2.707 3.788 ( -3.658 -0.091 2.658) 4.522 3.893 ( 3.834 2.429 3.265) 5.591 3.936 ( 4.109 -1.495 0.443) 4.395 4.093 ( 3.660 2.222 0.326) 4.294 4.111 ( 4.939 1.173 1.677) 5.346 4.460 ( 0.697 6.295 1.507) 6.510 4.583 ( -1.110 -2.969 1.361) 3.450 4.862 ( 6.033 2.401 1.274) 6.617 4.975 ( 2.948 -7.351 0.531) 7.937 5.177 ( -1.196 1.753 1.803) 2.785 5.258 ( -0.533 -5.290 -0.140) 5.319 5.583 ( -2.066 5.250 -1.223) 5.773 5.710 ( 5.220 -6.665 -1.298) 8.565 6.745 ( 0.031 1.377 3.632) 3.884 6.786 ( -0.664 -2.309 2.955) 3.809 7.070 ( -2.270 4.143 -1.589) 4.985 7.165 ( -2.262 -4.812 -1.799) 5.613 7.464 ( 2.471 4.416 0.932) 5.145 7.527 ( -0.818 -0.465 -1.685) 1.930 7.808 ( 2.358 0.718 1.010) 2.664 7.850 ( 0.496 -2.536 -1.152) 2.830 17.527 ( 0.025 0.758 2.865) 2.964 17.551 ( 0.157 -1.459 2.834) 3.191 17.859 ( -4.615 3.946 -3.612) 7.066 17.892 ( -4.252 0.860 -3.869) 5.813 18.643 ( 1.521 1.583 2.992) 3.711 18.683 ( 2.929 -1.893 1.984) 4.012 18.858 ( 0.166 6.056 -2.415) 6.522 19.025 ( 4.609 -9.360 -3.434) 10.984 ======================= Grid point 67 (38/78) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -4.736 10.086 -6.351) 12.826 0.880 ( -0.158 -1.147 -0.552) 1.283 1.007 ( -7.843 1.650 0.911) 8.066 1.221 ( -6.233 -9.497 3.140) 11.785 1.306 ( -0.110 -4.317 2.388) 4.934 1.312 ( -0.424 -2.330 -3.366) 4.116 1.524 ( -1.392 2.938 3.073) 4.474 1.573 ( -3.053 -0.620 1.966) 3.684 1.736 ( -3.102 1.130 6.548) 7.333 1.741 ( -4.337 2.469 5.581) 7.487 1.848 ( -0.668 1.980 -1.712) 2.701 1.896 ( -2.486 -1.104 -2.684) 3.821 1.941 ( -1.079 2.539 2.685) 3.850 1.984 ( -3.102 -0.156 -1.621) 3.504 1.994 ( 4.359 -0.093 0.784) 4.430 2.046 ( 1.951 -1.273 -0.421) 2.367 2.110 ( -6.583 6.228 2.001) 9.280 2.180 ( 0.803 0.348 1.684) 1.898 2.207 ( -2.082 5.164 1.829) 5.861 2.239 ( 3.561 -1.796 -1.862) 4.402 2.301 ( -0.539 1.927 -4.192) 4.645 2.346 ( -5.747 -7.170 1.242) 9.272 2.380 ( 0.721 -2.145 -0.441) 2.305 2.419 ( -2.404 -8.228 0.032) 8.572 2.544 ( -3.020 1.654 -0.161) 3.446 2.574 ( -1.108 -1.594 -0.058) 1.942 2.668 ( -0.935 0.391 0.897) 1.353 2.718 ( -4.446 -3.668 0.925) 5.838 2.871 ( -3.940 4.273 -2.060) 6.167 2.923 ( 1.680 0.637 -0.736) 1.941 3.036 ( -2.394 0.153 -4.503) 5.102 3.065 ( 0.340 -1.822 -1.768) 2.561 3.174 ( 1.990 2.811 -5.119) 6.169 3.214 ( 1.770 -1.038 0.156) 2.058 3.343 ( 4.346 1.822 -4.435) 6.471 3.384 ( 3.521 -1.931 -3.115) 5.082 3.477 ( -1.299 2.130 -1.947) 3.165 3.518 ( -0.555 -1.416 -1.324) 2.017 3.585 ( 3.655 1.681 -1.512) 4.298 3.598 ( 2.076 1.926 -0.387) 2.858 3.632 ( 2.585 -0.493 0.135) 2.635 3.641 ( 1.356 0.570 2.039) 2.514 3.738 ( -3.158 -0.741 3.281) 4.614 3.755 ( -3.761 -2.808 4.820) 6.728 3.962 ( 1.021 1.784 -0.242) 2.070 3.981 ( 2.697 -0.062 -1.014) 2.882 4.194 ( 6.622 7.279 0.127) 9.842 4.316 ( 11.910 -3.451 0.982) 12.438 4.473 ( -0.114 6.631 0.169) 6.635 4.597 ( -0.103 -4.046 4.564) 6.100 4.954 ( 3.049 7.295 -3.888) 8.811 5.039 ( 2.396 1.836 4.748) 5.626 5.195 ( 2.450 -6.843 3.599) 8.110 5.241 ( 0.276 -8.924 -3.524) 9.599 5.585 ( 2.942 12.222 0.592) 12.585 5.846 ( 9.307 -11.877 0.065) 15.089 6.758 ( -1.675 1.280 2.993) 3.661 6.803 ( -0.669 -3.069 4.687) 5.643 7.027 ( -1.476 3.272 -0.495) 3.623 7.101 ( -2.914 -3.692 -1.358) 4.896 7.484 ( -0.516 2.379 -2.328) 3.368 7.503 ( -0.219 0.876 -0.178) 0.920 7.846 ( 2.625 2.333 -0.535) 3.552 7.902 ( 3.661 -2.551 1.595) 4.738 17.545 ( -0.745 1.178 2.269) 2.663 17.563 ( -1.163 -0.350 2.702) 2.963 17.733 ( -5.480 3.316 -3.254) 7.184 17.794 ( -3.213 -2.303 -2.144) 4.497 18.619 ( -4.421 1.221 -2.971) 5.465 18.648 ( -3.257 -1.246 -0.965) 3.618 18.957 ( 7.647 6.567 0.770) 10.109 19.112 ( 6.780 -7.874 -3.658) 11.015 ======================= Grid point 68 (39/78) ======================= q-point: (-0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 1.741 15.722 -1.859) 15.927 0.828 ( -7.605 14.552 2.416) 16.596 0.935 ( 2.186 -13.591 -1.743) 13.876 1.111 ( -5.724 -11.489 0.465) 12.845 1.282 ( -1.217 4.653 2.339) 5.348 1.357 ( 1.428 -4.859 0.153) 5.067 1.463 ( -5.908 8.442 2.526) 10.609 1.564 ( 1.563 -1.336 1.069) 2.317 1.642 ( -7.019 0.666 1.353) 7.179 1.676 ( -8.206 -2.391 0.234) 8.550 1.749 ( -2.441 5.567 -1.806) 6.342 1.859 ( 0.552 -0.512 -0.845) 1.132 1.911 ( -1.426 -1.218 -1.773) 2.581 1.973 ( -2.525 -5.891 2.817) 7.001 2.056 ( -0.156 2.115 1.340) 2.509 2.070 ( -0.554 2.365 3.244) 4.052 2.135 ( 3.290 -0.317 3.045) 4.494 2.188 ( -1.346 -1.491 1.044) 2.264 2.206 ( 1.394 0.670 1.325) 2.036 2.257 ( -0.360 -3.214 -2.115) 3.865 2.278 ( 0.415 0.325 -0.146) 0.547 2.313 ( 1.814 -5.986 2.571) 6.763 2.360 ( 0.821 1.088 -0.946) 1.659 2.392 ( -0.066 -2.785 -2.120) 3.500 2.530 ( -1.593 1.926 3.427) 4.241 2.564 ( -1.235 -0.935 1.139) 1.923 2.654 ( -0.331 -0.122 -0.894) 0.961 2.675 ( 0.081 -2.154 1.686) 2.737 2.800 ( -1.858 3.774 -0.318) 4.219 2.898 ( -3.192 -4.639 -1.590) 5.851 2.969 ( -0.704 3.930 -2.653) 4.794 3.046 ( -0.229 -3.028 -5.264) 6.077 3.149 ( 0.321 4.608 -7.259) 8.604 3.231 ( -0.125 -2.307 -0.578) 2.381 3.362 ( 1.489 2.546 -4.181) 5.117 3.407 ( 1.559 -1.434 -3.790) 4.342 3.467 ( 1.297 2.362 -2.612) 3.753 3.517 ( 1.056 -1.870 -3.172) 3.830 3.561 ( 0.088 3.127 -3.438) 4.648 3.595 ( 0.713 -0.817 -0.245) 1.111 3.668 ( -1.548 1.406 5.171) 5.578 3.708 ( -1.001 -2.007 4.440) 4.974 3.754 ( -0.111 0.096 5.901) 5.902 3.772 ( 2.307 -1.355 4.475) 5.214 3.969 ( 0.538 2.911 -0.667) 3.035 4.023 ( 2.318 -1.879 -0.805) 3.091 4.293 ( 3.589 9.726 0.028) 10.368 4.435 ( 1.445 0.446 -2.938) 3.305 4.527 ( 5.775 -0.607 -0.994) 5.891 4.612 ( -2.055 -6.084 3.392) 7.263 4.952 ( 0.734 11.968 -4.530) 12.817 5.094 ( -0.390 8.687 5.916) 10.517 5.217 ( 1.534 -10.561 -6.255) 12.370 5.333 ( 5.676 -12.735 7.138) 15.664 5.682 ( 5.738 16.400 0.385) 17.378 6.017 ( 7.927 -14.567 -0.571) 16.593 6.731 ( -2.803 1.967 1.899) 3.915 6.807 ( -2.997 -5.575 4.116) 7.550 7.008 ( -0.455 1.304 0.173) 1.392 7.051 ( -1.926 -2.754 0.259) 3.371 7.459 ( -0.066 3.485 -0.615) 3.540 7.493 ( -0.355 0.213 -0.222) 0.470 7.912 ( 3.619 3.182 0.795) 4.885 7.972 ( 2.210 -2.513 1.233) 3.567 17.513 ( -2.705 1.351 0.258) 3.034 17.543 ( -3.149 -1.389 1.036) 3.595 17.644 ( -1.672 5.060 -0.703) 5.375 17.751 ( -0.630 -4.885 -0.795) 4.989 18.526 ( -2.468 2.189 -1.393) 3.581 18.574 ( -2.701 -2.415 -0.931) 3.741 19.077 ( 4.997 5.925 -2.404) 8.115 19.181 ( 4.153 -3.387 -7.169) 8.951 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 8.338 0.000 14.448) 16.682 0.701 ( 1.114 0.000 17.839) 17.874 1.087 ( -7.913 0.000 -12.327) 14.648 1.178 ( -2.099 0.000 24.818) 24.907 1.295 ( -1.236 0.000 3.147) 3.380 1.343 ( -0.358 0.000 -8.632) 8.640 1.455 ( 1.352 0.000 -4.513) 4.711 1.528 ( 2.756 0.000 3.704) 4.617 1.698 ( -5.288 0.000 -4.947) 7.241 1.721 ( 1.842 0.000 1.805) 2.579 1.768 ( 4.598 0.000 4.752) 6.612 1.847 ( -2.164 0.000 -3.663) 4.255 1.903 ( 3.966 0.000 3.644) 5.386 1.930 ( -1.113 0.000 2.936) 3.140 2.024 ( -3.788 0.000 -1.961) 4.265 2.029 ( -3.653 0.000 2.375) 4.358 2.106 ( 1.546 0.000 -2.558) 2.989 2.222 ( -0.223 0.000 -5.454) 5.458 2.276 ( -0.225 0.000 -1.032) 1.056 2.289 ( -2.155 0.000 -1.740) 2.770 2.362 ( -0.324 0.000 2.768) 2.787 2.391 ( -1.255 0.000 4.345) 4.522 2.403 ( 3.815 0.000 -10.753) 11.410 2.437 ( 3.202 0.000 -0.282) 3.214 2.452 ( 2.497 0.000 -2.071) 3.244 2.664 ( 0.729 0.000 -7.886) 7.920 2.682 ( 1.681 0.000 5.149) 5.416 2.758 ( -1.188 0.000 1.484) 1.901 2.771 ( -3.654 0.000 -2.589) 4.479 2.827 ( -1.041 0.000 7.420) 7.493 2.985 ( -0.278 0.000 -5.203) 5.211 2.999 ( 0.613 0.000 3.677) 3.728 3.045 ( -2.272 0.000 -3.581) 4.241 3.183 ( 0.592 0.000 1.727) 1.826 3.205 ( 3.236 0.000 -1.418) 3.533 3.299 ( -0.859 0.000 -8.269) 8.313 3.377 ( -0.914 0.000 0.697) 1.150 3.388 ( 3.876 0.000 -0.290) 3.887 3.528 ( 1.848 0.000 1.060) 2.130 3.628 ( -0.019 0.000 -3.025) 3.025 3.731 ( -0.263 0.000 4.453) 4.461 3.751 ( 0.417 0.000 5.844) 5.859 3.904 ( -1.166 0.000 -2.031) 2.342 3.910 ( -1.613 0.000 2.401) 2.893 3.921 ( 3.319 0.000 -4.346) 5.468 4.035 ( -0.119 0.000 -2.988) 2.990 4.237 ( 2.668 0.000 2.671) 3.775 4.249 ( 2.680 0.000 6.209) 6.763 4.502 ( 2.965 0.000 -1.624) 3.381 4.638 ( -6.730 0.000 -3.674) 7.668 4.778 ( -8.208 0.000 5.760) 10.028 5.000 ( -0.910 0.000 5.154) 5.234 5.151 ( 2.591 0.000 -8.372) 8.764 5.199 ( 1.791 0.000 -8.788) 8.969 6.065 ( -3.733 0.000 11.992) 12.560 6.401 ( 4.787 0.000 -4.128) 6.321 6.771 ( -1.943 0.000 4.612) 5.004 6.940 ( -0.580 0.000 -3.795) 3.839 7.089 ( 7.306 0.000 -0.333) 7.313 7.127 ( -13.728 0.000 -2.455) 13.946 7.407 ( -1.567 0.000 3.113) 3.485 7.454 ( 3.869 0.000 0.905) 3.974 8.001 ( 2.475 0.000 -0.201) 2.483 8.006 ( -3.532 0.000 -0.493) 3.567 17.479 ( 1.562 0.000 0.326) 1.596 17.493 ( -1.976 0.000 -0.383) 2.013 17.608 ( -0.584 0.000 4.068) 4.110 17.790 ( 0.219 0.000 -4.575) 4.580 18.503 ( 4.764 0.000 2.047) 5.185 18.580 ( -3.982 0.000 -1.666) 4.317 18.772 ( 16.678 0.000 2.003) 16.798 18.882 ( -5.656 0.000 -3.229) 6.513 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 11.012 0.000 13.533) 17.447 0.889 ( 4.883 0.000 14.575) 15.371 0.932 ( 1.602 0.000 -10.436) 10.558 1.212 ( 0.308 0.000 -12.762) 12.765 1.321 ( 0.914 0.000 2.952) 3.090 1.408 ( 3.640 0.000 12.147) 12.680 1.492 ( 0.125 0.000 -2.012) 2.016 1.581 ( 1.239 0.000 4.378) 4.550 1.596 ( 1.457 0.000 4.419) 4.654 1.782 ( 2.033 0.000 2.537) 3.251 1.803 ( -0.363 0.000 -2.370) 2.397 1.853 ( -6.580 0.000 0.284) 6.586 1.896 ( 5.451 0.000 4.522) 7.082 1.956 ( -1.440 0.000 -2.781) 3.132 1.959 ( -4.862 0.000 0.567) 4.895 2.021 ( 5.672 0.000 0.211) 5.676 2.127 ( 1.824 0.000 -2.048) 2.743 2.165 ( 2.768 0.000 -9.555) 9.948 2.230 ( -2.237 0.000 -1.056) 2.473 2.287 ( 1.742 0.000 0.408) 1.789 2.349 ( -1.926 0.000 3.493) 3.989 2.373 ( -0.968 0.000 -6.019) 6.096 2.432 ( 2.806 0.000 -0.608) 2.871 2.432 ( -3.412 0.000 -2.749) 4.381 2.508 ( 2.550 0.000 3.756) 4.540 2.628 ( 1.322 0.000 -8.142) 8.249 2.703 ( -3.787 0.000 7.006) 7.964 2.744 ( 0.562 0.000 2.572) 2.633 2.755 ( 1.075 0.000 -0.218) 1.097 2.882 ( 1.100 0.000 4.384) 4.519 2.892 ( -1.653 0.000 -7.544) 7.723 2.990 ( -2.288 0.000 -1.710) 2.857 3.024 ( -1.974 0.000 4.230) 4.668 3.232 ( 0.043 0.000 -2.768) 2.769 3.250 ( 2.859 0.000 -9.262) 9.693 3.263 ( 6.864 0.000 3.463) 7.688 3.403 ( 4.226 0.000 -0.130) 4.228 3.459 ( -0.207 0.000 -2.596) 2.604 3.557 ( -0.008 0.000 1.162) 1.163 3.592 ( 0.873 0.000 -3.106) 3.226 3.745 ( -1.681 0.000 3.784) 4.141 3.797 ( -0.402 0.000 5.755) 5.769 3.862 ( -3.437 0.000 -1.048) 3.593 3.866 ( -0.773 0.000 -2.790) 2.895 3.926 ( -1.463 0.000 -0.898) 1.716 3.991 ( -1.494 0.000 -2.580) 2.981 4.274 ( -3.131 0.000 -0.445) 3.162 4.288 ( 0.423 0.000 0.059) 0.427 4.455 ( -6.108 0.000 -0.888) 6.173 4.576 ( -3.905 0.000 0.888) 4.005 4.674 ( -1.090 0.000 9.797) 9.857 5.051 ( 1.378 0.000 5.485) 5.655 5.116 ( -2.215 0.000 -9.937) 10.181 5.199 ( 6.337 0.000 -4.314) 7.666 6.006 ( -10.057 0.000 10.553) 14.578 6.357 ( -7.153 0.000 -6.614) 9.742 6.783 ( -1.220 0.000 4.485) 4.648 6.905 ( 0.326 0.000 -2.312) 2.335 6.906 ( -6.537 0.000 3.147) 7.255 7.255 ( 7.672 0.000 1.689) 7.856 7.394 ( -1.664 0.000 1.242) 2.076 7.538 ( 4.702 0.000 -1.153) 4.841 7.890 ( -8.272 0.000 -0.676) 8.299 8.008 ( -0.963 0.000 1.937) 2.163 17.476 ( 0.557 0.000 -0.371) 0.669 17.535 ( 3.668 0.000 0.757) 3.745 17.641 ( 0.606 0.000 4.059) 4.104 17.760 ( 0.225 0.000 -4.183) 4.189 18.498 ( -2.707 0.000 -2.455) 3.655 18.631 ( 6.910 0.000 1.924) 7.173 18.739 ( -5.294 0.000 -4.560) 6.987 19.067 ( 13.310 0.000 -6.663) 14.885 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 9.849 0.000 -6.068) 11.569 1.057 ( 0.043 0.000 -7.701) 7.701 1.086 ( 4.974 0.000 11.040) 12.109 1.187 ( 3.689 0.000 11.538) 12.113 1.344 ( -1.016 0.000 3.140) 3.300 1.419 ( -3.495 0.000 0.859) 3.599 1.500 ( 4.414 0.000 -3.914) 5.899 1.654 ( 0.302 0.000 2.310) 2.330 1.664 ( -4.332 0.000 -0.591) 4.373 1.782 ( 0.877 0.000 0.444) 0.983 1.782 ( -3.179 0.000 1.344) 3.451 1.849 ( 3.246 0.000 -2.375) 4.022 1.897 ( 0.114 0.000 -0.480) 0.493 2.011 ( 3.261 0.000 -0.079) 3.262 2.026 ( 10.707 0.000 11.944) 16.041 2.075 ( -1.107 0.000 1.357) 1.751 2.139 ( 1.785 0.000 -3.409) 3.848 2.181 ( 4.880 0.000 -6.745) 8.325 2.223 ( -0.266 0.000 2.731) 2.744 2.304 ( -1.972 0.000 3.556) 4.066 2.316 ( -2.716 0.000 -2.502) 3.693 2.363 ( 4.855 0.000 -3.554) 6.017 2.367 ( 2.189 0.000 -1.974) 2.948 2.485 ( 5.730 0.000 -2.780) 6.369 2.577 ( 0.330 0.000 6.799) 6.807 2.587 ( 0.332 0.000 -7.005) 7.013 2.680 ( -3.215 0.000 6.636) 7.374 2.748 ( -2.939 0.000 0.209) 2.946 2.782 ( 0.584 0.000 0.431) 0.725 2.867 ( 3.494 0.000 -5.672) 6.662 2.930 ( 1.676 0.000 1.104) 2.007 2.939 ( -1.237 0.000 0.195) 1.252 3.004 ( -1.807 0.000 3.071) 3.563 3.207 ( 2.778 0.000 -7.829) 8.307 3.245 ( 0.969 0.000 -3.192) 3.336 3.283 ( -11.483 0.000 -6.503) 13.197 3.434 ( 4.710 0.000 4.361) 6.419 3.500 ( 5.113 0.000 -0.028) 5.113 3.544 ( -1.294 0.000 -0.042) 1.294 3.617 ( 1.413 0.000 -1.411) 1.997 3.722 ( -3.172 0.000 2.372) 3.961 3.773 ( -4.500 0.000 -1.263) 4.674 3.822 ( -2.011 0.000 4.879) 5.277 3.847 ( 1.718 0.000 -3.243) 3.670 3.856 ( -5.037 0.000 0.363) 5.050 3.974 ( 1.505 0.000 -1.276) 1.973 4.091 ( -10.686 0.000 -2.713) 11.025 4.286 ( -1.316 0.000 -0.938) 1.616 4.402 ( -9.802 0.000 0.694) 9.826 4.458 ( 1.682 0.000 2.527) 3.036 4.821 ( 4.592 0.000 8.966) 10.073 5.000 ( -2.425 0.000 -6.464) 6.904 5.125 ( 2.066 0.000 5.191) 5.587 5.302 ( 7.545 0.000 -3.610) 8.364 5.888 ( -10.097 0.000 9.166) 13.637 6.076 ( -14.278 0.000 -8.368) 16.549 6.796 ( -0.900 0.000 3.759) 3.865 6.892 ( -0.633 0.000 5.276) 5.314 6.935 ( 3.921 0.000 -0.308) 3.933 7.355 ( 2.439 0.000 -0.061) 2.440 7.372 ( -1.207 0.000 0.247) 1.232 7.538 ( -4.985 0.000 -7.787) 9.246 7.762 ( -2.299 0.000 3.193) 3.934 8.004 ( -1.165 0.000 1.845) 2.182 17.503 ( 2.144 0.000 0.325) 2.168 17.608 ( 3.377 0.000 -0.007) 3.377 17.681 ( 0.504 0.000 3.041) 3.082 17.738 ( 0.429 0.000 -3.267) 3.295 18.458 ( 0.093 0.000 -0.902) 0.907 18.654 ( -1.461 0.000 -0.198) 1.475 18.775 ( 7.610 0.000 -0.053) 7.611 19.151 ( 2.614 0.000 -8.344) 8.744 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.437 