----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:58:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.058832120000001 -4.054405655000000 0.000000000000000 b 5.058832120000001 4.054405655000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): *1 Si 0.82044719839118 0.92590951448990 0.72379683670274 28.085 2 Si 0.67955280160882 0.57409048551010 0.22379683670274 28.085 3 Si 0.57409048551010 0.67955280160882 0.77620316329726 28.085 4 Si 0.92590951448990 0.82044719839118 0.27620316329726 28.085 5 Si 0.17955280160882 0.07409048551010 0.27620316329726 28.085 6 Si 0.32044719839118 0.42590951448990 0.77620316329726 28.085 7 Si 0.42590951448990 0.32044719839118 0.22379683670274 28.085 8 Si 0.07409048551010 0.17955280160882 0.72379683670274 28.085 *9 Si 0.14925104766662 0.59384311475042 0.05902030747061 28.085 10 Si 0.35074895233338 0.90615688524957 0.55902030747061 28.085 11 Si 0.90615688524957 0.35074895233338 0.44097969252939 28.085 12 Si 0.59384311475042 0.14925104766662 0.94097969252939 28.085 13 Si 0.85074895233338 0.40615688524957 0.94097969252939 28.085 14 Si 0.64925104766662 0.09384311475042 0.44097969252939 28.085 15 Si 0.09384311475043 0.64925104766662 0.55902030747061 28.085 16 Si 0.40615688524957 0.85074895233338 0.05902030747061 28.085 *17 Os 0.18787634544103 0.81212365455897 0.81843378751039 190.230 18 Os 0.31212365455897 0.68787634544103 0.31843378751039 190.230 19 Os 0.68787634544103 0.31212365455897 0.68156621248961 190.230 20 Os 0.81212365455897 0.18787634544103 0.18156621248961 190.230 *21 Os 0.71465498952618 0.71465498952618 0.50000000000000 190.230 22 Os 0.78534501047382 0.78534501047382 0.00000000000000 190.230 23 Os 0.28534501047382 0.28534501047382 0.50000000000000 190.230 24 Os 0.21465498952618 0.21465498952618 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.117664240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.108811310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): *1 Si 0.87317835644054 0.05273115804936 0.72379683670274 28.085 > 1 2 Si 0.62682164355946 0.94726884195064 0.22379683670274 28.085 > 2 3 Si 0.62682164355946 0.05273115804936 0.77620316329726 28.085 > 3 4 Si 0.87317835644054 0.94726884195064 0.27620316329726 28.085 > 4 5 Si 0.12682164355946 0.94726884195064 0.27620316329726 28.085 > 5 6 Si 0.37317835644054 0.05273115804936 0.77620316329726 28.085 > 6 7 Si 0.37317835644054 0.94726884195064 0.22379683670274 28.085 > 7 8 Si 0.12682164355946 0.05273115804936 0.72379683670274 28.085 > 8 *9 Si 0.37154708120852 0.22229603354190 0.05902030747061 28.085 > 9 10 Si 0.62845291879148 0.27770396645810 0.55902030747061 28.085 > 10 11 Si 0.62845291879148 0.72229603354190 0.44097969252939 28.085 > 11 12 Si 0.37154708120852 0.77770396645810 0.94097969252939 28.085 > 12 13 Si 0.62845291879148 0.77770396645810 0.94097969252939 28.085 > 13 14 Si 0.37154708120852 0.72229603354190 0.44097969252939 28.085 > 14 15 Si 0.37154708120852 0.27770396645810 0.55902030747061 28.085 > 15 16 Si 0.62845291879148 0.22229603354190 0.05902030747061 28.085 > 16 17 Si 0.37317835644054 0.55273115804936 0.72379683670274 28.085 > 1 18 Si 0.12682164355946 0.44726884195064 0.22379683670274 28.085 > 2 19 Si 0.12682164355946 0.55273115804936 0.77620316329726 28.085 > 3 20 Si 0.37317835644054 0.44726884195064 0.27620316329726 28.085 > 4 21 Si 0.62682164355946 0.44726884195064 0.27620316329726 28.085 > 5 22 Si 0.87317835644054 0.55273115804936 0.77620316329726 28.085 > 6 23 Si 0.87317835644054 0.44726884195064 0.22379683670274 28.085 > 7 24 Si 0.62682164355946 0.55273115804936 0.72379683670274 28.085 > 8 25 Si 0.87154708120852 0.72229603354190 0.05902030747061 28.085 > 9 26 Si 0.12845291879148 0.77770396645810 0.55902030747061 28.085 > 10 27 Si 0.12845291879148 0.22229603354190 0.44097969252939 28.085 > 11 28 Si 0.87154708120852 0.27770396645810 0.94097969252939 28.085 > 12 29 Si 0.12845291879148 0.27770396645810 0.94097969252939 28.085 > 13 30 Si 0.87154708120852 0.22229603354190 0.44097969252939 28.085 > 14 31 Si 0.87154708120852 0.77770396645810 0.55902030747061 28.085 > 15 32 Si 0.12845291879148 0.72229603354190 0.05902030747061 28.085 > 16 *33 Os 0.50000000000000 0.31212365455897 0.81843378751039 190.230 > 17 34 Os 0.50000000000000 0.18787634544103 0.31843378751039 190.230 > 18 35 Os 0.50000000000000 0.81212365455897 0.68156621248961 190.230 > 19 36 Os 0.50000000000000 0.68787634544103 0.18156621248961 190.230 > 20 *37 Os 0.71465498952618 0.00000000000000 0.50000000000000 190.230 > 21 38 Os 0.78534501047382 0.00000000000000 0.00000000000000 190.230 > 22 39 Os 0.28534501047382 0.00000000000000 0.50000000000000 190.230 > 23 40 Os 0.21465498952618 0.00000000000000 0.00000000000000 190.230 > 24 41 Os 0.00000000000000 0.81212365455897 0.81843378751039 190.230 > 17 42 Os 0.00000000000000 0.68787634544103 0.31843378751039 190.230 > 18 43 Os 0.00000000000000 0.31212365455897 0.68156621248961 190.230 > 19 44 Os 0.00000000000000 0.18787634544103 0.18156621248961 190.230 > 20 45 Os 0.21465498952618 0.50000000000000 0.50000000000000 190.230 > 21 46 Os 0.28534501047382 0.50000000000000 0.00000000000000 190.230 > 22 47 Os 0.78534501047382 0.50000000000000 0.50000000000000 190.230 > 23 48 Os 0.71465498952618 0.50000000000000 0.00000000000000 190.230 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.117664240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 16.217622620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): *1 Si 0.87317835644054 0.02636557902468 0.72379683670274 28.085 > 1 2 Si 0.87317835644054 0.52636557902468 0.72379683670274 28.085 > 1 3 Si 0.62682164355946 0.47363442097532 0.22379683670274 28.085 > 2 4 Si 0.62682164355946 0.97363442097532 0.22379683670274 28.085 > 2 5 Si 0.62682164355946 0.02636557902468 0.77620316329726 28.085 > 3 6 Si 0.62682164355946 0.52636557902468 0.77620316329726 28.085 > 3 7 Si 0.87317835644054 0.47363442097532 0.27620316329726 28.085 > 4 8 Si 0.87317835644054 0.97363442097532 0.27620316329726 28.085 > 4 9 Si 0.12682164355946 0.47363442097532 0.27620316329726 28.085 > 5 10 Si 0.12682164355946 0.97363442097532 0.27620316329726 28.085 > 5 11 Si 0.37317835644054 0.02636557902468 0.77620316329726 28.085 > 6 12 Si 0.37317835644054 0.52636557902468 0.77620316329726 28.085 > 6 13 Si 0.37317835644054 0.47363442097532 0.22379683670274 28.085 > 7 14 Si 0.37317835644054 0.97363442097532 0.22379683670274 28.085 > 7 15 Si 0.12682164355946 0.02636557902468 0.72379683670274 28.085 > 8 16 Si 0.12682164355946 0.52636557902468 0.72379683670274 28.085 > 8 *17 Si 0.37154708120852 0.11114801677095 0.05902030747061 28.085 > 9 18 Si 0.37154708120852 0.61114801677095 0.05902030747061 28.085 > 9 19 Si 0.62845291879148 0.13885198322905 0.55902030747061 28.085 > 10 20 Si 0.62845291879148 0.63885198322905 0.55902030747061 28.085 > 10 21 Si 0.62845291879148 0.36114801677095 0.44097969252939 28.085 > 11 22 Si 0.62845291879148 0.86114801677095 0.44097969252939 28.085 > 11 23 Si 0.37154708120852 0.38885198322905 0.94097969252939 28.085 > 12 24 Si 0.37154708120852 0.88885198322905 0.94097969252939 28.085 > 12 25 Si 0.62845291879148 0.38885198322905 0.94097969252939 28.085 > 13 26 Si 0.62845291879148 0.88885198322905 0.94097969252939 28.085 > 13 27 Si 0.37154708120852 0.36114801677095 0.44097969252939 28.085 > 14 28 Si 0.37154708120852 0.86114801677095 0.44097969252939 28.085 > 14 29 Si 0.37154708120852 0.13885198322905 0.55902030747061 28.085 > 15 30 Si 0.37154708120852 0.63885198322905 0.55902030747061 28.085 > 15 31 Si 0.62845291879148 0.11114801677095 0.05902030747061 28.085 > 16 32 Si 0.62845291879148 0.61114801677095 0.05902030747061 28.085 > 16 33 Si 0.37317835644054 0.27636557902468 0.72379683670274 28.085 > 1 34 Si 0.37317835644054 0.77636557902468 0.72379683670274 28.085 > 1 35 Si 0.12682164355946 0.22363442097532 0.22379683670274 28.085 > 2 36 Si 0.12682164355946 0.72363442097532 0.22379683670274 28.085 > 2 37 Si 0.12682164355946 0.27636557902468 0.77620316329726 28.085 > 3 38 Si 0.12682164355946 0.77636557902468 0.77620316329726 28.085 > 3 39 Si 0.37317835644054 0.22363442097532 0.27620316329726 28.085 > 4 40 Si 0.37317835644054 0.72363442097532 0.27620316329726 28.085 > 4 41 Si 0.62682164355946 0.22363442097532 0.27620316329726 28.085 > 5 42 Si 0.62682164355946 0.72363442097532 0.27620316329726 28.085 > 5 43 Si 0.87317835644054 0.27636557902468 0.77620316329726 28.085 > 6 44 Si 0.87317835644054 0.77636557902468 0.77620316329726 28.085 > 6 45 Si 0.87317835644054 0.22363442097532 0.22379683670274 28.085 > 7 46 Si 0.87317835644054 0.72363442097532 0.22379683670274 28.085 > 7 47 Si 0.62682164355946 0.27636557902468 0.72379683670274 28.085 > 8 48 Si 0.62682164355946 0.77636557902468 0.72379683670274 28.085 > 8 49 Si 0.87154708120852 0.36114801677095 0.05902030747061 28.085 > 9 50 Si 0.87154708120852 0.86114801677095 0.05902030747061 28.085 > 9 51 Si 0.12845291879148 0.38885198322905 0.55902030747061 28.085 > 10 52 Si 0.12845291879148 0.88885198322905 0.55902030747061 28.085 > 10 53 Si 0.12845291879148 0.11114801677095 0.44097969252939 28.085 > 11 54 Si 0.12845291879148 0.61114801677095 0.44097969252939 28.085 > 11 55 Si 0.87154708120852 0.13885198322905 0.94097969252939 28.085 > 12 56 Si 0.87154708120852 0.63885198322905 0.94097969252939 28.085 > 12 57 Si 0.12845291879148 0.13885198322905 0.94097969252939 28.085 > 13 58 Si 0.12845291879148 0.63885198322905 0.94097969252939 28.085 > 13 59 Si 0.87154708120852 0.11114801677095 0.44097969252939 28.085 > 14 60 Si 0.87154708120852 0.61114801677095 0.44097969252939 28.085 > 14 61 Si 0.87154708120852 0.38885198322905 0.55902030747061 28.085 > 15 62 Si 0.87154708120852 0.88885198322905 0.55902030747061 28.085 > 15 63 Si 0.12845291879148 0.36114801677095 0.05902030747061 28.085 > 16 64 Si 0.12845291879148 0.86114801677095 0.05902030747061 28.085 > 16 *65 Os 0.50000000000000 0.15606182727949 0.81843378751039 190.230 > 17 66 Os 0.50000000000000 0.65606182727949 0.81843378751039 190.230 > 17 67 Os 0.50000000000000 0.09393817272051 0.31843378751039 190.230 > 18 68 Os 0.50000000000000 0.59393817272051 0.31843378751039 190.230 > 18 69 Os 0.50000000000000 0.40606182727948 0.68156621248961 190.230 > 19 70 Os 0.50000000000000 0.90606182727948 0.68156621248961 190.230 > 19 71 Os 0.50000000000000 0.34393817272052 0.18156621248961 190.230 > 20 72 Os 0.50000000000000 0.84393817272052 0.18156621248961 190.230 > 20 *73 Os 0.71465498952618 0.00000000000000 0.50000000000000 190.230 > 21 74 Os 0.71465498952618 0.50000000000000 0.50000000000000 190.230 > 21 75 Os 0.78534501047382 0.00000000000000 0.00000000000000 190.230 > 22 76 Os 0.78534501047382 0.50000000000000 0.00000000000000 190.230 > 22 77 Os 0.28534501047382 0.00000000000000 0.50000000000000 190.230 > 23 78 Os 0.28534501047382 0.50000000000000 0.50000000000000 190.230 > 23 79 Os 0.21465498952618 0.00000000000000 0.00000000000000 190.230 > 24 80 Os 0.21465498952618 0.50000000000000 0.00000000000000 190.230 > 24 81 Os 0.00000000000000 0.40606182727948 0.81843378751039 190.230 > 17 82 Os 0.00000000000000 0.90606182727948 0.81843378751039 190.230 > 17 83 Os 0.00000000000000 0.34393817272052 0.31843378751039 190.230 > 18 84 Os 0.00000000000000 0.84393817272052 0.31843378751039 190.230 > 18 85 Os 0.00000000000000 0.15606182727949 0.68156621248961 190.230 > 19 86 Os 0.00000000000000 0.65606182727949 0.68156621248961 190.230 > 19 87 Os 0.00000000000000 0.09393817272051 0.18156621248961 190.230 > 20 88 Os 0.00000000000000 0.59393817272051 0.18156621248961 190.230 > 20 89 Os 0.21465498952618 0.25000000000000 0.50000000000000 190.230 > 21 90 Os 0.21465498952618 0.75000000000000 0.50000000000000 190.230 > 21 91 Os 0.28534501047382 0.25000000000000 0.00000000000000 190.230 > 22 92 Os 0.28534501047382 0.75000000000000 0.00000000000000 190.230 > 22 93 Os 0.78534501047382 0.25000000000000 0.50000000000000 190.230 > 23 94 Os 0.78534501047382 0.75000000000000 0.50000000000000 190.230 > 23 95 Os 0.71465498952618 0.25000000000000 0.00000000000000 190.230 > 24 96 Os 0.71465498952618 0.75000000000000 0.00000000000000 190.230 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.0028530 0.0000000 0.0000000 0.0000000 17.2845002 0.0000000 0.0000000 0.0000000 16.9401030 -------------------------- Born effective charges -------------------------- 1 Si 3.3017720 0.1178681 -0.0612151 0.0473792 3.5308991 -0.3167594 0.3292733 0.0537009 3.5662640 2 Si 3.3017720 0.1178681 0.0612151 0.0473792 3.5308991 0.3167594 -0.3292733 -0.0537009 3.5662640 3 Si 3.3017720 -0.1178681 -0.0612151 -0.0473792 3.5308991 0.3167594 0.3292733 -0.0537009 3.5662640 4 Si 3.3017720 -0.1178681 0.0612151 -0.0473792 3.5308991 -0.3167594 -0.3292733 0.0537009 3.5662640 5 Si 3.3017720 0.1178681 -0.0612151 0.0473792 3.5308991 -0.3167594 0.3292733 0.0537009 3.5662640 6 Si 3.3017720 0.1178681 0.0612151 0.0473792 3.5308991 0.3167594 -0.3292733 -0.0537009 3.5662640 7 Si 3.3017720 -0.1178681 -0.0612151 -0.0473792 3.5308991 0.3167594 0.3292733 -0.0537009 3.5662640 8 Si 3.3017720 -0.1178681 0.0612151 -0.0473792 3.5308991 -0.3167594 -0.3292733 0.0537009 3.5662640 9 Si 3.1983775 -0.2421468 0.2261047 0.2026627 3.5969197 -0.2221513 -0.1264257 -0.2984974 3.6733456 10 Si 3.1983775 -0.2421468 -0.2261047 0.2026627 3.5969197 0.2221513 0.1264257 0.2984974 3.6733456 11 Si 3.1983775 0.2421468 0.2261047 -0.2026627 3.5969197 0.2221513 -0.1264257 0.2984974 3.6733456 12 Si 3.1983775 0.2421468 -0.2261047 -0.2026627 3.5969197 -0.2221513 0.1264257 -0.2984974 3.6733456 13 Si 3.1983775 -0.2421468 0.2261047 0.2026627 3.5969197 -0.2221513 -0.1264257 -0.2984974 3.6733456 14 Si 3.1983775 -0.2421468 -0.2261047 0.2026627 3.5969197 0.2221513 0.1264257 0.2984974 3.6733456 15 Si 3.1983775 0.2421468 0.2261047 -0.2026627 3.5969197 0.2221513 -0.1264257 0.2984974 3.6733456 16 Si 3.1983775 0.2421468 -0.2261047 -0.2026627 3.5969197 -0.2221513 0.1264257 -0.2984974 3.6733456 17 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 -0.5848839 0.0000000 -0.4451608 -7.4279996 18 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 0.5848839 0.0000000 0.4451608 -7.4279996 19 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 0.5848839 0.0000000 0.4451608 -7.4279996 20 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 -0.5848839 0.0000000 -0.4451608 -7.4279996 21 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 -0.2210593 0.0000000 -0.4663227 -7.0512195 22 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 0.2210593 0.0000000 0.4663227 -7.0512195 23 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 -0.2210593 0.0000000 -0.4663227 -7.0512195 24 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 0.2210593 0.0000000 0.4663227 -7.0512195 ---------------------------------------------------------------------------- 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: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1410 Number of blocks in projector: 1410 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: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1410, 1382), data: False |-- (186, 182), data: True |-- (186, 182), data: True |-- (186, 182), data: True |-- (276, 272), data: True |-- (276, 272), data: True |-- (300, 292), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.580 Solver_block: 200 / 400 - Time: 1.595 Solver_block: 300 / 400 - Time: 1.584 Solver_block: 400 / 400 - Time: 1.585 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.377 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1410 Number of blocks in projector: 1410 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: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1410, 1382), data: False |-- (186, 182), data: True |-- (186, 182), data: True |-- (186, 182), data: True |-- (276, 272), data: True |-- (276, 272), data: True |-- (300, 292), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:58:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:58:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.058832120000001 -4.054405655000000 0.000000000000000 b 5.058832120000001 4.054405655000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): 1 Si 0.82044719839118 0.92590951448990 0.72379683670274 28.085 2 Si 0.67955280160882 0.57409048551010 0.22379683670274 28.085 3 Si 0.57409048551010 0.67955280160882 0.77620316329726 28.085 4 Si 0.92590951448990 0.82044719839118 0.27620316329726 28.085 5 Si 0.17955280160882 0.07409048551010 0.27620316329726 28.085 6 Si 0.32044719839118 0.42590951448990 0.77620316329726 28.085 7 Si 0.42590951448990 0.32044719839118 0.22379683670274 28.085 8 Si 0.07409048551010 0.17955280160882 0.72379683670274 28.085 9 Si 0.14925104766662 0.59384311475042 0.05902030747061 28.085 10 Si 0.35074895233338 0.90615688524957 0.55902030747061 28.085 11 Si 0.90615688524957 0.35074895233338 0.44097969252939 28.085 12 Si 0.59384311475042 0.14925104766662 0.94097969252939 28.085 13 Si 0.85074895233338 0.40615688524957 0.94097969252939 28.085 14 Si 0.64925104766662 0.09384311475042 0.44097969252939 28.085 15 Si 0.09384311475043 0.64925104766662 0.55902030747061 28.085 16 Si 0.40615688524957 0.85074895233338 0.05902030747061 28.085 17 Os 0.18787634544103 0.81212365455897 0.81843378751039 190.230 18 Os 0.31212365455897 0.68787634544103 0.31843378751039 190.230 19 Os 0.68787634544103 0.31212365455897 0.68156621248961 190.230 20 Os 0.81212365455897 0.18787634544103 0.18156621248961 190.230 21 Os 0.71465498952618 0.71465498952618 0.50000000000000 190.230 22 Os 0.78534501047382 0.78534501047382 0.00000000000000 190.230 23 Os 0.28534501047382 0.28534501047382 0.50000000000000 190.230 24 Os 0.21465498952618 0.21465498952618 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.117664240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 16.217622620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): 1 Si 0.87317835644054 0.02636557902468 0.72379683670274 28.085 > 1 2 Si 0.87317835644054 0.52636557902468 0.72379683670274 28.085 > 1 3 Si 0.62682164355946 0.47363442097532 0.22379683670274 28.085 > 3 4 Si 0.62682164355946 0.97363442097532 0.22379683670274 28.085 > 3 5 Si 0.62682164355946 0.02636557902468 0.77620316329726 28.085 > 5 6 Si 0.62682164355946 0.52636557902468 0.77620316329726 28.085 > 5 7 Si 0.87317835644054 0.47363442097532 0.27620316329726 28.085 > 7 8 Si 0.87317835644054 0.97363442097532 0.27620316329726 28.085 > 7 9 Si 0.12682164355946 0.47363442097532 0.27620316329726 28.085 > 9 10 Si 0.12682164355946 0.97363442097532 0.27620316329726 28.085 > 9 11 Si 0.37317835644054 0.02636557902468 0.77620316329726 28.085 > 11 12 Si 0.37317835644054 0.52636557902468 0.77620316329726 28.085 > 11 13 Si 0.37317835644054 0.47363442097532 0.22379683670274 28.085 > 13 14 Si 0.37317835644054 0.97363442097532 0.22379683670274 28.085 > 13 15 Si 0.12682164355946 0.02636557902468 0.72379683670274 28.085 > 15 16 Si 0.12682164355946 0.52636557902468 0.72379683670274 28.085 > 15 17 Si 0.37154708120852 0.11114801677095 0.05902030747061 28.085 > 17 18 Si 0.37154708120852 0.61114801677095 0.05902030747061 28.085 > 17 19 Si 0.62845291879148 0.13885198322905 0.55902030747061 28.085 > 19 20 Si 0.62845291879148 0.63885198322905 0.55902030747061 28.085 > 19 21 Si 0.62845291879148 0.36114801677095 0.44097969252939 28.085 > 21 22 Si 0.62845291879148 0.86114801677095 0.44097969252939 28.085 > 21 23 Si 0.37154708120852 0.38885198322905 0.94097969252939 28.085 > 23 24 Si 0.37154708120852 0.88885198322905 0.94097969252939 28.085 > 23 25 Si 0.62845291879148 0.38885198322905 0.94097969252939 28.085 > 25 26 Si 0.62845291879148 0.88885198322905 0.94097969252939 28.085 > 25 27 Si 0.37154708120852 0.36114801677095 0.44097969252939 28.085 > 27 28 Si 0.37154708120852 0.86114801677095 0.44097969252939 28.085 > 27 29 Si 0.37154708120852 0.13885198322905 0.55902030747061 28.085 > 29 30 Si 0.37154708120852 0.63885198322905 0.55902030747061 28.085 > 29 31 Si 0.62845291879148 0.11114801677095 0.05902030747061 28.085 > 31 32 Si 0.62845291879148 0.61114801677095 0.05902030747061 28.085 > 31 33 Si 0.37317835644054 0.27636557902468 0.72379683670274 28.085 > 1 34 Si 0.37317835644054 0.77636557902468 0.72379683670274 28.085 > 1 35 Si 0.12682164355946 0.22363442097532 0.22379683670274 28.085 > 3 36 Si 0.12682164355946 0.72363442097532 0.22379683670274 28.085 > 3 37 Si 0.12682164355946 0.27636557902468 0.77620316329726 28.085 > 5 38 Si 0.12682164355946 0.77636557902468 0.77620316329726 28.085 > 5 39 Si 0.37317835644054 0.22363442097532 0.27620316329726 28.085 > 7 40 Si 0.37317835644054 0.72363442097532 0.27620316329726 28.085 > 7 41 Si 0.62682164355946 0.22363442097532 0.27620316329726 28.085 > 9 42 Si 0.62682164355946 0.72363442097532 0.27620316329726 28.085 > 9 43 Si 0.87317835644054 0.27636557902468 0.77620316329726 28.085 > 11 44 Si 0.87317835644054 0.77636557902468 0.77620316329726 28.085 > 11 45 Si 0.87317835644054 0.22363442097532 0.22379683670274 28.085 > 13 46 Si 0.87317835644054 0.72363442097532 0.22379683670274 28.085 > 13 47 Si 0.62682164355946 0.27636557902468 0.72379683670274 28.085 > 15 48 Si 0.62682164355946 0.77636557902468 0.72379683670274 28.085 > 15 49 Si 0.87154708120852 0.36114801677095 0.05902030747061 28.085 > 17 50 Si 0.87154708120852 0.86114801677095 0.05902030747061 28.085 > 17 51 Si 0.12845291879148 0.38885198322905 0.55902030747061 28.085 > 19 52 Si 0.12845291879148 0.88885198322905 0.55902030747061 28.085 > 19 53 Si 0.12845291879148 0.11114801677095 0.44097969252939 28.085 > 21 54 Si 0.12845291879148 0.61114801677095 0.44097969252939 28.085 > 21 55 Si 0.87154708120852 0.13885198322905 0.94097969252939 28.085 > 23 56 Si 0.87154708120852 0.63885198322905 0.94097969252939 28.085 > 23 57 Si 0.12845291879148 0.13885198322905 0.94097969252939 28.085 > 25 58 Si 0.12845291879148 0.63885198322905 0.94097969252939 28.085 > 25 59 Si 0.87154708120852 0.11114801677095 0.44097969252939 28.085 > 27 60 Si 0.87154708120852 0.61114801677095 0.44097969252939 28.085 > 27 61 Si 0.87154708120852 0.38885198322905 0.55902030747061 28.085 > 29 62 Si 0.87154708120852 0.88885198322905 0.55902030747061 28.085 > 29 63 Si 0.12845291879148 0.36114801677095 0.05902030747061 28.085 > 31 64 Si 0.12845291879148 0.86114801677095 0.05902030747061 28.085 > 31 65 Os 0.50000000000000 0.15606182727949 0.81843378751039 190.230 > 65 66 Os 0.50000000000000 0.65606182727949 0.81843378751039 190.230 > 65 67 Os 0.50000000000000 0.09393817272051 0.31843378751039 190.230 > 67 68 Os 0.50000000000000 0.59393817272051 0.31843378751039 190.230 > 67 69 Os 0.50000000000000 0.40606182727948 0.68156621248961 190.230 > 69 70 Os 0.50000000000000 0.90606182727948 0.68156621248961 190.230 > 69 71 Os 0.50000000000000 0.34393817272052 0.18156621248961 190.230 > 71 72 Os 0.50000000000000 0.84393817272052 0.18156621248961 190.230 > 71 73 Os 0.71465498952618 0.00000000000000 0.50000000000000 190.230 > 73 74 Os 0.71465498952618 0.50000000000000 0.50000000000000 190.230 > 73 75 Os 0.78534501047382 0.00000000000000 0.00000000000000 190.230 > 75 76 Os 0.78534501047382 0.50000000000000 0.00000000000000 190.230 > 75 77 Os 0.28534501047382 0.00000000000000 0.50000000000000 190.230 > 77 78 Os 0.28534501047382 0.50000000000000 0.50000000000000 190.230 > 77 79 Os 0.21465498952618 0.00000000000000 0.00000000000000 190.230 > 79 80 Os 0.21465498952618 0.50000000000000 0.00000000000000 190.230 > 79 81 Os 0.00000000000000 0.40606182727948 0.81843378751039 190.230 > 65 82 Os 0.00000000000000 0.90606182727948 0.81843378751039 190.230 > 65 83 Os 0.00000000000000 0.34393817272052 0.31843378751039 190.230 > 67 84 Os 0.00000000000000 0.84393817272052 0.31843378751039 190.230 > 67 85 Os 0.00000000000000 0.15606182727949 0.68156621248961 190.230 > 69 86 Os 0.00000000000000 0.65606182727949 0.68156621248961 190.230 > 69 87 Os 0.00000000000000 0.09393817272051 0.18156621248961 190.230 > 71 88 Os 0.00000000000000 0.59393817272051 0.18156621248961 190.230 > 71 89 Os 0.21465498952618 0.25000000000000 0.50000000000000 190.230 > 73 90 Os 0.21465498952618 0.75000000000000 0.50000000000000 190.230 > 73 91 Os 0.28534501047382 0.25000000000000 0.00000000000000 190.230 > 75 92 Os 0.28534501047382 0.75000000000000 0.00000000000000 190.230 > 75 93 Os 0.78534501047382 0.25000000000000 0.50000000000000 190.230 > 77 94 Os 0.78534501047382 0.75000000000000 0.50000000000000 190.230 > 77 95 Os 0.71465498952618 0.25000000000000 0.00000000000000 190.230 > 79 96 Os 0.71465498952618 0.75000000000000 0.00000000000000 190.230 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.0028530 0.0000000 0.0000000 0.0000000 17.2845002 0.0000000 0.0000000 0.0000000 16.9401030 -------------------------- Born effective charges -------------------------- 1 Si 3.3017720 0.1178681 -0.0612151 0.0473792 3.5308991 -0.3167594 0.3292733 0.0537009 3.5662640 2 Si 3.3017720 0.1178681 0.0612151 0.0473792 3.5308991 0.3167594 -0.3292733 -0.0537009 3.5662640 3 Si 3.3017720 -0.1178681 -0.0612151 -0.0473792 3.5308991 0.3167594 0.3292733 -0.0537009 3.5662640 4 Si 3.3017720 -0.1178681 0.0612151 -0.0473792 3.5308991 -0.3167594 -0.3292733 0.0537009 3.5662640 5 Si 3.3017720 0.1178681 -0.0612151 0.0473792 3.5308991 -0.3167594 0.3292733 0.0537009 3.5662640 6 Si 3.3017720 0.1178681 0.0612151 0.0473792 3.5308991 0.3167594 -0.3292733 -0.0537009 3.5662640 7 Si 3.3017720 -0.1178681 -0.0612151 -0.0473792 3.5308991 0.3167594 0.3292733 -0.0537009 3.5662640 8 Si 3.3017720 -0.1178681 0.0612151 -0.0473792 3.5308991 -0.3167594 -0.3292733 0.0537009 3.5662640 9 Si 3.1983775 -0.2421468 0.2261047 0.2026627 3.5969197 -0.2221513 -0.1264257 -0.2984974 3.6733456 10 Si 3.1983775 -0.2421468 -0.2261047 0.2026627 3.5969197 0.2221513 0.1264257 0.2984974 3.6733456 11 Si 3.1983775 0.2421468 0.2261047 -0.2026627 3.5969197 0.2221513 -0.1264257 0.2984974 3.6733456 12 Si 3.1983775 0.2421468 -0.2261047 -0.2026627 3.5969197 -0.2221513 0.1264257 -0.2984974 3.6733456 13 Si 3.1983775 -0.2421468 0.2261047 0.2026627 3.5969197 -0.2221513 -0.1264257 -0.2984974 3.6733456 14 Si 3.1983775 -0.2421468 -0.2261047 0.2026627 3.5969197 0.2221513 0.1264257 0.2984974 3.6733456 15 Si 3.1983775 0.2421468 0.2261047 -0.2026627 3.5969197 0.2221513 -0.1264257 0.2984974 3.6733456 16 Si 3.1983775 0.2421468 -0.2261047 -0.2026627 3.5969197 -0.2221513 0.1264257 -0.2984974 3.6733456 17 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 -0.5848839 0.0000000 -0.4451608 -7.4279996 18 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 0.5848839 0.0000000 0.4451608 -7.4279996 19 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 0.5848839 0.0000000 0.4451608 -7.4279996 20 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 -0.5848839 0.0000000 -0.4451608 -7.4279996 21 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 -0.2210593 0.0000000 -0.4663227 -7.0512195 22 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 0.2210593 0.0000000 0.4663227 -7.0512195 23 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 -0.2210593 0.0000000 -0.4663227 -7.0512195 24 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 0.2210593 0.0000000 0.4663227 -7.0512195 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 02:59:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:59:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.058832120000001 -4.054405655000000 0.000000000000000 b 5.058832120000001 4.054405655000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): 1 Si 0.82044719839118 0.92590951448990 0.72379683670274 28.085 2 Si 0.67955280160882 0.57409048551010 0.22379683670274 28.085 3 Si 0.57409048551010 0.67955280160882 0.77620316329726 28.085 4 Si 0.92590951448990 0.82044719839118 0.27620316329726 28.085 5 Si 0.17955280160882 0.07409048551010 0.27620316329726 28.085 6 Si 0.32044719839118 0.42590951448990 0.77620316329726 28.085 7 Si 0.42590951448990 0.32044719839118 0.22379683670274 28.085 8 Si 0.07409048551010 0.17955280160882 0.72379683670274 28.085 9 Si 0.14925104766662 0.59384311475042 0.05902030747061 28.085 10 Si 0.35074895233338 0.90615688524957 0.55902030747061 28.085 11 Si 0.90615688524957 0.35074895233338 0.44097969252939 28.085 12 Si 0.59384311475042 0.14925104766662 0.94097969252939 28.085 13 Si 0.85074895233338 0.40615688524957 0.94097969252939 28.085 14 Si 0.64925104766662 0.09384311475042 0.44097969252939 28.085 15 Si 0.09384311475043 0.64925104766662 0.55902030747061 28.085 16 Si 0.40615688524957 0.85074895233338 0.05902030747061 28.085 17 Os 0.18787634544103 0.81212365455897 0.81843378751039 190.230 18 Os 0.31212365455897 0.68787634544103 0.31843378751039 190.230 19 Os 0.68787634544103 0.31212365455897 0.68156621248961 190.230 20 Os 0.81212365455897 0.18787634544103 0.18156621248961 190.230 21 Os 0.71465498952618 0.71465498952618 0.50000000000000 190.230 22 Os 0.78534501047382 0.78534501047382 0.00000000000000 190.230 23 Os 0.28534501047382 0.28534501047382 0.50000000000000 190.230 24 Os 0.21465498952618 0.21465498952618 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.117664240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 16.217622620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.207358609999998 Atomic positions (fractional): 1 Si 0.87317835644054 0.02636557902468 0.72379683670274 28.085 > 1 2 Si 0.87317835644054 0.52636557902468 0.72379683670274 28.085 > 1 3 Si 0.62682164355946 0.47363442097532 0.22379683670274 28.085 > 3 4 Si 0.62682164355946 0.97363442097532 0.22379683670274 28.085 > 3 5 Si 0.62682164355946 0.02636557902468 0.77620316329726 28.085 > 5 6 Si 0.62682164355946 0.52636557902468 0.77620316329726 28.085 > 5 7 Si 0.87317835644054 0.47363442097532 0.27620316329726 28.085 > 7 8 Si 0.87317835644054 0.97363442097532 0.27620316329726 28.085 > 7 9 Si 0.12682164355946 0.47363442097532 0.27620316329726 28.085 > 9 10 Si 0.12682164355946 0.97363442097532 0.27620316329726 28.085 > 9 11 Si 0.37317835644054 0.02636557902468 0.77620316329726 28.085 > 11 12 Si 0.37317835644054 0.52636557902468 0.77620316329726 28.085 > 11 13 Si 0.37317835644054 0.47363442097532 0.22379683670274 28.085 > 13 14 Si 0.37317835644054 0.97363442097532 0.22379683670274 28.085 > 13 15 Si 0.12682164355946 0.02636557902468 0.72379683670274 28.085 > 15 16 Si 0.12682164355946 0.52636557902468 0.72379683670274 28.085 > 15 17 Si 0.37154708120852 0.11114801677095 0.05902030747061 28.085 > 17 18 Si 0.37154708120852 0.61114801677095 0.05902030747061 28.085 > 17 19 Si 0.62845291879148 0.13885198322905 0.55902030747061 28.085 > 19 20 Si 0.62845291879148 0.63885198322905 0.55902030747061 28.085 > 19 21 Si 0.62845291879148 0.36114801677095 0.44097969252939 28.085 > 21 22 Si 0.62845291879148 0.86114801677095 0.44097969252939 28.085 > 21 23 Si 0.37154708120852 0.38885198322905 0.94097969252939 28.085 > 23 24 Si 0.37154708120852 0.88885198322905 0.94097969252939 28.085 > 23 25 Si 0.62845291879148 0.38885198322905 0.94097969252939 28.085 > 25 26 Si 0.62845291879148 0.88885198322905 0.94097969252939 28.085 > 25 27 Si 0.37154708120852 0.36114801677095 0.44097969252939 28.085 > 27 28 Si 0.37154708120852 0.86114801677095 0.44097969252939 28.085 > 27 29 Si 0.37154708120852 0.13885198322905 0.55902030747061 28.085 > 29 30 Si 0.37154708120852 0.63885198322905 0.55902030747061 28.085 > 29 31 Si 0.62845291879148 0.11114801677095 0.05902030747061 28.085 > 31 32 Si 0.62845291879148 0.61114801677095 0.05902030747061 28.085 > 31 33 Si 0.37317835644054 0.27636557902468 0.72379683670274 28.085 > 1 34 Si 0.37317835644054 0.77636557902468 0.72379683670274 28.085 > 1 35 Si 0.12682164355946 0.22363442097532 0.22379683670274 28.085 > 3 36 Si 0.12682164355946 0.72363442097532 0.22379683670274 28.085 > 3 37 Si 0.12682164355946 0.27636557902468 0.77620316329726 28.085 > 5 38 Si 0.12682164355946 0.77636557902468 0.77620316329726 28.085 > 5 39 Si 0.37317835644054 0.22363442097532 0.27620316329726 28.085 > 7 40 Si 0.37317835644054 0.72363442097532 0.27620316329726 28.085 > 7 41 Si 0.62682164355946 0.22363442097532 0.27620316329726 28.085 > 9 42 Si 0.62682164355946 0.72363442097532 0.27620316329726 28.085 > 9 43 Si 0.87317835644054 0.27636557902468 0.77620316329726 28.085 > 11 44 Si 0.87317835644054 0.77636557902468 0.77620316329726 28.085 > 11 45 Si 0.87317835644054 0.22363442097532 0.22379683670274 28.085 > 13 46 Si 0.87317835644054 0.72363442097532 0.22379683670274 28.085 > 13 47 Si 0.62682164355946 0.27636557902468 0.72379683670274 28.085 > 15 48 Si 0.62682164355946 0.77636557902468 0.72379683670274 28.085 > 15 49 Si 0.87154708120852 0.36114801677095 0.05902030747061 28.085 > 17 50 Si 0.87154708120852 0.86114801677095 0.05902030747061 28.085 > 17 51 Si 0.12845291879148 0.38885198322905 0.55902030747061 28.085 > 19 52 Si 0.12845291879148 0.88885198322905 0.55902030747061 28.085 > 19 53 Si 0.12845291879148 0.11114801677095 0.44097969252939 28.085 > 21 54 Si 0.12845291879148 0.61114801677095 0.44097969252939 28.085 > 21 55 Si 0.87154708120852 0.13885198322905 0.94097969252939 28.085 > 23 56 Si 0.87154708120852 0.63885198322905 0.94097969252939 28.085 > 23 