----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:01:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.885449883612462 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -0.947516754951669 0.000000000000000 7.459453325338070 Atomic positions (fractional): *1 C 0.74901611770664 0.41641973396374 0.23712402613355 12.011 2 C 0.74901611770664 0.08358026603626 0.73712402613355 12.011 3 C 0.25098388229336 0.58358026603626 0.76287597386645 12.011 4 C 0.25098388229336 0.91641973396374 0.26287597386645 12.011 *5 O 0.93106064622361 0.15368077391618 0.71900361540295 15.999 6 O 0.06893935377639 0.65368077391618 0.78099638459705 15.999 7 O 0.06893935377639 0.84631922608382 0.28099638459705 15.999 8 O 0.93106064622361 0.34631922608382 0.21900361540295 15.999 *9 O 0.57709956131095 0.13703338371514 0.80322601060514 15.999 10 O 0.57709956131095 0.36296661628486 0.30322601060514 15.999 11 O 0.42290043868905 0.86296661628486 0.19677398939486 15.999 12 O 0.42290043868905 0.63703338371514 0.69677398939486 15.999 *13 O 0.73945922360780 0.54042314385287 0.18507238925220 15.999 14 O 0.26054077639220 0.04042314385287 0.31492761074780 15.999 15 O 0.26054077639220 0.45957685614713 0.81492761074780 15.999 16 O 0.73945922360780 0.95957685614713 0.68507238925220 15.999 *17 Rb 0.74045624583792 0.72392034285015 0.47633118107896 85.468 18 Rb 0.25954375416208 0.22392034285015 0.02366881892103 85.468 19 Rb 0.25954375416208 0.27607965714985 0.52366881892104 85.468 20 Rb 0.74045624583792 0.77607965714985 0.97633118107896 85.468 *21 Rb 0.75954921288067 0.08193103205536 0.31856629780479 85.468 22 Rb 0.24045078711933 0.58193103205536 0.18143370219521 85.468 23 Rb 0.24045078711933 0.91806896794464 0.68143370219521 85.468 24 Rb 0.75954921288067 0.41806896794464 0.81856629780479 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.885449883612462 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -0.947516754951669 0.000000000000000 7.459453325338070 Atomic positions (fractional): *1 C 0.74901611770664 0.41641973396374 0.23712402613355 12.011 > 1 2 C 0.74901611770664 0.08358026603626 0.73712402613355 12.011 > 2 3 C 0.25098388229336 0.58358026603626 0.76287597386645 12.011 > 3 4 C 0.25098388229336 0.91641973396374 0.26287597386645 12.011 > 4 *5 O 0.93106064622361 0.15368077391618 0.71900361540295 15.999 > 5 6 O 0.06893935377639 0.65368077391618 0.78099638459705 15.999 > 6 7 O 0.06893935377639 0.84631922608382 0.28099638459705 15.999 > 7 8 O 0.93106064622361 0.34631922608382 0.21900361540295 15.999 > 8 *9 O 0.57709956131095 0.13703338371514 0.80322601060514 15.999 > 9 10 O 0.57709956131095 0.36296661628486 0.30322601060514 15.999 > 10 11 O 0.42290043868905 0.86296661628486 0.19677398939486 15.999 > 11 12 O 0.42290043868905 0.63703338371514 0.69677398939486 15.999 > 12 *13 O 0.73945922360780 0.54042314385287 0.18507238925220 15.999 > 13 14 O 0.26054077639220 0.04042314385287 0.31492761074780 15.999 > 14 15 O 0.26054077639220 0.45957685614713 0.81492761074780 15.999 > 15 16 O 0.73945922360780 0.95957685614713 0.68507238925220 15.999 > 16 *17 Rb 0.74045624583792 0.72392034285015 0.47633118107896 85.468 > 17 18 Rb 0.25954375416208 0.22392034285015 0.02366881892103 85.468 > 18 19 Rb 0.25954375416208 0.27607965714985 0.52366881892104 85.468 > 19 20 Rb 0.74045624583792 0.77607965714985 0.97633118107896 85.468 > 20 *21 Rb 0.75954921288067 0.08193103205536 0.31856629780479 85.468 > 21 22 Rb 0.24045078711933 0.58193103205536 0.18143370219521 85.468 > 22 23 Rb 0.24045078711933 0.91806896794464 0.68143370219521 85.468 > 23 24 Rb 0.75954921288067 0.41806896794464 0.81856629780479 85.468 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.770899767224924 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -1.895033509903338 0.000000000000000 14.918906650676140 Atomic positions (fractional): *1 C 0.37450805885332 0.41641973396374 0.11856201306677 12.011 > 1 2 C 0.87450805885332 0.41641973396374 0.11856201306677 12.011 > 1 3 C 0.37450805885332 0.41641973396374 0.61856201306677 12.011 > 1 4 C 0.87450805885332 0.41641973396374 0.61856201306677 12.011 > 1 5 C 0.37450805885332 0.08358026603626 0.36856201306677 12.011 > 2 6 C 0.87450805885332 0.08358026603626 0.36856201306677 12.011 > 2 7 C 0.37450805885332 0.08358026603626 0.86856201306677 12.011 > 2 8 C 0.87450805885332 0.08358026603626 0.86856201306677 12.011 > 2 9 C 0.12549194114668 0.58358026603626 0.38143798693323 12.011 > 3 10 C 0.62549194114668 0.58358026603626 0.38143798693323 12.011 > 3 11 C 0.12549194114668 0.58358026603626 0.88143798693323 12.011 > 3 12 C 0.62549194114668 0.58358026603626 0.88143798693323 12.011 > 3 13 C 0.12549194114668 0.91641973396374 0.13143798693323 12.011 > 4 14 C 0.62549194114668 0.91641973396374 0.13143798693323 12.011 > 4 15 C 0.12549194114668 0.91641973396374 0.63143798693323 12.011 > 4 16 C 0.62549194114668 0.91641973396374 0.63143798693323 12.011 > 4 *17 O 0.46553032311180 0.15368077391618 0.35950180770148 15.999 > 5 18 O 0.96553032311180 0.15368077391618 0.35950180770148 15.999 > 5 19 O 0.46553032311180 0.15368077391618 0.85950180770148 15.999 > 5 20 O 0.96553032311180 0.15368077391618 0.85950180770148 15.999 > 5 21 O 0.03446967688820 0.65368077391618 0.39049819229852 15.999 > 6 22 O 0.53446967688820 0.65368077391618 0.39049819229852 15.999 > 6 23 O 0.03446967688820 0.65368077391618 0.89049819229852 15.999 > 6 24 O 0.53446967688820 0.65368077391618 0.89049819229852 15.999 > 6 25 O 0.03446967688820 0.84631922608382 0.14049819229852 15.999 > 7 26 O 0.53446967688820 0.84631922608382 0.14049819229852 15.999 > 7 27 O 0.03446967688820 0.84631922608382 0.64049819229852 15.999 > 7 28 O 0.53446967688820 0.84631922608382 0.64049819229852 15.999 > 7 29 O 0.46553032311180 0.34631922608382 0.10950180770148 15.999 > 8 30 O 0.96553032311180 0.34631922608382 0.10950180770148 15.999 > 8 31 O 0.46553032311180 0.34631922608382 0.60950180770148 15.999 > 8 32 O 0.96553032311180 0.34631922608382 0.60950180770148 15.999 > 8 *33 O 0.28854978065547 0.13703338371514 0.40161300530257 15.999 > 9 34 O 0.78854978065547 0.13703338371514 0.40161300530257 15.999 > 9 35 O 0.28854978065547 0.13703338371514 0.90161300530257 15.999 > 9 36 O 0.78854978065547 0.13703338371514 0.90161300530257 15.999 > 9 37 O 0.28854978065547 0.36296661628486 0.15161300530257 15.999 > 10 38 O 0.78854978065547 0.36296661628486 0.15161300530257 15.999 > 10 39 O 0.28854978065547 0.36296661628486 0.65161300530257 15.999 > 10 40 O 0.78854978065547 0.36296661628486 0.65161300530257 15.999 > 10 41 O 0.21145021934453 0.86296661628486 0.09838699469743 15.999 > 11 42 O 0.71145021934453 0.86296661628486 0.09838699469743 15.999 > 11 43 O 0.21145021934453 0.86296661628486 0.59838699469743 15.999 > 11 44 O 0.71145021934453 0.86296661628486 0.59838699469743 15.999 > 11 45 O 0.21145021934453 0.63703338371514 0.34838699469743 15.999 > 12 46 O 0.71145021934453 0.63703338371514 0.34838699469743 15.999 > 12 47 O 0.21145021934453 0.63703338371514 0.84838699469743 15.999 > 12 48 O 0.71145021934453 0.63703338371514 