0.000 -6.465) 6.623 1.114 ( 1.804 0.000 0.943) 2.036 1.239 ( 8.099 0.000 1.582) 8.252 1.316 ( -5.257 0.000 4.563) 6.961 1.354 ( -0.513 0.000 5.103) 5.129 1.391 ( 0.343 0.000 15.907) 15.911 1.538 ( 4.544 0.000 -7.810) 9.036 1.597 ( -4.445 0.000 -0.161) 4.448 1.607 ( 0.328 0.000 -0.880) 0.939 1.732 ( -3.801 0.000 0.045) 3.801 1.809 ( 1.789 0.000 1.290) 2.205 1.893 ( 3.400 0.000 -0.090) 3.401 1.919 ( -0.596 0.000 -2.325) 2.400 1.993 ( 0.167 0.000 3.570) 3.574 2.118 ( 1.815 0.000 3.082) 3.576 2.135 ( 1.355 0.000 -4.562) 4.759 2.175 ( -3.268 0.000 1.737) 3.701 2.250 ( 5.090 0.000 -0.578) 5.123 2.281 ( -1.588 0.000 3.517) 3.859 2.305 ( 3.045 0.000 5.619) 6.391 2.361 ( 4.655 0.000 0.957) 4.753 2.366 ( 1.419 0.000 -4.863) 5.065 2.432 ( 2.910 0.000 -8.558) 9.039 2.564 ( 2.842 0.000 -3.017) 4.145 2.606 ( 6.562 0.000 -1.746) 6.790 2.658 ( -3.264 0.000 -4.384) 5.466 2.680 ( 1.685 0.000 5.793) 6.033 2.705 ( 7.060 0.000 7.086) 10.002 2.758 ( -1.859 0.000 -0.498) 1.925 2.874 ( -13.118 0.000 -2.569) 13.367 2.887 ( 1.823 0.000 -2.580) 3.158 2.976 ( 5.042 0.000 0.343) 5.054 3.004 ( -2.408 0.000 -0.882) 2.565 3.060 ( -0.915 0.000 3.597) 3.711 3.220 ( 3.491 0.000 -6.973) 7.798 3.242 ( 0.263 0.000 0.917) 0.954 3.489 ( -0.213 0.000 0.336) 0.398 3.507 ( -0.936 0.000 -2.037) 2.242 3.578 ( 1.348 0.000 -1.357) 1.913 3.602 ( -1.403 0.000 -2.657) 3.005 3.670 ( -3.996 0.000 2.626) 4.781 3.681 ( -3.699 0.000 0.581) 3.744 3.740 ( -4.835 0.000 -0.657) 4.880 3.834 ( -2.144 0.000 5.185) 5.611 3.883 ( 3.474 0.000 -1.787) 3.907 3.908 ( -6.269 0.000 -2.083) 6.606 4.006 ( 2.182 0.000 -2.045) 2.991 4.154 ( -9.556 0.000 0.099) 9.557 4.336 ( 1.062 0.000 -1.914) 2.189 4.475 ( -1.812 0.000 -0.157) 1.819 4.955 ( 3.164 0.000 8.243) 8.829 4.990 ( 4.976 0.000 0.622) 5.014 5.188 ( 0.178 0.000 4.897) 4.900 5.416 ( 6.882 0.000 -3.175) 7.579 5.763 ( -9.839 0.000 5.832) 11.437 5.772 ( -10.109 0.000 -8.386) 13.134 6.794 ( -1.702 0.000 2.783) 3.263 6.932 ( -0.123 0.000 6.409) 6.410 7.017 ( 3.507 0.000 -1.296) 3.739 7.306 ( -7.577 0.000 -5.453) 9.336 7.351 ( -1.184 0.000 -0.189) 1.199 7.375 ( 0.069 0.000 -4.687) 4.687 7.808 ( 2.118 0.000 3.380) 3.989 7.987 ( -1.737 0.000 0.687) 1.868 17.551 ( 2.020 0.000 1.292) 2.398 17.652 ( 1.916 0.000 -1.247) 2.286 17.696 ( -0.946 0.000 1.513) 1.785 17.727 ( 0.775 0.000 -2.470) 2.588 18.496 ( 3.565 0.000 2.304) 4.245 18.670 ( 0.065 0.000 5.656) 5.656 18.901 ( 6.368 0.000 -3.223) 7.137 19.078 ( -2.534 0.000 -8.052) 8.441 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 2.264 0.000 0.593) 2.341 1.031 ( -8.391 0.000 -1.076) 8.459 1.201 ( -6.922 0.000 5.223) 8.671 1.326 ( -2.943 0.000 4.394) 5.288 1.429 ( 3.216 0.000 3.288) 4.599 1.539 ( 2.254 0.000 3.179) 3.897 1.567 ( 4.569 0.000 1.626) 4.850 1.575 ( 4.512 0.000 -6.021) 7.524 1.643 ( 3.042 0.000 -0.908) 3.175 1.648 ( -4.720 0.000 4.618) 6.603 1.874 ( 3.389 0.000 2.617) 4.282 1.911 ( 1.545 0.000 -1.117) 1.907 1.962 ( 2.214 0.000 3.404) 4.060 1.998 ( -4.096 0.000 1.182) 4.263 2.099 ( -2.116 0.000 -5.312) 5.718 2.107 ( -0.640 0.000 5.349) 5.387 2.226 ( 1.817 0.000 0.249) 1.834 2.259 ( -1.692 0.000 -0.500) 1.764 2.308 ( -1.401 0.000 2.460) 2.831 2.322 ( -2.433 0.000 2.368) 3.395 2.350 ( -6.711 0.000 -0.428) 6.725 2.353 ( -0.145 0.000 -1.612) 1.618 2.432 ( -1.967 0.000 1.424) 2.429 2.481 ( -10.876 0.000 -3.352) 11.381 2.558 ( 5.175 0.000 -9.342) 10.680 2.609 ( -5.245 0.000 -1.876) 5.571 2.679 ( 7.641 0.000 -3.418) 8.371 2.727 ( -2.628 0.000 6.349) 6.871 2.797 ( 7.765 0.000 -6.396) 10.060 2.932 ( -5.713 0.000 0.495) 5.734 2.947 ( 6.065 0.000 -0.895) 6.131 3.002 ( 8.665 0.000 4.504) 9.765 3.086 ( 5.538 0.000 -2.191) 5.955 3.169 ( 8.522 0.000 7.874) 11.602 3.205 ( -0.438 0.000 -4.354) 4.376 3.272 ( 1.617 0.000 1.293) 2.070 3.462 ( -2.095 0.000 -4.972) 5.396 3.464 ( -1.105 0.000 -3.900) 4.054 3.514 ( -2.555 0.000 -0.735) 2.659 3.526 ( -3.691 0.000 -2.173) 4.283 3.623 ( -3.614 0.000 3.074) 4.744 3.664 ( -2.574 0.000 2.813) 3.813 3.705 ( 2.485 0.000 -1.447) 2.875 3.831 ( -0.370 0.000 -2.225) 2.256 3.837 ( -1.464 0.000 5.295) 5.494 3.951 ( 5.133 0.000 0.077) 5.134 4.005 ( -5.404 0.000 -1.532) 5.617 4.008 ( 0.216 0.000 -2.815) 2.823 4.368 ( 3.199 0.000 0.058) 3.199 4.401 ( -4.281 0.000 -1.642) 4.585 5.053 ( -0.186 0.000 6.431) 6.433 5.165 ( 9.990 0.000 2.848) 10.388 5.213 ( 0.400 0.000 5.083) 5.099 5.435 ( -2.741 0.000 -5.593) 6.228 5.595 ( -11.324 0.000 2.001) 11.499 5.673 ( 6.426 0.000 -3.827) 7.479 6.793 ( -0.454 0.000 3.447) 3.477 6.960 ( -4.476 0.000 -4.715) 6.501 6.976 ( -0.746 0.000 7.696) 7.732 7.266 ( 4.676 0.000 -3.589) 5.895 7.321 ( -1.629 0.000 -0.777) 1.805 7.336 ( -0.859 0.000 -4.067) 4.157 7.870 ( 1.811 0.000 3.744) 4.159 7.949 ( -2.434 0.000 -0.443) 2.474 17.585 ( 0.061 0.000 1.892) 1.893 17.665 ( -2.944 0.000 0.769) 3.043 17.666 ( 0.611 0.000 -1.613) 1.724 17.734 ( 1.844 0.000 -1.994) 2.716 18.620 ( 6.306 0.000 5.019) 8.060 18.712 ( -1.271 0.000 7.541) 7.647 18.863 ( -5.994 0.000 -6.996) 9.213 19.053 ( 6.243 0.000 -8.158) 10.273 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -10.686 0.000 0.789) 10.715 0.959 ( -12.054 0.000 10.662) 16.093 1.246 ( 7.861 0.000 -1.810) 8.066 1.301 ( -1.641 0.000 3.457) 3.826 1.458 ( -1.857 0.000 4.233) 4.622 1.515 ( -6.976 0.000 -1.067) 7.058 1.534 ( -3.179 0.000 -0.239) 3.188 1.619 ( 1.631 0.000 -6.439) 6.642 1.710 ( 5.375 0.000 -4.076) 6.745 1.738 ( 3.201 0.000 8.322) 8.916 1.892 ( -4.983 0.000 -2.501) 5.575 1.919 ( -5.934 0.000 -6.222) 8.598 1.944 ( 1.335 0.000 1.239) 1.821 1.961 ( -0.245 0.000 7.227) 7.231 2.009 ( -4.308 0.000 4.676) 6.357 2.117 ( -8.739 0.000 -3.666) 9.477 2.167 ( 0.022 0.000 -0.993) 0.993 2.198 ( 0.512 0.000 3.977) 4.009 2.214 ( -1.998 0.000 -2.496) 3.197 2.220 ( -2.363 0.000 2.971) 3.796 2.345 ( 0.931 0.000 3.248) 3.379 2.358 ( -5.961 0.000 2.289) 6.385 2.423 ( -1.389 0.000 0.246) 1.410 2.446 ( 6.264 0.000 1.800) 6.518 2.524 ( -2.788 0.000 -1.033) 2.973 2.672 ( 8.798 0.000 -1.780) 8.977 2.710 ( -2.845 0.000 3.142) 4.239 2.785 ( -6.250 0.000 -0.122) 6.251 2.806 ( 6.887 0.000 -3.534) 7.741 2.874 ( 2.031 0.000 -5.392) 5.762 3.055 ( 5.057 0.000 -3.858) 6.361 3.062 ( -2.481 0.000 2.889) 3.808 3.069 ( -0.972 0.000 -6.625) 6.696 3.186 ( 3.446 0.000 -7.511) 8.264 3.282 ( -2.442 0.000 -3.054) 3.911 3.350 ( -3.960 0.000 -4.928) 6.322 3.411 ( 2.097 0.000 -1.127) 2.381 3.440 ( 9.261 0.000 2.648) 9.632 3.502 ( 0.866 0.000 0.890) 1.242 3.520 ( 1.087 0.000 2.633) 2.849 3.589 ( -1.572 0.000 3.499) 3.836 3.651 ( -1.300 0.000 3.726) 3.946 3.748 ( 1.781 0.000 0.811) 1.957 3.840 ( 3.486 0.000 -3.166) 4.709 3.861 ( 0.755 0.000 3.917) 3.989 3.937 ( -0.956 0.000 -1.091) 1.451 3.985 ( -0.153 0.000 -2.083) 2.088 4.105 ( 9.821 0.000 2.658) 10.175 4.322 ( -2.415 0.000 -0.836) 2.556 4.450 ( 4.823 0.000 0.670) 4.869 4.991 ( -8.286 0.000 2.036) 8.533 5.271 ( 0.143 0.000 -6.711) 6.713 5.341 ( 4.753 0.000 2.987) 5.614 5.380 ( 2.754 0.000 -2.647) 3.819 5.402 ( -7.504 0.000 6.761) 10.101 5.860 ( 13.435 0.000 -0.182) 13.436 6.834 ( 0.624 0.000 5.933) 5.966 6.887 ( -0.160 0.000 -2.291) 2.297 7.034 ( 1.195 0.000 9.119) 9.197 7.244 ( -1.543 0.000 -8.427) 8.568 7.284 ( -1.561 0.000 -0.540) 1.651 7.351 ( 2.880 0.000 -0.792) 2.987 7.890 ( -3.304 0.000 -1.125) 3.490 7.936 ( 2.264 0.000 3.623) 4.272 17.581 ( -1.669 0.000 1.680) 2.368 17.600 ( -3.813 0.000 -0.449) 3.839 17.657 ( -1.187 0.000 0.201) 1.204 17.764 ( 2.657 0.000 -1.616) 3.109 18.679 ( -7.359 0.000 -6.385) 9.743 18.723 ( -2.026 0.000 5.475) 5.838 18.790 ( 6.005 0.000 6.339) 8.732 19.078 ( 3.736 0.000 -13.705) 14.205 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -9.930 0.000 7.621) 12.518 0.779 ( -15.286 0.000 7.708) 17.120 1.251 ( -19.361 0.000 12.415) 23.000 1.314 ( 0.628 0.000 0.365) 0.727 1.364 ( 5.136 0.000 -4.783) 7.018 1.445 ( -2.476 0.000 4.551) 5.181 1.509 ( -0.722 0.000 2.795) 2.887 1.593 ( 1.041 0.000 -7.021) 7.098 1.701 ( -2.779 0.000 -6.525) 7.092 1.764 ( -6.056 0.000 -5.210) 7.989 1.806 ( 0.952 0.000 2.514) 2.688 1.855 ( -1.771 0.000 -2.536) 3.093 1.884 ( -5.732 0.000 -1.335) 5.885 1.968 ( 2.231 0.000 2.142) 3.093 2.020 ( -0.904 0.000 4.715) 4.801 2.032 ( 2.721 0.000 4.140) 4.954 2.164 ( -1.131 0.000 -1.065) 1.553 2.199 ( -5.567 0.000 6.229) 8.354 2.247 ( 5.046 0.000 0.735) 5.099 2.266 ( 2.231 0.000 3.591) 4.228 2.305 ( 1.176 0.000 -0.541) 1.294 2.341 ( -2.640 0.000 0.456) 2.679 2.385 ( -3.138 0.000 -0.460) 3.171 2.472 ( -2.430 0.000 0.397) 2.462 2.549 ( 4.943 0.000 -6.299) 8.007 2.659 ( -4.794 0.000 1.618) 5.059 2.718 ( -1.095 0.000 3.678) 3.837 2.794 ( 1.473 0.000 -4.861) 5.079 2.824 ( 3.257 0.000 -3.071) 4.477 2.853 ( -0.363 0.000 -2.912) 2.935 2.999 ( -0.197 0.000 -4.288) 4.292 3.004 ( -4.608 0.000 2.690) 5.335 3.130 ( 2.772 0.000 -3.700) 4.623 3.185 ( -1.409 0.000 -7.060) 7.199 3.216 ( 7.071 0.000 -7.015) 9.960 3.235 ( -4.165 0.000 -2.859) 5.052 3.463 ( 1.578 0.000 2.369) 2.846 3.501 ( -1.662 0.000 -0.439) 1.719 3.547 ( -2.192 0.000 1.550) 2.684 3.550 ( 2.846 0.000 0.916) 2.989 3.649 ( 3.063 0.000 2.440) 3.916 3.660 ( -0.565 0.000 4.657) 4.691 3.782 ( 2.217 0.000 0.587) 2.293 3.917 ( 5.619 0.000 -2.020) 5.971 3.927 ( 0.275 0.000 0.626) 0.684 3.955 ( 5.347 0.000 3.491) 6.386 3.975 ( 1.046 0.000 -2.044) 2.296 4.211 ( -1.740 0.000 1.020) 2.017 4.425 ( 13.389 0.000 2.478) 13.616 4.528 ( 2.860 0.000 -1.325) 3.152 4.853 ( -6.386 0.000 2.415) 6.827 5.197 ( -9.630 0.000 1.571) 9.757 5.203 ( -0.243 0.000 -6.679) 6.683 5.365 ( -0.942 0.000 -8.495) 8.547 5.635 ( 11.640 0.000 12.198) 16.860 6.115 ( 13.420 0.000 -2.039) 13.574 6.862 ( -2.715 0.000 4.381) 5.154 6.904 ( 2.748 0.000 -1.510) 3.136 7.140 ( -2.812 0.000 -7.057) 7.597 7.202 ( 7.566 0.000 10.480) 12.926 7.278 ( 1.665 0.000 3.951) 4.287 7.378 ( 1.008 0.000 -0.991) 1.413 7.816 ( -3.341 0.000 -0.511) 3.379 8.001 ( 2.086 0.000 2.179) 3.017 17.526 ( -3.370 0.000 -0.501) 3.407 17.558 ( -1.888 0.000 1.547) 2.441 17.629 ( -2.299 0.000 1.693) 2.855 17.799 ( 2.334 0.000 -2.220) 3.221 18.520 ( -4.998 0.000 -3.898) 6.338 18.707 ( -3.052 0.000 3.212) 4.431 18.924 ( 3.416 0.000 4.346) 5.527 18.942 ( -6.163 0.000 -18.275) 19.286 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -13.851 0.000 8.115) 16.054 0.613 ( -5.508 0.000 15.412) 16.366 1.103 ( -11.676 0.000 26.622) 29.070 1.299 ( -2.704 0.000 -0.943) 2.864 1.382 ( 2.422 0.000 -7.615) 7.991 1.382 ( -10.863 0.000 -7.054) 12.953 1.460 ( 0.585 0.000 3.908) 3.951 1.529 ( -2.237 0.000 -7.736) 8.053 1.650 ( 3.567 0.000 3.019) 4.674 1.701 ( 0.215 0.000 -1.095) 1.116 1.785 ( -1.019 0.000 -5.338) 5.435 1.844 ( -0.345 0.000 2.728) 2.750 1.865 ( 2.660 0.000 1.887) 3.261 1.966 ( -5.283 0.000 -1.185) 5.415 2.045 ( 0.949 0.000 3.554) 3.678 2.071 ( -3.145 0.000 3.757) 4.899 2.149 ( -1.401 0.000 -3.082) 3.385 2.195 ( 1.982 0.000 4.659) 5.064 2.297 ( 0.604 0.000 1.051) 1.212 2.305 ( -0.291 0.000 1.411) 1.441 2.314 ( -0.964 0.000 0.539) 1.104 2.359 ( 2.602 0.000 1.319) 2.917 2.365 ( 5.130 0.000 -1.554) 5.360 2.437 ( -2.198 0.000 1.183) 2.496 2.503 ( 1.272 0.000 -18.139) 18.183 2.616 ( -0.130 0.000 2.537) 2.541 2.723 ( -1.590 0.000 -5.202) 5.440 2.748 ( -0.371 0.000 5.476) 5.489 2.826 ( -2.716 0.000 3.473) 4.409 2.861 ( -0.699 0.000 -4.701) 4.753 2.973 ( -0.310 0.000 1.882) 1.907 2.979 ( 1.923 0.000 -2.368) 3.051 3.097 ( -0.378 0.000 -4.508) 4.524 3.168 ( -1.542 0.000 0.898) 1.784 3.169 ( 3.319 0.000 -5.954) 6.817 3.325 ( 4.902 0.000 0.052) 4.903 3.424 ( -4.705 0.000 -2.042) 5.129 3.441 ( -7.184 0.000 -1.558) 7.351 3.496 ( 0.765 0.000 0.932) 1.206 3.612 ( 2.718 0.000 0.229) 2.727 3.699 ( 0.805 0.000 2.370) 2.503 3.702 ( 0.509 0.000 4.906) 4.933 3.850 ( 4.434 0.000 -0.206) 4.439 3.927 ( 0.016 0.000 -0.770) 0.770 3.936 ( -0.600 0.000 -1.960) 2.049 4.023 ( 3.688 0.000 -2.437) 4.421 4.107 ( 5.949 0.000 6.810) 9.042 4.191 ( -0.528 0.000 2.610) 2.663 4.519 ( -0.810 0.000 -3.895) 3.979 4.656 ( 7.327 0.000 -0.599) 7.351 4.819 ( -1.812 0.000 5.570) 5.858 5.050 ( -7.574 0.000 3.206) 8.225 5.188 ( 4.224 0.000 -7.398) 8.519 5.241 ( -3.449 0.000 -10.238) 10.803 5.928 ( 7.829 0.000 13.208) 15.354 6.301 ( 9.243 0.000 -4.677) 10.359 6.809 ( -4.627 0.000 2.619) 5.317 6.940 ( 2.602 0.000 -2.905) 3.900 7.057 ( -0.880 0.000 -4.480) 4.566 7.275 ( -1.079 0.000 2.241) 2.487 7.395 ( 1.651 0.000 0.448) 1.711 7.431 ( 0.094 0.000 2.261) 2.263 7.857 ( 8.895 0.000 3.755) 9.655 8.035 ( 0.191 0.000 0.506) 0.541 17.477 ( -1.372 0.000 -0.216) 1.389 17.535 ( -1.936 0.000 0.836) 2.109 17.605 ( -1.962 0.000 3.141) 3.703 17.810 ( 1.180 0.000 -3.754) 3.935 18.451 ( -0.450 0.000 -0.462) 0.644 18.658 ( -3.743 0.000 0.532) 3.781 18.662 ( -7.624 0.000 -4.611) 8.910 18.963 ( -1.578 0.000 0.803) 1.771 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 4.184 6.330 12.647) 14.749 0.675 ( 3.500 1.922 16.111) 16.598 1.096 ( -6.009 0.044 -9.726) 11.433 1.227 ( -1.197 -4.127 -0.170) 4.300 1.282 ( -1.082 -0.767 -4.250) 4.452 1.338 ( 0.208 -4.240 0.626) 4.291 1.401 ( 0.002 5.524 13.406) 14.499 1.482 ( 2.927 -4.726 0.058) 5.559 1.570 ( -4.167 -7.573 -2.307) 8.946 1.672 ( 2.795 -2.545 0.264) 3.789 1.733 ( 0.049 -1.993 0.861) 2.172 1.907 ( -0.364 0.879 4.290) 4.395 1.924 ( -0.386 3.613 -0.295) 3.645 1.948 ( -2.895 0.719 0.878) 3.110 2.020 ( -1.023 -0.197 1.812) 2.090 2.064 ( -2.714 1.739 -1.034) 3.385 2.120 ( 2.926 0.177 -5.166) 5.939 2.232 ( -0.986 -0.710 1.788) 2.162 2.277 ( -1.965 -0.139 1.269) 2.343 2.316 ( 0.291 0.942 1.756) 2.014 2.327 ( 1.509 0.616 -2.940) 3.362 2.378 ( 0.060 0.993 -5.268) 5.361 2.462 ( 3.067 4.296 -3.130) 6.137 2.469 ( 0.472 3.965 1.807) 4.383 2.535 ( 3.320 5.130 -2.330) 6.539 2.619 ( 0.382 -4.730 4.751) 6.715 2.642 ( -0.451 -3.692 -0.956) 3.840 2.714 ( 0.157 -0.941 0.372) 1.024 2.775 ( 1.383 1.000 0.310) 1.734 2.810 ( -2.694 -2.064 2.752) 4.369 2.934 ( 0.404 -5.114 -0.443) 5.149 2.985 ( -1.544 -2.007 0.161) 2.538 3.030 ( -3.673 -1.999 -2.141) 4.698 3.153 ( -0.221 -1.911 -6.427) 6.709 3.180 ( 5.891 1.065 -1.096) 6.086 3.347 ( 0.257 0.382 -5.343) 5.363 3.424 ( 0.225 2.364 -0.900) 2.540 3.438 ( 1.348 4.377 -1.097) 4.709 