57 Si 0.12845291879148 0.13885198322905 0.94097969252939 28.085 > 25 58 Si 0.12845291879148 0.63885198322905 0.94097969252939 28.085 > 25 59 Si 0.87154708120852 0.11114801677095 0.44097969252939 28.085 > 27 60 Si 0.87154708120852 0.61114801677095 0.44097969252939 28.085 > 27 61 Si 0.87154708120852 0.38885198322905 0.55902030747061 28.085 > 29 62 Si 0.87154708120852 0.88885198322905 0.55902030747061 28.085 > 29 63 Si 0.12845291879148 0.36114801677095 0.05902030747061 28.085 > 31 64 Si 0.12845291879148 0.86114801677095 0.05902030747061 28.085 > 31 65 Os 0.50000000000000 0.15606182727949 0.81843378751039 190.230 > 65 66 Os 0.50000000000000 0.65606182727949 0.81843378751039 190.230 > 65 67 Os 0.50000000000000 0.09393817272051 0.31843378751039 190.230 > 67 68 Os 0.50000000000000 0.59393817272051 0.31843378751039 190.230 > 67 69 Os 0.50000000000000 0.40606182727948 0.68156621248961 190.230 > 69 70 Os 0.50000000000000 0.90606182727948 0.68156621248961 190.230 > 69 71 Os 0.50000000000000 0.34393817272052 0.18156621248961 190.230 > 71 72 Os 0.50000000000000 0.84393817272052 0.18156621248961 190.230 > 71 73 Os 0.71465498952618 0.00000000000000 0.50000000000000 190.230 > 73 74 Os 0.71465498952618 0.50000000000000 0.50000000000000 190.230 > 73 75 Os 0.78534501047382 0.00000000000000 0.00000000000000 190.230 > 75 76 Os 0.78534501047382 0.50000000000000 0.00000000000000 190.230 > 75 77 Os 0.28534501047382 0.00000000000000 0.50000000000000 190.230 > 77 78 Os 0.28534501047382 0.50000000000000 0.50000000000000 190.230 > 77 79 Os 0.21465498952618 0.00000000000000 0.00000000000000 190.230 > 79 80 Os 0.21465498952618 0.50000000000000 0.00000000000000 190.230 > 79 81 Os 0.00000000000000 0.40606182727948 0.81843378751039 190.230 > 65 82 Os 0.00000000000000 0.90606182727948 0.81843378751039 190.230 > 65 83 Os 0.00000000000000 0.34393817272052 0.31843378751039 190.230 > 67 84 Os 0.00000000000000 0.84393817272052 0.31843378751039 190.230 > 67 85 Os 0.00000000000000 0.15606182727949 0.68156621248961 190.230 > 69 86 Os 0.00000000000000 0.65606182727949 0.68156621248961 190.230 > 69 87 Os 0.00000000000000 0.09393817272051 0.18156621248961 190.230 > 71 88 Os 0.00000000000000 0.59393817272051 0.18156621248961 190.230 > 71 89 Os 0.21465498952618 0.25000000000000 0.50000000000000 190.230 > 73 90 Os 0.21465498952618 0.75000000000000 0.50000000000000 190.230 > 73 91 Os 0.28534501047382 0.25000000000000 0.00000000000000 190.230 > 75 92 Os 0.28534501047382 0.75000000000000 0.00000000000000 190.230 > 75 93 Os 0.78534501047382 0.25000000000000 0.50000000000000 190.230 > 77 94 Os 0.78534501047382 0.75000000000000 0.50000000000000 190.230 > 77 95 Os 0.71465498952618 0.25000000000000 0.00000000000000 190.230 > 79 96 Os 0.71465498952618 0.75000000000000 0.00000000000000 190.230 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.0028530 0.0000000 0.0000000 0.0000000 17.2845002 0.0000000 0.0000000 0.0000000 16.9401030 -------------------------- Born effective charges -------------------------- 1 Si 3.3017720 0.1178681 -0.0612151 0.0473792 3.5308991 -0.3167594 0.3292733 0.0537009 3.5662640 2 Si 3.3017720 0.1178681 0.0612151 0.0473792 3.5308991 0.3167594 -0.3292733 -0.0537009 3.5662640 3 Si 3.3017720 -0.1178681 -0.0612151 -0.0473792 3.5308991 0.3167594 0.3292733 -0.0537009 3.5662640 4 Si 3.3017720 -0.1178681 0.0612151 -0.0473792 3.5308991 -0.3167594 -0.3292733 0.0537009 3.5662640 5 Si 3.3017720 0.1178681 -0.0612151 0.0473792 3.5308991 -0.3167594 0.3292733 0.0537009 3.5662640 6 Si 3.3017720 0.1178681 0.0612151 0.0473792 3.5308991 0.3167594 -0.3292733 -0.0537009 3.5662640 7 Si 3.3017720 -0.1178681 -0.0612151 -0.0473792 3.5308991 0.3167594 0.3292733 -0.0537009 3.5662640 8 Si 3.3017720 -0.1178681 0.0612151 -0.0473792 3.5308991 -0.3167594 -0.3292733 0.0537009 3.5662640 9 Si 3.1983775 -0.2421468 0.2261047 0.2026627 3.5969197 -0.2221513 -0.1264257 -0.2984974 3.6733456 10 Si 3.1983775 -0.2421468 -0.2261047 0.2026627 3.5969197 0.2221513 0.1264257 0.2984974 3.6733456 11 Si 3.1983775 0.2421468 0.2261047 -0.2026627 3.5969197 0.2221513 -0.1264257 0.2984974 3.6733456 12 Si 3.1983775 0.2421468 -0.2261047 -0.2026627 3.5969197 -0.2221513 0.1264257 -0.2984974 3.6733456 13 Si 3.1983775 -0.2421468 0.2261047 0.2026627 3.5969197 -0.2221513 -0.1264257 -0.2984974 3.6733456 14 Si 3.1983775 -0.2421468 -0.2261047 0.2026627 3.5969197 0.2221513 0.1264257 0.2984974 3.6733456 15 Si 3.1983775 0.2421468 0.2261047 -0.2026627 3.5969197 0.2221513 -0.1264257 0.2984974 3.6733456 16 Si 3.1983775 0.2421468 -0.2261047 -0.2026627 3.5969197 -0.2221513 0.1264257 -0.2984974 3.6733456 17 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 -0.5848839 0.0000000 -0.4451608 -7.4279996 18 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 0.5848839 0.0000000 0.4451608 -7.4279996 19 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 0.5848839 0.0000000 0.4451608 -7.4279996 20 Os -6.0696672 0.0000000 0.0000000 0.0000000 -7.4703842 -0.5848839 0.0000000 -0.4451608 -7.4279996 21 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 -0.2210593 0.0000000 -0.4663227 -7.0512195 22 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 0.2210593 0.0000000 0.4663227 -7.0512195 23 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 -0.2210593 0.0000000 -0.4663227 -7.0512195 24 Os -6.9306317 0.0000000 0.0000000 0.0000000 -6.7852532 0.2210593 0.0000000 0.4663227 -7.0512195 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.60, Number of G-points: 295, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 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 3.537 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.189 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 10.883 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.775 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.308 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.572 ( 0.000 0.000 0.000) 0.000 12.700 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.194 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 14.314 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 14.851 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 18.356 -29.656 0.000) 34.877 0.715 ( 24.244 -26.687 0.000) 36.055 1.280 ( 35.765 -52.599 0.000) 63.606 3.521 ( -1.832 2.991 0.000) 3.507 3.672 ( 2.288 -4.612 0.000) 5.148 3.798 ( -2.636 -1.158 0.000) 2.879 3.860 ( -1.015 -1.093 0.000) 1.492 3.885 ( -0.500 0.557 0.000) 0.748 4.027 ( 5.078 -0.247 0.000) 5.084 4.123 ( -3.627 -1.307 0.000) 3.855 4.206 ( 1.442 -0.217 0.000) 1.458 4.713 ( -2.933 3.997 0.000) 4.957 4.720 ( -0.715 9.182 0.000) 9.210 4.951 ( -3.493 -7.317 0.000) 8.108 5.218 ( -3.372 5.107 0.000) 6.120 5.333 ( -4.119 3.080 0.000) 5.143 5.377 ( -6.157 6.570 0.000) 9.004 5.462 ( -1.414 -5.720 0.000) 5.892 5.552 ( 4.285 -3.119 0.000) 5.300 5.669 ( 6.786 1.305 0.000) 6.911 5.696 ( 4.425 -0.850 0.000) 4.506 5.774 ( 0.000 6.691 0.000) 6.691 6.032 ( -1.894 3.517 0.000) 3.994 6.047 ( -2.490 4.228 0.000) 4.907 7.351 ( 8.979 -0.651 0.000) 9.003 7.733 ( 0.638 -0.367 0.000) 0.736 7.735 ( 8.900 -0.013 0.000) 8.900 7.852 ( 0.044 -0.534 0.000) 0.536 7.863 ( -1.038 -3.166 0.000) 3.332 7.887 ( 3.906 -1.498 0.000) 4.183 8.081 ( 4.433 -1.246 0.000) 4.605 8.129 ( 3.879 -0.966 0.000) 3.997 8.349 ( 3.097 -1.034 0.000) 3.265 8.357 ( 21.276 15.728 0.000) 26.458 8.516 ( -1.245 0.973 0.000) 1.580 9.456 ( -13.318 -2.111 0.000) 13.484 9.609 ( -20.727 -0.681 0.000) 20.738 9.883 ( -0.618 4.083 0.000) 4.129 10.021 ( 9.104 17.329 0.000) 19.575 10.225 ( 0.808 2.621 0.000) 2.743 10.256 ( -6.520 -5.777 0.000) 8.712 10.332 ( -12.231 4.134 0.000) 12.911 10.438 ( -22.099 -1.075 0.000) 22.126 10.623 ( 5.404 -1.499 0.000) 5.608 10.723 ( -5.581 6.002 0.000) 8.196 10.845 ( 13.808 0.260 0.000) 13.811 10.923 ( -13.437 -1.204 0.000) 13.491 11.142 ( -0.041 7.907 0.000) 7.907 11.268 ( -0.368 -1.146 0.000) 1.204 11.278 ( 11.663 6.226 0.000) 13.221 11.298 ( 5.657 -2.659 0.000) 6.250 11.523 ( -1.079 -12.364 0.000) 12.411 11.578 ( 2.631 3.747 0.000) 4.578 11.849 ( 2.583 -1.483 0.000) 2.978 11.877 ( 1.008 2.905 0.000) 3.075 12.071 ( -2.011 -3.497 0.000) 4.034 12.102 ( 23.291 2.368 0.000) 23.411 12.269 ( -7.656 -4.038 0.000) 8.656 12.352 ( 7.823 10.016 0.000) 12.709 12.372 ( 0.810 1.415 0.000) 1.630 12.445 ( 3.576 -1.240 0.000) 3.785 12.568 ( 3.946 -2.145 0.000) 4.491 12.957 ( -5.340 -8.042 0.000) 9.654 13.205 ( 0.580 -0.714 0.000) 0.920 13.345 ( -15.000 -0.277 0.000) 15.003 13.407 ( -1.931 -13.814 0.000) 13.948 13.629 ( -13.992 -15.719 0.000) 21.044 13.842 ( 5.976 0.330 0.000) 5.985 14.338 ( -10.245 -4.773 0.000) 11.303 14.450 ( -1.754 1.952 0.000) 2.624 14.627 ( 1.244 4.676 0.000) 4.839 14.822 ( -2.269 1.786 0.000) 2.887 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 17.691 -28.411 0.000) 33.469 1.416 ( 23.448 -25.809 0.000) 34.870 2.474 ( 31.431 -46.917 0.000) 56.473 3.357 ( -7.452 10.657 0.000) 13.004 3.636 ( -9.657 9.656 0.000) 13.657 3.779 ( -2.100 -6.329 0.000) 6.668 3.912 ( 5.367 -3.769 0.000) 6.558 3.926 ( -3.007 -4.363 0.000) 5.299 4.128 ( -1.835 -6.128 0.000) 6.397 4.174 ( 13.017 -4.810 0.000) 13.877 4.275 ( 5.581 -2.921 0.000) 6.299 4.578 ( 0.820 8.354 0.000) 8.394 4.599 ( -4.274 4.172 0.000) 5.972 5.001 ( -7.855 -8.045 0.000) 11.244 5.055 ( -4.855 9.163 0.000) 10.369 5.154 ( -5.181 12.672 0.000) 13.690 5.174 ( -10.310 4.546 0.000) 11.267 5.539 ( -1.317 4.400 0.000) 4.593 5.611 ( 0.658 4.832 0.000) 4.877 5.668 ( 4.545 -3.948 0.000) 6.020 5.747 ( 6.019 1.263 0.000) 6.150 5.756 ( 2.707 -0.606 0.000) 2.774 5.922 ( -3.536 6.149 0.000) 7.093 5.934 ( -1.570 5.319 0.000) 5.546 7.521 ( 14.612 -1.625 0.000) 14.702 7.753 ( 1.013 -0.862 0.000) 1.330 7.852 ( 5.198 -2.060 0.000) 5.591 7.866 ( 0.667 -0.726 0.000) 0.986 7.924 ( 0.158 -5.415 0.000) 5.418 8.015 ( 17.142 0.764 0.000) 17.159 8.179 ( 5.755 -2.678 0.000) 6.348 8.210 ( 6.069 -1.477 0.000) 6.246 8.393 ( 13.301 7.045 0.000) 15.051 8.426 ( 7.771 -0.253 0.000) 7.775 8.472 ( -2.329 1.797 0.000) 2.942 9.269 ( -23.387 -3.834 0.000) 23.699 9.302 ( -27.073 1.642 0.000) 27.122 9.768 ( 9.740 17.605 0.000) 20.120 9.909 ( -37.261 1.923 0.000) 37.311 9.923 ( 4.888 4.990 0.000) 6.986 10.030 ( -27.084 -1.726 0.000) 27.139 10.310 ( -2.650 -8.045 0.000) 8.470 10.354 ( -1.968 3.225 0.000) 3.778 10.543 ( -0.555 6.638 0.000) 6.661 10.658 ( 0.391 2.331 0.000) 2.363 10.906 ( 5.606 2.718 0.000) 6.230 10.987 ( 8.425 -1.424 0.000) 8.544 11.104 ( -0.260 -2.304 0.000) 2.318 11.243 ( 2.955 7.885 0.000) 8.421 11.296 ( -0.928 -3.832 0.000) 3.943 11.464 ( -2.150 8.885 0.000) 9.142 11.494 ( 14.011 -6.572 0.000) 15.476 11.645 ( -3.593 -6.511 0.000) 7.437 11.802 ( -0.517 6.007 0.000) 6.029 11.891 ( 1.494 3.682 0.000) 3.974 12.132 ( 5.471 8.914 0.000) 10.459 12.139 ( -3.131 -9.340 0.000) 9.851 12.318 ( -1.852 -9.235 0.000) 9.419 12.367 ( 2.947 1.451 0.000) 3.285 12.433 ( 3.591 3.070 0.000) 4.724 12.581 ( 23.228 -3.509 0.000) 23.492 12.738 ( 10.825 -5.137 0.000) 11.982 13.016 ( -7.274 -7.894 0.000) 10.735 13.168 ( -5.449 5.454 0.000) 7.710 13.180 ( -3.346 2.666 0.000) 4.278 13.576 ( 0.010 -10.265 0.000) 10.265 13.642 ( -12.029 -6.574 0.000) 13.708 13.986 ( 12.728 -2.537 0.000) 12.978 14.259 ( -12.147 -2.911 0.000) 12.491 14.395 ( -3.401 0.012 0.000) 3.401 14.538 ( -2.686 5.767 0.000) 6.362 14.751 ( -2.083 3.564 0.000) 4.128 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 16.399 -26.009 0.000) 30.747 2.082 ( 21.864 -23.982 0.000) 32.453 3.024 ( -11.506 16.972 0.000) 20.505 3.147 ( -9.009 8.358 0.000) 12.289 3.626 ( 18.820 -30.125 0.000) 35.521 3.808 ( -0.630 -1.357 0.000) 1.496 3.907 ( -5.063 -2.549 0.000) 5.668 4.107 ( 5.826 -10.685 0.000) 12.170 4.277 ( 1.536 -11.072 0.000) 11.179 4.394 ( 5.445 -1.186 0.000) 5.573 4.446 ( 13.423 -0.867 0.000) 13.451 4.510 ( -0.800 -3.498 0.000) 3.588 4.521 ( 4.235 1.271 0.000) 4.422 4.829 ( -4.540 12.290 0.000) 13.102 4.888 ( -2.213 13.929 0.000) 14.104 4.952 ( -12.081 6.573 0.000) 13.753 4.982 ( -12.894 -4.972 0.000) 13.819 5.200 ( -10.468 20.685 0.000) 23.183 5.677 ( 3.299 -0.642 0.000) 3.361 5.732 ( -3.266 2.863 0.000) 4.343 5.766 ( 3.150 -1.980 0.000) 3.721 5.775 ( 1.761 1.120 0.000) 2.087 5.845 ( 0.391 0.350 0.000) 0.525 5.868 ( 1.806 2.833 0.000) 3.360 7.713 ( 10.232 -1.122 0.000) 10.293 7.780 ( 0.618 -1.003 0.000) 1.178 7.892 ( 1.104 -1.110 0.000) 1.566 7.919 ( 1.182 -1.353 0.000) 1.797 8.042 ( 4.926 -6.916 0.000) 8.491 8.230 ( 16.677 1.703 0.000) 16.764 8.270 ( 1.805 -1.185 0.000) 2.159 8.349 ( 13.504 -0.636 0.000) 13.519 8.412 ( -3.008 0.791 0.000) 3.111 8.498 ( 20.303 3.397 0.000) 20.585 8.552 ( 15.016 2.230 0.000) 15.181 8.910 ( -28.887 3.175 0.000) 29.061 9.026 ( -24.972 -4.464 0.000) 25.368 9.395 ( -40.851 0.920 0.000) 40.861 9.638 ( 16.686 19.056 0.000) 25.329 9.759 ( -27.320 -8.053 0.000) 28.482 9.968 ( 3.830 -3.027 0.000) 4.882 10.233 ( -3.383 6.567 0.000) 7.387 10.414 ( -2.058 -8.013 0.000) 8.273 10.489 ( 1.596 3.259 0.000) 3.629 10.616 ( 1.658 2.023 0.000) 2.616 10.860 ( 4.788 12.551 0.000) 13.434 11.109 ( 5.973 -1.245 0.000) 6.101 11.163 ( -2.571 -7.854 0.000) 8.264 11.193 ( -0.455 0.184 0.000) 0.491 11.321 ( 0.820 7.297 0.000) 7.343 11.375 ( -0.242 -7.667 0.000) 7.671 11.650 ( -6.041 -3.116 0.000) 6.798 11.692 ( -0.488 6.376 0.000) 6.395 11.743 ( 0.075 13.572 0.000) 13.573 11.804 ( 15.904 -8.279 0.000) 17.930 12.145 ( 4.480 -0.131 0.000) 4.482 12.218 ( -4.077 -4.693 0.000) 6.216 12.331 ( -5.518 5.833 0.000) 8.029 12.452 ( 6.500 -5.942 0.000) 8.807 12.495 ( 0.092 -12.224 0.000) 12.224 12.845 ( 4.404 3.083 0.000) 5.376 12.918 ( -6.613 6.804 0.000) 9.488 12.957 ( 20.706 -0.240 0.000) 20.708 13.113 ( 4.160 -0.216 0.000) 4.166 13.128 ( -5.445 -5.803 0.000) 7.958 13.533 ( -14.754 -0.913 0.000) 14.782 13.750 ( 6.619 -7.000 0.000) 9.634 14.127 ( -13.100 -0.156 0.000) 13.101 14.156 ( 14.200 3.608 0.000) 14.651 14.395 ( -7.351 3.907 0.000) 8.324 14.412 ( -3.934 -9.095 0.000) 9.910 14.661 ( -0.409 6.323 0.000) 6.336 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 13.216 -21.762 0.000) 25.461 2.556 ( -13.216 21.762 0.000) 25.461 2.688 ( 17.809 -20.471 0.000) 27.134 2.688 ( -17.809 20.471 0.000) 27.134 3.832 ( -3.625 -0.489 0.000) 3.658 3.832 ( 3.625 0.489 0.000) 3.658 4.285 ( -5.067 1.724 0.000) 5.352 4.285 ( 5.067 -1.724 0.000) 5.352 4.399 ( 3.860 -2.826 0.000) 4.784 4.399 ( -3.860 2.826 0.000) 4.784 4.523 ( 6.915 -17.602 0.000) 18.912 4.523 ( -6.915 17.602 0.000) 18.912 4.624 ( 6.279 -6.544 0.000) 9.069 4.624 ( -6.279 6.544 0.000) 9.069 4.772 ( -8.806 -1.850 0.000) 8.999 4.772 ( 8.806 1.850 0.000) 8.999 4.867 ( 1.890 -0.979 0.000) 2.128 4.867 ( -1.890 0.979 0.000) 2.128 5.684 ( -2.323 -1.665 0.000) 2.858 5.684 ( 2.323 1.665 0.000) 2.858 5.793 ( -0.420 -1.189 0.000) 1.261 5.793 ( 0.420 1.189 0.000) 1.261 5.858 ( -1.262 -1.907 0.000) 2.287 5.858 ( 1.262 1.907 0.000) 2.287 7.787 ( -1.935 -0.290 0.000) 1.957 7.787 ( 1.935 0.290 0.000) 1.957 7.921 ( 0.778 -0.832 0.000) 1.139 7.921 ( -0.778 0.832 0.000) 1.139 8.217 ( 4.431 -5.225 0.000) 6.851 8.217 ( -4.431 5.225 0.000) 6.851 8.373 ( -5.732 0.123 0.000) 5.734 8.373 ( 5.732 -0.123 0.000) 5.734 8.533 ( -23.229 -0.969 0.000) 23.250 8.533 ( 23.229 0.969 0.000) 23.250 8.715 ( -7.032 -2.416 0.000) 7.436 8.715 ( 7.032 2.416 0.000) 7.436 8.932 ( -22.281 1.595 0.000) 22.338 8.932 ( 22.281 -1.595 0.000) 22.338 9.620 ( -22.448 -14.117 0.000) 26.518 9.620 ( 22.448 14.117 0.000) 26.518 10.089 ( 3.712 -6.062 0.000) 7.108 10.089 ( -3.712 6.062 0.000) 7.108 10.466 ( -1.559 -2.482 0.000) 2.932 10.466 ( 1.559 2.482 0.000) 2.932 10.697 ( 0.405 -9.859 0.000) 9.867 10.697 ( -0.405 9.859 0.000) 9.867 11.169 ( -2.288 1.014 0.000) 2.502 11.169 ( 2.288 -1.014 0.000) 2.502 11.253 ( -1.598 -5.592 0.000) 5.816 11.253 ( 1.598 5.592 0.000) 5.816 11.531 ( 0.179 -12.389 0.000) 12.390 11.531 ( -0.179 12.389 0.000) 12.390 11.633 ( -4.640 -4.570 0.000) 6.512 11.633 ( 4.640 4.570 0.000) 6.512 12.109 ( 12.643 -7.576 0.000) 14.739 12.109 ( -12.643 7.576 0.000) 14.739 12.200 ( -3.609 -0.151 0.000) 3.612 12.200 ( 3.609 0.151 0.000) 3.612 12.642 ( -6.031 0.618 0.000) 6.063 12.642 ( 6.031 -0.618 0.000) 6.063 12.742 ( -3.362 1.493 0.000) 3.678 12.742 ( 3.362 -1.493 0.000) 3.678 13.116 ( -9.645 -3.557 0.000) 10.280 13.116 ( 9.645 3.557 0.000) 10.280 13.317 ( -17.698 2.254 0.000) 17.841 13.317 ( 17.698 -2.254 0.000) 17.841 13.946 ( -11.085 3.836 0.000) 11.730 13.946 ( 11.085 -3.836 0.000) 11.730 14.259 ( -11.204 -1.609 0.000) 11.319 14.259 ( 11.204 1.609 0.000) 11.319 14.541 ( -1.222 -9.878 0.000) 9.953 14.541 ( 1.222 9.878 0.000) 9.953 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 37.273 -0.000 0.000) 37.273 0.939 ( 37.414 -0.000 0.000) 37.414 1.428 ( 55.907 -0.000 0.000) 55.907 3.558 ( 0.899 -0.000 0.000) 0.899 3.680 ( 5.175 -0.000 0.000) 5.175 3.772 ( -0.560 0.000 0.000) 0.560 3.817 ( -2.726 0.000 0.000) 2.726 3.880 ( -2.149 0.000 0.000) 2.149 4.042 ( -7.171 0.000 0.000) 7.171 4.080 ( 4.964 -0.000 0.000) 4.964 4.204 ( -0.070 0.000 0.000) 0.070 4.697 ( -4.529 0.000 0.000) 4.529 4.778 ( -7.659 0.000 0.000) 7.659 4.828 ( -1.199 0.000 0.000) 1.199 5.175 ( -8.966 0.000 0.000) 8.966 5.267 ( -10.557 0.000 0.000) 10.557 5.322 ( -8.057 0.000 0.000) 8.057 5.461 ( 7.761 -0.000 0.000) 7.761 5.611 ( 7.464 -0.000 0.000) 7.464 5.762 ( 5.118 -0.000 0.000) 5.118 5.772 ( 6.744 -0.000 0.000) 6.744 5.837 ( 2.021 -0.000 0.000) 2.021 6.020 ( -4.108 0.000 0.000) 4.108 6.027 ( -5.925 0.000 0.000) 5.925 7.492 ( 14.155 -0.000 0.000) 14.155 7.741 ( 0.917 -0.000 0.000) 0.917 7.814 ( 3.670 -0.000 0.000) 3.670 7.822 ( -1.091 0.000 0.000) 1.091 7.834 ( -1.477 0.000 0.000) 1.477 8.026 ( 20.124 -0.000 0.000) 20.124 8.139 ( 5.192 -0.000 0.000) 5.192 8.181 ( 6.716 -0.000 0.000) 6.716 8.422 ( 10.564 -0.000 0.000) 10.564 8.500 ( -2.585 0.000 0.000) 2.585 8.663 ( -1.893 0.000 0.000) 1.893 9.224 ( -21.784 0.000 0.000) 21.784 9.325 ( -24.026 0.000 0.000) 24.026 9.916 ( 0.595 -0.000 0.000) 0.595 9.966 ( -36.941 0.000 0.000) 36.941 9.971 ( -38.934 0.000 0.000) 38.934 10.122 ( -0.229 0.000 0.000) 0.229 10.153 ( -1.283 0.000 0.000) 1.283 10.401 ( 3.200 -0.000 0.000) 3.200 10.787 ( 0.287 -0.000 0.000) 0.287 10.805 ( 2.320 -0.000 0.000) 2.320 10.815 ( 1.743 -0.000 0.000) 1.743 11.027 ( 8.094 -0.000 0.000) 8.094 11.181 ( -4.217 0.000 0.000) 4.217 11.319 ( 0.673 -0.000 0.000) 0.673 11.385 ( 12.380 -0.000 0.000) 12.380 11.471 ( 8.089 -0.000 0.000) 8.089 11.509 ( 9.672 -0.000 0.000) 9.672 11.636 ( 1.810 -0.000 0.000) 1.810 11.845 ( -0.246 0.000 0.000) 0.246 11.948 ( 4.630 -0.000 0.000) 4.630 12.010 ( -3.720 0.000 0.000) 3.720 12.111 ( -10.007 0.000 0.000) 10.007 12.362 ( -1.908 0.000 0.000) 1.908 12.417 ( 15.198 -0.000 0.000) 15.198 12.441 ( -1.816 0.000 0.000) 1.816 12.583 ( 14.809 -0.000 0.000) 14.809 12.638 ( 14.783 -0.000 0.000) 14.783 12.642 ( -3.961 0.000 0.000) 3.961 13.095 ( -0.179 0.000 0.000) 0.179 13.211 ( 0.941 -0.000 0.000) 0.941 13.274 ( 0.105 -0.000 0.000) 0.105 13.469 ( -4.625 0.000 0.000) 4.625 13.921 ( 7.666 -0.000 0.000) 7.666 14.182 ( -10.571 0.000 0.000) 10.571 14.442 ( -2.211 0.000 0.000) 2.211 14.628 ( -5.909 0.000 0.000) 5.909 14.834 ( 0.403 -0.000 0.000) 0.403 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 34.584 -6.806 0.000) 35.247 1.483 ( 33.934 -12.144 0.000) 36.041 2.351 ( 45.460 -28.944 0.000) 53.892 3.501 ( 0.751 10.737 0.000) 10.763 3.690 ( -0.686 -0.783 0.000) 1.041 3.699 ( -4.746 9.313 0.000) 10.453 3.835 ( -4.168 -1.145 0.000) 4.322 3.880 ( 2.039 -5.505 0.000) 5.870 3.984 ( -5.934 -5.254 0.000) 7.926 4.210 ( 8.685 -7.841 0.000) 11.701 4.260 ( 2.528 -5.868 0.000) 6.390 4.614 ( -3.614 3.574 0.000) 5.083 4.645 ( -7.463 2.662 0.000) 7.924 4.821 ( -4.869 -2.255 0.000) 5.366 5.020 ( -13.793 1.328 0.000) 13.857 5.113 ( -9.161 3.851 0.000) 9.937 5.195 ( -7.545 3.948 0.000) 8.515 5.573 ( 6.227 -1.073 0.000) 6.319 5.713 ( 7.592 -0.475 0.000) 7.607 5.727 ( -1.828 7.833 0.000) 8.044 5.827 ( 4.220 2.861 0.000) 5.098 5.860 ( 5.382 3.066 0.000) 6.194 5.919 ( -6.990 2.020 0.000) 7.276 5.955 ( -3.104 1.174 0.000) 3.319 7.671 ( 10.885 -1.127 0.000) 10.943 7.754 ( 0.572 -0.416 0.000) 0.708 7.827 ( -1.913 -1.997 0.000) 2.765 7.849 ( 2.951 -2.239 0.000) 3.705 7.864 ( 1.665 -3.197 0.000) 3.605 8.200 ( 2.623 -1.733 0.000) 3.143 8.286 ( 13.755 1.340 0.000) 13.820 8.326 ( 21.343 -0.572 0.000) 21.350 8.451 ( -4.128 0.955 0.000) 4.237 8.597 ( 17.238 0.809 0.000) 17.257 8.621 ( 8.527 3.565 0.000) 9.243 8.938 ( -23.281 -0.327 0.000) 23.283 9.008 ( -25.077 2.063 0.000) 25.162 9.434 ( -41.400 1.881 0.000) 41.443 9.545 ( -36.860 -5.300 0.000) 37.239 9.909 ( 2.117 1.764 0.000) 2.755 10.130 ( 0.320 0.691 0.000) 0.762 10.207 ( 2.086 -3.861 0.000) 4.389 10.397 ( -0.681 2.667 0.000) 2.752 10.684 ( 1.927 8.671 0.000) 8.883 10.752 ( 3.615 7.737 0.000) 8.540 10.960 ( 6.603 -5.517 0.000) 8.605 11.092 ( 4.666 1.883 0.000) 5.032 11.116 ( -2.312 1.040 0.000) 2.535 11.280 ( 1.453 4.216 0.000) 4.459 11.429 ( 1.303 11.652 0.000) 11.725 11.568 ( 5.908 0.688 0.000) 5.948 11.584 ( 0.402 8.094 0.000) 8.104 11.600 ( 15.120 -3.589 0.000) 15.540 11.877 ( 0.033 -1.124 0.000) 1.125 11.925 ( -0.250 3.540 0.000) 3.548 11.991 ( -3.182 -4.131 0.000) 5.214 12.125 ( -1.478 -9.875 0.000) 9.985 12.312 ( -2.993 9.137 0.000) 9.615 12.391 ( 0.373 -3.155 0.000) 3.177 12.449 ( -3.103 1.858 0.000) 3.617 12.727 ( -9.483 -13.642 0.000) 16.614 12.816 ( 13.646 -4.170 0.000) 14.269 12.909 ( 26.437 1.037 0.000) 26.457 13.126 ( -2.987 -2.290 0.000) 3.764 13.226 ( 1.809 3.777 0.000) 4.188 13.369 ( -0.609 -13.573 0.000) 13.587 13.420 ( -7.420 -2.887 0.000) 7.962 14.040 ( -15.366 -2.394 0.000) 15.551 14.062 ( 9.643 -4.442 0.000) 10.617 14.400 ( -0.673 2.741 0.000) 2.823 14.503 ( -11.128 2.136 0.000) 11.331 14.826 ( 2.719 3.415 0.000) 4.365 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 29.696 -12.616 0.000) 32.264 2.097 ( 29.792 -15.625 0.000) 33.641 3.203 ( 13.599 -4.613 0.000) 14.361 3.244 ( -1.457 20.915 0.000) 20.965 3.505 ( 10.143 -7.971 0.000) 12.900 3.738 ( -0.584 -5.388 0.000) 5.420 3.793 ( -5.526 -3.196 0.000) 6.383 3.995 ( 0.634 -8.431 0.000) 8.454 4.083 ( -1.794 -12.063 0.000) 12.196 4.416 ( 5.087 -6.499 0.000) 8.253 4.453 ( -0.371 -3.576 0.000) 3.595 4.527 ( -8.053 0.042 0.000) 8.053 4.572 ( 11.227 -2.944 0.000) 11.606 4.781 ( -6.772 -2.219 0.000) 7.126 4.811 ( -15.926 0.664 0.000) 15.940 4.924 ( -7.257 7.408 0.000) 10.371 5.017 ( -5.160 8.350 0.000) 9.816 5.402 ( -8.400 19.269 0.000) 21.021 5.707 ( 4.562 -0.721 0.000) 4.618 5.718 ( -7.669 3.410 0.000) 8.393 5.805 ( 4.801 0.076 0.000) 4.802 5.833 ( -0.606 3.411 0.000) 3.464 5.877 ( 2.144 2.341 0.000) 3.174 5.938 ( 3.447 2.413 0.000) 4.207 7.762 ( 1.565 -1.813 0.000) 2.395 7.762 ( -1.153 -0.841 0.000) 1.427 7.847 ( -1.539 -3.209 0.000) 3.559 7.887 ( -2.425 -2.458 0.000) 3.452 8.017 ( 7.783 -5.922 0.000) 9.780 8.253 ( -0.171 -2.402 0.000) 2.408 8.370 ( -6.398 0.782 0.000) 6.446 8.384 ( 5.844 1.387 0.000) 6.006 8.550 ( 13.496 -1.270 0.000) 13.556 8.600 ( -23.234 4.503 0.000) 23.667 8.683 ( -11.804 0.829 0.000) 11.834 8.778 ( -9.222 1.142 0.000) 9.292 8.896 ( 32.704 -0.881 0.000) 32.716 8.987 ( -11.661 1.343 0.000) 11.738 9.264 ( -25.153 -8.672 0.000) 26.606 9.930 ( 4.578 1.041 0.000) 4.695 10.103 ( 5.464 6.240 0.000) 8.294 10.289 ( 0.087 -4.998 0.000) 4.999 10.307 ( -2.143 6.240 0.000) 6.597 10.586 ( 1.385 6.616 0.000) 6.759 10.689 ( 1.988 5.383 0.000) 5.738 11.074 ( -1.206 -1.736 0.000) 2.114 11.084 ( 5.642 2.160 0.000) 6.041 11.163 ( 5.666 -0.668 0.000) 5.705 11.209 ( -4.204 11.438 0.000) 12.186 11.276 ( -0.648 -2.815 0.000) 2.889 11.461 ( 2.173 8.312 0.000) 8.592 11.570 ( -1.888 1.011 0.000) 2.142 11.802 ( 0.762 6.250 0.000) 6.297 11.869 ( 13.481 -6.861 0.000) 15.127 11.902 ( -0.904 5.338 0.000) 5.414 12.055 ( -2.981 -7.162 0.000) 7.758 12.148 ( -3.672 1.639 0.000) 4.021 12.269 ( -7.192 -3.607 0.000) 8.046 12.373 ( 0.858 -2.561 0.000) 2.701 12.483 ( 6.949 -3.859 0.000) 7.948 12.789 ( -9.491 -9.321 0.000) 13.303 13.005 ( 8.379 5.000 0.000) 9.758 13.070 ( -3.005 3.831 0.000) 4.869 13.088 ( 5.257 -1.048 0.000) 5.361 13.285 ( 19.507 0.433 0.000) 19.512 13.339 ( -11.931 -1.131 0.000) 11.984 13.613 ( 1.429 -15.908 0.000) 15.972 13.888 ( -17.279 -4.522 0.000) 17.861 14.257 ( 3.314 -7.376 0.000) 8.087 14.301 ( -14.901 2.727 0.000) 15.148 14.372 ( 7.669 3.841 0.000) 8.577 14.795 ( 3.742 5.932 0.000) 7.014 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 23.788 -12.477 0.000) 26.862 2.678 ( 24.143 -14.442 0.000) 28.133 2.844 ( -1.953 26.337 0.000) 26.410 2.863 ( -9.438 23.600 0.000) 25.417 3.735 ( -4.738 -4.614 0.000) 6.614 3.829 ( 2.141 -5.134 0.000) 5.562 4.144 ( -4.094 -10.246 0.000) 11.033 4.235 ( 14.435 -16.853 0.000) 22.190 4.248 ( 2.277 -18.085 0.000) 18.228 4.392 ( -3.063 2.564 0.000) 3.994 4.434 ( -8.680 -3.592 0.000) 9.393 4.537 ( 1.714 -3.764 0.000) 4.136 4.563 ( -12.599 1.629 0.000) 12.704 4.707 ( -5.234 10.578 0.000) 11.802 4.721 ( -4.150 3.647 0.000) 5.525 4.871 ( -5.273 11.356 0.000) 12.521 4.893 ( 2.711 -0.247 0.000) 2.722 4.968 ( 8.262 4.507 0.000) 9.411 5.602 ( -7.344 -1.736 0.000) 7.546 5.717 ( -1.487 2.099 0.000) 2.573 5.798 ( 1.166 1.093 0.000) 1.598 5.840 ( 2.275 1.380 0.000) 2.661 5.850 ( 0.267 3.131 0.000) 3.143 5.931 ( 2.891 3.957 0.000) 4.901 7.729 ( -6.705 0.022 0.000) 6.705 7.786 ( -1.168 -1.007 0.000) 1.542 7.868 ( -6.048 -2.503 0.000) 6.546 7.884 ( -0.850 -3.307 0.000) 3.414 8.183 ( 4.068 -5.584 0.000) 6.908 8.188 ( -14.620 0.372 0.000) 14.625 8.245 ( -18.984 4.345 0.000) 19.475 8.315 ( -5.243 -2.702 0.000) 5.898 8.424 ( 1.901 -0.534 0.000) 1.975 8.465 ( -21.028 1.291 0.000) 21.068 8.471 ( -13.160 -1.032 0.000) 13.200 8.875 ( 28.249 0.297 0.000) 28.251 9.039 ( -7.975 -9.219 0.000) 12.190 9.252 ( 13.252 -0.143 0.000) 13.253 9.370 ( 39.493 -0.865 0.000) 39.502 9.971 ( 7.213 3.129 0.000) 7.862 10.124 ( 8.027 1.133 0.000) 8.106 10.167 ( -2.326 7.897 0.000) 8.233 10.370 ( -1.661 -6.966 0.000) 7.161 10.519 ( 0.766 3.461 0.000) 3.544 10.636 ( -0.446 2.288 0.000) 2.331 10.899 ( -0.921 16.717 0.000) 16.742 11.114 ( -1.000 -4.899 0.000) 5.000 11.128 ( -4.050 -0.100 0.000) 4.052 11.234 ( 1.323 0.203 0.000) 1.339 11.357 ( 1.201 -8.663 0.000) 8.746 11.390 ( 3.855 6.431 0.000) 7.499 11.550 ( -0.171 -1.938 0.000) 1.945 11.710 ( -0.505 11.135 0.000) 11.146 11.772 ( 3.369 5.633 0.000) 6.564 12.032 ( -14.714 4.655 0.000) 15.433 12.083 ( -6.004 -4.861 0.000) 7.725 12.121 ( 7.330 -6.784 0.000) 9.988 12.182 ( -1.946 -2.391 0.000) 3.083 12.529 ( 1.339 -8.838 0.000) 8.939 12.683 ( 11.524 -5.792 0.000) 12.898 12.765 ( -7.224 -0.839 0.000) 7.273 12.882 ( 2.474 11.064 0.000) 11.337 12.947 ( -8.062 4.150 0.000) 9.068 13.174 ( -11.112 1.933 0.000) 11.279 13.233 ( 7.594 -1.531 0.000) 7.747 13.520 ( 16.677 -0.325 0.000) 16.680 13.761 ( -15.115 -5.038 0.000) 15.933 13.877 ( 2.053 -15.320 0.000) 15.457 14.073 ( -16.909 0.472 0.000) 16.916 14.318 ( 0.076 -2.394 0.000) 2.395 14.515 ( 11.502 -2.214 0.000) 11.713 14.730 ( 3.790 8.713 0.000) 9.502 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -12.166 28.460 0.000) 30.951 2.332 ( -4.174 31.868 0.000) 32.140 3.020 ( 21.549 -10.170 0.000) 23.828 3.179 ( 19.925 -10.359 0.000) 22.457 3.771 ( -1.291 -5.177 0.000) 5.335 3.881 ( -9.406 19.526 0.000) 21.673 3.975 ( -2.824 3.981 0.000) 4.881 4.126 ( -15.383 3.935 0.000) 15.878 4.291 ( -7.692 3.082 0.000) 8.287 4.312 ( -9.680 4.028 0.000) 10.484 4.406 ( -5.409 3.978 0.000) 6.714 4.482 ( -5.123 8.936 0.000) 10.300 4.582 ( 1.763 2.341 0.000) 2.930 4.664 ( 2.573 -12.080 0.000) 12.351 4.674 ( -1.373 -12.854 0.000) 12.927 4.907 ( 12.955 -17.752 0.000) 21.976 5.064 ( 6.828 -11.649 0.000) 13.503 5.202 ( 13.736 1.091 0.000) 13.780 5.594 ( -4.495 -5.717 0.000) 7.273 5.690 ( -2.126 -3.949 0.000) 4.485 5.778 ( -0.576 2.604 0.000) 2.667 5.794 ( -0.392 3.577 0.000) 3.598 5.822 ( -1.369 1.216 0.000) 1.831 5.885 ( 1.056 5.008 0.000) 5.118 7.579 ( -13.395 2.067 0.000) 13.553 7.768 ( -3.451 -0.952 0.000) 3.580 7.836 ( -4.516 -1.968 0.000) 4.926 7.891 ( -9.735 0.022 0.000) 9.736 7.960 ( -12.737 -2.932 0.000) 13.071 8.067 ( -4.359 2.196 0.000) 4.881 8.260 ( -0.926 0.454 0.000) 1.031 8.267 ( -8.367 -1.567 0.000) 8.513 8.274 ( -6.805 2.919 0.000) 7.405 8.373 ( -4.625 -2.670 0.000) 5.341 8.446 ( 0.385 -0.322 0.000) 0.502 9.118 ( -10.418 -17.439 0.000) 20.314 9.247 ( 29.796 -1.072 0.000) 29.815 9.460 ( 23.206 5.299 0.000) 23.804 9.855 ( 33.237 -1.454 0.000) 33.269 10.019 ( -2.059 7.321 0.000) 7.605 10.042 ( 8.720 -0.462 0.000) 8.732 10.246 ( 7.865 -3.298 0.000) 8.529 10.445 ( 0.149 -2.863 0.000) 2.867 10.509 ( 1.273 -0.507 0.000) 1.371 10.641 ( -2.181 -6.953 0.000) 7.287 10.656 ( -1.084 12.191 0.000) 12.239 11.048 ( -7.079 1.546 0.000) 7.246 11.179 ( -7.082 -3.014 0.000) 7.696 11.218 ( 4.604 -2.708 0.000) 5.341 11.334 ( 3.964 7.579 0.000) 8.553 11.509 ( -1.562 10.963 0.000) 11.074 11.556 ( 4.277 -11.373 0.000) 12.151 11.630 ( 2.925 -5.010 0.000) 5.801 11.733 ( -13.879 7.567 0.000) 15.808 11.778 ( 4.141 3.645 0.000) 5.517 12.026 ( -10.932 -2.297 0.000) 11.171 12.221 ( -1.187 -4.129 0.000) 4.296 12.271 ( 0.385 -5.213 0.000) 5.227 12.545 ( -1.412 7.735 0.000) 7.863 12.615 ( -15.927 2.570 0.000) 16.133 12.737 ( -5.037 9.196 0.000) 10.485 12.855 ( 3.192 1.759 0.000) 3.645 12.875 ( 5.448 -5.008 0.000) 7.400 13.101 ( 3.429 -2.022 0.000) 3.981 13.283 ( 4.642 4.748 0.000) 6.640 13.673 ( -9.440 -3.194 0.000) 9.966 13.700 ( 11.427 -0.433 0.000) 11.435 13.898 ( -16.181 -5.042 0.000) 16.949 14.128 ( 2.191 -13.545 0.000) 13.721 14.376 ( 2.185 -2.937 0.000) 3.661 14.620 ( 3.277 10.823 0.000) 11.308 14.668 ( 8.063 -1.802 0.000) 8.262 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -9.476 32.295 0.000) 33.657 1.764 ( -2.884 35.559 0.000) 35.676 2.961 ( -12.464 48.864 0.000) 50.429 3.380 ( 16.077 -5.437 0.000) 16.971 3.649 ( 11.962 -6.386 0.000) 13.560 3.843 ( -6.026 -2.026 0.000) 6.358 3.872 ( -5.992 2.185 0.000) 6.378 3.991 ( -3.703 1.279 0.000) 3.918 4.095 ( -8.407 7.352 0.000) 11.168 4.179 ( -0.578 1.572 0.000) 1.675 4.289 ( -3.502 7.551 0.000) 8.323 4.413 ( -3.148 -8.685 0.000) 9.237 4.598 ( 2.252 -1.300 0.000) 2.600 4.908 ( 1.689 -14.165 0.000) 14.265 4.946 ( 1.601 -18.356 0.000) 18.426 5.182 ( 5.403 -7.139 0.000) 8.953 5.224 ( 5.522 9.537 0.000) 11.021 5.386 ( 4.006 -16.324 0.000) 16.809 5.608 ( -1.592 0.122 0.000) 1.597 5.703 ( -1.386 4.748 0.000) 4.946 5.718 ( -2.032 5.070 0.000) 5.462 5.788 ( 1.503 0.520 0.000) 1.590 5.826 ( -1.068 -4.947 0.000) 5.061 5.839 ( -0.625 -6.742 0.000) 6.771 7.395 ( -9.277 2.138 0.000) 9.520 7.720 ( -11.545 -0.947 0.000) 11.584 7.747 ( -1.670 -0.559 0.000) 1.761 7.819 ( -2.817 -2.035 0.000) 3.475 7.934 ( -1.061 0.704 0.000) 1.273 8.014 ( 1.333 3.723 0.000) 3.955 8.139 ( -9.511 0.159 0.000) 9.513 8.182 ( -2.297 4.465 0.000) 5.022 8.210 ( -3.410 0.309 0.000) 3.424 8.380 ( -1.450 -0.409 0.000) 1.506 8.466 ( 1.046 -1.566 0.000) 1.883 9.318 ( -5.643 -20.821 0.000) 21.572 9.610 ( 14.947 7.132 0.000) 16.561 9.613 ( 25.463 -0.866 0.000) 25.478 9.911 ( -0.706 3.772 0.000) 3.837 10.086 ( -2.513 -5.228 0.000) 5.801 10.218 ( 7.499 -1.678 0.000) 7.684 10.395 ( 10.718 -4.357 0.000) 11.570 10.495 ( 5.028 9.187 0.000) 10.472 10.544 ( 7.735 -5.239 0.000) 9.342 10.581 ( -0.792 -5.452 0.000) 5.510 10.808 ( 9.570 -8.213 0.000) 12.610 10.902 ( -10.366 3.079 0.000) 10.814 11.120 ( -7.266 -2.591 0.000) 7.714 11.238 ( 2.893 10.494 0.000) 10.885 11.368 ( -1.152 5.081 0.000) 5.210 11.377 ( 6.480 -6.577 0.000) 9.233 11.460 ( -8.391 7.370 0.000) 11.168 11.722 ( -1.396 -5.307 0.000) 5.487 11.775 ( 3.142 4.212 0.000) 5.255 11.793 ( 3.906 -9.410 0.000) 10.189 11.910 ( -12.016 -4.608 0.000) 12.870 12.242 ( -14.732 2.963 0.000) 15.027 12.271 ( 0.181 -2.871 0.000) 2.876 12.365 ( -0.793 11.595 0.000) 11.622 12.374 ( -7.382 -0.279 0.000) 7.388 12.584 ( 1.977 9.884 0.000) 10.079 12.743 ( -4.114 7.047 0.000) 8.160 13.067 ( 4.080 -10.283 0.000) 11.063 13.219 ( 1.938 7.856 0.000) 8.091 13.223 ( 6.526 -0.163 0.000) 6.528 13.642 ( -0.195 -1.618 0.000) 1.629 13.811 ( 6.458 0.558 0.000) 6.483 13.812 ( -12.236 -4.669 0.000) 13.097 14.339 ( 2.912 -9.527 0.000) 9.962 14.445 ( 0.804 -3.052 0.000) 3.156 14.498 ( 2.137 8.271 0.000) 8.543 14.770 ( 4.567 -1.346 0.000) 4.761 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 34.753 0.000) 34.753 1.179 ( 0.000 37.591 0.000) 37.591 1.993 ( 0.000 61.020 0.000) 61.020 3.533 ( -0.000 -0.201 0.000) 0.201 3.708 ( 0.000 2.471 0.000) 2.471 3.833 ( -0.000 -4.496 0.000) 4.496 3.895 ( 0.000 4.878 0.000) 4.878 3.909 ( 0.000 5.296 0.000) 5.296 3.959 ( -0.000 -3.432 0.000) 3.432 4.168 ( 0.000 1.780 0.000) 1.780 4.192 ( 0.000 1.089 0.000) 1.089 4.559 ( -0.000 -11.297 0.000) 11.297 4.660 ( -0.000 -4.407 0.000) 4.407 5.104 ( 0.000 9.386 0.000) 9.386 5.114 ( -0.000 -10.523 0.000) 10.523 5.228 ( -0.000 -15.723 0.000) 15.723 5.308 ( -0.000 -4.569 0.000) 4.569 5.583 ( 0.000 3.623 0.000) 3.623 5.596 ( 0.000 0.013 0.000) 0.013 5.608 ( 0.000 5.838 0.000) 5.838 5.638 ( -0.000 -8.700 0.000) 8.700 5.716 ( 0.000 4.500 0.000) 4.500 5.959 ( -0.000 -7.225 0.000) 7.225 5.966 ( -0.000 -8.055 0.000) 8.055 7.308 ( 0.000 1.425 0.000) 1.425 7.663 ( -0.000 -0.900 0.000) 0.900 7.737 ( 0.000 0.581 0.000) 0.581 7.836 ( -0.000 -2.027 0.000) 2.027 7.900 ( 0.000 2.391 0.000) 2.391 7.948 ( 0.000 5.931 0.000) 5.931 8.074 ( -0.000 -0.826 0.000) 0.826 8.096 ( 0.000 4.091 0.000) 4.091 8.177 ( 0.000 0.721 0.000) 0.721 8.356 ( 0.000 1.680 0.000) 1.680 8.502 ( -0.000 -1.811 0.000) 1.811 9.600 ( 0.000 5.461 0.000) 5.461 9.610 ( -0.000 -21.602 0.000) 21.602 9.803 ( 0.000 2.627 0.000) 2.627 9.883 ( -0.000 -0.052 0.000) 0.052 10.091 ( -0.000 -5.781 0.000) 5.781 10.309 ( -0.000 -5.667 0.000) 5.667 10.420 ( 0.000 7.385 0.000) 7.385 10.585 ( -0.000 -4.832 0.000) 4.832 10.655 ( -0.000 -2.189 0.000) 2.189 10.681 ( -0.000 -5.298 0.000) 5.298 10.760 ( 0.000 3.075 0.000) 3.075 11.062 ( -0.000 -6.788 0.000) 6.788 11.077 ( -0.000 -2.891 0.000) 2.891 11.116 ( 0.000 5.201 0.000) 5.201 11.301 ( 0.000 2.902 0.000) 2.902 11.324 ( 0.000 4.638 0.000) 4.638 11.496 ( -0.000 -2.471 0.000) 2.471 11.703 ( 0.000 8.270 0.000) 8.270 11.781 ( -0.000 -8.970 0.000) 8.970 11.827 ( -0.000 -1.533 0.000) 1.533 11.987 ( 0.000 8.813 0.000) 8.813 12.086 ( -0.000 -15.080 0.000) 15.080 12.181 ( 0.000 9.563 0.000) 9.563 12.329 ( -0.000 -3.153 0.000) 3.153 12.382 ( -0.000 -2.115 0.000) 2.115 12.450 ( 0.000 8.430 0.000) 8.430 12.609 ( 0.000 6.178 0.000) 6.178 13.095 ( 0.000 8.151 0.000) 8.151 13.232 ( 0.000 2.368 0.000) 2.368 13.277 ( -0.000 -11.484 0.000) 11.484 13.638 ( 0.000 10.731 0.000) 10.731 13.755 ( -0.000 -4.262 0.000) 4.262 13.837 ( 0.000 2.064 0.000) 2.064 14.444 ( 0.000 0.667 0.000) 0.667 14.457 ( 0.000 0.569 0.000) 0.569 14.507 ( -0.000 -7.783 0.000) 7.783 14.821 ( -0.000 -1.493 0.000) 1.493 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 35.827 -0.000 0.000) 35.827 1.835 ( 34.892 -0.000 0.000) 34.892 2.723 ( 48.167 -0.000 0.000) 48.167 3.571 ( 0.286 -0.000 0.000) 0.286 3.757 ( -0.530 0.000 0.000) 0.530 3.759 ( -1.834 0.000 0.000) 1.834 3.764 ( -8.189 0.000 0.000) 8.189 3.867 ( -4.872 0.000 0.000) 4.872 3.870 ( 9.373 -0.000 0.000) 9.373 4.189 ( 2.550 -0.000 0.000) 2.550 4.204 ( 0.154 -0.000 0.000) 0.154 4.498 ( -14.807 0.000 0.000) 14.807 4.612 ( -0.857 0.000 0.000) 0.857 4.791 ( -1.633 0.000 0.000) 1.633 4.822 ( -18.813 0.000 0.000) 18.813 5.035 ( -8.113 0.000 0.000) 8.113 5.130 ( -6.953 0.000 0.000) 6.953 5.648 ( 5.254 -0.000 0.000) 5.254 5.774 ( -1.844 0.000 0.000) 1.844 5.799 ( -12.705 0.000 0.000) 12.705 5.808 ( 7.308 -0.000 0.000) 7.308 5.889 ( -5.201 0.000 0.000) 5.201 5.929 ( 5.749 -0.000 0.000) 5.749 5.970 ( 6.088 -0.000 0.000) 6.088 7.719 ( 0.465 -0.000 0.000) 0.465 7.752 ( -0.575 0.000 0.000) 0.575 7.782 ( -2.374 0.000 0.000) 2.374 7.837 ( -2.409 0.000 0.000) 2.409 7.920 ( 9.030 -0.000 0.000) 9.030 8.201 ( 0.083 -0.000 0.000) 0.083 8.388 ( -7.971 0.000 0.000) 7.971 8.429 ( -5.632 0.000 0.000) 5.632 8.508 ( 21.616 -0.000 0.000) 21.616 8.708 ( -13.483 0.000 0.000) 13.483 8.723 ( -24.652 0.000 0.000) 24.652 8.768 ( -3.129 0.000 0.000) 3.129 8.880 ( 32.361 -0.000 0.000) 32.361 8.988 ( -33.131 0.000 0.000) 33.131 9.129 ( -7.880 0.000 0.000) 7.880 9.937 ( 1.149 -0.000 0.000) 1.149 10.115 ( -0.268 0.000 0.000) 0.268 10.214 ( 4.588 -0.000 0.000) 4.588 10.405 ( -1.519 0.000 0.000) 1.519 10.782 ( -0.940 0.000 0.000) 0.940 10.842 ( 1.036 -0.000 0.000) 1.036 10.972 ( 6.453 -0.000 0.000) 6.453 11.033 ( -8.263 0.000 0.000) 8.263 11.155 ( 3.928 -0.000 0.000) 3.928 11.330 ( 0.196 -0.000 0.000) 0.196 11.560 ( 0.736 -0.000 0.000) 0.736 11.688 ( 2.787 -0.000 0.000) 2.787 11.720 ( 0.008 -0.000 0.000) 0.008 11.750 ( 13.884 -0.000 0.000) 13.884 11.832 ( -0.279 0.000 0.000) 0.279 11.889 ( -7.482 0.000 0.000) 7.482 12.011 ( 11.412 -0.000 0.000) 11.412 12.083 ( 5.339 -0.000 0.000) 5.339 12.238 ( -8.591 0.000 0.000) 8.591 12.284 ( -10.257 0.000 0.000) 10.257 12.448 ( -2.517 0.000 0.000) 2.517 12.568 ( -1.127 0.000 0.000) 1.127 12.939 ( 11.528 -0.000 0.000) 11.528 13.091 ( -0.098 0.000 0.000) 0.098 13.210 ( 12.981 -0.000 0.000) 12.981 13.214 ( -0.799 0.000 0.000) 0.799 13.328 ( 11.526 -0.000 0.000) 11.526 13.332 ( -5.820 0.000 0.000) 5.820 13.809 ( -18.954 0.000 0.000) 18.954 14.122 ( 6.427 -0.000 0.000) 6.427 14.352 ( -15.755 0.000 0.000) 15.755 14.441 ( 3.830 -0.000 0.000) 3.830 14.890 ( 3.195 -0.000 0.000) 3.195 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 32.939 -2.836 0.000) 33.061 2.321 ( 33.273 -6.653 0.000) 33.932 3.380 ( 31.996 -7.712 0.000) 32.913 3.549 ( 2.509 10.004 0.000) 10.314 3.599 ( -1.379 10.895 0.000) 10.982 3.678 ( -4.966 -3.364 0.000) 5.998 3.683 ( 0.671 2.638 0.000) 2.722 3.904 ( -0.100 -8.399 0.000) 8.400 3.907 ( -0.454 0.293 0.000) 0.541 4.314 ( -5.649 -6.903 0.000) 8.919 4.323 ( -9.806 -6.894 0.000) 11.987 4.357 ( 1.673 -10.702 0.000) 10.832 4.573 ( -21.134 -0.460 0.000) 21.139 4.639 ( 6.695 -2.999 0.000) 7.337 4.754 ( -1.443 1.957 0.000) 2.432 4.917 ( -6.840 3.324 0.000) 7.604 5.032 ( -5.359 2.869 0.000) 6.078 5.561 ( -6.571 12.731 0.000) 14.327 5.610 ( -15.117 1.044 0.000) 15.153 5.749 ( 0.848 -0.085 0.000) 0.853 5.852 ( -0.071 0.964 0.000) 0.966 5.880 ( 5.165 0.864 0.000) 5.237 5.967 ( 4.197 3.252 0.000) 5.310 6.026 ( 4.827 1.733 0.000) 5.128 7.728 ( -3.374 0.192 0.000) 3.379 7.729 ( -0.967 -1.882 0.000) 2.116 7.777 ( -1.987 -2.649 0.000) 3.311 7.783 ( -8.599 -1.848 0.000) 8.795 8.036 ( 5.692 -2.923 0.000) 6.399 8.183 ( -10.276 -0.495 0.000) 10.288 8.219 ( -17.883 -1.574 0.000) 17.952 8.348 ( -6.088 -2.007 0.000) 6.411 8.413 ( -16.317 5.071 0.000) 17.087 8.511 ( -18.570 0.829 0.000) 18.588 8.551 ( -5.182 3.951 0.000) 6.517 8.745 ( -19.178 -7.285 0.000) 20.515 8.844 ( 26.032 -2.638 0.000) 26.166 9.308 ( 25.031 1.294 0.000) 25.065 9.336 ( 37.870 -1.008 0.000) 37.883 9.969 ( 2.710 -1.471 0.000) 3.083 10.119 ( -0.706 -1.074 0.000) 1.285 10.276 ( 2.565 -0.342 0.000) 2.587 10.356 ( -2.037 3.389 0.000) 3.953 10.704 ( -0.538 6.542 0.000) 6.564 10.799 ( -0.716 5.385 0.000) 5.432 10.966 ( -7.639 -4.933 0.000) 9.093 11.071 ( 1.634 -3.298 0.000) 3.681 11.214 ( 4.847 -0.956 0.000) 4.940 11.303 ( 0.496 3.001 0.000) 3.042 11.441 ( 0.923 14.249 0.000) 14.279 11.615 ( 1.327 8.592 0.000) 8.694 11.631 ( -2.553 5.114 0.000) 5.716 11.849 ( -1.963 -0.514 0.000) 2.029 11.878 ( -1.102 -3.753 0.000) 3.911 11.926 ( 9.418 -3.390 0.000) 10.010 12.011 ( 1.529 3.252 0.000) 3.593 12.118 ( -10.659 3.430 0.000) 11.198 12.152 ( -0.936 -2.469 0.000) 2.641 12.385 ( -0.259 2.666 0.000) 2.678 12.407 ( 4.200 -13.955 0.000) 14.573 12.597 ( 0.460 -3.909 0.000) 3.936 13.087 ( -0.741 0.994 0.000) 1.239 13.093 ( 7.591 -5.050 0.000) 9.117 13.192 ( 1.588 5.992 0.000) 6.199 13.239 ( -6.739 2.730 0.000) 7.271 13.339 ( -0.898 -12.192 0.000) 12.225 13.546 ( 17.093 -0.641 0.000) 17.105 13.592 ( -19.615 -3.863 0.000) 19.992 14.123 ( -18.990 1.474 0.000) 19.047 14.210 ( 2.703 -3.321 0.000) 4.282 14.507 ( 8.273 0.609 0.000) 8.295 14.907 ( 3.196 2.829 0.000) 4.268 ======================= Grid point 21 (15/84) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 28.406 -4.771 0.000) 28.804 2.829 ( 28.185 -8.505 0.000) 29.440 3.161 ( -3.240 24.262 0.000) 24.478 3.273 ( 3.372 26.382 0.000) 26.596 3.602 ( -4.688 -4.241 0.000) 6.321 3.752 ( 1.503 -6.806 0.000) 6.970 3.934 ( -5.485 -7.750 0.000) 9.494 3.998 ( -2.099 -13.308 0.000) 13.473 4.145 ( -13.792 -5.892 0.000) 14.998 4.220 ( 19.829 -17.172 0.000) 26.231 4.304 ( -18.605 -1.098 0.000) 18.637 4.440 ( -1.944 -0.892 0.000) 2.139 4.520 ( 3.793 -8.507 0.000) 9.315 4.712 ( -1.150 1.173 0.000) 1.642 4.765 ( -5.428 6.527 0.000) 8.489 4.917 ( 11.553 -11.719 0.000) 16.456 4.924 ( -2.179 3.377 0.000) 4.019 5.185 ( -7.781 21.618 0.000) 22.976 5.433 ( -14.318 -3.024 0.000) 14.634 5.717 ( -3.683 2.198 0.000) 4.289 5.849 ( 2.554 2.027 0.000) 3.261 5.905 ( 2.862 2.538 0.000) 3.825 5.934 ( 1.746 5.395 0.000) 5.670 6.033 ( 3.205 3.824 0.000) 4.989 7.641 ( -9.061 1.775 0.000) 9.233 7.688 ( -10.041 -2.938 0.000) 10.462 7.763 ( -1.306 -3.017 0.000) 3.288 7.808 ( -1.719 -4.172 0.000) 4.512 7.912 ( -22.562 -0.232 0.000) 22.564 8.060 ( -13.727 -1.388 0.000) 13.797 8.150 ( 3.302 -4.697 0.000) 5.742 8.271 ( -1.940 1.308 0.000) 2.340 8.340 ( -2.144 -1.853 0.000) 2.834 8.364 ( -5.452 2.215 0.000) 5.885 8.450 ( -2.710 2.075 0.000) 3.413 8.686 ( -11.918 -10.237 0.000) 15.712 9.222 ( 28.576 -1.912 0.000) 28.640 9.597 ( 25.471 2.931 0.000) 25.640 9.809 ( 32.911 -1.910 0.000) 32.966 10.046 ( 6.066 -1.108 0.000) 6.166 10.130 ( -2.109 -2.781 0.000) 3.490 10.255 ( -1.760 6.420 0.000) 6.657 10.281 ( -1.459 -1.331 0.000) 1.975 10.596 ( -0.775 5.930 0.000) 5.981 10.688 ( -4.080 4.084 0.000) 5.773 10.981 ( -5.508 -6.323 0.000) 8.385 11.067 ( -4.017 2.413 0.000) 4.686 11.195 ( 1.350 17.636 0.000) 17.688 11.250 ( 2.126 1.864 0.000) 2.827 11.349 ( 7.015 -3.569 0.000) 7.870 11.524 ( 1.881 5.805 0.000) 6.102 11.558 ( -0.023 1.341 0.000) 1.341 11.835 ( 0.497 0.942 0.000) 1.065 11.864 ( -1.001 6.767 0.000) 6.841 11.919 ( -11.381 3.181 0.000) 11.817 11.962 ( -5.830 -0.699 0.000) 5.872 12.095 ( 3.755 -5.731 0.000) 6.852 12.112 ( -4.381 -0.818 0.000) 4.457 12.438 ( 2.577 -5.551 0.000) 6.120 12.544 ( -7.747 -4.585 0.000) 9.002 12.778 ( 15.259 -6.621 0.000) 16.634 13.024 ( -0.131 6.590 0.000) 6.591 13.078 ( 1.573 10.030 0.000) 10.152 13.100 ( -6.062 2.627 0.000) 6.607 13.271 ( 6.813 -4.975 0.000) 8.436 13.465 ( -15.372 -7.693 0.000) 17.189 13.561 ( -1.796 -17.856 0.000) 17.946 13.726 ( 10.408 -0.508 0.000) 10.421 13.853 ( -20.658 1.108 0.000) 20.688 14.284 ( 1.642 -3.165 0.000) 3.565 14.621 ( 8.355 -1.238 0.000) 8.447 14.880 ( 2.704 5.454 0.000) 6.087 ======================= Grid point 22 (16/84) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -3.968 28.772 0.000) 29.044 2.807 ( 0.556 30.961 0.000) 30.966 3.211 ( 25.875 -4.926 0.000) 26.340 3.318 ( 23.847 -7.024 0.000) 24.860 3.648 ( -1.879 -7.025 0.000) 7.272 3.867 ( -9.456 -5.561 0.000) 10.970 3.876 ( -22.751 -1.937 0.000) 22.834 3.911 ( -5.242 -2.176 0.000) 5.676 4.196 ( -7.108 -6.510 0.000) 9.639 4.231 ( -2.273 -9.158 0.000) 9.436 4.464 ( 1.766 -2.531 0.000) 3.086 4.558 ( 2.946 -2.577 0.000) 3.914 4.581 ( -5.365 9.639 0.000) 11.032 4.648 ( -4.898 25.875 0.000) 26.335 4.655 ( -0.722 3.146 0.000) 3.228 4.805 ( 13.434 -15.907 0.000) 20.821 4.960 ( 1.340 -8.076 0.000) 8.187 5.298 ( 11.102 -11.740 0.000) 16.158 5.387 ( -8.537 -10.084 0.000) 13.212 5.608 ( -6.159 3.314 0.000) 6.994 5.831 ( 0.897 3.335 0.000) 3.454 5.849 ( -0.034 5.605 0.000) 5.605 5.881 ( 0.779 4.201 0.000) 4.272 5.988 ( 1.398 5.578 0.000) 5.750 7.480 ( -8.426 3.156 0.000) 8.997 7.641 ( -6.074 -4.497 0.000) 7.557 7.691 ( -12.705 -0.538 0.000) 12.716 7.789 ( -0.622 -1.597 0.000) 1.713 7.862 ( -1.126 -4.716 0.000) 4.849 7.991 ( -4.457 -2.879 0.000) 5.306 8.224 ( -1.620 2.686 0.000) 3.136 8.255 ( 2.054 -3.757 0.000) 4.282 8.272 ( -2.787 3.104 0.000) 4.171 8.309 ( -2.324 1.140 0.000) 2.588 8.437 ( -0.242 -1.436 0.000) 1.457 8.770 ( -5.082 -14.102 0.000) 14.990 9.591 ( 26.874 -0.769 0.000) 26.885 9.814 ( 17.751 4.878 0.000) 18.409 10.029 ( 0.545 2.482 0.000) 2.541 10.119 ( -5.799 -7.585 0.000) 9.548 10.123 ( -0.997 8.177 0.000) 8.238 10.251 ( 16.121 -1.303 0.000) 16.174 10.352 ( 0.581 -7.192 0.000) 7.216 10.516 ( -1.114 2.414 0.000) 2.658 10.641 ( 5.344 -1.967 0.000) 5.694 10.887 ( 1.350 15.579 0.000) 15.637 10.984 ( -9.713 -5.317 0.000) 11.073 11.004 ( -6.015 4.785 0.000) 7.686 11.291 ( 8.120 -0.095 0.000) 8.121 11.467 ( 1.664 4.840 0.000) 5.118 11.513 ( 6.503 -5.861 0.000) 8.754 11.588 ( 0.246 -3.465 0.000) 3.474 11.670 ( -3.277 10.596 0.000) 11.091 11.701 ( -6.792 8.797 0.000) 11.114 11.860 ( -10.689 -0.259 0.000) 10.692 11.863 ( 2.358 1.451 0.000) 2.769 12.128 ( -1.680 -4.860 0.000) 5.142 12.201 ( 0.357 -4.889 0.000) 4.902 12.414 ( -12.945 2.622 0.000) 13.208 12.551 ( 0.449 -4.848 0.000) 4.868 12.911 ( 2.657 9.482 0.000) 9.847 12.948 ( 1.400 5.707 0.000) 5.876 12.954 ( 2.112 7.551 0.000) 7.841 13.143 ( 13.866 -6.035 0.000) 15.122 13.373 ( 3.265 0.446 0.000) 3.295 13.454 ( -8.039 -9.866 0.000) 12.727 13.608 ( -19.857 -3.352 0.000) 20.138 13.800 ( 5.693 -3.454 0.000) 6.659 13.859 ( -1.716 -16.133 0.000) 16.224 14.357 ( 1.716 -3.410 0.000) 3.817 14.729 ( 4.821 -1.671 0.000) 5.102 14.801 ( 1.632 8.356 0.000) 8.514 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.000 32.295 0.000) 32.295 2.298 ( 0.000 34.610 0.000) 34.610 3.513 ( -0.000 -1.760 0.000) 1.760 3.547 ( 0.000 28.480 0.000) 28.480 3.649 ( -0.000 -6.919 0.000) 6.919 3.680 ( -0.000 -2.722 0.000) 2.722 3.760 ( -0.000 -8.425 0.000) 8.425 3.931 ( 0.000 1.224 0.000) 1.224 4.206 ( 0.000 8.656 0.000) 8.656 4.216 ( -0.000 -0.324 0.000) 0.324 4.278 ( 0.000 2.846 0.000) 2.846 4.420 ( 0.000 10.001 0.000) 10.001 4.612 ( 0.000 1.387 0.000) 1.387 4.672 ( -0.000 -16.825 0.000) 16.825 4.695 ( -0.000 -13.251 0.000) 13.251 5.094 ( -0.000 -8.633 0.000) 8.633 5.158 ( -0.000 -16.757 0.000) 16.757 5.417 ( 0.000 9.870 0.000) 9.870 5.514 ( -0.000 -10.394 0.000) 10.394 5.620 ( -0.000 -14.158 0.000) 14.158 5.772 ( 0.000 4.702 0.000) 4.702 5.783 ( 0.000 1.515 0.000) 1.515 5.805 ( 0.000 6.021 0.000) 6.021 5.901 ( 0.000 6.511 0.000) 6.511 7.376 ( 0.000 2.970 0.000) 2.970 7.626 ( -0.000 -1.238 0.000) 1.238 7.679 ( -0.000 -4.791 0.000) 4.791 7.796 ( 0.000 0.003 0.000) 0.003 7.917 ( -0.000 -2.698 0.000) 2.698 8.008 ( -0.000 -2.694 0.000) 2.694 8.144 ( 0.000 5.612 0.000) 5.612 8.215 ( 0.000 2.028 0.000) 2.028 8.237 ( 0.000 3.907 0.000) 3.907 8.343 ( -0.000 -3.672 0.000) 3.672 8.454 ( -0.000 -0.832 0.000) 0.832 8.986 ( -0.000 -17.741 0.000) 17.741 9.834 ( 0.000 7.744 0.000) 7.744 9.855 ( 0.000 1.138 0.000) 1.138 9.925 ( -0.000 -2.900 0.000) 2.900 9.994 ( 0.000 7.189 0.000) 7.189 10.189 ( -0.000 -4.758 0.000) 4.758 10.374 ( -0.000 -4.984 0.000) 4.984 10.472 ( -0.000 -7.919 0.000) 7.919 10.508 ( -0.000 -2.469 0.000) 2.469 10.693 ( 0.000 11.694 0.000) 11.694 10.880 ( 0.000 4.165 0.000) 4.165 10.881 ( -0.000 -9.610 0.000) 9.610 10.913 ( -0.000 -2.349 0.000) 2.349 11.409 ( -0.000 -2.734 0.000) 2.734 11.412 ( 0.000 4.101 0.000) 4.101 11.464 ( 0.000 13.737 0.000) 13.737 11.522 ( 0.000 7.373 0.000) 7.373 11.601 ( -0.000 -2.993 0.000) 2.993 11.684 ( -0.000 -9.604 0.000) 9.604 11.788 ( -0.000 -0.712 0.000) 0.712 11.848 ( 0.000 2.745 0.000) 2.745 12.197 ( -0.000 -5.105 0.000) 5.105 12.230 ( 0.000 6.531 0.000) 6.531 12.279 ( -0.000 -4.443 0.000) 4.443 12.534 ( 0.000 7.825 0.000) 7.825 12.774 ( 0.000 11.448 0.000) 11.448 12.830 ( 0.000 7.345 0.000) 7.345 12.952 ( -0.000 -5.704 0.000) 5.704 13.304 ( 0.000 2.272 0.000) 2.272 13.342 ( 0.000 5.630 0.000) 5.630 13.548 ( -0.000 -9.208 0.000) 9.208 13.584 ( -0.000 -11.114 0.000) 11.114 13.847 ( -0.000 -0.428 0.000) 0.428 14.127 ( -0.000 -16.945 0.000) 16.945 14.420 ( -0.000 -2.962 0.000) 2.962 14.664 ( 0.000 10.469 0.000) 10.469 14.782 ( -0.000 -1.239 0.000) 1.239 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 30.481 -0.000 0.000) 30.481 2.683 ( 32.283 -0.000 0.000) 32.283 3.561 ( -6.612 0.000 0.000) 6.612 3.577 ( 0.274 -0.000 0.000) 0.274 3.682 ( 11.568 -0.000 0.000) 11.568 3.730 ( -0.562 0.000 0.000) 0.562 3.770 ( -4.156 0.000 0.000) 4.156 3.840 ( 23.352 -0.000 0.000) 23.352 4.068 ( -18.834 0.000 0.000) 18.834 4.097 ( 7.975 -0.000 0.000) 7.975 4.179 ( -2.240 0.000 0.000) 2.240 4.225 ( 2.903 -0.000 0.000) 2.903 4.284 ( -24.037 0.000 0.000) 24.037 4.677 ( 4.696 -0.000 0.000) 4.696 4.755 ( -1.144 0.000 0.000) 1.144 4.868 ( -5.132 0.000 0.000) 5.132 4.995 ( -3.798 0.000 0.000) 3.798 5.396 ( -19.717 0.000 0.000) 19.717 5.598 ( -6.637 0.000 0.000) 6.637 5.713 ( -2.637 0.000 0.000) 2.637 5.886 ( 3.103 -0.000 0.000) 3.103 5.941 ( 3.325 -0.000 0.000) 3.325 6.047 ( 3.617 -0.000 0.000) 3.617 6.094 ( 3.689 -0.000 0.000) 3.689 7.637 ( -11.198 0.000 0.000) 11.198 7.676 ( -6.726 0.000 0.000) 6.726 7.702 ( -0.776 0.000 0.000) 0.776 7.729 ( -1.771 0.000 0.000) 1.771 7.909 ( -21.071 0.000 0.000) 21.071 8.032 ( -16.546 0.000 0.000) 16.546 8.067 ( 3.232 -0.000 0.000) 3.232 8.293 ( -0.096 0.000 0.000) 0.096 8.334 ( -5.822 0.000 0.000) 5.822 8.368 ( -4.276 0.000 0.000) 4.276 8.515 ( -5.440 0.000 0.000) 5.440 8.518 ( -9.641 0.000 0.000) 9.641 9.151 ( 25.956 -0.000 0.000) 25.956 9.640 ( 25.325 -0.000 0.000) 25.325 9.773 ( 33.364 -0.000 0.000) 33.364 9.987 ( 3.808 -0.000 0.000) 3.808 10.111 ( 0.151 -0.000 0.000) 0.151 10.322 ( 3.231 -0.000 0.000) 3.231 10.359 ( -1.733 0.000 0.000) 1.733 10.733 ( -3.086 0.000 0.000) 3.086 10.739 ( -16.000 0.000 0.000) 16.000 10.872 ( 1.303 -0.000 0.000) 1.303 11.077 ( 2.329 -0.000 0.000) 2.329 11.270 ( 5.908 -0.000 0.000) 5.908 11.329 ( -0.252 0.000 0.000) 0.252 11.549 ( -1.344 0.000 0.000) 1.344 11.607 ( -4.774 0.000 0.000) 4.774 11.756 ( 1.646 -0.000 0.000) 1.646 11.757 ( -2.958 0.000 0.000) 2.958 11.862 ( 3.466 -0.000 0.000) 3.466 11.968 ( -8.992 0.000 0.000) 8.992 11.983 ( -12.558 0.000 0.000) 12.558 11.995 ( 1.978 -0.000 0.000) 1.978 12.142 ( -1.558 0.000 0.000) 1.558 12.408 ( 0.141 -0.000 0.000) 0.141 12.488 ( 22.482 -0.000 0.000) 22.482 12.586 ( 2.549 -0.000 0.000) 2.549 13.070 ( -0.733 0.000 0.000) 0.733 13.090 ( -0.162 0.000 0.000) 0.162 13.212 ( -3.229 0.000 0.000) 3.229 13.230 ( 2.848 -0.000 0.000) 2.848 13.282 ( 0.974 -0.000 0.000) 0.974 13.307 ( -19.436 0.000 0.000) 19.436 13.731 ( 12.404 -0.000 0.000) 12.404 13.883 ( -21.270 0.000 0.000) 21.270 14.217 ( 2.330 -0.000 0.000) 2.330 14.602 ( 6.692 -0.000 0.000) 6.692 14.962 ( 2.273 -0.000 0.000) 2.273 ======================= Grid point 29 (19/84) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 26.197 -2.300 0.000) 26.298 3.082 ( 25.922 -3.501 0.000) 26.158 3.461 ( -6.899 14.120 0.000) 15.715 3.528 ( 0.618 4.213 0.000) 4.258 3.596 ( 1.180 1.617 0.000) 2.001 3.729 ( 2.451 1.840 0.000) 3.065 3.816 ( -7.560 -1.714 0.000) 7.752 3.846 ( -11.660 -8.059 0.000) 14.174 3.854 ( -3.921 13.980 0.000) 14.519 4.009 ( -20.760 -2.865 0.000) 20.957 4.265 ( 12.623 -13.648 0.000) 18.590 4.383 ( 0.712 -7.680 0.000) 7.713 4.420 ( 14.360 -9.223 0.000) 17.067 4.731 ( -0.431 1.662 0.000) 1.717 4.790 ( -2.951 3.583 0.000) 4.642 4.824 ( 5.383 -12.039 0.000) 13.187 4.941 ( -1.887 2.247 0.000) 2.934 5.167 ( -19.142 -3.559 0.000) 19.470 5.397 ( -4.795 15.008 0.000) 15.756 5.697 ( -2.159 -0.090 0.000) 2.161 5.907 ( 1.830 1.475 0.000) 2.350 5.961 ( 1.520 1.180 0.000) 1.924 6.043 ( 1.693 4.770 0.000) 5.061 6.113 ( 1.916 2.126 0.000) 2.862 7.535 ( -6.984 -1.944 0.000) 7.250 7.555 ( -8.966 1.146 0.000) 9.039 7.712 ( -0.436 -2.176 0.000) 2.220 7.717 ( -9.063 2.145 0.000) 9.314 7.732 ( -1.832 -2.604 0.000) 3.184 7.886 ( -8.189 -3.382 0.000) 8.860 8.119 ( 1.528 -2.972 0.000) 3.342 8.283 ( -0.328 1.644 0.000) 1.677 8.326 ( 2.668 -1.350 0.000) 2.990 8.343 ( -1.818 0.714 0.000) 1.953 8.434 ( -4.400 1.973 0.000) 4.822 8.465 ( -5.010 -5.281 0.000) 7.279 9.469 ( 18.339 -5.367 0.000) 19.108 9.903 ( 17.515 1.243 0.000) 17.559 10.040 ( 8.540 2.592 0.000) 8.925 10.096 ( 1.691 -1.339 0.000) 2.157 10.185 ( 19.746 -3.628 0.000) 20.077 10.286 ( -3.485 5.506 0.000) 6.516 10.315 ( -1.007 3.452 0.000) 3.595 10.566 ( -14.477 -4.046 0.000) 15.031 10.656 ( -2.939 4.167 0.000) 5.099 10.891 ( -0.130 -0.723 0.000) 0.734 11.075 ( -0.341 2.549 0.000) 2.572 11.315 ( 1.895 1.128 0.000) 2.205 11.375 ( 6.442 -2.912 0.000) 7.070 11.460 ( -0.245 11.172 0.000) 11.175 11.552 ( -1.875 0.706 0.000) 2.003 11.626 ( 0.026 8.354 0.000) 8.354 11.793 ( -1.724 -1.901 0.000) 2.566 11.843 ( -6.780 0.510 0.000) 6.799 11.845 ( -10.875 -1.470 0.000) 10.974 11.938 ( 3.817 -0.757 0.000) 3.891 12.050 ( 1.059 -3.313 0.000) 3.478 12.072 ( -4.952 3.391 0.000) 6.002 12.419 ( 1.449 -0.959 0.000) 1.738 12.543 ( 2.742 6.520 0.000) 7.073 12.858 ( 17.207 -9.391 0.000) 19.603 13.063 ( -2.755 0.946 0.000) 2.913 13.126 ( -1.170 1.419 0.000) 1.839 13.186 ( 0.675 -14.563 0.000) 14.578 13.193 ( -8.383 -2.842 0.000) 8.852 13.216 ( 0.646 5.664 0.000) 5.701 13.325 ( 0.183 -4.856 0.000) 4.859 13.611 ( -20.252 1.314 0.000) 20.295 13.842 ( 6.127 0.662 0.000) 6.163 14.259 ( 1.269 -2.307 0.000) 2.633 14.677 ( 4.028 -1.129 0.000) 4.183 14.965 ( 1.284 2.440 0.000) 2.758 ======================= Grid point 30 (20/84) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.000 25.895 0.000) 25.895 3.230 ( 0.000 17.270 0.000) 17.270 3.354 ( -0.000 -7.664 0.000) 7.664 3.502 ( 0.000 6.225 0.000) 6.225 3.581 ( -0.000 -2.603 0.000) 2.603 3.617 ( 0.000 0.192 0.000) 0.192 3.653 ( -0.000 -3.481 0.000) 3.481 3.818 ( -0.000 -5.661 0.000) 5.661 3.989 ( -0.000 -10.517 0.000) 10.517 4.023 ( -0.000 -13.996 0.000) 13.996 4.441 ( -0.000 -1.436 0.000) 1.436 4.515 ( -0.000 -9.162 0.000) 9.162 4.687 ( 0.000 7.190 0.000) 7.190 4.693 ( 0.000 2.775 0.000) 2.775 4.707 ( -0.000 -10.766 0.000) 10.766 4.901 ( 0.000 0.225 0.000) 0.225 5.045 ( 0.000 25.650 0.000) 25.650 5.112 ( -0.000 -17.852 0.000) 17.852 5.137 ( -0.000 -10.664 0.000) 10.664 5.649 ( 0.000 4.266 0.000) 4.266 5.886 ( 0.000 2.645 0.000) 2.645 5.941 ( 0.000 2.701 0.000) 2.701 5.955 ( 0.000 7.220 0.000) 7.220 6.075 ( 0.000 4.239 0.000) 4.239 7.471 ( 0.000 2.311 0.000) 2.311 7.535 ( -0.000 -3.735 0.000) 3.735 7.618 ( 0.000 1.572 0.000) 1.572 7.751 ( -0.000 -2.812 0.000) 2.812 7.778 ( -0.000 -4.585 0.000) 4.585 7.906 ( -0.000 -4.194 0.000) 4.194 8.191 ( -0.000 -4.893 0.000) 4.893 8.257 ( 0.000 2.000 0.000) 2.000 8.297 ( 0.000 2.717 0.000) 2.717 8.344 ( 0.000 3.537 0.000) 3.537 8.396 ( -0.000 -2.873 0.000) 2.873 8.555 ( -0.000 -9.924 0.000) 9.924 9.741 ( -0.000 -10.868 0.000) 10.868 9.981 ( 0.000 6.211 0.000) 6.211 9.992 ( 0.000 2.725 0.000) 2.725 10.107 ( 0.000 6.307 0.000) 6.307 10.221 ( -0.000 -7.329 0.000) 7.329 10.232 ( 0.000 6.383 0.000) 6.383 10.388 ( 0.000 1.027 0.000) 1.027 10.562 ( 0.000 4.722 0.000) 4.722 10.562 ( -0.000 -10.030 0.000) 10.030 10.886 ( 0.000 0.080 0.000) 0.080 11.011 ( 0.000 4.256 0.000) 4.256 11.201 ( 0.000 19.580 0.000) 19.580 11.344 ( -0.000 -1.388 0.000) 1.388 11.477 ( -0.000 -4.054 0.000) 4.054 11.538 ( 0.000 4.040 0.000) 4.040 11.555 ( -0.000 -0.959 0.000) 0.959 11.725 ( 0.000 5.119 0.000) 5.119 11.770 ( -0.000 -0.782 0.000) 0.782 11.835 ( 0.000 2.598 0.000) 2.598 11.901 ( 0.000 6.117 0.000) 6.117 12.042 ( -0.000 -4.461 0.000) 4.461 12.122 ( -0.000 -5.117 0.000) 5.117 12.432 ( 0.000 7.541 0.000) 7.541 12.472 ( -0.000 -4.639 0.000) 4.639 13.018 ( 0.000 3.962 0.000) 3.962 13.080 ( 0.000 6.858 0.000) 6.858 13.101 ( 0.000 9.003 0.000) 9.003 13.191 ( -0.000 -10.345 0.000) 10.345 13.206 ( -0.000 -11.786 0.000) 11.786 13.376 ( -0.000 -2.714 0.000) 2.714 13.403 ( 0.000 2.969 0.000) 2.969 13.501 ( -0.000 -21.965 0.000) 21.965 13.863 ( 0.000 1.253 0.000) 1.253 14.313 ( -0.000 -3.394 0.000) 3.394 14.729 ( -0.000 -1.977 0.000) 1.977 14.915 ( 0.000 5.173 0.000) 5.173 ======================= Grid point 38 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 -0.000 0.000) 0.000 3.257 ( 0.000 -0.000 0.000) 0.000 3.484 ( 0.000 -0.000 0.000) 0.000 3.544 ( -0.000 0.000 0.000) 0.000 3.589 ( -0.000 0.000 0.000) 0.000 3.718 ( 0.000 -0.000 0.000) 0.000 3.725 ( 0.000 -0.000 0.000) 0.000 3.803 ( 0.000 -0.000 0.000) 0.000 3.815 ( 0.000 -0.000 0.000) 0.000 4.142 ( 0.000 -0.000 0.000) 0.000 4.149 ( 0.000 -0.000 0.000) 0.000 4.207 ( 0.000 -0.000 0.000) 0.000 4.538 ( 0.000 -0.000 0.000) 0.000 4.743 ( 0.000 -0.000 0.000) 0.000 4.752 ( 0.000 -0.000 0.000) 0.000 4.800 ( 0.000 -0.000 0.000) 0.000 4.947 ( 0.000 -0.000 0.000) 0.000 4.959 ( 0.000 -0.000 0.000) 0.000 5.494 ( 0.000 -0.000 0.000) 0.000 5.674 ( 0.000 -0.000 0.000) 0.000 5.931 ( 0.000 -0.000 0.000) 0.000 5.980 ( 0.000 -0.000 0.000) 0.000 6.094 ( 0.000 -0.000 0.000) 0.000 6.141 ( 0.000 -0.000 0.000) 0.000 7.475 ( 0.000 -0.000 0.000) 0.000 7.497 ( 0.000 -0.000 0.000) 0.000 7.692 ( 0.000 -0.000 0.000) 0.000 7.699 ( 0.000 -0.000 0.000) 0.000 7.705 ( 0.000 -0.000 0.000) 0.000 7.788 ( 0.000 -0.000 0.000) 0.000 8.104 ( 0.000 -0.000 0.000) 0.000 8.297 ( 0.000 -0.000 0.000) 0.000 8.337 ( 0.000 -0.000 0.000) 0.000 8.345 ( 0.000 -0.000 0.000) 0.000 8.386 ( 0.000 -0.000 0.000) 0.000 8.418 ( -0.000 0.000 0.000) 0.000 9.527 ( 0.000 -0.000 0.000) 0.000 10.029 ( 0.000 -0.000 0.000) 0.000 10.087 ( 0.000 -0.000 0.000) 0.000 10.223 ( 0.000 -0.000 0.000) 0.000 10.291 ( 0.000 -0.000 0.000) 0.000 10.317 ( -0.000 0.000 0.000) 0.000 10.333 ( -0.000 0.000 0.000) 0.000 10.336 ( 0.000 -0.000 0.000) 0.000 10.663 ( 0.000 -0.000 0.000) 0.000 10.892 ( 0.000 -0.000 0.000) 0.000 11.103 ( 0.000 -0.000 0.000) 0.000 11.324 ( 0.000 -0.000 0.000) 0.000 11.407 ( 0.000 -0.000 0.000) 0.000 11.517 ( 0.000 -0.000 0.000) 0.000 11.546 ( 0.000 -0.000 0.000) 0.000 11.750 ( 0.000 -0.000 0.000) 0.000 11.757 ( 0.000 -0.000 0.000) 0.000 11.767 ( -0.000 0.000 0.000) 0.000 11.770 ( 0.000 -0.000 0.000) 0.000 11.952 ( 0.000 -0.000 0.000) 0.000 12.027 ( 0.000 -0.000 0.000) 0.000 12.073 ( 0.000 -0.000 0.000) 0.000 12.422 ( 0.000 -0.000 0.000) 0.000 12.657 ( 0.000 -0.000 0.000) 0.000 12.885 ( 0.000 -0.000 0.000) 0.000 12.989 ( 0.000 -0.000 0.000) 0.000 13.042 ( 0.000 -0.000 0.000) 0.000 13.106 ( 0.000 -0.000 0.000) 0.000 13.212 ( 0.000 -0.000 0.000) 0.000 13.274 ( 0.000 -0.000 0.000) 0.000 13.295 ( 0.000 -0.000 0.000) 0.000 13.463 ( -0.000 0.000 0.000) 0.000 13.886 ( 0.000 -0.000 0.000) 0.000 14.249 ( 0.000 -0.000 0.000) 0.000 14.692 ( 0.000 -0.000 0.000) 0.000 14.991 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 0.000 35.773) 35.773 0.773 ( 0.000 0.000 37.831) 37.831 1.330 ( 0.000 0.000 63.931) 63.931 3.273 ( 0.000 0.000 -23.585) 23.585 3.546 ( 0.000 0.000 -27.637) 27.637 3.603 ( 0.000 0.000 6.324) 6.324 3.909 ( 0.000 0.000 3.975) 3.975 3.989 ( 0.000 0.000 11.363) 11.363 4.039 ( 0.000 0.000 10.852) 10.852 4.333 ( 0.000 0.000 9.979) 9.979 4.334 ( 0.000 0.000 3.410) 3.410 4.780 ( 0.000 0.000 -4.963) 4.963 4.827 ( 0.000 0.000 -5.089) 5.089 4.875 ( 0.000 0.000 11.505) 11.505 5.106 ( 0.000 0.000 -19.283) 19.283 5.340 ( 0.000 0.000 4.508) 4.508 5.376 ( 0.000 0.000 -7.932) 7.932 5.417 ( 0.000 0.000 -7.562) 7.562 5.538 ( 0.000 0.000 4.168) 4.168 5.677 ( 0.000 0.000 1.485) 1.485 5.709 ( 0.000 0.000 5.310) 5.310 5.789 ( 0.000 0.000 -3.710) 3.710 6.050 ( 0.000 0.000 -4.282) 4.282 6.081 ( 0.000 0.000 0.286) 0.286 7.298 ( 0.000 0.000 1.262) 1.262 7.625 ( 0.000 0.000 -4.352) 4.352 7.755 ( 0.000 0.000 2.586) 2.586 7.830 ( 0.000 0.000 0.171) 0.171 7.909 ( 0.000 0.000 5.939) 5.939 7.923 ( 0.000 0.000 4.305) 4.305 8.063 ( 0.000 0.000 1.835) 1.835 8.069 ( 0.000 0.000 -0.083) 0.083 8.166 ( 0.000 0.000 -0.362) 0.362 8.331 ( 0.000 0.000 0.775) 0.775 8.701 ( 0.000 0.000 1.423) 1.423 9.524 ( 0.000 0.000 0.185) 0.185 9.715 ( 0.000 0.000 -19.614) 19.614 9.756 ( 0.000 0.000 0.387) 0.387 9.879 ( 0.000 0.000 -4.286) 4.286 10.153 ( 0.000 0.000 -9.094) 9.094 10.265 ( 0.000 0.000 3.693) 3.693 10.385 ( 0.000 0.000 -2.199) 2.199 10.604 ( 0.000 0.000 -7.009) 7.009 10.743 ( 0.000 0.000 2.763) 2.763 10.842 ( 0.000 0.000 5.145) 5.145 10.916 ( 0.000 0.000 3.130) 3.130 10.953 ( 0.000 0.000 -8.418) 8.418 11.049 ( 0.000 0.000 2.149) 2.149 11.145 ( 0.000 0.000 3.626) 3.626 11.294 ( 0.000 0.000 2.667) 2.667 11.407 ( 0.000 0.000 10.085) 10.085 11.494 ( 0.000 0.000 10.118) 10.118 11.535 ( 0.000 0.000 -0.244) 0.244 11.838 ( 0.000 0.000 5.576) 5.576 11.916 ( 0.000 0.000 3.382) 3.382 12.063 ( 0.000 0.000 0.494) 0.494 12.267 ( 0.000 0.000 -3.451) 3.451 12.294 ( 0.000 0.000 2.958) 2.958 12.339 ( 0.000 0.000 -4.022) 4.022 12.390 ( 0.000 0.000 0.061) 0.061 12.392 ( 0.000 0.000 0.358) 0.358 12.678 ( 0.000 0.000 -2.322) 2.322 12.844 ( 0.000 0.000 -1.853) 1.853 12.928 ( 0.000 0.000 -10.546) 10.546 13.313 ( 0.000 0.000 5.904) 5.904 13.470 ( 0.000 0.000 -4.157) 4.157 13.848 ( 0.000 0.000 3.192) 3.192 13.952 ( 0.000 0.000 6.859) 6.859 14.345 ( 0.000 0.000 2.715) 2.715 14.450 ( 0.000 0.000 -2.453) 2.453 14.563 ( 0.000 0.000 -5.798) 5.798 14.817 ( 0.000 0.000 -3.322) 3.322 ======================= Grid point 68 (23/84) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 11.884 -20.240 27.125) 35.870 1.111 ( 16.986 -20.840 27.204) 38.247 1.778 ( 23.836 -33.273 43.939) 60.049 3.323 ( 0.688 -5.589 -21.861) 22.575 3.545 ( -2.419 -1.087 -22.708) 22.862 3.605 ( 1.144 1.366 2.407) 2.995 3.922 ( 2.585 -0.391 3.423) 4.307 3.965 ( -4.206 2.771 9.897) 11.105 4.065 ( 3.140 -3.577 11.506) 12.452 4.302 ( -0.545 3.552 3.909) 5.309 4.342 ( 1.189 -0.875 9.012) 9.132 4.669 ( -0.908 8.063 -3.932) 9.017 4.817 ( -5.567 1.896 10.417) 11.962 4.899 ( -3.385 -7.134 -4.756) 9.218 5.133 ( 3.042 2.122 -15.009) 15.460 5.276 ( -3.832 1.859 -2.210) 4.799 5.324 ( -6.446 2.444 -3.158) 7.583 5.448 ( -5.328 -4.481 -1.316) 7.085 5.509 ( 4.800 3.430 -1.969) 6.220 5.693 ( 2.323 2.679 0.385) 3.566 5.723 ( 4.068 -0.105 2.430) 4.739 5.755 ( 2.147 5.511 -1.014) 6.001 6.006 ( -2.005 4.061 -3.750) 5.880 6.044 ( -1.490 3.348 0.433) 3.690 7.361 ( 9.050 -0.568 1.081) 9.132 7.678 ( 8.728 0.611 -4.512) 9.844 7.751 ( 0.934 0.737 1.479) 1.898 7.850 ( 0.298 -1.748 0.758) 1.928 7.906 ( -2.126 -2.702 4.065) 5.324 7.944 ( 2.988 -0.672 4.054) 5.081 8.099 ( 4.232 -1.158 1.599) 4.669 8.122 ( 4.441 -0.653 -0.355) 4.503 8.260 ( 13.932 2.926 -3.287) 14.611 8.358 ( 3.708 -0.692 0.513) 3.806 8.625 ( -0.316 6.625 4.965) 8.285 9.468 ( -12.173 -2.186 1.087) 12.416 9.542 ( -14.709 1.071 -8.524) 17.034 9.783 ( 4.822 10.760 -10.275) 15.640 9.887 ( 1.780 0.653 -3.348) 3.848 10.106 ( -6.608 -0.282 -8.768) 10.983 10.263 ( -1.521 2.309 -0.274) 2.779 10.349 ( -12.060 -1.232 -0.499) 12.133 10.387 ( -19.165 0.761 0.360) 19.183 10.640 ( -4.716 2.353 -5.098) 7.333 10.783 ( 0.789 6.461 6.376) 9.112 10.880 ( -12.682 -1.433 -0.107) 12.763 10.935 ( 4.251 1.371 4.730) 6.506 11.050 ( 7.180 1.805 -5.141) 9.013 11.181 ( 4.717 -0.366 -0.049) 4.732 11.311 ( 0.869 -0.892 2.554) 2.842 11.450 ( 0.396 0.726 5.978) 6.035 11.537 ( 3.958 0.131 4.875) 6.281 11.647 ( 7.071 -2.394 4.015) 8.476 11.889 ( 1.453 -1.079 3.427) 3.876 12.002 ( 4.607 0.721 3.512) 5.838 12.102 ( 5.956 -3.285 3.869) 7.825 12.151 ( 6.210 7.328 1.428) 9.711 12.251 ( -5.387 -3.858 -1.909) 6.896 12.357 ( 3.424 4.847 -0.639) 5.969 12.410 ( 3.646 5.840 3.539) 7.741 12.435 ( 2.165 -2.105 -1.347) 3.306 12.616 ( 3.562 -1.159 3.493) 5.122 12.844 ( -3.267 -12.268 -7.059) 14.526 13.130 ( -1.903 -7.522 -7.639) 10.889 13.341 ( -2.578 -0.111 2.076) 3.312 13.429 ( -2.177 -4.352 -0.186) 4.870 13.797 ( -11.226 -0.657 9.268) 14.573 13.889 ( 2.564 -1.616 5.684) 6.441 14.341 ( -6.637 -2.541 0.747) 7.145 14.423 ( -2.568 1.174 -2.250) 3.611 14.553 ( 1.582 3.600 -6.352) 7.471 14.785 ( -2.684 1.675 -3.467) 4.693 ======================= Grid point 69 (24/84) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 14.961 -24.836 17.392) 33.810 1.680 ( 19.891 -22.572 21.504) 36.980 2.702 ( 27.359 -39.682 22.166) 53.052 3.374 ( -4.759 5.145 -2.472) 7.432 3.506 ( -1.667 -4.500 -16.315) 17.006 3.642 ( 0.917 -5.583 -13.315) 14.467 3.776 ( -8.768 8.160 8.358) 14.606 4.010 ( 3.318 -1.811 1.296) 3.996 4.208 ( 3.625 -6.468 7.085) 10.255 4.237 ( 4.476 3.532 3.667) 6.779 4.401 ( 4.832 -1.226 6.576) 8.252 4.560 ( 1.275 4.794 0.067) 4.961 4.712 ( -6.770 0.780 9.479) 11.674 4.926 ( -7.558 -1.832 -5.930) 9.780 5.019 ( -5.880 4.779 -2.824) 8.086 5.162 ( -8.030 5.604 2.103) 10.016 5.241 ( -1.248 5.654 -1.322) 5.939 5.425 ( -0.369 -4.542 -6.991) 8.345 5.530 ( -1.941 8.935 -4.534) 10.205 5.638 ( 3.048 0.114 -4.858) 5.736 5.731 ( 3.479 3.378 -1.180) 4.991 5.773 ( 3.996 1.098 1.533) 4.418 5.892 ( -2.818 5.920 -2.792) 7.127 5.956 ( -1.384 4.888 0.874) 5.155 7.526 ( 14.319 -1.329 0.629) 14.394 7.748 ( 1.776 0.096 -0.546) 1.860 7.801 ( 8.191 0.717 -3.704) 9.018 7.881 ( 0.390 -1.984 1.075) 2.290 7.948 ( 0.262 -4.253 1.773) 4.615 8.033 ( 11.279 0.026 1.650) 11.400 8.183 ( 3.773 -2.001 0.009) 4.270 8.208 ( 7.677 -2.001 0.206) 7.936 8.360 ( 11.295 3.583 -1.488) 11.942 8.439 ( 8.044 0.917 0.037) 8.097 8.537 ( 1.539 4.702 5.552) 7.436 9.290 ( -21.879 -2.130 0.998) 22.005 9.300 ( -23.887 0.218 -0.407) 23.892 9.612 ( 9.241 18.622 -12.775) 24.400 9.885 ( -16.154 -0.547 -0.058) 16.164 9.948 ( -12.922 -0.179 -0.363) 12.928 10.000 ( -25.647 -1.910 -1.078) 25.740 10.209 ( -10.809 -6.134 -5.645) 13.650 10.341 ( 2.478 1.541 -2.463) 3.818 10.585 ( -0.904 0.584 -2.192) 2.442 10.665 ( -0.046 6.204 4.798) 7.843 10.838 ( 2.278 1.861 -2.729) 4.012 11.009 ( 5.167 -1.256 1.092) 5.428 11.078 ( 1.854 -0.304 -0.631) 1.982 11.256 ( 4.683 5.106 -1.527) 7.094 11.344 ( 2.004 -1.473 2.265) 3.364 11.445 ( -1.109 5.969 0.022) 6.071 11.511 ( 9.452 -0.159 1.219) 9.531 11.680 ( -2.214 -0.259 4.202) 4.757 11.906 ( -0.331 7.248 0.261) 7.260 11.942 ( -2.554 2.383 7.677) 8.434 12.104 ( 2.920 0.563 1.228) 3.217 12.222 ( 1.601 -1.974 3.807) 4.577 12.317 ( 0.852 -8.060 0.575) 8.125 12.389 ( 1.554 -0.928 2.914) 3.431 12.425 ( 0.132 -0.694 -0.385) 0.804 12.588 ( 22.358 -3.007 0.654) 22.569 12.786 ( 10.000 -5.054 3.851) 11.848 12.965 ( -6.901 -9.819 -4.480) 12.811 13.136 ( -2.343 1.106 -2.281) 3.452 13.237 ( -1.408 5.109 4.061) 6.677 13.556 ( -0.214 -8.811 -1.889) 9.014 13.695 ( -11.645 -3.231 4.846) 13.021 14.000 ( 10.484 -1.209 1.738) 10.696 14.258 ( -10.231 -0.490 -0.429) 10.251 14.371 ( -5.018 -1.636 -1.774) 5.568 14.483 ( -1.418 5.583 -5.075) 7.677 14.711 ( -3.023 3.058 -3.841) 5.766 ======================= Grid point 70 (25/84) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 14.630 -24.357 11.849) 30.785 2.277 ( 20.284 -22.008 17.008) 34.425 3.086 ( -10.334 16.228 5.908) 20.126 3.280 ( -8.669 