0.84838699469743 15.999 > 12 *49 O 0.36972961180390 0.54042314385287 0.09253619462610 15.999 > 13 50 O 0.86972961180390 0.54042314385287 0.09253619462610 15.999 > 13 51 O 0.36972961180390 0.54042314385287 0.59253619462610 15.999 > 13 52 O 0.86972961180390 0.54042314385287 0.59253619462610 15.999 > 13 53 O 0.13027038819610 0.04042314385287 0.15746380537390 15.999 > 14 54 O 0.63027038819610 0.04042314385287 0.15746380537390 15.999 > 14 55 O 0.13027038819610 0.04042314385287 0.65746380537390 15.999 > 14 56 O 0.63027038819610 0.04042314385287 0.65746380537390 15.999 > 14 57 O 0.13027038819610 0.45957685614713 0.40746380537390 15.999 > 15 58 O 0.63027038819610 0.45957685614713 0.40746380537390 15.999 > 15 59 O 0.13027038819610 0.45957685614713 0.90746380537390 15.999 > 15 60 O 0.63027038819610 0.45957685614713 0.90746380537390 15.999 > 15 61 O 0.36972961180390 0.95957685614713 0.34253619462610 15.999 > 16 62 O 0.86972961180390 0.95957685614713 0.34253619462610 15.999 > 16 63 O 0.36972961180390 0.95957685614713 0.84253619462610 15.999 > 16 64 O 0.86972961180390 0.95957685614713 0.84253619462610 15.999 > 16 *65 Rb 0.37022812291896 0.72392034285015 0.23816559053948 85.468 > 17 66 Rb 0.87022812291896 0.72392034285015 0.23816559053948 85.468 > 17 67 Rb 0.37022812291896 0.72392034285015 0.73816559053948 85.468 > 17 68 Rb 0.87022812291896 0.72392034285015 0.73816559053948 85.468 > 17 69 Rb 0.12977187708104 0.22392034285015 0.01183440946052 85.468 > 18 70 Rb 0.62977187708104 0.22392034285015 0.01183440946052 85.468 > 18 71 Rb 0.12977187708104 0.22392034285015 0.51183440946052 85.468 > 18 72 Rb 0.62977187708104 0.22392034285015 0.51183440946052 85.468 > 18 73 Rb 0.12977187708104 0.27607965714985 0.26183440946052 85.468 > 19 74 Rb 0.62977187708104 0.27607965714985 0.26183440946052 85.468 > 19 75 Rb 0.12977187708104 0.27607965714985 0.76183440946052 85.468 > 19 76 Rb 0.62977187708104 0.27607965714985 0.76183440946052 85.468 > 19 77 Rb 0.37022812291896 0.77607965714985 0.48816559053948 85.468 > 20 78 Rb 0.87022812291896 0.77607965714985 0.48816559053948 85.468 > 20 79 Rb 0.37022812291896 0.77607965714985 0.98816559053948 85.468 > 20 80 Rb 0.87022812291896 0.77607965714985 0.98816559053948 85.468 > 20 *81 Rb 0.37977460644034 0.08193103205536 0.15928314890239 85.468 > 21 82 Rb 0.87977460644034 0.08193103205536 0.15928314890239 85.468 > 21 83 Rb 0.37977460644034 0.08193103205536 0.65928314890239 85.468 > 21 84 Rb 0.87977460644034 0.08193103205536 0.65928314890239 85.468 > 21 85 Rb 0.12022539355966 0.58193103205536 0.09071685109761 85.468 > 22 86 Rb 0.62022539355966 0.58193103205536 0.09071685109761 85.468 > 22 87 Rb 0.12022539355966 0.58193103205536 0.59071685109761 85.468 > 22 88 Rb 0.62022539355966 0.58193103205536 0.59071685109761 85.468 > 22 89 Rb 0.12022539355966 0.91806896794464 0.34071685109761 85.468 > 23 90 Rb 0.62022539355966 0.91806896794464 0.34071685109761 85.468 > 23 91 Rb 0.12022539355966 0.91806896794464 0.84071685109761 85.468 > 23 92 Rb 0.62022539355966 0.91806896794464 0.84071685109761 85.468 > 23 93 Rb 0.37977460644034 0.41806896794464 0.40928314890239 85.468 > 24 94 Rb 0.87977460644034 0.41806896794464 0.40928314890239 85.468 > 24 95 Rb 0.37977460644034 0.41806896794464 0.90928314890239 85.468 > 24 96 Rb 0.87977460644034 0.41806896794464 0.90928314890239 85.468 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5568076 0.0000000 -0.0951997 0.0000000 2.5412327 0.0000000 -0.0952007 0.0000000 2.2375145 -------------------------- Born effective charges -------------------------- 1 C 2.7960119 -0.1854473 -0.8056413 -0.1867904 2.7337050 -0.7713007 -0.7460538 -0.6818051 0.4329679 2 C 2.7960119 0.1854473 -0.8056413 0.1867904 2.7337050 0.7713007 -0.7460538 0.6818051 0.4329679 3 C 2.7960119 -0.1854473 -0.8056413 -0.1867904 2.7337050 -0.7713007 -0.7460538 -0.6818051 0.4329679 4 C 2.7960119 0.1854473 -0.8056413 0.1867904 2.7337050 0.7713007 -0.7460538 0.6818051 0.4329679 5 O -2.1051100 -0.6192646 0.1879613 -0.6039107 -1.5057368 -0.0787778 0.2067109 -0.0253106 -0.8744966 6 O -2.1051100 0.6192646 0.1879613 0.6039107 -1.5057368 0.0787778 0.2067109 0.0253106 -0.8744966 7 O -2.1051100 -0.6192646 0.1879613 -0.6039107 -1.5057368 -0.0787778 0.2067109 -0.0253106 -0.8744966 8 O -2.1051100 0.6192646 0.1879613 0.6039107 -1.5057368 0.0787778 0.2067109 0.0253106 -0.8744966 9 O -2.0874892 0.4580064 0.5463287 0.4492223 -1.3684161 -0.3483422 0.4789931 -0.2805269 -1.0125761 10 O -2.0874892 -0.4580064 0.5463287 -0.4492223 -1.3684161 0.3483422 0.4789931 0.2805269 -1.0125761 11 O -2.0874892 0.4580064 0.5463287 0.4492223 -1.3684161 -0.3483422 0.4789931 -0.2805269 -1.0125761 12 O -2.0874892 -0.4580064 0.5463287 -0.4492223 -1.3684161 0.3483422 0.4789931 0.2805269 -1.0125761 13 O -1.1647334 0.0003979 0.1028987 0.0276594 -2.3811337 0.4085858 0.0944572 0.3651396 -0.9763019 14 O -1.1647334 -0.0003979 0.1028987 -0.0276594 -2.3811337 -0.4085858 0.0944572 -0.3651396 -0.9763019 15 O -1.1647334 0.0003979 0.1028987 0.0276594 -2.3811337 0.4085858 0.0944572 0.3651396 -0.9763019 16 O -1.1647334 -0.0003979 0.1028987 -0.0276594 -2.3811337 -0.4085858 0.0944572 -0.3651396 -0.9763019 17 Rb 1.2919069 0.0520175 -0.0438915 0.0538879 1.2833251 0.0195344 -0.0619645 0.0397512 1.3454007 18 Rb 1.2919069 -0.0520175 -0.0438915 -0.0538879 1.2833251 -0.0195344 -0.0619645 -0.0397512 1.3454007 19 Rb 1.2919069 0.0520175 -0.0438915 0.0538879 1.2833251 0.0195344 -0.0619645 0.0397512 1.3454007 20 Rb 1.2919069 -0.0520175 -0.0438915 -0.0538879 1.2833251 -0.0195344 -0.0619645 -0.0397512 1.3454007 21 Rb 1.2694137 -0.0009603 0.0123441 0.0065365 1.2382566 -0.0383334 0.0278571 -0.0939389 1.0850059 22 Rb 1.2694137 0.0009603 0.0123441 -0.0065365 1.2382566 0.0383334 0.0278571 0.0939389 1.0850059 23 Rb 1.2694137 -0.0009603 0.0123441 0.0065365 1.2382566 -0.0383334 0.0278571 -0.0939389 1.0850059 24 Rb 1.2694137 0.0009603 0.0123441 -0.0065365 1.2382566 0.0383334 0.0278571 0.0939389 1.0850059 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.686 Solver_block: 200 / 720 - Time: 0.639 Solver_block: 300 / 720 - Time: 1.519 Solver_block: 400 / 720 - Time: 0.933 Solver_block: 500 / 720 - Time: 0.637 Solver_block: 600 / 720 - Time: 1.818 Solver_block: 700 / 720 - Time: 0.962 Solver_block: 720 / 720 - Time: 0.279 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.920 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 20:02:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:02:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.885449883612462 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -0.947516754951669 0.000000000000000 7.459453325338070 Atomic positions (fractional): 1 C 0.74901611770664 0.41641973396374 0.23712402613355 12.011 2 C 0.74901611770664 0.08358026603626 0.73712402613355 12.011 3 C 0.25098388229336 0.58358026603626 0.76287597386645 12.011 4 C 0.25098388229336 0.91641973396374 0.26287597386645 12.011 5 O 0.93106064622361 0.15368077391618 0.71900361540295 15.999 6 O 0.06893935377639 0.65368077391618 0.78099638459705 15.999 7 O 0.06893935377639 