3.521 ( 1.890 -0.379 1.101) 2.220 3.621 ( 0.005 -0.773 -3.015) 3.112 3.756 ( -0.292 0.612 5.329) 5.372 3.792 ( -1.055 3.782 4.765) 6.174 3.845 ( -1.068 -0.489 1.938) 2.266 3.909 ( 1.163 -0.872 -1.071) 1.806 3.940 ( 0.758 -0.767 0.053) 1.080 4.022 ( 0.324 -0.137 -3.335) 3.353 4.238 ( 1.584 2.728 2.112) 3.796 4.351 ( -0.947 4.096 -3.740) 5.627 4.432 ( 3.374 -0.172 5.582) 6.525 4.705 ( -5.156 -0.640 -3.695) 6.375 4.798 ( -4.748 3.094 4.000) 6.937 5.042 ( 0.774 2.432 1.348) 2.887 5.145 ( 1.961 0.985 -6.554) 6.912 5.288 ( -0.937 9.567 -5.317) 10.985 5.967 ( -2.296 -8.987 11.787) 14.999 6.305 ( 3.313 -9.280 -4.451) 10.812 6.747 ( -0.432 -1.359 3.511) 3.790 6.879 ( -4.107 -5.197 -2.649) 7.134 7.056 ( 2.321 -2.496 0.375) 3.429 7.084 ( -5.222 -3.011 -0.623) 6.060 7.448 ( 0.865 3.559 2.821) 4.623 7.489 ( 2.140 2.584 0.844) 3.460 7.982 ( 1.888 -0.752 1.066) 2.295 8.009 ( -3.037 -0.271 -0.394) 3.074 17.482 ( 0.742 0.366 0.455) 0.944 17.503 ( -1.376 0.674 -0.562) 1.632 17.614 ( 0.352 0.771 3.491) 3.592 17.768 ( 0.131 -2.035 -3.817) 4.327 18.531 ( 4.598 2.490 2.847) 5.954 18.627 ( -2.247 1.665 -0.179) 2.803 18.846 ( 10.191 6.428 -5.191) 13.120 18.907 ( -4.750 2.127 -4.361) 6.790 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 5.132 -1.365 15.630) 16.508 0.926 ( 9.500 3.646 10.711) 14.774 0.965 ( 1.549 2.843 -8.832) 9.407 1.159 ( -0.209 -4.395 -11.870) 12.659 1.277 ( 1.380 -3.168 0.538) 3.497 1.380 ( 2.121 -7.691 -2.939) 8.502 1.434 ( -1.633 -3.425 0.792) 3.876 1.557 ( 2.980 -0.310 6.419) 7.084 1.601 ( 4.772 -1.692 5.678) 7.608 1.702 ( 0.819 -3.444 -1.571) 3.873 1.781 ( 3.471 -0.327 5.776) 6.746 1.854 ( -6.045 1.411 1.727) 6.443 1.922 ( 0.476 1.685 5.072) 5.366 1.987 ( -0.211 1.874 -1.148) 2.207 1.999 ( -1.985 1.809 1.001) 2.866 2.025 ( 3.361 1.065 -0.022) 3.526 2.143 ( 1.067 -1.158 -2.665) 3.095 2.202 ( -4.188 0.254 -0.695) 4.253 2.223 ( 0.495 0.261 0.006) 0.560 2.313 ( 1.191 2.269 0.377) 2.590 2.334 ( 1.226 0.470 -8.431) 8.533 2.353 ( 0.110 1.845 -0.922) 2.065 2.471 ( 0.531 5.182 -2.639) 5.839 2.493 ( -0.008 4.011 -1.951) 4.460 2.577 ( 0.973 4.387 2.644) 5.214 2.599 ( -0.918 -1.879 -3.784) 4.324 2.677 ( -0.084 -2.002 6.134) 6.453 2.700 ( 0.344 -2.203 2.045) 3.026 2.813 ( -2.206 -0.055 -2.137) 3.072 2.835 ( 0.679 -3.035 2.479) 3.977 2.875 ( 3.370 -0.121 -2.905) 4.451 2.951 ( -2.312 -1.912 -2.106) 3.666 3.024 ( 0.296 -1.575 2.397) 2.884 3.155 ( 5.355 -6.741 -3.060) 9.137 3.256 ( 1.121 1.586 1.973) 2.768 3.287 ( 0.610 1.613 -8.354) 8.530 3.462 ( 3.749 3.511 -0.873) 5.210 3.468 ( -0.757 0.496 -2.860) 3.000 3.549 ( 1.073 -0.287 0.167) 1.123 3.583 ( 0.200 -1.270 -2.495) 2.807 3.774 ( -2.199 -1.204 4.324) 4.998 3.794 ( -2.358 0.174 2.931) 3.765 3.830 ( -0.887 3.587 1.557) 4.010 3.897 ( -2.619 -1.729 0.769) 3.231 3.943 ( -0.064 1.724 -2.009) 2.648 3.997 ( 0.215 1.429 -3.122) 3.440 4.228 ( -3.635 -1.660 0.889) 4.093 4.284 ( -3.772 0.780 -2.066) 4.371 4.537 ( -2.419 3.432 0.992) 4.314 4.602 ( 0.797 1.528 2.986) 3.447 4.718 ( -4.671 4.478 4.028) 7.623 5.083 ( 1.708 -2.054 -4.953) 5.627 5.134 ( -1.033 5.162 2.530) 5.841 5.226 ( 0.634 5.710 -3.913) 6.951 5.932 ( -8.902 -6.957 10.032) 15.109 6.236 ( -7.103 -11.144 -6.248) 14.618 6.752 ( -2.090 -2.084 2.163) 3.659 6.823 ( -0.000 -3.110 2.926) 4.270 6.981 ( -1.698 2.486 -0.009) 3.011 7.182 ( 5.754 -5.094 1.503) 7.830 7.448 ( -1.383 3.598 0.025) 3.855 7.548 ( 3.269 0.728 -0.660) 3.414 7.910 ( -6.906 1.657 -0.468) 7.117 7.999 ( -0.632 -0.738 2.156) 2.365 17.478 ( -0.041 0.274 -0.049) 0.282 17.528 ( 2.299 -0.786 0.854) 2.576 17.665 ( 2.222 2.069 2.146) 3.718 17.760 ( 2.220 -0.222 -2.997) 3.736 18.544 ( -3.575 3.898 -2.955) 6.059 18.655 ( 5.495 1.698 2.387) 6.227 18.765 ( -4.816 2.569 -4.546) 7.104 19.037 ( 10.270 -2.816 -5.676) 12.067 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 4.619 -0.845 -7.642) 8.970 1.042 ( 1.639 -2.915 6.938) 7.702 1.066 ( 5.838 2.140 -3.837) 7.306 1.172 ( 4.829 -4.142 6.557) 9.136 1.309 ( 1.602 0.847 4.399) 4.758 1.371 ( 1.305 -4.861 -0.549) 5.063 1.484 ( 3.545 -0.813 -1.161) 3.818 1.607 ( -2.117 -2.145 2.546) 3.946 1.689 ( 0.989 -0.998 -0.817) 1.626 1.716 ( 1.798 -3.678 4.596) 6.155 1.769 ( -0.147 -1.364 -2.129) 2.533 1.859 ( -3.486 1.688 -0.034) 3.874 1.966 ( 0.335 3.112 -2.561) 4.044 1.997 ( 0.604 -0.831 1.664) 1.956 2.000 ( -0.947 -2.641 7.557) 8.061 2.066 ( 1.583 -0.796 -0.263) 1.792 2.161 ( 1.126 -2.024 5.275) 5.761 2.180 ( 4.488 1.065 0.388) 4.629 2.274 ( -0.499 2.244 -2.739) 3.576 2.281 ( 2.980 4.171 -1.932) 5.478 2.346 ( 2.526 -0.068 -1.401) 2.890 2.372 ( 4.052 4.946 -0.644) 6.426 2.448 ( 1.426 5.739 -0.590) 5.943 2.488 ( 1.647 0.746 -5.028) 5.343 2.558 ( 1.185 -0.965 -5.221) 5.440 2.613 ( -0.488 2.661 5.390) 6.031 2.665 ( -3.485 -2.194 4.050) 5.776 2.738 ( -0.169 0.348 4.169) 4.186 2.819 ( -0.520 1.793 -2.675) 3.262 2.847 ( 3.761 -4.963 -0.342) 6.236 2.924 ( -0.199 -0.235 0.117) 0.329 2.940 ( 5.369 2.415 -3.399) 6.798 3.000 ( -2.147 -1.472 -0.843) 2.737 3.187 ( 0.224 -3.233 -4.615) 5.639 3.256 ( 3.101 1.285 -6.860) 7.637 3.299 ( -7.419 1.069 -3.410) 8.235 3.372 ( 2.316 -2.648 3.845) 5.212 3.540 ( 3.235 1.320 -0.543) 3.536 3.550 ( -0.512 0.880 -0.052) 1.019 3.606 ( 2.566 -0.945 -2.449) 3.671 3.728 ( -4.230 -1.982 0.252) 4.678 3.761 ( -3.281 0.624 1.755) 3.773 3.821 ( -2.759 2.083 2.510) 4.272 3.834 ( -4.035 -1.339 2.189) 4.781 3.919 ( -0.002 3.803 -2.799) 4.722 3.989 ( 0.969 1.244 -2.206) 2.712 4.098 ( -8.750 0.734 -2.068) 9.021 4.214 ( -4.688 -3.581 4.090) 7.178 4.445 ( -4.037 5.333 -1.502) 6.855 4.606 ( -2.646 8.883 1.076) 9.331 4.786 ( 4.109 -3.298 7.791) 9.405 4.995 ( -3.508 -0.897 -5.018) 6.188 5.164 ( 0.247 3.525 4.172) 5.467 5.284 ( 6.227 -0.119 -2.095) 6.571 5.823 ( -9.354 -5.945 6.960) 13.088 5.993 ( -11.666 -7.594 -6.381) 15.312 6.749 ( -0.359 -2.330 2.468) 3.413 6.863 ( 0.295 -2.367 4.804) 5.364 6.998 ( 3.004 3.838 0.245) 4.880 7.260 ( 1.342 -5.704 0.128) 5.861 7.409 ( -2.241 2.071 -1.273) 3.306 7.572 ( 0.120 0.736 -4.432) 4.495 7.780 ( -5.243 2.733 1.657) 6.141 7.997 ( -1.293 -0.924 1.717) 2.340 17.494 ( 1.333 -0.351 0.900) 1.647 17.571 ( 1.316 -2.896 1.271) 3.425 17.715 ( 2.440 4.090 -0.827) 4.834 17.804 ( 3.605 3.496 -1.447) 5.227 18.483 ( -0.769 2.351 -1.381) 2.833 18.649 ( -2.182 -0.654 -1.296) 2.621 18.797 ( 5.743 2.211 0.851) 6.213 19.106 ( 2.105 -4.122 -6.154) 7.700 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.699 -3.281 -7.756) 8.592 1.051 ( -2.429 -5.842 -0.562) 6.351 1.241 ( 5.417 0.194 4.974) 7.357 1.278 ( 5.807 -0.191 2.244) 6.228 1.379 ( -0.991 -0.324 3.524) 3.675 1.437 ( 4.146 1.880 5.679) 7.278 1.516 ( -0.487 1.837 0.600) 1.993 1.542 ( -1.741 -1.463 1.283) 2.611 1.679 ( -2.296 3.528 -1.460) 4.455 1.749 ( -2.651 -1.614 0.864) 3.222 1.812 ( 2.495 0.761 0.041) 2.609 1.821 ( 2.286 -3.840 2.425) 5.085 1.912 ( -3.387 -2.540 -1.554) 4.510 1.946 ( 0.264 -3.002 2.702) 4.048 2.079 ( 2.355 -3.558 3.066) 5.254 2.102 ( 0.351 -2.605 1.007) 2.815 2.191 ( -1.356 -3.460 1.100) 3.875 2.193 ( -0.909 -0.280 -0.706) 1.185 2.281 ( 3.570 2.955 -0.660) 4.681 2.363 ( -0.648 0.749 1.288) 1.625 2.413 ( 1.866 5.756 -1.006) 6.134 2.425 ( 1.281 2.658 -0.801) 3.057 2.460 ( 2.633 3.418 -3.079) 5.300 2.541 ( 5.903 0.816 -3.591) 6.958 2.582 ( 3.948 0.136 -4.951) 6.334 2.666 ( 0.643 -0.903 2.660) 2.882 2.718 ( 9.697 2.399 6.407) 11.868 2.741 ( -1.985 1.927 5.264) 5.947 2.755 ( -2.423 -0.294 -2.827) 3.735 2.881 ( -5.171 2.221 -4.888) 7.454 2.919 ( 0.986 -0.207 1.830) 2.089 2.982 ( 0.893 -1.808 2.654) 3.333 3.010 ( 3.279 1.800 -3.694) 5.257 3.069 ( -3.570 3.571 -4.009) 6.447 3.206 ( 1.658 -2.702 -2.481) 4.026 3.268 ( 2.340 2.575 -3.841) 5.183 3.439 ( 1.053 -4.304 1.087) 4.562 3.507 ( -3.147 -0.684 -2.672) 4.185 3.546 ( -1.387 -1.815 -1.755) 2.880 3.635 ( -1.524 2.256 -1.798) 3.263 3.667 ( -0.518 -1.511 0.144) 1.604 3.691 ( -2.721 0.463 -0.962) 2.923 3.752 ( -4.249 2.176 2.045) 5.194 3.821 ( -1.573 -0.760 4.585) 4.906 3.898 ( -2.396 1.340 0.419) 2.777 3.953 ( -2.931 3.758 -1.744) 5.075 3.993 ( 0.755 -0.861 -2.357) 2.621 4.138 ( -5.819 -0.830 2.108) 6.245 4.390 ( -1.402 5.305 0.477) 5.508 4.554 ( -2.724 5.952 -2.436) 6.984 4.899 ( 1.118 -4.855 7.278) 8.820 4.965 ( 4.001 -2.738 0.552) 4.880 5.198 ( -0.160 0.995 4.007) 4.131 5.378 ( 4.335 -3.093 -1.701) 5.590 5.680 ( -6.840 -4.654 -2.335) 8.596 5.777 ( -8.420 -2.071 -0.816) 8.709 6.759 ( -0.637 -1.891 2.718) 3.372 6.897 ( -0.651 -2.831 4.806) 5.616 7.066 ( 2.757 2.983 -1.089) 4.205 7.231 ( -1.753 -3.717 -2.799) 4.972 7.354 ( -2.365 1.796 -0.460) 3.005 7.498 ( -2.315 6.074 -4.713) 8.029 7.775 ( 1.233 -1.998 3.190) 3.961 7.972 ( -2.213 -1.736 0.278) 2.827 17.531 ( 1.304 -0.868 1.751) 2.349 17.600 ( 0.438 -3.444 2.278) 4.152 17.741 ( 1.940 5.851 -2.970) 6.842 17.841 ( 1.346 5.746 -2.382) 6.364 18.506 ( 3.073 0.976 2.117) 3.857 18.647 ( 0.236 -2.091 4.421) 4.897 18.892 ( 4.491 -0.500 -2.559) 5.193 19.046 ( -2.577 -2.942 -6.234) 7.359 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -6.959 -6.323 -2.525) 9.736 0.964 ( 2.440 -5.072 -2.097) 6.007 1.226 ( -6.299 1.652 5.212) 8.341 1.361 ( -4.110 2.477 4.166) 6.355 1.433 ( 1.938 0.375 2.124) 2.899 1.493 ( 2.542 -3.005 -0.346) 3.951 1.555 ( 2.152 -0.535 3.909) 4.494 1.604 ( 4.284 0.467 0.803) 4.384 1.615 ( 2.641 3.252 -4.144) 5.892 1.710 ( -2.601 0.368 0.507) 2.675 1.836 ( 0.797 -1.931 1.956) 2.861 1.876 ( -0.125 -4.834 5.376) 7.231 1.930 ( 2.409 -2.776 4.555) 5.853 1.984 ( 1.498 -0.577 -1.981) 2.549 2.095 ( 0.512 0.713 3.902) 4.000 2.142 ( -3.105 -4.032 -2.225) 5.554 2.172 ( -0.256 1.566 1.149) 1.959 2.180 ( 2.680 -4.546 -0.813) 5.340 2.285 ( -4.835 0.379 -1.081) 4.969 2.308 ( -2.726 0.809 -2.964) 4.108 2.360 ( -5.366 1.114 3.315) 6.405 2.432 ( -2.663 5.930 -0.219) 6.504 2.486 ( -3.515 -0.530 0.616) 3.608 2.558 ( 2.116 2.463 -3.141) 4.518 2.591 ( -6.248 5.203 -0.062) 8.131 2.625 ( -0.328 2.954 -1.715) 3.431 2.688 ( 2.643 1.940 -3.958) 5.139 2.760 ( 1.273 2.000 2.903) 3.748 2.824 ( 5.636 1.575 -3.156) 6.649 2.911 ( 0.157 -1.264 0.436) 1.346 2.955 ( 2.975 0.431 -0.391) 3.031 3.032 ( 1.763 -2.635 1.676) 3.586 3.080 ( 7.465 2.048 1.281) 7.846 3.104 ( 6.221 -0.344 -3.101) 6.960 3.241 ( 3.337 -2.676 -1.386) 4.496 3.278 ( 0.426 2.112 -1.596) 2.681 3.387 ( -5.002 -5.201 -2.523) 7.644 3.454 ( 0.780 -1.052 -0.331) 1.351 3.494 ( -1.550 1.250 -4.016) 4.482 3.567 ( -2.447 1.538 -2.548) 3.853 3.630 ( -1.792 -0.392 -0.612) 1.934 3.654 ( -1.037 -1.806 -0.900) 2.269 3.744 ( -0.092 4.403 3.771) 5.798 3.847 ( -2.196 1.648 5.101) 5.793 3.869 ( 2.216 0.769 -0.420) 2.383 3.943 ( 1.081 -0.800 -0.653) 1.495 3.987 ( 1.038 1.430 -0.166) 1.775 4.052 ( -3.117 2.642 -1.193) 4.256 4.389 ( -0.492 3.366 1.991) 3.942 4.486 ( -0.854 6.033 -3.225) 6.894 4.967 ( 0.460 -7.342 6.125) 9.573 5.093 ( 6.558 -7.113 1.139) 9.741 5.215 ( -0.644 0.270 4.285) 4.341 5.373 ( -2.350 -4.365 -2.476) 5.541 5.611 ( -7.294 0.649 0.073) 7.324 5.653 ( 4.625 -1.646 -3.441) 5.995 6.779 ( 0.390 -0.789 3.903) 4.001 6.897 ( -2.265 -3.063 1.630) 4.143 7.037 ( -2.579 2.623 0.325) 3.693 7.233 ( 1.968 -3.135 -4.373) 5.730 7.334 ( 0.666 3.869 1.683) 4.272 7.435 ( -1.136 6.002 -3.977) 7.289 7.837 ( 2.262 -2.860 3.596) 5.122 7.922 ( -2.708 -2.584 -0.993) 3.873 17.562 ( 0.124 -0.792 2.542) 2.665 17.616 ( -0.368 -2.362 1.654) 2.907 17.747 ( 0.556 5.883 -1.926) 6.215 17.817 ( -0.889 5.120 -3.623) 6.335 18.623 ( 6.221 0.360 4.685) 7.796 18.692 ( -0.459 -1.660 6.263) 6.496 18.855 ( -5.377 -0.628 -5.519) 7.730 19.009 ( 4.690 -3.897 -7.153) 9.399 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -10.105 -4.667 0.157) 11.132 0.973 ( -4.336 -2.137 5.750) 7.512 1.158 ( -3.522 -2.379 1.302) 4.445 1.309 ( -1.367 -0.573 -0.252) 1.503 1.416 ( -3.018 -3.366 2.646) 5.238 1.518 ( -0.305 -0.565 -0.795) 1.022 1.591 ( -1.036 0.045 3.733) 3.875 1.618 ( -2.329 1.793 -0.579) 2.996 1.717 ( 6.518 1.095 -4.738) 8.132 1.734 ( 3.668 -0.811 1.247) 3.958 1.832 ( -1.973 -2.948 -0.317) 3.562 1.911 ( 1.294 -0.204 4.379) 4.570 1.941 ( -8.245 1.289 -1.517) 8.482 1.997 ( -1.836 -2.425 4.253) 5.229 2.058 ( 0.613 3.797 0.134) 3.849 2.096 ( -4.487 0.166 -2.676) 5.227 2.149 ( -3.457 0.336 2.604) 4.341 2.161 ( -1.706 -1.354 0.857) 2.340 2.193 ( -3.076 0.369 -1.994) 3.684 2.258 ( -1.916 -1.363 0.861) 2.504 2.309 ( -1.377 -3.055 3.152) 4.600 2.315 ( 0.549 2.467 0.710) 2.626 2.496 ( -4.015 6.618 0.592) 7.763 2.509 ( 0.856 2.238 2.631) 3.559 2.596 ( -1.072 0.883 4.519) 4.727 2.643 ( 1.256 0.891 -2.426) 2.874 2.692 ( -0.941 -1.616 1.083) 2.160 2.791 ( -1.164 1.803 -2.740) 3.480 2.842 ( -1.226 -1.273 -1.827) 2.543 2.897 ( 5.638 4.359 -4.195) 8.269 3.032 ( 2.562 -2.114 -1.952) 3.852 3.047 ( -1.955 -1.229 -3.362) 4.079 3.092 ( -0.485 0.839 -4.445) 4.550 3.181 ( -3.213 -9.506 -1.794) 10.193 3.212 ( 5.434 0.851 -4.988) 7.425 3.286 ( 1.060 -0.452 -2.082) 2.380 3.413 ( 0.131 0.874 -3.914) 4.013 3.463 ( 7.156 1.740 1.337) 7.485 3.504 ( 1.556 0.288 0.751) 1.752 3.541 ( 1.002 0.769 -0.126) 1.269 3.605 ( -0.243 0.213 1.134) 1.179 3.658 ( 0.948 -1.289 2.530) 2.994 3.779 ( 0.223 4.473 2.357) 5.061 3.849 ( 1.157 -0.794 2.591) 2.947 3.898 ( 1.372 2.821 -2.015) 3.728 3.926 ( -1.467 -0.064 0.769) 1.657 4.012 ( 0.725 2.685 -2.448) 3.705 4.123 ( 9.867 1.755 3.217) 10.526 4.367 ( -1.963 4.361 0.421) 4.801 4.523 ( 5.202 5.893 0.141) 7.862 4.955 ( -5.223 -3.578 2.041) 6.652 5.146 ( -0.198 -9.220 -3.532) 9.875 5.293 ( 4.986 -4.144 5.057) 8.222 5.340 ( 0.202 -3.308 -1.360) 3.582 5.462 ( -5.853 4.123 0.446) 7.173 5.812 ( 11.620 -4.314 -0.118) 12.396 6.815 ( -1.039 -0.811 3.006) 3.282 6.888 ( 2.378 -1.009 1.823) 3.162 7.025 ( -1.438 0.097 5.183) 5.380 7.190 ( -1.786 -2.993 -4.655) 5.815 7.371 ( 0.486 4.808 -2.285) 5.346 7.411 ( 1.869 5.493 -0.078) 5.803 7.852 ( -2.821 -2.848 -1.007) 4.133 7.919 ( 2.818 -2.011 2.883) 4.505 17.568 ( -1.413 0.109 1.876) 2.351 17.613 ( -1.017 0.028 1.404) 1.734 17.706 ( -3.360 4.146 -1.986) 5.695 17.795 ( 0.779 2.272 -1.578) 2.874 18.666 ( -5.674 -0.772 -4.110) 7.048 18.733 ( -3.251 -0.061 3.382) 4.691 18.780 ( 6.136 0.233 3.729) 7.184 19.040 ( 4.738 -3.502 -10.120) 11.710 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -9.748 -3.316 7.332) 12.640 0.853 ( -13.194 6.524 6.289) 16.006 1.136 ( 0.635 -10.404 0.416) 10.432 1.302 ( 0.578 -2.195 -1.110) 2.527 1.381 ( -3.449 -5.087 3.380) 7.014 1.470 ( -6.797 6.943 3.581) 10.355 1.490 ( -6.893 1.930 -1.584) 7.332 1.593 ( -0.690 -4.866 3.293) 5.916 1.719 ( -3.155 -1.021 -3.407) 4.754 1.733 ( -5.027 4.102 -6.103) 8.907 1.839 ( 2.355 1.863 0.567) 3.056 1.872 ( -2.543 -0.634 -0.816) 2.745 1.895 ( -2.250 1.311 -2.334) 3.498 1.954 ( 2.507 -0.219 -0.812) 2.644 2.000 ( 0.547 -0.883 4.575) 4.691 2.067 ( -3.492 2.162 3.833) 5.618 2.146 ( -0.610 -0.188 3.710) 3.764 2.182 ( -1.468 -0.367 3.219) 3.557 2.209 ( 2.565 -1.297 0.193) 2.880 2.239 ( 3.279 -1.481 0.712) 3.668 2.319 ( -0.201 -2.914 -0.102) 2.923 2.357 ( 1.139 1.435 -1.514) 2.376 2.428 ( -2.836 4.824 1.699) 5.848 2.512 ( -2.587 3.072 0.854) 4.106 2.596 ( -2.984 -3.160 3.648) 5.674 2.622 ( 1.529 2.241 -5.039) 5.723 2.655 ( -3.563 -3.822 3.698) 6.401 2.764 ( -1.300 -1.581 -0.039) 2.047 2.836 ( -0.935 0.789 -2.211) 2.527 2.892 ( 0.787 -0.453 -7.097) 7.155 2.960 ( -1.074 -2.398 -3.743) 4.573 2.998 ( -3.074 -0.210 1.249) 3.325 3.063 ( -0.438 -6.839 -4.233) 8.055 3.206 ( 1.510 3.133 -1.123) 3.655 3.231 ( 0.958 2.113 -3.495) 4.195 3.256 ( 4.953 2.863 -10.369) 11.843 3.441 ( 1.958 -1.557 1.680) 3.013 3.508 ( -0.299 -0.514 -1.202) 1.341 3.537 ( -1.244 0.030 0.529) 1.352 3.570 ( 2.714 0.128 -0.725) 2.812 3.664 ( 3.092 0.974 3.154) 4.523 3.710 ( 1.342 2.579 4.104) 5.030 3.792 ( -0.496 0.059 3.247) 3.285 3.888 ( 0.135 -2.116 0.690) 2.229 3.909 ( 1.705 0.588 -0.654) 1.919 3.951 ( 3.560 1.160 -0.526) 3.780 4.046 ( 4.218 5.250 0.124) 6.736 4.305 ( 3.617 6.371 0.614) 7.352 4.370 ( 4.612 -0.998 -0.257) 4.726 4.643 ( 6.846 6.496 0.971) 9.487 4.860 ( -4.774 -0.147 1.470) 4.997 5.094 ( -2.504 -4.012 -0.601) 4.767 5.257 ( -2.405 -2.149 -7.295) 7.976 5.358 ( -0.917 2.462 -3.158) 4.108 5.560 ( 9.286 -5.854 11.501) 15.899 6.040 ( 12.244 -6.911 -1.237) 14.114 6.797 ( -1.960 -2.263 1.074) 3.181 6.963 ( 1.951 1.877 1.510) 3.100 7.038 ( -1.480 -6.203 0.811) 6.429 7.156 ( 1.191 -3.175 3.151) 4.628 7.355 ( 0.241 5.035 -0.453) 5.061 7.456 ( 1.547 4.587 0.953) 4.934 7.806 ( -0.305 0.117 -0.261) 0.418 7.991 ( 2.509 -1.397 2.064) 3.537 17.533 ( -2.596 0.946 -0.436) 2.797 17.600 ( -2.698 3.482 1.907) 4.800 17.631 ( -2.375 -0.213 -0.093) 2.387 17.801 ( 0.575 -0.210 -1.081) 1.242 18.528 ( -4.508 0.892 -3.499) 5.776 18.689 ( -4.024 -2.419 0.600) 4.733 18.875 ( 2.350 0.876 -2.812) 3.768 19.028 ( 1.494 2.652 -7.135) 7.757 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -4.196 0.413 14.011) 14.631 0.650 ( -10.736 8.593 7.710) 15.765 1.162 ( -0.183 -5.942 4.040) 7.187 1.313 ( -2.455 -0.357 4.906) 5.497 1.320 ( -6.731 0.105 8.742) 11.034 1.359 ( -2.560 -2.302 -7.053) 7.848 1.416 ( -2.380 0.299 -1.203) 2.683 1.495 ( -6.387 -0.296 -7.613) 9.941 1.620 ( 2.011 -4.738 0.408) 5.163 1.668 ( -3.645 0.331 -0.105) 3.662 1.755 ( -3.182 -2.883 -2.211) 4.830 1.878 ( 0.001 2.277 2.199) 3.166 1.950 ( 1.843 4.126 2.036) 4.956 1.980 ( -2.773 1.339 -1.639) 3.488 2.016 ( 0.720 -1.358 2.529) 2.960 2.064 ( 0.992 -0.543 0.140) 1.139 2.153 ( -1.074 0.630 -0.524) 1.351 2.213 ( 1.590 0.962 3.495) 3.958 2.252 ( 0.384 -1.473 0.938) 1.788 2.269 ( 2.078 -2.473 -0.239) 3.239 2.335 ( 2.304 1.306 -2.114) 3.389 2.357 ( 0.930 0.750 2.160) 2.468 2.428 ( -1.197 1.612 4.563) 4.985 2.486 ( 0.447 3.764 0.176) 3.794 2.548 ( -0.732 2.778 -8.681) 9.144 2.577 ( -0.494 -2.016 -1.126) 2.361 2.658 ( -1.947 -5.545 5.650) 8.153 2.731 ( -1.967 0.748 -3.487) 4.073 2.773 ( -0.407 -1.173 1.043) 1.621 2.869 ( -2.718 -4.945 -1.376) 5.808 2.942 ( -2.635 -0.029 -0.757) 2.742 2.989 ( 5.268 -1.597 0.545) 5.532 3.024 ( -0.215 -5.947 -3.845) 7.085 3.172 ( -1.442 5.283 -1.851) 5.781 3.210 ( 1.356 1.315 -9.430) 9.617 3.328 ( 3.295 0.379 0.477) 3.351 3.456 ( -2.410 1.660 -1.707) 3.388 3.480 ( 0.942 -1.598 0.648) 1.965 3.486 ( -2.795 1.724 -2.604) 4.191 3.610 ( 2.433 -0.625 -1.123) 2.752 3.719 ( 0.289 1.591 4.620) 4.895 3.771 ( 0.394 5.877 4.075) 7.162 3.815 ( 1.352 -2.591 2.699) 3.978 3.896 ( 0.633 -1.011 -0.243) 1.217 3.926 ( 0.554 -1.257 0.206) 1.389 4.012 ( 3.193 -0.043 -2.256) 3.910 4.152 ( 5.023 4.701 2.604) 7.356 4.331 ( 0.813 9.385 2.379) 9.716 4.422 ( 1.082 -3.544 -4.419) 5.767 4.765 ( 4.172 4.962 -1.084) 6.573 4.808 ( -3.315 -3.046 3.825) 5.908 5.057 ( -3.411 3.334 4.249) 6.388 5.178 ( 2.281 -3.559 -13.141) 13.804 5.316 ( 0.043 9.287 -3.245) 9.837 5.822 ( 7.357 -9.294 12.583) 17.287 6.220 ( 8.712 -7.791 -3.691) 12.257 6.758 ( -2.717 -2.219 1.466) 3.803 6.962 ( -2.568 -1.337 -2.225) 3.651 7.005 ( 1.376 -2.510 -1.542) 3.251 7.199 ( -2.754 -7.940 2.202) 8.688 7.389 ( 2.135 3.215 2.840) 4.791 7.469 ( -0.618 2.614 1.443) 3.049 7.881 ( 6.600 1.994 2.096) 7.206 8.031 ( 0.498 -0.845 0.560) 1.129 17.487 ( -1.577 0.900 -0.230) 1.830 17.545 ( -2.547 0.889 -0.445) 2.734 17.612 ( -2.197 0.632 3.276) 3.995 17.793 ( 0.100 -1.754 -2.761) 3.272 18.471 ( 0.061 1.858 0.089) 1.862 18.621 ( -1.539 -1.752 0.662) 2.424 18.831 ( -0.680 10.035 -7.776) 12.713 18.998 ( -1.924 2.842 -2.089) 4.018 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.121 9.646 8.469) 12.885 0.857 ( 3.504 10.318 7.538) 13.250 1.005 ( 1.682 -9.594 0.169) 9.741 1.067 ( -1.615 -9.876 2.388) 10.288 1.239 ( -0.483 -0.100 -7.017) 7.034 1.278 ( -1.539 -1.497 -5.598) 5.995 1.368 ( 0.264 -1.969 -5.455) 5.806 1.428 ( -5.840 -5.195 -5.865) 9.772 1.548 ( 1.185 3.306 3.540) 4.986 1.619 ( 2.562 -3.703 -1.591) 4.776 1.835 ( -2.334 10.572 10.983) 15.422 1.916 ( -1.715 -0.096 4.173) 4.513 1.962 ( -0.415 1.549 4.031) 4.338 1.979 ( -2.401 2.223 -1.885) 3.776 2.008 ( 0.004 -0.803 0.806) 1.138 2.060 ( 0.635 -3.519 -1.597) 3.917 2.104 ( -0.499 1.296 -2.412) 2.784 2.219 ( -0.533 -4.621 5.107) 6.908 2.270 ( 1.424 1.315 0.105) 1.941 2.322 ( 0.704 -1.662 0.413) 1.852 2.339 ( -2.651 1.754 0.736) 3.263 2.410 ( -1.637 -6.361 7.271) 9.799 2.469 ( 3.133 4.163 4.442) 6.847 2.533 ( 4.067 -0.475 4.391) 6.004 2.558 ( -0.666 1.748 -0.312) 1.897 2.584 ( -0.270 -1.341 1.612) 2.115 2.659 ( 2.802 6.271 -5.784) 8.979 2.724 ( -0.899 1.106 -3.463) 3.745 2.780 ( 0.773 -1.011 0.383) 1.329 2.789 ( 2.468 -1.231 -0.954) 2.918 2.912 ( -1.084 3.373 -6.258) 7.191 2.943 ( 0.672 -1.324 0.008) 1.485 2.969 ( -0.641 -2.459 2.168) 3.340 3.048 ( -0.723 -6.094 -10.540) 12.197 3.237 ( 1.711 2.780 -3.238) 4.598 3.307 ( -0.291 -3.638 -4.675) 5.931 3.463 ( 1.185 1.343 -0.127) 1.796 3.480 ( 2.613 -0.162 0.493) 2.664 3.543 ( -0.048 2.454 -1.280) 2.768 3.592 ( -0.484 -2.014 -2.359) 3.140 3.782 ( -1.165 1.612 3.498) 4.024 3.803 ( -1.517 -0.397 3.751) 4.065 3.882 ( -0.495 0.112 3.426) 3.463 3.886 ( -0.184 -0.861 2.633) 2.777 3.963 ( 0.878 3.704 -0.254) 3.815 4.017 ( 0.940 -1.122 -1.868) 2.373 4.317 ( 0.177 3.661 -2.241) 4.297 4.361 ( -0.315 -0.776 -4.328) 4.408 4.523 ( 0.034 5.338 3.482) 6.373 4.631 ( -2.657 -5.003 1.221) 5.795 4.874 ( -1.066 4.462 -1.547) 4.841 4.986 ( 1.313 -5.596 -7.297) 9.289 5.317 ( 0.021 12.893 6.814) 14.583 5.510 ( -1.490 3.595 -0.681) 3.950 5.781 ( -0.311 -1.147 5.559) 5.685 6.031 ( 0.563 -15.992 -4.669) 16.669 6.737 ( -0.601 0.615 1.816) 2.010 6.778 ( -3.445 -3.539 0.178) 4.942 7.019 ( 0.230 -0.579 0.524) 0.814 7.033 ( -0.345 -1.767 -0.030) 1.801 7.517 ( 1.206 2.320 1.758) 3.151 7.531 ( 1.192 0.931 1.098) 1.869 7.980 ( 0.467 0.539 1.060) 1.278 7.997 ( -1.511 -0.845 0.227) 1.746 17.494 ( -0.096 0.724 0.492) 0.881 17.507 ( -0.956 -0.353 0.006) 1.019 17.649 ( 0.859 2.606 1.075) 2.947 17.712 ( 0.345 -3.111 -1.770) 3.596 18.588 ( 3.934 2.589 3.758) 6.026 18.628 ( 2.157 -1.140 3.077) 3.927 18.949 ( -0.826 2.329 -8.817) 9.157 18.952 ( -1.331 1.699 -7.377) 7.686 ======================= Grid point 102 (57/78) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 4.069 5.307 10.132) 12.140 1.000 ( 3.030 1.690 3.925) 5.239 1.005 ( 0.888 -0.124 -2.222) 2.396 1.057 ( 0.810 -5.628 -3.588) 6.724 1.217 ( 2.486 -1.090 -2.981) 4.032 1.250 ( 3.426 -1.958 -3.430) 5.229 1.365 ( 3.766 -1.590 -2.207) 4.646 1.442 ( 7.114 -7.811 1.539) 10.676 1.587 ( 1.000 1.335 -0.531) 1.751 1.638 ( 1.014 -3.153 -2.582) 4.199 1.846 ( -2.563 3.112 4.412) 5.976 1.892 ( -3.820 -0.722 6.190) 7.310 1.943 ( -1.032 1.557 1.303) 2.277 1.990 ( -0.836 -2.517 -0.652) 2.731 2.048 ( 2.787 2.877 1.919) 4.442 2.059 ( -2.041 1.451 0.734) 2.610 2.117 ( 3.681 3.662 2.368) 5.707 2.200 ( -6.099 -1.043 3.351) 7.037 2.289 ( 1.210 5.020 3.603) 6.296 2.309 ( -0.311 1.370 -1.056) 1.757 2.337 ( 2.198 -1.531 -0.778) 2.789 2.471 ( 3.001 0.088 0.514) 3.046 2.511 ( 0.442 -5.784 6.967) 9.066 2.550 ( -0.709 -1.435 0.861) 1.817 2.563 ( -1.011 3.496 -2.712) 4.538 2.613 ( 3.227 3.138 -3.501) 5.702 2.678 ( 0.043 2.747 -5.224) 5.902 2.712 ( -5.295 -0.852 0.056) 5.363 2.723 ( 1.643 2.342 1.441) 3.203 2.819 ( 2.240 -4.551 -1.139) 5.199 2.889 ( 0.918 2.118 -1.972) 3.036 2.942 ( 1.326 -2.521 -5.048) 5.796 2.984 ( 2.298 0.228 -2.306) 3.263 3.025 ( 4.116 -3.796 -2.586) 6.168 3.277 ( 2.625 0.397 -1.268) 2.942 3.291 ( 1.141 -1.042 -3.970) 4.260 3.479 ( -0.866 1.108 -2.016) 2.459 3.512 ( 1.121 -0.064 -1.432) 1.820 3.528 ( 1.150 -0.376 -0.817) 1.460 3.554 ( -0.203 -1.327 -0.329) 1.382 3.762 ( -3.522 0.723 3.021) 4.696 3.785 ( -3.012 -1.056 2.943) 4.341 3.877 ( -2.379 0.347 1.547) 2.858 3.891 ( -1.132 0.057 1.644) 1.997 3.981 ( 0.870 3.200 0.105) 3.318 4.023 ( 1.200 -0.207 -1.808) 2.180 4.249 ( -5.537 2.516 -1.194) 6.198 4.289 ( -4.729 -0.812 -2.518) 5.418 4.578 ( 0.257 1.461 4.180) 4.436 4.608 ( 1.034 -1.008 2.532) 2.915 4.831 ( -2.059 6.142 -1.582) 6.669 4.970 ( 1.057 -6.830 -5.373) 8.754 5.329 ( -3.846 11.215 6.487) 13.515 5.420 ( -5.732 7.996 -1.691) 9.983 5.767 ( -5.341 -4.786 5.979) 9.338 5.940 ( -5.829 -15.703 -4.709) 17.399 6.734 ( -0.917 0.584 1.508) 1.859 6.768 ( 0.709 -2.319 2.590) 3.548 7.022 ( 1.314 2.065 0.165) 2.453 7.083 ( 3.724 -3.996 0.501) 5.486 7.516 ( -1.533 2.695 -0.353) 3.120 7.552 ( 0.292 -0.657 -0.272) 0.768 7.948 ( -3.751 1.820 0.354) 4.185 7.980 ( -1.286 -1.207 1.557) 2.353 17.489 ( -0.400 0.784 0.302) 0.931 17.508 ( 0.278 -1.005 0.672) 1.240 17.710 ( 4.580 2.019 0.204) 5.009 17.744 ( 4.548 -1.254 -1.296) 4.893 18.627 ( -2.836 3.402 -2.220) 4.955 18.670 ( 0.870 -0.621 0.315) 1.114 18.847 ( -1.146 5.076 -3.243) 6.131 18.955 ( 4.213 -4.876 -3.826) 7.494 ======================= Grid point 103 (58/78) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.202 -0.634 -7.647) 7.676 0.989 ( -1.456 -3.272 -1.285) 3.805 1.091 ( 6.428 0.266 5.405) 8.403 1.126 ( 7.415 -0.006 0.392) 7.426 1.285 ( 5.175 0.094 0.344) 5.188 1.341 ( 6.297 -1.335 0.788) 6.485 1.492 ( 6.616 2.548 2.296) 7.452 1.565 ( 1.191 -2.507 -0.797) 2.888 1.622 ( 4.826 -2.831 3.141) 6.416 1.639 ( 2.754 -2.726 1.343) 4.101 1.804 ( -4.411 3.215 1.782) 5.742 1.865 ( -3.262 -1.780 3.010) 4.782 1.934 ( -3.635 -1.510 0.826) 4.022 1.949 ( -2.499 -2.334 -0.965) 3.553 2.014 ( -3.283 1.035 1.127) 3.622 2.049 ( -2.428 -2.436 1.824) 3.893 2.129 ( -0.785 3.007 1.590) 3.491 2.202 ( 1.768 -2.781 0.561) 3.343 2.302 ( 1.949 3.746 0.053) 4.223 2.354 ( 0.444 0.076 0.023) 0.451 2.453 ( 7.698 8.983 6.256) 13.383 2.467 ( 0.883 2.653 -3.887) 4.788 2.525 ( -0.818 -2.116 -1.517) 2.729 2.532 ( 0.000 3.139 -1.706) 3.573 2.582 ( 0.708 3.921 1.515) 4.263 2.608 ( -1.817 -2.505 2.016) 3.693 2.683 ( 2.597 2.862 -2.001) 4.352 2.707 ( 7.125 -5.791 1.248) 9.266 2.775 ( 1.147 2.439 1.734) 3.205 2.809 ( -0.176 -1.305 -2.547) 2.867 2.910 ( 1.722 -1.451 -1.753) 2.854 2.920 ( 1.133 -4.651 -6.842) 8.350 3.023 ( 4.134 3.581 -3.475) 6.480 3.094 ( 3.399 -4.283 -2.651) 6.077 3.270 ( 0.458 1.021 -1.525) 1.891 3.302 ( 0.470 -1.295 -0.743) 1.565 3.391 ( -4.576 4.034 -2.991) 6.794 3.494 ( -1.283 -4.940 -2.361) 5.623 3.577 ( 1.774 1.549 -0.498) 2.407 3.601 ( 4.511 -0.414 -1.535) 4.783 3.707 ( -4.024 0.356 2.274) 4.636 3.737 ( -3.746 -2.093 1.891) 4.689 3.828 ( -3.565 1.407 1.757) 4.216 3.858 ( -3.363 -0.380 0.858) 3.492 3.989 ( 0.108 3.024 -1.287) 3.289 4.018 ( -0.254 0.640 -3.092) 3.168 4.126 ( -6.943 2.086 1.315) 7.368 4.170 ( -6.598 -1.682 2.960) 7.424 4.572 ( -1.863 6.152 1.792) 6.673 4.692 ( 1.370 -5.316 4.551) 7.131 4.776 ( -1.799 7.517 -1.074) 7.804 4.923 ( -2.499 -6.086 -2.875) 7.179 5.272 ( -4.188 6.851 0.990) 8.090 5.341 ( -2.750 2.774 2.019) 4.397 5.694 ( -5.232 -3.389 2.108) 6.580 5.792 ( -5.976 -10.258 -2.132) 12.061 6.742 ( -0.083 1.672 2.190) 2.757 6.801 ( 0.263 -3.393 3.248) 4.705 7.068 ( 3.142 3.241 0.108) 4.515 7.149 ( 2.497 -4.712 -0.178) 5.336 7.469 ( -2.444 3.529 -1.091) 4.430 7.541 ( -0.317 -3.013 -1.529) 3.393 7.870 ( -4.515 4.892 0.257) 6.662 7.956 ( -2.351 -3.140 0.971) 4.041 17.498 ( 0.579 0.668 1.509) 1.749 17.522 ( 0.404 -1.705 1.709) 2.448 17.802 ( 5.422 3.486 -1.926) 6.727 17.841 ( 6.145 -0.097 -1.658) 6.365 18.548 ( -2.312 3.618 -2.290) 4.866 18.617 ( -2.782 -2.582 -2.506) 4.548 18.873 ( 2.335 5.104 0.932) 5.690 18.995 ( 1.351 -6.118 -1.871) 6.538 ======================= Grid point 104 (59/78) ======================= q-point: ( 0.38 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.504 -1.335 -8.178) 8.302 0.928 ( -1.787 -4.690 -5.426) 7.391 1.239 ( 3.273 0.854 5.754) 6.674 1.280 ( 5.975 -2.304 2.820) 6.997 1.384 ( 4.843 3.403 0.980) 6.000 1.450 ( 3.119 -1.459 2.647) 4.343 1.550 ( 4.405 2.487 -4.047) 6.478 1.600 ( 0.413 1.389 1.174) 1.865 1.691 ( -2.146 0.746 1.868) 2.941 1.741 ( 1.763 1.463 3.326) 4.039 1.775 ( -1.837 0.338 3.773) 4.211 1.803 ( -5.929 -5.819 1.887) 8.519 1.842 ( -0.127 0.497 -0.413) 0.659 1.882 ( -0.788 -3.502 2.757) 4.526 1.999 ( 0.412 -2.091 0.698) 2.243 2.033 ( -1.533 -4.584 2.711) 5.542 2.156 ( 1.517 2.991 1.140) 3.542 2.211 ( -0.156 -1.276 1.425) 1.919 2.339 ( 0.105 2.213 1.351) 2.595 2.365 ( 0.221 0.058 0.663) 0.701 2.466 ( -1.070 2.165 0.348) 2.440 2.497 ( -1.746 0.436 -2.310) 2.929 2.523 ( 0.863 1.559 -1.422) 2.280 2.552 ( 3.491 -1.226 -1.896) 4.158 2.637 ( 2.354 3.481 1.178) 4.365 2.670 ( 4.122 1.408 3.964) 5.889 2.744 ( 1.205 3.059 -3.413) 4.739 2.779 ( -0.237 1.419 2.859) 3.200 2.788 ( 5.234 1.609 -1.764) 5.753 2.885 ( 5.928 -2.170 0.927) 6.381 2.896 ( 1.544 -3.402 -2.769) 4.650 2.925 ( 2.112 -0.384 -4.093) 4.622 3.069 ( 3.122 2.374 -4.174) 5.728 3.105 ( 2.067 -1.448 -3.733) 4.506 3.233 ( -4.805 6.371 -4.285) 9.058 3.298 ( 2.712 0.527 -1.906) 3.356 3.352 ( 1.138 -3.119 2.266) 4.020 3.407 ( -5.569 -6.903 -3.965) 9.715 3.573 ( -0.687 2.466 -0.723) 2.660 3.619 ( -1.595 -1.965 0.524) 2.585 3.673 ( -1.518 0.689 -3.317) 3.712 3.686 ( -1.329 -0.659 -3.204) 3.531 3.791 ( -2.535 1.123 4.173) 5.010 3.808 ( -2.342 -0.651 4.161) 4.819 3.948 ( -2.909 2.738 -0.520) 4.029 3.981 ( -1.817 -0.466 -1.859) 2.641 4.044 ( -2.168 4.523 2.117) 5.444 4.116 ( -2.690 -1.974 3.421) 4.778 4.537 ( -3.163 8.104 2.232) 8.981 4.655 ( -3.594 0.767 -1.697) 4.048 4.795 ( -0.391 -2.114 3.923) 4.474 4.874 ( 0.125 -5.780 -0.794) 5.836 5.234 ( -1.168 2.766 1.699) 3.450 5.308 ( -1.934 -3.708 0.684) 4.238 5.626 ( -1.401 0.606 -2.178) 2.659 5.696 ( -3.976 -4.857 -0.545) 6.300 6.757 ( -0.203 1.912 2.864) 3.450 6.824 ( -0.489 -3.908 3.496) 5.266 7.115 ( 1.262 2.051 -1.465) 2.819 7.165 ( 0.604 -2.830 -1.724) 3.368 7.431 ( -0.900 5.109 0.512) 5.213 7.530 ( 0.255 -3.212 -1.169) 3.428 7.801 ( -2.569 4.726 0.243) 5.385 7.907 ( -2.959 -4.502 -0.457) 5.407 17.528 ( 0.790 0.481 2.682) 2.837 17.549 ( 0.500 -1.611 3.067) 3.500 17.863 ( 3.314 5.024 -4.138) 7.304 17.914 ( 3.152 0.632 -3.899) 5.054 18.538 ( 1.789 2.187 1.918) 3.415 18.593 ( 0.625 -2.854 2.529) 3.864 18.901 ( 0.631 1.845 -1.717) 2.598 18.968 ( -2.014 -4.083 -3.046) 5.477 ======================= Grid point 105 (60/78) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -3.011 -2.781 -5.330) 6.724 0.855 ( 0.402 -4.156 -5.910) 7.236 1.270 ( -3.229 2.811 4.452) 6.176 1.340 ( -1.088 -3.649 2.581) 4.600 1.453 ( -2.534 2.659 3.230) 4.891 1.516 ( 0.959 -1.566 4.859) 5.194 1.549 ( -5.201 4.049 -0.975) 6.663 1.621 ( 4.017 0.560 -1.853) 4.459 1.656 ( -0.827 -2.107 -2.533) 3.398 1.707 ( 3.445 3.407 -1.788) 5.165 1.742 ( 0.697 -4.966 1.106) 5.135 1.813 ( 1.962 -3.659 3.076) 5.167 1.891 ( 0.388 1.528 6.760) 6.941 1.965 ( 1.707 -4.588 -0.092) 4.896 2.012 ( -0.539 -0.035 0.515) 0.746 2.068 ( 5.074 -3.538 4.172) 7.461 2.200 ( 1.498 3.990 3.244) 5.356 2.242 ( 0.449 1.089 2.834) 3.069 2.316 ( -2.506 1.629 -3.815) 4.847 2.329 ( -4.026 0.536 -4.441) 6.018 2.379 ( -6.134 1.688 3.772) 7.396 2.439 ( -2.124 -2.982 0.685) 3.725 2.562 ( -2.197 5.354 -0.351) 5.798 2.597 ( -0.687 1.077 1.713) 2.136 2.619 ( -1.649 0.803 2.740) 3.297 2.675 ( -4.725 -2.740 2.697) 6.092 2.771 ( -0.405 5.244 -0.549) 5.288 2.818 ( 3.132 3.624 -2.703) 5.500 2.869 ( 2.831 -2.623 -0.964) 3.978 2.878 ( 2.282 4.190 -3.533) 5.937 2.940 ( 2.716 -4.332 -2.465) 5.676 2.951 ( 0.815 -1.897 -1.238) 2.407 3.100 ( 5.120 0.842 -2.926) 5.957 3.138 ( 3.189 -1.014 -3.198) 4.629 3.193 ( 3.087 0.142 -4.926) 5.816 3.230 ( -5.381 -3.396 -6.511) 9.104 3.372 ( 3.770 2.054 2.388) 4.913 3.419 ( 3.828 -2.182 2.629) 5.131 3.549 ( -1.404 3.338 -5.205) 6.341 3.591 ( -2.803 0.542 -3.234) 4.314 3.608 ( -0.487 -1.116 -1.938) 2.288 3.623 ( -0.559 -1.580 -0.679) 1.808 3.794 ( -0.006 1.363 3.715) 3.957 3.835 ( 0.809 -2.548 2.096) 3.397 3.914 ( -1.046 2.918 2.962) 4.287 3.941 ( -1.434 0.022 0.596) 1.553 4.056 ( 1.498 3.949 1.611) 4.520 4.096 ( -1.142 0.587 0.818) 1.523 4.504 ( -2.204 7.102 2.821) 7.953 4.597 ( -0.602 2.082 -1.651) 2.725 4.814 ( 0.906 -3.991 2.915) 5.025 4.906 ( 2.990 -9.314 -1.096) 9.843 5.232 ( -1.280 1.587 2.773) 3.442 5.287 ( -1.026 -3.648 0.642) 3.844 5.613 ( -1.415 -0.069 -1.285) 1.913 5.622 ( 0.370 -1.025 -2.396) 2.632 6.785 ( 0.509 1.555 3.903) 4.232 6.835 ( -0.892 -2.927 2.866) 4.192 7.088 ( -1.600 2.718 -1.635) 3.553 7.157 ( -0.045 -3.788 -3.118) 4.907 7.448 ( 1.233 5.959 2.087) 6.433 7.521 ( -0.465 0.508 -1.443) 1.599 7.792 ( 0.967 0.089 1.237) 1.572 7.849 ( -2.125 -4.070 -1.475) 4.823 17.562 ( 0.339 0.607 3.349) 3.420 17.581 ( 0.321 -1.215 3.126) 3.369 17.862 ( -0.200 4.229 -3.924) 5.773 17.894 ( -1.415 1.421 -4.840) 5.240 18.635 ( 5.152 0.812 4.311) 6.767 18.657 ( 2.038 -1.403 4.753) 5.359 18.854 ( -3.215 1.162 -4.058) 5.305 18.915 ( 0.897 -4.400 -5.078) 6.779 ======================= Grid point 106 (61/78) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -4.848 1.598 -2.909) 5.875 0.836 ( 0.727 -7.944 -2.274) 8.295 1.225 ( -6.608 6.181 6.000) 10.857 1.301 ( -4.052 -0.328 1.060) 4.201 1.354 ( -5.079 -1.426 0.694) 5.320 1.439 ( -7.518 -7.672 3.000) 11.153 1.541 ( -0.352 1.130 0.431) 1.260 1.606 ( -0.096 -4.582 -0.848) 4.660 1.754 ( 7.488 4.137 0.138) 8.556 1.801 ( 4.729 4.833 -1.453) 6.916 1.807 ( 3.964 -0.793 0.234) 4.050 1.901 ( 1.701 -0.276 1.024) 2.004 1.904 ( -0.826 -4.502 3.974) 6.062 1.941 ( 2.323 -3.268 -0.484) 4.039 2.083 ( -0.793 1.311 1.694) 2.284 2.108 ( -6.697 -0.946 -2.370) 7.167 2.129 ( -3.832 1.995 -2.444) 4.964 2.205 ( 0.475 -3.699 2.427) 4.450 2.251 ( -2.562 5.847 0.325) 6.392 2.307 ( -0.805 4.957 1.216) 5.167 2.320 ( -3.562 4.389 2.350) 6.122 2.370 ( -7.136 4.075 1.970) 8.450 2.474 ( -2.345 -5.300 4.120) 7.111 2.550 ( -6.064 -3.610 4.392) 8.312 2.592 ( -3.237 1.909 2.601) 4.570 2.644 ( -3.396 -3.590 -0.281) 4.950 2.707 ( -2.636 3.697 -1.230) 4.704 2.790 ( -1.785 -2.960 -2.786) 4.440 2.852 ( -0.840 1.992 -1.780) 2.801 2.901 ( -0.129 -4.757 -1.760) 5.074 2.980 ( 3.490 3.170 -2.517) 5.344 3.036 ( 1.437 -0.420 -2.943) 3.301 3.093 ( -0.667 1.140 -5.178) 5.344 3.125 ( 3.335 -0.638 -3.381) 4.791 3.209 ( 5.203 0.226 -3.268) 6.148 3.252 ( 5.232 -2.759 -3.639) 6.945 3.455 ( -1.483 2.549 -5.589) 6.319 3.489 ( 4.051 -0.065 -0.586) 4.093 3.508 ( 2.068 0.723 0.200) 2.200 3.536 ( 1.624 -1.175 -0.649) 2.107 3.610 ( 1.002 0.569 0.911) 1.469 3.630 ( 1.514 -1.268 0.768) 2.119 3.834 ( -1.612 0.546 2.173) 2.760 3.841 ( 0.443 0.142 2.466) 2.510 3.936 ( 0.974 1.182 -0.120) 1.536 3.942 ( 0.668 0.753 1.317) 1.658 4.098 ( 2.910 4.632 -0.046) 5.470 4.152 ( 6.611 -0.069 2.011) 6.910 4.496 ( -0.838 7.690 2.211) 8.045 4.617 ( 2.521 -0.164 1.620) 3.001 4.866 ( 2.609 -1.529 -0.521) 3.069 4.963 ( 4.907 -7.880 -2.172) 9.533 5.226 ( -1.425 -0.866 2.873) 3.322 5.262 ( -2.048 -3.515 0.869) 4.160 5.565 ( -0.430 5.839 -0.473) 5.873 5.696 ( 6.630 -6.419 -0.136) 9.230 6.816 ( -0.960 0.930 2.452) 2.793 6.849 ( 0.865 -2.100 3.266) 3.978 7.054 ( -1.578 2.519 0.448) 3.006 7.120 ( -1.226 -3.560 -2.396) 4.463 7.471 ( -0.450 4.260 -0.552) 4.320 7.505 ( 0.135 1.910 -0.224) 1.928 7.811 ( 0.380 -0.110 -0.568) 0.692 7.856 ( 3.270 -3.537 1.556) 5.062 17.585 ( -0.501 1.150 2.341) 2.656 17.605 ( 0.069 -0.717 2.407) 2.512 17.790 ( -4.491 3.308 -3.059) 6.361 17.825 ( -2.493 0.061 -2.150) 3.293 18.664 ( -3.668 0.802 -2.066) 4.285 18.699 ( -2.444 -2.277 0.174) 3.345 18.836 ( 5.297 4.470 0.460) 6.946 18.944 ( 5.819 -5.411 -3.929) 8.864 ======================= Grid point 107 (62/78) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -3.162 7.296 2.582) 8.361 0.857 ( 2.482 -11.423 0.259) 11.693 1.067 ( -12.072 9.560 3.370) 15.763 1.265 ( -7.335 -6.796 1.118) 10.062 1.283 ( 0.693 0.355 0.484) 0.917 1.358 ( -2.264 -7.704 1.959) 8.265 1.532 ( 0.200 0.566 -2.412) 2.486 1.567 ( -2.875 -1.969 -2.193) 4.117 1.801 ( -6.907 4.680 -2.041) 8.590 1.829 ( -5.209 4.322 1.506) 6.934 1.855 ( -3.531 -0.700 -1.584) 3.932 1.860 ( -0.723 -0.580 4.771) 4.860 1.897 ( -0.295 2.729 -3.708) 4.613 1.976 ( 4.737 0.675 -3.104) 5.704 2.024 ( 2.992 0.975 3.856) 4.977 2.040 ( 1.390 -3.247 2.017) 4.067 2.168 ( -4.023 5.274 0.539) 6.655 2.214 ( 3.823 0.472 0.274) 3.862 2.234 ( -1.145 1.463 1.175) 2.198 2.248 ( -1.002 3.155 4.077) 5.252 2.269 ( -1.908 0.311 1.578) 2.496 2.362 ( -0.056 -0.692 0.233) 0.732 2.414 ( -6.817 -7.282 7.517) 12.490 2.457 ( -7.310 -10.946 1.481) 13.246 2.568 ( -0.134 2.722 2.129) 3.459 2.593 ( -0.591 0.949 2.203) 2.471 2.685 ( -1.497 2.060 0.466) 2.589 2.741 ( -3.039 -1.786 1.415) 3.799 2.823 ( -1.126 2.214 -2.001) 3.190 2.881 ( 1.341 -0.571 -3.818) 4.086 2.924 ( -2.069 -0.674 -6.372) 6.733 2.978 ( -2.339 -3.263 -6.526) 7.662 3.077 ( 0.937 6.858 -3.854) 7.922 3.210 ( 2.218 -4.302 -3.269) 5.841 3.268 ( 4.568 2.133 -2.270) 5.529 3.298 ( 3.249 0.439 -4.548) 5.606 3.417 ( 1.134 0.322 -2.362) 2.640 3.464 ( -0.279 -3.049 -3.735) 4.829 3.551 ( -0.794 0.905 0.246) 1.229 3.565 ( 1.252 -0.439 -0.335) 1.368 3.688 ( 4.299 1.231 2.941) 5.352 3.712 ( 4.210 -1.078 2.888) 5.218 3.820 ( -1.312 1.867 4.121) 4.711 3.850 ( -1.272 -1.239 3.723) 4.125 3.946 ( 0.698 1.866 -0.951) 2.208 3.969 ( 1.889 0.012 -0.418) 1.935 4.185 ( 5.930 7.074 -1.076) 9.293 4.301 ( 7.750 -3.600 -2.238) 8.834 4.500 ( -0.575 8.999 2.431) 9.339 4.682 ( 0.829 -6.424 3.857) 7.539 4.877 ( 1.231 7.080 -4.002) 8.225 5.058 ( 6.609 -5.451 -4.850) 9.844 5.181 ( -3.369 1.553 1.569) 4.028 5.314 ( 4.550 -7.962 6.005) 10.962 5.601 ( 3.716 10.537 1.247) 11.242 5.845 ( 8.865 -11.420 -0.592) 14.469 6.797 ( -1.965 2.153 0.617) 2.979 6.881 ( -0.627 -5.700 1.923) 6.048 7.033 ( -1.435 2.488 1.125) 3.085 7.090 ( -1.273 -3.033 0.982) 3.433 7.451 ( -0.147 3.858 -0.875) 3.959 7.501 ( -0.592 -0.495 0.049) 0.773 7.850 ( 3.645 3.839 0.770) 5.350 7.936 ( 3.442 -3.797 1.693) 5.397 17.565 ( -2.331 1.968 -0.435) 3.082 17.607 ( -1.969 -1.776 0.135) 2.655 17.690 ( -3.800 4.535 0.437) 5.932 17.771 ( -2.389 -2.855 0.228) 3.729 18.561 ( -3.694 2.336 -2.654) 5.113 18.622 ( -3.778 -3.382 -1.713) 5.352 18.944 ( 5.366 4.590 -1.951) 7.326 19.026 ( 4.870 -2.570 -3.929) 6.765 ======================= Grid point 108 (63/78) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 2.082 10.652 7.107) 12.973 0.883 ( -8.646 12.521 3.799) 15.683 0.930 ( 3.783 -13.270 1.612) 13.892 1.134 ( -6.740 -10.959 1.676) 12.974 1.296 ( 0.652 -0.979 -2.255) 2.543 1.319 ( -1.429 -2.981 -4.696) 5.743 1.498 ( -2.548 1.869 -0.988) 3.311 1.539 ( -0.781 -1.520 -4.195) 4.530 1.576 ( -7.094 3.567 -2.001) 8.189 1.650 ( -9.006 -3.140 -3.969) 10.331 1.802 ( -2.450 9.387 7.207) 12.086 1.907 ( -0.464 -0.864 4.757) 4.858 1.933 ( 0.596 0.872 3.433) 3.592 2.016 ( -1.440 -0.886 1.398) 2.195 2.042 ( -1.897 2.199 -1.520) 3.278 2.076 ( 1.704 0.968 -2.371) 3.076 2.129 ( -0.048 -1.995 -2.886) 3.508 2.206 ( -1.662 -3.805 0.621) 4.198 2.243 ( 0.167 3.064 1.806) 3.561 2.293 ( 4.078 2.431 3.386) 5.831 2.321 ( 1.170 -3.768 2.671) 4.765 2.365 ( -1.234 -2.625 3.935) 4.889 2.393 ( 1.781 -3.480 5.246) 6.542 2.428 ( 0.179 -1.978 6.637) 6.928 2.572 ( -0.650 2.904 -0.161) 2.980 2.598 ( -2.100 -0.094 2.913) 3.592 2.674 ( -0.067 2.869 0.276) 2.883 2.713 ( 0.641 -1.986 1.814) 2.765 2.768 ( -1.152 3.530 -4.147) 5.567 2.831 ( -3.777 -0.585 -4.102) 5.607 2.917 ( 3.842 -3.110 -2.499) 5.539 2.930 ( 2.047 -3.568 -4.117) 5.820 3.018 ( -3.074 6.301 -5.024) 8.625 3.157 ( -1.800 -5.781 -8.914) 10.776 3.275 ( -0.904 4.202 -3.891) 5.797 3.339 ( 1.146 -0.847 -1.098) 1.799 3.435 ( 1.612 -1.482 -0.782) 2.325 3.446 ( 0.968 -1.527 -1.890) 2.615 3.539 ( 0.444 2.781 -0.542) 2.868 3.586 ( 1.718 -1.663 -0.817) 2.527 3.759 ( 0.883 1.840 3.363) 3.934 3.784 ( 1.070 -0.774 2.796) 3.092 3.852 ( 0.731 0.948 4.044) 4.217 3.864 ( -0.587 -0.828 4.243) 4.362 3.953 ( 0.699 3.097 -0.641) 3.239 4.003 ( 2.021 -1.252 -1.198) 2.662 4.278 ( 4.788 6.374 -1.631) 8.138 4.372 ( 2.659 -2.317 -4.139) 5.437 4.513 ( 0.070 7.468 1.486) 7.615 4.675 ( -3.392 -8.119 2.595) 9.174 4.882 ( 1.678 7.195 -2.791) 7.898 5.044 ( -0.579 -7.317 -8.613) 11.316 5.230 ( 3.441 10.838 6.000) 12.857 5.459 ( 5.178 -5.832 3.940) 8.737 5.702 ( 4.638 7.831 2.835) 9.533 5.986 ( 6.861 -14.154 -2.920) 15.997 6.758 ( -2.370 2.235 0.677) 3.327 6.848 ( -3.236 -6.175 -0.105) 6.972 7.015 ( -0.877 1.637 0.475) 1.917 7.070 ( -2.446 -3.980 1.364) 4.867 7.469 ( 1.749 3.255 1.387) 3.947 7.502 ( 0.574 0.125 1.158) 1.299 7.933 ( 3.645 2.951 1.193) 4.839 7.994 ( 1.453 -2.610 0.849) 3.106 17.513 ( -2.196 1.508 -0.328) 2.684 17.543 ( -2.906 -1.170 -0.793) 3.231 17.656 ( -1.933 3.584 1.800) 4.452 17.736 ( -1.424 -3.616 -0.667) 3.943 18.521 ( 0.487 2.773 1.040) 3.001 18.577 ( -0.099 -2.472 1.371) 2.829 18.986 ( 2.439 4.835 -6.757) 8.659 19.038 ( 0.141 -0.061 -6.107) 6.109 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -8.008 0.000 -13.303) 15.527 0.834 ( 8.008 0.000 13.303) 15.527 1.035 ( -0.522 0.000 -16.064) 16.072 1.035 ( 0.522 0.000 16.064) 16.072 1.362 ( 1.195 0.000 -4.068) 4.239 1.362 ( -1.195 0.000 4.068) 4.239 1.589 ( -3.922 0.000 -1.028) 4.054 1.589 ( 3.922 0.000 1.028) 4.054 1.734 ( 3.978 0.000 -11.058) 11.752 1.734 ( -3.978 0.000 11.058) 11.752 1.797 ( 0.793 0.000 -4.988) 5.051 1.797 ( -0.793 0.000 4.988) 5.051 1.906 ( -3.267 0.000 -6.590) 7.355 1.906 ( 3.267 0.000 6.590) 7.355 1.987 ( 3.244 0.000 -3.085) 4.477 1.987 ( -3.244 0.000 3.085) 4.477 2.096 ( -3.075 0.000 0.431) 3.105 2.096 ( 3.075 0.000 -0.431) 3.105 2.252 ( 0.198 0.000 -0.401) 0.447 2.252 ( -0.198 0.000 0.401) 0.447 2.391 ( 1.096 0.000 -0.626) 1.263 2.391 ( -1.096 0.000 0.626) 1.263 2.421 ( 1.584 0.000 -1.468) 2.160 2.421 ( -1.584 0.000 1.468) 2.160 2.518 ( -0.883 0.000 -6.826) 6.883 2.518 ( 0.883 0.000 6.826) 6.883 2.749 ( 0.206 0.000 -0.134) 0.245 2.749 ( -0.206 0.000 0.134) 0.245 2.837 ( -0.982 0.000 -8.495) 8.552 2.837 ( 0.982 0.000 8.495) 8.552 2.968 ( 1.609 0.000 -5.685) 5.908 2.968 ( -1.609 0.000 5.685) 5.908 3.105 ( -0.677 0.000 -7.834) 7.863 3.105 ( 0.677 0.000 7.834) 7.863 3.213 ( -0.178 0.000 -1.220) 1.233 3.213 ( 0.178 0.000 1.220) 1.233 3.385 ( -3.399 0.000 0.177) 3.404 3.385 ( 3.399 0.000 -0.177) 3.404 3.567 ( -1.442 0.000 -2.913) 3.250 3.567 ( 1.442 0.000 2.913) 3.250 3.819 ( 1.031 0.000 -4.262) 4.385 3.819 ( -1.031 0.000 4.262) 4.385 3.849 ( -1.068 0.000 -3.246) 3.417 3.849 ( 1.068 0.000 3.246) 3.417 3.973 ( 0.101 0.000 -3.355) 3.356 3.973 ( -0.101 0.000 3.355) 3.356 4.285 ( -1.260 0.000 -1.694) 2.111 4.285 ( 1.260 0.000 1.694) 2.111 4.548 ( -6.792 0.000 -5.212) 8.561 4.548 ( 6.792 0.000 5.212) 8.561 4.933 ( 7.667 0.000 -10.540) 13.034 4.933 ( -7.667 0.000 10.540) 13.034 5.098 ( -0.024 0.000 -4.884) 4.884 5.098 ( 0.024 0.000 4.884) 4.884 6.273 ( 5.062 0.000 -9.156) 10.462 