7.693 11.760) 16.512 3.628 ( 0.026 -7.397 -11.947) 14.051 3.721 ( 15.642 -24.554 8.119) 30.224 3.861 ( 4.424 -13.809 -16.843) 22.225 3.962 ( -1.723 3.596 1.166) 4.155 4.275 ( 2.365 -1.279 -4.249) 5.029 4.398 ( 7.392 -3.125 1.751) 8.214 4.472 ( 9.245 0.492 2.348) 9.551 4.568 ( 1.115 -0.647 7.258) 7.371 4.652 ( -3.351 1.334 1.811) 4.036 4.768 ( -4.821 1.224 2.875) 5.745 4.913 ( -8.769 2.630 0.329) 9.161 4.987 ( -4.794 4.959 4.666) 8.328 5.067 ( -7.938 10.229 4.504) 13.709 5.235 ( -8.310 14.796 3.271) 17.282 5.544 ( 3.729 -5.280 -11.226) 12.954 5.666 ( -1.286 1.702 -5.192) 5.613 5.729 ( 0.919 2.792 -4.034) 4.991 5.748 ( 1.382 2.440 -2.396) 3.689 5.822 ( 1.620 1.433 -2.036) 2.970 5.888 ( -0.054 2.648 0.205) 2.657 7.707 ( 9.429 -1.042 -0.469) 9.498 7.769 ( 1.006 -0.473 -0.916) 1.441 7.858 ( 2.806 -0.223 -2.761) 3.943 7.908 ( 0.033 -0.251 -1.337) 1.360 8.060 ( 5.878 -5.761 1.597) 8.383 8.196 ( 12.620 0.613 -2.502) 12.880 8.258 ( 4.734 -1.365 -0.403) 4.944 8.358 ( 8.033 -1.043 0.614) 8.124 8.430 ( 3.310 2.089 0.403) 3.935 8.476 ( 12.062 1.205 -1.829) 12.259 8.613 ( 19.558 3.976 5.660) 20.745 8.932 ( -26.934 3.665 2.179) 27.269 9.050 ( -23.557 -3.260 1.781) 23.848 9.391 ( -29.736 3.458 -1.562) 29.977 9.558 ( 6.143 11.537 -5.895) 14.338 9.740 ( -24.774 -5.965 -1.978) 25.559 10.003 ( 2.750 -3.507 3.302) 5.547 10.169 ( -4.008 0.801 -3.056) 5.104 10.390 ( 0.714 -5.250 -3.409) 6.300 10.562 ( 0.301 3.637 7.061) 7.948 10.614 ( 0.667 -0.555 -2.356) 2.511 10.809 ( 3.495 7.946 -1.582) 8.823 11.079 ( 2.705 -0.429 -2.677) 3.830 11.117 ( 1.158 -1.442 -2.733) 3.300 11.195 ( -0.631 1.372 -2.115) 2.599 11.293 ( -2.150 5.255 -1.396) 5.847 11.401 ( -0.186 -3.056 -0.915) 3.195 11.654 ( 4.224 -0.139 3.932) 5.772 11.690 ( -0.031 10.696 -3.119) 11.141 11.796 ( 9.729 -3.469 0.910) 10.369 11.865 ( -2.996 1.253 8.527) 9.125 12.159 ( 0.356 -2.740 0.998) 2.937 12.246 ( -0.307 1.130 2.249) 2.536 12.336 ( -3.692 3.603 0.914) 5.240 12.488 ( 2.620 -8.616 2.229) 9.278 12.533 ( 1.579 -12.252 5.141) 13.381 12.827 ( 3.874 4.036 -4.349) 7.086 12.891 ( 0.747 2.960 2.063) 3.684 13.015 ( 14.751 1.306 3.503) 15.218 13.128 ( -5.045 -6.793 0.370) 8.469 13.199 ( 4.822 0.671 6.883) 8.430 13.560 ( -13.942 -0.567 2.629) 14.199 13.714 ( 5.899 -6.316 -3.374) 9.277 14.107 ( -10.996 2.728 -2.172) 11.536 14.133 ( 11.354 2.689 -1.702) 11.792 14.355 ( -6.488 3.282 -3.608) 8.117 14.392 ( -4.156 -8.444 -1.726) 9.568 14.620 ( -1.058 5.535 -3.843) 6.821 ======================= Grid point 71 (26/84) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 11.956 -20.911 8.333) 25.488 2.643 ( -11.956 20.911 8.333) 25.488 2.846 ( 16.700 -18.987 14.299) 29.049 2.846 ( -16.700 18.987 14.299) 29.049 3.764 ( 0.819 -8.070 -6.673) 10.503 3.764 ( -0.819 8.070 -6.673) 10.503 4.121 ( 2.097 -10.715 -12.262) 16.418 4.121 ( -2.097 10.715 -12.262) 16.418 4.444 ( 2.105 -7.930 3.215) 8.812 4.444 ( -2.105 7.930 3.215) 8.812 4.532 ( 8.266 -8.334 1.754) 11.868 4.532 ( -8.266 8.334 1.754) 11.868 4.684 ( 2.266 -9.238 1.221) 9.590 4.684 ( -2.266 9.238 1.221) 9.590 4.782 ( -4.272 -8.532 5.322) 10.925 4.782 ( 4.272 8.532 5.322) 10.925 5.004 ( -4.501 1.104 9.976) 11.000 5.004 ( 4.501 -1.104 9.976) 11.000 5.624 ( -1.220 -1.445 -6.632) 6.896 5.624 ( 1.220 1.445 -6.632) 6.896 5.719 ( -0.197 -3.301 -4.964) 5.964 5.719 ( 0.197 3.301 -4.964) 5.964 5.851 ( -0.572 -2.011 -1.787) 2.751 5.851 ( 0.572 2.011 -1.787) 2.751 7.775 ( -1.449 -0.426 -1.077) 1.856 7.775 ( 1.449 0.426 -1.077) 1.856 7.892 ( -0.460 -0.548 -2.554) 2.652 7.892 ( 0.460 0.548 -2.554) 2.652 8.211 ( 1.490 -3.363 -0.451) 3.706 8.211 ( -1.490 3.363 -0.451) 3.706 8.372 ( -2.633 -0.859 -0.211) 2.777 8.372 ( 2.633 0.859 -0.211) 2.777 8.519 ( -18.555 -0.749 -1.140) 18.605 8.519 ( 18.555 0.749 -1.140) 18.605 8.743 ( -9.945 -1.670 2.347) 10.354 8.743 ( 9.945 1.670 2.347) 10.354 8.971 ( -25.068 -1.259 3.697) 25.370 8.971 ( 25.068 1.259 3.697) 25.370 9.578 ( -23.617 -13.390 -4.213) 27.473 9.578 ( 23.617 13.390 -4.213) 27.473 10.092 ( 1.506 -2.382 1.144) 3.041 10.092 ( -1.506 2.382 1.144) 3.041 10.487 ( -1.437 -6.671 1.255) 6.939 10.487 ( 1.437 6.671 1.255) 6.939 10.692 ( -0.950 -8.669 0.360) 8.728 10.692 ( 0.950 8.669 0.360) 8.728 11.107 ( -1.261 -1.847 -5.116) 5.584 11.107 ( 1.261 1.847 -5.116) 5.584 11.225 ( -1.595 -2.885 -2.256) 3.994 11.225 ( 1.595 2.885 -2.256) 3.994 11.497 ( -0.040 -10.529 -3.638) 11.140 11.497 ( 0.040 10.529 -3.638) 11.140 11.741 ( -5.206 -1.622 8.700) 10.267 11.741 ( 5.206 1.622 8.700) 10.267 12.069 ( -2.141 -0.456 -2.957) 3.679 12.069 ( 2.141 0.456 -2.957) 3.679 12.255 ( -2.858 -0.370 4.556) 5.391 12.255 ( 2.858 0.370 4.556) 5.391 12.669 ( 3.757 -7.574 0.418) 8.465 12.669 ( -3.757 7.574 0.418) 8.465 12.757 ( -2.529 -9.455 3.413) 10.365 12.757 ( 2.529 9.455 3.413) 10.365 13.146 ( -10.664 -6.128 2.141) 12.485 13.146 ( 10.664 6.128 2.141) 12.485 13.357 ( -15.889 1.869 4.144) 16.527 13.357 ( 15.889 -1.869 4.144) 16.527 13.909 ( -4.379 -2.810 -3.597) 6.326 13.909 ( 4.379 2.810 -3.597) 6.326 14.229 ( -9.631 -1.576 -2.720) 10.131 14.229 ( 9.631 1.576 -2.720) 10.131 14.508 ( -1.074 -8.960 -2.986) 9.505 14.508 ( 1.074 8.960 -2.986) 9.505 ======================= Grid point 77 (27/84) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 28.749 -0.000 20.927) 35.560 1.212 ( 28.047 -0.000 23.006) 36.275 1.927 ( 39.957 -0.000 42.576) 58.389 3.295 ( 1.933 -0.000 -21.151) 21.240 3.499 ( -3.125 0.000 -24.528) 24.726 3.669 ( 4.808 -0.000 4.814) 6.804 3.930 ( 0.614 -0.000 4.016) 4.063 3.981 ( -0.515 0.000 11.156) 11.168 4.037 ( -0.034 0.000 8.941) 8.941 4.324 ( -0.676 0.000 9.704) 9.728 4.333 ( -0.038 0.000 6.995) 6.995 4.721 ( -8.481 0.000 1.509) 8.614 4.752 ( -1.730 0.000 -5.882) 6.131 4.760 ( -7.156 0.000 0.713) 7.191 5.216 ( -9.908 0.000 3.286) 10.439 5.231 ( 8.648 -0.000 -18.334) 20.271 5.244 ( -8.677 0.000 -3.352) 9.302 5.309 ( -7.522 0.000 -2.236) 7.847 5.610 ( 6.272 -0.000 -1.838) 6.536 5.746 ( 1.750 -0.000 -1.770) 2.489 5.796 ( 6.273 -0.000 2.037) 6.596 5.832 ( 3.661 -0.000 0.180) 3.665 5.999 ( -4.559 0.000 -2.622) 5.259 6.038 ( -3.227 0.000 0.974) 3.370 7.504 ( 13.948 -0.000 1.229) 14.002 7.766 ( 0.678 -0.000 2.271) 2.370 7.792 ( 6.339 -0.000 -2.459) 6.799 7.842 ( 0.185 -0.000 0.740) 0.763 7.861 ( -1.105 0.000 4.192) 4.335 8.029 ( 14.407 -0.000 1.063) 14.446 8.151 ( 4.547 -0.000 0.778) 4.614 8.178 ( 6.312 -0.000 -0.270) 6.317 8.432 ( 9.538 -0.000 0.700) 9.564 8.439 ( 7.532 -0.000 -3.494) 8.303 8.699 ( 1.402 -0.000 3.742) 3.996 9.245 ( -20.959 0.000 2.032) 21.057 9.295 ( -21.176 0.000 -2.058) 21.276 9.864 ( -0.052 0.000 -5.365) 5.365 9.932 ( -34.164 0.000 -1.068) 34.181 9.973 ( -38.801 0.000 0.019) 38.801 10.052 ( 6.164 -0.000 -13.893) 15.199 10.053 ( -1.299 0.000 -8.546) 8.644 10.381 ( 2.486 -0.000 0.860) 2.631 10.689 ( 0.338 -0.000 -8.519) 8.525 10.775 ( 1.466 -0.000 -2.144) 2.597 10.874 ( 1.886 -0.000 5.160) 5.494 11.021 ( 3.874 -0.000 -0.947) 3.988 11.125 ( -1.164 0.000 -0.261) 1.193 11.299 ( 17.136 -0.000 -2.485) 17.315 11.337 ( 4.391 -0.000 3.410) 5.560 11.426 ( 2.556 -0.000 7.076) 7.523 11.627 ( 5.098 -0.000 8.646) 10.037 11.673 ( 2.205 -0.000 1.691) 2.779 11.891 ( 0.570 -0.000 2.055) 2.133 12.006 ( -3.498 0.000 2.091) 4.075 12.089 ( -8.945 0.000 -2.142) 9.198 12.160 ( -1.186 0.000 7.599) 7.691 12.324 ( -2.607 0.000 -3.873) 4.669 12.407 ( -1.420 0.000 -2.236) 2.649 12.443 ( 19.847 -0.000 1.775) 19.926 12.597 ( 8.698 -0.000 -0.917) 8.746 12.642 ( 1.345 -0.000 0.230) 1.365 12.761 ( 2.893 -0.000 4.126) 5.039 12.964 ( 3.128 -0.000 -7.968) 8.560 13.306 ( -0.404 0.000 4.934) 4.951 13.381 ( -4.151 0.000 1.086) 4.291 13.606 ( -10.996 0.000 16.302) 19.664 13.944 ( 6.908 -0.000 2.578) 7.374 14.219 ( -10.028 0.000 3.546) 10.636 14.400 ( -3.109 0.000 -3.946) 5.024 14.572 ( -3.785 0.000 -5.266) 6.486 14.775 ( -0.939 0.000 -5.187) 5.272 ======================= Grid point 78 (28/84) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 28.962 -7.270 15.006) 33.419 1.713 ( 29.102 -13.027 17.887) 36.560 2.632 ( 39.550 -22.167 26.649) 52.591 3.365 ( 2.850 -4.231 -16.442) 17.215 3.471 ( -2.625 -0.200 -18.173) 18.362 3.645 ( 1.543 7.093 0.569) 7.281 3.845 ( -4.205 10.918 9.065) 14.801 3.979 ( -0.567 -3.733 5.857) 6.969 4.130 ( 1.637 -7.366 7.235) 10.454 4.302 ( 0.949 -0.197 7.015) 7.081 4.403 ( 3.908 -6.360 9.233) 11.873 4.598 ( -6.433 1.662 -2.111) 6.972 4.631 ( -7.722 2.368 1.380) 8.194 4.763 ( -5.553 -3.760 -4.636) 8.153 5.048 ( -13.231 2.301 1.893) 13.563 5.056 ( -9.375 6.362 -4.057) 12.034 5.249 ( -7.319 -1.369 2.433) 7.833 5.384 ( 8.684 -3.591 -15.824) 18.404 5.643 ( 2.344 5.841 -4.453) 7.709 5.722 ( 1.413 3.927 -2.978) 5.127 5.846 ( 3.798 3.747 0.756) 5.388 5.854 ( 4.271 2.626 0.587) 5.048 5.905 ( -5.134 2.373 -1.219) 5.786 5.983 ( -2.629 1.764 1.401) 3.462 7.670 ( 9.595 -0.863 0.342) 9.640 7.767 ( 0.566 0.414 1.170) 1.364 7.832 ( -0.155 -0.813 0.176) 0.846 7.858 ( 0.589 -1.880 0.365) 2.004 7.902 ( 3.640 -3.490 4.135) 6.522 8.188 ( 1.896 -1.575 -0.727) 2.570 8.256 ( 16.020 2.301 -2.476) 16.373 8.319 ( 17.876 -1.385 -0.581) 17.939 8.478 ( 0.798 0.807 1.483) 1.867 8.530 ( 5.807 1.042 -2.272) 6.322 8.747 ( 16.634 4.275 7.558) 18.764 8.974 ( -21.953 -0.842 3.719) 22.282 9.022 ( -22.936 1.094 0.970) 22.983 9.428 ( -41.638 0.689 -0.412) 41.645 9.519 ( -35.377 -3.669 -1.558) 35.601 9.886 ( 2.557 -0.492 -2.614) 3.690 10.067 ( 5.042 4.335 -9.071) 11.247 10.100 ( 3.469 -0.410 -8.602) 9.284 10.382 ( 0.003 1.484 -0.646) 1.619 10.631 ( 0.833 5.385 -6.670) 8.613 10.755 ( 1.725 6.278 1.670) 6.722 10.924 ( 5.704 -0.871 -0.748) 5.818 11.052 ( 3.182 0.200 -3.328) 4.609 11.085 ( -2.428 1.085 -0.810) 2.780 11.354 ( 2.565 3.111 4.926) 6.366 11.424 ( 5.210 5.248 1.119) 7.479 11.538 ( 7.212 1.970 0.122) 7.477 11.637 ( 5.647 2.575 1.687) 6.432 11.663 ( 1.689 2.506 6.334) 7.018 11.915 ( -0.194 -2.901 3.085) 4.239 11.946 ( -4.642 0.197 2.324) 5.195 12.081 ( -4.128 -1.320 4.769) 6.444 12.141 ( 1.210 -8.189 1.680) 8.446 12.309 ( -4.095 3.450 -2.368) 5.855 12.359 ( -2.203 -0.329 0.609) 2.309 12.446 ( 0.519 4.919 -0.949) 5.036 12.676 ( -6.276 -11.137 -4.143) 13.438 12.848 ( 11.171 -6.197 -0.577) 12.788 12.904 ( 21.392 2.132 1.446) 21.547 13.107 ( 3.995 -4.914 -1.082) 6.424 13.309 ( 0.573 3.597 4.122) 5.501 13.387 ( -0.524 -9.783 1.292) 9.882 13.499 ( -10.077 -1.272 9.292) 13.766 14.037 ( -5.302 -2.983 0.777) 6.133 14.112 ( -0.919 -2.679 4.166) 5.037 14.347 ( -1.777 2.630 -5.070) 5.982 14.463 ( -10.517 2.082 -3.859) 11.395 14.763 ( 2.387 2.850 -5.853) 6.934 ======================= Grid point 79 (29/84) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 26.022 -12.885 10.238) 30.790 2.286 ( 27.489 -15.323 15.632) 35.139 3.286 ( -1.512 17.670 3.182) 18.018 3.341 ( 9.663 -0.721 11.357) 14.929 3.523 ( 2.292 -7.091 -10.922) 13.222 3.609 ( 10.858 -10.696 7.758) 17.102 3.712 ( 1.107 -7.036 -11.137) 13.220 3.978 ( -2.380 0.367 5.927) 6.398 4.223 ( -1.160 -5.039 1.851) 5.493 4.413 ( 3.388 -6.120 2.456) 7.414 4.512 ( -5.423 -0.366 1.821) 5.732 4.519 ( -7.433 -2.140 0.660) 7.763 4.603 ( 6.800 -5.673 3.667) 9.585 4.722 ( -4.804 1.764 -4.752) 6.984 4.848 ( -14.136 -0.189 2.938) 14.440 4.869 ( -5.150 1.764 -0.385) 5.457 5.145 ( -5.708 4.496 7.459) 10.413 5.403 ( -7.094 17.171 0.028) 18.578 5.547 ( 7.235 -2.484 -13.451) 15.474 5.681 ( -2.784 3.468 -3.786) 5.840 5.770 ( -3.886 3.000 -1.954) 5.284 5.827 ( 4.039 4.008 -2.429) 6.187 5.881 ( 1.949 3.157 -0.208) 3.716 5.937 ( 1.048 2.670 -0.229) 2.877 7.739 ( 0.034 -1.353 -1.050) 1.713 7.769 ( -0.550 -0.449 0.098) 0.716 7.848 ( -0.919 -1.726 -0.290) 1.976 7.876 ( -2.757 -1.868 -0.889) 3.447 8.046 ( 6.433 -5.201 2.695) 8.700 8.223 ( -0.425 -2.001 -2.091) 2.925 8.376 ( 0.061 1.290 0.013) 1.291 8.410 ( 4.154 1.775 2.034) 4.954 8.558 ( 14.682 0.398 0.475) 14.695 8.574 ( -13.036 3.597 -2.371) 13.729 8.704 ( -15.098 -0.374 2.141) 15.253 8.777 ( -3.088 0.057 0.992) 3.244 8.935 ( -14.923 -0.231 1.665) 15.018 9.030 ( 12.006 0.564 4.433) 12.811 9.255 ( -17.620 -6.802 0.040) 18.887 9.945 ( 6.394 0.848 0.103) 6.450 10.058 ( 8.958 6.501 -5.023) 12.154 10.135 ( -0.293 -0.478 -6.981) 7.004 10.355 ( -0.863 0.388 -1.095) 1.447 10.582 ( 0.161 1.906 -4.369) 4.770 10.672 ( 0.698 5.355 2.961) 6.159 10.987 ( 7.057 4.713 -4.317) 9.521 11.064 ( -2.118 -2.915 -1.194) 3.796 11.113 ( 3.882 -2.234 -3.624) 5.761 11.245 ( -4.521 9.289 1.464) 10.434 11.349 ( -2.004 4.916 3.777) 6.515 11.433 ( 1.815 7.950 -2.893) 8.652 11.668 ( 1.617 -0.365 9.899) 10.037 11.822 ( 5.215 1.650 -1.226) 5.606 11.868 ( 2.234 -1.891 1.326) 3.213 11.894 ( 0.360 5.748 -0.196) 5.763 12.075 ( -3.134 -2.974 1.555) 4.592 12.221 ( -4.067 -1.697 5.793) 7.279 12.285 ( -6.564 -0.333 1.746) 6.800 12.364 ( 2.880 -9.990 0.156) 10.398 12.469 ( 6.046 -2.978 -0.767) 6.783 12.753 ( -7.946 -9.429 -3.535) 12.827 12.981 ( -1.091 -1.546 -4.459) 4.844 13.043 ( 7.988 5.840 3.114) 10.374 13.233 ( 8.607 0.537 7.997) 11.761 13.324 ( 13.278 0.631 3.660) 13.788 13.375 ( -11.421 -0.112 4.292) 12.201 13.587 ( 0.964 -13.628 -2.144) 13.829 13.906 ( -16.378 -3.913 1.714) 16.926 14.244 ( -4.085 -2.448 -2.619) 5.435 14.265 ( -9.449 -0.126 -2.504) 9.776 14.325 ( 8.274 2.286 -3.718) 9.355 14.740 ( 3.798 5.339 -5.198) 8.363 ======================= Grid point 80 (30/84) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 21.737 -13.124 6.987) 26.335 2.836 ( 20.239 -11.742 13.662) 27.095 2.916 ( -0.905 23.414 7.014) 24.459 3.011 ( -7.954 21.585 13.343) 26.594 3.639 ( 0.085 -7.945 -7.760) 11.106 3.834 ( -0.819 0.686 -1.580) 1.907 3.956 ( 2.122 -12.464 -11.613) 17.167 4.201 ( -1.523 1.875 -7.107) 7.506 4.312 ( 13.307 -18.231 2.872) 22.753 4.393 ( -9.746 -3.148 2.075) 10.450 4.451 ( -10.098 -0.179 -4.240) 10.954 4.541 ( -4.642 -5.946 3.870) 8.478 4.585 ( -1.814 -2.005 4.665) 5.392 4.644 ( -3.871 2.106 2.905) 5.278 4.832 ( 3.775 -2.974 0.513) 4.832 4.875 ( -4.438 14.294 3.673) 15.411 5.025 ( -5.741 7.990 10.503) 14.392 5.053 ( 7.606 -2.218 6.922) 10.521 5.580 ( -5.270 -0.116 -2.867) 6.000 5.654 ( 1.921 0.219 -7.045) 7.306 5.692 ( -0.825 0.999 -6.973) 7.092 5.794 ( 0.464 5.675 -4.339) 7.158 5.846 ( 0.239 1.770 -1.447) 2.299 5.915 ( 2.371 3.474 -2.001) 4.658 7.720 ( -6.315 -0.134 -0.813) 6.368 7.768 ( -1.532 -1.086 -1.671) 2.513 7.828 ( -7.334 -1.933 -2.670) 8.040 7.873 ( -1.218 -1.670 -1.537) 2.576 8.162 ( -3.325 -2.247 -0.798) 4.092 8.205 ( -7.084 -0.276 0.180) 7.092 8.265 ( -14.248 2.927 1.521) 14.624 8.308 ( -6.179 -2.616 -0.387) 6.721 8.433 ( -1.852 1.483 -0.136) 2.377 8.499 ( -18.975 1.555 2.477) 19.199 8.504 ( -13.653 -2.486 4.127) 14.478 8.865 ( 27.742 -0.436 -0.299) 27.748 9.014 ( -11.264 -9.553 -2.698) 15.014 9.182 ( 20.128 -0.484 -4.677) 20.670 9.466 ( 34.630 0.877 7.041) 35.350 9.999 ( 11.561 5.843 1.108) 13.001 10.091 ( 0.210 2.509 -2.855) 3.807 10.125 ( 5.291 0.135 -0.753) 5.346 10.369 ( -2.896 -5.109 -1.467) 6.053 10.578 ( 0.934 -0.554 3.813) 3.965 10.611 ( -0.297 2.989 -0.738) 3.093 10.887 ( 1.527 14.897 -0.846) 14.999 11.088 ( -0.552 -2.511 -2.334) 3.473 11.118 ( -2.990 2.117 -0.538) 3.703 11.176 ( -0.405 -2.018 -4.458) 4.910 11.284 ( 1.975 1.868 -4.902) 5.605 11.389 ( 1.763 -1.327 -1.673) 2.769 11.629 ( -3.322 4.918 3.195) 6.740 11.706 ( -2.817 7.882 0.969) 8.426 11.832 ( 5.225 0.377 5.932) 7.914 11.981 ( -11.590 2.675 -2.807) 12.222 12.097 ( 6.390 -5.647 -1.094) 8.597 12.171 ( -6.031 -1.615 5.449) 8.287 12.243 ( -1.307 -2.526 5.314) 6.027 12.566 ( 0.887 -9.423 3.270) 10.014 12.644 ( 8.735 -5.969 -2.631) 10.902 12.747 ( -4.936 0.500 -1.765) 5.266 12.917 ( -8.048 0.026 -0.649) 8.074 12.977 ( 3.479 9.916 5.891) 12.047 13.206 ( -11.474 0.465 3.542) 12.017 13.317 ( 6.833 1.886 6.518) 9.630 13.536 ( 15.405 -0.805 1.726) 15.522 13.718 ( -12.127 -6.085 -3.636) 14.047 13.874 ( -0.738 -11.669 -0.418) 11.700 14.042 ( -16.305 -0.382 -2.820) 16.551 14.272 ( 0.384 -1.896 -4.497) 4.895 14.488 ( 10.587 -2.655 -2.224) 11.139 14.687 ( 4.019 7.982 -4.053) 9.813 ======================= Grid point 81 (31/84) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -6.528 28.545 10.774) 31.202 2.466 ( -9.208 27.310 14.549) 32.285 3.060 ( 18.925 -10.706 4.645) 22.234 3.324 ( 19.255 -8.927 12.110) 24.436 3.697 ( -1.441 0.127 -7.290) 7.432 3.840 ( 0.172 2.184 -6.243) 6.616 3.986 ( -13.293 14.472 2.429) 19.800 4.012 ( -2.203 6.638 -11.290) 13.281 4.201 ( -12.300 6.292 -2.985) 14.134 4.316 ( -11.316 -2.546 0.539) 11.612 4.380 ( -0.395 2.038 -2.602) 3.329 4.537 ( -7.791 1.291 6.200) 10.040 4.635 ( -0.861 -2.052 5.900) 6.306 4.690 ( 0.360 -11.647 4.602) 12.529 4.895 ( -0.686 0.510 12.314) 12.344 4.917 ( 12.257 -16.022 1.418) 20.222 5.053 ( 8.916 -9.382 -0.680) 12.960 5.245 ( 8.876 -0.174 3.338) 9.484 5.562 ( -2.237 -2.180 -4.178) 5.217 5.631 ( -1.624 -1.900 -6.482) 6.947 5.684 ( -1.976 0.096 -3.706) 4.201 5.733 ( 0.491 1.924 -6.209) 6.519 5.805 ( -1.749 2.182 -2.892) 4.023 5.889 ( 1.265 2.500 -0.640) 2.874 7.577 ( -13.157 1.849 -0.195) 13.287 7.745 ( -10.198 -2.410 -3.564) 11.068 7.757 ( -2.756 -0.047 -3.198) 4.222 7.885 ( -1.867 -1.864 -2.083) 3.361 8.002 ( -14.532 -1.255 2.940) 14.880 8.066 ( -4.166 1.843 0.092) 4.556 8.250 ( -1.448 0.727 -0.021) 1.621 8.267 ( -8.080 -1.154 0.036) 8.162 8.299 ( -6.450 2.816 1.116) 7.126 8.377 ( -4.986 -2.070 0.187) 5.402 8.463 ( -0.935 -0.930 1.935) 2.342 9.037 ( -11.525 -14.622 -7.406) 20.037 9.249 ( 29.037 -1.929 0.451) 29.104 9.445 ( 24.162 4.152 -1.418) 24.557 9.900 ( 31.338 -0.721 3.824) 31.578 10.020 ( 0.716 5.115 0.541) 5.193 10.069 ( 8.472 1.186 2.945) 9.047 10.220 ( 7.574 -1.125 -2.011) 7.917 10.431 ( -3.014 -7.507 -0.584) 8.110 10.518 ( 1.535 7.361 0.399) 7.530 10.660 ( 0.120 -0.924 2.856) 3.004 10.698 ( 0.479 3.022 2.654) 4.050 11.032 ( -5.052 1.204 -1.185) 5.327 11.153 ( -2.980 2.561 -3.456) 5.233 11.162 ( 2.248 -4.692 -4.505) 6.882 11.281 ( 2.539 1.216 -3.305) 4.341 11.475 ( -1.647 8.210 -4.363) 9.442 11.536 ( 3.415 -8.501 -3.453) 9.790 11.617 ( -2.748 0.025 2.741) 3.881 11.730 ( -11.964 5.144 -0.514) 13.033 11.912 ( 4.572 -0.500 9.342) 10.413 12.091 ( -9.177 -0.943 5.301) 10.640 12.234 ( 1.550 -3.274 -0.071) 3.623 12.286 ( -0.714 -3.695 2.484) 4.509 12.599 ( -5.007 7.861 4.207) 10.226 12.619 ( -10.509 -0.716 1.327) 10.617 12.717 ( -3.970 8.397 -2.299) 9.568 12.841 ( 1.639 -7.218 0.340) 7.410 12.939 ( 3.789 4.859 4.792) 7.806 13.139 ( 0.937 -2.294 3.825) 4.557 13.321 ( 4.601 6.675 2.916) 8.616 13.633 ( -8.949 -2.586 -3.738) 10.037 13.705 ( 8.038 -1.644 0.422) 8.216 13.898 ( -12.117 -5.192 0.394) 13.188 14.093 ( 1.269 -13.090 -3.297) 13.558 14.332 ( 2.635 -2.768 -4.105) 5.609 14.595 ( 3.660 9.664 -2.342) 10.596 14.636 ( 7.699 -1.700 -2.902) 8.401 ======================= Grid point 82 (32/84) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -5.921 29.958 16.796) 34.851 1.922 ( -5.777 30.632 16.315) 35.183 3.123 ( -10.618 42.605 15.515) 46.569 3.399 ( 13.638 -5.456 1.580) 14.773 3.623 ( 1.359 6.088 -15.313) 16.535 3.709 ( -6.864 7.215 -13.178) 16.517 3.814 ( 13.088 -4.436 11.139) 17.749 3.955 ( -8.657 1.918 -4.076) 9.759 4.111 ( 0.426 -7.101 -2.179) 7.440 4.185 ( -12.319 1.150 9.658) 15.696 4.358 ( -1.460 -2.832 -2.053) 3.790 4.493 ( -1.827 1.978 10.757) 11.089 4.723 ( 1.902 -6.284 7.060) 9.641 4.874 ( 2.685 -11.087 -0.891) 11.442 5.009 ( -0.047 -13.136 4.472) 13.877 5.135 ( 5.347 1.839 -3.588) 6.697 5.245 ( 3.806 0.491 -0.799) 3.920 5.371 ( 2.531 -14.141 -1.860) 14.485 5.504 ( 0.340 5.331 -7.062) 8.855 5.664 ( -2.009 5.214 -5.202) 7.635 5.677 ( -0.317 -3.017 -2.285) 3.798 5.738 ( -0.139 0.314 -1.958) 1.987 5.794 ( -0.713 -8.017 -2.853) 8.540 5.891 ( 0.055 -2.866 1.479) 3.225 7.398 ( -9.234 1.870 0.346) 9.428 7.642 ( -9.421 -1.818 -5.234) 10.930 7.735 ( -1.194 -0.117 -1.091) 1.621 7.870 ( -3.516 -1.757 2.267) 4.537 7.933 ( -2.839 -1.331 0.032) 3.136 8.023 ( 1.423 2.521 0.955) 3.048 8.148 ( -8.461 1.435 1.184) 8.664 8.192 ( -2.447 4.150 0.812) 4.886 8.201 ( -3.561 0.617 -0.606) 3.665 8.369 ( -1.985 -0.710 -1.193) 2.422 8.491 ( 0.679 -2.598 2.356) 3.572 9.178 ( -5.634 -16.913 -12.042) 21.513 9.609 ( 20.842 -0.223 -0.214) 20.844 9.614 ( 16.965 5.196 0.167) 17.744 9.950 ( 0.567 2.964 3.484) 4.610 10.085 ( -0.033 -1.300 0.175) 1.312 10.207 ( 2.983 1.143 -0.327) 3.212 10.342 ( 9.900 -2.749 -3.227) 10.769 10.504 ( 8.640 2.227 -0.735) 8.953 10.521 ( 1.697 -3.495 -0.498) 3.917 10.617 ( 5.094 -1.289 2.141) 5.674 10.836 ( 7.393 -5.709 3.223) 9.881 10.951 ( -5.966 1.112 3.439) 6.975 11.057 ( -4.885 1.672 -4.462) 6.824 11.223 ( 2.587 2.156 -3.212) 4.654 11.327 ( -5.588 3.446 -4.185) 7.786 11.372 ( 5.946 -6.044 0.337) 8.485 11.462 ( -5.137 5.188 1.094) 7.382 11.654 ( -4.098 -2.956 -0.880) 5.129 11.779 ( 4.498 -11.328 -2.185) 12.382 11.934 ( -5.707 -0.407 6.873) 8.943 11.990 ( -3.796 -0.740 7.407) 8.356 12.254 ( -10.132 1.932 0.376) 10.321 12.283 ( -1.406 -0.144 1.727) 2.231 12.346 ( -6.859 4.274 -0.541) 8.100 12.485 ( -3.021 5.602 9.153) 11.149 12.583 ( 2.661 9.491 -0.227) 9.860 12.801 ( -3.730 6.901 4.901) 9.250 13.030 ( 3.441 -7.991 -3.206) 9.272 13.206 ( 1.945 2.212 0.206) 2.952 13.250 ( 3.923 6.532 0.935) 7.677 13.616 ( 0.728 -1.935 -2.667) 3.375 13.762 ( -5.392 -4.005 -1.480) 6.878 13.895 ( 0.556 -2.033 5.342) 5.743 14.292 ( 1.716 -9.998 -4.630) 11.150 14.395 ( 1.066 -1.537 -4.225) 4.621 14.500 ( 2.979 6.715 0.030) 7.346 14.733 ( 4.244 -1.287 -3.370) 5.570 ======================= Grid point 83 (33/84) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 28.361 24.291) 37.342 1.398 ( 0.000 30.926 19.733) 36.685 2.303 ( 0.000 49.114 29.193) 57.135 3.444 ( 0.000 9.853 -20.183) 22.460 3.567 ( -0.000 -1.486 -0.541) 1.582 3.615 ( 0.000 3.074 -18.391) 18.647 3.884 ( -0.000 -1.270 1.419) 1.904 3.998 ( -0.000 -2.531 12.107) 12.369 4.050 ( 0.000 1.880 10.501) 10.668 4.227 ( -0.000 -6.447 -0.366) 6.458 4.353 ( 0.000 2.155 8.330) 8.604 4.536 ( -0.000 -8.572 0.086) 8.573 4.809 ( -0.000 -3.305 12.647) 13.072 5.026 ( 0.000 0.666 -5.999) 6.036 5.075 ( 0.000 0.726 -8.148) 8.180 5.231 ( -0.000 -13.721 -0.675) 13.737 5.280 ( -0.000 -0.744 -3.391) 3.472 5.469 ( 0.000 0.650 -4.101) 4.152 5.536 ( 0.000 1.855 -3.922) 4.339 5.614 ( -0.000 -8.032 -2.061) 8.292 5.671 ( 0.000 1.616 0.166) 1.625 5.708 ( 0.000 1.028 1.135) 1.531 5.928 ( -0.000 -7.503 -3.611) 8.327 5.975 ( -0.000 -6.247 0.724) 6.289 7.315 ( 0.000 1.161 0.784) 1.401 7.604 ( -0.000 -1.297 -4.683) 4.860 7.733 ( -0.000 -0.601 -0.029) 0.602 7.870 ( 0.000 0.087 1.819) 1.821 7.923 ( -0.000 -0.165 2.148) 2.155 7.989 ( 0.000 4.976 4.094) 6.444 8.067 ( -0.000 -0.779 -0.534) 0.944 8.113 ( 0.000 3.703 1.409) 3.962 8.167 ( 0.000 0.410 -0.836) 0.931 8.352 ( 0.000 0.829 -0.479) 0.958 8.547 ( -0.000 -4.055 3.655) 5.460 9.405 ( -0.000 -16.570 -16.181) 23.161 9.605 ( 0.000 5.533 0.649) 5.571 9.771 ( 0.000 0.449 -2.149) 2.196 9.928 ( 0.000 4.302 2.923) 5.201 10.109 ( -0.000 -7.101 1.339) 7.226 10.177 ( 0.000 1.016 -7.501) 7.569 10.479 ( -0.000 -3.061 -6.344) 7.044 10.496 ( 0.000 5.983 1.052) 6.075 10.607 ( -0.000 -7.452 3.543) 8.251 10.731 ( -0.000 -2.681 1.694) 3.171 10.901 ( 0.000 0.548 7.852) 7.871 10.933 ( -0.000 -1.044 -8.925) 8.986 11.065 ( -0.000 -2.480 -0.993) 2.672 11.161 ( 0.000 2.963 2.246) 3.718 11.309 ( -0.000 -1.603 -1.127) 1.960 11.393 ( -0.000 -0.528 5.136) 5.163 11.494 ( -0.000 -2.329 0.596) 2.404 11.608 ( 0.000 0.133 0.161) 0.209 11.875 ( -0.000 -0.603 4.266) 4.308 12.010 ( -0.000 -4.660 7.196) 8.573 12.031 ( -0.000 -12.004 -3.387) 12.473 12.035 ( 0.000 7.862 4.269) 8.946 12.233 ( 0.000 4.150 3.002) 5.123 12.311 ( -0.000 -0.354 -1.627) 1.665 12.423 ( 0.000 0.957 4.958) 5.050 12.467 ( 0.000 7.057 1.116) 7.145 12.664 ( 0.000 6.900 5.053) 8.553 13.057 ( 0.000 10.840 -4.476) 11.728 13.169 ( -0.000 -0.991 -4.385) 4.495 13.280 ( -0.000 -6.238 0.370) 6.249 13.596 ( 0.000 9.168 -3.485) 9.808 13.778 ( -0.000 -4.689 2.576) 5.350 13.921 ( -0.000 -0.034 6.903) 6.904 14.396 ( -0.000 -0.047 -3.561) 3.561 14.449 ( -0.000 -7.632 -5.591) 9.461 14.461 ( 0.000 2.431 0.349) 2.456 14.781 ( -0.000 -1.519 -3.576) 3.886 ======================= Grid point 86 (34/84) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 31.787 -0.000 10.448) 33.460 1.974 ( 32.224 -0.000 12.230) 34.467 2.982 ( 42.020 -0.000 24.148) 48.465 3.370 ( 4.093 -0.000 -15.287) 15.825 3.430 ( -1.743 0.000 -18.393) 18.475 3.793 ( 3.618 -0.000 3.238) 4.855 3.909 ( -2.038 0.000 7.089) 7.376 3.990 ( 2.435 -0.000 8.476) 8.819 4.010 ( -3.240 0.000 7.859) 8.501 4.302 ( -0.963 0.000 8.569) 8.623 4.309 ( -3.487 0.000 10.232) 10.810 4.471 ( -13.390 0.000 -2.455) 13.613 4.588 ( -1.864 0.000 -1.986) 2.724 4.709 ( -1.588 0.000 -6.666) 6.853 4.843 ( -18.929 0.000 1.410) 18.982 5.045 ( -7.650 0.000 -0.157) 7.652 5.109 ( -7.437 0.000 -2.410) 7.818 5.489 ( 10.390 -0.000 -14.451) 17.798 5.730 ( 1.040 -0.000 -4.647) 4.762 5.746 ( -2.019 0.000 -2.281) 3.046 5.811 ( -10.088 0.000 0.799) 10.119 5.926 ( 3.327 -0.000 1.288) 3.568 5.953 ( 4.903 -0.000 -1.311) 5.075 5.962 ( -0.539 0.000 1.907) 1.982 7.719 ( 0.732 -0.000 0.528) 0.902 7.766 ( -1.263 0.000 1.160) 1.715 7.805 ( -2.202 0.000 1.713) 2.790 7.831 ( -2.726 0.000 -0.365) 2.750 7.960 ( 7.782 -0.000 3.776) 8.650 8.180 ( -0.726 0.000 -1.419) 1.594 8.401 ( -0.259 0.000 0.245) 0.357 8.474 ( -2.076 0.000 3.552) 4.114 8.535 ( 14.422 -0.000 2.677) 14.669 8.657 ( 12.847 -0.000 -6.596) 14.441 8.711 ( -14.697 0.000 0.531) 14.706 8.756 ( -22.306 0.000 2.804) 22.482 8.961 ( -32.143 0.000 -2.063) 32.210 8.977 ( -2.599 0.000 4.254) 4.985 9.179 ( 9.203 -0.000 5.825) 10.892 9.900 ( 1.658 -0.000 -3.645) 4.005 10.112 ( 4.589 -0.000 -8.807) 9.931 10.151 ( 1.025 -0.000 -0.231) 1.050 10.385 ( -1.199 0.000 -0.535) 1.313 10.689 ( -0.230 0.000 -7.323) 7.326 10.864 ( 0.096 -0.000 -5.307) 5.308 10.901 ( -0.116 0.000 4.410) 4.411 11.052 ( -2.666 0.000 -1.170) 2.912 11.092 ( 3.010 -0.000 -5.250) 6.052 11.425 ( 1.760 -0.000 7.537) 7.740 11.629 ( 3.907 -0.000 4.435) 5.910 11.631 ( 9.381 -0.000 -1.409) 9.487 11.735 ( 4.918 -0.000 -1.761) 5.223 11.751 ( 9.942 -0.000 0.413) 9.951 11.873 ( -6.170 0.000 4.029) 7.369 11.893 ( -6.600 0.000 0.541) 6.622 11.934 ( 5.024 -0.000 0.781) 5.084 12.163 ( -10.017 0.000 -5.364) 11.362 12.174 ( 2.465 -0.000 5.040) 5.610 12.321 ( -5.966 0.000 1.934) 6.272 12.528 ( -1.667 0.000 3.631) 3.996 12.540 ( -2.251 0.000 -2.839) 3.623 12.850 ( 4.164 -0.000 -8.484) 9.450 13.087 ( 4.343 -0.000 2.316) 4.922 13.215 ( 14.126 -0.000 0.036) 14.126 13.321 ( 2.994 -0.000 6.576) 7.225 13.337 ( 0.953 -0.000 0.895) 1.308 13.432 ( 0.252 -0.000 9.708) 9.711 13.834 ( -18.792 0.000 2.560) 18.966 14.140 ( 4.843 -0.000 2.003) 5.241 14.312 ( -15.837 0.000 -3.769) 16.280 14.380 ( 3.661 -0.000 -5.755) 6.821 14.824 ( 3.463 -0.000 -6.213) 7.113 ======================= Grid point 87 (35/84) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 30.667 -2.200 6.884) 31.507 2.463 ( 30.553 -9.042 11.055) 33.726 3.431 ( 2.511 -1.817 -10.375) 10.828 3.460 ( 4.703 -2.569 -9.535) 10.938 3.562 ( 26.176 -5.656 12.957) 29.750 3.651 ( 0.772 10.212 4.504) 11.188 3.785 ( -0.515 14.030 5.640) 15.130 3.936 ( 0.660 -2.736 7.930) 8.414 4.090 ( -4.905 -5.993 8.620) 11.588 4.304 ( -16.725 -2.652 -1.337) 16.987 4.316 ( -0.627 -7.392 1.057) 7.493 4.417 ( -1.990 -7.281 3.278) 8.229 4.594 ( -18.748 -0.226 1.353) 18.798 4.628 ( 4.772 -5.310 0.184) 7.141 4.706 ( 0.590 -1.095 -3.291) 3.518 4.883 ( -5.566 5.998 -2.931) 8.692 5.069 ( -6.601 -2.613 2.286) 7.459 5.550 ( -3.792 9.924 -1.647) 10.750 5.626 ( -9.628 1.944 -0.874) 9.861 5.644 ( 3.294 2.223 -8.096) 9.019 5.765 ( -1.808 0.174 -3.383) 3.840 5.924 ( 1.967 2.830 0.080) 3.448 5.960 ( 2.443 3.354 -0.791) 4.225 5.999 ( 3.687 1.432 -2.182) 4.517 7.712 ( -1.928 -0.036 -0.234) 1.942 7.736 ( -3.598 -0.166 -0.008) 3.602 7.770 ( -8.008 -1.477 -0.775) 8.180 7.805 ( -2.005 -2.402 1.802) 3.610 8.049 ( 2.242 -2.478 1.506) 3.666 8.168 ( -4.706 -1.456 -1.209) 5.072 8.269 ( -18.622 -0.065 4.231) 19.097 8.390 ( -15.207 1.801 2.132) 15.461 8.435 ( -9.738 1.317 3.211) 10.338 8.488 ( -12.192 0.787 -0.998) 12.258 8.578 ( -10.757 2.791 1.630) 11.232 8.738 ( -16.870 -6.561 -0.609) 18.111 8.855 ( 26.467 -1.145 0.810) 26.504 9.170 ( 28.415 -0.682 -6.890) 29.247 9.498 ( 31.532 0.715 9.042) 32.811 9.950 ( 2.542 -3.386 -2.099) 4.726 10.135 ( 1.879 1.387 -3.284) 4.030 10.182 ( 1.793 0.038 -2.630) 3.183 10.360 ( -1.546 1.020 -0.848) 2.037 10.639 ( -0.737 4.199 -7.681) 8.784 10.770 ( -2.076 5.575 0.870) 6.012 10.933 ( -5.166 -5.215 -1.923) 7.588 11.061 ( 1.667 -1.326 -2.384) 3.197 11.149 ( 4.747 -1.219 -4.612) 6.730 11.375 ( -0.120 7.781 5.940) 9.790 11.485 ( 0.515 13.618 3.156) 13.989 11.611 ( 1.856 9.953 -1.015) 10.175 11.723 ( -0.897 4.499 7.513) 8.803 11.824 ( -1.209 -0.462 -0.931) 1.594 11.901 ( -0.262 -3.628 1.363) 3.884 11.911 ( 7.523 -3.942 -0.272) 8.497 12.001 ( -4.767 -0.237 -1.283) 4.942 12.148 ( -2.216 -1.335 0.416) 2.621 12.202 ( -1.351 -1.350 4.465) 4.856 12.280 ( -0.575 -7.342 -1.774) 7.575 12.492 ( 2.159 -0.537 2.084) 3.048 12.568 ( 0.980 -4.067 -2.931) 5.108 12.932 ( -0.076 -4.039 -7.851) 8.829 13.158 ( 2.519 -3.034 1.161) 4.111 13.243 ( -5.884 -0.591 0.355) 5.925 13.304 ( -0.774 3.497 7.693) 8.486 13.410 ( 3.776 -5.065 7.224) 9.597 13.558 ( 10.960 0.376 1.483) 11.067 13.621 ( -15.059 -4.162 2.842) 15.880 14.083 ( -19.021 1.396 -3.839) 19.454 14.202 ( 1.500 -2.316 -0.974) 2.926 14.452 ( 8.552 -0.005 -4.768) 9.791 14.847 ( 3.448 2.513 -5.669) 7.095 ======================= Grid point 88 (36/84) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 27.071 -5.453 4.316) 27.950 2.966 ( 25.420 -8.631 11.117) 29.056 3.275 ( -1.173 21.872 9.346) 23.814 3.320 ( 1.489 23.249 4.963) 23.820 3.540 ( 0.506 -4.683 -4.871) 6.776 3.750 ( 2.427 -9.080 -3.603) 10.065 3.834 ( -2.160 -4.351 -2.012) 5.258 4.077 ( -15.669 -3.261 1.184) 16.048 4.174 ( -6.829 -11.925 4.469) 14.450 4.265 ( 4.051 -8.554 0.285) 9.469 4.324 ( 3.354 -1.831 -1.628) 4.153 4.371 ( -13.969 -1.608 0.753) 14.081 4.515 ( 1.435 -3.796 -1.338) 4.273 4.685 ( 2.678 0.621 1.980) 3.388 4.798 ( 1.332 -3.375 0.847) 3.725 4.947 ( 8.699 -11.122 3.078) 14.451 5.005 ( -5.043 0.776 5.994) 7.871 5.211 ( -7.148 19.781 2.584) 21.191 5.457 ( -12.811 -1.369 2.424) 13.109 5.684 ( -1.290 2.610 -3.643) 4.663 5.738 ( 4.334 1.895 -9.136) 10.288 5.887 ( 0.310 4.899 -3.721) 6.159 5.907 ( 0.969 4.938 -1.573) 5.272 6.004 ( 2.899 3.323 -2.820) 5.234 7.631 ( -9.267 1.263 -0.899) 9.396 7.675 ( -10.476 -1.495 -1.207) 10.650 7.719 ( -1.963 -1.691 -2.134) 3.357 7.823 ( -2.271 -2.265 0.181) 3.213 7.945 ( -19.366 -1.900 2.487) 19.618 8.061 ( -13.659 -1.683 0.021) 13.763 8.181 ( 1.324 -3.410 2.709) 4.552 8.253 ( -0.991 0.881 -1.038) 1.684 8.355 ( -4.325 0.883 1.453) 4.647 8.412 ( -5.009 0.805 3.408) 6.112 8.451 ( -2.551 1.598 0.302) 3.025 8.678 ( -11.141 -8.466 -0.914) 14.022 9.221 ( 29.106 -0.910 -0.010) 29.120 9.524 ( 27.076 0.789 -5.432) 27.627 9.876 ( 27.321 -0.785 4.511) 27.702 10.061 ( 4.152 -4.819 0.103) 6.362 10.124 ( 0.719 2.149 -3.293) 3.997 10.187 ( 0.884 -0.454 2.926) 3.090 10.301 ( -3.812 2.230 -2.625) 5.137 10.591 ( 0.829 1.280 -4.510) 4.761 10.669 ( -2.510 3.537 3.130) 5.349 10.948 ( -6.397 -5.351 -2.190) 8.623 11.104 ( -0.098 -1.809 -1.413) 2.298 11.154 ( 2.196 12.839 -0.379) 13.031 11.243 ( 2.375 10.408 -0.281) 10.679 11.331 ( 4.027 -0.225 -0.503) 4.064 11.496 ( 2.366 8.229 -3.077) 9.098 11.625 ( -4.487 2.611 5.425) 7.509 11.818 ( -2.811 4.686 -2.542) 6.026 11.861 ( -3.433 4.093 -2.115) 5.745 11.894 ( -4.236 0.512 3.193) 5.330 12.058 ( 0.757 -3.411 2.130) 4.092 12.110 ( -1.426 -1.821 5.252) 5.739 12.172 ( -2.947 -2.606 4.801) 6.207 12.453 ( 1.447 -6.960 0.664) 7.140 12.566 ( -3.730 -5.495 2.953) 7.268 12.709 ( 11.490 -4.363 -5.424) 13.434 12.938 ( -0.165 2.736 -5.813) 6.427 13.101 ( -6.857 1.696 1.361) 7.194 13.163 ( 2.471 7.279 4.550) 8.932 13.356 ( -0.111 -5.538 4.103) 6.893 13.481 ( -9.401 -5.159 3.553) 11.297 13.562 ( -2.135 -13.269 0.711) 13.459 13.737 ( 7.304 -0.569 0.831) 7.373 13.823 ( -17.832 0.385 -2.496) 18.010 14.254 ( 1.739 -2.326 -3.175) 4.303 14.577 ( 8.083 -1.919 -3.735) 9.108 14.830 ( 2.894 4.906 -4.777) 7.434 ======================= Grid point 89 (37/84) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -3.297 26.504 12.495) 29.487 2.883 ( -0.095 29.519 7.364) 30.424 3.205 ( 22.636 -5.009 1.883) 23.260 3.469 ( 23.487 -7.405 11.086) 27.007 3.623 ( -0.678 -5.398 -2.617) 6.037 3.814 ( -12.729 -2.099 -1.966) 13.050 3.871 ( -7.770 -2.238 -2.977) 8.616 3.952 ( -5.768 -7.104 2.156) 9.401 4.164 ( -10.141 0.063 -4.385) 11.049 4.229 ( -5.989 1.975 -2.038) 6.627 4.308 ( -1.610 -7.363 -8.423) 11.303 4.400 ( -3.384 -7.879 -3.696) 9.337 4.691 ( -4.211 26.346 5.708) 27.284 4.722 ( 4.842 0.347 7.370) 8.825 4.845 ( 12.808 -12.113 4.226) 18.128 4.870 ( -3.830 -1.071 11.181) 11.867 4.985 ( 1.442 -6.850 2.526) 7.442 5.299 ( 8.327 -10.852 0.170) 13.680 5.400 ( -7.189 -8.942 1.193) 11.535 5.582 ( -4.501 3.763 -3.171) 6.669 5.734 ( 0.568 5.649 -6.967) 8.988 5.803 ( 1.449 4.677 -6.326) 7.999 5.843 ( -0.728 4.037 -2.956) 5.056 5.968 ( 1.349 4.563 -2.238) 5.258 7.476 ( -8.359 2.944 -0.365) 8.870 7.579 ( -8.374 -1.771 -3.815) 9.371 7.715 ( -3.682 -1.589 -0.973) 4.127 7.778 ( -6.365 -3.332 0.968) 7.249 7.866 ( -2.041 -2.321 -0.040) 3.091 7.990 ( -4.975 -3.249 -0.273) 5.948 8.224 ( -0.745 2.337 0.071) 2.454 8.256 ( 1.327 -2.069 0.371) 2.486 8.299 ( -1.244 2.236 1.217) 2.833 8.316 ( -3.823 1.737 1.208) 4.369 8.443 ( -0.544 -1.159 0.749) 1.483 8.732 ( -4.933 -11.394 -3.571) 12.919 9.583 ( 26.818 -0.540 -0.542) 26.828 9.778 ( 17.678 3.538 -3.280) 18.324 10.025 ( 0.630 2.106 -1.721) 2.792 10.082 ( -7.792 1.767 1.761) 8.182 10.193 ( 1.538 -6.514 3.883) 7.738 10.261 ( 3.852 -2.810 -1.436) 4.979 10.315 ( 11.433 -1.672 -0.182) 11.556 10.583 ( -3.986 0.488 5.278) 6.632 10.656 ( 7.267 -2.935 0.353) 7.845 10.885 ( 0.678 12.302 -0.430) 12.328 10.941 ( -7.055 1.694 -1.195) 7.353 11.081 ( -5.056 1.226 3.955) 6.535 11.223 ( 7.228 1.297 -5.274) 9.042 11.405 ( 5.141 5.884 -4.854) 9.198 11.486 ( 5.205 -5.694 -2.698) 8.173 11.558 ( -3.783 -0.010 -0.984) 3.909 11.639 ( -2.365 10.684 -2.670) 11.264 11.676 ( -8.403 5.986 -1.867) 10.485 11.908 ( -2.726 -1.163 6.396) 7.049 12.015 ( -2.550 1.308 8.080) 8.573 12.178 ( -0.626 -4.481 4.072) 6.087 12.227 ( 0.850 -4.367 2.535) 5.120 12.418 ( -12.571 1.423 0.586) 12.665 12.604 ( -0.354 -3.566 5.149) 6.273 12.828 ( 2.563 2.287 -4.207) 5.431 12.886 ( 5.108 7.580 -3.902) 9.938 13.043 ( -1.624 5.571 1.957) 6.123 13.174 ( 11.355 -3.556 3.940) 12.534 13.387 ( -3.972 -4.913 -1.211) 6.433 13.485 ( -1.509 -1.337 5.098) 5.482 13.579 ( -16.750 -2.932 -2.242) 17.152 13.796 ( 0.951 -14.129 -2.079) 14.312 13.854 ( 1.351 -5.753 1.229) 6.036 14.322 ( 2.049 -3.149 -3.413) 5.076 14.689 ( 4.544 -1.911 -3.510) 6.051 14.764 ( 1.805 7.404 -3.499) 8.386 ======================= Grid point 90 (38/84) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 29.511 16.063) 33.600 2.397 ( 0.000 32.375 9.542) 33.752 3.480 ( -0.000 -3.917 -0.128) 3.919 3.622 ( 0.000 22.550 5.391) 23.185 3.651 ( -0.000 -0.121 -1.903) 1.907 3.675 ( -0.000 -1.446 -6.840) 6.991 3.862 ( -0.000 -7.592 14.803) 16.636 3.994 ( 0.000 6.840 -6.784) 9.634 4.022 ( 0.000 2.599 2.949) 3.931 4.077 ( 0.000 0.325 -10.793) 10.798 4.340 ( 0.000 8.517 2.131) 8.780 4.516 ( -0.000 -4.402 4.984) 6.649 4.540 ( -0.000 -16.414 -1.166) 16.455 4.739 ( -0.000 -3.470 5.036) 6.116 4.881 ( -0.000 -4.311 12.098) 12.843 5.107 ( -0.000 -7.506 0.899) 7.560 5.156 ( -0.000 -14.805 0.105) 14.805 5.366 ( 0.000 6.998 -4.997) 8.599 5.550 ( -0.000 -6.619 2.926) 7.237 5.602 ( -0.000 -13.578 -1.831) 13.701 5.624 ( 0.000 5.479 -9.289) 10.784 5.741 ( 0.000 5.569 -6.146) 8.293 5.782 ( 0.000 2.928 -3.145) 4.297 5.907 ( 0.000 3.793 -0.324) 3.807 7.375 ( 0.000 2.748 -0.019) 2.748 7.550 ( -0.000 -1.940 -4.656) 5.044 7.715 ( -0.000 -1.473 -0.059) 1.474 7.795 ( -0.000 -3.163 1.341) 3.435 7.892 ( -0.000 -2.400 -2.169) 3.235 8.011 ( -0.000 -2.845 -0.174) 2.851 8.159 ( 0.000 4.950 1.427) 5.152 8.220 ( 0.000 3.190 0.633) 3.252 8.245 ( 0.000 3.786 0.561) 3.827 8.333 ( -0.000 -2.798 -1.125) 3.015 8.462 ( -0.000 -1.636 0.990) 1.913 8.901 ( -0.000 -14.430 -7.517) 16.271 9.802 ( 0.000 4.740 -2.009) 5.148 9.837 ( 0.000 4.243 -3.302) 5.376 9.940 ( -0.000 -3.135 1.572) 3.507 10.019 ( 0.000 0.713 4.869) 4.921 10.260 ( 0.000 0.683 5.270) 5.314 10.337 ( -0.000 -4.505 -6.352) 7.787 10.404 ( -0.000 -2.304 2.841) 3.658 10.597 ( -0.000 -5.127 2.772) 5.828 10.708 ( 0.000 9.667 0.776) 9.698 10.859 ( -0.000 -8.039 0.247) 8.042 10.885 ( -0.000 -0.926 -3.123) 3.258 10.988 ( 0.000 2.177 7.312) 7.629 11.261 ( 0.000 0.589 -10.684) 10.700 11.426 ( 0.000 11.964 -3.539) 12.477 11.447 ( 0.000 0.324 1.623) 1.655 11.518 ( -0.000 -2.046 -3.928) 4.429 11.518 ( 0.000 6.003 0.156) 6.005 11.652 ( -0.000 -9.278 -3.013) 9.755 11.871 ( 0.000 0.219 6.369) 6.373 11.993 ( 0.000 0.885 8.538) 8.584 12.237 ( -0.000 -3.565 2.914) 4.604 12.245 ( 0.000 5.371 1.862) 5.684 12.301 ( -0.000 -2.845 1.216) 3.094 12.583 ( 0.000 6.140 6.001) 8.586 12.766 ( 0.000 10.655 -1.154) 10.717 12.844 ( -0.000 -0.312 0.237) 0.392 12.961 ( 0.000 0.385 1.222) 1.281 13.272 ( 0.000 3.549 -0.710) 3.620 13.395 ( 0.000 6.535 2.613) 7.038 13.542 ( -0.000 -9.641 -3.614) 10.296 13.552 ( -0.000 -9.961 0.893) 10.001 13.888 ( -0.000 -1.657 3.941) 4.275 14.078 ( -0.000 -16.490 -4.738) 17.158 14.384 ( -0.000 -2.615 -3.463) 4.340 14.644 ( 0.000 9.000 -1.801) 9.179 14.744 ( -0.000 -1.193 -3.415) 3.617 ======================= Grid point 95 (39/84) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 28.971 -0.000 5.365) 29.464 2.761 ( 30.604 -0.000 6.830) 31.357 3.434 ( 2.095 -0.000 -8.525) 8.779 3.484 ( 5.270 -0.000 -7.765) 9.385 3.738 ( 3.101 -0.000 4.280) 5.285 3.841 ( -4.182 0.000 6.902) 8.070 3.861 ( -8.210 0.000 8.019) 11.476 3.965 ( 22.618 -0.000 11.344) 25.304 4.070 ( -16.790 0.000 0.589) 16.800 4.110 ( 5.631 -0.000 1.412) 5.805 4.197 ( -3.766 0.000 1.617) 4.099 4.278 ( -11.505 0.000 3.836) 12.128 4.334 ( -7.280 0.000 5.694) 9.243 4.664 ( 4.950 -0.000 -1.055) 5.061 4.696 ( 0.460 -0.000 -4.622) 4.644 4.876 ( -5.747 0.000 0.002) 5.747 4.962 ( -4.222 0.000 -3.253) 5.330 5.443 ( -17.903 0.000 4.554) 18.473 5.593 ( -4.670 0.000 -0.592) 4.707 5.711 ( -1.998 0.000 -0.238) 2.012 5.762 ( 6.574 -0.000 -9.951) 11.926 5.956 ( -0.041 0.000 -0.630) 0.632 6.025 ( 2.741 -0.000 -2.073) 3.437 6.055 ( 3.043 -0.000 -3.553) 4.678 7.633 ( -10.453 0.000 -0.278) 10.456 7.675 ( -6.699 0.000 0.062) 6.699 7.701 ( -1.177 0.000 0.035) 1.177 7.758 ( -1.672 0.000 2.456) 2.971 7.917 ( -18.691 0.000 0.839) 18.709 8.021 ( -16.622 0.000 -0.996) 16.652 8.123 ( -0.314 0.000 4.920) 4.930 8.286 ( -2.750 0.000 -0.269) 2.763 8.377 ( -3.535 0.000 3.628) 5.066 8.382 ( -3.770 0.000 1.210) 3.960 8.515 ( -5.805 0.000 -0.189) 5.808 8.541 ( -8.482 0.000 1.772) 8.665 9.183 ( 27.161 -0.000 2.685) 27.293 9.529 ( 28.572 -0.000 -7.341) 29.500 9.861 ( 25.272 -0.000 4.771) 25.718 9.950 ( 2.751 -0.000 -3.416) 4.386 10.148 ( -0.506 0.000 2.403) 2.455 10.239 ( 5.225 -0.000 -7.116) 8.828 10.343 ( -2.199 0.000 -0.388) 2.233 10.670 ( -1.368 0.000 -4.711) 4.905 10.674 ( -13.213 0.000 -4.363) 13.915 10.880 ( -0.973 0.000 -0.372) 1.042 11.067 ( 1.936 -0.000 -0.504) 2.001 11.200 ( 6.117 -0.000 -4.807) 7.780 11.425 ( -1.985 0.000 7.583) 7.838 11.635 ( -2.531 0.000 5.345) 5.914 11.657 ( -2.741 0.000 4.472) 5.245 11.761 ( -3.300 0.000 0.548) 3.345 11.788 ( -0.580 0.000 2.137) 2.214 11.867 ( 4.914 -0.000 1.167) 5.051 11.884 ( -6.466 0.000 -3.137) 7.187 11.968 ( 0.916 -0.000 -0.805) 1.220 12.117 ( -9.112 0.000 6.479) 11.180 12.169 ( -2.959 0.000 0.565) 3.013 12.303 ( 18.180 -0.000 -3.637) 18.541 12.544 ( 2.718 -0.000 -3.886) 4.742 12.568 ( 6.665 -0.000 3.187) 7.388 12.902 ( 1.180 -0.000 -10.466) 10.532 13.081 ( -2.709 0.000 0.466) 2.749 13.196 ( -3.898 0.000 -1.413) 4.146 13.310 ( -20.386 0.000 1.401) 20.434 13.333 ( -0.943 0.000 4.886) 4.977 13.449 ( 3.929 -0.000 12.653) 13.249 13.742 ( 11.156 -0.000 1.048) 11.205 13.847 ( -19.735 0.000 -3.229) 19.997 14.206 ( 1.743 -0.000 -1.290) 2.169 14.544 ( 6.714 -0.000 -5.095) 8.428 14.903 ( 2.487 -0.000 -5.624) 6.150 ======================= Grid point 96 (40/84) ======================= q-point: ( 0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 25.592 -1.056 3.041) 25.793 3.171 ( 24.298 -5.894 7.091) 25.989 3.478 ( 0.868 -0.693 -1.654) 1.993 3.558 ( -3.559 13.988 5.185) 15.336 3.590 ( 5.222 -0.825 -0.712) 5.334 3.752 ( -2.254 1.682 1.794) 3.336 3.810 ( 0.181 7.111 0.059) 7.114 3.839 ( -15.314 2.420 1.981) 15.630 3.920 ( -7.628 0.464 3.847) 8.556 4.009 ( -21.211 -4.002 0.402) 21.589 4.307 ( 3.671 -11.205 1.390) 11.873 4.328 ( 0.783 -2.811 -3.531) 4.580 4.529 ( 18.880 -5.749 10.154) 22.195 4.714 ( 2.091 -0.873 -0.882) 2.431 4.775 ( -2.134 0.948 -1.070) 2.568 4.829 ( 3.953 -11.539 0.356) 12.203 4.942 ( -3.211 -1.490 -0.126) 3.542 5.225 ( -17.704 -2.217 5.616) 18.706 5.418 ( -4.218 13.815 2.124) 14.600 5.694 ( -1.418 0.653 -0.449) 1.625 5.830 ( 5.319 1.479 -7.386) 9.222 5.929 ( -1.673 1.937 -3.544) 4.371 6.008 ( 1.159 5.108 -3.147) 6.110 6.074 ( 1.761 1.610 -3.574) 4.298 7.524 ( -7.330 -0.020 -0.525) 7.349 7.568 ( -7.511 0.418 0.686) 7.554 7.682 ( -2.039 0.188 -1.109) 2.328 7.728 ( -7.539 0.938 0.983) 7.660 7.778 ( -2.256 -3.068 2.824) 4.741 7.874 ( -8.674 -3.660 -1.074) 9.475 8.151 ( 0.879 -2.308 2.976) 3.868 8.277 ( 1.270 1.217 -0.085) 1.761 8.349 ( 0.286 0.735 1.498) 1.693 8.374 ( -1.149 -0.805 2.605) 2.959 8.433 ( -4.241 1.786 -0.000) 4.602 8.489 ( -4.674 -4.044 1.866) 6.456 9.511 ( 20.864 -3.649 3.577) 21.481 9.833 ( 19.712 0.944 -5.496) 20.486 10.019 ( 4.180 -2.579 -3.115) 5.816 10.089 ( 7.490 0.131 -3.520) 8.277 10.145 ( 1.442 1.102 -0.699) 1.945 10.245 ( -1.379 3.587 -3.249) 5.032 10.300 ( 0.375 0.269 -0.885) 0.998 10.550 ( -10.013 -4.332 -0.895) 10.947 10.644 ( 0.221 2.072 -0.869) 2.257 10.872 ( -0.472 -0.388 -1.586) 1.699 11.089 ( 0.547 -0.107 0.271) 0.620 11.294 ( 7.262 -0.044 -3.423) 8.029 11.374 ( -0.059 1.772 3.527) 3.948 11.477 ( -1.696 12.483 0.719) 12.618 11.590 ( -3.227 4.125 2.223) 5.690 11.653 ( -1.786 8.193 2.850) 8.857 11.782 ( -4.631 2.671 -1.814) 5.645 11.834 ( 1.425 -2.977 4.732) 5.770 11.951 ( 3.368 0.606 0.690) 3.491 12.001 ( -9.377 -1.914 8.367) 12.712 12.020 ( 0.622 -3.478 -0.695) 3.601 12.110 ( -3.967 0.032 2.725) 4.813 12.462 ( 6.578 0.508 2.218) 6.960 12.540 ( 1.134 3.218 1.460) 3.711 12.795 ( 15.888 -6.992 -6.137) 18.412 12.932 ( 0.347 -2.207 -7.911) 8.220 13.085 ( -5.312 0.730 -2.271) 5.822 13.145 ( -3.519 -7.303 -2.264) 8.417 13.202 ( -7.114 -8.563 0.002) 11.133 13.278 ( -3.952 1.422 1.701) 4.531 13.496 ( 1.588 -0.700 13.006) 13.122 13.596 ( -15.859 1.665 -0.669) 15.960 13.853 ( 5.849 0.626 1.029) 5.972 14.239 ( 1.171 -1.806 -2.183) 3.066 14.623 ( 3.958 -1.565 -4.782) 6.402 14.910 ( 1.392 2.164 -5.228) 5.827 ======================= Grid point 97 (41/84) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 0.000 23.601 9.921) 25.601 3.278 ( 0.000 11.365 4.491) 12.220 3.368 ( 0.000 4.561 1.962) 4.965 3.547 ( -0.000 -3.317 1.833) 3.789 3.611 ( 0.000 0.579 1.387) 1.503 3.624 ( -0.000 -2.160 5.355) 5.775 3.724 ( -0.000 -2.375 3.095) 3.901 3.798 ( -0.000 -6.292 -0.014) 6.292 3.973 ( -0.000 -11.360 -1.589) 11.471 4.038 ( -0.000 -14.019 1.105) 14.062 4.285 ( 0.000 4.083 -11.601) 12.298 4.420 ( 0.000 1.885 -8.181) 8.395 4.732 ( -0.000 -3.945 3.812) 5.485 4.781 ( -0.000 -5.100 7.651) 9.195 4.809 ( -0.000 -5.467 7.750) 9.484 4.928 ( -0.000 -0.360 2.072) 2.103 5.079 ( 0.000 21.831 3.355) 22.087 5.109 ( -0.000 -17.546 -0.435) 17.551 5.190 ( -0.000 -6.487 5.065) 8.230 5.640 ( 0.000 4.840 -1.099) 4.963 5.826 ( 0.000 4.252 -5.750) 7.151 5.874 ( 0.000 2.879 -6.610) 7.210 5.917 ( 0.000 6.639 -3.169) 7.357 6.043 ( 0.000 3.688 -3.086) 4.809 7.461 ( 0.000 1.603 -0.787) 1.785 7.516 ( 0.000 0.325 -1.441) 1.477 7.646 ( -0.000 -1.248 1.906) 2.278 7.706 ( -0.000 -1.992 -1.423) 2.448 7.817 ( -0.000 -2.974 1.470) 3.318 7.894 ( -0.000 -4.481 -1.165) 4.630 8.205 ( -0.000 -3.629 1.282) 3.849 8.267 ( 0.000 1.489 0.824) 1.702 8.322 ( 0.000 2.309 1.875) 2.974 8.343 ( 0.000 3.554 0.017) 3.554 8.412 ( -0.000 -2.059 1.372) 2.474 8.555 ( -0.000 -7.901 -0.186) 7.903 9.775 ( -0.000 -7.951 2.927) 8.473 9.953 ( 0.000 2.821 -3.237) 4.294 9.963 ( 0.000 4.790 -2.293) 5.311 10.087 ( 0.000 5.421 -5.107) 7.447 10.162 ( 0.000 0.025 0.222) 0.223 10.178 ( -0.000 -6.045 -2.934) 6.720 10.455 ( -0.000 -6.045 -4.396) 7.474 10.468 ( 0.000 0.584 4.186) 4.226 10.652 ( -0.000 -1.519 3.387) 3.712 10.874 ( -0.000 -0.328 -1.873) 1.901 11.071 ( 0.000 2.080 4.618) 5.065 11.198 ( 0.000 19.406 -0.295) 19.408 11.322 ( 0.000 2.929 -1.099) 3.128 11.436 ( -0.000 -5.028 -4.526) 6.766 11.508 ( 0.000 2.257 -0.784) 2.389 11.537 ( 0.000 4.925 0.853) 4.998 11.688 ( 0.000 4.533 -2.030) 4.967 11.818 ( 0.000 10.899 -3.531) 11.457 11.877 ( 0.000 0.038 7.401) 7.401 12.003 ( -0.000 -1.366 8.437) 8.547 12.095 ( -0.000 -5.083 4.947) 7.093 12.143 ( -0.000 -6.257 2.297) 6.665 12.424 ( 0.000 6.910 -0.578) 6.934 12.540 ( -0.000 -3.451 6.077) 6.989 12.893 ( 0.000 2.704 -6.887) 7.398 13.049 ( 0.000 6.498 -4.458) 7.880 13.113 ( 0.000 2.241 -2.421) 3.299 13.166 ( -0.000 -7.572 -3.229) 8.232 13.181 ( -0.000 -13.265 -0.777) 13.288 13.414 ( 0.000 4.872 4.503) 6.634 13.476 ( -0.000 -20.675 -2.471) 20.822 13.522 ( 0.000 0.184 9.971) 9.973 13.875 ( 0.000 0.903 1.134) 1.450 14.285 ( -0.000 -2.982 -2.847) 4.123 14.681 ( -0.000 -2.467 -4.164) 4.840 14.867 ( 0.000 4.606 -4.529) 6.460 ======================= Grid point 105 (42/84) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 0.000 -0.000 3.499) 3.499 3.306 ( 0.000 -0.000 4.233) 4.233 3.510 ( 0.000 -0.000 2.156) 2.156 3.544 ( -0.000 0.000 0.005) 0.005 3.634 ( -0.000 0.000 3.835) 3.835 3.714 ( 0.000 -0.000 -0.643) 0.643 3.736 ( 0.000 -0.000 1.057) 1.057 3.754 ( 0.000 -0.000 -4.308) 4.308 3.887 ( 0.000 -0.000 6.946) 6.946 4.151 ( 0.000 -0.000 0.872) 0.872 4.173 ( 0.000 -0.000 2.390) 2.390 4.206 ( 0.000 -0.000 -0.054) 0.054 4.672 ( 0.000 -0.000 10.581) 10.581 4.736 ( -0.000 0.000 1.028) 1.028 4.739 ( 0.000 -0.000 -1.229) 1.229 4.772 ( 0.000 -0.000 -2.290) 2.290 4.908 ( 0.000 -0.000 -3.754) 3.754 5.039 ( 0.000 -0.000 7.369) 7.369 5.510 ( 0.000 -0.000 1.545) 1.545 5.682 ( 0.000 -0.000 0.674) 0.674 5.891 ( 0.000 -0.000 -3.995) 3.995 5.918 ( -0.000 0.000 -6.159) 6.159 6.062 ( 0.000 -0.000 -2.962) 2.962 6.094 ( 0.000 -0.000 -4.401) 4.401 7.481 ( 0.000 -0.000 0.635) 0.635 7.509 ( 0.000 -0.000 1.103) 1.103 7.680 ( 0.000 -0.000 -0.964) 0.964 7.715 ( 0.000 -0.000 1.071) 1.071 7.731 ( 0.000 -0.000 2.864) 2.864 7.772 ( 0.000 -0.000 -1.549) 1.549 8.138 ( 0.000 -0.000 3.178) 3.178 8.298 ( 0.000 -0.000 0.237) 0.237 8.363 ( 0.000 -0.000 1.293) 1.293 8.366 ( 0.000 -0.000 2.523) 2.523 8.414 ( -0.000 0.000 -0.407) 0.407 8.424 ( 0.000 -0.000 3.098) 3.098 9.602 ( 0.000 -0.000 6.918) 6.918 9.980 ( 0.000 -0.000 -4.303) 4.303 10.053 ( 0.000 -0.000 -4.697) 4.697 10.179 ( 0.000 -0.000 -8.902) 8.902 10.193 ( 0.000 -0.000 -8.374) 8.374 10.219 ( -0.000 0.000 1.890) 1.890 10.258 ( -0.000 0.000 -5.428) 5.428 10.427 ( -0.000 0.000 3.793) 3.793 10.671 ( 0.000 -0.000 -0.203) 0.203 10.866 ( 0.000 -0.000 -2.502) 2.502 11.096 ( 0.000 -0.000 -0.237) 0.237 11.347 ( 0.000 -0.000 -4.833) 4.833 11.381 ( 0.000 -0.000 4.819) 4.819 11.510 ( -0.000 0.000 0.007) 0.007 11.623 ( 0.000 -0.000 6.831) 6.831 11.780 ( 0.000 -0.000 1.412) 1.412 11.783 ( 0.000 -0.000 1.178) 1.178 11.837 ( 0.000 -0.000 6.857) 6.857 11.852 ( -0.000 0.000 7.804) 7.804 11.975 ( 0.000 -0.000 2.221) 2.221 12.010 ( 0.000 -0.000 -1.226) 1.226 12.078 ( 0.000 -0.000 0.217) 0.217 12.502 ( 0.000 -0.000 7.074) 7.074 12.631 ( 0.000 -0.000 -2.302) 2.302 12.841 ( 0.000 -0.000 -4.219) 4.219 12.916 ( 0.000 -0.000 -10.688) 10.688 12.974 ( 0.000 -0.000 -1.335) 1.335 13.039 ( 0.000 -0.000 -0.308) 0.308 13.178 ( 0.000 -0.000 -3.045) 3.045 13.221 ( 0.000 -0.000 -6.381) 6.381 13.504 ( 0.000 -0.000 14.266) 14.266 13.515 ( 0.000 -0.000 4.615) 4.615 13.896 ( 0.000 -0.000 0.921) 0.921 14.231 ( 0.000 -0.000 -1.874) 1.874 14.634 ( 0.000 -0.000 -5.169) 5.169 14.935 ( 0.000 -0.000 -5.373) 5.373 ======================= Grid point 134 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 0.000 34.340) 34.340 1.531 ( 0.000 0.000 36.708) 36.708 2.559 ( 0.000 0.000 53.361) 53.361 2.746 ( 0.000 0.000 -24.834) 24.834 2.937 ( 0.000 0.000 -31.918) 31.918 3.779 ( 0.000 0.000 10.478) 10.478 4.008 ( 0.000 0.000 4.009) 4.009 4.194 ( 0.000 0.000 -4.535) 4.535 4.212 ( 0.000 0.000 9.234) 9.234 4.415 ( 0.000 0.000 14.636) 14.636 4.470 ( 0.000 0.000 1.551) 1.551 4.505 ( 0.000 0.000 -28.699) 28.699 4.757 ( 0.000 0.000 5.877) 5.877 4.775 ( 0.000 0.000 -9.774) 9.774 5.141 ( 0.000 0.000 -14.965) 14.965 5.171 ( 0.000 0.000 15.521) 15.521 5.209 ( 0.000 0.000 -11.961) 11.961 5.453 ( 0.000 0.000 6.256) 6.256 5.649 ( 0.000 0.000 6.407) 6.407 5.666 ( 0.000 0.000 -2.656) 2.656 5.671 ( 0.000 0.000 -8.005) 8.005 5.841 ( 0.000 0.000 7.062) 7.062 5.934 ( 0.000 0.000 -6.814) 6.814 6.061 ( 0.000 0.000 -2.556) 2.556 7.341 ( 0.000 0.000 2.996) 2.996 7.523 ( 0.000 0.000 -5.332) 5.332 7.815 ( 0.000 0.000 2.802) 2.802 7.843 ( 0.000 0.000 0.801) 0.801 8.007 ( 0.000 0.000 3.554) 3.554 8.066 ( 0.000 0.000 8.779) 8.779 8.068 ( 0.000 0.000 -0.061) 0.061 8.106 ( 0.000 0.000 2.079) 2.079 8.154 ( 0.000 0.000 -0.753) 0.753 8.328 ( 0.000 0.000 -1.979) 1.979 8.773 ( 0.000 0.000 6.507) 6.507 9.318 ( 0.000 0.000 -18.724) 18.724 9.536 ( 0.000 0.000 1.389) 1.389 9.723 ( 0.000 0.000 -5.853) 5.853 9.803 ( 0.000 0.000 -0.004) 0.004 9.969 ( 0.000 0.000 -7.999) 7.999 10.296 ( 0.000 0.000 0.789) 0.789 10.373 ( 0.000 0.000 1.603) 1.603 10.453 ( 0.000 0.000 -7.197) 7.197 10.615 ( 0.000 0.000 -9.545) 9.545 10.938 ( 0.000 0.000 3.751) 3.751 11.017 ( 0.000 0.000 8.679) 8.679 11.020 ( 0.000 0.000 7.012) 7.012 11.046 ( 0.000 0.000 -1.501) 1.501 11.212 ( 0.000 0.000 0.815) 0.815 11.306 ( 0.000 0.000 -2.693) 2.693 11.551 ( 0.000 0.000 2.356) 2.356 11.620 ( 0.000 0.000 2.343) 2.343 11.690 ( 0.000 0.000 16.397) 16.397 11.955 ( 0.000 0.000 5.563) 5.563 12.049 ( 0.000 0.000 9.168) 9.168 12.096 ( 0.000 0.000 3.234) 3.234 12.180 ( 0.000 0.000 -4.926) 4.926 12.219 ( 0.000 0.000 -7.644) 7.644 12.357 ( 0.000 0.000 -4.920) 4.920 12.364 ( 0.000 0.000 -3.647) 3.647 12.381 ( 0.000 0.000 5.559) 5.559 12.611 ( 0.000 0.000 -3.674) 3.674 12.739 ( 0.000 0.000 -6.695) 6.695 12.784 ( 0.000 0.000 -3.890) 3.890 13.395 ( 0.000 0.000 2.136) 2.136 13.413 ( 0.000 0.000 -1.188) 1.188 13.963 ( 0.000 0.000 8.253) 8.253 14.099 ( 0.000 0.000 7.133) 7.133 14.344 ( 0.000 0.000 -4.266) 4.266 14.397 ( 0.000 0.000 -10.204) 10.204 14.462 ( 0.000 0.000 5.121) 5.121 14.722 ( 0.000 0.000 -5.836) 5.836 ======================= Grid point 135 (44/84) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 7.274 -14.382 31.057) 34.990 1.700 ( 10.220 -13.771 30.760) 35.217 2.758 ( 10.430 -13.650 28.665) 33.418 2.846 ( 5.826 -10.610 -4.881) 13.052 2.978 ( 0.696 -4.657 -30.053) 30.420 3.760 ( -0.027 3.597 9.789) 10.429 4.007 ( 2.280 0.994 4.031) 4.737 4.160 ( -1.165 3.782 -2.048) 4.456 4.220 ( -1.796 -0.654 6.179) 6.468 4.404 ( -0.226 1.216 11.539) 11.605 4.451 ( 2.214 1.913 0.212) 2.934 4.575 ( 3.571 -4.293 -16.465) 17.386 4.718 ( -0.640 0.704 -4.458) 4.559 4.814 ( -3.105 -4.164 -4.285) 6.734 5.070 ( -8.428 1.626 2.706) 9.000 5.125 ( -3.213 0.263 -6.014) 6.823 5.249 ( 3.019 0.575 -6.419) 7.116 5.409 ( -7.012 -0.711 2.531) 7.489 5.556 ( -2.584 4.714 2.572) 5.960 5.635 ( 0.096 4.828 -4.954) 6.918 5.736 ( 6.496 1.458 0.302) 6.664 5.824 ( 1.146 3.155 5.852) 6.747 5.904 ( 0.012 3.873 -5.886) 7.046 6.027 ( -1.066 3.388 -2.427) 4.301 7.400 ( 9.042 -0.118 2.774) 9.459 7.575 ( 8.917 0.734 -5.288) 10.393 7.793 ( 0.685 2.284 2.463) 3.428 7.863 ( 0.370 -1.164 -0.007) 1.222 8.004 ( -1.672 0.254 4.320) 4.639 8.028 ( 0.691 -0.781 3.820) 3.960 8.126 ( 3.465 -0.511 1.204) 3.703 8.135 ( 2.797 -1.042 1.523) 3.351 8.227 ( 11.470 1.104 -0.117) 11.523 8.351 ( 4.124 0.053 -1.900) 4.541 8.738 ( 1.264 5.109 7.376) 9.061 9.253 ( 0.642 7.313 -16.523) 18.080 9.503 ( -9.957 -2.484 2.512) 10.565 9.667 ( -8.671 2.685 -3.805) 9.842 9.826 ( -1.243 -5.862 -2.166) 6.372 9.941 ( -6.055 -3.025 -6.883) 9.654 10.258 ( -5.464 2.657 0.643) 6.110 10.330 ( -11.570 -0.047 -0.757) 11.595 10.379 ( -14.297 1.509 -1.354) 14.440 10.483 ( -6.352 0.490 -8.260) 10.432 10.882 ( -15.944 -1.180 0.866) 16.011 10.936 ( -2.462 1.899 4.223) 5.244 10.964 ( 5.292 4.075 1.979) 6.967 11.088 ( 10.373 3.145 7.208) 13.017 11.197 ( 0.612 1.646 -0.553) 1.841 11.314 ( 3.695 2.097 -2.517) 4.938 11.572 ( 2.052 6.780 4.659) 8.479 11.614 ( 3.439 4.474 2.963) 6.374 11.775 ( 4.897 -2.220 8.494) 10.053 11.972 ( 0.272 -2.796 4.044) 4.925 12.054 ( 0.748 3.763 2.189) 4.417 12.126 ( -0.720 1.441 -2.017) 2.582 12.189 ( 0.861 -0.774 -4.120) 4.280 12.218 ( 12.460 -3.007 6.076) 14.185 12.330 ( 5.033 6.149 -3.146) 8.546 12.394 ( 0.516 -2.479 -0.924) 2.695 12.468 ( 3.681 -4.677 1.970) 6.270 12.646 ( -0.628 -7.987 -2.827) 8.496 12.744 ( 0.893 -8.014 -0.383) 8.073 12.963 ( -0.340 -10.755 -8.193) 13.525 13.371 ( -0.947 2.751 1.335) 3.201 13.428 ( -1.051 -4.009 -0.322) 4.157 13.951 ( -0.144 3.571 8.235) 8.977 14.052 ( -4.237 -0.733 8.211) 9.268 14.307 ( -3.596 1.934 -4.922) 6.396 14.386 ( 1.954 2.941 -9.575) 10.205 14.438 ( -5.081 -0.968 4.428) 6.809 14.688 ( -3.630 1.271 -5.905) 7.047 ======================= Grid point 136 (45/84) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 10.308 -18.893 25.553) 33.409 2.144 ( 15.393 -20.575 22.983) 34.474 3.044 ( 6.128 -13.819 -20.105) 25.154 3.094 ( 1.443 -8.356 -25.096) 26.490 3.323 ( 18.462 -23.619 33.551) 44.993 3.635 ( -3.692 9.147 8.483) 13.010 3.997 ( -4.407 6.769 1.673) 8.248 4.072 ( -1.243 2.876 10.008) 10.487 4.151 ( 1.076 3.773 -2.675) 4.748 4.390 ( 3.010 1.917 0.260) 3.578 4.492 ( 1.883 -1.448 7.839) 8.191 4.671 ( 1.287 -4.051 6.387) 7.672 4.717 ( -2.317 2.868 -13.429) 13.926 4.812 ( -4.364 -5.216 -7.011) 9.768 5.000 ( -1.177 -1.987 -2.392) 3.325 5.066 ( -5.253 -1.618 0.884) 5.567 5.192 ( -6.305 4.400 -0.950) 7.747 5.386 ( -0.584 -1.237 -8.389) 8.499 5.440 ( -3.580 5.932 3.013) 7.555 5.544 ( 0.773 5.159 -3.802) 6.455 5.736 ( 1.379 6.824 1.287) 7.080 5.792 ( 2.748 3.350 1.317) 4.528 5.818 ( -0.571 6.029 -3.863) 7.183 5.942 ( -1.291 5.108 -2.368) 5.776 7.551 ( 13.622 -0.433 1.961) 13.769 7.693 ( 10.504 1.276 -4.399) 11.460 7.777 ( 2.559 1.843 1.315) 3.417 7.875 ( 0.412 0.386 -1.863) 1.946 8.003 ( 1.578 -1.304 3.555) 4.102 8.070 ( 4.597 -0.090 1.395) 4.805 8.186 ( 2.787 -2.087 0.476) 3.514 8.212 ( 5.983 -2.553 -0.163) 6.507 8.347 ( 11.126 2.393 0.309) 11.385 8.421 ( 7.225 1.409 -1.783) 7.574 8.681 ( 6.608 6.576 8.676) 12.735 9.154 ( 1.433 6.806 -12.610) 14.401 9.342 ( -21.152 -1.677 2.577) 21.375 9.436 ( -11.247 8.919 -3.353) 14.740 9.881 ( -21.470 -3.350 -0.143) 21.730 9.931 ( -3.814 -6.071 -0.718) 7.206 10.007 ( -26.892 -3.362 1.317) 27.133 10.120 ( -13.363 -9.378 -3.648) 16.727 10.289 ( 1.019 3.660 -1.464) 4.071 10.458 ( -0.233 -0.479 -7.839) 7.857 10.796 ( -3.914 -1.684 4.576) 6.253 10.854 ( 3.473 8.197 6.185) 10.840 10.980 ( -0.383 -2.450 -3.645) 4.408 11.140 ( 2.062 1.180 3.495) 4.226 11.182 ( 5.721 9.223 -3.448) 11.388 11.345 ( 6.677 2.360 -1.887) 7.329 11.474 ( -3.643 9.150 2.573) 10.179 11.534 ( 5.516 2.719 0.602) 6.179 11.776 ( 1.019 2.648 3.748) 4.701 11.878 ( -0.727 11.809 -2.165) 12.027 12.052 ( -1.913 -1.301 4.381) 4.954 12.161 ( 2.162 -1.759 2.556) 3.781 12.242 ( 3.390 -2.436 -0.072) 4.175 12.318 ( 2.199 -3.070 -1.309) 3.997 12.430 ( -1.964 -5.062 1.642) 5.672 12.520 ( 12.140 -5.478 6.027) 14.619 12.603 ( 7.101 -4.853 1.752) 8.777 12.846 ( 4.734 -11.796 -2.590) 12.972 12.880 ( 1.331 -6.701 1.196) 6.936 13.071 ( 0.447 -3.803 -4.187) 5.673 13.321 ( 1.762 3.147 4.083) 5.448 13.499 ( 0.142 -5.220 -3.788) 6.452 13.830 ( -8.753 2.860 8.419) 12.477 14.066 ( 4.723 1.348 4.334) 6.550 14.203 ( -6.495 3.054 -5.262) 8.899 14.350 ( 0.986 4.359 -7.250) 8.517 14.377 ( -8.378 -2.819 2.947) 9.318 14.606 ( -5.151 1.808 -6.161) 8.232 ======================= Grid point 137 (46/84) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 11.020 -20.315 19.079) 29.970 2.669 ( 17.138 -20.451 19.662) 33.145 3.188 ( -3.842 3.644 -3.477) 6.335 3.312 ( 3.786 -10.116 -10.398) 14.993 3.510 ( 1.905 -2.127 -7.905) 8.404 3.662 ( -7.179 3.932 14.189) 16.380 3.792 ( -2.636 8.789 -6.261) 11.109 4.091 ( 8.541 -8.815 12.423) 17.463 4.179 ( -0.006 -3.389 -1.686) 3.785 4.423 ( 7.985 1.800 0.301) 8.191 4.489 ( 6.831 2.872 -1.583) 7.578 4.638 ( -7.565 -2.214 2.844) 8.380 4.724 ( -5.592 -2.373 2.284) 6.490 4.827 ( -3.974 -4.820 2.466) 6.716 5.013 ( 0.370 5.514 5.305) 7.661 5.066 ( -6.541 -0.321 0.025) 6.549 5.107 ( 4.732 -0.445 -1.080) 4.874 5.228 ( -2.980 8.220 -2.268) 9.033 5.386 ( -2.889 -1.580 -1.288) 3.536 5.558 ( -1.516 -2.494 -5.789) 6.483 5.619 ( 1.204 7.155 -3.466) 8.041 5.694 ( -0.963 6.278 -3.004) 7.026 5.771 ( 1.845 4.122 -2.270) 5.055 5.854 ( -1.282 4.098 -3.410) 5.483 7.700 ( 7.559 -0.358 0.050) 7.568 7.748 ( 2.543 0.985 -1.259) 3.003 7.807 ( 4.109 0.817 -1.484) 4.444 7.863 ( 0.013 1.338 -2.740) 3.050 8.099 ( 7.111 -3.061 2.019) 8.001 8.155 ( 8.078 -0.614 -1.354) 8.213 8.267 ( 5.507 -2.329 1.376) 6.135 8.367 ( 9.845 -2.421 -0.346) 10.145 8.404 ( 6.169 3.171 -1.934) 7.200 8.442 ( 2.644 1.933 -1.465) 3.588 8.760 ( 19.410 4.819 8.246) 21.632 8.983 ( -21.549 2.822 1.772) 21.805 9.076 ( -18.489 0.634 0.622) 18.510 9.257 ( 8.914 10.956 -9.555) 17.053 9.529 ( -30.831 -2.188 2.519) 31.011 9.683 ( -27.776 -5.441 -3.526) 28.523 10.083 ( 1.643 -5.859 4.308) 7.456 10.184 ( -2.553 -3.229 4.775) 6.304 10.308 ( 1.001 -8.089 -4.805) 9.462 10.498 ( 0.176 -4.868 -8.129) 9.477 10.716 ( 2.031 9.165 7.572) 12.061 10.832 ( 0.448 1.866 3.305) 3.821 11.018 ( 0.512 1.466 -3.794) 4.099 11.055 ( 1.204 5.548 -5.227) 7.717 11.144 ( 0.252 -0.452 0.299) 0.598 11.267 ( -4.920 6.273 -2.049) 8.231 11.367 ( 1.539 2.528 -0.132) 2.962 11.558 ( 2.378 9.247 -6.716) 11.673 11.784 ( 7.096 1.037 3.678) 8.060 11.816 ( 8.090 -2.081 1.649) 8.515 12.009 ( -5.576 0.255 5.357) 7.736 12.152 ( -4.908 1.050 -1.834) 5.344 12.321 ( 4.438 -0.494 5.039) 6.733 12.373 ( 0.393 -1.085 2.292) 2.566 12.507 ( 0.066 -7.143 0.493) 7.160 12.701 ( 1.990 0.434 -5.548) 5.910 12.721 ( -1.104 -11.243 9.805) 14.958 12.979 ( 4.876 2.091 5.637) 7.741 13.065 ( 7.424 -5.653 -0.620) 9.352 13.111 ( 0.117 -2.890 -1.353) 3.193 13.350 ( 7.790 0.602 6.727) 10.310 13.593 ( 2.616 -3.647 -4.236) 6.171 13.680 ( -8.515 0.452 5.521) 10.158 14.021 ( -5.857 6.714 -6.400) 10.970 14.122 ( 2.812 1.484 0.977) 3.326 14.267 ( -3.817 3.686 -4.731) 7.109 14.365 ( -4.944 -6.727 -0.065) 8.349 14.518 ( -2.765 3.146 -5.782) 7.139 ======================= Grid point 138 (47/84) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 9.026 -17.786 13.350) 24.001 2.872 ( -9.026 17.786 13.350) 24.001 3.189 ( 14.228 -16.986 17.244) 28.077 3.189 ( -14.228 16.986 17.244) 28.077 3.566 ( 2.960 -12.133 -12.305) 17.533 3.566 ( -2.960 12.133 -12.305) 17.533 3.868 ( 8.282 -15.769 -11.853) 21.395 3.868 ( -8.282 15.769 -11.853) 21.395 4.504 ( -8.829 -0.508 2.031) 9.073 4.504 ( 8.829 0.508 2.031) 9.073 4.572 ( -12.028 3.804 1.451) 12.699 4.572 ( 12.028 -3.804 1.451) 12.699 4.746 ( 8.661 -17.677 6.795) 20.825 4.746 ( -8.661 17.677 6.795) 20.825 4.911 ( -0.865 -7.130 5.359) 8.961 4.911 ( 0.865 7.130 5.359) 8.961 5.191 ( -3.741 -0.013 5.019) 6.260 5.191 ( 3.741 0.013 5.019) 6.260 5.449 ( 1.647 -6.954 -6.499) 9.660 5.449 ( -1.647 6.954 -6.499) 9.660 5.624 ( -0.326 -3.048 -4.702) 5.613 5.624 ( 0.326 3.048 -4.702) 5.613 5.780 ( -0.011 -2.285 -4.770) 5.289 5.780 ( 0.011 2.285 -4.770) 5.289 7.750 ( -0.355 -0.851 -1.130) 1.458 7.750 ( 0.355 0.851 -1.130) 1.458 7.838 ( -0.803 -0.094 -2.233) 2.375 7.838 ( 0.803 0.094 -2.233) 2.375 8.204 ( -0.817 -1.223 -0.226) 1.488 8.204 ( 0.817 1.223 -0.226) 1.488 8.364 ( 0.364 -1.234 -0.503) 1.382 8.364 ( -0.364 1.234 -0.503) 1.382 8.496 ( -9.362 -0.516 -0.933) 9.422 8.496 ( 9.362 0.516 -0.933) 9.422 8.789 ( -8.860 -0.987 1.744) 9.083 8.789 ( 8.860 0.987 1.744) 9.083 9.068 ( -26.311 -3.621 5.341) 27.091 9.068 ( 26.311 3.621 5.341) 27.091 9.463 ( -22.953 -9.401 -6.319) 25.596 9.463 ( 22.953 9.401 -6.319) 25.596 10.159 ( -0.273 -1.245 5.132) 5.288 10.159 ( 0.273 1.245 5.132) 5.288 10.486 ( -0.567 -10.755 -1.724) 10.907 10.486 ( 0.567 10.755 -1.724) 10.907 10.712 ( 0.771 -9.037 0.726) 9.099 10.712 ( -0.771 9.037 0.726) 9.099 11.021 ( 1.958 -1.946 -1.901) 3.351 11.021 ( -1.958 1.946 -1.901) 3.351 11.172 ( 0.006 -1.621 -2.807) 3.241 11.172 ( -0.006 1.621 -2.807) 3.241 11.409 ( 0.377 -7.502 -4.224) 8.618 11.409 ( -0.377 7.502 -4.224) 8.618 11.891 ( -6.624 1.029 4.814) 8.253 11.891 ( 6.624 -1.029 4.814) 8.253 12.018 ( -2.652 -1.747 -1.565) 3.540 12.018 ( 2.652 1.747 -1.565) 3.540 12.367 ( -2.436 -0.935 5.954) 6.500 12.367 ( 2.436 0.935 5.954) 6.500 12.629 ( 1.946 -5.633 -3.354) 6.839 12.629 ( -1.946 5.633 -3.354) 6.839 12.893 ( -5.074 -11.647 8.515) 15.294 12.893 ( 5.074 11.647 8.515) 15.294 13.158 ( -10.702 -9.096 -1.709) 14.149 13.158 ( 10.702 9.096 -1.709) 14.149 13.484 ( -11.739 -0.440 7.655) 14.021 13.484 ( 11.739 0.440 7.655) 14.021 13.809 ( -3.421 -5.984 -5.863) 9.049 13.809 ( 3.421 5.984 -5.863) 9.049 14.169 ( -5.325 -1.578 -2.629) 6.145 14.169 ( 5.325 1.578 -2.629) 6.145 14.436 ( -0.657 -5.858 -3.558) 6.885 14.436 ( 0.657 5.858 -3.558) 6.885 ======================= Grid point 144 (48/84) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 17.837 -0.000 27.622) 32.880 1.754 ( 16.505 -0.000 29.057) 33.417 2.798 ( 8.011 -0.000 -17.176) 18.952 2.912 ( 22.285 -0.000 40.550) 46.270 2.955 ( 1.628 -0.000 -28.426) 28.472 3.817 ( 2.796 -0.000 9.232) 9.646 4.031 ( 1.444 -0.000 5.062) 5.264 4.187 ( -0.982 0.000 -1.195) 1.547 4.192 ( -1.553 0.000 8.305) 8.449 4.424 ( 1.911 -0.000 8.650) 8.859 4.482 ( 1.077 -0.000 2.920) 3.113 4.582 ( 1.045 -0.000 -16.384) 16.418 4.690 ( -4.897 0.000 3.531) 6.037 4.759 ( 0.672 -0.000 -13.622) 13.639 4.963 ( -8.712 0.000 3.783) 9.498 5.094 ( -3.882 0.000 -11.404) 12.046 5.218 ( -5.570 0.000 -4.766) 7.331 5.277 ( -12.454 0.000 1.827) 12.587 5.595 ( 2.245 -0.000 0.714) 2.356 5.684 ( 0.531 -0.000 -3.900) 3.936 5.826 ( 5.998 -0.000 1.091) 6.096 5.874 ( 2.088 -0.000 3.675) 4.227 5.932 ( -0.940 0.000 -3.479) 3.604 6.033 ( -2.115 0.000 -1.775) 2.761 7.545 ( 13.637 -0.000 2.945) 13.952 7.716 ( 11.056 -0.000 -4.604) 11.977 7.819 ( 0.051 -0.000 2.573) 2.574 7.857 ( 0.887 -0.000 0.562) 1.050 7.980 ( -0.778 0.000 6.641) 6.686 8.071 ( 7.856 -0.000 2.342) 8.197 8.161 ( 1.712 -0.000 0.149) 1.719 8.170 ( 4.880 -0.000 -0.442) 4.900 8.392 ( 11.454 -0.000 -1.085) 11.505 8.432 ( 8.406 -0.000 -1.048) 8.471 8.823 ( 6.218 -0.000 8.533) 10.558 9.223 ( -12.589 0.000 -6.192) 14.029 9.309 ( -17.976 0.000 4.520) 18.536 9.667 ( 3.149 -0.000 -13.519) 13.881 9.788 ( 1.986 -0.000 -6.910) 7.190 9.863 ( -3.760 0.000 -8.597) 9.383 9.935 ( -35.592 0.000 0.658) 35.598 9.973 ( -35.877 0.000 -0.405) 35.880 10.383 ( 1.855 -0.000 -0.312) 1.881 10.511 ( 1.518 -0.000 -7.830) 7.976 10.763 ( -1.501 0.000 1.568) 2.171 10.923 ( 0.438 -0.000 -3.137) 3.168 11.038 ( -0.090 0.000 5.121) 5.121 11.178 ( -3.814 0.000 1.579) 4.128 11.312 ( 16.607 -0.000 2.966) 16.870 11.398 ( 6.941 -0.000 1.191) 7.043 11.659 ( -1.487 0.000 14.298) 14.375 11.721 ( 2.105 -0.000 2.950) 3.624 11.753 ( 3.542 -0.000 3.375) 4.892 11.929 ( -1.248 0.000 1.878) 2.254 12.030 ( -6.468 0.000 -3.459) 7.335 12.102 ( 1.483 -0.000 7.432) 7.578 12.193 ( -3.670 0.000 -8.762) 9.500 12.298 ( -1.523 0.000 6.732) 6.902 12.391 ( 0.127 -0.000 0.165) 0.208 12.477 ( 14.719 -0.000 1.179) 14.766 12.504 ( 3.278 -0.000 -7.400) 8.094 12.604 ( 0.762 -0.000 -4.884) 4.943 12.786 ( 6.997 -0.000 0.025) 6.998 12.851 ( 12.152 -0.000 -2.973) 12.510 13.374 ( -1.250 0.000 1.752) 2.153 13.377 ( -2.097 0.000 0.001) 2.097 13.909 ( -11.505 0.000 12.237) 16.796 14.041 ( 5.206 -0.000 7.132) 8.830 14.272 ( -4.963 0.000 -4.764) 6.880 14.340 ( -9.306 0.000 4.480) 10.329 14.425 ( -0.263 0.000 -8.938) 8.942 14.643 ( -4.509 0.000 -7.531) 8.778 ======================= Grid point 145 (49/84) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 19.639 -7.211 23.339) 31.343 2.111 ( 21.641 -13.292 20.724) 32.779 2.961 ( 8.532 -8.376 -21.201) 24.340 3.020 ( 3.218 -4.526 -23.855) 24.493 3.336 ( 27.702 -11.684 38.226) 48.633 3.767 ( 0.635 9.726 8.847) 13.163 4.047 ( -2.672 5.610 4.843) 7.878 4.098 ( -0.438 1.381 9.101) 9.216 4.195 ( -1.148 0.665 -2.528) 2.855 4.422 ( 1.729 1.146 6.537) 6.858 4.508 ( -0.404 0.702 -3.150) 3.252 4.582 ( -2.326 -5.366 2.729) 6.454 4.683 ( -4.040 -5.193 0.252) 6.584 4.712 ( -7.987 1.275 -2.061) 8.347 4.940 ( -2.141 0.754 -6.517) 6.901 5.014 ( 1.708 -1.282 -13.337) 13.507 5.081 ( -14.805 0.796 0.328) 14.830 5.235 ( -6.057 -8.262 -5.306) 11.537 5.576 ( 2.138 7.098 -1.034) 7.485 5.650 ( 0.849 4.891 -3.556) 6.106 5.856 ( 2.050 5.001 0.887) 5.477 5.865 ( -1.625 3.288 -0.484) 3.700 5.886 ( 1.918 2.794 0.261) 3.399 5.984 ( -2.070 2.665 -1.419) 3.661 7.695 ( 8.397 -0.014 2.071) 8.649 7.787 ( 1.733 1.457 -0.214) 2.274 7.823 ( 1.351 -0.190 0.062) 1.366 7.868 ( -0.604 -0.552 0.039) 0.819 8.014 ( 4.359 -1.877 6.316) 7.901 8.170 ( 0.649 0.022 -1.513) 1.646 8.221 ( 15.086 1.241 -0.102) 15.137 8.296 ( 15.243 -2.306 -1.778) 15.519 8.489 ( 6.162 1.120 -0.250) 6.268 8.502 ( 2.463 1.639 -0.818) 3.070 8.889 ( 4.098 2.713 5.818) 7.616 9.027 ( -18.177 0.146 -0.890) 18.199 9.107 ( -7.282 1.498 9.779) 12.284 9.427 ( -40.024 -0.075 0.163) 40.025 9.492 ( -32.876 -0.976 -1.305) 32.916 9.740 ( 9.694 4.821 -14.068) 17.752 9.864 ( 4.126 -3.630 -5.340) 7.663 9.928 ( 1.138 -5.902 -6.786) 9.066 10.367 ( 0.705 3.683 -0.584) 3.795 10.486 ( 0.272 3.714 -6.709) 7.673 10.771 ( 1.864 0.631 1.311) 2.365 10.947 ( 2.346 -0.870 -4.076) 4.783 10.999 ( -0.454 3.320 3.915) 5.154 11.117 ( -5.220 -0.443 1.797) 5.539 11.412 ( 6.187 8.962 1.873) 11.050 11.468 ( 7.099 4.603 1.309) 8.561 11.594 ( 0.761 8.153 4.797) 9.491 11.663 ( 4.971 3.637 1.000) 6.240 11.784 ( -0.410 -0.939 4.923) 5.028 11.966 ( -1.145 -2.576 1.109) 3.029 12.019 ( -3.574 0.391 3.156) 4.784 12.120 ( -4.926 -0.890 -2.784) 5.728 12.165 ( 1.995 -9.097 3.436) 9.927 12.290 ( -2.361 -2.118 3.092) 4.430 12.400 ( 2.106 5.064 -3.312) 6.407 12.439 ( -2.960 -2.327 6.059) 7.133 12.563 ( -5.141 -8.396 -7.009) 12.085 12.755 ( 5.288 -7.892 -7.102) 11.862 12.974 ( 17.880 -0.179 4.108) 18.347 13.095 ( 14.129 -5.210 -0.683) 15.074 13.354 ( -0.321 -0.116 1.496) 1.534 