0.84631922608382 0.28099638459705 15.999 8 O 0.93106064622361 0.34631922608382 0.21900361540295 15.999 9 O 0.57709956131095 0.13703338371514 0.80322601060514 15.999 10 O 0.57709956131095 0.36296661628486 0.30322601060514 15.999 11 O 0.42290043868905 0.86296661628486 0.19677398939486 15.999 12 O 0.42290043868905 0.63703338371514 0.69677398939486 15.999 13 O 0.73945922360780 0.54042314385287 0.18507238925220 15.999 14 O 0.26054077639220 0.04042314385287 0.31492761074780 15.999 15 O 0.26054077639220 0.45957685614713 0.81492761074780 15.999 16 O 0.73945922360780 0.95957685614713 0.68507238925220 15.999 17 Rb 0.74045624583792 0.72392034285015 0.47633118107896 85.468 18 Rb 0.25954375416208 0.22392034285015 0.02366881892103 85.468 19 Rb 0.25954375416208 0.27607965714985 0.52366881892104 85.468 20 Rb 0.74045624583792 0.77607965714985 0.97633118107896 85.468 21 Rb 0.75954921288067 0.08193103205536 0.31856629780479 85.468 22 Rb 0.24045078711933 0.58193103205536 0.18143370219521 85.468 23 Rb 0.24045078711933 0.91806896794464 0.68143370219521 85.468 24 Rb 0.75954921288067 0.41806896794464 0.81856629780479 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.770899767224924 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -1.895033509903338 0.000000000000000 14.918906650676140 Atomic positions (fractional): 1 C 0.37450805885332 0.41641973396374 0.11856201306677 12.011 > 1 2 C 0.87450805885332 0.41641973396374 0.11856201306677 12.011 > 1 3 C 0.37450805885332 0.41641973396374 0.61856201306677 12.011 > 1 4 C 0.87450805885332 0.41641973396374 0.61856201306677 12.011 > 1 5 C 0.37450805885332 0.08358026603626 0.36856201306677 12.011 > 5 6 C 0.87450805885332 0.08358026603626 0.36856201306677 12.011 > 5 7 C 0.37450805885332 0.08358026603626 0.86856201306677 12.011 > 5 8 C 0.87450805885332 0.08358026603626 0.86856201306677 12.011 > 5 9 C 0.12549194114668 0.58358026603626 0.38143798693323 12.011 > 9 10 C 0.62549194114668 0.58358026603626 0.38143798693323 12.011 > 9 11 C 0.12549194114668 0.58358026603626 0.88143798693323 12.011 > 9 12 C 0.62549194114668 0.58358026603626 0.88143798693323 12.011 > 9 13 C 0.12549194114668 0.91641973396374 0.13143798693323 12.011 > 13 14 C 0.62549194114668 0.91641973396374 0.13143798693323 12.011 > 13 15 C 0.12549194114668 0.91641973396374 0.63143798693323 12.011 > 13 16 C 0.62549194114668 0.91641973396374 0.63143798693323 12.011 > 13 17 O 0.46553032311180 0.15368077391618 0.35950180770148 15.999 > 17 18 O 0.96553032311180 0.15368077391618 0.35950180770148 15.999 > 17 19 O 0.46553032311180 0.15368077391618 0.85950180770148 15.999 > 17 20 O 0.96553032311180 0.15368077391618 0.85950180770148 15.999 > 17 21 O 0.03446967688820 0.65368077391618 0.39049819229852 15.999 > 21 22 O 0.53446967688820 0.65368077391618 0.39049819229852 15.999 > 21 23 O 0.03446967688820 0.65368077391618 0.89049819229852 15.999 > 21 24 O 0.53446967688820 0.65368077391618 0.89049819229852 15.999 > 21 25 O 0.03446967688820 0.84631922608382 0.14049819229852 15.999 > 25 26 O 0.53446967688820 0.84631922608382 0.14049819229852 15.999 > 25 27 O 0.03446967688820 0.84631922608382 0.64049819229852 15.999 > 25 28 O 0.53446967688820 0.84631922608382 0.64049819229852 15.999 > 25 29 O 0.46553032311180 0.34631922608382 0.10950180770148 15.999 > 29 30 O 0.96553032311180 0.34631922608382 0.10950180770148 15.999 > 29 31 O 0.46553032311180 0.34631922608382 0.60950180770148 15.999 > 29 32 O 0.96553032311180 0.34631922608382 0.60950180770148 15.999 > 29 33 O 0.28854978065547 0.13703338371514 0.40161300530257 15.999 > 33 34 O 0.78854978065547 0.13703338371514 0.40161300530257 15.999 > 33 35 O 0.28854978065547 0.13703338371514 0.90161300530257 15.999 > 33 36 O 0.78854978065547 0.13703338371514 0.90161300530257 15.999 > 33 37 O 0.28854978065547 0.36296661628486 0.15161300530257 15.999 > 37 38 O 0.78854978065547 0.36296661628486 0.15161300530257 15.999 > 37 39 O 0.28854978065547 0.36296661628486 0.65161300530257 15.999 > 37 40 O 0.78854978065547 0.36296661628486 0.65161300530257 15.999 > 37 41 O 0.21145021934453 0.86296661628486 0.09838699469743 15.999 > 41 42 O 0.71145021934453 0.86296661628486 0.09838699469743 15.999 > 41 43 O 0.21145021934453 0.86296661628486 0.59838699469743 15.999 > 41 44 O 0.71145021934453 0.86296661628486 0.59838699469743 15.999 > 41 45 O 0.21145021934453 0.63703338371514 0.34838699469743 15.999 > 45 46 O 0.71145021934453 0.63703338371514 0.34838699469743 15.999 > 45 47 O 0.21145021934453 0.63703338371514 0.84838699469743 15.999 > 45 48 O 0.71145021934453 0.63703338371514 0.84838699469743 15.999 > 45 49 O 0.36972961180390 0.54042314385287 0.09253619462610 15.999 > 49 50 O 0.86972961180390 0.54042314385287 0.09253619462610 15.999 > 49 51 O 0.36972961180390 0.54042314385287 0.59253619462610 15.999 > 49 52 O 0.86972961180390 0.54042314385287 0.59253619462610 15.999 > 49 53 O 0.13027038819610 0.04042314385287 0.15746380537390 15.999 > 53 54 O 0.63027038819610 0.04042314385287 0.15746380537390 15.999 > 53 55 O 0.13027038819610 0.04042314385287 0.65746380537390 15.999 > 53 56 O 0.63027038819610 0.04042314385287 0.65746380537390 15.999 > 53 57 O 0.13027038819610 0.45957685614713 0.40746380537390 15.999 > 57 58 O 0.63027038819610 0.45957685614713 0.40746380537390 15.999 > 57 59 O 0.13027038819610 0.45957685614713 0.90746380537390 15.999 > 57 60 O 0.63027038819610 0.45957685614713 0.90746380537390 15.999 > 57 61 O 0.36972961180390 0.95957685614713 0.34253619462610 15.999 > 61 62 O 0.86972961180390 0.95957685614713 0.34253619462610 15.999 > 61 63 O 0.36972961180390 0.95957685614713 0.84253619462610 15.999 > 61 64 O 0.86972961180390 0.95957685614713 0.84253619462610 15.999 > 61 65 Rb 0.37022812291896 0.72392034285015 0.23816559053948 85.468 > 65 66 Rb 0.87022812291896 0.72392034285015 0.23816559053948 85.468 > 65 67 Rb 0.37022812291896 0.72392034285015 0.73816559053948 85.468 > 65 68 Rb 0.87022812291896 0.72392034285015 0.73816559053948 85.468 > 65 69 Rb 0.12977187708104 0.22392034285015 0.01183440946052 85.468 > 69 70 Rb 0.62977187708104 0.22392034285015 0.01183440946052 85.468 > 69 71 Rb 0.12977187708104 0.22392034285015 0.51183440946052 85.468 > 69 72 Rb 0.62977187708104 0.22392034285015 0.51183440946052 85.468 > 69 73 Rb 0.12977187708104 0.27607965714985 0.26183440946052 85.468 > 73 74 Rb 0.62977187708104 0.27607965714985 0.26183440946052 85.468 > 73 75 Rb 0.12977187708104 0.27607965714985 0.76183440946052 85.468 > 73 76 Rb 0.62977187708104 0.27607965714985 0.76183440946052 85.468 > 73 77 Rb 0.37022812291896 0.77607965714985 0.48816559053948 85.468 > 77 78 Rb 0.87022812291896 0.77607965714985 0.48816559053948 85.468 > 77 79 Rb 0.37022812291896 0.77607965714985 0.98816559053948 85.468 > 77 80 Rb 0.87022812291896 0.77607965714985 0.98816559053948 85.468 > 77 81 Rb 0.37977460644034 0.08193103205536 0.15928314890239 85.468 > 81 82 Rb 0.87977460644034 0.08193103205536 0.15928314890239 85.468 > 81 83 Rb 0.37977460644034 0.08193103205536 0.65928314890239 85.468 > 81 84 Rb 0.87977460644034 0.08193103205536 0.65928314890239 85.468 > 81 85 Rb 0.12022539355966 0.58193103205536 0.09071685109761 85.468 > 85 86 Rb 0.62022539355966 0.58193103205536 0.09071685109761 85.468 > 85 87 Rb 0.12022539355966 0.58193103205536 0.59071685109761 85.468 > 85 88 Rb 0.62022539355966 0.58193103205536 0.59071685109761 85.468 > 85 89 Rb 0.12022539355966 0.91806896794464 0.34071685109761 85.468 > 89 90 Rb 0.62022539355966 0.91806896794464 0.34071685109761 85.468 > 89 91 Rb 0.12022539355966 0.91806896794464 0.84071685109761 85.468 > 89 92 Rb 0.62022539355966 0.91806896794464 0.84071685109761 85.468 > 89 93 Rb 0.37977460644034 0.41806896794464 0.40928314890239 85.468 > 93 94 Rb 0.87977460644034 0.41806896794464 0.40928314890239 85.468 > 93 95 Rb 0.37977460644034 0.41806896794464 0.90928314890239 85.468 > 93 96 Rb 0.87977460644034 0.41806896794464 0.90928314890239 85.468 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5568076 0.0000000 -0.0951997 0.0000000 2.5412327 0.0000000 -0.0952007 0.0000000 2.2375145 -------------------------- Born effective charges -------------------------- 1 C 2.7960119 -0.1854473 -0.8056413 -0.1867904 2.7337050 -0.7713007 -0.7460538 -0.6818051 0.4329679 2 C 2.7960119 0.1854473 -0.8056413 0.1867904 2.7337050 0.7713007 -0.7460538 0.6818051 0.4329679 3 C 2.7960119 -0.1854473 -0.8056413 -0.1867904 2.7337050 -0.7713007 -0.7460538 -0.6818051 0.4329679 4 C 2.7960119 0.1854473 -0.8056413 0.1867904 2.7337050 0.7713007 -0.7460538 0.6818051 0.4329679 5 O -2.1051100 -0.6192646 0.1879613 -0.6039107 -1.5057368 -0.0787778 0.2067109 -0.0253106 -0.8744966 6 O -2.1051100 0.6192646 0.1879613 0.6039107 -1.5057368 0.0787778 0.2067109 0.0253106 -0.8744966 7 O -2.1051100 -0.6192646 0.1879613 -0.6039107 -1.5057368 -0.0787778 0.2067109 -0.0253106 -0.8744966 8 O -2.1051100 0.6192646 0.1879613 0.6039107 -1.5057368 0.0787778 0.2067109 0.0253106 -0.8744966 9 O -2.0874892 0.4580064 0.5463287 0.4492223 -1.3684161 -0.3483422 0.4789931 -0.2805269 -1.0125761 10 O -2.0874892 -0.4580064 0.5463287 -0.4492223 -1.3684161 0.3483422 0.4789931 0.2805269 -1.0125761 11 O -2.0874892 0.4580064 0.5463287 0.4492223 -1.3684161 -0.3483422 0.4789931 -0.2805269 -1.0125761 12 O -2.0874892 -0.4580064 0.5463287 -0.4492223 -1.3684161 0.3483422 0.4789931 0.2805269 -1.0125761 13 O -1.1647334 0.0003979 0.1028987 0.0276594 -2.3811337 0.4085858 0.0944572 0.3651396 -0.9763019 14 O -1.1647334 -0.0003979 0.1028987 -0.0276594 -2.3811337 -0.4085858 0.0944572 -0.3651396 -0.9763019 15 O -1.1647334 0.0003979 0.1028987 0.0276594 -2.3811337 0.4085858 0.0944572 0.3651396 -0.9763019 16 O -1.1647334 -0.0003979 0.1028987 -0.0276594 -2.3811337 -0.4085858 0.0944572 -0.3651396 -0.9763019 17 Rb 1.2919069 0.0520175 -0.0438915 0.0538879 1.2833251 0.0195344 -0.0619645 0.0397512 1.3454007 18 Rb 1.2919069 -0.0520175 -0.0438915 -0.0538879 1.2833251 -0.0195344 -0.0619645 -0.0397512 1.3454007 19 Rb 1.2919069 0.0520175 -0.0438915 0.0538879 1.2833251 0.0195344 -0.0619645 0.0397512 1.3454007 20 Rb 1.2919069 -0.0520175 -0.0438915 -0.0538879 1.2833251 -0.0195344 -0.0619645 -0.0397512 1.3454007 21 Rb 1.2694137 -0.0009603 0.0123441 0.0065365 1.2382566 -0.0383334 0.0278571 -0.0939389 1.0850059 22 Rb 1.2694137 0.0009603 0.0123441 -0.0065365 1.2382566 0.0383334 0.0278571 0.0939389 1.0850059 23 Rb 1.2694137 -0.0009603 0.0123441 0.0065365 1.2382566 -0.0383334 0.0278571 -0.0939389 1.0850059 24 Rb 1.2694137 0.0009603 0.0123441 -0.0065365 1.2382566 0.0383334 0.0278571 0.0939389 1.0850059 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yz) 0.00000003 (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 2026-01-07 20:02:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:02:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.885449883612462 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -0.947516754951669 0.000000000000000 7.459453325338070 Atomic positions (fractional): 1 C 0.74901611770664 0.41641973396374 0.23712402613355 12.011 2 C 0.74901611770664 0.08358026603626 0.73712402613355 12.011 3 C 0.25098388229336 0.58358026603626 0.76287597386645 12.011 4 C 0.25098388229336 0.91641973396374 0.26287597386645 12.011 5 O 0.93106064622361 0.15368077391618 0.71900361540295 15.999 6 O 0.06893935377639 0.65368077391618 0.78099638459705 15.999 7 O 0.06893935377639 0.84631922608382 0.28099638459705 15.999 8 O 0.93106064622361 0.34631922608382 0.21900361540295 15.999 9 O 0.57709956131095 0.13703338371514 0.80322601060514 15.999 10 O 0.57709956131095 0.36296661628486 0.30322601060514 15.999 11 O 0.42290043868905 0.86296661628486 0.19677398939486 15.999 12 O 0.42290043868905 0.63703338371514 0.69677398939486 15.999 13 O 0.73945922360780 0.54042314385287 0.18507238925220 15.999 14 O 0.26054077639220 0.04042314385287 0.31492761074780 15.999 15 O 0.26054077639220 0.45957685614713 0.81492761074780 15.999 16 O 0.73945922360780 0.95957685614713 0.68507238925220 15.999 17 Rb 0.74045624583792 0.72392034285015 0.47633118107896 85.468 18 Rb 0.25954375416208 0.22392034285015 0.02366881892103 85.468 19 Rb 0.25954375416208 0.27607965714985 0.52366881892104 85.468 20 Rb 0.74045624583792 0.77607965714985 0.97633118107896 85.468 21 Rb 0.75954921288067 0.08193103205536 0.31856629780479 85.468 22 Rb 0.24045078711933 0.58193103205536 0.18143370219521 85.468 23 Rb 0.24045078711933 0.91806896794464 0.68143370219521 85.468 24 Rb 0.75954921288067 0.41806896794464 0.81856629780479 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.770899767224924 0.000000000000000 0.000000000000000 b 0.000000000000000 10.040246030000000 0.000000000000000 c -1.895033509903338 0.000000000000000 14.918906650676140 Atomic positions (fractional): 1 C 0.37450805885332 0.41641973396374 0.11856201306677 12.011 > 1 2 C 0.87450805885332 0.41641973396374 0.11856201306677 12.011 > 1 3 C 0.37450805885332 0.41641973396374 0.61856201306677 12.011 > 1 4 C 0.87450805885332 0.41641973396374 0.61856201306677 12.011 > 1 5 C 0.37450805885332 0.08358026603626 0.36856201306677 12.011 > 5 6 C 0.87450805885332 0.08358026603626 0.36856201306677 12.011 > 5 7 C 0.37450805885332 0.08358026603626 0.86856201306677 12.011 > 5 8 C 0.87450805885332 0.08358026603626 0.86856201306677 12.011 > 5 9 C 0.12549194114668 0.58358026603626 0.38143798693323 12.011 > 9 10 C 0.62549194114668 0.58358026603626 0.38143798693323 12.011 > 9 11 C 0.12549194114668 0.58358026603626 0.88143798693323 12.011 > 9 12 C 0.62549194114668 0.58358026603626 0.88143798693323 12.011 > 9 13 C 0.12549194114668 0.91641973396374 0.13143798693323 12.011 > 13 14 C 0.62549194114668 0.91641973396374 0.13143798693323 12.011 > 13 15 C 0.12549194114668 0.91641973396374 0.63143798693323 12.011 > 13 16 C 0.62549194114668 0.91641973396374 0.63143798693323 12.011 > 13 17 O 0.46553032311180 0.15368077391618 0.35950180770148 15.999 > 17 18 O 0.96553032311180 0.15368077391618 0.35950180770148 15.999 > 17 19 O 0.46553032311180 0.15368077391618 0.85950180770148 15.999 > 17 20 O 0.96553032311180 0.15368077391618 0.85950180770148 15.999 > 17 21 O 0.03446967688820 0.65368077391618 0.39049819229852 15.999 > 21 22 O 0.53446967688820 