6.273 ( -5.062 0.000 9.156) 10.462 6.860 ( 0.519 0.000 -4.517) 4.546 6.860 ( -0.519 0.000 4.517) 4.546 7.094 ( -10.908 0.000 -0.957) 10.950 7.094 ( 10.908 0.000 0.957) 10.950 7.451 ( 2.942 0.000 -1.331) 3.229 7.451 ( -2.942 0.000 1.331) 3.229 8.000 ( -3.521 0.000 -0.125) 3.523 8.000 ( 3.521 0.000 0.125) 3.523 17.486 ( -2.009 0.000 -0.366) 2.042 17.486 ( 2.009 0.000 0.366) 2.042 17.696 ( 0.498 0.000 -4.962) 4.987 17.696 ( -0.498 0.000 4.962) 4.987 18.543 ( -4.992 0.000 -2.092) 5.413 18.543 ( 4.992 0.000 2.092) 5.413 18.820 ( -9.691 0.000 -2.993) 10.143 18.820 ( 9.691 0.000 2.993) 10.143 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 6.424 0.000 -10.850) 12.609 0.911 ( 1.536 0.000 -14.855) 14.934 1.150 ( 12.181 0.000 11.045) 16.442 1.173 ( 1.607 0.000 13.104) 13.202 1.370 ( 1.657 0.000 -3.518) 3.889 1.396 ( 0.543 0.000 5.256) 5.284 1.506 ( -1.530 0.000 -0.667) 1.669 1.599 ( 5.572 0.000 -17.630) 18.489 1.709 ( -1.827 0.000 -0.983) 2.075 1.716 ( 1.560 0.000 -3.044) 3.420 1.757 ( -3.759 0.000 -6.335) 7.367 1.844 ( 0.981 0.000 3.027) 3.182 1.854 ( -1.565 0.000 2.348) 2.822 1.981 ( 4.005 0.000 -0.963) 4.120 2.052 ( -1.826 0.000 3.053) 3.557 2.055 ( 4.002 0.000 11.988) 12.638 2.084 ( 4.922 0.000 1.979) 5.305 2.142 ( -0.459 0.000 6.294) 6.310 2.252 ( -0.498 0.000 2.212) 2.267 2.261 ( 2.353 0.000 -2.070) 3.134 2.350 ( -2.708 0.000 -0.527) 2.759 2.374 ( -0.158 0.000 -4.556) 4.558 2.385 ( -2.219 0.000 -0.055) 2.219 2.393 ( -3.592 0.000 -0.817) 3.684 2.482 ( 1.705 0.000 -6.099) 6.332 2.611 ( 3.134 0.000 6.246) 6.988 2.733 ( 0.023 0.000 -7.674) 7.674 2.779 ( 1.005 0.000 3.204) 3.358 2.786 ( 1.120 0.000 0.127) 1.127 2.867 ( -3.623 0.000 8.759) 9.479 2.945 ( -0.212 0.000 -4.455) 4.460 2.980 ( -1.598 0.000 6.076) 6.282 3.040 ( 1.357 0.000 -8.068) 8.181 3.096 ( -4.061 0.000 2.987) 5.042 3.206 ( 0.203 0.000 -2.201) 2.211 3.325 ( 4.883 0.000 1.950) 5.258 3.403 ( 4.774 0.000 0.349) 4.787 3.414 ( -0.940 0.000 -0.847) 1.266 3.536 ( 2.579 0.000 -2.754) 3.773 3.586 ( -1.436 0.000 1.828) 2.325 3.778 ( -1.325 0.000 -4.948) 5.122 3.789 ( -1.619 0.000 -2.912) 3.332 3.817 ( -2.488 0.000 1.571) 2.942 3.887 ( 0.123 0.000 3.351) 3.354 3.945 ( -0.258 0.000 -2.076) 2.092 3.968 ( -3.412 0.000 3.138) 4.636 4.227 ( -7.290 0.000 -4.837) 8.749 4.247 ( 0.069 0.000 -3.076) 3.077 4.460 ( 0.399 0.000 1.897) 1.939 4.621 ( -5.540 0.000 2.711) 6.168 4.920 ( -1.768 0.000 15.004) 15.108 4.943 ( 0.366 0.000 -7.720) 7.728 5.120 ( 6.485 0.000 -4.014) 7.626 5.146 ( 1.477 0.000 4.408) 4.649 6.175 ( -7.536 0.000 -11.872) 14.062 6.184 ( -9.981 0.000 7.751) 12.637 6.858 ( 2.725 0.000 -2.533) 3.720 6.869 ( -2.095 0.000 4.307) 4.789 6.975 ( -2.310 0.000 3.987) 4.608 7.284 ( 6.090 0.000 1.051) 6.181 7.404 ( -2.250 0.000 -0.153) 2.255 7.486 ( 2.311 0.000 -3.576) 4.257 7.887 ( -7.925 0.000 -0.184) 7.927 8.033 ( 0.115 0.000 0.689) 0.698 17.474 ( 0.895 0.000 0.074) 0.898 17.543 ( 3.326 0.000 0.022) 3.326 17.677 ( 1.195 0.000 -4.228) 4.393 17.727 ( -0.354 0.000 4.690) 4.703 18.460 ( -1.856 0.000 -1.340) 2.289 18.656 ( 5.662 0.000 0.724) 5.708 18.664 ( -2.462 0.000 -2.885) 3.792 18.988 ( 6.648 0.000 -2.221) 7.009 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 3.233 0.000 -10.661) 11.141 0.881 ( 15.202 0.000 -4.541) 15.866 1.259 ( -1.189 0.000 6.600) 6.706 1.358 ( 2.886 0.000 -4.128) 5.037 1.397 ( 3.361 0.000 7.724) 8.423 1.444 ( -0.362 0.000 7.379) 7.387 1.561 ( 2.828 0.000 7.370) 7.894 1.578 ( 5.644 0.000 -17.104) 18.011 1.612 ( -3.583 0.000 -4.845) 6.026 1.737 ( 4.974 0.000 -2.971) 5.793 1.738 ( 0.124 0.000 2.873) 2.875 1.851 ( 0.275 0.000 2.188) 2.206 1.880 ( 4.710 0.000 0.059) 4.710 1.981 ( -4.716 0.000 -0.409) 4.734 2.085 ( 4.312 0.000 -2.758) 5.119 2.090 ( -1.881 0.000 -2.242) 2.926 2.158 ( 1.739 0.000 2.445) 3.000 2.264 ( -4.454 0.000 -0.448) 4.476 2.290 ( 4.732 0.000 9.343) 10.473 2.298 ( 1.182 0.000 -2.020) 2.340 2.304 ( 2.643 0.000 2.733) 3.802 2.330 ( -0.710 0.000 -1.208) 1.401 2.367 ( 1.232 0.000 0.393) 1.294 2.396 ( 6.556 0.000 -3.116) 7.259 2.480 ( 1.712 0.000 -1.954) 2.598 2.701 ( 1.735 0.000 5.388) 5.661 2.716 ( 0.462 0.000 -3.456) 3.486 2.776 ( 0.639 0.000 -3.175) 3.238 2.776 ( -3.727 0.000 2.881) 4.711 2.881 ( -2.008 0.000 8.492) 8.726 2.913 ( 1.209 0.000 -5.120) 5.261 3.007 ( -1.559 0.000 7.321) 7.485 3.052 ( 4.670 0.000 -4.368) 6.395 3.063 ( -1.381 0.000 3.230) 3.513 3.188 ( -10.835 0.000 -2.559) 11.133 3.218 ( 2.236 0.000 -0.717) 2.348 3.489 ( 1.272 0.000 0.730) 1.467 3.497 ( 3.580 0.000 -0.093) 3.581 3.549 ( -2.464 0.000 0.448) 2.505 3.577 ( 2.540 0.000 -2.105) 3.299 3.710 ( -2.291 0.000 -3.730) 4.378 3.742 ( -1.416 0.000 -2.040) 2.483 3.785 ( 0.203 0.000 -1.386) 1.400 3.876 ( -5.878 0.000 2.250) 6.294 3.919 ( -1.824 0.000 3.677) 4.104 3.942 ( 1.065 0.000 -1.484) 1.826 4.036 ( -8.100 0.000 -3.630) 8.876 4.245 ( 1.236 0.000 -2.346) 2.651 4.433 ( -13.272 0.000 1.352) 13.341 4.498 ( 0.176 0.000 1.789) 1.798 4.906 ( 2.239 0.000 -3.510) 4.163 5.026 ( 0.965 0.000 11.306) 11.347 5.226 ( 2.519 0.000 5.722) 6.253 5.237 ( 8.264 0.000 -2.877) 8.750 5.876 ( -12.780 0.000 -12.109) 17.605 6.037 ( -11.433 0.000 6.137) 12.976 6.862 ( -2.044 0.000 2.915) 3.560 6.918 ( 4.639 0.000 -1.670) 4.930 7.006 ( 0.581 0.000 6.625) 6.650 7.321 ( 0.236 0.000 -3.918) 3.925 7.372 ( -1.187 0.000 -0.033) 1.187 7.397 ( -8.456 0.000 -6.638) 10.750 7.804 ( 0.494 0.000 1.164) 1.265 8.022 ( -1.431 0.000 -0.045) 1.432 17.514 ( 2.841 0.000 0.711) 2.928 17.590 ( 2.411 0.000 -1.583) 2.884 17.676 ( 1.440 0.000 -3.033) 3.357 17.745 ( -1.141 0.000 3.327) 3.518 18.465 ( 2.276 0.000 1.677) 2.828 18.708 ( 4.035 0.000 6.653) 7.781 18.756 ( 5.417 0.000 -1.850) 5.724 19.019 ( 0.025 0.000 -5.725) 5.725 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 6.344 0.000 -3.948) 7.472 1.106 ( 7.190 0.000 -3.173) 7.859 1.233 ( -0.094 0.000 -0.766) 0.772 1.382 ( 2.865 0.000 -3.982) 4.906 1.448 ( -2.535 0.000 4.843) 5.466 1.483 ( -1.535 0.000 7.381) 7.539 1.542 ( 0.044 0.000 -2.902) 2.903 1.548 ( -0.471 0.000 -4.307) 4.333 1.650 ( 1.285 0.000 5.919) 6.057 1.774 ( -0.984 0.000 4.174) 4.289 1.845 ( 4.623 0.000 1.918) 5.005 1.865 ( -0.300 0.000 -2.136) 2.157 1.919 ( 3.959 0.000 3.431) 5.239 2.049 ( 5.686 0.000 0.702) 5.730 2.062 ( 1.522 0.000 -1.377) 2.053 2.143 ( 4.875 0.000 -0.167) 4.878 2.158 ( -1.846 0.000 -5.635) 5.930 2.192 ( 2.200 0.000 -4.122) 4.672 2.265 ( -2.065 0.000 -3.369) 3.952 2.283 ( 1.175 0.000 -3.290) 3.493 2.356 ( 0.351 0.000 1.474) 1.515 2.404 ( 0.314 0.000 2.402) 2.423 2.416 ( -0.444 0.000 4.078) 4.102 2.500 ( 7.847 0.000 -8.055) 11.245 2.522 ( 3.608 0.000 -1.136) 3.782 2.650 ( -5.416 0.000 3.933) 6.693 2.674 ( -7.748 0.000 -2.415) 8.116 2.769 ( -3.800 0.000 0.544) 3.838 2.835 ( 6.227 0.000 -2.301) 6.638 2.911 ( -7.774 0.000 10.747) 13.264 2.923 ( 4.790 0.000 -7.142) 8.600 2.933 ( 2.252 0.000 8.108) 8.415 3.039 ( -2.606 0.000 4.737) 5.407 3.111 ( 3.464 0.000 -3.106) 4.652 3.170 ( 3.126 0.000 6.926) 7.599 3.271 ( 2.595 0.000 2.708) 3.750 3.453 ( -2.537 0.000 -3.563) 4.374 3.473 ( -3.493 0.000 -1.427) 3.773 3.541 ( -1.442 0.000 -2.421) 2.818 3.560 ( -2.182 0.000 -1.665) 2.745 3.649 ( -0.102 0.000 -2.758) 2.759 3.702 ( -1.956 0.000 0.004) 1.956 3.774 ( -5.290 0.000 3.257) 6.213 3.794 ( 0.482 0.000 -4.888) 4.912 3.906 ( -1.166 0.000 -0.063) 1.167 3.923 ( -1.260 0.000 4.086) 4.276 3.957 ( 0.966 0.000 -3.002) 3.153 4.148 ( -10.384 0.000 -1.211) 10.455 4.316 ( 1.577 0.000 -0.233) 1.594 4.463 ( -3.849 0.000 -0.774) 3.926 5.007 ( 8.786 0.000 0.399) 8.795 5.121 ( 1.299 0.000 8.609) 8.707 5.290 ( -0.749 0.000 5.646) 5.695 5.366 ( 5.923 0.000 -1.790) 6.188 5.589 ( -6.435 0.000 -10.346) 12.184 5.843 ( -12.672 0.000 2.374) 12.892 6.843 ( -1.411 0.000 2.377) 2.764 6.951 ( -0.170 0.000 -5.512) 5.515 7.077 ( 0.461 0.000 8.499) 8.511 7.189 ( -3.395 0.000 -6.659) 7.475 7.303 ( 0.018 0.000 -2.759) 2.760 7.347 ( -1.670 0.000 -0.118) 1.675 7.861 ( 2.875 0.000 2.079) 3.548 7.983 ( -2.156 0.000 -1.280) 2.507 17.579 ( 2.880 0.000 1.476) 3.236 17.617 ( 1.968 0.000 -2.018) 2.819 17.681 ( 1.178 0.000 -2.122) 2.427 17.730 ( -2.404 0.000 1.882) 3.053 18.567 ( 5.710 0.000 5.009) 7.596 18.821 ( 3.469 0.000 -4.781) 5.907 18.831 ( 0.492 0.000 11.119) 11.130 18.926 ( -3.317 0.000 -7.709) 8.392 ======================= Grid point 130 (68/78) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -8.334 0.000 -0.019) 8.334 1.019 ( 8.334 0.000 0.019) 8.334 1.342 ( 8.747 0.000 -6.384) 10.829 1.342 ( -8.747 0.000 6.384) 10.829 1.459 ( 3.971 0.000 -2.713) 4.810 1.459 ( -3.971 0.000 2.713) 4.810 1.538 ( 1.200 0.000 -4.076) 4.249 1.538 ( -1.200 0.000 4.076) 4.249 1.719 ( -3.670 0.000 -0.522) 3.707 1.719 ( 3.670 0.000 0.522) 3.707 1.911 ( -0.503 0.000 -0.361) 0.619 1.911 ( 0.503 0.000 0.361) 0.619 1.996 ( -5.189 0.000 0.629) 5.227 1.996 ( 5.189 0.000 -0.629) 5.227 2.111 ( 0.590 0.000 -9.257) 9.276 2.111 ( -0.590 0.000 9.257) 9.276 2.199 ( -1.617 0.000 -4.156) 4.459 2.199 ( 1.617 0.000 4.156) 4.459 2.322 ( -1.727 0.000 -0.079) 1.728 2.322 ( 1.727 0.000 0.079) 1.728 2.390 ( -4.704 0.000 1.433) 4.917 2.390 ( 4.704 0.000 -1.433) 4.917 2.421 ( -9.923 0.000 -1.378) 10.018 2.421 ( 9.923 0.000 1.378) 10.018 2.567 ( 2.707 0.000 -6.688) 7.215 2.567 ( -2.707 0.000 6.688) 7.215 2.642 ( -3.701 0.000 -1.519) 4.001 2.642 ( 3.701 0.000 1.519) 4.001 2.903 ( 3.063 0.000 -5.362) 6.175 2.903 ( -3.063 0.000 5.362) 6.175 2.987 ( 7.182 0.000 -6.715) 9.832 2.987 ( -7.182 0.000 6.715) 9.832 3.089 ( -3.745 0.000 -4.952) 6.208 3.089 ( 3.745 0.000 4.952) 6.208 3.305 ( -5.049 0.000 -3.716) 6.269 3.305 ( 5.049 0.000 3.716) 6.269 3.379 ( -1.059 0.000 -1.511) 1.845 3.379 ( 1.059 0.000 1.511) 1.845 3.511 ( -1.192 0.000 -0.084) 1.195 3.511 ( 1.192 0.000 0.084) 1.195 3.669 ( 2.590 0.000 -1.806) 3.157 3.669 ( -2.590 0.000 1.806) 3.157 3.749 ( 0.949 0.000 -5.063) 5.151 3.749 ( -0.949 0.000 5.063) 5.151 3.933 ( 1.583 0.000 -4.397) 4.673 3.933 ( -1.583 0.000 4.397) 4.673 3.981 ( -5.309 0.000 -1.370) 5.483 3.981 ( 5.309 0.000 1.370) 5.483 4.377 ( -4.067 0.000 -0.869) 4.158 4.377 ( 4.067 0.000 0.869) 4.158 5.155 ( 5.449 0.000 -3.661) 6.564 5.155 ( -5.449 0.000 3.661) 6.564 5.323 ( -2.355 0.000 -6.051) 6.493 5.323 ( 2.355 0.000 6.051) 6.493 5.625 ( -11.014 0.000 1.474) 11.112 5.625 ( 11.014 0.000 -1.474) 11.112 6.870 ( -1.840 0.000 -4.528) 4.887 6.870 ( 1.840 0.000 4.528) 4.887 7.137 ( 1.093 0.000 -8.482) 8.552 7.137 ( -1.093 0.000 8.482) 8.552 7.311 ( -1.718 0.000 -0.178) 1.727 7.311 ( 1.718 0.000 0.178) 1.727 7.926 ( -2.493 0.000 -2.054) 3.231 7.926 ( 2.493 0.000 2.054) 3.231 17.625 ( 0.002 0.000 -2.185) 2.185 17.625 ( -0.002 0.000 2.185) 2.185 17.695 ( 2.302 0.000 -1.898) 2.984 17.695 ( -2.302 0.000 1.898) 2.984 18.732 ( -6.463 0.000 -6.546) 9.199 18.732 ( 6.463 0.000 6.546) 9.199 18.878 ( 3.230 0.000 -9.466) 10.002 18.878 ( -3.230 0.000 9.466) 10.002 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -6.791 4.359 -11.605) 14.135 0.884 ( 6.791 4.359 11.605) 14.135 0.996 ( -1.143 -2.346 -16.056) 16.267 0.996 ( 1.143 -2.346 16.056) 16.267 1.297 ( 1.152 -5.478 -2.428) 6.102 1.297 ( -1.152 -5.478 2.428) 6.102 1.510 ( -5.692 -7.965 -2.189) 10.032 1.510 ( 5.692 -7.965 2.189) 10.032 1.652 ( 1.323 -3.984 -3.775) 5.646 1.652 ( -1.323 -3.984 3.775) 5.646 1.889 ( 1.571 6.397 -13.406) 14.937 1.889 ( -1.571 6.397 13.406) 14.937 1.938 ( 1.382 2.040 -1.199) 2.741 1.938 ( -1.382 2.040 1.199) 2.741 2.041 ( 1.493 1.787 -5.548) 6.017 2.041 ( -1.493 1.787 5.548) 6.017 2.094 ( -0.356 2.005 -5.997) 6.333 2.094 ( 0.356 2.005 5.997) 6.333 2.272 ( 1.463 0.147 -2.185) 2.634 2.272 ( -1.463 0.147 2.185) 2.634 2.334 ( -0.071 -0.282 -0.603) 0.670 2.334 ( 0.071 -0.282 0.603) 0.670 2.476 ( -1.103 3.464 -2.321) 4.313 2.476 ( 1.103 3.464 2.321) 4.313 2.568 ( -1.250 3.166 -3.014) 4.546 2.568 ( 1.250 3.166 3.014) 4.546 2.714 ( -1.491 -1.608 -1.978) 2.953 2.714 ( 1.491 -1.608 1.978) 2.953 2.836 ( -3.409 -0.933 -6.146) 7.090 2.836 ( 3.409 -0.933 6.146) 7.090 2.925 ( 2.153 -5.468 -6.887) 9.054 2.925 ( -2.153 -5.468 6.887) 9.054 3.062 ( -1.268 -3.559 -3.957) 5.471 3.062 ( 1.268 -3.559 3.957) 5.471 3.218 ( -3.373 1.363 -5.066) 6.237 3.218 ( 3.373 1.363 5.066) 6.237 3.427 ( 0.328 2.892 -0.163) 2.915 3.427 ( -0.328 2.892 0.163) 2.915 3.561 ( -1.513 -0.539 -2.891) 3.308 3.561 ( 1.513 -0.539 2.891) 3.308 3.833 ( -1.135 -0.458 -2.522) 2.803 3.833 ( 1.135 -0.458 2.522) 2.803 3.876 ( 2.055 3.324 -3.123) 5.002 3.876 ( -2.055 3.324 3.123) 5.002 3.959 ( 0.211 -0.592 -2.542) 2.619 3.959 ( -0.211 -0.592 2.542) 2.619 4.283 ( -1.905 0.396 -2.849) 3.450 4.283 ( 1.905 0.396 2.849) 3.450 4.583 ( -5.291 2.117 -8.146) 9.941 4.583 ( 5.291 2.117 8.146) 9.941 4.918 ( 4.721 -1.556 -7.856) 9.297 4.918 ( -4.721 -1.556 7.856) 9.297 5.187 ( -0.972 8.983 -5.226) 10.438 5.187 ( 0.972 8.983 5.226) 10.438 6.173 ( 3.140 -9.498 -9.168) 13.569 6.173 ( -3.140 -9.498 9.168) 13.569 6.816 ( -2.035 -3.093 -3.550) 5.130 6.816 ( 2.035 -3.093 3.550) 5.130 7.068 ( -6.759 -2.150 -0.650) 7.123 7.068 ( 6.759 -2.150 0.650) 7.123 7.487 ( -0.644 2.862 -0.835) 3.050 7.487 ( 0.644 2.862 0.835) 3.050 7.998 ( -2.818 -0.154 -0.701) 2.908 7.998 ( 2.818 -0.154 0.701) 2.908 17.492 ( -1.588 0.552 -0.494) 1.752 17.492 ( 1.588 0.552 0.494) 1.752 17.689 ( -0.023 -0.604 -4.169) 4.213 17.689 ( 0.023 -0.604 4.169) 4.213 18.590 ( -4.903 3.658 -3.079) 6.848 18.590 ( 4.903 3.658 3.079) 6.848 18.834 ( -8.242 1.199 -2.581) 8.719 18.834 ( 8.242 1.199 2.581) 8.719 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 4.589 5.244 -9.845) 12.062 0.877 ( 2.136 -1.284 -14.858) 15.066 1.126 ( 4.768 -3.338 6.784) 8.938 1.144 ( 4.709 -2.366 13.679) 14.659 1.313 ( 2.844 -3.219 3.361) 5.454 1.332 ( 1.276 -4.976 -0.989) 5.231 1.428 ( 0.707 -5.912 0.005) 5.954 1.624 ( 2.404 -1.084 -5.577) 6.169 1.633 ( -1.084 -3.818 -0.483) 3.998 1.654 ( 5.355 -5.962 0.584) 8.035 1.812 ( 1.761 6.051 -10.749) 12.461 1.871 ( -2.543 3.589 1.145) 4.545 1.950 ( -3.156 4.946 0.098) 5.868 2.011 ( 3.764 1.807 1.612) 4.476 2.021 ( -0.918 -1.492 1.638) 2.398 2.080 ( 3.802 0.729 -1.056) 4.013 2.106 ( 3.918 