13.404 ( 0.167 -4.979 -0.029) 4.982 13.746 ( -10.083 3.064 12.980) 16.719 14.089 ( -4.874 -1.575 4.524) 6.834 14.196 ( -1.177 3.284 -6.655) 7.514 14.236 ( -5.872 -1.723 5.162) 8.006 14.355 ( -8.941 1.682 -6.476) 11.167 14.605 ( 0.955 1.703 -9.252) 9.455 ======================= Grid point 146 (50/84) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 19.106 -11.989 17.787) 28.726 2.628 ( 22.699 -16.857 16.664) 32.819 3.160 ( 4.331 -6.217 -17.216) 18.809 3.244 ( 9.519 -10.873 -12.514) 19.116 3.576 ( -0.829 11.030 5.861) 12.518 3.729 ( -0.856 10.408 18.161) 20.949 3.877 ( 4.884 0.008 7.228) 8.723 4.082 ( 7.673 -2.351 8.059) 11.373 4.163 ( -3.618 1.569 -3.127) 5.033 4.468 ( -3.436 -3.116 -0.199) 4.642 4.494 ( -3.908 -4.232 2.158) 6.151 4.583 ( -3.376 1.453 -3.149) 4.840 4.629 ( -1.554 -1.716 -1.039) 2.538 4.682 ( -5.312 -1.987 4.652) 7.335 4.889 ( -13.557 -3.975 0.526) 14.138 4.966 ( 0.407 -8.246 8.436) 11.804 5.175 ( 9.488 -2.952 -15.420) 18.344 5.283 ( -4.850 -6.154 -1.417) 7.962 5.400 ( -3.055 14.523 -0.017) 14.841 5.576 ( 0.279 5.622 -5.976) 8.210 5.750 ( -4.557 5.273 0.075) 6.970 5.769 ( 2.508 7.667 -1.807) 8.267 5.861 ( 0.963 4.674 -1.539) 5.014 5.910 ( -0.731 4.168 -2.512) 4.921 7.735 ( -0.336 0.201 0.724) 0.823 7.771 ( -1.401 0.528 0.082) 1.499 7.831 ( -1.097 -0.295 -1.067) 1.559 7.853 ( -2.499 0.049 -1.440) 2.885 8.110 ( 3.426 -3.053 3.118) 5.548 8.186 ( 0.100 -1.484 -1.485) 2.102 8.375 ( 5.134 1.036 0.572) 5.269 8.448 ( -0.905 3.494 0.804) 3.698 8.520 ( 5.196 1.973 -1.926) 5.882 8.556 ( 14.421 1.814 -0.784) 14.556 8.756 ( -13.873 -0.939 2.470) 14.122 8.808 ( -7.166 0.281 0.984) 7.239 8.966 ( -33.954 -2.500 2.390) 34.130 9.087 ( -13.882 -3.563 -0.434) 14.339 9.330 ( 15.162 1.409 8.164) 17.277 9.807 ( 19.376 9.704 -12.110) 24.824 9.999 ( 3.148 -7.209 -1.019) 7.932 10.063 ( 1.892 -8.049 -0.425) 8.280 10.309 ( 0.483 3.356 -2.256) 4.072 10.443 ( -1.133 0.232 -7.209) 7.301 10.781 ( 0.893 0.795 5.690) 5.815 10.951 ( 2.770 4.426 0.541) 5.249 11.006 ( 3.025 -1.986 -3.966) 5.369 11.084 ( -4.011 -3.263 0.106) 5.172 11.244 ( -1.533 13.560 -0.771) 13.669 11.346 ( -1.712 11.926 -3.706) 12.606 11.459 ( 0.235 7.921 6.083) 9.990 11.737 ( 4.270 7.161 -5.847) 10.183 11.844 ( 3.912 -3.944 3.236) 6.429 11.895 ( 3.878 3.369 0.124) 5.138 11.942 ( -6.339 0.988 6.643) 9.235 12.088 ( -5.734 -1.140 -0.615) 5.878 12.312 ( -5.579 -3.771 4.066) 7.866 12.343 ( 3.092 -2.031 3.138) 4.851 12.408 ( 3.030 -10.318 1.660) 10.882 12.507 ( 0.520 -6.621 6.772) 9.485 12.641 ( -4.867 -8.973 -7.321) 12.562 12.868 ( -3.123 -5.612 -6.914) 9.436 13.136 ( 8.948 2.699 5.726) 10.961 13.313 ( 12.759 0.160 0.182) 12.761 13.393 ( 2.338 -2.800 3.045) 4.752 13.501 ( -2.600 -5.130 0.187) 5.754 13.608 ( -1.065 0.659 10.314) 10.389 13.958 ( -14.275 -0.975 3.211) 14.664 14.109 ( -5.860 2.218 -9.113) 11.059 14.189 ( -11.709 0.113 -5.593) 12.976 14.315 ( 7.787 -2.174 3.175) 8.685 14.598 ( 3.999 3.718 -8.271) 9.911 ======================= Grid point 147 (51/84) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 16.820 -12.477 12.739) 24.513 3.098 ( -1.648 18.734 9.311) 20.985 3.152 ( 18.497 -13.860 15.422) 27.786 3.324 ( -4.626 14.173 13.752) 20.283 3.456 ( 1.769 -4.068 -7.503) 8.717 3.725 ( 6.758 -10.571 -8.020) 14.891 3.732 ( 0.166 7.075 -10.841) 12.946 3.990 ( -6.176 10.674 -11.791) 17.061 4.343 ( -8.893 -1.792 -0.274) 9.076 4.363 ( -16.509 -2.065 -1.826) 16.737 4.533 ( 8.211 -14.747 10.307) 19.777 4.653 ( 0.473 -4.535 4.092) 6.126 4.678 ( 2.094 -5.864 3.269) 7.033 4.712 ( -1.263 -4.341 3.346) 5.624 4.867 ( 1.378 -5.468 4.098) 6.970 4.983 ( -5.677 17.261 6.876) 19.428 5.209 ( 0.242 1.954 5.424) 5.771 5.219 ( 1.673 -4.032 8.106) 9.207 5.390 ( 4.536 -3.426 -13.648) 14.784 5.485 ( -2.510 2.687 -8.270) 9.051 5.614 ( -3.947 3.478 -0.930) 5.343 5.697 ( 0.845 5.932 -4.679) 7.603 5.789 ( -0.391 3.874 -3.426) 5.187 5.845 ( 1.348 4.103 -4.609) 6.316 7.705 ( -5.505 -0.082 -0.399) 5.520 7.731 ( -4.256 -0.143 -1.581) 4.542 7.785 ( -6.772 -0.638 -1.227) 6.911 7.828 ( -1.514 -0.192 -2.587) 3.004 8.157 ( -3.952 -0.703 0.296) 4.025 8.193 ( -4.561 0.171 -1.067) 4.687 8.290 ( -10.186 1.051 0.749) 10.267 8.304 ( -8.142 -0.904 -0.050) 8.192 8.436 ( -4.741 2.724 0.949) 5.549 8.512 ( -11.119 3.912 -0.898) 11.821 8.634 ( -18.965 -3.328 7.315) 20.598 8.885 ( 18.508 -3.215 1.364) 18.834 8.931 ( -9.868 -6.843 -4.188) 12.718 9.084 ( 23.352 -1.506 -4.988) 23.926 9.620 ( 32.467 3.253 7.830) 33.556 9.920 ( 20.341 7.957 -6.650) 22.832 10.126 ( 1.958 -3.554 3.695) 5.488 10.166 ( 1.519 -2.354 5.857) 6.493 10.331 ( -0.159 -5.889 -2.629) 6.451 10.481 ( -0.470 -7.141 -8.085) 10.797 10.738 ( 0.360 5.925 7.449) 9.525 10.878 ( 1.350 12.466 -0.085) 12.540 11.043 ( 0.047 -0.706 -1.812) 1.946 11.089 ( 1.424 2.386 -3.028) 4.110 11.106 ( -1.899 -0.368 -1.460) 2.423 11.183 ( -0.165 3.922 -4.610) 6.055 11.365 ( 0.255 1.946 0.660) 2.070 11.555 ( -1.812 12.298 -6.182) 13.883 11.818 ( -8.214 1.872 4.990) 9.791 11.893 ( -6.951 0.399 -0.940) 7.026 11.986 ( 3.223 -1.486 3.623) 5.072 12.075 ( 6.089 -2.700 -1.168) 6.762 12.288 ( -5.413 -2.245 6.104) 8.461 12.370 ( -1.480 -1.305 6.124) 6.435 12.581 ( 1.632 -3.476 -2.691) 4.689 12.635 ( 0.351 -7.745 -0.358) 7.761 12.721 ( 2.261 -4.269 2.066) 5.254 12.888 ( -8.821 -7.169 -2.160) 11.571 13.123 ( 4.607 8.128 7.777) 12.156 13.300 ( -10.274 -0.115 4.061) 11.048 13.414 ( 4.804 5.112 2.515) 7.452 13.589 ( 4.423 -3.876 -0.082) 5.881 13.664 ( -2.165 -1.814 2.204) 3.582 13.855 ( -3.380 -3.261 -1.826) 5.040 13.982 ( -12.822 -4.789 -1.922) 13.821 14.147 ( -0.026 -2.834 -7.191) 7.729 14.450 ( 8.435 -1.773 -0.814) 8.657 14.580 ( 4.741 5.757 -5.888) 9.502 ======================= Grid point 148 (52/84) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -4.189 24.467 16.369) 29.735 2.834 ( -9.623 22.262 19.440) 31.083 3.194 ( 13.082 -7.372 6.402) 16.324 3.457 ( -0.803 11.187 -9.703) 14.830 3.533 ( 2.053 0.017 -6.861) 7.162 3.710 ( 10.217 -9.120 -3.685) 14.182 3.768 ( 4.112 5.239 -3.026) 7.315 4.036 ( -3.606 -4.744 -0.233) 5.963 4.201 ( -12.267 1.437 1.184) 12.407 4.267 ( -1.415 -11.670 -3.612) 12.297 4.458 ( -8.784 16.089 10.281) 21.017 4.694 ( -10.715 0.611 7.745) 13.236 4.752 ( -3.858 -9.810 3.425) 11.083 4.789 ( 3.880 -3.364 5.920) 7.837 4.922 ( 10.137 -5.681 -1.275) 11.691 5.059 ( 7.830 -6.165 1.691) 10.108 5.123 ( -1.026 2.396 5.375) 5.974 5.244 ( -0.949 5.091 -3.850) 6.453 5.450 ( 1.841 -0.498 -1.147) 2.225 5.526 ( 3.135 -5.534 -6.222) 8.897 5.593 ( -1.963 -3.996 -4.595) 6.398 5.620 ( -0.523 2.322 -3.605) 4.320 5.722 ( -1.732 1.717 -3.719) 4.447 5.840 ( 2.038 0.154 -4.071) 4.555 7.576 ( -12.488 1.187 0.254) 12.547 7.651 ( -11.047 -1.211 -3.955) 11.796 7.733 ( -3.032 -0.981 -0.179) 3.191 7.821 ( -1.796 -1.851 -3.685) 4.498 8.049 ( -9.982 0.411 1.565) 10.112 8.072 ( -5.051 0.355 0.251) 5.069 8.255 ( -3.809 -0.689 0.378) 3.889 8.269 ( -4.807 -1.416 0.022) 5.012 8.316 ( -6.256 3.189 0.787) 7.066 8.368 ( -5.246 0.828 -1.127) 5.429 8.534 ( -5.335 -2.651 5.147) 7.873 8.853 ( -12.141 -9.118 -9.764) 18.052 9.277 ( 27.394 -2.643 2.405) 27.626 9.402 ( 24.311 0.997 -2.761) 24.487 9.975 ( 23.652 0.169 2.875) 23.826 10.032 ( 14.638 4.392 0.021) 15.283 10.172 ( 6.030 3.107 6.714) 9.544 10.216 ( 4.711 -0.446 2.867) 5.533 10.432 ( -3.732 -9.051 0.029) 9.791 10.509 ( 3.111 10.645 -2.241) 11.315 10.682 ( -0.764 7.213 -0.580) 7.277 10.743 ( 1.753 -7.816 0.010) 8.010 11.011 ( -0.724 4.557 -0.289) 4.624 11.063 ( -5.640 -0.375 -3.445) 6.620 11.108 ( 3.890 -1.282 0.302) 4.107 11.225 ( 3.136 -3.707 -3.028) 5.722 11.375 ( -1.423 6.907 -3.918) 8.068 11.440 ( 2.585 -5.788 -5.114) 8.145 11.694 ( -7.595 1.211 3.225) 8.340 11.731 ( -9.321 1.300 0.649) 9.433 12.059 ( 3.262 -1.012 4.914) 5.984 12.180 ( 1.382 -1.016 -0.102) 1.719 12.236 ( -5.925 -1.467 4.164) 7.389 12.361 ( -2.180 -0.504 3.503) 4.156 12.571 ( -8.598 -0.200 -2.987) 9.105 12.644 ( -0.399 5.869 -4.388) 7.339 12.780 ( -2.878 0.826 9.261) 9.733 12.880 ( -4.580 -6.607 2.966) 8.569 13.051 ( 1.549 6.698 6.066) 9.169 13.237 ( -1.316 -1.769 4.222) 4.764 13.350 ( 2.906 8.850 -0.420) 9.324 13.533 ( -6.985 0.023 -5.787) 9.071 13.731 ( 0.470 -3.915 2.784) 4.826 13.915 ( -1.574 -7.569 -0.605) 7.755 14.023 ( -1.652 -9.377 -1.198) 9.597 14.225 ( 3.191 -3.314 -6.030) 7.585 14.541 ( 4.792 6.574 -2.385) 8.477 14.567 ( 7.019 -0.846 -3.366) 7.830 ======================= Grid point 149 (53/84) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -2.633 24.972 21.774) 33.236 2.354 ( -7.624 24.632 22.770) 34.399 3.226 ( -2.175 15.804 -18.636) 24.531 3.231 ( -0.239 10.594 -21.749) 24.193 3.562 ( -1.019 13.474 18.881) 23.218 3.596 ( 1.452 6.910 9.871) 12.136 3.929 ( 0.217 -5.723 -2.718) 6.340 3.981 ( -5.970 -4.786 -0.650) 7.679 4.162 ( 11.131 -4.027 15.481) 19.488 4.287 ( -4.368 -2.606 -2.329) 5.594 4.455 ( -5.947 -1.988 12.291) 13.798 4.639 ( 1.182 -6.929 -1.459) 7.179 4.769 ( 1.857 5.059 1.658) 5.639 4.885 ( -6.530 -10.170 -5.081) 13.110 4.969 ( 3.676 4.817 -6.616) 8.972 5.135 ( 1.941 0.272 3.780) 4.258 5.156 ( 1.646 -1.799 -4.069) 4.744 5.305 ( 2.008 -9.424 -3.691) 10.319 5.454 ( 2.115 0.795 0.979) 2.462 5.550 ( 0.003 1.942 -4.216) 4.642 5.643 ( 0.208 -3.064 -2.074) 3.706 5.704 ( 0.173 -8.294 -3.859) 9.150 5.724 ( -1.131 -3.454 0.193) 3.640 5.879 ( 0.580 -3.525 -2.517) 4.370 7.414 ( -9.065 1.029 1.395) 9.229 7.538 ( -8.802 -1.382 -4.658) 10.054 7.726 ( -1.308 -1.593 0.589) 2.143 7.841 ( -0.875 -2.582 -3.758) 4.642 7.973 ( -4.790 -2.172 2.925) 6.018 8.041 ( -0.664 -0.428 0.286) 0.840 8.190 ( -4.977 2.447 2.531) 6.097 8.196 ( -4.285 1.064 0.475) 4.440 8.208 ( -2.428 3.435 0.716) 4.267 8.331 ( -2.882 -1.173 -2.590) 4.049 8.561 ( -0.566 -4.613 4.746) 6.643 8.912 ( -4.644 -11.570 -12.633) 17.749 9.606 ( 18.611 -0.992 -0.005) 18.638 9.614 ( 14.551 3.475 -0.202) 14.961 10.033 ( 1.967 2.100 4.396) 5.254 10.117 ( 2.650 7.175 3.437) 8.386 10.204 ( 2.198 2.666 -1.228) 3.666 10.308 ( 2.676 0.694 0.025) 2.764 10.451 ( 18.296 4.160 -4.071) 19.199 10.506 ( 3.945 -0.275 -1.675) 4.295 10.681 ( 1.632 -6.064 5.164) 8.130 10.896 ( 3.746 -4.125 0.930) 5.649 10.936 ( -10.016 -1.763 -1.849) 10.336 11.046 ( 3.106 -2.100 -3.145) 4.893 11.133 ( 0.573 0.546 -0.523) 0.948 11.242 ( -3.354 2.264 -3.197) 5.158 11.402 ( 6.512 -6.516 2.622) 9.578 11.488 ( -0.229 0.995 0.651) 1.211 11.668 ( -6.900 -4.618 1.245) 8.395 11.719 ( 0.802 -10.029 -2.908) 10.473 12.062 ( -6.846 0.707 5.604) 8.875 12.110 ( -2.725 0.657 4.955) 5.693 12.225 ( -2.235 0.813 -2.584) 3.512 12.315 ( -7.187 1.715 -2.665) 7.854 12.368 ( -8.565 3.942 5.409) 10.870 12.559 ( 2.423 7.439 -2.417) 8.189 12.688 ( -2.074 6.489 8.616) 10.984 12.883 ( -3.651 2.328 0.202) 4.335 12.993 ( 2.583 2.379 2.805) 4.494 13.222 ( 1.492 10.837 -1.529) 11.046 13.258 ( 0.832 -0.850 2.547) 2.811 13.520 ( -0.321 -2.162 -6.650) 7.000 13.793 ( -2.832 -7.062 5.092) 9.155 14.019 ( 2.992 -3.146 6.103) 7.490 14.158 ( -0.935 -9.822 -7.845) 12.605 14.294 ( 1.891 -1.073 -5.468) 5.884 14.509 ( 3.851 4.209 1.242) 5.838 14.648 ( 3.994 -0.757 -4.638) 6.167 ======================= Grid point 150 (54/84) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 21.073 27.892) 34.958 1.918 ( 0.000 23.976 26.355) 35.629 2.957 ( 0.000 16.257 -13.436) 21.090 3.076 ( 0.000 8.519 -28.009) 29.276 3.079 ( 0.000 26.399 29.760) 39.781 3.712 ( -0.000 -3.972 8.620) 9.491 3.947 ( -0.000 -3.764 3.667) 5.255 4.086 ( -0.000 -6.508 -6.789) 9.404 4.277 ( 0.000 2.496 5.633) 6.161 4.360 ( -0.000 -5.854 1.910) 6.157 4.382 ( -0.000 -2.329 18.718) 18.863 4.642 ( 0.000 6.616 -4.483) 7.992 4.720 ( 0.000 0.928 -14.134) 14.165 4.911 ( 0.000 4.793 -4.530) 6.595 5.052 ( -0.000 -10.448 3.134) 10.908 5.151 ( 0.000 0.070 -1.627) 1.629 5.177 ( -0.000 -1.188 -7.601) 7.693 5.460 ( -0.000 -8.386 -4.249) 9.401 5.463 ( 0.000 0.280 3.218) 3.230 5.590 ( -0.000 -4.704 1.441) 4.920 5.650 ( -0.000 -0.864 -2.958) 3.081 5.767 ( -0.000 -3.223 5.011) 5.958 5.824 ( -0.000 -6.404 -6.439) 9.082 5.961 ( -0.000 -5.630 -2.417) 6.127 7.345 ( 0.000 0.423 2.237) 2.277 7.502 ( -0.000 -1.223 -5.064) 5.209 7.750 ( -0.000 -2.403 1.788) 2.995 7.865 ( -0.000 -0.849 -2.188) 2.347 7.982 ( -0.000 -2.127 3.146) 3.798 8.059 ( -0.000 -0.778 -0.429) 0.888 8.104 ( 0.000 2.466 6.669) 7.110 8.140 ( 0.000 2.256 0.895) 2.427 8.155 ( 0.000 1.186 -0.052) 1.187 8.324 ( -0.000 -0.415 -2.664) 2.696 8.642 ( -0.000 -5.996 6.110) 8.561 9.074 ( -0.000 -12.419 -15.156) 19.594 9.629 ( 0.000 5.132 1.716) 5.411 9.725 ( 0.000 0.348 -2.480) 2.504 9.963 ( 0.000 8.496 0.744) 8.528 10.070 ( 0.000 7.732 -3.388) 8.442 10.150 ( -0.000 -6.131 3.012) 6.831 10.359 ( -0.000 -3.991 -6.193) 7.367 10.476 ( 0.000 5.632 -0.641) 5.668 10.627 ( -0.000 -1.015 -4.611) 4.722 10.804 ( -0.000 -4.943 5.111) 7.111 10.864 ( -0.000 -6.504 4.980) 8.191 10.999 ( -0.000 -2.669 -2.102) 3.398 11.066 ( 0.000 2.226 4.940) 5.418 11.192 ( 0.000 1.447 0.649) 1.586 11.216 ( -0.000 -7.433 -7.677) 10.686 11.489 ( -0.000 -1.574 4.066) 4.360 11.533 ( -0.000 -2.642 2.197) 3.436 11.681 ( -0.000 -6.901 5.681) 8.939 11.927 ( -0.000 -13.436 -5.550) 14.537 11.981 ( 0.000 0.614 5.670) 5.704 12.102 ( -0.000 -0.361 3.032) 3.054 12.121 ( 0.000 4.115 2.423) 4.775 12.240 ( 0.000 0.603 -1.950) 2.041 12.286 ( 0.000 4.198 0.659) 4.250 12.462 ( 0.000 6.350 -2.310) 6.757 12.555 ( 0.000 8.031 6.785) 10.514 12.774 ( 0.000 8.249 3.307) 8.887 12.931 ( 0.000 10.430 -5.005) 11.568 13.084 ( 0.000 6.640 -4.568) 8.059 13.312 ( -0.000 -4.864 3.079) 5.757 13.509 ( 0.000 4.076 -4.987) 6.440 13.878 ( -0.000 -5.628 7.522) 9.395 14.072 ( -0.000 -1.330 7.329) 7.449 14.289 ( -0.000 -7.194 -9.809) 12.164 14.313 ( -0.000 -0.764 -4.582) 4.645 14.492 ( 0.000 1.887 3.002) 3.546 14.689 ( -0.000 -1.379 -5.231) 5.410 ======================= Grid point 153 (55/84) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 24.759 -0.000 17.070) 30.073 2.276 ( 24.610 -0.000 16.848) 29.824 3.010 ( 10.235 -0.000 -18.885) 21.480 3.042 ( 5.950 -0.000 -19.556) 20.441 3.612 ( 28.741 -0.000 33.904) 44.447 3.900 ( 4.057 -0.000 7.483) 8.512 4.058 ( 0.284 -0.000 6.488) 6.494 4.130 ( -3.567 0.000 1.940) 4.061 4.147 ( -1.630 0.000 5.952) 6.171 4.423 ( -10.490 0.000 -1.178) 10.556 4.504 ( -1.806 0.000 10.209) 10.367 4.516 ( 0.529 -0.000 7.109) 7.129 4.568 ( -1.702 0.000 -6.028) 6.264 4.570 ( -10.291 0.000 2.602) 10.615 4.854 ( -18.463 0.000 -1.071) 18.494 4.996 ( -6.378 0.000 -4.677) 7.909 5.008 ( -4.822 0.000 -9.308) 10.483 5.114 ( 11.087 -0.000 -19.253) 22.217 5.659 ( 0.984 -0.000 -1.979) 2.210 5.692 ( -0.058 0.000 -2.706) 2.706 5.835 ( -6.506 0.000 1.751) 6.737 5.925 ( 1.660 -0.000 -1.303) 2.110 5.937 ( 1.965 -0.000 0.086) 1.967 5.977 ( -1.650 0.000 -0.453) 1.711 7.747 ( 0.660 -0.000 1.920) 2.030 7.796 ( -2.397 0.000 1.835) 3.019 7.803 ( -2.805 0.000 -1.116) 3.018 7.851 ( -1.777 0.000 1.003) 2.040 8.059 ( 4.222 -0.000 5.228) 6.720 8.159 ( -0.962 0.000 -0.740) 1.214 8.399 ( 6.527 -0.000 0.363) 6.537 8.528 ( -0.684 0.000 -1.467) 1.619 8.547 ( 20.566 -0.000 -1.403) 20.614 8.582 ( 13.226 -0.000 1.068) 13.269 8.742 ( -16.156 0.000 2.639) 16.371 8.811 ( -17.215 0.000 1.738) 17.302 8.931 ( -35.771 0.000 -0.222) 35.772 9.002 ( -27.058 0.000 -1.097) 27.081 9.374 ( 23.807 -0.000 12.487) 26.883 9.809 ( 3.216 -0.000 -4.484) 5.518 9.922 ( 4.534 -0.000 -8.354) 9.505 10.001 ( 11.195 -0.000 -12.831) 17.029 10.402 ( 0.406 -0.000 1.348) 1.408 10.537 ( 1.015 -0.000 -6.632) 6.709 10.810 ( 0.478 -0.000 -0.440) 0.650 10.963 ( -1.145 0.000 -5.339) 5.460 10.995 ( 0.332 -0.000 2.653) 2.674 11.037 ( -4.732 0.000 0.708) 4.785 11.570 ( 5.164 -0.000 5.616) 7.629 11.673 ( 4.366 -0.000 5.322) 6.884 11.678 ( 11.014 -0.000 0.418) 11.022 11.747 ( 0.801 -0.000 3.286) 3.382 11.765 ( -0.152 0.000 0.426) 0.452 11.889 ( -1.932 0.000 -0.087) 1.934 11.907 ( -4.934 0.000 0.386) 4.949 12.036 ( -7.269 0.000 -7.086) 10.151 12.083 ( -2.525 0.000 9.965) 10.280 12.295 ( 2.365 -0.000 7.009) 7.397 12.365 ( -2.892 0.000 2.795) 4.023 12.448 ( -3.430 0.000 -6.159) 7.050 12.531 ( -1.192 0.000 -2.792) 3.036 12.652 ( 2.171 -0.000 -10.124) 10.354 13.149 ( 3.750 -0.000 2.911) 4.747 13.208 ( 8.972 -0.000 -0.567) 8.990 13.371 ( 7.708 -0.000 2.350) 8.058 13.418 ( 8.453 -0.000 2.376) 8.780 13.676 ( -5.560 0.000 13.155) 14.282 13.917 ( -18.189 0.000 5.582) 19.026 14.162 ( -3.383 0.000 -5.802) 6.716 14.205 ( -16.088 0.000 -6.532) 17.364 14.278 ( 7.541 -0.000 2.394) 7.912 14.654 ( 3.901 -0.000 -10.026) 10.758 ======================= Grid point 154 (56/84) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 24.498 -2.415 13.136) 27.902 2.707 ( 25.557 -11.578 12.307) 30.638 3.156 ( 8.174 -3.503 -14.955) 17.400 3.219 ( 11.871 -8.489 -12.836) 19.436 3.782 ( 0.548 12.423 8.071) 14.825 3.918 ( 4.804 6.754 15.421) 17.507 3.936 ( -3.122 8.889 7.089) 11.790 4.150 ( 4.019 -1.457 5.462) 6.936 4.156 ( 5.225 -2.265 4.903) 7.515 4.281 ( -13.560 -1.422 0.185) 13.635 4.395 ( -11.893 -3.651 6.634) 14.099 4.450 ( -2.886 -0.301 1.719) 3.373 4.606 ( -6.660 -1.969 -0.864) 6.998 4.635 ( -6.491 -3.668 -0.950) 7.516 4.693 ( 1.861 -4.669 1.168) 5.160 4.840 ( -2.554 -2.892 1.445) 4.120 5.078 ( -6.446 -9.377 -2.184) 11.586 5.293 ( 13.515 -1.313 -19.751) 23.969 5.562 ( -3.110 10.549 0.366) 11.004 5.654 ( -2.435 3.895 -1.496) 4.831 5.730 ( -6.775 1.907 1.822) 7.271 5.887 ( -0.252 4.725 -2.828) 5.512 5.936 ( 1.051 3.434 -1.505) 3.894 5.953 ( 0.163 1.778 -2.208) 2.840 7.723 ( -3.885 1.080 0.725) 4.097 7.732 ( -5.383 0.258 -0.290) 5.397 7.764 ( -5.497 -0.608 0.849) 5.595 7.830 ( -1.832 -0.313 0.176) 1.867 8.093 ( -2.195 -1.643 2.424) 3.660 8.148 ( -3.544 -1.451 -0.713) 3.895 8.340 ( -12.627 1.550 2.100) 12.894 8.398 ( -17.917 3.706 -0.983) 18.323 8.499 ( -6.838 1.299 3.062) 7.604 8.546 ( -15.269 -2.226 5.735) 16.461 8.601 ( -12.110 1.814 0.487) 12.254 8.716 ( -13.577 -4.886 -1.635) 14.522 8.873 ( 27.420 0.274 1.179) 27.447 9.036 ( 26.700 -1.321 -6.300) 27.465 9.685 ( 25.349 0.726 9.139) 26.956 9.891 ( 3.004 -5.458 -2.738) 6.805 10.017 ( 5.924 -3.273 -5.386) 8.650 10.099 ( 6.839 0.822 -7.429) 10.131 10.377 ( 0.382 3.839 1.978) 4.336 10.495 ( 1.032 5.540 -5.422) 7.820 10.793 ( -3.799 -1.650 1.473) 4.396 10.917 ( -5.567 -2.244 -0.943) 6.076 11.000 ( 1.556 0.903 -1.958) 2.659 11.066 ( 4.947 -1.429 -3.036) 5.978 11.467 ( 0.877 15.072 2.722) 15.341 11.561 ( 0.056 14.300 -1.953) 14.433 11.599 ( 1.566 8.629 7.191) 11.341 11.818 ( 1.600 -1.992 0.026) 2.555 11.856 ( 2.364 1.353 -2.687) 3.826 11.878 ( -4.632 0.126 4.005) 6.125 11.959 ( 0.988 -3.525 1.362) 3.906 11.961 ( -5.195 -2.828 -1.942) 6.226 12.141 ( 0.546 -8.580 2.857) 9.059 12.317 ( -5.835 -1.267 5.257) 7.955 12.331 ( 2.273 -3.536 4.594) 6.227 12.462 ( -0.004 -5.620 -5.759) 8.047 12.519 ( 6.121 -0.079 0.311) 6.129 12.765 ( -0.281 -6.470 -8.683) 10.832 13.179 ( -1.655 -2.880 1.253) 3.550 13.238 ( -5.471 -4.188 -0.912) 6.950 13.460 ( 1.095 3.241 6.942) 7.739 13.542 ( 9.329 0.027 3.024) 9.807 13.649 ( 0.226 0.589 8.467) 8.491 13.710 ( -11.355 -3.754 6.165) 13.455 13.975 ( -18.539 1.289 -6.377) 19.647 14.130 ( -0.669 0.648 -7.692) 7.748 14.389 ( 8.024 -1.621 1.126) 8.263 14.692 ( 4.051 1.630 -9.154) 10.142 ======================= Grid point 155 (57/84) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 22.407 -5.804 9.465) 25.006 3.208 ( 22.457 -12.113 11.364) 27.932 3.314 ( 7.727 0.370 -6.816) 10.310 3.458 ( 6.949 5.541 3.040) 9.393 3.581 ( -5.688 17.817 12.434) 22.459 3.643 ( 7.581 -3.927 -2.888) 9.013 3.837 ( -6.320 5.349 -0.569) 8.299 4.036 ( -6.403 6.122 -7.691) 11.731 4.118 ( -15.206 -0.961 -3.273) 15.584 4.291 ( -7.668 6.420 -6.966) 12.187 4.304 ( -10.071 -10.980 5.166) 15.769 4.389 ( -15.908 -7.862 2.384) 17.904 4.653 ( 12.684 -7.130 12.257) 19.025 4.750 ( 8.290 -4.563 3.266) 10.011 4.820 ( 6.728 -7.625 2.916) 10.579 5.034 ( 2.925 -12.407 5.052) 13.712 5.113 ( -6.562 -5.261 3.859) 9.254 5.286 ( -5.279 16.223 4.700) 17.696 5.456 ( 8.842 0.054 -14.539) 17.016 5.529 ( -4.931 3.549 -0.167) 6.078 5.604 ( -4.333 5.851 -3.197) 7.951 5.790 ( -2.075 5.756 -5.035) 7.924 5.866 ( -0.239 5.613 -1.988) 5.959 5.925 ( 1.943 3.508 -4.474) 6.008 7.614 ( -9.707 0.943 -0.453) 9.764 7.643 ( -9.541 0.935 -1.665) 9.730 7.710 ( -2.875 -0.052 1.164) 3.103 7.806 ( -2.324 0.193 -1.814) 2.955 7.993 ( -16.302 -2.671 2.153) 16.659 8.055 ( -14.218 -2.343 -0.716) 14.428 8.232 ( -0.600 -0.366 1.549) 1.701 8.243 ( -0.394 1.486 0.026) 1.538 8.393 ( -5.447 1.245 2.276) 6.033 8.453 ( -6.270 2.792 0.397) 6.875 8.490 ( -3.680 -0.854 3.566) 5.195 8.643 ( -9.563 -4.755 -2.647) 11.003 9.232 ( 29.419 -0.251 1.541) 29.461 9.407 ( 28.093 -0.618 -5.898) 28.712 9.942 ( 11.456 -2.398 2.271) 11.922 10.048 ( 7.529 -7.002 0.806) 10.313 10.129 ( 2.551 -2.451 0.397) 3.560 10.163 ( 2.621 -1.500 -4.211) 5.181 10.320 ( 1.167 2.656 4.130) 5.047 10.469 ( 6.501 1.516 -5.634) 8.735 10.760 ( -5.613 -1.188 4.284) 7.160 10.907 ( -5.539 -3.892 -2.294) 7.147 11.036 ( 4.990 -0.350 -1.638) 5.263 11.151 ( 3.805 2.823 -2.629) 5.418 11.233 ( 3.890 13.205 0.497) 13.775 11.336 ( -0.923 12.545 -1.763) 12.702 11.471 ( 2.007 9.277 3.439) 10.096 11.710 ( -4.698 9.185 -0.988) 10.364 11.767 ( -4.926 5.740 -0.685) 7.594 11.797 ( -8.486 0.565 -1.891) 8.713 11.983 ( 1.791 -2.971 4.171) 5.425 12.082 ( 5.109 -4.852 0.028) 7.046 12.207 ( -2.239 -1.208 3.916) 4.670 12.296 ( -4.306 -3.620 6.033) 8.249 12.473 ( -0.907 -6.851 1.452) 7.062 12.606 ( 8.991 -5.703 -3.745) 11.287 12.650 ( 3.739 -7.167 4.018) 9.027 12.806 ( -0.843 0.119 -6.712) 6.766 13.136 ( -7.846 -0.669 2.122) 8.156 13.221 ( -6.059 -0.565 -0.174) 6.088 13.420 ( -2.266 -1.436 4.934) 5.616 13.526 ( -11.872 -9.908 0.135) 15.464 13.653 ( 4.503 3.337 4.541) 7.213 13.726 ( -14.032 0.865 -1.927) 14.190 13.818 ( 4.956 -3.336 4.229) 7.319 14.145 ( 2.711 -1.298 -7.623) 8.195 14.515 ( 6.644 -2.464 -1.064) 7.166 14.701 ( 3.432 3.241 -7.384) 8.764 ======================= Grid point 156 (58/84) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 0.816 22.811 13.380) 26.458 3.106 ( -2.122 22.295 14.701) 26.790 3.300 ( 15.270 -2.174 6.854) 16.878 3.536 ( 3.595 -1.722 -5.433) 6.738 3.623 ( 4.293 4.541 -2.422) 6.702 3.762 ( 12.317 -4.070 -3.661) 13.479 3.854 ( -11.958 -0.438 1.065) 12.013 3.882 ( 1.103 -2.646 -2.950) 4.114 4.060 ( -2.430 -9.768 -3.539) 10.670 4.093 ( -2.401 0.945 -7.591) 8.018 4.315 ( -16.004 -9.686 4.311) 19.198 4.392 ( -10.251 -16.088 0.503) 19.083 4.842 ( -1.951 18.102 8.641) 20.154 4.881 ( 5.704 3.054 8.087) 10.357 4.952 ( 10.148 -5.054 4.359) 12.147 5.030 ( 3.660 -6.805 6.843) 10.321 5.104 ( -3.961 -3.140 8.063) 9.516 5.301 ( 2.358 -7.173 -0.598) 7.574 5.383 ( -3.401 2.250 -7.643) 8.663 5.483 ( -4.153 -0.411 -0.908) 4.271 5.570 ( 5.134 0.559 -11.127) 12.267 5.671 ( -2.557 5.324 -4.781) 7.598 5.770 ( -0.790 5.488 -2.552) 6.104 5.895 ( 1.577 3.241 -4.700) 5.923 7.469 ( -8.206 2.338 -0.160) 8.534 7.511 ( -8.186 0.168 -2.635) 8.601 7.691 ( -1.511 -0.864 -0.121) 1.745 7.777 ( -2.383 -0.953 -2.133) 3.337 7.884 ( -7.809 -2.996 2.213) 8.652 7.974 ( -6.397 -3.605 -1.405) 7.476 8.229 ( 0.709 1.555 0.488) 1.777 8.258 ( 1.722 -0.514 -0.370) 1.835 8.316 ( -2.428 2.940 1.043) 3.953 8.343 ( -4.273 2.841 0.659) 5.174 8.473 ( -1.388 -1.297 2.355) 3.025 8.639 ( -4.256 -6.097 -5.108) 9.020 9.583 ( 25.070 -0.492 0.921) 25.092 9.698 ( 18.586 2.131 -4.083) 19.148 10.017 ( -2.641 -0.935 1.279) 3.080 10.148 ( -5.391 -3.927 3.476) 7.521 10.181 ( -1.921 -4.754 -3.388) 6.145 10.277 ( 6.281 -7.188 3.028) 10.015 10.393 ( 11.324 -0.600 5.948) 12.805 10.605 ( 8.273 -2.463 -4.494) 9.731 10.689 ( -5.208 -1.211 3.781) 6.549 10.850 ( -2.274 6.463 -3.477) 7.683 10.939 ( -5.691 8.786 1.014) 10.517 11.102 ( 2.845 4.211 -4.647) 6.887 11.163 ( 1.656 3.868 2.832) 5.072 11.331 ( 10.510 0.926 -2.174) 10.773 11.430 ( 4.458 -0.916 -1.903) 4.933 11.515 ( -0.427 10.969 -3.714) 11.589 11.624 ( -7.666 2.356 1.404) 8.142 11.650 ( -7.926 3.260 -0.492) 8.585 12.038 ( -1.403 -1.846 5.774) 6.222 12.148 ( -2.444 1.086 5.572) 6.181 12.207 ( 2.526 -2.051 -1.569) 3.613 12.304 ( -2.856 -2.504 2.614) 4.610 12.453 ( -7.775 1.077 3.869) 8.750 12.721 ( -2.224 -3.181 4.294) 5.788 12.766 ( 5.406 3.315 -7.223) 9.612 12.807 ( 2.667 -2.033 2.477) 4.169 13.060 ( -6.107 1.892 0.816) 6.445 13.219 ( 1.974 -7.598 -2.383) 8.204 13.397 ( -0.875 1.099 5.059) 5.251 13.538 ( -11.694 -5.562 -0.162) 12.951 13.598 ( 1.546 7.602 2.644) 8.196 13.709 ( -3.623 -15.921 -5.673) 17.285 13.930 ( 3.233 -3.565 6.107) 7.775 14.222 ( 2.876 -3.177 -6.227) 7.560 14.616 ( 3.845 -1.853 -2.810) 5.110 14.674 ( 2.241 4.763 -4.764) 7.100 ======================= Grid point 157 (59/84) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 26.874 16.250) 31.405 2.695 ( 0.000 25.232 20.807) 32.705 3.392 ( 0.000 9.056 -14.847) 17.391 3.459 ( 0.000 14.253 -14.674) 20.457 3.575 ( -0.000 -3.369 3.795) 5.075 3.779 ( -0.000 -1.901 5.844) 6.145 3.871 ( -0.000 -5.185 -8.962) 10.354 3.910 ( 0.000 10.743 0.321) 10.748 4.145 ( -0.000 -6.687 7.489) 10.040 4.197 ( -0.000 -11.359 16.177) 19.766 4.470 ( 0.000 16.171 10.727) 19.406 4.523 ( -0.000 -11.389 -3.339) 11.868 4.530 ( -0.000 -20.303 -1.029) 20.330 4.887 ( 0.000 5.438 7.464) 9.235 5.090 ( -0.000 -4.294 7.474) 8.620 5.095 ( 0.000 0.488 -4.680) 4.705 5.188 ( -0.000 -6.971 3.647) 7.867 5.189 ( 0.000 6.642 -10.403) 12.343 5.488 ( 0.000 0.051 -2.012) 2.012 5.543 ( -0.000 -11.733 -4.060) 12.416 5.575 ( 0.000 2.420 -9.048) 9.366 5.613 ( -0.000 -1.845 0.468) 1.904 5.702 ( 0.000 2.082 -1.708) 2.693 5.868 ( 0.000 1.187 -3.525) 3.719 7.380 ( 0.000 1.982 0.612) 2.074 7.463 ( -0.000 -0.890 -3.702) 3.808 7.697 ( -0.000 -1.106 -0.304) 1.147 7.791 ( -0.000 -2.603 -3.201) 4.126 7.886 ( -0.000 -3.483 2.599) 4.345 7.992 ( -0.000 -3.428 -1.661) 3.809 8.198 ( 0.000 3.047 2.298) 3.816 8.237 ( 0.000 3.943 0.861) 4.036 8.253 ( 0.000 3.905 0.152) 3.907 8.297 ( -0.000 -1.205 -2.257) 2.558 8.500 ( -0.000 -3.021 2.820) 4.133 8.728 ( -0.000 -8.768 -8.494) 12.208 9.763 ( 0.000 3.280 -1.635) 3.665 9.769 ( 0.000 2.600 -2.501) 3.608 9.998 ( -0.000 -4.277 4.358) 6.106 10.176 ( 0.000 0.108 9.625) 9.626 10.229 ( -0.000 -4.079 -5.135) 6.558 10.370 ( 0.000 2.840 4.766) 5.548 10.476 ( 0.000 0.879 3.881) 3.979 10.643 ( -0.000 -5.793 3.051) 6.547 10.685 ( 0.000 8.154 -4.037) 9.098 10.802 ( 0.000 0.342 -3.200) 3.219 10.845 ( -0.000 -6.709 -2.997) 7.347 11.022 ( 0.000 1.370 -11.803) 11.882 11.153 ( 0.000 2.509 8.516) 8.878 11.362 ( 0.000 8.911 -1.883) 9.108 11.474 ( -0.000 -3.165 -0.935) 3.300 11.496 ( 0.000 0.635 2.854) 2.923 11.532 ( 0.000 3.561 0.945) 3.685 11.571 ( -0.000 -8.769 -4.636) 9.919 12.006 ( 0.000 0.882 6.646) 6.704 12.121 ( 0.000 1.045 4.762) 4.875 12.219 ( 0.000 1.755 -2.850) 3.347 12.289 ( 0.000 0.714 -2.451) 2.553 12.372 ( 0.000 1.678 8.189) 8.359 12.704 ( 0.000 8.047 -5.368) 9.673 12.742 ( 0.000 1.497 6.098) 6.279 12.832 ( -0.000 -2.903 -0.781) 3.006 13.016 ( -0.000 -0.572 5.513) 5.542 13.306 ( 0.000 5.939 3.559) 6.924 13.372 ( -0.000 -0.722 -5.497) 5.544 13.482 ( 0.000 3.985 -1.959) 4.441 13.611 ( -0.000 -11.550 5.385) 12.744 13.943 ( -0.000 -15.201 -8.220) 17.281 14.001 ( -0.000 -3.175 6.920) 7.614 14.287 ( -0.000 -2.435 -5.845) 6.332 14.606 ( 0.000 5.335 -1.437) 5.525 14.664 ( -0.000 -0.763 -3.931) 4.004 ======================= Grid point 162 (60/84) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 24.799 -0.000 9.165) 26.438 2.920 ( 26.449 -0.000 8.149) 27.676 3.261 ( 11.581 -0.000 -8.342) 14.272 3.294 ( 12.483 -0.000 -10.459) 16.286 3.830 ( -5.096 0.000 4.558) 6.837 3.947 ( -13.025 0.000 0.987) 13.063 4.013 ( -7.992 0.000 7.113) 10.699 4.132 ( 2.659 -0.000 1.905) 3.271 4.145 ( -8.212 0.000 7.446) 11.085 4.196 ( -3.993 0.000 5.295) 6.632 4.231 ( -7.428 0.000 1.377) 7.555 4.353 ( -14.329 0.000 3.103) 14.661 4.550 ( 15.103 -0.000 15.746) 21.819 4.618 ( 3.467 -0.000 -1.045) 3.621 4.653 ( 4.175 -0.000 0.508) 4.206 4.858 ( -4.522 0.000 -1.102) 4.654 4.865 ( -4.426 0.000 -6.043) 7.490 5.452 ( 12.685 -0.000 -16.770) 21.027 5.573 ( -13.090 0.000 7.760) 15.217 5.622 ( -2.638 0.000 -0.098) 2.640 5.698 ( -0.785 0.000 -1.085) 1.339 5.898 ( -3.684 0.000 -5.149) 6.331 5.976 ( 0.948 -0.000 -2.304) 2.491 5.977 ( 1.121 -0.000 -3.255) 3.442 7.632 ( -8.844 0.000 0.270) 8.848 7.667 ( -6.531 0.000 -0.943) 6.599 7.726 ( -2.465 0.000 2.576) 3.566 7.801 ( -1.815 0.000 1.023) 2.084 7.945 ( -16.885 0.000 1.790) 16.980 7.999 ( -16.845 0.000 -0.968) 16.873 8.229 ( -2.961 0.000 4.458) 5.352 8.286 ( -2.834 0.000 0.047) 2.834 8.412 ( -4.216 0.000 1.878) 4.615 8.465 ( -4.559 0.000 4.483) 6.394 8.501 ( -5.927 0.000 -1.180) 6.043 8.567 ( -6.445 0.000 0.399) 6.457 9.236 ( 29.343 -0.000 2.265) 29.430 9.387 ( 29.252 -0.000 -6.236) 29.910 9.880 ( 2.520 -0.000 -2.553) 3.587 9.904 ( 10.433 -0.000 -0.922) 10.474 10.103 ( 9.382 -0.000 -4.658) 10.475 10.128 ( -0.676 0.000 -3.869) 3.927 10.409 ( -1.103 0.000 6.014) 6.115 10.585 ( 3.285 -0.000 -3.272) 4.636 10.640 ( -10.266 0.000 1.742) 10.413 10.832 ( -5.560 0.000 -4.316) 7.039 11.063 ( 3.168 -0.000 0.193) 3.174 11.118 ( 7.079 -0.000 -2.967) 7.676 11.571 ( -5.003 0.000 5.455) 7.402 11.668 ( -8.540 0.000 -1.756) 8.718 11.753 ( 1.672 -0.000 4.055) 4.386 11.799 ( 0.214 -0.000 2.835) 2.843 11.815 ( 1.919 -0.000 1.822) 2.646 11.862 ( 3.113 -0.000 0.269) 3.125 11.918 ( 3.905 -0.000 1.935) 4.358 11.949 ( -0.267 0.000 -1.347) 1.373 12.135 ( 4.915 -0.000 -0.000) 4.915 12.227 ( -7.154 0.000 3.621) 8.018 12.329 ( 6.994 -0.000 3.006) 7.613 12.442 ( 3.486 -0.000 -5.633) 6.625 12.597 ( 4.987 -0.000 0.340) 4.998 12.717 ( 2.700 -0.000 -7.265) 7.751 13.094 ( -4.157 0.000 0.948) 4.264 13.160 ( -4.449 0.000 -1.964) 4.863 13.360 ( -23.204 0.000 3.711) 23.499 13.455 ( -9.918 0.000 5.025) 11.118 13.672 ( 6.975 -0.000 8.213) 10.775 13.771 ( -7.499 0.000 1.339) 7.618 13.788 ( 4.026 -0.000 -0.255) 4.034 14.134 ( 0.522 -0.000 -7.178) 7.197 14.462 ( 6.068 -0.000 -0.370) 6.079 14.747 ( 3.005 -0.000 -9.170) 9.650 ======================= Grid point 163 (61/84) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 22.723 -0.555 6.169) 23.552 3.320 ( 21.333 -9.285 6.387) 24.127 3.410 ( 11.860 -0.986 -4.302) 12.654 3.536 ( 13.738 -8.175 -3.570) 16.380 3.683 ( -11.990 6.133 4.443) 14.182 3.769 ( -11.060 0.913 -0.458) 11.107 3.866 ( 0.064 11.567 5.273) 12.712 3.938 ( -9.849 8.323 7.675) 15.006 3.998 ( -10.566 1.123 3.870) 11.309 4.024 ( -20.477 -4.417 0.776) 20.962 4.200 ( -1.940 7.220 -6.862) 10.148 4.309 ( -1.630 -0.714 -3.853) 4.244 4.697 ( 3.511 -2.691 2.289) 4.981 4.753 ( 4.243 -7.414 0.653) 8.568 4.825 ( 6.217 -12.352 3.535) 14.273 4.862 ( 10.552 -4.798 10.926) 15.929 4.932 ( -3.303 -6.783 1.074) 7.621 5.384 ( -13.735 1.659 9.484) 16.773 5.483 ( -2.745 9.469 3.941) 10.617 5.606 ( 10.055 1.648 -13.294) 16.750 5.673 ( -0.367 3.506 -2.869) 4.545 5.811 ( -5.763 3.174 -7.816) 10.217 5.942 ( 0.000 4.303 -2.667) 5.062 5.987 ( 1.195 1.403 -4.327) 4.703 7.523 ( -6.714 1.509 0.534) 6.902 7.568 ( -6.330 1.802 -0.819) 6.632 7.687 ( -2.847 0.183 1.756) 3.350 7.753 ( -5.914 0.583 0.969) 6.021 7.820 ( -4.009 -1.971 0.811) 4.541 7.851 ( -9.109 -3.387 -0.659) 9.741 8.224 ( 0.143 -0.637 3.573) 3.632 8.281 ( 1.995 1.057 0.202) 2.267 8.373 ( -1.090 1.113 1.017) 1.861 8.416 ( -3.762 0.764 0.174) 3.843 8.449 ( -2.136 -0.320 2.481) 3.290 8.519 ( -3.671 -1.813 0.552) 4.131 9.579 ( 25.628 -0.066 2.569) 25.756 9.723 ( 22.826 -0.432 -4.987) 23.368 9.942 ( 1.967 -3.771 -2.714) 5.046 10.000 ( 0.723 -2.726 -3.154) 4.231 10.099 ( -5.392 -1.571 -4.794) 7.384 10.149 ( -2.646 1.216 -4.828) 5.638 10.371 ( -0.591 -0.507 6.938) 6.982 10.553 ( -0.834 -1.171 1.131) 1.829 10.630 ( -1.739 -1.405 -0.412) 2.274 10.807 ( -2.470 -2.210 -5.132) 6.109 11.099 ( 3.546 -0.526 1.381) 3.842 11.220 ( 6.406 -1.923 -3.731) 7.659 11.449 ( -2.557 8.066 2.282) 8.764 11.492 ( -3.853 10.700 0.953) 11.413 11.652 ( 2.124 9.668 4.103) 10.715 11.732 ( -4.001 7.436 3.604) 9.181 11.750 ( -2.644 5.435 -0.511) 6.066 11.890 ( 0.502 8.132 -3.018) 8.688 11.963 ( 4.443 -4.030 4.629) 7.577 12.056 ( 4.407 -6.366 2.270) 8.069 12.157 ( -5.778 -5.376 5.250) 9.479 12.170 ( -3.698 -1.875 3.382) 5.350 12.464 ( 8.209 1.454 0.336) 8.343 12.622 ( 9.417 -6.269 1.795) 11.455 12.657 ( 7.621 -2.228 -4.083) 8.928 12.780 ( 1.137 -3.672 -6.825) 7.833 13.053 ( -8.302 1.062 -0.645) 8.394 13.099 ( -3.386 -3.897 -2.102) 5.575 13.198 ( -12.431 -8.588 -0.103) 15.109 13.272 ( -16.392 -3.179 -2.455) 16.877 13.641 ( -3.890 3.843 6.132) 8.216 13.741 ( 3.096 0.465 9.312) 9.824 13.879 ( 5.210 0.242 1.708) 5.488 14.151 ( 1.196 -1.054 -7.144) 7.320 14.539 ( 3.394 -2.137 -1.507) 4.285 14.766 ( 1.676 1.303 -8.397) 8.661 ======================= Grid point 164 (62/84) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -0.000 -2.994 4.759) 5.623 3.384 ( 0.000 15.637 11.371) 19.335 3.444 ( 0.000 16.572 4.671) 17.218 3.570 ( 0.000 0.516 2.095) 2.158 3.677 ( 0.000 2.169 -3.367) 4.005 3.700 ( 0.000 2.127 6.191) 6.546 3.755 ( -0.000 -10.070 5.918) 11.681 3.889 ( -0.000 -7.510 5.647) 9.396 3.915 ( -0.000 -8.133 -4.677) 9.382 4.044 ( 0.000 5.225 -10.643) 11.856 4.047 ( -0.000 -13.050 -0.617) 13.064 4.215 ( 0.000 7.869 -11.369) 13.827 4.828 ( -0.000 -8.916 5.284) 10.364 4.940 ( -0.000 -8.830 6.007) 10.679 4.956 ( -0.000 -3.905 0.175) 3.909 5.025 ( -0.000 -1.547 13.618) 13.705 5.094 ( -0.000 -16.224 -0.211) 16.226 5.184 ( 0.000 17.353 7.018) 