0.65368077391618 0.39049819229852 15.999 > 21 23 O 0.03446967688820 0.65368077391618 0.89049819229852 15.999 > 21 24 O 0.53446967688820 0.65368077391618 0.89049819229852 15.999 > 21 25 O 0.03446967688820 0.84631922608382 0.14049819229852 15.999 > 25 26 O 0.53446967688820 0.84631922608382 0.14049819229852 15.999 > 25 27 O 0.03446967688820 0.84631922608382 0.64049819229852 15.999 > 25 28 O 0.53446967688820 0.84631922608382 0.64049819229852 15.999 > 25 29 O 0.46553032311180 0.34631922608382 0.10950180770148 15.999 > 29 30 O 0.96553032311180 0.34631922608382 0.10950180770148 15.999 > 29 31 O 0.46553032311180 0.34631922608382 0.60950180770148 15.999 > 29 32 O 0.96553032311180 0.34631922608382 0.60950180770148 15.999 > 29 33 O 0.28854978065547 0.13703338371514 0.40161300530257 15.999 > 33 34 O 0.78854978065547 0.13703338371514 0.40161300530257 15.999 > 33 35 O 0.28854978065547 0.13703338371514 0.90161300530257 15.999 > 33 36 O 0.78854978065547 0.13703338371514 0.90161300530257 15.999 > 33 37 O 0.28854978065547 0.36296661628486 0.15161300530257 15.999 > 37 38 O 0.78854978065547 0.36296661628486 0.15161300530257 15.999 > 37 39 O 0.28854978065547 0.36296661628486 0.65161300530257 15.999 > 37 40 O 0.78854978065547 0.36296661628486 0.65161300530257 15.999 > 37 41 O 0.21145021934453 0.86296661628486 0.09838699469743 15.999 > 41 42 O 0.71145021934453 0.86296661628486 0.09838699469743 15.999 > 41 43 O 0.21145021934453 0.86296661628486 0.59838699469743 15.999 > 41 44 O 0.71145021934453 0.86296661628486 0.59838699469743 15.999 > 41 45 O 0.21145021934453 0.63703338371514 0.34838699469743 15.999 > 45 46 O 0.71145021934453 0.63703338371514 0.34838699469743 15.999 > 45 47 O 0.21145021934453 0.63703338371514 0.84838699469743 15.999 > 45 48 O 0.71145021934453 0.63703338371514 0.84838699469743 15.999 > 45 49 O 0.36972961180390 0.54042314385287 0.09253619462610 15.999 > 49 50 O 0.86972961180390 0.54042314385287 0.09253619462610 15.999 > 49 51 O 0.36972961180390 0.54042314385287 0.59253619462610 15.999 > 49 52 O 0.86972961180390 0.54042314385287 0.59253619462610 15.999 > 49 53 O 0.13027038819610 0.04042314385287 0.15746380537390 15.999 > 53 54 O 0.63027038819610 0.04042314385287 0.15746380537390 15.999 > 53 55 O 0.13027038819610 0.04042314385287 0.65746380537390 15.999 > 53 56 O 0.63027038819610 0.04042314385287 0.65746380537390 15.999 > 53 57 O 0.13027038819610 0.45957685614713 0.40746380537390 15.999 > 57 58 O 0.63027038819610 0.45957685614713 0.40746380537390 15.999 > 57 59 O 0.13027038819610 0.45957685614713 0.90746380537390 15.999 > 57 60 O 0.63027038819610 0.45957685614713 0.90746380537390 15.999 > 57 61 O 0.36972961180390 0.95957685614713 0.34253619462610 15.999 > 61 62 O 0.86972961180390 0.95957685614713 0.34253619462610 15.999 > 61 63 O 0.36972961180390 0.95957685614713 0.84253619462610 15.999 > 61 64 O 0.86972961180390 0.95957685614713 0.84253619462610 15.999 > 61 65 Rb 0.37022812291896 0.72392034285015 0.23816559053948 85.468 > 65 66 Rb 0.87022812291896 0.72392034285015 0.23816559053948 85.468 > 65 67 Rb 0.37022812291896 0.72392034285015 0.73816559053948 85.468 > 65 68 Rb 0.87022812291896 0.72392034285015 0.73816559053948 85.468 > 65 69 Rb 0.12977187708104 0.22392034285015 0.01183440946052 85.468 > 69 70 Rb 0.62977187708104 0.22392034285015 0.01183440946052 85.468 > 69 71 Rb 0.12977187708104 0.22392034285015 0.51183440946052 85.468 > 69 72 Rb 0.62977187708104 0.22392034285015 0.51183440946052 85.468 > 69 73 Rb 0.12977187708104 0.27607965714985 0.26183440946052 85.468 > 73 74 Rb 0.62977187708104 0.27607965714985 0.26183440946052 85.468 > 73 75 Rb 0.12977187708104 0.27607965714985 0.76183440946052 85.468 > 73 76 Rb 0.62977187708104 0.27607965714985 0.76183440946052 85.468 > 73 77 Rb 0.37022812291896 0.77607965714985 0.48816559053948 85.468 > 77 78 Rb 0.87022812291896 0.77607965714985 0.48816559053948 85.468 > 77 79 Rb 0.37022812291896 0.77607965714985 0.98816559053948 85.468 > 77 80 Rb 0.87022812291896 0.77607965714985 0.98816559053948 85.468 > 77 81 Rb 0.37977460644034 0.08193103205536 0.15928314890239 85.468 > 81 82 Rb 0.87977460644034 0.08193103205536 0.15928314890239 85.468 > 81 83 Rb 0.37977460644034 0.08193103205536 0.65928314890239 85.468 > 81 84 Rb 0.87977460644034 0.08193103205536 0.65928314890239 85.468 > 81 85 Rb 0.12022539355966 0.58193103205536 0.09071685109761 85.468 > 85 86 Rb 0.62022539355966 0.58193103205536 0.09071685109761 85.468 > 85 87 Rb 0.12022539355966 0.58193103205536 0.59071685109761 85.468 > 85 88 Rb 0.62022539355966 0.58193103205536 0.59071685109761 85.468 > 85 89 Rb 0.12022539355966 0.91806896794464 0.34071685109761 85.468 > 89 90 Rb 0.62022539355966 0.91806896794464 0.34071685109761 85.468 > 89 91 Rb 0.12022539355966 0.91806896794464 0.84071685109761 85.468 > 89 92 Rb 0.62022539355966 0.91806896794464 0.84071685109761 85.468 > 89 93 Rb 0.37977460644034 0.41806896794464 0.40928314890239 85.468 > 93 94 Rb 0.87977460644034 0.41806896794464 0.40928314890239 85.468 > 93 95 Rb 0.37977460644034 0.41806896794464 0.90928314890239 85.468 > 93 96 Rb 0.87977460644034 0.41806896794464 0.90928314890239 85.468 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5568076 0.0000000 -0.0951997 0.0000000 2.5412327 0.0000000 -0.0952007 0.0000000 2.2375145 -------------------------- Born effective charges -------------------------- 1 C 2.7960119 -0.1854473 -0.8056413 -0.1867904 2.7337050 -0.7713007 -0.7460538 -0.6818051 0.4329679 2 C 2.7960119 0.1854473 -0.8056413 0.1867904 2.7337050 0.7713007 -0.7460538 0.6818051 0.4329679 3 C 2.7960119 -0.1854473 -0.8056413 -0.1867904 2.7337050 -0.7713007 -0.7460538 -0.6818051 0.4329679 4 C 2.7960119 0.1854473 -0.8056413 0.1867904 2.7337050 0.7713007 -0.7460538 0.6818051 0.4329679 5 O -2.1051100 -0.6192646 0.1879613 -0.6039107 -1.5057368 -0.0787778 0.2067109 -0.0253106 -0.8744966 6 O -2.1051100 0.6192646 0.1879613 0.6039107 -1.5057368 0.0787778 0.2067109 0.0253106 -0.8744966 7 O -2.1051100 -0.6192646 0.1879613 -0.6039107 -1.5057368 -0.0787778 0.2067109 -0.0253106 -0.8744966 8 O -2.1051100 0.6192646 0.1879613 0.6039107 -1.5057368 0.0787778 0.2067109 0.0253106 -0.8744966 9 O -2.0874892 0.4580064 0.5463287 0.4492223 -1.3684161 -0.3483422 0.4789931 -0.2805269 -1.0125761 10 O -2.0874892 -0.4580064 0.5463287 -0.4492223 -1.3684161 0.3483422 0.4789931 0.2805269 -1.0125761 11 O -2.0874892 0.4580064 0.5463287 0.4492223 -1.3684161 -0.3483422 0.4789931 -0.2805269 -1.0125761 12 O -2.0874892 -0.4580064 0.5463287 -0.4492223 -1.3684161 0.3483422 0.4789931 0.2805269 -1.0125761 13 O -1.1647334 0.0003979 0.1028987 0.0276594 -2.3811337 0.4085858 0.0944572 0.3651396 -0.9763019 14 O -1.1647334 -0.0003979 0.1028987 -0.0276594 -2.3811337 -0.4085858 0.0944572 -0.3651396 -0.9763019 15 O -1.1647334 0.0003979 0.1028987 0.0276594 -2.3811337 0.4085858 0.0944572 0.3651396 -0.9763019 16 O -1.1647334 -0.0003979 0.1028987 -0.0276594 -2.3811337 -0.4085858 0.0944572 -0.3651396 -0.9763019 17 Rb 1.2919069 0.0520175 -0.0438915 0.0538879 1.2833251 0.0195344 -0.0619645 0.0397512 1.3454007 18 Rb 1.2919069 -0.0520175 -0.0438915 -0.0538879 1.2833251 -0.0195344 -0.0619645 -0.0397512 1.3454007 19 Rb 1.2919069 0.0520175 -0.0438915 0.0538879 1.2833251 0.0195344 -0.0619645 0.0397512 1.3454007 20 Rb 1.2919069 -0.0520175 -0.0438915 -0.0538879 1.2833251 -0.0195344 -0.0619645 -0.0397512 1.3454007 21 Rb 1.2694137 -0.0009603 0.0123441 0.0065365 1.2382566 -0.0383334 0.0278571 -0.0939389 1.0850059 22 Rb 1.2694137 0.0009603 0.0123441 -0.0065365 1.2382566 0.0383334 0.0278571 0.0939389 1.0850059 23 Rb 1.2694137 -0.0009603 0.0123441 0.0065365 1.2382566 -0.0383334 0.0278571 -0.0939389 1.0850059 24 Rb 1.2694137 0.0009603 0.0123441 -0.0065365 1.2382566 0.0383334 0.0278571 0.0939389 1.0850059 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 7 ] 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: 0.55, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 19.589 ( 0.000 0.000 0.000) 0.000 19.594 ( 0.000 0.000 0.000) 0.000 19.668 ( 0.000 0.000 0.000) 0.000 19.672 ( 0.000 0.000 0.000) 0.000 19.774 ( 0.000 0.000 0.000) 0.000 19.782 ( 0.000 0.000 0.000) 0.000 19.791 ( 0.000 0.000 0.000) 0.000 19.837 ( 0.000 0.000 0.000) 0.000 25.067 ( 0.000 0.000 0.000) 0.000 25.075 ( 0.000 0.000 0.000) 0.000 25.102 ( 0.000 0.000 0.000) 0.000 25.110 ( 0.000 0.000 0.000) 0.000 31.239 ( 0.000 0.000 0.000) 0.000 31.240 ( 0.000 0.000 0.000) 0.000 31.243 ( 0.000 0.000 0.000) 0.000 31.265 ( 0.000 0.000 0.000) 0.000 41.144 ( 0.000 0.000 0.000) 0.000 41.299 ( 0.000 0.000 0.000) 0.000 41.572 ( 0.000 0.000 0.000) 0.000 41.646 ( 0.000 0.000 0.000) 0.000 41.797 ( 0.000 0.000 0.000) 0.000 41.897 ( 0.000 0.000 0.000) 0.000 42.161 ( 0.000 0.000 0.000) 0.000 43.369 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( 14.905 0.000 3.315) 15.269 0.429 ( 22.496 0.000 -1.485) 22.545 0.778 ( 40.818 0.000 -7.562) 41.512 1.401 ( -0.530 0.000 0.657) 0.845 1.501 ( -5.519 0.000 -0.803) 5.577 1.672 ( 2.201 0.000 3.088) 3.792 1.724 ( -2.208 0.000 4.029) 4.594 1.738 ( 1.800 0.000 3.206) 3.677 1.918 ( 5.057 0.000 -3.635) 6.228 2.011 ( 2.871 0.000 5.585) 6.280 2.040 ( 1.599 0.000 -0.813) 1.794 2.126 ( -1.209 0.000 -0.077) 1.212 2.159 ( 1.815 0.000 -3.622) 4.051 2.253 ( 4.589 0.000 -2.757) 5.354 2.280 ( -0.661 0.000 2.701) 2.781 2.343 ( -0.905 0.000 4.426) 4.517 2.534 ( -0.174 0.000 -0.318) 0.363 2.548 ( 8.014 0.000 2.696) 8.455 2.841 ( 2.992 0.000 -1.353) 3.284 2.861 ( 4.198 0.000 2.850) 5.073 2.899 ( -2.301 0.000 -1.720) 2.873 2.901 ( -4.236 0.000 0.541) 4.270 3.068 ( -4.085 0.000 2.848) 4.979 3.207 ( -3.879 0.000 6.830) 7.855 3.211 ( -0.949 0.000 -2.461) 2.637 3.314 ( 0.641 0.000 2.178) 2.271 3.486 ( 1.165 0.000 2.418) 2.684 3.689 ( -1.612 0.000 0.480) 1.682 3.705 ( -0.753 0.000 1.565) 1.736 3.792 ( 0.202 0.000 -0.856) 0.880 3.931 ( 2.327 0.000 0.832) 2.471 3.959 ( 6.648 0.000 -3.362) 7.450 3.985 ( 2.909 0.000 -1.232) 3.159 4.158 ( 0.614 0.000 -2.533) 2.607 4.161 ( -0.842 0.000 -1.176) 1.446 4.266 ( 2.457 0.000 -2.595) 3.574 4.295 ( -3.655 0.000 18.967) 19.316 4.369 ( 4.521 0.000 -3.183) 5.530 4.408 ( 1.858 0.000 0.759) 2.007 4.531 ( -2.499 0.000 -0.316) 2.519 4.657 ( 3.106 0.000 -1.308) 3.370 4.681 ( -0.150 0.000 -0.753) 0.768 4.809 ( -1.357 0.000 1.094) 1.743 4.889 ( -0.152 0.000 0.090) 0.177 5.053 ( -2.238 0.000 3.663) 4.292 5.337 ( -1.696 0.000 0.507) 1.770 5.375 ( -4.319 0.000 0.614) 4.363 6.326 ( -4.686 0.000 -9.974) 11.020 19.591 ( 0.184 0.000 0.032) 0.187 19.600 ( 0.624 0.000 -0.315) 0.699 19.661 ( -0.569 0.000 -0.097) 0.577 19.674 ( -0.521 0.000 0.060) 0.525 19.774 ( -0.415 0.000 0.230) 0.475 19.788 ( 0.550 0.000 -1.188) 1.310 19.808 ( 1.600 0.000 0.169) 1.609 19.860 ( 1.848 0.000 -0.504) 1.916 25.076 ( 0.111 0.000 0.043) 0.119 25.080 ( -0.250 0.000 2.561) 2.573 25.103 ( 0.066 0.000 0.114) 0.132 25.109 ( -0.096 0.000 -0.256) 0.273 31.239 ( -0.043 0.000 -0.111) 0.119 31.239 ( -0.137 0.000 -0.189) 0.234 31.244 ( 0.107 0.000 -0.039) 0.114 31.264 ( -0.058 0.000 -0.548) 0.551 41.141 ( -0.483 0.000 1.067) 1.171 41.296 ( -0.467 0.000 -0.896) 1.011 41.559 ( -1.492 0.000 -0.012) 1.492 41.836 ( 4.460 0.000 -4.312) 6.204 41.916 ( 1.189 0.000 4.078) 4.248 42.159 ( -0.413 0.000 2.918) 2.947 43.301 ( -5.514 0.000 4.896) 7.374 43.858 ( 10.016 0.000 -81.754) 82.366 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 13.868 0.000 2.467) 14.086 0.832 ( 20.308 0.000 -2.108) 20.417 1.352 ( 0.039 0.000 2.218) 2.218 1.414 ( -3.331 0.000 1.139) 3.521 1.474 ( 26.880 0.000 -8.896) 28.314 1.668 ( -3.656 0.000 1.199) 3.848 1.759 ( 5.284 0.000 0.959) 5.371 1.823 ( 9.217 0.000 6.779) 11.441 2.015 ( 4.311 0.000 0.516) 4.342 2.035 ( -0.190 0.000 1.603) 1.614 2.063 ( 0.874 0.000 -1.187) 1.474 2.161 ( 3.300 0.000 4.881) 5.892 2.217 ( 5.120 0.000 -3.231) 6.055 2.277 ( -0.449 0.000 -0.334) 0.559 2.327 ( -1.132 0.000 6.436) 6.534 2.339 ( 4.817 0.000 -4.089) 6.319 2.514 ( -1.865 0.000 -1.857) 2.632 2.709 ( 4.412 0.000 3.682) 5.747 2.799 ( -3.606 0.000 -4.100) 5.461 2.811 ( -4.850 0.000 -0.590) 4.886 2.909 ( 3.963 0.000 -1.169) 4.132 2.971 ( -5.384 0.000 3.971) 6.690 2.984 ( 5.526 0.000 2.677) 6.140 3.155 ( -2.663 0.000 4.535) 5.259 3.225 ( 2.904 0.000 -3.583) 4.612 3.319 ( -0.629 0.000 1.825) 1.930 3.534 ( 2.939 0.000 3.215) 4.356 3.636 ( -4.211 0.000 1.246) 4.392 3.720 ( 1.724 0.000 1.265) 2.138 3.797 ( 0.727 0.000 -1.454) 1.626 3.967 ( 0.572 0.000 0.281) 0.638 4.027 ( 1.474 0.000 -0.826) 1.690 4.081 ( 6.500 0.000 -5.152) 8.294 4.132 ( -0.759 0.000 -1.720) 1.880 4.168 ( 1.061 0.000 -0.722) 1.283 4.268 ( -2.568 0.000 7.958) 8.362 4.324 ( -0.099 0.000 -3.258) 3.259 4.405 ( 3.258 0.000 -0.880) 3.375 4.438 ( 0.804 0.000 0.409) 0.902 4.532 ( 2.716 0.000 -5.083) 5.763 4.686 ( 1.063 0.000 0.215) 1.085 4.716 ( 1.070 0.000 -5.604) 5.705 4.803 ( 3.211 0.000 5.263) 6.165 4.880 ( -0.945 0.000 -0.352) 1.008 5.023 ( -1.293 0.000 3.869) 4.079 5.284 ( -4.854 0.000 1.569) 5.102 5.302 ( -2.012 0.000 1.568) 2.551 6.161 ( -11.261 0.000 -0.204) 11.263 19.594 ( 0.121 0.000 0.065) 0.137 19.613 ( 0.877 0.000 -0.467) 0.993 19.654 ( -0.008 0.000 -0.162) 0.162 19.662 ( -0.631 0.000 -0.005) 0.631 19.774 ( 0.317 0.000 0.161) 0.356 19.801 ( 1.132 0.000 -1.061) 1.552 19.844 ( 1.897 0.000 0.419) 1.943 19.891 ( 1.422 0.000 -0.551) 1.525 25.079 ( 0.176 0.000 0.089) 0.197 25.082 ( -0.023 0.000 1.124) 1.124 25.105 ( 0.095 0.000 0.164) 0.189 25.106 ( -0.146 0.000 -0.416) 0.441 31.237 ( -0.049 0.000 -0.245) 0.250 31.238 ( 0.037 0.000 -0.124) 0.130 31.247 ( 0.143 0.000 -0.056) 0.154 31.260 ( -0.130 0.000 -0.852) 0.862 41.132 ( -0.803 0.000 1.790) 1.961 41.271 ( -1.629 0.000 -2.220) 2.754 41.513 ( -3.262 0.000 -0.649) 3.326 41.931 ( 6.575 0.000 -6.969) 9.581 41.933 ( -1.875 0.000 6.904) 7.154 42.164 ( -0.052 0.000 5.291) 5.291 43.225 ( -1.549 0.000 0.696) 1.698 43.839 ( 2.725 0.000 -35.864) 35.967 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 12.052 0.000 1.217) 12.113 1.161 ( 14.007 0.000 -3.054) 14.336 1.294 ( -4.292 0.000 1.696) 4.615 1.385 ( -0.259 0.000 2.751) 2.764 1.618 ( -0.905 0.000 0.795) 1.204 1.771 ( 7.288 0.000 -0.667) 7.319 1.844 ( 4.520 0.000 2.671) 5.251 2.017 ( -1.458 0.000 -1.382) 2.009 