0.538 -0.619) 4.003 2.162 ( -3.466 1.125 11.789) 12.340 2.255 ( -1.563 -2.458 -1.181) 3.143 2.278 ( 1.939 3.499 5.864) 7.099 2.322 ( -0.522 0.729 0.107) 0.903 2.327 ( 0.242 1.742 -2.664) 3.192 2.420 ( -1.868 2.044 -3.255) 4.273 2.479 ( -1.633 5.359 0.520) 5.627 2.517 ( -1.006 2.023 -4.468) 5.007 2.638 ( 3.330 1.226 3.595) 5.051 2.706 ( -0.581 -2.517 -7.071) 7.528 2.736 ( 2.097 -0.483 0.167) 2.159 2.780 ( 2.194 -0.758 1.335) 2.677 2.874 ( -0.254 -0.214 1.494) 1.531 2.898 ( -3.343 -4.128 0.458) 5.332 2.943 ( -0.664 -5.421 4.832) 7.292 3.037 ( -3.880 -4.511 0.887) 6.016 3.081 ( 4.884 -1.784 -4.076) 6.607 3.177 ( -0.092 3.425 -1.639) 3.798 3.329 ( 3.177 -0.190 3.370) 4.635 3.417 ( -2.445 0.273 -0.781) 2.581 3.455 ( 3.398 3.503 0.219) 4.886 3.518 ( 1.231 -1.434 -2.407) 3.061 3.582 ( -1.007 -0.442 1.380) 1.765 3.783 ( -2.106 0.479 -2.235) 3.108 3.827 ( -3.073 -0.474 0.566) 3.160 3.866 ( 0.436 3.064 -2.222) 3.810 3.878 ( 0.183 3.367 -0.506) 3.409 3.929 ( -2.259 -1.580 0.633) 2.829 3.968 ( -0.957 0.524 1.192) 1.616 4.199 ( -4.992 0.997 -2.377) 5.618 4.318 ( -1.174 0.045 3.414) 3.611 4.447 ( -2.470 4.035 -5.890) 7.555 4.705 ( -0.120 3.777 4.446) 5.835 4.856 ( -2.660 -3.590 5.249) 6.893 4.980 ( 1.225 -0.193 0.718) 1.433 5.140 ( 1.245 4.639 -4.219) 6.393 5.237 ( 0.608 8.454 4.838) 9.760 6.042 ( -8.588 -10.606 -7.309) 15.481 6.126 ( -7.640 -7.143 3.609) 11.064 6.773 ( -0.245 -3.048 0.028) 3.058 6.894 ( 2.565 -2.326 4.169) 5.419 6.986 ( -1.911 1.613 0.570) 2.565 7.206 ( 5.416 -6.211 0.820) 8.281 7.435 ( -2.507 2.813 -1.570) 4.082 7.511 ( 1.475 1.794 -2.653) 3.526 7.904 ( -6.530 1.608 -0.466) 6.741 8.028 ( -0.041 -0.686 0.866) 1.105 17.481 ( 0.675 0.675 0.321) 1.007 17.539 ( 2.623 -0.385 0.329) 2.671 17.674 ( 1.386 0.275 -2.632) 2.987 17.739 ( 2.063 0.364 2.209) 3.044 18.493 ( -2.579 2.935 -2.134) 4.452 18.655 ( -0.996 -0.694 -2.448) 2.732 18.739 ( 1.933 6.361 2.477) 7.095 18.983 ( 5.648 -0.624 -0.556) 5.710 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 4.142 -3.914 -11.155) 12.526 0.949 ( 12.353 5.304 -4.481) 14.171 1.149 ( -1.558 -9.707 0.122) 9.833 1.306 ( 2.984 -2.843 3.877) 5.658 1.329 ( 1.146 -3.714 2.166) 4.450 1.423 ( 3.628 -1.763 3.473) 5.323 1.541 ( 2.592 -1.233 6.328) 6.948 1.622 ( 2.368 -0.185 -3.427) 4.170 1.653 ( 7.039 -2.427 -0.594) 7.469 1.754 ( -1.401 4.815 -1.099) 5.134 1.794 ( 2.685 5.001 -4.550) 7.275 1.836 ( -1.980 1.133 5.417) 5.877 1.888 ( 1.676 -0.709 -0.547) 1.901 1.961 ( -5.147 -1.149 -2.758) 5.951 2.085 ( 2.086 -1.775 -2.691) 3.840 2.121 ( -1.728 -2.405 4.103) 5.060 2.129 ( 4.489 3.307 -3.065) 6.363 2.219 ( 0.763 -1.123 2.136) 2.531 2.250 ( 1.010 -1.015 0.117) 1.436 2.272 ( -1.309 -0.665 -1.402) 2.030 2.323 ( 3.764 -0.381 -3.381) 5.074 2.368 ( 0.842 1.063 -4.067) 4.287 2.448 ( -0.456 4.875 -1.382) 5.088 2.459 ( 4.371 6.960 9.331) 12.434 2.505 ( 1.733 3.263 0.933) 3.810 2.682 ( 1.972 -3.434 -2.853) 4.881 2.704 ( 1.264 -0.853 2.089) 2.586 2.777 ( 0.831 2.111 -1.647) 2.803 2.798 ( 0.535 0.861 0.872) 1.337 2.850 ( -1.237 -3.653 -1.534) 4.151 2.903 ( 1.596 0.581 2.355) 2.904 2.978 ( 1.694 -6.008 0.856) 6.301 3.000 ( -1.489 -2.589 6.366) 7.032 3.115 ( -1.876 -1.920 -1.473) 3.062 3.174 ( 3.039 5.225 -0.070) 6.045 3.236 ( -7.692 1.943 -2.260) 8.250 3.449 ( 0.783 -3.040 2.707) 4.145 3.512 ( -0.373 -1.471 -2.556) 2.973 3.547 ( 3.116 1.185 -0.481) 3.368 3.563 ( 0.040 -0.451 -0.470) 0.653 3.711 ( -4.033 0.416 -1.712) 4.401 3.767 ( -2.791 0.595 -1.365) 3.163 3.845 ( -2.340 0.396 -1.051) 2.595 3.871 ( 0.054 3.482 -0.209) 3.489 3.895 ( -1.987 -0.738 2.319) 3.141 3.951 ( -0.439 0.688 -1.173) 1.429 4.067 ( -6.803 3.110 -1.529) 7.635 4.286 ( -5.213 -0.741 2.939) 6.030 4.393 ( -0.742 4.689 -2.874) 5.549 4.637 ( -6.521 7.419 1.464) 9.986 4.893 ( 3.023 -2.926 -1.142) 4.359 4.993 ( -1.610 -1.738 8.056) 8.397 5.194 ( 5.196 -1.552 -0.258) 5.429 5.295 ( 2.370 4.953 3.062) 6.287 5.779 ( -10.969 -8.074 -10.358) 17.111 5.984 ( -10.421 -5.463 4.320) 12.534 6.790 ( 0.563 -2.882 1.540) 3.315 6.960 ( -0.032 -3.569 4.517) 5.757 6.996 ( 3.059 3.416 -0.049) 4.586 7.236 ( -1.481 -5.810 -2.949) 6.682 7.378 ( -1.918 2.724 -1.942) 3.857 7.493 ( -1.434 3.760 -3.147) 5.109 7.803 ( -2.367 0.923 0.497) 2.589 8.013 ( -1.842 -1.285 -0.164) 2.252 17.516 ( 2.124 0.422 1.206) 2.479 17.594 ( 2.845 -0.668 1.062) 3.109 17.678 ( 0.848 2.025 -2.930) 3.661 17.788 ( 1.938 2.243 0.030) 2.964 18.481 ( 1.750 1.570 1.235) 2.655 18.662 ( 2.797 -2.944 2.402) 4.718 18.812 ( 2.534 3.825 1.359) 4.785 19.018 ( -0.363 -0.425 -2.984) 3.036 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 6.191 -5.138 -5.218) 9.589 1.035 ( -3.212 -8.374 -1.248) 9.055 1.223 ( 11.502 2.772 -3.836) 12.437 1.336 ( 3.516 -2.340 -3.589) 5.543 1.395 ( -0.134 -3.140 5.539) 6.369 1.496 ( 2.600 0.424 1.273) 2.926 1.596 ( 1.197 -2.791 3.466) 4.608 1.599 ( -6.696 3.829 4.632) 8.998 1.652 ( -4.243 5.397 -1.867) 7.115 1.748 ( 0.069 -5.886 -1.411) 6.053 1.829 ( 0.241 0.609 0.592) 0.883 1.883 ( 2.989 1.727 -0.094) 3.453 1.919 ( 5.547 0.052 9.068) 10.630 2.008 ( 3.787 -2.879 1.494) 4.986 2.067 ( -0.570 -5.340 -2.102) 5.767 2.119 ( 1.174 2.965 -0.475) 3.224 2.160 ( -0.885 2.130 -1.948) 3.019 2.196 ( -1.789 -5.154 -1.643) 5.697 2.249 ( 6.078 5.118 -7.783) 11.122 2.310 ( 0.816 0.478 0.425) 1.037 2.329 ( -0.704 -2.523 -4.433) 5.149 2.377 ( 5.518 2.220 -3.832) 7.076 2.493 ( 0.683 2.408 3.144) 4.018 2.519 ( 1.225 2.893 0.346) 3.161 2.568 ( 2.274 5.553 2.359) 6.447 2.691 ( -2.986 -0.040 -1.863) 3.520 2.701 ( -0.947 1.307 -0.649) 1.740 2.783 ( -1.995 2.780 -1.936) 3.932 2.810 ( 0.696 -3.480 0.870) 3.654 2.887 ( 6.268 1.462 3.051) 7.123 2.948 ( 0.718 0.305 2.098) 2.238 2.989 ( -1.536 0.092 -0.004) 1.539 3.011 ( -1.745 -1.552 5.535) 6.007 3.075 ( 0.288 0.843 5.083) 5.160 3.171 ( 1.232 -5.508 -0.539) 5.670 3.246 ( 3.221 2.714 1.715) 4.548 3.421 ( -3.090 -3.276 -3.580) 5.753 3.469 ( -2.127 -0.383 0.428) 2.203 3.516 ( -3.309 -1.196 -1.390) 3.783 3.579 ( -1.062 1.047 -3.107) 3.447 3.638 ( -1.263 -0.601 -1.731) 2.225 3.691 ( -4.064 -1.241 -0.678) 4.302 3.798 ( -1.107 2.742 1.402) 3.273 3.864 ( -2.283 1.643 -0.755) 2.913 3.898 ( 1.944 1.294 0.099) 2.337 3.936 ( -0.940 0.527 -0.089) 1.081 3.970 ( -1.688 3.250 0.655) 3.720 4.159 ( -8.344 0.899 -0.250) 8.396 4.383 ( 1.413 5.998 -0.960) 6.236 4.527 ( -5.570 5.283 -0.515) 7.694 4.973 ( 6.083 -3.391 0.156) 6.966 5.042 ( 0.181 -7.031 6.787) 9.774 5.275 ( 0.974 -1.567 3.751) 4.181 5.353 ( 1.316 -1.234 -0.925) 2.028 5.553 ( -2.783 -1.988 -7.821) 8.536 5.805 ( -10.950 -3.738 1.277) 11.641 6.809 ( 0.417 -1.652 2.230) 2.806 6.947 ( -2.917 -1.697 -2.029) 3.938 7.064 ( 2.418 -0.355 2.816) 3.728 7.163 ( -1.322 -1.987 -4.059) 4.709 7.348 ( -0.246 4.178 0.142) 4.188 7.432 ( -2.442 6.034 -2.158) 6.858 7.823 ( 2.384 -2.725 1.918) 4.097 7.962 ( -2.833 -2.255 -1.424) 3.891 17.567 ( 2.006 -0.006 1.625) 2.581 17.641 ( -0.500 -1.772 0.710) 1.973 17.684 ( 3.549 4.693 -1.581) 6.092 17.797 ( -0.394 3.735 -1.726) 4.133 18.572 ( 5.264 0.530 4.574) 6.993 18.757 ( 3.024 -4.808 5.183) 7.690 18.831 ( -0.085 0.652 -3.114) 3.183 18.945 ( -4.133 0.296 -2.798) 5.000 ======================= Grid point 140 (73/78) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -6.897 -7.377 0.814) 10.131 0.929 ( 6.897 -7.377 -0.814) 10.131 1.342 ( 5.180 0.049 -5.673) 7.683 1.342 ( -5.180 0.049 5.673) 7.683 1.481 ( -5.085 1.426 0.048) 5.281 1.481 ( 5.085 1.426 -0.048) 5.281 1.553 ( -2.834 2.252 -0.543) 3.660 1.553 ( 2.834 2.252 0.543) 3.660 1.676 ( -2.977 -3.372 -3.822) 5.903 1.676 ( 2.977 -3.372 3.822) 5.903 1.898 ( -2.089 -3.086 -4.110) 5.548 1.898 ( 2.089 -3.086 4.110) 5.548 2.021 ( -2.075 0.270 -7.108) 7.410 2.021 ( 2.075 0.270 7.108) 7.410 2.089 ( -1.016 -2.032 -9.388) 9.659 2.089 ( 1.016 -2.032 9.388) 9.659 2.173 ( -2.053 1.532 -3.047) 3.981 2.173 ( 2.053 1.532 3.047) 3.981 2.261 ( -2.647 -1.365 -0.679) 3.055 2.261 ( 2.647 -1.365 0.679) 3.055 2.414 ( -4.324 1.699 1.000) 4.752 2.414 ( 4.324 1.699 -1.000) 4.752 2.524 ( 1.720 2.558 -3.687) 4.806 2.524 ( -1.720 2.558 3.687) 4.806 2.595 ( -0.850 5.595 -1.387) 5.827 2.595 ( 0.850 5.595 1.387) 5.827 2.688 ( 3.106 3.640 -5.440) 7.245 2.688 ( -3.106 3.640 5.440) 7.245 2.904 ( 0.737 -1.023 -4.746) 4.910 2.904 ( -0.737 -1.023 4.746) 4.910 2.980 ( 5.783 -2.005 -7.132) 9.398 2.980 ( -5.783 -2.005 7.132) 9.398 3.079 ( -2.443 0.763 -1.641) 3.041 3.079 ( 2.443 0.763 1.641) 3.041 3.246 ( -4.974 -5.691 -2.206) 7.874 3.246 ( 4.974 -5.691 2.206) 7.874 3.388 ( -3.086 1.777 -3.735) 5.160 3.388 ( 3.086 1.777 3.735) 5.160 3.509 ( -1.744 -0.267 -3.152) 3.612 3.509 ( 1.744 -0.267 3.152) 3.612 3.636 ( 0.018 -1.463 -0.469) 1.537 3.636 ( -0.018 -1.463 0.469) 1.537 3.816 ( 0.050 3.224 -3.602) 4.834 3.816 ( -0.050 3.224 3.602) 4.834 3.924 ( 1.059 0.037 -2.580) 2.789 3.924 ( -1.059 0.037 2.580) 2.789 4.017 ( -4.861 3.243 -2.435) 6.331 4.017 ( 4.861 3.243 2.435) 6.331 4.431 ( -1.794 4.878 -2.185) 5.638 4.431 ( 1.794 4.878 2.185) 5.638 5.065 ( 2.570 -8.119 -3.727) 9.295 5.065 ( -2.570 -8.119 3.727) 9.295 5.305 ( -0.649 -1.415 -4.585) 4.842 5.305 ( 0.649 -1.415 4.585) 4.842 5.615 ( -9.112 -0.833 0.550) 9.167 5.615 ( 9.112 -0.833 -0.550) 9.167 6.858 ( -2.389 -0.744 -4.030) 4.743 6.858 ( 2.389 -0.744 4.030) 4.743 7.121 ( 0.696 -1.338 -6.517) 6.689 7.121 ( -0.696 -1.338 6.517) 6.689 7.374 ( -1.352 5.409 -2.528) 6.122 7.374 ( 1.352 5.409 2.528) 6.122 7.892 ( -2.960 -3.096 -2.194) 4.813 7.892 ( 2.960 -3.096 2.194) 4.813 17.612 ( -0.946 -0.399 -2.127) 2.361 17.612 ( 0.946 -0.399 2.127) 2.361 17.753 ( -1.879 4.130 -2.458) 5.161 17.753 ( 1.879 4.130 2.458) 5.161 18.720 ( -5.831 -0.846 -4.950) 7.696 18.720 ( 5.831 -0.846 4.950) 7.696 18.859 ( 1.645 -1.663 -7.356) 7.719 18.859 ( -1.645 -1.663 7.356) 7.719 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.284 2.207 -7.025) 7.369 0.966 ( 0.284 2.207 7.025) 7.369 0.998 ( -3.003 2.204 -6.698) 7.664 0.998 ( 3.003 2.204 6.698) 7.664 1.185 ( -0.571 -3.537 -2.405) 4.315 1.185 ( 0.571 -3.537 2.405) 4.315 1.335 ( -4.907 -6.674 -2.591) 8.679 1.335 ( 4.907 -6.674 2.591) 8.679 1.590 ( 0.741 -1.794 -1.598) 2.514 1.590 ( -0.741 -1.794 1.598) 2.514 1.954 ( 0.172 1.200 -0.848) 1.479 1.954 ( -0.172 1.200 0.848) 1.479 1.989 ( 0.511 0.132 -4.303) 4.335 1.989 ( -0.511 0.132 4.303) 4.335 2.024 ( 2.369 -0.870 -1.196) 2.793 2.024 ( -2.369 -0.870 1.196) 2.793 2.193 ( 1.182 6.021 -9.150) 11.017 2.193 ( -1.182 6.021 9.150) 11.017 2.310 ( 0.027 -0.454 -3.609) 3.638 2.310 ( -0.027 -0.454 3.609) 3.638 2.375 ( 1.653 6.055 -3.520) 7.197 2.375 ( -1.653 6.055 3.520) 7.197 2.551 ( -1.740 2.567 -1.538) 3.462 2.551 ( 1.740 2.567 1.538) 3.462 2.589 ( -1.399 -1.974 -0.960) 2.603 2.589 ( 1.399 -1.974 0.960) 2.603 2.661 ( 2.923 -4.333 -6.484) 8.328 2.661 ( -2.923 -4.333 6.484) 8.328 2.759 ( -2.272 -3.259 -0.906) 4.075 2.759 ( 2.272 -3.259 0.906) 4.075 2.878 ( 0.478 1.192 -2.390) 2.713 2.878 ( -0.478 1.192 2.390) 2.713 3.000 ( -1.731 -1.779 -0.864) 2.628 3.000 ( 1.731 -1.779 0.864) 2.628 3.220 ( -1.194 -1.088 -2.421) 2.911 3.220 ( 1.194 -1.088 2.421) 2.911 3.479 ( -0.222 1.806 -1.055) 2.104 3.479 ( 0.222 1.806 1.055) 2.104 3.546 ( -1.325 -0.816 -1.906) 2.461 3.546 ( 1.325 -0.816 1.906) 2.461 3.829 ( 0.163 0.137 -1.086) 1.106 3.829 ( -0.163 0.137 1.086) 1.106 3.911 ( -0.094 0.116 -0.309) 0.344 3.911 ( 0.094 0.116 0.309) 0.344 3.980 ( 0.204 1.688 -1.808) 2.482 3.980 ( -0.204 1.688 1.808) 2.482 4.302 ( -0.475 0.949 -1.137) 1.556 4.302 ( 0.475 0.949 1.137) 1.556 4.608 ( -1.823 0.393 -3.714) 4.156 4.608 ( 1.823 0.393 3.714) 4.156 4.882 ( 1.384 -1.337 -2.862) 3.449 4.882 ( -1.384 -1.337 2.862) 3.449 5.440 ( -0.925 12.895 -5.650) 14.109 5.440 ( 0.925 12.895 5.650) 14.109 5.915 ( 0.415 -12.948 -7.199) 14.820 5.915 ( -0.415 -12.948 7.199) 14.820 6.767 ( -1.482 -1.280 -1.172) 2.282 6.767 ( 1.482 -1.280 1.172) 2.282 7.028 ( -1.766 -1.195 -0.273) 2.150 7.028 ( 1.766 -1.195 0.273) 2.150 7.539 ( -0.496 1.525 -0.299) 1.631 7.539 ( 0.496 1.525 0.299) 1.631 7.995 ( -1.131 -0.097 -0.436) 1.216 7.995 ( 1.131 -0.097 0.436) 1.216 17.503 ( -0.604 0.370 -0.357) 0.793 17.503 ( 0.604 0.370 0.357) 0.793 17.677 ( -0.233 -0.397 -1.730) 1.790 17.677 ( 0.233 -0.397 1.730) 1.790 18.653 ( -2.270 1.772 -1.753) 3.371 18.653 ( 2.270 1.772 1.753) 3.371 18.859 ( -3.326 0.808 -0.970) 3.558 18.859 ( 3.326 0.808 0.970) 3.558 ======================= Grid point 147 (75/78) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -2.117 4.069 -11.165) 12.071 0.966 ( 5.162 7.572 -4.441) 10.184 0.992 ( -1.249 -7.512 -3.851) 8.534 1.096 ( 3.552 -2.869 8.846) 9.955 1.225 ( 4.489 -3.891 0.533) 5.965 1.240 ( 1.907 -4.623 3.406) 6.051 1.391 ( 8.381 3.418 5.628) 10.658 1.501 ( 6.480 -6.624 3.170) 9.794 1.580 ( 0.345 -1.549 -0.269) 1.609 1.586 ( 2.192 -1.891 -0.876) 3.025 1.923 ( -2.805 4.006 2.571) 5.525 1.936 ( -0.808 1.263 -2.701) 3.089 1.968 ( -3.083 -1.622 0.561) 3.528 2.011 ( -0.888 -2.874 1.781) 3.496 2.038 ( 2.419 0.308 0.668) 2.529 2.053 ( 0.838 -0.282 -0.529) 1.030 2.146 ( 2.594 5.855 -5.579) 8.493 2.217 ( -1.005 0.991 -0.960) 1.707 2.260 ( -1.559 2.883 0.073) 3.278 2.328 ( 0.922 -1.568 -1.243) 2.203 2.364 ( -0.705 5.355 -2.492) 5.948 2.436 ( 1.057 6.812 2.863) 7.464 2.498 ( -0.366 1.031 -3.541) 3.706 2.517 ( -1.385 1.725 0.195) 2.221 2.585 ( 0.541 1.580 -1.113) 2.007 2.608 ( 0.362 -4.909 -5.701) 7.532 2.643 ( 2.430 -0.740 -0.941) 2.708 2.692 ( 1.661 -5.474 5.630) 8.026 2.761 ( 0.541 -1.263 -0.800) 1.590 2.782 ( 1.496 -3.032 0.493) 3.417 2.877 ( -3.575 -0.063 0.801) 3.665 2.889 ( 0.120 0.653 0.511) 0.838 2.973 ( 0.107 0.086 2.494) 2.498 3.020 ( 3.076 -3.308 0.384) 4.533 3.244 ( 2.168 2.342 -0.014) 3.192 3.300 ( 2.680 -2.710 2.782) 4.719 3.433 ( -3.077 1.309 -2.031) 3.912 3.470 ( -0.272 -2.150 -2.356) 3.201 3.526 ( 0.915 2.489 0.581) 2.715 3.566 ( -0.436 -1.280 1.069) 1.723 3.797 ( -2.664 0.648 -0.264) 2.755 3.807 ( -2.322 -0.426 0.026) 2.361 3.894 ( -1.859 0.158 -0.061) 1.866 3.904 ( -0.957 -0.323 -0.072) 1.013 3.971 ( 0.453 2.834 -2.486) 3.797 3.987 ( -0.129 0.911 0.095) 0.925 4.249 ( -4.725 3.029 0.954) 5.693 4.296 ( -3.060 -1.350 2.971) 4.473 4.568 ( 0.260 5.926 -3.080) 6.684 4.685 ( 3.662 -4.985 2.405) 6.637 4.842 ( -3.375 2.567 1.971) 4.676 4.920 ( 1.212 -4.246 1.969) 4.835 5.338 ( -4.782 12.401 -4.797) 14.130 5.449 ( -3.747 7.848 3.908) 9.534 5.801 ( -5.984 -8.517 -5.707) 11.871 5.907 ( -5.209 -12.515 4.527) 14.292 6.756 ( 0.538 1.419 0.724) 1.681 6.819 ( 1.905 -4.033 2.447) 5.087 7.022 ( 1.349 2.051 -0.182) 2.462 7.087 ( 3.606 -4.497 -0.264) 5.770 7.499 ( -2.359 2.757 -1.436) 3.902 7.532 ( -0.645 -0.213 -1.614) 1.751 7.949 ( -3.550 2.533 -0.353) 4.376 7.999 ( -1.075 -2.076 0.374) 2.367 17.501 ( 0.582 1.161 0.777) 1.513 17.525 ( 1.165 -1.021 0.993) 1.839 17.695 ( 3.378 1.616 -1.863) 4.182 17.729 ( 3.824 -1.280 -0.024) 4.033 18.565 ( -3.092 3.573 -3.345) 5.789 18.626 ( -2.234 -2.163 -3.476) 4.664 18.869 ( 1.128 5.415 4.520) 7.143 18.952 ( 3.165 -2.612 2.762) 4.946 ======================= Grid point 148 (76/78) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.978 2.922 -9.491) 9.979 0.909 ( -2.293 -9.522 -4.658) 10.845 1.115 ( 11.237 7.345 -1.594) 13.519 1.236 ( 4.819 -3.921 5.902) 8.569 1.293 ( 2.778 0.395 -0.244) 2.816 1.356 ( 7.106 -4.564 1.100) 8.517 1.503 ( -0.191 -1.264 0.747) 1.480 1.533 ( 2.382 -3.970 -1.255) 4.796 1.694 ( 9.109 3.748 6.649) 11.884 1.763 ( 8.282 -2.265 6.770) 10.934 1.876 ( -3.979 2.404 1.812) 4.990 1.887 ( -4.517 1.292 -0.527) 4.728 1.896 ( -4.061 1.262 -0.377) 4.270 1.928 ( -5.044 -2.108 -1.465) 5.660 2.054 ( -2.990 -1.145 0.753) 3.289 2.079 ( 0.901 -2.133 0.357) 2.343 2.166 ( -1.345 1.219 1.523) 2.369 2.195 ( 2.052 -0.355 -0.783) 2.225 2.292 ( 3.304 3.082 -0.801) 4.589 2.322 ( 3.157 5.697 -6.617) 9.285 2.339 ( 2.046 0.697 -3.411) 4.038 2.419 ( 2.086 5.614 -6.263) 8.666 2.482 ( 2.746 -4.327 -2.170) 5.565 2.568 ( -0.923 -2.105 -1.465) 2.725 2.589 ( 2.140 4.632 0.938) 5.188 2.618 ( 3.861 -0.242 -2.559) 4.639 2.681 ( 2.069 -1.342 0.160) 2.471 2.738 ( -0.366 -3.524 2.732) 4.474 2.793 ( 1.644 -0.563 1.451) 2.264 2.823 ( 1.975 1.743 -1.171) 2.883 2.856 ( 2.448 -3.419 4.829) 6.403 2.883 ( 0.881 -2.768 -0.873) 3.034 3.014 ( 0.893 3.788 3.001) 4.915 3.085 ( 0.216 -2.323 3.691) 4.367 3.253 ( -0.109 2.984 0.210) 2.993 3.291 ( -4.276 1.603 -1.768) 4.897 3.384 ( -1.326 -1.470 2.392) 3.105 3.441 ( -1.649 -4.633 -2.384) 5.465 3.565 ( 0.405 0.643 -0.674) 1.016 3.571 ( 2.598 0.226 -1.037) 2.807 3.724 ( -4.691 0.795 -0.628) 4.800 3.746 ( -4.130 -1.366 -0.736) 4.412 3.858 ( -1.659 1.032 0.555) 2.031 3.879 ( -1.593 -0.737 0.548) 1.839 3.954 ( -0.285 2.692 -2.083) 3.415 3.973 ( -0.837 0.773 -1.097) 1.581 4.157 ( -5.763 4.878 1.743) 7.748 4.241 ( -5.330 -2.929 3.796) 7.169 4.555 ( 0.300 8.839 -2.806) 9.279 4.732 ( -2.516 -5.499 -0.713) 6.089 4.808 ( 0.435 3.889 3.018) 4.941 4.938 ( -2.888 -5.348 5.107) 7.938 5.240 ( -1.105 6.750 -3.174) 7.541 5.377 ( -4.903 -1.695 0.035) 5.188 5.652 ( -4.935 1.023 -4.129) 6.515 5.814 ( -7.077 -10.101 2.553) 12.595 6.782 ( 0.828 2.153 1.767) 2.906 6.863 ( 0.665 -5.009 2.842) 5.798 7.059 ( 2.452 2.833 -1.166) 3.924 7.129 ( 1.334 -4.213 -1.972) 4.839 7.451 ( -1.375 3.726 -0.662) 4.026 7.512 ( 0.112 -1.640 -1.186) 2.027 7.866 ( -4.353 4.610 -0.683) 6.378 7.959 ( -2.982 -3.817 -0.635) 4.886 17.535 ( 1.628 1.365 2.185) 3.048 17.567 ( 1.659 -1.559 2.801) 3.610 17.746 ( 3.775 3.552 -3.675) 6.354 17.800 ( 4.285 -1.261 -2.317) 5.032 18.529 ( 0.803 2.962 0.436) 3.100 18.596 ( 0.961 -3.307 0.450) 3.473 18.901 ( -0.891 4.548 2.010) 5.051 18.984 ( -1.347 -3.020 0.692) 3.378 ======================= Grid point 149 (77/78) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 2.930 -0.107 -5.211) 5.979 0.842 ( -1.977 -8.209 -2.907) 8.930 1.309 ( 5.006 0.514 0.232) 5.037 1.331 ( 2.821 0.524 -0.958) 3.025 1.344 ( 8.060 3.932 -1.052) 9.029 1.479 ( 5.556 -4.405 -0.257) 7.095 1.528 ( 2.442 -0.316 1.138) 2.713 1.593 ( 3.679 -5.891 -0.139) 6.947 1.721 ( -8.648 6.223 3.316) 11.158 1.754 ( -6.966 3.703 0.163) 7.891 1.811 ( -4.574 -1.823 -0.448) 4.944 1.859 ( -2.662 -5.471 3.361) 6.951 1.949 ( 5.623 1.820 9.038) 10.799 1.957 ( -2.246 0.809 -1.859) 3.025 1.992 ( 6.064 -1.548 2.345) 6.684 2.052 ( -1.234 -6.634 -0.075) 6.748 2.196 ( 2.083 3.027 2.574) 4.486 2.211 ( 0.961 0.880 -3.160) 3.418 2.305 ( -0.231 0.766 -3.273) 3.369 2.332 ( -0.498 -0.082 -3.116) 3.156 2.389 ( 4.698 7.547 -4.093) 9.787 2.460 ( 8.132 5.827 -6.270) 11.806 2.517 ( -2.593 -1.180 0.661) 2.924 2.584 ( 4.450 0.199 3.879) 5.907 2.637 ( 2.425 1.730 -0.842) 3.096 2.674 ( -0.483 -0.610 -0.793) 1.111 2.687 ( 4.984 -2.453 -4.894) 7.404 2.735 ( 2.613 -3.757 -0.128) 4.578 2.849 ( 1.453 3.017 -1.431) 3.642 2.901 ( 2.617 -1.843 4.339) 5.392 2.906 ( 0.988 -1.423 2.568) 3.097 2.933 ( -0.135 -1.305 4.311) 4.506 3.029 ( 0.270 2.509 0.844) 2.661 3.084 ( -1.918 -2.334 2.108) 3.684 3.165 ( -4.428 4.797 -1.699) 6.745 3.259 ( -2.276 -2.917 -2.596) 4.520 3.371 ( -0.551 0.394 1.992) 2.104 3.422 ( 0.299 -3.300 4.145) 5.307 3.536 ( -2.471 2.257 -2.431) 4.136 3.577 ( -0.943 -1.292 -3.384) 3.743 3.635 ( -3.035 0.382 -1.130) 3.261 3.655 ( -3.652 -1.645 -1.161) 4.170 3.843 ( -1.053 1.274 1.083) 1.976 3.861 ( -1.141 -0.589 0.815) 1.521 3.942 ( 0.064 1.751 -0.294) 1.776 3.953 ( -0.395 0.665 -0.652) 1.011 4.082 ( -2.817 5.825 1.574) 6.659 4.163 ( -4.697 -1.448 1.101) 5.037 4.539 ( 0.270 8.367 -1.839) 8.571 4.634 ( -5.435 2.753 -0.379) 6.104 4.854 ( 1.385 -5.581 0.825) 5.810 4.896 ( -4.082 -6.211 3.993) 8.437 5.251 ( 2.133 0.376 0.067) 2.167 5.300 ( -1.894 -3.517 -1.845) 4.401 5.576 ( -0.709 4.378 -1.938) 4.840 5.697 ( -6.280 -6.226 0.068) 8.843 6.811 ( 0.782 1.950 2.272) 3.094 6.878 ( -0.932 -4.029 1.159) 4.295 7.079 ( 1.036 1.522 -1.645) 2.469 7.119 ( -0.076 -2.179 -2.512) 3.327 7.449 ( 0.886 4.889 1.286) 5.133 7.513 ( 0.068 0.113 -0.707) 0.719 7.804 ( -1.507 2.077 0.136) 2.569 7.888 ( -3.540 -4.611 -1.503) 6.004 17.581 ( 1.266 1.232 2.344) 2.935 17.610 ( 0.335 -1.382 2.435) 2.820 17.785 ( 3.456 4.374 -3.038) 6.349 17.838 ( 1.915 -0.301 -3.231) 3.768 18.597 ( 4.252 2.106 3.865) 6.120 18.662 ( 3.470 -4.041 3.845) 6.570 18.863 ( -2.942 2.429 -2.013) 4.313 18.920 ( -4.731 -2.498 -1.404) 5.532 ======================= Grid point 150 (78/78) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -2.760 -4.526 0.521) 5.326 0.787 ( 2.760 -4.526 -0.521) 5.326 1.342 ( 1.472 -0.102 -2.339) 2.765 1.342 ( -1.472 -0.102 2.339) 2.765 1.510 ( -3.659 1.553 -2.176) 4.532 1.510 ( 3.659 1.553 2.176) 4.532 1.591 ( -1.056 -2.643 -1.818) 3.377 1.591 ( 1.056 -2.643 1.818) 3.377 1.654 ( 0.362 5.395 -2.839) 6.107 1.654 ( -0.362 5.395 2.839) 6.107 1.791 ( 0.432 -6.757 -3.658) 7.696 1.791 ( -0.432 -6.757 3.658) 7.696 1.953 ( -2.284 -2.394 -2.607) 4.212 1.953 ( 2.284 -2.394 2.607) 4.212 2.111 ( -1.872 1.294 -5.910) 6.333 2.111 ( 1.872 1.294 5.910) 6.333 2.226 ( -4.050 0.335 -3.347) 5.265 2.226 ( 4.050 0.335 3.347) 5.265 2.267 ( -3.228 2.069 -1.057) 3.977 2.267 ( 3.228 2.069 1.057) 3.977 2.449 ( 3.749 1.725 -1.675) 4.454 2.449 ( -3.749 1.725 1.675) 4.454 2.592 ( 4.332 3.490 -4.112) 6.918 2.592 ( -4.332 3.490 4.112) 6.918 2.664 ( -0.238 0.630 -2.615) 2.701 2.664 ( 0.238 0.630 2.615) 2.701 2.781 ( -1.518 2.607 -0.638) 3.083 2.781 ( 1.518 2.607 0.638) 3.083 2.857 ( -2.816 -0.505 -0.664) 2.937 2.857 ( 2.816 -0.505 0.664) 2.937 2.922 ( 1.846 -3.463 -3.477) 5.243 2.922 ( -1.846 -3.463 3.477) 5.243 3.103 ( -2.846 0.579 -3.022) 4.191 3.103 ( 2.846 0.579 3.022) 4.191 3.132 ( -5.910 -3.547 -2.335) 7.278 3.132 ( 5.910 -3.547 2.335) 7.278 3.434 ( -2.938 1.751 -4.012) 5.272 3.434 ( 2.938 1.751 4.012) 5.272 3.500 ( -2.348 -0.435 -3.888) 4.563 3.500 ( 2.348 -0.435 3.888) 4.563 3.616 ( -0.331 -0.519 -0.499) 0.793 3.616 ( 0.331 -0.519 0.499) 0.793 3.839 ( -0.330 -0.130 -1.223) 1.274 3.839 ( 0.330 -0.130 1.223) 1.274 3.946 ( 0.111 1.255 -0.634) 1.410 3.946 ( -0.111 1.255 0.634) 1.410 4.093 ( -2.220 2.817 -1.357) 3.834 4.093 ( 2.220 2.817 1.357) 3.834 4.555 ( 0.421 5.998 -2.331) 6.449 4.555 ( -0.421 5.998 2.331) 6.449 4.869 ( 1.382 -8.577 -2.608) 9.071 4.869 ( -1.382 -8.577 2.608) 9.071 5.278 ( 0.252 -0.838 -1.681) 1.895 5.278 ( -0.252 -0.838 1.681) 1.895 5.598 ( -3.694 -0.569 -0.047) 3.738 5.598 ( 3.694 -0.569 0.047) 3.738 6.849 ( -1.347 -0.166 -1.910) 2.343 6.849 ( 1.347 -0.166 1.910) 2.343 7.094 ( 0.090 -0.919 -2.506) 2.670 7.094 ( -0.090 -0.919 2.506) 2.670 7.488 ( -1.228 4.152 -1.955) 4.751 7.488 ( 1.228 4.152 1.955) 4.751 7.819 ( -2.057 -2.964 -1.548) 3.926 7.819 ( 2.057 -2.964 1.548) 3.926 17.612 ( -0.432 0.161 -0.815) 0.936 17.612 ( 0.432 0.161 0.815) 0.936 17.826 ( -1.147 2.181 -1.127) 2.710 17.826 ( 1.147 2.181 1.127) 2.710 18.708 ( -2.985 -0.215 -1.814) 3.500 18.708 ( 2.985 -0.215 1.814) 3.500 18.822 ( -0.363 -1.399 -2.794) 3.146 18.822 ( 0.363 -1.399 2.794) 3.146 =================== 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 3/17280 10.0 94.134 103.397 127.146 0.000 15.689 0.000 3/17280 20.0 18.003 18.519 23.256 0.000 2.851 0.000 3/17280 30.0 7.953 7.995 10.051 0.000 1.187 0.000 3/17280 40.0 4.830 4.786 6.039 0.000 0.677 0.000 3/17280 50.0 3.426 3.360 4.253 0.000 0.456 0.000 3/17280 60.0 2.650 2.580 3.272 0.000 0.339 0.000 3/17280 70.0 2.163 2.094 2.660 0.000 0.269 0.000 3/17280 80.0 1.830 1.765 2.242 0.000 0.223 0.000 3/17280 90.0 1.588 1.527 1.940 0.000 0.190 0.000 3/17280 100.0 1.405 1.348 1.712 0.000 0.166 0.000 3/17280 110.0 1.261 1.207 1.533 0.000 0.148 0.000 3/17280 120.0 1.145 1.094 1.389 0.000 0.133 0.000 3/17280 130.0 1.049 1.002 1.272 0.000 0.122 0.000 3/17280 140.0 0.970 0.925 1.173 0.000 0.112 0.000 3/17280 150.0 0.902 0.859 1.090 0.000 0.104 0.000 3/17280 160.0 0.844 0.803 1.018 0.000 0.097 0.000 3/17280 170.0 0.793 0.754 0.955 0.000 0.091 0.000 3/17280 180.0 0.749 0.711 0.901 0.000 0.086 0.000 3/17280 190.0 0.709 0.672 0.852 0.000 0.081 0.000 3/17280 200.0 0.674 0.639 0.809 0.000 0.077 0.000 3/17280 210.0 0.643 0.608 0.771 0.000 0.074 0.000 3/17280 220.0 0.614 0.581 0.736 0.000 0.070 0.000 3/17280 230.0 0.589 0.555 0.704 0.000 0.068 0.000 3/17280 240.0 0.565 0.533 0.675 0.000 0.065 0.000 3/17280 250.0 0.543 0.512 0.648 0.000 0.062 0.000 3/17280 260.0 0.523 0.492 0.624 0.000 0.060 0.000 3/17280 270.0 0.505 0.475 0.601 0.000 0.058 0.000 3/17280 280.0 0.488 0.458 0.580 0.000 0.056 0.000 3/17280 290.0 0.472 0.443 0.561 0.000 0.054 0.000 3/17280 300.0 0.457 0.428 0.543 0.000 0.053 0.000 3/17280 310.0 0.443 0.415 0.526 0.000 0.051 0.000 3/17280 320.0 0.430 0.402 0.510 0.000 0.050 0.000 3/17280 330.0 0.417 0.390 0.495 0.000 0.048 0.000 3/17280 340.0 0.406 0.379 0.481 0.000 0.047 0.000 3/17280 350.0 0.395 0.369 0.467 0.000 0.046 0.000 3/17280 360.0 0.384 0.359 0.455 0.000 0.045 0.000 3/17280 370.0 0.374 0.349 0.443 0.000 0.044 0.000 3/17280 380.0 0.365 0.340 0.432 0.000 0.043 0.000 3/17280 390.0 0.356 0.332 0.421 0.000 0.042 0.000 3/17280 400.0 0.348 0.324 0.411 0.000 0.041 0.000 3/17280 410.0 0.340 0.316 0.401 0.000 0.040 0.000 3/17280 420.0 0.332 0.309 0.392 0.000 0.039 0.000 3/17280 430.0 0.324 0.302 0.383 0.000 0.038 0.000 3/17280 440.0 0.317 0.295 0.374 0.000 0.037 0.000 3/17280 450.0 0.311 0.289 0.366 0.000 0.036 0.000 3/17280 460.0 0.304 0.283 0.359 0.000 0.036 0.000 3/17280 470.0 0.298 0.277 0.351 0.000 0.035 0.000 3/17280 480.0 0.292 0.271 0.344 0.000 0.034 0.000 3/17280 490.0 0.286 0.266 0.337 0.000 0.034 0.000 3/17280 500.0 0.281 0.261 0.331 0.000 0.033 0.000 3/17280 510.0 0.276 0.256 0.324 0.000 0.032 0.000 3/17280 520.0 0.271 0.251 0.318 0.000 0.032 0.000 3/17280 530.0 0.266 0.246 0.313 0.000 0.031 0.000 3/17280 540.0 0.261 0.242 0.307 0.000 0.031 0.000 3/17280 550.0 0.256 0.238 0.301 0.000 0.030 0.000 3/17280 560.0 0.252 0.233 0.296 0.000 0.030 0.000 3/17280 570.0 0.248 0.229 0.291 0.000 0.029 0.000 3/17280 580.0 0.244 0.226 0.286 0.000 0.029 0.000 3/17280 590.0 0.240 0.222 0.281 0.000 0.028 0.000 3/17280 600.0 0.236 0.218 0.277 0.000 0.028 0.000 3/17280 610.0 0.232 0.215 0.272 0.000 0.028 0.000 3/17280 620.0 0.228 0.211 0.268 0.000 0.027 0.000 3/17280 630.0 0.225 0.208 0.264 0.000 0.027 0.000 3/17280 640.0 0.222 0.205 0.260 0.000 0.026 0.000 3/17280 650.0 0.218 0.202 0.256 0.000 0.026 0.000 3/17280 660.0 0.215 0.199 0.252 0.000 0.026 0.000 3/17280 670.0 0.212 0.196 0.249 0.000 0.025 0.000 3/17280 680.0 0.209 0.193 0.245 0.000 0.025 0.000 3/17280 690.0 0.206 0.190 0.242 0.000 0.025 0.000 3/17280 700.0 0.203 0.188 0.238 0.000 0.024 0.000 3/17280 710.0 0.200 0.185 0.235 0.000 0.024 0.000 3/17280 720.0 0.198 0.182 0.232 0.000 0.024 0.000 3/17280 730.0 0.195 0.180 0.229 0.000 0.023 0.000 3/17280 740.0 0.192 0.178 0.226 0.000 0.023 0.000 3/17280 750.0 0.190 0.175 0.223 0.000 0.023 0.000 3/17280 760.0 0.187 0.173 0.220 0.000 0.022 0.000 3/17280 770.0 0.185 0.171 0.217 0.000 0.022 0.000 3/17280 780.0 0.183 0.169 0.214 0.000 0.022 0.000 3/17280 790.0 0.181 0.167 0.211 0.000 0.022 0.000 3/17280 800.0 0.178 0.165 0.209 0.000 0.021 0.000 3/17280 810.0 0.176 0.163 0.206 0.000 0.021 0.000 3/17280 820.0 0.174 0.161 0.204 0.000 0.021 0.000 3/17280 830.0 0.172 0.159 0.201 0.000 0.021 0.000 3/17280 840.0 0.170 0.157 0.199 0.000 0.020 0.000 3/17280 850.0 0.168 0.155 0.197 0.000 0.020 0.000 3/17280 860.0 0.166 0.153 0.195 0.000 0.020 0.000 3/17280 870.0 0.164 0.151 0.192 0.000 0.020 0.000 3/17280 880.0 0.162 0.150 0.190 0.000 0.019 0.000 3/17280 890.0 0.161 0.148 0.188 0.000 0.019 0.000 3/17280 900.0 0.159 0.146 0.186 0.000 0.019 0.000 3/17280 910.0 0.157 0.145 0.184 0.000 0.019 0.000 3/17280 920.0 0.156 0.143 0.182 0.000 0.019 0.000 3/17280 930.0 0.154 0.142 0.180 0.000 0.018 0.000 3/17280 940.0 0.152 0.140 0.178 0.000 0.018 0.000 3/17280 950.0 0.151 0.139 0.176 0.000 0.018 0.000 3/17280 960.0 0.149 0.137 0.175 0.000 0.018 0.000 3/17280 970.0 0.148 0.136 0.173 0.000 0.018 0.000 3/17280 980.0 0.146 0.135 0.171 0.000 0.018 0.000 3/17280 990.0 0.145 0.133 0.169 0.000 0.017 0.000 3/17280 1000.0 0.143 0.132 0.168 0.000 0.017 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m856.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:25:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|