18.718 5.332 ( -0.000 -0.908 8.396) 8.445 5.569 ( 0.000 9.234 -7.075) 11.633 5.675 ( 0.000 3.042 -12.842) 13.198 5.685 ( 0.000 3.080 -6.918) 7.572 5.858 ( 0.000 6.102 -1.727) 6.342 5.958 ( 0.000 3.206 -4.826) 5.794 7.450 ( 0.000 1.767 -0.173) 1.775 7.484 ( 0.000 2.853 -1.559) 3.251 7.672 ( -0.000 -0.447 1.486) 1.551 7.724 ( -0.000 -1.922 1.832) 2.655 7.820 ( -0.000 -0.735 -0.956) 1.206 7.863 ( -0.000 -4.663 -1.787) 4.994 8.239 ( -0.000 -0.925 1.968) 2.175 8.282 ( 0.000 1.021 0.424) 1.105 8.341 ( 0.000 2.217 0.473) 2.267 8.358 ( 0.000 2.772 0.674) 2.853 8.448 ( -0.000 -0.885 2.108) 2.286 8.539 ( -0.000 -3.829 -1.498) 4.112 9.825 ( 0.000 0.336 1.031) 1.084 9.887 ( 0.000 2.839 -2.816) 3.999 9.914 ( -0.000 -0.271 -0.924) 0.963 10.013 ( -0.000 -3.827 0.315) 3.840 10.089 ( -0.000 -4.984 -6.397) 8.110 10.175 ( -0.000 -7.295 -1.411) 7.430 10.451 ( -0.000 -6.291 4.434) 7.696 10.543 ( -0.000 -0.141 4.506) 4.508 10.675 ( -0.000 -3.418 -1.741) 3.836 10.800 ( -0.000 -0.333 -5.182) 5.193 11.155 ( -0.000 -2.202 3.650) 4.263 11.200 ( 0.000 19.239 0.973) 19.264 11.302 ( 0.000 11.854 -1.762) 11.984 11.338 ( -0.000 -5.569 -4.797) 7.350 11.543 ( 0.000 7.687 3.723) 8.541 11.579 ( 0.000 4.916 2.817) 5.666 11.654 ( 0.000 4.051 -1.199) 4.225 11.727 ( 0.000 11.922 -4.751) 12.834 12.026 ( 0.000 0.083 6.860) 6.861 12.141 ( -0.000 -0.220 4.996) 5.001 12.191 ( -0.000 -4.180 2.022) 4.643 12.215 ( -0.000 -6.159 3.574) 7.121 12.448 ( 0.000 4.286 4.948) 6.546 12.659 ( -0.000 -1.987 3.993) 4.460 12.801 ( -0.000 -1.931 -1.840) 2.667 12.881 ( 0.000 1.212 -11.078) 11.144 13.029 ( 0.000 1.601 -4.219) 4.513 13.089 ( -0.000 -8.713 -3.777) 9.497 13.213 ( -0.000 -11.915 3.436) 12.400 13.403 ( -0.000 -17.817 -4.511) 18.379 13.538 ( 0.000 6.388 7.760) 10.051 13.719 ( 0.000 4.993 6.175) 7.941 13.916 ( -0.000 -1.379 3.908) 4.145 14.192 ( -0.000 -2.765 -6.355) 6.930 14.602 ( -0.000 -2.854 -2.363) 3.705 14.746 ( 0.000 2.847 -6.883) 7.449 ======================= Grid point 172 (63/84) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 0.000 -0.000 5.310) 5.310 3.396 ( 0.000 -0.000 3.832) 3.832 3.543 ( 0.000 -0.000 -0.106) 0.106 3.561 ( -0.000 0.000 2.846) 2.846 3.649 ( 0.000 -0.000 -5.544) 5.544 3.682 ( -0.000 0.000 -2.253) 2.253 3.717 ( -0.000 0.000 3.365) 3.365 3.759 ( -0.000 0.000 0.906) 0.906 4.071 ( 0.000 -0.000 9.935) 9.935 4.174 ( 0.000 -0.000 1.226) 1.226 4.205 ( 0.000 -0.000 -0.135) 0.135 4.235 ( -0.000 0.000 2.823) 2.823 4.695 ( -0.000 0.000 -1.016) 1.016 4.709 ( 0.000 -0.000 -1.482) 1.482 4.721 ( 0.000 -0.000 -2.271) 2.271 4.808 ( 0.000 -0.000 -5.562) 5.562 5.022 ( -0.000 0.000 18.958) 18.958 5.243 ( 0.000 -0.000 12.268) 12.268 5.556 ( 0.000 -0.000 2.800) 2.800 5.690 ( 0.000 -0.000 -0.348) 0.348 5.726 ( 0.000 -0.000 -12.696) 12.696 5.761 ( -0.000 0.000 -8.827) 8.827 5.991 ( 0.000 -0.000 -4.662) 4.662 5.992 ( 0.000 -0.000 -3.412) 3.412 7.501 ( 0.000 -0.000 1.327) 1.327 7.533 ( 0.000 -0.000 0.810) 0.810 7.664 ( 0.000 -0.000 -0.229) 0.229 7.730 ( 0.000 -0.000 -2.403) 2.403 7.754 ( 0.000 -0.000 2.663) 2.663 7.791 ( 0.000 -0.000 2.319) 2.319 8.219 ( 0.000 -0.000 4.223) 4.223 8.304 ( 0.000 -0.000 0.042) 0.042 8.381 ( 0.000 -0.000 0.359) 0.359 8.400 ( 0.000 -0.000 -0.967) 0.967 8.429 ( 0.000 -0.000 3.330) 3.330 8.481 ( 0.000 -0.000 1.838) 1.838 9.775 ( 0.000 -0.000 9.300) 9.300 9.893 ( 0.000 -0.000 -3.164) 3.164 9.931 ( 0.000 -0.000 -5.262) 5.262 10.001 ( -0.000 0.000 -7.926) 7.926 10.009 ( 0.000 -0.000 -8.433) 8.433 10.120 ( -0.000 0.000 -7.666) 7.666 10.321 ( 0.000 -0.000 7.371) 7.371 10.518 ( 0.000 -0.000 5.629) 5.629 10.624 ( 0.000 -0.000 -4.734) 4.734 10.788 ( 0.000 -0.000 -5.356) 5.356 11.107 ( 0.000 -0.000 1.435) 1.435 11.243 ( 0.000 -0.000 -4.997) 4.997 11.478 ( 0.000 -0.000 3.904) 3.904 11.521 ( 0.000 -0.000 0.697) 0.697 11.785 ( -0.000 0.000 8.046) 8.046 11.813 ( 0.000 -0.000 1.768) 1.768 11.821 ( 0.000 -0.000 2.171) 2.171 11.952 ( 0.000 -0.000 -0.646) 0.646 11.972 ( 0.000 -0.000 5.575) 5.575 12.028 ( -0.000 0.000 2.406) 2.406 12.048 ( -0.000 0.000 6.077) 6.077 12.083 ( 0.000 -0.000 0.621) 0.621 12.587 ( 0.000 -0.000 -1.195) 1.195 12.647 ( 0.000 -0.000 5.444) 5.444 12.725 ( 0.000 -0.000 -6.610) 6.610 12.736 ( -0.000 0.000 -6.188) 6.188 12.949 ( -0.000 0.000 -0.865) 0.865 13.035 ( 0.000 -0.000 0.086) 0.086 13.068 ( 0.000 -0.000 -7.750) 7.750 13.107 ( -0.000 0.000 -3.428) 3.428 13.656 ( 0.000 -0.000 9.558) 9.558 13.760 ( 0.000 -0.000 9.724) 9.724 13.918 ( 0.000 -0.000 1.100) 1.100 14.148 ( 0.000 -0.000 -7.287) 7.287 14.542 ( 0.000 -0.000 -1.647) 1.647 14.786 ( 0.000 -0.000 -8.748) 8.748 ======================= Grid point 201 (64/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.000 0.000 -31.914) 31.914 2.121 ( 0.000 0.000 31.914) 31.914 2.258 ( 0.000 0.000 -34.765) 34.765 2.258 ( 0.000 0.000 34.765) 34.765 3.613 ( 0.000 0.000 -44.131) 44.131 3.613 ( 0.000 0.000 44.131) 44.131 4.006 ( 0.000 0.000 -11.233) 11.233 4.006 ( 0.000 0.000 11.233) 11.233 4.241 ( 0.000 0.000 -3.984) 3.984 4.241 ( 0.000 0.000 3.984) 3.984 4.579 ( 0.000 0.000 -9.710) 9.710 4.579 ( 0.000 0.000 9.710) 9.710 4.788 ( 0.000 0.000 -19.072) 19.072 4.788 ( 0.000 0.000 19.072) 19.072 4.960 ( 0.000 0.000 -12.011) 12.011 4.960 ( 0.000 0.000 12.011) 12.011 5.461 ( 0.000 0.000 -12.583) 12.583 5.461 ( 0.000 0.000 12.583) 12.583 5.578 ( 0.000 0.000 -5.653) 5.653 5.578 ( 0.000 0.000 5.653) 5.653 5.789 ( 0.000 0.000 -7.195) 7.195 5.789 ( 0.000 0.000 7.195) 7.195 5.975 ( 0.000 0.000 -5.716) 5.716 5.975 ( 0.000 0.000 5.716) 5.716 7.419 ( 0.000 0.000 -4.641) 4.641 7.419 ( 0.000 0.000 4.641) 4.641 7.850 ( 0.000 0.000 -0.461) 0.461 7.850 ( 0.000 0.000 0.461) 0.461 8.058 ( 0.000 0.000 -1.353) 1.353 8.058 ( 0.000 0.000 1.353) 1.353 8.137 ( 0.000 0.000 -0.993) 0.993 8.137 ( 0.000 0.000 0.993) 0.993 8.234 ( 0.000 0.000 -7.021) 7.021 8.234 ( 0.000 0.000 7.021) 7.021 8.981 ( 0.000 0.000 -13.849) 13.849 8.981 ( 0.000 0.000 13.849) 13.849 9.598 ( 0.000 0.000 -4.960) 4.960 9.598 ( 0.000 0.000 4.960) 4.960 9.848 ( 0.000 0.000 -3.962) 3.962 9.848 ( 0.000 0.000 3.962) 3.962 10.337 ( 0.000 0.000 -3.812) 3.812 10.337 ( 0.000 0.000 3.812) 3.812 10.453 ( 0.000 0.000 -6.123) 6.123 10.453 ( 0.000 0.000 6.123) 6.123 11.002 ( 0.000 0.000 -2.692) 2.692 11.002 ( 0.000 0.000 2.692) 2.692 11.159 ( 0.000 0.000 -5.581) 5.581 11.159 ( 0.000 0.000 5.581) 5.581 11.192 ( 0.000 0.000 -7.773) 7.773 11.192 ( 0.000 0.000 7.773) 7.773 11.610 ( 0.000 0.000 -2.545) 2.545 11.610 ( 0.000 0.000 2.545) 2.545 12.010 ( 0.000 0.000 -13.633) 13.633 12.010 ( 0.000 0.000 13.633) 13.633 12.071 ( 0.000 0.000 -5.737) 5.737 12.071 ( 0.000 0.000 5.737) 5.737 12.206 ( 0.000 0.000 -7.556) 7.556 12.206 ( 0.000 0.000 7.556) 7.556 12.238 ( 0.000 0.000 -8.443) 8.443 12.238 ( 0.000 0.000 8.443) 8.443 12.509 ( 0.000 0.000 -6.487) 6.487 12.509 ( 0.000 0.000 6.487) 6.487 12.707 ( 0.000 0.000 -2.702) 2.702 12.707 ( 0.000 0.000 2.702) 2.702 13.410 ( 0.000 0.000 -0.235) 0.235 13.410 ( 0.000 0.000 0.235) 0.235 14.170 ( 0.000 0.000 -11.453) 11.453 14.170 ( 0.000 0.000 11.453) 11.453 14.234 ( 0.000 0.000 -6.132) 6.132 14.234 ( 0.000 0.000 6.132) 6.132 14.590 ( 0.000 0.000 -6.794) 6.794 14.590 ( 0.000 0.000 6.794) 6.794 ======================= Grid point 203 (65/84) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 5.394 -11.375 -29.160) 31.761 2.247 ( 5.394 -11.375 29.160) 31.761 2.344 ( 4.102 -7.610 -31.804) 32.958 2.344 ( 4.102 -7.610 31.804) 32.958 3.724 ( 8.054 -6.712 -38.682) 40.078 3.724 ( 8.054 -6.712 38.682) 40.078 3.979 ( 0.097 3.737 -10.220) 10.882 3.979 ( 0.097 3.737 10.220) 10.882 4.247 ( 0.524 -0.963 -3.502) 3.669 4.247 ( 0.524 -0.963 3.502) 3.669 4.568 ( -1.898 0.904 -10.184) 10.399 4.568 ( -1.898 0.904 10.184) 10.399 4.778 ( -2.278 -0.412 -16.064) 16.230 4.778 ( -2.278 -0.412 16.064) 16.230 4.967 ( -0.255 -2.268 -10.052) 10.308 4.967 ( -0.255 -2.268 10.052) 10.308 5.374 ( -7.755 2.722 -8.207) 11.615 5.374 ( -7.755 2.722 8.207) 11.615 5.573 ( 0.215 2.873 -1.586) 3.289 5.573 ( 0.215 2.873 1.586) 3.289 5.787 ( 3.808 3.421 -4.896) 7.084 5.787 ( 3.808 3.421 4.896) 7.084 5.945 ( -0.415 3.481 -5.385) 6.426 5.945 ( -0.415 3.481 5.385) 6.426 7.474 ( 8.992 0.414 -4.463) 10.047 7.474 ( 8.992 0.414 4.463) 10.047 7.841 ( 0.467 1.410 -2.022) 2.509 7.841 ( 0.467 1.410 2.022) 2.509 8.058 ( 0.697 0.499 -0.932) 1.267 8.058 ( 0.697 0.499 0.932) 1.267 8.150 ( 1.535 -0.563 -0.344) 1.671 8.150 ( 1.535 -0.563 0.344) 1.671 8.277 ( 7.113 0.254 -4.546) 8.445 8.277 ( 7.113 0.254 4.546) 8.445 8.945 ( 2.467 6.046 -13.050) 14.593 8.945 ( 2.467 6.046 13.050) 14.593 9.576 ( -8.601 -1.289 -4.592) 9.835 9.576 ( -8.601 -1.289 4.592) 9.835 9.836 ( -4.993 -5.876 -3.148) 8.328 9.836 ( -4.993 -5.876 3.148) 8.328 10.303 ( -8.361 3.514 -2.992) 9.550 10.303 ( -8.361 3.514 2.992) 9.550 10.367 ( -9.738 -1.271 -1.874) 9.998 10.367 ( -9.738 -1.271 1.874) 9.998 10.909 ( -8.363 -0.889 -1.669) 8.575 10.909 ( -8.363 -0.889 1.669) 8.575 11.116 ( 0.401 4.654 -6.899) 8.332 11.116 ( 0.401 4.654 6.899) 8.332 11.227 ( 7.733 3.101 -5.825) 10.166 11.227 ( 7.733 3.101 5.825) 10.166 11.632 ( 4.092 6.182 -1.290) 7.525 11.632 ( 4.092 6.182 1.290) 7.525 11.959 ( -1.470 6.151 -7.750) 10.003 11.959 ( -1.470 6.151 7.750) 10.003 12.077 ( 0.503 -4.433 -4.218) 6.140 12.077 ( 0.503 -4.433 4.218) 6.140 12.205 ( 3.272 1.260 -6.124) 7.057 12.205 ( 3.272 1.260 6.124) 7.057 12.352 ( 10.977 -2.051 -4.399) 12.002 12.352 ( 10.977 -2.051 4.399) 12.002 12.539 ( -1.573 -7.846 -5.365) 9.634 12.539 ( -1.573 -7.846 5.365) 9.634 12.815 ( 0.888 -9.786 -5.963) 11.494 12.815 ( 0.888 -9.786 5.963) 11.494 13.405 ( -0.765 -0.245 -1.761) 1.936 13.405 ( -0.765 -0.245 1.761) 1.936 14.146 ( -1.383 3.869 -9.514) 10.363 14.146 ( -1.383 3.869 9.514) 10.363 14.209 ( -1.077 0.230 -6.336) 6.431 14.209 ( -1.077 0.230 6.336) 6.431 14.557 ( -4.532 0.462 -6.589) 8.010 14.557 ( -4.532 0.462 6.589) 8.010 ======================= Grid point 205 (66/84) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 6.457 -14.562 -27.227) 31.544 2.546 ( 6.457 -14.562 27.227) 31.544 2.607 ( 9.987 -16.657 -22.632) 29.823 2.607 ( 9.987 -16.657 22.632) 29.823 3.819 ( -1.576 8.415 -5.595) 10.227 3.819 ( -1.576 8.415 5.595) 10.227 4.008 ( 8.488 -4.928 -16.563) 19.253 4.008 ( 8.488 -4.928 16.563) 19.253 4.318 ( 2.365 -7.121 -12.370) 14.468 4.318 ( 2.365 -7.121 12.370) 14.468 4.466 ( -3.379 6.674 -9.774) 12.308 4.466 ( -3.379 6.673 9.774) 12.308 4.764 ( -4.545 -3.411 -6.810) 8.869 4.764 ( -4.545 -3.411 6.810) 8.869 5.031 ( 1.448 -3.167 -9.491) 10.110 5.031 ( 1.448 -3.167 9.491) 10.110 5.239 ( -6.161 1.506 -6.914) 9.383 5.239 ( -6.161 1.506 6.914) 9.383 5.490 ( -2.090 5.440 -2.017) 6.166 5.490 ( -2.090 5.440 2.017) 6.166 5.755 ( 2.242 6.545 -1.610) 7.103 5.755 ( 2.242 6.545 1.610) 7.103 5.866 ( -0.660 5.364 -4.659) 7.135 5.866 ( -0.660 5.364 4.659) 7.135 7.608 ( 12.661 0.706 -3.617) 13.186 7.608 ( 12.661 0.706 3.617) 13.186 7.822 ( 1.271 2.174 -2.791) 3.759 7.822 ( 1.271 2.174 2.791) 3.759 8.066 ( 2.686 0.469 -1.959) 3.357 8.066 ( 2.686 0.469 1.959) 3.357 8.200 ( 3.057 -2.557 -0.821) 4.069 8.200 ( 3.057 -2.557 0.821) 4.069 8.375 ( 9.158 1.658 -2.277) 9.581 8.375 ( 9.158 1.658 2.277) 9.581 8.891 ( 8.447 8.116 -11.998) 16.768 8.891 ( 8.447 8.116 11.998) 16.768 9.391 ( -18.788 1.953 -2.113) 19.007 9.391 ( -18.788 1.953 2.113) 19.007 9.902 ( -15.657 -6.742 -1.990) 17.163 9.902 ( -15.657 -6.742 1.990) 17.163 10.050 ( -16.660 -7.592 -2.938) 18.543 10.050 ( -16.660 -7.592 2.938) 18.543 10.321 ( -0.152 1.833 -4.723) 5.069 10.321 ( -0.152 1.833 4.723) 5.069 10.885 ( -2.178 -3.672 -4.880) 6.484 10.885 ( -2.178 -3.672 4.880) 6.484 11.022 ( 1.412 8.990 -8.389) 12.377 11.022 ( 1.412 8.990 8.389) 12.377 11.272 ( 6.472 5.074 -5.243) 9.753 11.272 ( 6.472 5.074 5.243) 9.753 11.524 ( -0.038 7.264 -1.731) 7.468 11.524 ( -0.038 7.264 1.731) 7.468 11.830 ( 0.600 7.320 -2.406) 7.729 11.830 ( 0.600 7.320 2.406) 7.729 12.140 ( -0.543 -0.810 -3.775) 3.899 12.140 ( -0.543 -0.810 3.775) 3.899 12.278 ( 4.065 -4.676 -2.499) 6.681 12.278 ( 4.065 -4.676 2.499) 6.681 12.494 ( 5.798 -1.951 -4.307) 7.481 12.494 ( 5.798 -1.951 4.307) 7.481 12.731 ( 3.309 -13.365 -7.127) 15.504 12.731 ( 3.309 -13.365 7.127) 15.504 12.969 ( 3.726 -5.995 -5.438) 8.910 12.969 ( 3.726 -5.995 5.438) 8.910 13.410 ( 1.193 -0.437 -4.659) 4.829 13.410 ( 1.193 -0.437 4.659) 4.829 14.019 ( -6.377 5.064 -9.160) 12.256 14.019 ( -6.377 5.064 9.160) 12.256 14.206 ( 1.764 1.893 -6.272) 6.785 14.206 ( 1.764 1.893 6.272) 6.785 14.476 ( -7.312 -0.169 -6.119) 9.536 14.476 ( -7.312 -0.169 6.119) 9.536 ======================= Grid point 207 (67/84) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 6.556 -15.074 -20.510) 26.284 2.856 ( 6.556 -15.074 20.510) 26.284 3.044 ( 13.069 -19.310 -16.691) 28.675 3.044 ( 13.069 -19.310 16.691) 28.675 3.595 ( -4.966 13.153 -10.615) 17.617 3.595 ( -4.966 13.153 10.615) 17.617 3.975 ( -9.712 10.234 -12.804) 19.053 3.975 ( -9.712 10.234 12.804) 19.053 4.403 ( 9.934 1.267 -3.811) 10.715 4.403 ( 9.934 1.267 3.811) 10.715 4.573 ( 3.559 -13.346 -14.816) 20.256 4.573 ( 3.559 -13.346 14.816) 20.256 4.746 ( -5.199 -3.307 -6.666) 9.078 4.746 ( -5.199 -3.307 6.666) 9.078 5.029 ( -1.519 1.788 -3.022) 3.827 5.029 ( -1.519 1.788 3.022) 3.827 5.208 ( 0.209 3.025 -5.265) 6.076 5.208 ( 0.209 3.025 5.265) 6.076 5.415 ( -2.274 -2.906 -6.368) 7.360 5.415 ( -2.274 -2.906 6.368) 7.360 5.640 ( -0.490 8.652 -2.447) 9.005 5.640 ( -0.490 8.652 2.447) 9.005 5.774 ( -0.852 5.339 -3.162) 6.263 5.774 ( -0.852 5.339 3.162) 6.263 7.716 ( 5.677 0.956 -1.468) 5.941 7.716 ( 5.677 0.956 1.468) 5.941 7.813 ( 1.783 1.454 -1.774) 2.905 7.813 ( 1.783 1.454 1.774) 2.905 8.132 ( 6.693 -1.077 -1.207) 6.886 8.132 ( 6.693 -1.077 1.207) 6.886 8.315 ( 8.255 -2.987 -3.169) 9.333 8.315 ( 8.255 -2.987 3.169) 9.333 8.411 ( 3.269 3.025 -1.449) 4.683 8.411 ( 3.269 3.025 1.449) 4.683 8.927 ( 6.825 3.590 -7.309) 10.625 8.927 ( 6.825 3.590 7.309) 10.625 9.114 ( -8.593 6.475 -3.969) 11.468 9.114 ( -8.593 6.475 3.969) 11.468 9.603 ( -32.168 -4.654 -4.139) 32.765 9.603 ( -32.168 -4.654 4.139) 32.765 10.191 ( 1.005 -8.775 -6.190) 10.786 10.191 ( 1.005 -8.775 6.190) 10.786 10.325 ( -0.487 -5.433 -8.266) 9.903 10.325 ( -0.487 -5.433 8.266) 9.903 10.860 ( 1.269 12.510 -5.413) 13.690 10.860 ( 1.269 12.510 5.413) 13.690 10.958 ( 0.812 -4.503 -3.148) 5.554 10.958 ( 0.812 -4.503 3.148) 5.554 11.197 ( -2.824 4.565 -3.937) 6.657 11.197 ( -2.824 4.565 3.937) 6.657 11.430 ( 1.655 8.017 -5.427) 9.821 11.430 ( 1.655 8.017 5.427) 9.821 11.825 ( 7.189 -0.556 -1.080) 7.291 11.825 ( 7.189 -0.556 1.080) 7.291 12.097 ( -4.986 1.481 -3.448) 6.240 12.097 ( -4.986 1.481 3.448) 6.240 12.397 ( 3.688 -3.420 -1.056) 5.139 12.397 ( 3.688 -3.420 1.056) 5.139 12.560 ( 0.903 -1.524 -5.756) 6.022 12.560 ( 0.903 -1.524 5.756) 6.022 12.943 ( -3.651 -13.125 -9.567) 16.647 12.943 ( -3.651 -13.125 9.567) 16.647 13.081 ( 8.557 2.680 -3.416) 9.596 13.081 ( 8.557 2.680 3.416) 9.596 13.473 ( 6.878 -2.338 -6.068) 9.466 13.473 ( 6.878 -2.338 6.068) 9.466 13.854 ( -7.776 4.801 -9.479) 13.167 13.854 ( -7.776 4.801 9.479) 13.167 14.175 ( -0.653 2.843 -3.976) 4.931 14.175 ( -0.653 2.843 3.976) 4.931 14.409 ( -4.610 -1.220 -4.263) 6.397 14.409 ( -4.610 -1.220 4.263) 6.397 ======================= Grid point 209 (68/84) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 0.000 0.000 -0.000) 0.000 3.084 ( 0.000 -0.000 0.000) 0.000 3.363 ( 0.000 -0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.428 ( -0.000 0.000 -0.000) 0.000 3.428 ( -0.000 -0.000 0.000) 0.000 3.695 ( 0.000 -0.000 0.000) 0.000 3.695 ( 0.000 -0.000 0.000) 0.000 4.523 ( 0.000 -0.000 -0.000) 0.000 4.523 ( 0.000 -0.000 0.000) 0.000 4.586 ( -0.000 -0.000 -0.000) 0.000 4.586 ( -0.000 -0.000 0.000) 0.000 4.918 ( 0.000 -0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.925 ( -0.000 -0.000 -0.000) 0.000 4.925 ( -0.000 0.000 0.000) 0.000 5.142 ( -0.000 -0.000 -0.000) 0.000 5.142 ( 0.000 -0.000 0.000) 0.000 5.507 ( 0.000 -0.000 -0.000) 0.000 5.507 ( -0.000 -0.000 0.000) 0.000 5.511 ( -0.000 0.000 -0.000) 0.000 5.511 ( 0.000 -0.000 0.000) 0.000 5.712 ( 0.000 -0.000 0.000) 0.000 5.712 ( 0.000 -0.000 0.000) 0.000 7.737 ( 0.000 -0.000 0.000) 0.000 7.737 ( 0.000 -0.000 0.000) 0.000 7.814 ( 0.000 -0.000 0.000) 0.000 7.814 ( 0.000 -0.000 0.000) 0.000 8.202 ( 0.000 -0.000 0.000) 0.000 8.202 ( 0.000 -0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.358 ( -0.000 -0.000 0.000) 0.000 8.486 ( 0.000 -0.000 0.000) 0.000 8.486 ( 0.000 -0.000 0.000) 0.000 8.807 ( -0.000 -0.000 0.000) 0.000 8.807 ( 0.000 -0.000 0.000) 0.000 9.142 ( -0.000 -0.000 0.000) 0.000 9.142 ( 0.000 -0.000 0.000) 0.000 9.378 ( 0.000 -0.000 -0.000) 0.000 9.378 ( 0.000 -0.000 0.000) 0.000 10.240 ( 0.000 -0.000 0.000) 0.000 10.240 ( 0.000 -0.000 0.000) 0.000 10.444 ( 0.000 -0.000 -0.000) 0.000 10.444 ( 0.000 -0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 -0.000 0.000) 0.000 11.022 ( 0.000 -0.000 0.000) 0.000 11.132 ( -0.000 -0.000 0.000) 0.000 11.132 ( 0.000 -0.000 0.000) 0.000 11.360 ( 0.000 -0.000 -0.000) 0.000 11.360 ( 0.000 -0.000 0.000) 0.000 11.932 ( -0.000 -0.000 0.000) 0.000 11.932 ( 0.000 -0.000 0.000) 0.000 12.007 ( -0.000 -0.000 -0.000) 0.000 12.007 ( 0.000 -0.000 0.000) 0.000 12.450 ( -0.000 -0.000 0.000) 0.000 12.450 ( 0.000 -0.000 0.000) 0.000 12.574 ( -0.000 -0.000 -0.000) 0.000 12.574 ( 0.000 -0.000 0.000) 0.000 13.042 ( -0.000 -0.000 -0.000) 0.000 13.042 ( -0.000 -0.000 0.000) 0.000 13.084 ( 0.000 0.000 -0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.606 ( -0.000 -0.000 -0.000) 0.000 13.606 ( 0.000 0.000 -0.000) 0.000 13.709 ( -0.000 -0.000 0.000) 0.000 13.709 ( 0.000 -0.000 0.000) 0.000 14.140 ( 0.000 0.000 0.000) 0.000 14.140 ( 0.000 0.000 0.000) 0.000 14.393 ( 0.000 -0.000 0.000) 0.000 14.393 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 221 (69/84) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 10.483 -0.000 -26.913) 28.883 2.257 ( 10.483 -0.000 26.913) 28.883 2.361 ( 8.110 -0.000 -28.813) 29.933 2.361 ( 8.110 -0.000 28.813) 29.933 3.824 ( 15.575 -0.000 -38.438) 41.474 3.824 ( 15.575 -0.000 38.438) 41.474 4.020 ( 1.214 -0.000 -10.226) 10.297 4.020 ( 1.214 -0.000 10.226) 10.297 4.234 ( -0.718 0.000 -1.754) 1.895 4.234 ( -0.718 0.000 1.754) 1.895 4.564 ( -0.999 0.000 -7.383) 7.450 4.564 ( -0.999 0.000 7.383) 7.450 4.742 ( -3.788 0.000 -11.779) 12.373 4.742 ( -3.788 0.000 11.779) 12.373 4.914 ( -3.178 0.000 -4.504) 5.512 4.914 ( -3.178 0.000 4.504) 5.512 5.250 ( -13.223 0.000 -4.580) 13.994 5.250 ( -13.223 0.000 4.580) 13.994 5.621 ( 1.761 -0.000 -1.906) 2.595 5.621 ( 1.761 -0.000 1.906) 2.595 5.860 ( 3.263 -0.000 -2.566) 4.151 5.860 ( 3.263 -0.000 2.566) 4.151 5.968 ( -0.495 0.000 -4.279) 4.307 5.968 ( -0.495 0.000 4.279) 4.307 7.622 ( 13.016 -0.000 -4.421) 13.746 7.622 ( 13.016 -0.000 4.421) 13.746 7.856 ( 0.228 -0.000 -0.897) 0.926 7.856 ( 0.228 -0.000 0.897) 0.926 8.082 ( 2.991 -0.000 -2.292) 3.768 8.082 ( 2.991 -0.000 2.292) 3.768 8.162 ( 1.887 -0.000 -0.241) 1.903 8.162 ( 1.887 -0.000 0.241) 1.903 8.398 ( 10.182 -0.000 -1.578) 10.304 8.398 ( 10.182 -0.000 1.578) 10.304 9.033 ( 2.887 -0.000 -11.288) 11.651 9.033 ( 2.887 -0.000 11.288) 11.651 9.440 ( -10.728 0.000 -8.579) 13.736 9.440 ( -10.728 0.000 8.579) 13.736 9.744 ( -1.947 0.000 -2.318) 3.027 9.744 ( -1.947 0.000 2.318) 3.027 9.956 ( -35.618 0.000 -1.158) 35.637 9.956 ( -35.618 0.000 1.158) 35.637 10.401 ( 2.353 -0.000 -2.805) 3.661 10.401 ( 2.353 -0.000 2.805) 3.661 10.831 ( -1.954 0.000 -4.616) 5.013 10.831 ( -1.954 0.000 4.616) 5.013 11.147 ( -1.884 0.000 -4.236) 4.636 11.147 ( -1.884 0.000 4.236) 4.636 11.379 ( 11.769 -0.000 -2.766) 12.090 11.379 ( 11.769 -0.000 2.766) 12.090 11.768 ( 2.862 -0.000 -1.406) 3.189 11.768 ( 2.862 -0.000 1.406) 3.189 11.933 ( -5.033 0.000 -9.152) 10.445 11.933 ( -5.033 0.000 9.152) 10.445 11.998 ( -2.401 0.000 -7.117) 7.511 11.998 ( -2.401 0.000 7.117) 7.511 12.285 ( 4.208 -0.000 -9.806) 10.671 12.285 ( 4.208 -0.000 9.806) 10.671 12.419 ( 0.336 -0.000 -3.198) 3.216 12.419 ( 0.336 -0.000 3.198) 3.216 12.497 ( 1.928 -0.000 -2.933) 3.510 12.497 ( 1.928 -0.000 2.933) 3.510 12.804 ( 14.093 -0.000 -1.909) 14.222 12.804 ( 14.093 -0.000 1.909) 14.222 13.385 ( -1.605 0.000 -0.349) 1.642 13.385 ( -1.605 0.000 0.349) 1.642 14.116 ( -7.589 0.000 -8.483) 11.382 14.116 ( -7.589 0.000 8.483) 11.382 14.226 ( 2.625 -0.000 -9.794) 10.140 14.226 ( 2.625 -0.000 9.794) 10.140 14.483 ( -7.686 0.000 -7.916) 11.033 14.483 ( -7.686 0.000 7.916) 11.033 ======================= Grid point 223 (70/84) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 12.225 -8.294 -23.039) 27.368 2.480 ( 12.225 -8.294 23.039) 27.368 2.552 ( 13.096 -8.880 -20.230) 25.683 2.552 ( 13.096 -8.880 20.230) 25.683 3.952 ( 1.633 7.578 -5.688) 9.615 3.952 ( 1.633 7.578 5.688) 9.615 4.077 ( 11.803 -1.819 -20.226) 23.488 4.077 ( 11.803 -1.819 20.226) 23.488 4.253 ( 1.214 -3.955 -9.659) 10.508 4.253 ( 1.214 -3.955 9.659) 10.508 4.532 ( -0.257 3.079 -6.838) 7.504 4.532 ( -0.257 3.079 6.838) 7.504 4.663 ( -5.637 0.333 -7.929) 9.734 4.663 ( -5.637 0.333 7.929) 9.734 4.931 ( -5.252 -5.475 -5.682) 9.479 4.931 ( -5.252 -5.475 5.682) 9.479 5.105 ( -10.270 -3.801 -4.934) 12.011 5.105 ( -10.270 -3.801 4.934) 12.011 5.592 ( 0.831 5.982 -2.034) 6.373 5.592 ( 0.831 5.982 2.034) 6.373 5.857 ( 0.735 3.892 -0.150) 3.964 5.857 ( 0.735 3.892 0.150) 3.964 5.932 ( -0.484 3.606 -3.219) 4.857 5.932 ( -0.484 3.606 3.219) 4.857 7.747 ( 6.446 0.692 -2.770) 7.050 7.747 ( 6.446 0.692 2.770) 7.050 7.850 ( -0.430 0.627 -1.603) 1.774 7.850 ( -0.430 0.627 1.603) 1.774 8.123 ( 3.005 0.156 -3.636) 4.720 8.123 ( 3.005 0.156 3.636) 4.720 8.248 ( 12.950 -0.896 -2.439) 13.208 8.248 ( 12.950 -0.896 2.439) 13.208 8.488 ( 4.913 1.258 -0.457) 5.092 8.488 ( 4.913 1.258 0.457) 5.092 8.982 ( -10.790 0.559 -3.442) 11.340 8.982 ( -10.790 0.559 3.442) 11.340 9.343 ( -4.306 5.724 -11.155) 13.256 9.343 ( -4.306 5.724 11.155) 13.256 9.505 ( -23.795 -1.678 -4.788) 24.330 9.505 ( -23.795 -1.678 4.788) 24.330 9.836 ( 1.340 -7.832 -1.926) 8.176 9.836 ( 1.340 -7.832 1.926) 8.176 10.385 ( 0.999 4.205 -2.880) 5.194 10.385 ( 0.999 4.205 2.880) 5.194 10.838 ( 0.843 -1.242 -5.003) 5.223 10.838 ( 0.843 -1.242 5.003) 5.223 11.096 ( -3.001 1.665 -3.713) 5.056 11.096 ( -3.001 1.665 3.713) 5.056 11.457 ( 6.382 8.713 -2.011) 10.986 11.457 ( 6.382 8.713 2.011) 10.986 11.665 ( 2.598 7.533 -1.398) 8.090 11.665 ( 2.598 7.533 1.398) 8.090 11.899 ( -2.374 2.414 -6.501) 7.330 11.899 ( -2.374 2.414 6.501) 7.330 12.060 ( -3.275 -8.104 -1.904) 8.945 12.060 ( -3.275 -8.104 1.904) 8.945 12.293 ( 4.213 1.631 -5.998) 7.510 12.293 ( 4.213 1.631 5.998) 7.510 12.410 ( -5.112 -4.896 -6.926) 9.903 12.410 ( -5.112 -4.896 6.926) 9.903 12.592 ( 0.029 -8.108 -8.395) 11.671 12.592 ( 0.029 -8.108 8.395) 11.671 13.054 ( 17.667 -2.903 -3.386) 18.221 13.054 ( 17.667 -2.903 3.386) 18.221 13.386 ( -0.122 -2.167 -1.481) 2.628 13.386 ( -0.122 -2.167 1.481) 2.628 13.995 ( -7.155 3.242 -11.296) 13.759 13.995 ( -7.155 3.242 11.296) 13.759 14.212 ( -6.785 0.469 -7.036) 9.786 14.212 ( -6.785 0.469 7.036) 9.786 14.408 ( -1.558 0.243 -9.615) 9.744 14.408 ( -1.558 0.243 9.615) 9.744 ======================= Grid point 225 (71/84) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 11.702 -10.329 -20.130) 25.472 2.769 ( 11.702 -10.329 20.130) 25.472 2.950 ( 16.933 -16.502 -15.244) 28.132 2.950 ( 16.933 -16.502 15.244) 28.132 3.769 ( -2.001 14.302 -10.577) 17.900 3.769 ( -2.001 14.302 10.577) 17.900 4.029 ( -7.062 9.766 -10.016) 15.670 4.029 ( -7.062 9.766 10.016) 15.670 4.413 ( -1.723 -6.247 -9.082) 11.157 4.413 ( -1.723 -6.247 9.082) 11.157 4.528 ( 7.653 -1.846 -2.744) 8.338 4.528 ( 7.653 -1.846 2.744) 8.338 4.656 ( -0.817 -3.441 -9.091) 9.755 4.656 ( -0.817 -3.441 9.091) 9.755 4.895 ( -6.952 -6.573 -3.936) 10.346 4.895 ( -6.952 -6.573 3.936) 10.346 5.181 ( -0.245 -9.399 -9.049) 13.049 5.181 ( -0.245 -9.399 9.049) 13.049 5.459 ( -1.298 10.458 -5.114) 11.714 5.459 ( -1.298 10.458 5.114) 11.714 5.761 ( -1.168 7.490 -0.388) 7.591 5.761 ( -1.168 7.490 0.388) 7.591 5.854 ( -0.605 5.560 -1.872) 5.897 5.854 ( -0.605 5.560 1.872) 5.897 7.760 ( -0.846 1.138 -1.289) 1.916 7.760 ( -0.846 1.138 1.289) 1.916 7.825 ( -2.029 0.582 -0.838) 2.271 7.825 ( -2.029 0.582 0.838) 2.271 8.158 ( 1.156 -1.459 -1.573) 2.437 8.158 ( 1.156 -1.459 1.573) 2.437 8.412 ( 1.063 1.930 -2.861) 3.611 8.412 ( 1.063 1.930 2.861) 3.611 8.530 ( 13.958 2.261 -1.645) 14.235 8.530 ( 13.958 2.261 1.645) 14.235 8.798 ( -12.300 -0.205 -1.597) 12.405 8.798 ( -12.300 -0.205 1.597) 12.405 9.036 ( -29.419 -4.125 -3.717) 29.939 9.036 ( -29.419 -4.125 3.717) 29.939 9.548 ( 23.675 6.965 -12.408) 27.622 9.548 ( 23.675 6.965 12.408) 27.622 10.025 ( 2.691 -12.426 -2.992) 13.061 10.025 ( 2.691 -12.426 2.992) 13.061 10.323 ( 0.003 3.684 -3.954) 5.404 10.323 ( 0.003 3.684 3.954) 5.404 10.887 ( 1.397 -2.837 -5.086) 5.989 10.887 ( 1.397 -2.837 5.086) 5.989 11.038 ( -0.924 2.485 -4.339) 5.085 11.038 ( -0.924 2.485 4.339) 5.085 11.271 ( -2.116 13.507 -3.365) 14.080 11.271 ( -2.116 13.507 3.365) 14.080 11.599 ( 1.697 10.095 -7.223) 12.529 11.599 ( 1.697 10.095 7.223) 12.529 11.878 ( 2.867 -1.257 -1.324) 3.399 11.878 ( 2.867 -1.257 1.324) 3.399 12.051 ( -5.361 0.242 -3.214) 6.255 12.051 ( -5.361 0.242 3.214) 6.255 12.383 ( 2.686 -2.750 -1.130) 4.007 12.383 ( 2.686 -2.750 1.130) 4.007 12.471 ( -2.103 -9.720 -7.769) 12.620 12.471 ( -2.103 -9.720 7.769) 12.620 12.697 ( -3.149 -8.551 -9.615) 13.247 12.697 ( -3.149 -8.551 9.615) 13.247 13.254 ( 8.972 -0.021 -5.209) 10.375 13.254 ( 8.972 -0.021 5.209) 10.375 13.457 ( 3.099 -3.899 -2.973) 5.800 13.457 ( 3.099 -3.899 2.973) 5.800 13.862 ( -3.277 4.917 -12.226) 13.579 13.862 ( -3.277 4.917 12.226) 13.579 14.072 ( -13.965 -1.886 -5.301) 15.055 14.072 ( -13.965 -1.886 5.301) 15.055 14.429 ( 4.835 1.014 -7.645) 9.102 14.429 ( 4.835 1.014 7.645) 9.102 ======================= Grid point 227 (72/84) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 10.159 -8.422 -12.243) 18.001 3.067 ( 10.159 -8.422 12.243) 18.001 3.394 ( 11.892 -9.048 -3.671) 15.387 3.394 ( 11.892 -9.048 3.671) 15.387 3.506 ( -1.444 12.858 -6.436) 14.451 3.506 ( -1.444 12.858 6.436) 14.451 3.743 ( -4.987 9.835 -11.689) 16.069 3.743 ( -4.987 9.835 11.689) 16.069 4.342 ( -14.716 -2.388 -0.456) 14.916 4.342 ( -14.716 -2.388 0.456) 14.916 4.694 ( 0.057 -5.862 -0.823) 5.920 4.694 ( 0.057 -5.862 0.823) 5.920 4.720 ( 3.328 -6.955 -3.827) 8.608 4.720 ( 3.328 -6.955 3.827) 8.608 5.036 ( 7.314 -5.410 -12.051) 15.100 5.036 ( 7.314 -5.410 12.051) 15.100 5.173 ( -2.793 11.449 -8.447) 14.500 5.173 ( -2.793 11.449 8.447) 14.500 5.380 ( -2.450 -7.834 -5.122) 9.675 5.380 ( -2.450 -7.834 5.122) 9.675 5.625 ( -0.808 7.815 -2.411) 8.218 5.625 ( -0.808 7.815 2.411) 8.218 5.762 ( 0.380 5.010 -2.105) 5.447 5.762 ( 0.380 5.010 2.105) 5.447 7.708 ( -5.686 0.511 -0.697) 5.752 7.708 ( -5.686 0.511 0.697) 5.752 7.785 ( -3.589 -0.124 -1.246) 3.801 7.785 ( -3.589 -0.124 1.246) 3.801 8.171 ( -4.001 0.092 -1.005) 4.126 8.171 ( -4.001 0.092 1.005) 4.126 8.300 ( -8.541 -0.215 -0.368) 8.552 8.300 ( -8.541 -0.215 0.368) 8.552 8.473 ( -7.338 4.423 -2.368) 8.889 8.473 ( -7.338 4.423 2.368) 8.889 8.784 ( -19.149 -4.685 -7.206) 20.989 8.784 ( -19.149 -4.685 7.206) 20.989 8.981 ( 23.655 -2.977 -4.890) 24.338 8.981 ( 23.655 -2.977 4.890) 24.338 9.775 ( 27.682 5.809 -7.407) 29.239 9.775 ( 27.682 5.809 7.407) 29.239 10.236 ( 2.742 -5.315 -6.053) 8.510 10.236 ( 2.742 -5.315 6.053) 8.510 10.311 ( -0.366 -6.822 -7.685) 10.282 10.311 ( -0.366 -6.822 7.685) 10.282 10.856 ( -1.632 10.353 -3.197) 10.958 10.856 ( -1.632 10.353 3.197) 10.958 11.034 ( 3.849 -0.953 -1.710) 4.318 11.034 ( 3.849 -0.953 1.710) 4.318 11.109 ( -1.961 1.863 -2.247) 3.517 11.109 ( -1.961 1.863 2.247) 3.517 11.432 ( -1.050 9.433 -5.336) 10.889 11.432 ( -1.050 9.433 5.336) 10.889 11.872 ( -8.307 1.061 -1.105) 8.447 11.872 ( -8.307 1.061 1.105) 8.447 12.045 ( 5.021 -1.798 -1.986) 5.691 12.045 ( 5.021 -1.798 1.986) 5.691 12.406 ( -4.121 -2.234 -4.078) 6.213 12.406 ( -4.121 -2.234 4.078) 6.213 12.572 ( 1.007 -1.672 -3.289) 3.825 12.572 ( 1.007 -1.672 3.289) 3.825 12.817 ( -1.923 -10.987 -4.897) 12.181 12.817 ( -1.923 -10.987 4.897) 12.181 13.271 ( 0.574 4.579 -5.942) 7.523 13.271 ( 0.574 4.579 5.942) 7.523 13.505 ( -3.686 -0.414 -5.744) 6.838 13.505 ( -3.686 -0.414 5.744) 6.838 13.778 ( -0.635 1.383 -5.577) 5.781 13.778 ( -0.635 1.383 5.577) 5.781 14.014 ( -4.585 -6.338 -4.964) 9.264 14.014 ( -4.585 -6.338 4.964) 9.264 14.476 ( 6.218 1.944 -3.577) 7.432 14.476 ( 6.218 1.944 3.577) 7.432 ======================= Grid point 229 (73/84) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -1.754 16.383 -16.238) 23.133 3.053 ( -1.754 16.383 16.238) 23.133 3.214 ( -7.804 19.168 -15.892) 26.093 3.214 ( -7.804 19.168 15.892) 26.093 3.507 ( 7.988 -8.030 -9.522) 14.797 3.507 ( 7.988 -8.030 9.522) 14.797 3.951 ( 11.485 -10.246 -8.637) 17.649 3.951 ( 11.485 -10.246 8.637) 17.649 4.215 ( -10.399 -6.087 -1.123) 12.101 4.215 ( -10.399 -6.087 1.123) 12.101 4.712 ( -9.677 0.389 -9.425) 13.514 4.712 ( -9.677 0.389 9.425) 13.514 4.824 ( 1.573 6.109 -5.165) 8.153 4.824 ( 1.573 6.109 5.165) 8.153 4.938 ( 3.139 -0.132 -7.944) 8.542 4.938 ( 3.139 -0.132 7.944) 8.542 5.208 ( 2.760 -1.317 -7.145) 7.772 5.208 ( 2.760 -1.317 7.145) 7.772 5.472 ( -0.988 -4.719 -5.755) 7.508 5.472 ( -0.988 -4.719 5.755) 7.508 5.534 ( 0.121 0.319 -3.878) 3.893 5.534 ( 0.121 0.319 3.878) 3.893 5.742 ( 1.983 -0.486 -4.656) 5.084 5.742 ( 1.983 -0.486 4.656) 5.084 7.594 ( -11.607 0.049 -1.720) 11.734 7.594 ( -11.607 0.049 1.720) 11.734 7.755 ( -2.657 -1.428 -2.401) 3.855 7.755 ( -2.657 -1.428 2.401) 3.855 8.069 ( -6.661 0.317 -0.545) 6.690 8.069 ( -6.661 0.317 0.545) 6.690 8.264 ( -4.627 -1.802 -0.445) 4.985 8.264 ( -4.627 -1.802 0.445) 4.985 8.339 ( -4.905 2.905 -1.499) 5.894 8.339 ( -4.905 2.905 1.499) 5.894 8.669 ( -9.997 -5.027 -8.028) 13.772 8.669 ( -9.997 -5.027 8.028) 13.772 9.338 ( 25.286 -1.664 -3.302) 25.555 9.338 ( 25.286 -1.664 3.302) 25.555 10.016 ( 18.752 1.973 -1.392) 18.907 10.016 ( 18.752 1.973 1.392) 18.907 10.280 ( 7.705 2.619 -1.350) 8.249 10.280 ( 7.705 2.619 1.350) 8.249 10.433 ( -0.992 0.530 -2.840) 3.054 10.433 ( -0.992 0.530 2.840) 3.054 10.697 ( -0.654 -0.104 -2.655) 2.736 10.697 ( -0.654 -0.104 2.655) 2.736 11.028 ( -3.747 1.937 -1.122) 4.365 11.028 ( -3.747 1.937 1.122) 4.365 11.152 ( 4.340 -1.406 -3.427) 5.706 11.152 ( 4.340 -1.406 3.427) 5.706 11.357 ( 1.693 -0.875 -2.235) 2.938 11.357 ( 1.693 -0.875 2.235) 2.938 11.734 ( -8.769 0.797 -0.910) 8.852 11.734 ( -8.769 0.797 0.910) 8.852 12.134 ( 3.739 -1.144 -2.978) 4.915 12.134 ( 3.739 -1.144 2.978) 4.915 12.353 ( -7.797 -0.247 -4.845) 9.183 12.353 ( -7.797 -0.247 4.845) 9.183 12.560 ( -1.409 2.083 -2.927) 3.859 12.560 ( -1.409 2.083 2.927) 3.859 12.904 ( -5.278 -3.072 -2.118) 6.463 12.904 ( -5.278 -3.072 2.118) 6.463 13.191 ( 0.961 4.386 -7.077) 8.381 13.191 ( 0.961 4.386 7.077) 8.381 13.411 ( -3.391 3.808 -5.839) 7.752 13.411 ( -3.391 3.808 5.839) 7.752 13.824 ( -1.344 -7.698 -5.894) 9.788 13.824 ( -1.344 -7.698 5.894) 9.788 14.098 ( 1.841 -4.744 -6.143) 7.977 14.098 ( 1.841 -4.744 6.143) 7.977 14.521 ( 6.148 2.181 -0.751) 6.566 14.521 ( 6.148 2.181 0.751) 6.566 ======================= Grid point 231 (74/84) ======================= q-point: (-0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -2.070 17.850 -24.222) 30.160 2.747 ( -2.070 17.850 24.222) 30.160 2.808 ( -5.408 21.227 -21.576) 30.747 2.808 ( -5.408 21.227 21.576) 30.747 3.744 ( 6.789 -8.090 -7.919) 13.200 3.744 ( 6.789 -8.090 7.919) 13.200 3.974 ( -7.867 1.538 -5.069) 9.485 3.974 ( -7.867 1.538 5.069) 9.485 4.364 ( 0.170 0.329 -13.422) 13.427 4.364 ( 0.170 0.329 13.422) 13.427 4.504 ( 6.821 4.737 -16.221) 18.223 4.504 ( 6.821 4.737 16.221) 18.223 4.779 ( -7.856 -3.894 -9.091) 12.630 4.779 ( -7.856 -3.894 9.091) 12.630 5.019 ( 1.973 -0.018 -7.168) 7.435 5.019 ( 1.973 -0.018 7.168) 7.435 5.226 ( 0.608 -2.514 -3.627) 4.454 5.226 ( 0.608 -2.514 3.627) 4.454 5.507 ( 4.178 -0.462 -2.757) 5.027 5.507 ( 4.178 -0.462 2.757) 5.027 5.614 ( -2.559 -7.400 -2.108) 8.109 5.614 ( -2.559 -7.400 2.108) 8.109 5.800 ( 0.909 -4.063 -4.817) 6.367 5.800 ( 0.909 -4.063 4.817) 6.367 7.459 ( -8.823 -0.248 -3.066) 9.344 7.459 ( -8.823 -0.248 3.066) 9.344 7.765 ( -1.153 -2.758 -3.165) 4.354 7.765 ( -1.153 -2.758 3.165) 4.354 8.024 ( -3.252 -1.913 -1.855) 4.204 8.024 ( -3.252 -1.913 1.855) 4.204 8.205 ( -2.345 2.644 -0.417) 3.558 8.205 ( -2.345 2.644 0.417) 3.558 8.265 ( -4.087 -0.027 -3.661) 5.487 8.265 ( -4.087 -0.027 3.661) 5.487 8.694 ( -2.666 -7.625 -8.606) 11.802 8.694 ( -2.666 -7.625 8.606) 11.802 9.609 ( 15.458 0.685 -0.268) 15.475 9.609 ( 15.458 0.685 0.268) 15.475 10.125 ( 4.852 3.970 -4.255) 7.576 10.125 ( 4.852 3.970 4.255) 7.576 10.241 ( -1.613 7.365 -6.257) 9.798 10.241 ( -1.613 7.365 6.257) 9.798 10.447 ( 15.142 2.532 -3.309) 15.704 10.447 ( 15.142 2.532 3.309) 15.704 10.827 ( -0.612 -11.009 -7.693) 13.445 10.827 ( -0.612 -11.009 7.693) 13.445 10.941 ( -5.497 -0.869 -2.439) 6.076 10.941 ( -5.497 -0.869 2.439) 6.076 11.189 ( 2.730 2.192 -2.803) 4.485 11.189 ( 2.730 2.192 2.803) 4.485 11.466 ( 5.477 -4.541 -2.842) 7.661 11.466 ( 5.477 -4.541 2.842) 7.661 11.684 ( -5.353 -6.494 -0.642) 8.440 11.684 ( -5.353 -6.494 0.642) 8.440 12.152 ( -1.721 1.095 -3.480) 4.034 12.152 ( -1.721 1.095 3.480) 4.034 12.229 ( -8.605 1.152 -5.258) 10.150 12.229 ( -8.605 1.152 5.258) 10.150 12.480 ( -2.136 5.122 -5.096) 7.534 12.480 ( -2.136 5.122 5.096) 7.534 12.817 ( -3.926 4.000 -4.849) 7.411 12.817 ( -3.926 4.000 4.849) 7.411 13.122 ( 2.907 9.857 -6.999) 12.434 13.122 ( 2.907 9.857 6.999) 12.434 13.371 ( -1.072 -2.175 -7.283) 7.676 13.371 ( -1.072 -2.175 7.283) 7.676 13.950 ( -0.387 -9.146 -9.284) 13.038 13.950 ( -0.387 -9.146 9.284) 13.038 14.174 ( 1.663 -2.060 -6.272) 6.808 14.174 ( 1.663 -2.060 6.272) 6.808 14.560 ( 4.060 1.121 -3.678) 5.592 14.560 ( 4.060 1.121 3.678) 5.592 ======================= Grid point 233 (75/84) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.000 18.917 -26.292) 32.390 2.455 ( 0.000 18.917 26.292) 32.390 2.487 ( 0.000 13.887 -29.541) 32.642 2.487 ( 0.000 13.887 29.541) 32.642 3.815 ( 0.000 9.347 -26.927) 28.503 3.815 ( 0.000 9.347 26.927) 28.503 3.906 ( -0.000 -5.811 -9.885) 11.467 3.906 ( -0.000 -5.811 9.885) 11.467 4.261 ( 0.000 2.960 -7.314) 7.890 4.261 ( 0.000 2.960 7.314) 7.890 4.589 ( 0.000 0.272 -11.664) 11.667 4.589 ( 0.000 0.272 11.664) 11.667 4.782 ( -0.000 -2.390 -18.917) 19.068 4.782 ( -0.000 -2.390 18.917) 19.068 4.994 ( 0.000 2.236 -9.297) 9.562 4.994 ( 0.000 2.236 9.297) 9.562 5.325 ( -0.000 -7.547 -8.929) 11.691 5.325 ( -0.000 -7.547 8.929) 11.691 5.560 ( -0.000 -1.047 -5.316) 5.418 5.560 ( -0.000 -1.047 5.316) 5.418 5.684 ( -0.000 -5.593 -6.677) 8.710 5.684 ( -0.000 -5.593 6.677) 8.710 5.879 ( -0.000 -5.108 -5.272) 7.341 5.879 ( -0.000 -5.108 5.272) 7.341 7.408 ( -0.000 -0.525 -3.963) 3.998 7.408 ( -0.000 -0.525 3.963) 3.998 7.804 ( -0.000 -2.827 -3.292) 4.339 7.804 ( -0.000 -2.827 3.292) 4.339 8.036 ( -0.000 -1.756 -1.986) 2.651 8.036 ( -0.000 -1.756 1.986) 2.651 8.153 ( 0.000 1.797 -0.487) 1.862 8.153 ( 0.000 1.797 0.487) 1.862 8.236 ( 0.000 0.170 -5.844) 5.846 8.236 ( 0.000 0.170 5.844) 5.846 8.810 ( -0.000 -8.815 -10.649) 13.824 8.810 ( -0.000 -8.815 10.649) 13.824 9.673 ( 0.000 2.843 -2.483) 3.775 9.673 ( 0.000 2.843 2.483) 3.775 10.001 ( 0.000 10.738 -3.226) 11.212 10.001 ( 0.000 10.738 3.226) 11.212 10.236 ( -0.000 -4.220 -5.446) 6.889 10.236 ( -0.000 -4.220 5.446) 6.889 10.517 ( 0.000 3.483 -4.500) 5.691 10.517 ( 0.000 3.483 4.500) 5.691 10.913 ( -0.000 -5.499 -5.198) 7.567 10.913 ( -0.000 -5.499 5.198) 7.567 11.032 ( -0.000 -9.578 -9.609) 13.568 11.032 ( -0.000 -9.578 9.609) 13.568 11.166 ( 0.000 2.812 -3.493) 4.485 11.166 ( 0.000 2.812 3.493) 4.485 11.546 ( -0.000 -2.180 -1.222) 2.499 11.546 ( -0.000 -2.180 1.222) 2.499 11.806 ( -0.000 -12.087 -6.265) 13.614 11.806 ( -0.000 -12.087 6.265) 13.614 12.088 ( 0.000 1.280 -4.425) 4.607 12.088 ( 0.000 1.280 4.425) 4.607 12.174 ( 0.000 0.568 -3.973) 4.013 12.174 ( 0.000 0.568 3.973) 4.013 12.371 ( 0.000 6.451 -5.899) 8.742 12.371 ( 0.000 6.451 5.899) 8.742 12.696 ( 0.000 9.315 -7.153) 11.744 12.696 ( 0.000 9.315 7.153) 11.744 12.976 ( 0.000 10.590 -5.743) 12.047 12.976 ( 0.000 10.590 5.743) 12.047 13.401 ( -0.000 -1.472 -5.276) 5.478 13.401 ( -0.000 -1.472 5.276) 5.478 14.072 ( -0.000 -6.513 -10.892) 12.691 14.072 ( -0.000 -6.513 10.892) 12.691 14.207 ( -0.000 -1.141 -5.916) 6.025 14.207 ( -0.000 -1.141 5.916) 6.025 14.579 ( -0.000 -0.158 -5.228) 5.230 14.579 ( -0.000 -0.158 5.228) 5.230 ======================= Grid point 239 (76/84) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 16.446 -0.000 -11.006) 19.789 2.599 ( 16.446 -0.000 11.006) 19.789 2.659 ( 15.873 -0.000 -10.470) 19.015 2.659 ( 15.873 -0.000 10.470) 19.015 4.031 ( 0.191 -0.000 -7.793) 7.795 4.031 ( 0.191 -0.000 7.793) 7.795 4.184 ( -1.727 0.000 -2.781) 3.273 4.184 ( -1.727 0.000 2.781) 3.273 4.266 ( 10.671 -0.000 -21.042) 23.593 4.266 ( 10.671 -0.000 21.042) 23.593 4.538 ( 0.445 -0.000 -5.441) 5.459 4.538 ( 0.445 -0.000 5.441) 5.459 4.641 ( -3.068 0.000 -0.460) 3.102 4.641 ( -3.068 0.000 0.460) 3.102 4.792 ( -8.339 0.000 -1.552) 8.482 4.792 ( -8.339 0.000 1.552) 8.482 4.932 ( -7.562 0.000 -1.841) 7.782 4.932 ( -7.562 0.000 1.841) 7.782 5.651 ( 0.542 -0.000 -1.018) 1.153 5.651 ( 0.542 -0.000 1.018) 1.153 5.882 ( -1.955 0.000 -2.618) 3.268 5.882 ( -1.955 0.000 2.618) 3.268 5.955 ( -0.533 0.000 -1.361) 1.461 5.955 ( -0.533 0.000 1.361) 1.461 7.779 ( -1.494 0.000 -1.257) 1.953 7.779 ( -1.494 0.000 1.257) 1.953 7.839 ( -1.755 0.000 -1.953) 2.626 7.839 ( -1.755 0.000 1.953) 2.626 8.137 ( 0.316 -0.000 -2.041) 2.065 8.137 ( 0.316 -0.000 2.041) 2.065 8.442 ( 8.816 -0.000 -3.913) 9.645 8.442 ( 8.816 -0.000 3.913) 9.645 8.574 ( 14.007 -0.000 -1.378) 14.074 8.574 ( 14.007 -0.000 1.378) 14.074 8.801 ( -14.776 0.000 -2.403) 14.970 8.801 ( -14.776 0.000 2.403) 14.970 8.960 ( -35.379 0.000 -2.432) 35.462 8.960 ( -35.379 0.000 2.432) 35.462 9.654 ( 18.480 -0.000 -13.836) 23.085 9.654 ( 18.480 -0.000 13.836) 23.085 9.821 ( 6.047 -0.000 -0.268) 6.053 9.821 ( 6.047 -0.000 0.268) 6.053 10.440 ( 1.603 -0.000 -2.944) 3.352 10.440 ( 1.603 -0.000 2.944) 3.352 10.849 ( 1.133 -0.000 -4.306) 4.452 10.849 ( 1.133 -0.000 4.306) 4.452 11.043 ( -5.031 0.000 -0.987) 5.127 11.043 ( -5.031 0.000 0.987) 5.127 11.653 ( 8.448 -0.000 -2.770) 8.890 11.653 ( 8.448 -0.000 2.770) 8.890 11.757 ( -1.250 0.000 -1.639) 2.061 11.757 ( -1.250 0.000 1.639) 2.061 11.875 ( -1.244 0.000 -8.442) 8.534 11.875 ( -1.244 0.000 8.442) 8.534 11.897 ( -4.030 0.000 -0.950) 4.140 11.897 ( -4.030 0.000 0.950) 4.140 12.284 ( -3.994 0.000 -9.294) 10.116 12.284 ( -3.994 0.000 9.294) 10.116 12.446 ( -3.915 0.000 -2.958) 4.907 12.446 ( -3.915 0.000 2.958) 4.907 12.458 ( 5.405 -0.000 -7.254) 9.046 12.458 ( 5.405 -0.000 7.254) 9.046 13.191 ( 4.569 -0.000 -1.272) 4.743 13.191 ( 4.569 -0.000 1.272) 4.743 13.418 ( 10.422 -0.000 -1.768) 10.570 13.418 ( 10.422 -0.000 1.768) 10.570 13.938 ( -6.461 0.000 -11.917) 13.556 13.938 ( -6.461 0.000 11.917) 13.556 14.062 ( -15.441 0.000 -6.787) 16.867 14.062 ( -15.441 0.000 6.787) 16.867 14.440 ( 4.653 -0.000 -10.385) 11.380 14.440 ( 4.653 -0.000 10.385) 11.380 ======================= Grid point 241 (77/84) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 16.690 -3.685 -15.004) 22.743 2.836 ( 16.690 -3.685 15.004) 22.743 2.963 ( 19.025 -10.484 -11.902) 24.769 2.963 ( 19.025 -10.484 11.902) 24.769 3.952 ( -1.428 9.140 -7.018) 11.612 3.952 ( -1.428 9.140 7.018) 11.612 4.073 ( -6.181 7.009 -2.404) 9.649 4.073 ( -6.181 7.009 2.404) 9.649 4.312 ( -6.507 0.751 -3.141) 7.265 4.312 ( -6.507 0.751 3.141) 7.265 4.507 ( -13.315 -2.638 -2.116) 13.738 4.507 ( -13.315 -2.638 2.116) 13.738 4.610 ( 4.095 -0.355 -1.956) 4.552 4.610 ( 4.095 -0.355 1.956) 4.552 4.812 ( 9.818 -5.985 -16.385) 20.017 4.812 ( 9.818 -5.985 16.385) 20.017 4.997 ( -0.667 -10.351 -4.842) 11.447 4.997 ( -0.667 -10.351 4.842) 11.447 5.595 ( -0.665 7.376 -2.792) 7.915 5.595 ( -0.665 7.376 2.792) 7.915 5.812 ( -4.590 3.398 -4.632) 7.354 5.812 ( -4.590 3.398 4.632) 7.354 5.922 ( -0.190 3.460 -0.619) 3.520 5.922 ( -0.190 3.460 0.619) 3.520 7.728 ( -6.053 0.385 -0.103) 6.066 7.728 ( -6.053 0.385 0.103) 6.066 7.806 ( -2.483 0.982 -2.311) 3.532 7.806 ( -2.483 0.982 2.311) 3.532 8.132 ( -3.726 -1.169 -1.201) 4.085 8.132 ( -3.726 -1.169 1.201) 4.085 8.370 ( -12.751 2.578 -1.390) 13.083 8.370 ( -12.751 2.578 1.390) 13.083 8.568 ( -12.086 1.604 -2.800) 12.509 8.568 ( -12.086 1.604 2.800) 12.509 8.662 ( -14.122 -2.990 -4.092) 15.004 8.662 ( -14.122 -2.990 4.092) 15.004 8.924 ( 27.773 -0.710 -4.232) 28.102 8.924 ( 27.773 -0.710 4.232) 28.102 9.843 ( 9.825 -3.268 -4.618) 11.337 9.843 ( 9.825 -3.268 4.618) 11.337 9.963 ( 11.439 -2.258 -2.580) 11.942 9.963 ( 11.439 -2.258 2.580) 11.942 10.418 ( 2.853 5.708 -2.480) 6.846 10.418 ( 2.853 5.708 2.480) 6.846 10.849 ( -3.797 -2.716 -3.980) 6.134 10.849 ( -3.797 -2.716 3.980) 6.134 11.018 ( 1.231 -0.077 -2.088) 2.425 11.018 ( 1.231 -0.077 2.088) 2.425 11.516 ( 0.620 16.010 -2.355) 16.194 11.516 ( 0.620 16.010 2.355) 16.194 11.753 ( 1.005 5.939 -6.475) 8.843 11.753 ( 1.005 5.939 6.475) 8.843 11.851 ( -2.365 -0.700 -2.530) 3.533 11.851 ( -2.365 -0.700 2.530) 3.533 11.966 ( -1.113 -5.469 -0.661) 5.620 11.966 ( -1.113 -5.469 0.661) 5.620 12.276 ( -3.240 -5.448 -8.062) 10.256 12.276 ( -3.240 -5.448 8.062) 10.256 12.402 ( 1.984 -2.651 -0.869) 3.423 12.402 ( 1.984 -2.651 0.869) 3.423 12.593 ( 2.840 -5.220 -7.404) 9.494 12.593 ( 2.840 -5.220 7.404) 9.494 13.210 ( -4.401 -3.846 -1.643) 6.071 13.210 ( -4.401 -3.846 1.643) 6.071 13.552 ( 7.704 1.964 -1.906) 8.176 13.552 ( 7.704 1.964 1.906) 8.176 13.810 ( -14.934 -1.530 -5.329) 15.930 13.810 ( -14.934 -1.530 5.329) 15.930 13.923 ( -2.219 1.277 -9.557) 9.894 13.923 ( -2.219 1.277 9.557) 9.894 14.502 ( 5.180 0.042 -8.617) 10.055 14.502 ( 5.180 0.042 8.617) 10.055 ======================= Grid point 243 (78/84) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 15.788 -5.620 -10.997) 20.045 3.115 ( 15.788 -5.620 10.997) 20.045 3.400 ( 18.468 -13.595 -7.355) 24.083 3.400 ( 18.468 -13.595 7.355) 24.083 3.726 ( -2.171 16.264 -6.916) 17.806 3.726 ( -2.171 16.264 6.916) 17.806 3.845 ( -6.029 10.494 -8.856) 14.997 3.845 ( -6.029 10.494 8.856) 14.997 4.148 ( -13.495 2.445 -4.951) 14.581 4.148 ( -13.495 2.445 4.951) 14.581 4.390 ( -16.487 -9.667 -2.332) 19.254 4.390 ( -16.487 -9.667 2.332) 19.254 4.771 ( 8.745 -6.233 -1.272) 10.814 4.771 ( 8.745 -6.233 1.272) 10.814 5.066 ( 10.380 -7.552 -13.272) 18.464 5.066 ( 10.380 -7.552 13.272) 18.464 5.148 ( 0.263 -8.544 -3.494) 9.235 5.148 ( 0.263 -8.544 3.494) 9.235 5.409 ( -2.317 13.692 -7.478) 15.772 5.409 ( -2.317 13.692 7.478) 15.772 5.682 ( -5.802 4.511 -5.901) 9.425 5.682 ( -5.802 4.511 5.901) 9.425 5.855 ( 0.915 5.239 -1.546) 5.538 5.855 ( 0.915 5.239 1.546) 5.538 7.617 ( -9.668 1.284 -0.740) 9.781 7.617 ( -9.668 1.284 0.740) 9.781 7.755 ( -2.446 1.182 -2.842) 3.931 7.755 ( -2.446 1.182 2.842) 3.931 8.031 ( -15.034 -2.649 -1.594) 15.349 8.031 ( -15.034 -2.649 1.594) 15.349 8.245 ( -0.367 1.439 -0.247) 1.506 8.245 ( -0.367 1.439 0.247) 1.506 8.439 ( -6.140 2.007 -1.793) 6.704 8.439 ( -6.140 2.007 1.793) 6.704 8.571 ( -7.181 -1.776 -4.137) 8.476 8.571 ( -7.181 -1.776 4.137) 8.476 9.296 ( 28.826 -0.792 -4.650) 29.209 9.296 ( 28.826 -0.792 4.650) 29.209 10.011 ( 5.733 -4.825 -4.423) 8.702 10.011 ( 5.733 -4.825 4.423) 8.702 10.125 ( 2.847 -6.582 -1.646) 7.358 10.125 ( 2.847 -6.582 1.646) 7.358 10.389 ( 8.526 4.742 -2.802) 10.150 10.389 ( 8.526 4.742 2.802) 10.150 10.839 ( -7.012 -3.682 -3.837) 8.801 10.839 ( -7.012 -3.682 3.837) 8.801 11.072 ( 6.624 0.206 -4.026) 7.754 11.072 ( 6.624 0.206 4.026) 7.754 11.274 ( 0.988 15.176 -3.125) 15.526 11.274 ( 0.988 15.176 3.125) 15.526 11.594 ( -0.532 11.830 -7.032) 13.772 11.594 ( -0.532 11.830 7.032) 13.772 11.785 ( -7.885 1.504 -0.489) 8.043 11.785 ( -7.885 1.504 0.489) 8.043 12.049 ( 3.669 -3.895 -2.568) 5.935 12.049 ( 3.669 -3.895 2.568) 5.935 12.306 ( -4.059 -2.990 -4.767) 6.938 12.306 ( -4.059 -2.990 4.767) 6.938 12.539 ( 3.347 -5.562 -4.713) 8.022 12.539 ( 3.347 -5.562 4.713) 8.022 12.707 ( 3.826 -5.789 -2.472) 7.366 12.707 ( 3.826 -5.789 2.472) 7.366 13.185 ( -9.223 -2.369 -2.495) 9.844 13.185 ( -9.223 -2.369 2.495) 9.844 13.511 ( -8.545 -3.432 -2.534) 9.551 13.511 ( -8.545 -3.432 2.534) 9.551 13.692 ( -3.879 3.332 -2.055) 5.511 13.692 ( -3.879 3.332 2.055) 5.511 13.968 ( 5.106 -2.978 -8.891) 10.677 13.968 ( 5.106 -2.978 8.891) 10.677 14.561 ( 4.554 0.249 -5.406) 7.073 14.561 ( 4.554 0.249 5.406) 7.073 ======================= Grid point 245 (79/84) ======================= q-point: (-0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 5.479 10.327 -7.178) 13.718 3.290 ( 5.479 10.327 7.178) 13.718 3.427 ( -3.129 16.736 -11.390) 20.484 3.427 ( -3.129 16.736 11.390) 20.484 3.559 ( 6.615 2.756 -10.299) 12.546 3.559 ( 6.615 2.756 10.299) 12.546 3.923 ( 0.577 -4.728 -1.917) 5.135 3.923 ( 0.577 -4.728 1.917) 5.135 3.996 ( 1.672 -12.209 -2.774) 12.631 3.996 ( 1.672 -12.209 2.774) 12.631 4.382 ( -15.664 -13.793 -1.848) 20.953 4.382 ( -15.664 -13.793 1.848) 20.953 4.958 ( 6.922 -2.600 -2.466) 7.795 4.958 ( 6.922 -2.600 2.466) 7.795 5.101 ( -0.170 15.835 -11.932) 19.828 5.101 ( -0.170 15.835 11.932) 19.828 5.220 ( -1.161 -1.756 -4.098) 4.607 5.220 ( -1.161 -1.756 4.098) 4.607 5.327 ( 3.381 -7.981 -6.605) 10.898 5.327 ( 3.381 -7.981 6.605) 10.898 5.557 ( -4.128 2.384 -5.807) 7.513 5.557 ( -4.128 2.384 5.807) 7.513 5.797 ( 1.385 3.920 -4.257) 5.950 5.797 ( 1.385 3.920 4.257) 5.950 7.476 ( -8.074 1.482 -0.925) 8.261 7.476 ( -8.074 1.482 0.925) 8.261 7.720 ( -1.382 0.115 -2.667) 3.006 7.720 ( -1.382 0.115 2.667) 3.006 7.934 ( -7.942 -3.740 -2.372) 9.093 7.934 ( -7.942 -3.740 2.372) 9.093 8.244 ( 1.659 0.875 -0.857) 2.062 8.244 ( 1.659 0.875 0.857) 2.062 8.338 ( -3.751 3.249 -0.891) 5.042 8.338 ( -3.751 3.249 0.891) 5.042 8.541 ( -2.852 -2.615 -4.269) 5.761 8.541 ( -2.852 -2.615 4.269) 5.761 9.624 ( 21.695 0.395 -2.983) 21.902 9.624 ( 21.695 0.395 2.983) 21.902 10.076 ( -2.670 -2.406 -4.337) 5.633 10.076 ( -2.670 -2.406 4.337) 5.633 10.266 ( -1.541 -11.066 -4.618) 12.090 10.266 ( -1.541 -11.066 4.618) 12.090 10.507 ( 13.918 0.304 -4.817) 14.731 10.507 ( 13.918 0.304 4.817) 14.731 10.760 ( -6.849 2.492 -4.214) 8.419 10.760 ( -6.849 2.492 4.214) 8.419 10.997 ( -2.888 10.918 -4.620) 12.202 10.997 ( -2.888 10.918 4.620) 12.202 11.257 ( 8.902 -2.483 -5.148) 10.579 11.257 ( 8.902 -2.483 5.148) 10.579 11.444 ( 3.059 8.221 -2.787) 9.204 11.444 ( 3.059 8.221 2.787) 9.204 11.647 ( -8.311 2.267 -0.413) 8.624 11.647 ( -8.311 2.267 0.413) 8.624 12.138 ( 1.706 -1.888 -4.259) 4.961 12.138 ( 1.706 -1.888 4.259) 4.961 12.264 ( -4.983 0.640 -5.041) 7.117 12.264 ( -4.983 0.640 5.041) 7.117 12.594 ( 1.864 1.500 -8.559) 8.887 12.594 ( 1.864 1.500 8.559) 8.887 12.809 ( -2.970 -3.229 -3.451) 5.582 12.809 ( -2.970 -3.229 3.451) 5.582 13.124 ( -3.884 -4.763 -5.282) 8.104 13.124 ( -3.884 -4.763 5.282) 8.104 13.530 ( 1.792 2.012 -4.704) 5.421 13.530 ( 1.792 2.012 4.704) 5.421 13.606 ( -6.589 -6.154 -2.248) 9.292 13.606 ( -6.589 -6.154 2.248) 9.292 14.079 ( 3.410 -3.643 -7.638) 9.123 14.079 ( 3.410 -3.643 7.638) 9.123 14.601 ( 2.973 0.779 -1.689) 3.507 14.601 ( 2.973 0.779 1.689) 3.507 ======================= Grid point 247 (80/84) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 0.000 19.777 -18.894) 27.351 3.030 ( 0.000 19.777 18.894) 27.351 3.106 ( 0.000 21.075 -19.221) 28.524 3.106 ( 0.000 21.075 19.221) 28.524 3.704 ( -0.000 -6.229 -7.608) 9.833 3.704 ( -0.000 -6.229 7.608) 9.833 3.874 ( -0.000 -3.269 -3.865) 5.062 3.874 ( -0.000 -3.269 3.865) 5.062 4.358 ( -0.000 -7.066 -11.001) 13.075 4.358 ( -0.000 -7.066 11.001) 13.075 4.451 ( -0.000 -18.425 -7.899) 20.047 4.451 ( -0.000 -18.425 7.899) 20.047 4.774 ( 0.000 18.052 -16.420) 24.402 4.774 ( 0.000 18.052 16.420) 24.402 5.067 ( 0.000 0.698 -5.283) 5.329 5.067 ( 0.000 0.698 5.283) 5.329 5.210 ( 0.000 0.383 -4.261) 4.278 5.210 ( 0.000 0.383 4.261) 4.278 5.470 ( -0.000 -8.152 -1.584) 8.304 5.470 ( -0.000 -8.152 1.584) 8.304 5.528 ( -0.000 -0.710 -4.913) 4.964 5.528 ( -0.000 -0.710 4.913) 4.964 5.774 ( 0.000 0.037 -5.315) 5.316 5.774 ( 0.000 0.037 5.315) 5.316 7.405 ( 0.000 0.628 -2.009) 2.105 7.405 ( 0.000 0.628 2.009) 2.105 7.722 ( -0.000 -1.593 -2.714) 3.147 7.722 ( -0.000 -1.593 2.714) 3.147 7.946 ( -0.000 -3.804 -2.772) 4.707 7.946 ( -0.000 -3.804 2.772) 4.707 8.248 ( 0.000 0.672 -2.518) 2.606 8.248 ( 0.000 0.672 2.518) 2.606 8.251 ( 0.000 3.939 -0.395) 3.959 8.251 ( 0.000 3.939 0.395) 3.959 8.583 ( -0.000 -4.973 -5.548) 7.451 8.583 ( -0.000 -4.973 5.548) 7.451 9.744 ( 0.000 2.432 -0.054) 2.433 9.744 ( 0.000 2.432 0.054) 2.433 10.111 ( -0.000 -4.680 -6.222) 7.786 10.111 ( -0.000 -4.680 6.222) 7.786 10.361 ( 0.000 1.841 -6.723) 6.970 10.361 ( 0.000 1.841 6.723) 6.970 10.572 ( 0.000 3.024 -5.681) 6.436 10.572 ( 0.000 3.024 5.681) 6.436 10.740 ( -0.000 -5.342 -6.073) 8.088 10.740 ( -0.000 -5.342 6.073) 8.088 10.827 ( 0.000 3.015 -6.152) 6.851 10.827 ( 0.000 3.015 6.152) 6.851 11.304 ( 0.000 5.355 -5.355) 7.573 11.304 ( 0.000 5.355 5.355) 7.573 11.488 ( -0.000 -6.849 -2.753) 7.382 11.488 ( -0.000 -6.849 2.753) 7.382 11.538 ( 0.000 1.716 -0.837) 1.909 11.538 ( 0.000 1.716 0.837) 1.909 12.131 ( 0.000 1.243 -5.464) 5.604 12.131 ( 0.000 1.243 5.464) 5.604 12.214 ( 0.000 1.512 -4.493) 4.741 12.214 ( 0.000 1.512 4.493) 4.741 12.553 ( 0.000 4.718 -8.942) 10.110 12.553 ( 0.000 4.718 8.942) 10.110 12.805 ( -0.000 -0.992 -1.953) 2.190 12.805 ( -0.000 -0.992 1.953) 2.190 13.194 ( -0.000 -3.688 -9.948) 10.610 13.194 ( -0.000 -3.688 9.948) 10.610 13.413 ( 0.000 8.927 -4.895) 10.181 13.413 ( 0.000 8.927 4.895) 10.181 13.763 ( -0.000 -13.375 -8.873) 16.050 13.763 ( -0.000 -13.375 8.873) 16.050 14.151 ( -0.000 -2.893 -7.389) 7.935 14.151 ( -0.000 -2.893 7.389) 7.935 14.605 ( 0.000 1.336 -1.520) 2.024 14.605 ( 0.000 1.336 1.520) 2.024 ======================= Grid point 257 (81/84) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 19.019 -0.000 -4.581) 19.563 3.045 ( 19.019 -0.000 4.581) 19.563 3.112 ( 20.123 -0.000 -1.737) 20.198 3.112 ( 20.123 -0.000 1.737) 20.198 3.913 ( -10.925 0.000 -3.351) 11.427 3.913 ( -10.925 0.000 3.351) 11.427 4.127 ( -5.130 0.000 -3.183) 6.037 4.127 ( -5.130 0.000 3.183) 6.037 4.227 ( -8.735 0.000 -0.007) 8.735 4.227 ( -8.735 0.000 0.007) 8.735 4.315 ( -9.500 0.000 -6.174) 11.330 4.315 ( -9.500 0.000 6.174) 11.330 4.666 ( 1.020 -0.000 -2.171) 2.399 4.666 ( 1.020 -0.000 2.171) 2.399 4.752 ( -1.068 0.000 -2.812) 3.008 4.752 ( -1.068 0.000 2.812) 3.008 5.047 ( 16.383 -0.000 -20.850) 26.516 5.047 ( 16.383 -0.000 20.850) 26.516 5.647 ( -0.908 0.000 -1.692) 1.920 5.647 ( -0.908 0.000 1.692) 1.920 5.758 ( -7.802 0.000 -7.948) 11.137 5.758 ( -7.802 0.000 7.948) 11.137 5.946 ( -0.122 0.000 -0.282) 0.307 5.946 ( -0.122 0.000 0.282) 0.307 7.645 ( -7.296 0.000 -0.994) 7.364 7.645 ( -7.296 0.000 0.994) 7.364 7.784 ( -2.856 0.000 -2.458) 3.768 7.784 ( -2.856 0.000 2.458) 3.768 7.979 ( -16.436 0.000 -1.318) 16.489 7.979 ( -16.436 0.000 1.318) 16.489 8.280 ( -2.475 0.000 -0.886) 2.629 8.280 ( -2.475 0.000 0.886) 2.629 8.460 ( -6.608 0.000 -2.468) 7.054 8.460 ( -6.608 0.000 2.468) 7.054 8.545 ( -4.842 0.000 -2.681) 5.535 8.545 ( -4.842 0.000 2.681) 5.535 9.288 ( 29.805 -0.000 -3.435) 30.003 9.288 ( 29.805 -0.000 3.435) 30.003 9.867 ( 3.775 -0.000 -1.245) 3.975 9.867 ( 3.775 -0.000 1.245) 3.975 10.068 ( 4.281 -0.000 -0.987) 4.393 10.068 ( 4.281 -0.000 0.987) 4.393 10.518 ( 3.637 -0.000 -4.126) 5.500 10.518 ( 3.637 -0.000 4.126) 5.500 10.725 ( -8.745 0.000 -5.550) 10.358 10.725 ( -8.745 0.000 5.550) 10.358 11.077 ( 5.664 -0.000 -1.256) 5.802 11.077 ( 5.664 -0.000 1.256) 5.802 11.629 ( -6.251 0.000 -1.543) 6.439 11.629 ( -6.251 0.000 1.543) 6.439 11.818 ( 2.212 -0.000 -1.792) 2.847 11.818 ( 2.212 -0.000 1.792) 2.847 11.872 ( 2.265 -0.000 -1.542) 2.740 11.872 ( 2.265 -0.000 1.542) 2.740 11.911 ( 4.696 -0.000 -0.003) 4.696 11.911 ( 4.696 -0.000 0.003) 4.696 12.214 ( -2.580 0.000 -5.086) 5.703 12.214 ( -2.580 0.000 5.086) 5.703 12.367 ( 2.279 -0.000 -1.220) 2.585 12.367 ( 2.279 -0.000 1.220) 2.585 12.618 ( 5.728 -0.000 -2.547) 6.269 12.618 ( 5.728 -0.000 2.547) 6.269 13.122 ( -4.711 0.000 -1.719) 5.015 13.122 ( -4.711 0.000 1.719) 5.015 13.450 ( -22.849 0.000 -4.231) 23.238 13.450 ( -22.849 0.000 4.231) 23.238 13.767 ( 6.790 -0.000 -1.543) 6.964 13.767 ( 6.790 -0.000 1.543) 6.964 13.925 ( 0.786 -0.000 -11.213) 11.241 13.925 ( 0.786 -0.000 11.213) 11.241 14.558 ( 3.953 -0.000 -8.427) 9.308 14.558 ( 3.953 -0.000 8.427) 9.308 ======================= Grid point 259 (82/84) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 17.776 -1.147 -6.662) 19.018 3.278 ( 17.776 -1.147 6.662) 19.018 3.450 ( 19.402 -9.717 -4.809) 22.226 3.450 ( 19.402 -9.717 4.809) 22.226 3.744 ( -14.167 1.552 -1.977) 14.388 3.744 ( -14.167 1.552 1.977) 14.388 3.974 ( -9.136 2.642 -4.094) 10.354 3.974 ( -9.136 2.642 4.094) 10.354 4.072 ( -9.123 5.468 -4.360) 11.495 4.072 ( -9.123 5.468 4.360) 11.495 4.161 ( -4.902 10.331 -9.536) 14.889 4.161 ( -4.902 10.331 9.536) 14.889 4.742 ( 5.181 -7.850 -1.657) 9.551 4.742 ( 5.181 -7.850 1.657) 9.551 4.865 ( -3.913 -13.086 -2.743) 13.931 4.865 ( -3.913 -13.086 2.743) 13.931 5.256 ( 15.262 -0.064 -18.946) 24.329 5.256 ( 15.262 -0.064 18.946) 24.329 5.559 ( -3.600 7.465 -5.008) 9.683 5.559 ( -3.600 7.465 5.008) 9.683 5.639 ( -7.299 2.731 -6.816) 10.353 5.639 ( -7.299 2.731 6.816) 10.353 5.925 ( 0.245 2.657 -1.303) 2.969 5.925 ( 0.245 2.657 1.303) 2.969 7.543 ( -6.164 2.289 -1.317) 6.706 7.543 ( -6.164 2.289 1.317) 6.706 7.737 ( -3.708 -0.349 -2.400) 4.431 7.737 ( -3.708 -0.349 2.400) 4.431 7.837 ( -7.475 -1.346 -1.197) 7.688 7.837 ( -7.475 -1.346 1.197) 7.688 8.274 ( 1.229 0.669 -1.191) 1.837 8.274 ( 1.229 0.669 1.191) 1.837 8.398 ( -3.130 0.606 -1.367) 3.469 8.398 ( -3.130 0.606 1.367) 3.469 8.502 ( -2.652 -0.344 -2.068) 3.380 8.502 ( -2.652 -0.344 2.068) 3.380 9.633 ( 25.394 0.173 -3.500) 25.635 9.633 ( 25.394 0.173 3.500) 25.635 9.946 ( 1.577 -5.217 -2.556) 6.020 9.946 ( 1.577 -5.217 2.556) 6.020 10.063 ( -6.258 -0.853 -2.532) 6.804 10.063 ( -6.258 -0.853 2.532) 6.804 10.513 ( 1.395 0.746 -5.696) 5.911 10.513 ( 1.395 0.746 5.696) 5.911 10.685 ( -4.531 -3.405 -5.791) 8.104 10.685 ( -4.531 -3.405 5.791) 8.104 11.147 ( 4.726 -1.472 -3.215) 5.903 11.147 ( 4.726 -1.472 3.215) 5.903 11.485 ( -2.783 10.246 -1.565) 10.732 11.485 ( -2.783 10.246 1.565) 10.732 11.726 ( -0.503 7.885 -2.113) 8.178 11.726 ( -0.503 7.885 2.113) 8.178 11.812 ( -1.055 9.437 -3.801) 10.228 11.812 ( -1.055 9.437 3.801) 10.228 12.050 ( 6.562 -4.707 -3.043) 8.630 12.050 ( 6.562 -4.707 3.043) 8.630 12.210 ( -3.785 -4.266 -1.475) 5.891 12.210 ( -3.785 -4.266 1.475) 5.891 12.522 ( 10.408 -5.421 -5.243) 12.853 12.522 ( 10.408 -5.421 5.243) 12.853 12.692 ( 2.809 -2.277 -2.015) 4.139 12.692 ( 2.809 -2.277 2.015) 4.139 13.062 ( -7.944 0.473 -1.422) 8.084 13.062 ( -7.944 0.473 1.422) 8.084 13.215 ( -16.795 -7.562 -2.083) 18.536 13.215 ( -16.795 -7.562 2.083) 18.536 13.787 ( 2.255 4.919 -4.935) 7.324 13.787 ( 2.255 4.919 4.935) 7.324 13.974 ( 2.807 -2.917 -8.122) 9.075 13.974 ( 2.807 -2.917 8.122) 9.075 14.600 ( 2.246 -0.402 -6.852) 7.222 14.600 ( 2.246 -0.402 6.852) 7.222 ======================= Grid point 261 (83/84) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 0.000 0.232 -2.571) 2.582 3.459 ( 0.000 0.232 2.571) 2.582 3.565 ( 0.000 4.771 -6.690) 8.217 3.565 ( 0.000 4.771 6.690) 8.217 3.710 ( 0.000 7.806 -9.846) 12.564 3.710 ( 0.000 7.806 9.846) 12.564 3.899 ( -0.000 -8.127 -4.833) 9.455 3.899 ( -0.000 -8.127 4.833) 9.455 3.900 ( 0.000 6.299 -9.245) 11.187 3.900 ( 0.000 6.299 9.245) 11.187 4.035 ( -0.000 -7.385 -3.060) 7.993 4.035 ( -0.000 -7.385 3.060) 7.994 4.923 ( -0.000 -7.754 -3.471) 8.495 4.923 ( -0.000 -7.754 3.471) 8.495 5.036 ( -0.000 -13.163 -3.487) 13.617 5.036 ( -0.000 -13.163 3.487) 13.617 5.358 ( 0.000 14.037 -9.381) 16.884 5.358 ( 0.000 14.037 9.381) 16.884 5.367 ( 0.000 1.936 -16.753) 16.865 5.367 ( 0.000 1.936 16.753) 16.865 5.533 ( 0.000 1.612 -8.133) 8.291 5.533 ( 0.000 1.612 8.133) 8.291 5.872 ( 0.000 4.344 -3.011) 5.286 5.872 ( 0.000 4.344 3.011) 5.286 7.458 ( 0.000 2.713 -0.944) 2.873 7.458 ( 0.000 2.713 0.944) 2.873 7.719 ( 0.000 0.459 -2.430) 2.473 7.719 ( 0.000 0.459 2.430) 2.473 7.824 ( -0.000 -3.291 -1.753) 3.728 7.824 ( -0.000 -3.291 1.753) 3.728 8.275 ( 0.000 0.785 -1.219) 1.450 8.275 ( 0.000 0.785 1.219) 1.450 8.355 ( 0.000 2.263 -0.707) 2.371 8.355 ( 0.000 2.263 0.707) 2.371 8.496 ( -0.000 -1.144 -2.526) 2.773 8.496 ( -0.000 -1.144 2.526) 2.773 9.840 ( 0.000 3.430 -1.501) 3.744 9.840 ( 0.000 3.430 1.501) 3.744 9.959 ( -0.000 -4.162 -5.137) 6.612 9.959 ( -0.000 -4.162 5.137) 6.612 10.091 ( -0.000 -9.461 -5.595) 10.991 10.091 ( -0.000 -9.461 5.595) 10.991 10.581 ( -0.000 -4.945 -6.742) 8.361 10.581 ( -0.000 -4.945 6.742) 8.361 10.670 ( -0.000 -0.095 -7.192) 7.192 10.670 ( -0.000 -0.095 7.192) 7.192 11.239 ( -0.000 -4.978 -4.745) 6.877 11.239 ( -0.000 -4.978 4.745) 6.877 11.245 ( 0.000 17.539 -3.177) 17.825 11.245 ( 0.000 17.539 3.177) 17.825 11.629 ( 0.000 4.104 -1.720) 4.449 11.629 ( 0.000 4.104 1.720) 4.449 11.633 ( 0.000 11.054 -4.629) 11.984 11.633 ( 0.000 11.054 4.629) 11.984 12.148 ( -0.000 -0.766 -4.914) 4.973 12.148 ( -0.000 -0.766 4.914) 4.973 12.224 ( -0.000 -1.885 -2.716) 3.306 12.224 ( -0.000 -1.885 2.716) 3.306 12.637 ( 0.000 0.439 -11.987) 11.995 12.637 ( 0.000 0.439 11.987) 11.995 12.738 ( -0.000 -2.611 -4.732) 5.404 12.738 ( -0.000 -2.611 4.732) 5.404 13.018 ( -0.000 -4.533 -2.713) 5.283 13.018 ( -0.000 -4.533 2.713) 5.283 13.303 ( -0.000 -14.457 -5.047) 15.313 13.303 ( -0.000 -14.457 5.047) 15.313 13.700 ( 0.000 7.666 -6.516) 10.061 13.700 ( 0.000 7.666 6.516) 10.061 14.046 ( -0.000 -3.556 -7.440) 8.246 14.046 ( -0.000 -3.556 7.440) 8.246 14.621 ( -0.000 -0.311 -4.320) 4.331 14.621 ( -0.000 -0.311 4.320) 4.331 ======================= Grid point 277 (84/84) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 0.000 -0.000 -1.777) 1.777 3.427 ( 0.000 -0.000 1.777) 1.777 3.556 ( 0.000 -0.000 -2.517) 2.517 3.556 ( 0.000 -0.000 2.517) 2.517 3.623 ( -0.000 0.000 -3.184) 3.184 3.623 ( -0.000 0.000 3.184) 3.184 3.761 ( -0.000 0.000 -0.914) 0.914 3.761 ( -0.000 0.000 0.914) 0.914 4.196 ( 0.000 -0.000 -0.796) 0.796 4.196 ( 0.000 -0.000 0.796) 0.796 4.231 ( -0.000 0.000 -4.400) 4.400 4.231 ( -0.000 0.000 4.400) 4.400 4.688 ( 0.000 -0.000 -0.398) 0.398 4.688 ( 0.000 -0.000 0.398) 0.398 4.715 ( 0.000 -0.000 -2.501) 2.501 4.715 ( -0.000 0.000 2.501) 2.501 5.409 ( -0.000 0.000 -18.121) 18.121 5.409 ( 0.000 -0.000 18.121) 18.121 5.504 ( 0.000 -0.000 -11.886) 11.886 5.504 ( -0.000 0.000 11.886) 11.886 5.654 ( 0.000 -0.000 -2.307) 2.307 5.654 ( 0.000 -0.000 2.307) 2.307 5.946 ( 0.000 -0.000 -0.505) 0.505 5.946 ( 0.000 -0.000 0.505) 0.505 7.529 ( 0.000 -0.000 -1.100) 1.100 7.529 ( 0.000 -0.000 1.100) 1.100 7.683 ( 0.000 -0.000 -1.960) 1.960 7.683 ( 0.000 -0.000 1.960) 1.960 7.802 ( 0.000 -0.000 -1.374) 1.374 7.802 ( 0.000 -0.000 1.374) 1.374 8.286 ( 0.000 -0.000 -2.055) 2.055 8.286 ( 0.000 -0.000 2.055) 2.055 8.385 ( 0.000 -0.000 -0.332) 0.332 8.385 ( 0.000 -0.000 0.332) 0.332 8.484 ( 0.000 -0.000 -1.585) 1.585 8.484 ( 0.000 -0.000 1.585) 1.585 9.886 ( 0.000 -0.000 -2.813) 2.813 9.886 ( 0.000 -0.000 2.813) 2.813 9.894 ( -0.000 0.000 -2.143) 2.143 9.894 ( -0.000 0.000 2.143) 2.143 9.957 ( -0.000 0.000 -8.403) 8.403 9.957 ( -0.000 0.000 8.403) 8.403 10.487 ( 0.000 -0.000 -8.176) 8.176 10.487 ( 0.000 -0.000 8.176) 8.176 10.654 ( 0.000 -0.000 -7.301) 7.301 10.654 ( 0.000 -0.000 7.301) 7.301 11.156 ( 0.000 -0.000 -3.392) 3.392 11.156 ( 0.000 -0.000 3.392) 3.392 11.524 ( 0.000 -0.000 -0.740) 0.740 11.524 ( 0.000 -0.000 0.740) 0.740 11.842 ( 0.000 -0.000 -0.457) 0.457 11.842 ( 0.000 -0.000 0.457) 0.457 11.909 ( 0.000 -0.000 -3.718) 3.718 11.909 ( 0.000 -0.000 3.718) 3.718 12.045 ( 0.000 -0.000 -1.313) 1.313 12.045 ( -0.000 0.000 1.313) 1.313 12.107 ( 0.000 -0.000 -0.725) 0.725 12.107 ( -0.000 0.000 0.725) 0.725 12.610 ( 0.000 -0.000 -3.758) 3.758 12.610 ( -0.000 0.000 3.758) 3.758 12.688 ( -0.000 0.000 -0.322) 0.322 12.688 ( 0.000 -0.000 0.322) 0.322 12.957 ( -0.000 0.000 -2.417) 2.417 12.957 ( 0.000 -0.000 2.417) 2.417 13.052 ( 0.000 -0.000 -1.801) 1.801 13.052 ( 0.000 -0.000 1.801) 1.801 13.848 ( 0.000 -0.000 -3.808) 3.808 13.848 ( 0.000 -0.000 3.808) 3.808 13.961 ( 0.000 -0.000 -6.758) 6.758 13.961 ( 0.000 -0.000 6.758) 6.758 14.610 ( 0.000 -0.000 -7.444) 7.444 14.610 ( 0.000 -0.000 7.444) 7.444 =================== 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 3/27648 10.0 5126.959 8232.765 3920.093 0.000 0.000 -0.000 3/27648 20.0 3622.231 4858.899 3431.068 0.000 0.000 -0.000 3/27648 30.0 1511.516 1752.260 1511.667 0.000 0.000 -0.000 3/27648 40.0 771.662 852.683 787.298 0.000 0.000 -0.000 3/27648 50.0 471.712 513.005 486.124 0.000 0.000 -0.000 3/27648 60.0 317.664 343.602 329.289 0.000 0.000 -0.000 3/27648 70.0 226.296 244.423 235.438 0.000 0.000 -0.000 3/27648 80.0 168.246 181.591 175.276 0.000 0.000 -0.000 3/27648 90.0 129.851 139.920 135.107 0.000 0.000 -0.000 3/27648 100.0 103.605 111.299 107.412 0.000 0.000 -0.000 3/27648 110.0 85.095 91.019 87.748 0.000 0.000 -0.000 3/27648 120.0 71.645 76.231 73.394 0.000 0.000 -0.000 3/27648 130.0 61.595 65.157 62.642 0.000 0.000 -0.000 3/27648 140.0 53.892 56.663 54.396 0.000 0.000 -0.000 3/27648 150.0 47.850 50.003 47.934 0.000 0.000 -0.000 3/27648 160.0 43.011 44.679 42.771 0.000 0.000 -0.000 3/27648 170.0 39.064 40.347 38.574 0.000 0.000 -0.000 3/27648 180.0 35.793 36.768 35.109 0.000 0.000 -0.000 3/27648 190.0 33.042 33.769 32.208 0.000 0.000 -0.000 3/27648 200.0 30.698 31.225 29.749 0.000 0.000 -0.000 3/27648 210.0 28.678 29.042 27.642 0.000 0.000 -0.000 3/27648 220.0 26.920 27.151 25.818 0.000 0.000 -0.000 3/27648 230.0 25.377 25.498 24.225 0.000 0.000 -0.000 3/27648 240.0 24.010 24.041 22.823 0.000 0.000 -0.000 3/27648 250.0 22.791 22.747 21.579 0.000 0.000 -0.000 3/27648 260.0 21.697 21.591 20.468 0.000 0.000 -0.000 3/27648 270.0 20.710 20.552 19.471 0.000 0.000 -0.000 3/27648 280.0 19.813 19.612 18.570 0.000 0.000 -0.000 3/27648 290.0 18.995 18.759 17.752 0.000 0.000 -0.000 3/27648 300.0 18.246 17.980 17.007 0.000 0.000 -0.000 3/27648 310.0 17.558 17.267 16.324 0.000 0.000 -0.000 3/27648 320.0 16.922 16.610 15.696 0.000 0.000 -0.000 3/27648 330.0 16.333 16.004 15.118 0.000 0.000 -0.000 3/27648 340.0 15.785 15.443 14.582 0.000 0.000 -0.000 3/27648 350.0 15.275 14.922 14.085 0.000 0.000 -0.000 3/27648 360.0 14.799 14.436 13.622 0.000 0.000 -0.000 3/27648 370.0 14.353 13.983 13.190 0.000 0.000 -0.000 3/27648 380.0 13.934 13.558 12.785 0.000 0.000 -0.000 3/27648 390.0 13.540 13.160 12.406 0.000 0.000 -0.000 3/27648 400.0 13.169 12.785 12.050 0.000 0.000 -0.000 3/27648 410.0 12.818 12.432 11.714 0.000 0.000 -0.000 3/27648 420.0 12.486 12.099 11.398 0.000 0.000 -0.000 3/27648 430.0 12.172 11.784 11.099 0.000 0.000 -0.000 3/27648 440.0 11.874 11.486 10.815 0.000 0.000 -0.000 3/27648 450.0 11.590 11.203 10.547 0.000 0.000 -0.000 3/27648 460.0 11.320 10.934 10.292 0.000 0.000 -0.000 3/27648 470.0 11.063 10.678 10.049 0.000 0.000 -0.000 3/27648 480.0 10.818 10.434 9.818 0.000 0.000 -0.000 3/27648 490.0 10.584 10.202 9.598 0.000 0.000 -0.000 3/27648 500.0 10.360 9.980 9.388 0.000 0.000 -0.000 3/27648 510.0 10.145 9.768 9.187 0.000 0.000 -0.000 3/27648 520.0 9.940 9.565 8.995 0.000 0.000 -0.000 3/27648 530.0 9.743 9.370 8.811 0.000 0.000 -0.000 3/27648 540.0 9.553 9.184 8.635 0.000 0.000 -0.000 3/27648 550.0 9.371 9.005 8.465 0.000 0.000 -0.000 3/27648 560.0 9.197 8.833 8.303 0.000 0.000 -0.000 3/27648 570.0 9.028 8.668 8.147 0.000 0.000 -0.000 3/27648 580.0 8.866 8.509 7.997 0.000 0.000 -0.000 3/27648 590.0 8.710 8.356 7.852 0.000 0.000 -0.000 3/27648 600.0 8.559 8.208 7.713 0.000 0.000 -0.000 3/27648 610.0 8.414 8.066 7.578 0.000 0.000 -0.000 3/27648 620.0 8.273 7.929 7.448 0.000 0.000 -0.000 3/27648 630.0 8.138 7.796 7.323 0.000 0.000 -0.000 3/27648 640.0 8.006 7.668 7.202 0.000 0.000 -0.000 3/27648 650.0 7.879 7.544 7.086 0.000 0.000 -0.000 3/27648 660.0 7.756 7.424 6.972 0.000 0.000 -0.000 3/27648 670.0 7.637 7.308 6.863 0.000 0.000 -0.000 3/27648 680.0 7.522 7.196 6.757 0.000 0.000 -0.000 3/27648 690.0 7.410 7.087 6.654 0.000 0.000 -0.000 3/27648 700.0 7.301 6.981 6.555 0.000 0.000 -0.000 3/27648 710.0 7.195 6.879 6.458 0.000 0.000 -0.000 3/27648 720.0 7.093 6.780 6.365 0.000 0.000 -0.000 3/27648 730.0 6.994 6.683 6.274 0.000 0.000 -0.000 3/27648 740.0 6.897 6.589 6.185 0.000 0.000 -0.000 3/27648 750.0 6.803 6.498 6.100 0.000 0.000 -0.000 3/27648 760.0 6.711 6.410 6.016 0.000 0.000 -0.000 3/27648 770.0 6.622 6.324 5.935 0.000 0.000 -0.000 3/27648 780.0 6.536 6.240 5.856 0.000 0.000 -0.000 3/27648 790.0 6.452 6.158 5.779 0.000 0.000 -0.000 3/27648 800.0 6.369 6.079 5.705 0.000 0.000 -0.000 3/27648 810.0 6.289 6.001 5.632 0.000 0.000 -0.000 3/27648 820.0 6.211 5.926 5.561 0.000 0.000 -0.000 3/27648 830.0 6.135 5.852 5.492 0.000 0.000 -0.000 3/27648 840.0 6.061 5.781 5.424 0.000 0.000 -0.000 3/27648 850.0 5.988 5.711 5.358 0.000 0.000 -0.000 3/27648 860.0 5.918 5.643 5.294 0.000 0.000 -0.000 3/27648 870.0 5.849 5.576 5.231 0.000 0.000 -0.000 3/27648 880.0 5.781 5.511 5.170 0.000 0.000 -0.000 3/27648 890.0 5.715 5.448 5.111 0.000 0.000 -0.000 3/27648 900.0 5.651 5.386 5.052 0.000 0.000 -0.000 3/27648 910.0 5.588 5.325 4.995 0.000 0.000 -0.000 3/27648 920.0 5.526 5.266 4.940 0.000 0.000 -0.000 3/27648 930.0 5.466 5.208 4.885 0.000 0.000 -0.000 3/27648 940.0 5.407 5.151 4.832 0.000 0.000 -0.000 3/27648 950.0 5.350 5.096 4.780 0.000 0.000 -0.000 3/27648 960.0 5.293 5.042 4.729 0.000 0.000 -0.000 3/27648 970.0 5.238 4.989 4.679 0.000 0.000 -0.000 3/27648 980.0 5.184 4.937 4.630 0.000 0.000 -0.000 3/27648 990.0 5.131 4.886 4.582 0.000 0.000 -0.000 3/27648 1000.0 5.079 4.836 4.535 0.000 0.000 -0.000 3/27648 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:02:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|