2.062 ( 1.239 0.000 -3.072) 3.313 2.094 ( 3.018 0.000 3.388) 4.537 2.122 ( 5.546 0.000 0.829) 5.607 2.231 ( 2.795 0.000 5.467) 6.140 2.304 ( 3.215 0.000 0.459) 3.248 2.343 ( 3.327 0.000 4.967) 5.978 2.361 ( 16.492 0.000 -4.778) 17.171 2.392 ( 1.210 0.000 -3.569) 3.768 2.449 ( -4.308 0.000 -3.343) 5.453 2.650 ( -4.124 0.000 -3.499) 5.408 2.744 ( -1.293 0.000 -1.067) 1.676 2.804 ( -0.173 0.000 -0.522) 0.550 2.872 ( -5.177 0.000 5.020) 7.212 2.970 ( 1.385 0.000 -0.375) 1.435 3.114 ( 7.213 0.000 -0.773) 7.254 3.139 ( -0.903 0.000 6.605) 6.667 3.277 ( 2.730 0.000 -1.684) 3.207 3.302 ( -1.335 0.000 0.731) 1.522 3.521 ( -6.259 0.000 2.432) 6.715 3.621 ( 3.183 0.000 3.029) 4.394 3.753 ( 0.857 0.000 1.063) 1.366 3.818 ( 1.946 0.000 -1.438) 2.420 3.900 ( -6.168 0.000 -3.808) 7.249 4.072 ( 2.786 0.000 3.202) 4.244 4.136 ( 0.474 0.000 -3.748) 3.778 4.164 ( 3.928 0.000 1.245) 4.121 4.206 ( 1.212 0.000 1.000) 1.572 4.249 ( 0.865 0.000 1.795) 1.993 4.260 ( -3.329 0.000 -3.770) 5.030 4.434 ( -1.215 0.000 -0.477) 1.305 4.486 ( 3.112 0.000 -2.053) 3.728 4.559 ( 1.295 0.000 -3.172) 3.426 4.667 ( -2.961 0.000 -2.311) 3.757 4.698 ( -0.965 0.000 -0.300) 1.011 4.865 ( 0.270 0.000 -0.249) 0.367 4.978 ( 12.716 0.000 1.402) 12.793 5.039 ( 2.173 0.000 0.784) 2.310 5.218 ( -2.433 0.000 1.396) 2.805 5.276 ( -1.269 0.000 2.151) 2.497 5.907 ( -15.806 0.000 3.470) 16.183 19.598 ( 0.252 0.000 0.011) 0.253 19.627 ( 0.600 0.000 -0.337) 0.688 19.653 ( -0.296 0.000 -0.068) 0.304 19.659 ( 0.399 0.000 -0.095) 0.410 19.784 ( 0.582 0.000 0.120) 0.594 19.824 ( 1.429 0.000 -0.997) 1.743 19.875 ( 1.070 0.000 0.570) 1.212 19.909 ( 0.615 0.000 -0.435) 0.754 25.083 ( 0.171 0.000 0.126) 0.213 25.084 ( 0.040 0.000 0.559) 0.561 25.102 ( -0.138 0.000 -0.413) 0.436 25.107 ( 0.078 0.000 0.135) 0.156 31.237 ( 0.162 0.000 -0.151) 0.221 31.239 ( 0.103 0.000 -0.089) 0.136 31.249 ( 0.132 0.000 -0.022) 0.134 31.255 ( -0.207 0.000 -0.806) 0.832 41.122 ( -0.582 0.000 1.802) 1.893 41.234 ( -1.382 0.000 -2.661) 2.998 41.442 ( -3.727 0.000 -0.993) 3.857 41.860 ( -6.802 0.000 5.795) 8.936 42.034 ( 5.854 0.000 -7.556) 9.559 42.179 ( -0.042 0.000 6.254) 6.255 43.282 ( 6.847 0.000 2.796) 7.395 43.779 ( -2.225 0.000 -19.875) 19.999 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 8.333 0.000 -0.017) 8.333 1.205 ( -5.239 0.000 1.040) 5.341 1.304 ( 2.619 0.000 -1.228) 2.893 1.401 ( 0.522 0.000 0.605) 0.799 1.674 ( 5.327 0.000 1.635) 5.572 1.837 ( 1.045 0.000 1.092) 1.511 1.949 ( -4.437 0.000 -1.611) 4.721 1.955 ( 5.749 0.000 1.605) 5.969 2.046 ( -2.748 0.000 -2.519) 3.728 2.122 ( -0.594 0.000 0.134) 0.609 2.163 ( 2.986 0.000 2.910) 4.170 2.292 ( 1.837 0.000 1.731) 2.525 2.334 ( 0.574 0.000 1.387) 1.500 2.350 ( -3.048 0.000 1.113) 3.245 2.366 ( -0.669 0.000 0.645) 0.929 2.379 ( -1.981 0.000 -4.637) 5.043 2.619 ( 1.790 0.000 -0.966) 2.034 2.755 ( 2.261 0.000 -2.309) 3.232 2.768 ( 12.053 0.000 -4.140) 12.744 2.777 ( 5.191 0.000 -2.267) 5.664 2.804 ( -3.320 0.000 3.726) 4.990 2.959 ( -2.150 0.000 -0.767) 2.283 3.096 ( -6.053 0.000 7.041) 9.285 3.241 ( 5.857 0.000 -3.125) 6.639 3.277 ( -1.017 0.000 -0.147) 1.028 3.315 ( 1.897 0.000 0.574) 1.982 3.401 ( -6.576 0.000 2.843) 7.165 3.681 ( 2.251 0.000 2.135) 3.103 3.761 ( 0.102 0.000 0.512) 0.522 3.778 ( -4.622 0.000 -2.864) 5.437 3.847 ( 0.977 0.000 -0.510) 1.102 4.121 ( -0.653 0.000 -1.268) 1.426 4.126 ( 1.900 0.000 4.116) 4.533 4.197 ( -2.041 0.000 -3.451) 4.009 4.199 ( -0.637 0.000 0.891) 1.095 4.263 ( 4.446 0.000 0.757) 4.510 4.300 ( 2.373 0.000 -0.339) 2.398 4.399 ( -1.737 0.000 -0.439) 1.792 4.488 ( -1.609 0.000 -2.080) 2.629 4.572 ( 0.472 0.000 -0.423) 0.633 4.625 ( -1.007 0.000 -0.507) 1.128 4.663 ( -1.364 0.000 -0.101) 1.367 4.885 ( 1.073 0.000 -0.169) 1.086 5.082 ( 1.599 0.000 -0.408) 1.650 5.192 ( -0.534 0.000 1.353) 1.454 5.263 ( -0.496 0.000 1.097) 1.204 5.265 ( 17.060 0.000 -3.035) 17.327 5.593 ( -18.004 0.000 4.139) 18.474 19.603 ( 0.186 0.000 -0.013) 0.186 19.633 ( 0.096 0.000 -0.070) 0.119 19.651 ( 0.047 0.000 -0.084) 0.096 19.665 ( 0.187 0.000 -0.018) 0.188 19.793 ( 0.295 0.000 0.053) 0.300 19.845 ( 0.825 0.000 -0.541) 0.987 19.886 ( 0.122 0.000 0.385) 0.404 19.914 ( 0.113 0.000 -0.172) 0.206 25.086 ( 0.023 0.000 0.175) 0.176 25.086 ( 0.080 0.000 0.081) 0.114 25.099 ( -0.065 0.000 -0.194) 0.205 25.108 ( 0.029 0.000 0.051) 0.059 31.241 ( 0.056 0.000 -0.032) 0.065 31.242 ( 0.260 0.000 0.089) 0.275 31.249 ( -0.252 0.000 -0.466) 0.530 31.251 ( 0.055 0.000 0.000) 0.055 41.119 ( -0.131 0.000 0.815) 0.826 41.214 ( -0.290 0.000 -1.298) 1.330 41.384 ( -1.701 0.000 -0.516) 1.778 41.755 ( -3.937 0.000 2.204) 4.512 42.103 ( 2.656 0.000 -4.341) 5.089 42.187 ( -0.388 0.000 3.841) 3.861 43.456 ( 8.893 0.000 6.290) 10.893 43.658 ( -6.226 0.000 -11.289) 12.892 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( 0.000 14.351 0.000) 14.351 0.482 ( 0.000 23.887 0.000) 23.887 0.679 ( 0.000 28.467 0.000) 28.467 1.289 ( 0.000 -5.513 0.000) 5.513 1.610 ( 0.000 -0.367 0.000) 0.367 1.653 ( 0.000 0.356 0.000) 0.356 1.711 ( 0.000 -0.927 0.000) 0.927 1.727 ( 0.000 0.499 0.000) 0.499 1.792 ( 0.000 -12.200 0.000) 12.200 1.967 ( 0.000 0.770 0.000) 0.770 1.974 ( 0.000 5.648 0.000) 5.648 2.159 ( 0.000 1.625 0.000) 1.625 2.209 ( 0.000 0.374 0.000) 0.374 2.252 ( 0.000 -3.935 0.000) 3.935 2.297 ( 0.000 4.076 0.000) 4.076 2.340 ( 0.000 2.778 0.000) 2.778 2.500 ( 0.000 4.406 0.000) 4.406 2.513 ( 0.000 -3.225 0.000) 3.225 2.682 ( 0.000 -8.515 0.000) 8.515 2.801 ( 0.000 -1.567 0.000) 1.567 2.891 ( 0.000 -0.622 0.000) 0.622 2.926 ( 0.000 -1.348 0.000) 1.348 3.133 ( 0.000 1.694 0.000) 1.694 3.174 ( 0.000 -2.220 0.000) 2.220 3.289 ( 0.000 -0.528 0.000) 0.528 3.324 ( 0.000 6.317 0.000) 6.317 3.459 ( 0.000 -1.937 0.000) 1.937 3.662 ( 0.000 -3.630 0.000) 3.630 3.722 ( 0.000 0.992 0.000) 0.992 3.793 ( 0.000 -0.061 0.000) 0.061 3.891 ( 0.000 0.305 0.000) 0.305 3.924 ( 0.000 -1.983 0.000) 1.983 3.956 ( 0.000 0.647 0.000) 0.647 4.016 ( 0.000 -1.091 0.000) 1.091 4.195 ( 0.000 0.235 0.000) 0.235 4.260 ( 0.000 0.242 0.000) 0.242 4.373 ( 0.000 5.241 0.000) 5.241 4.403 ( 0.000 2.241 0.000) 2.241 4.514 ( 0.000 -1.980 0.000) 1.980 4.597 ( 0.000 -2.043 0.000) 2.043 4.629 ( 0.000 1.810 0.000) 1.810 4.633 ( 0.000 -0.968 0.000) 0.968 4.824 ( 0.000 -0.022 0.000) 0.022 4.836 ( 0.000 -4.105 0.000) 4.105 5.015 ( 0.000 0.040 0.000) 0.040 5.260 ( 0.000 -5.697 0.000) 5.697 5.593 ( 0.000 12.336 0.000) 12.336 6.239 ( 0.000 -5.354 0.000) 5.354 19.598 ( 0.000 0.510 0.000) 0.510 19.617 ( 0.000 0.891 0.000) 0.891 19.662 ( 0.000 -0.651 0.000) 0.651 19.668 ( 0.000 -0.391 0.000) 0.391 19.769 ( 0.000 -0.389 0.000) 0.389 19.775 ( 0.000 -0.480 0.000) 0.480 19.801 ( 0.000 0.685 0.000) 0.685 19.835 ( 0.000 -0.228 0.000) 0.228 25.068 ( 0.000 0.127 0.000) 0.127 25.079 ( 0.000 -0.108 0.000) 0.108 25.103 ( 0.000 0.060 0.000) 0.060 25.109 ( 0.000 -0.092 0.000) 0.092 31.237 ( 0.000 -0.076 0.000) 0.076 31.242 ( 0.000 -0.128 0.000) 0.128 31.246 ( 0.000 0.365 0.000) 0.365 31.264 ( 0.000 -0.121 0.000) 0.121 41.328 ( 0.000 2.736 0.000) 2.736 41.543 ( 0.000 -2.608 0.000) 2.608 41.656 ( 0.000 0.718 0.000) 0.718 41.681 ( 0.000 -0.346 0.000) 0.346 41.925 ( 0.000 2.697 0.000) 2.697 42.138 ( 0.000 -2.263 0.000) 2.263 43.386 ( 0.000 1.644 0.000) 1.644 43.538 ( 0.000 -1.841 0.000) 1.841 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 10.694 9.561 0.419) 14.351 0.666 ( 14.412 15.686 0.821) 21.318 0.984 ( 27.504 15.426 -5.389) 31.992 1.291 ( 0.728 -3.119 -1.269) 3.446 1.538 ( -4.598 -0.601 1.364) 4.834 1.671 ( 1.508 0.005 1.327) 2.009 1.716 ( 0.025 -0.017 3.841) 3.841 1.756 ( 1.231 0.985 2.929) 3.326 1.844 ( 4.309 -10.471 -1.210) 11.388 1.965 ( 2.231 2.308 -0.061) 3.211 2.039 ( 4.032 2.878 2.296) 5.460 2.138 ( 0.416 0.475 -1.727) 1.839 2.232 ( 0.449 0.989 0.972) 1.457 2.263 ( 1.442 -0.672 -0.105) 1.594 2.303 ( 1.020 5.288 -0.888) 5.459 2.343 ( -0.410 0.874 1.368) 1.675 2.513 ( 0.423 -2.905 0.151) 2.940 2.558 ( 5.737 1.489 1.267) 6.061 2.727 ( 4.534 -8.907 -1.424) 10.096 2.823 ( 0.583 -2.576 0.670) 2.725 2.856 ( -2.817 -3.023 0.540) 4.167 2.926 ( -1.006 0.216 -0.573) 1.178 3.116 ( -1.971 4.041 2.153) 4.985 3.173 ( -1.855 -2.218 3.948) 4.893 3.240 ( -2.288 0.412 -0.635) 2.410 3.336 ( 0.116 3.733 -0.228) 3.742 3.472 ( 1.135 -2.287 2.669) 3.694 3.645 ( -1.525 -3.692 0.838) 4.082 3.722 ( -0.513 1.167 1.507) 1.974 3.796 ( 0.274 0.122 -0.510) 0.592 3.915 ( 2.767 -1.044 -1.201) 3.192 3.962 ( 4.617 -1.046 -3.119) 5.669 4.011 ( 3.772 1.639 -0.253) 4.120 4.103 ( 4.440 -3.230 2.789) 6.158 4.185 ( -0.178 0.817 -1.624) 1.827 4.260 ( -0.916 1.618 -3.903) 4.323 4.321 ( -1.507 5.395 -0.464) 5.620 4.412 ( 1.339 0.494 -0.275) 1.453 4.503 ( 1.592 -0.362 -0.554) 1.724 4.551 ( -3.108 4.518 3.799) 6.671 4.599 ( -2.621 -2.037 -2.102) 3.929 4.694 ( 4.420 0.055 2.433) 5.046 4.840 ( 0.820 1.619 -0.866) 2.011 4.846 ( 0.721 -3.065 -0.758) 3.239 5.032 ( -0.313 -1.198 3.994) 4.182 5.236 ( -2.136 -5.617 0.156) 6.011 5.539 ( -5.556 11.111 1.597) 12.525 6.196 ( -4.536 -8.912 -2.570) 10.325 19.587 ( -0.538 0.062 0.079) 0.547 19.609 ( -0.112 0.882 -0.143) 0.900 19.655 ( -0.673 -0.776 -0.061) 1.029 19.669 ( -0.209 -0.491 -0.262) 0.595 19.768 ( 0.111 -0.258 0.011) 0.281 19.783 ( 0.932 -0.558 -0.162) 1.098 19.818 ( 1.477 1.017 -0.094) 1.796 19.865 ( 2.176 0.011 -0.481) 2.229 25.073 ( 0.233 -0.076 0.629) 0.675 25.080 ( 0.014 -0.080 0.631) 0.636 25.103 ( 0.053 0.040 0.041) 0.078 25.108 ( -0.081 -0.073 -0.204) 0.231 31.236 ( -0.050 -0.063 -0.116) 0.141 31.242 ( -0.039 -0.025 -0.228) 0.233 31.247 ( 0.071 0.274 0.029) 0.284 31.263 ( -0.047 -0.106 -0.489) 0.503 41.214 ( -8.106 3.898 -0.286) 8.999 41.425 ( -5.324 3.285 1.745) 6.495 41.593 ( -0.467 5.429 0.705) 5.494 41.822 ( 5.646 -1.378 -3.125) 6.599 41.947 ( 1.266 2.860 4.253) 5.279 42.140 ( -0.069 -1.909 2.948) 3.512 43.326 ( -5.019 2.363 1.836) 5.843 43.660 ( 11.515 -11.330 -42.066) 45.061 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 12.602 5.588 1.330) 13.849 0.967 ( 16.509 8.970 -0.757) 18.804 1.252 ( 0.246 -5.153 0.860) 5.230 1.449 ( 2.422 2.175 1.332) 3.517 1.550 ( 15.709 5.246 -6.452) 17.774 1.667 ( -2.374 0.353 0.694) 2.498 1.783 ( 2.175 1.546 1.982) 3.324 1.820 ( 11.148 -0.494 3.610) 11.729 1.922 ( 5.085 -5.418 1.189) 7.524 2.033 ( 3.532 0.366 4.506) 5.737 2.111 ( 2.451 3.196 0.707) 4.090 2.178 ( 4.228 -2.054 -2.246) 5.210 2.213 ( -1.860 3.417 0.621) 3.940 2.300 ( 2.444 1.100 1.176) 2.927 2.323 ( -0.497 1.565 0.748) 1.805 2.355 ( 2.820 1.216 -1.783) 3.552 2.507 ( -0.815 -1.302 -1.504) 2.150 2.691 ( 4.685 -1.389 2.072) 5.307 2.753 ( -2.876 -2.899 -1.989) 4.542 2.798 ( 1.061 -5.598 -2.118) 6.078 2.840 ( -2.504 -1.275 -0.707) 2.897 2.942 ( 5.161 -4.369 1.722) 6.978 3.066 ( -2.928 6.820 4.725) 8.798 3.142 ( -2.067 -0.839 4.098) 4.666 3.223 ( 0.381 -1.417 -0.770) 1.657 3.332 ( -0.320 2.435 -0.790) 2.580 3.517 ( 2.696 -3.123 3.508) 5.416 3.602 ( -3.597 -2.613 1.668) 4.748 3.734 ( 1.472 1.010 1.119) 2.107 3.805 ( 0.945 0.726 -1.414) 1.849 3.938 ( -0.622 -2.374 -1.237) 2.748 4.027 ( 2.217 -2.667 -4.098) 5.368 4.059 ( 1.498 -0.175 -0.501) 1.589 4.118 ( -2.789 0.141 -3.318) 4.337 4.205 ( 3.053 3.246 0.402) 4.474 4.236 ( 1.180 0.892 0.628) 1.607 4.391 ( 5.335 3.186 -2.250) 6.609 4.436 ( -0.649 -0.039 0.355) 0.741 4.463 ( -2.038 2.526 0.523) 3.288 4.565 ( 0.644 -4.390 -1.695) 4.749 4.592 ( 4.365 4.104 -3.442) 6.910 4.794 ( 3.556 -0.313 5.257) 6.354 4.827 ( 0.229 1.983 -3.933) 4.411 4.872 ( 2.039 2.065 -0.878) 3.032 5.014 ( -2.025 -0.789 5.264) 5.695 5.199 ( -1.377 -4.533 0.162) 4.741 5.420 ( -6.833 7.907 3.311) 10.962 6.055 ( -10.112 -9.400 1.463) 13.884 19.587 ( 0.403 -0.741 0.017) 0.843 19.608 ( 0.020 0.099 -0.101) 0.143 19.644 ( -0.329 -0.776 0.080) 0.847 19.663 ( -0.205 -0.233 -0.424) 0.525 19.777 ( 0.746 0.221 -0.084) 0.782 19.802 ( 1.107 -0.326 -0.669) 1.334 19.849 ( 1.712 1.083 0.238) 2.040 19.901 ( 1.669 0.493 -0.492) 1.809 25.078 ( 0.195 -0.046 0.336) 0.392 25.082 ( 0.058 -0.032 0.628) 0.631 25.105 ( 0.076 -0.007 0.071) 0.104 25.106 ( -0.119 -0.021 -0.319) 0.341 31.235 ( 0.040 -0.015 -0.161) 0.166 31.240 ( -0.003 0.053 -0.292) 0.297 31.249 ( 0.113 0.214 -0.016) 0.242 31.260 ( -0.080 -0.040 -0.762) 0.768 41.110 ( -3.248 0.664 -0.351) 3.333 41.337 ( -4.959 0.266 -0.159) 4.968 41.570 ( -2.243 7.309 0.498) 7.662 41.899 ( 1.930 -1.594 -2.096) 3.265 41.987 ( 2.458 3.353 2.852) 5.041 42.152 ( 0.437 -1.207 5.021) 5.182 43.257 ( -0.968 3.188 -1.207) 3.543 43.724 ( 4.641 -9.852 -28.317) 30.338 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 11.391 3.875 1.027) 12.076 1.215 ( 3.394 -4.475 0.620) 5.650 1.279 ( 8.104 8.865 -2.067) 12.188 1.441 ( -0.864 3.757 2.818) 4.775 1.631 ( -0.305 1.473 0.924) 1.765 1.750 ( 6.315 -2.049 -0.291) 6.645 1.819 ( 1.816 -2.305 2.500) 3.855 1.948 ( 3.062 -5.302 -1.358) 6.272 2.063 ( -0.610 -0.085 2.911) 2.975 2.128 ( 0.216 2.411 0.763) 2.538 2.165 ( 5.522 -2.443 1.842) 6.313 2.188 ( 0.769 2.883 -0.636) 3.051 2.281 ( 5.315 -0.539 0.655) 5.383 2.343 ( 0.194 -1.331 -0.642) 1.490 2.362 ( 2.975 -0.153 0.546) 3.028 2.431 ( 12.203 3.580 -2.942) 13.053 2.474 ( -0.021 2.658 -3.013) 4.018 2.669 ( -3.060 2.047 -3.507) 5.085 2.739 ( -1.341 -1.702 0.668) 2.268 2.765 ( -0.397 -2.580 -1.077) 2.824 2.843 ( 0.028 -2.801 1.222) 3.056 3.016 ( -0.422 2.743 1.903) 3.365 3.071 ( 3.344 -2.688 0.704) 4.348 3.141 ( 0.546 0.095 6.124) 6.149 3.237 ( 0.988 -3.852 0.836) 4.064 3.322 ( -0.374 2.275 -1.588) 2.799 3.512 ( -5.886 -2.088 2.564) 6.751 3.584 ( 3.020 -3.153 2.908) 5.245 3.765 ( 1.126 1.076 0.592) 1.666 3.824 ( 1.222 0.805 -2.478) 2.878 3.892 ( -3.212 -1.185 -1.600) 3.779 4.019 ( -2.225 -3.742 -2.269) 4.909 4.060 ( -0.373 -3.538 -4.072) 5.407 4.093 ( 1.607 -3.439 1.142) 3.964 4.262 ( 0.812 2.969 2.592) 4.024 4.263 ( 0.976 1.490 -0.461) 1.840 4.371 ( -0.474 4.070 -1.565) 4.386 4.456 ( 0.651 3.231 -1.133) 3.485 4.502 ( 3.339 1.582 -0.693) 3.759 4.609 ( 3.165 -1.112 -0.579) 3.405 4.633 ( 0.421 4.643 -3.429) 5.787 4.757 ( -3.721 2.439 -0.475) 4.475 4.870 ( 1.343 -0.086 -0.345) 1.389 4.969 ( 5.309 0.376 3.069) 6.144 5.028 ( 5.626 -1.723 -1.823) 6.160 5.195 ( 1.020 -1.593 0.494) 1.955 5.319 ( -4.664 4.216 4.228) 7.576 5.830 ( -14.203 -7.311 4.072) 16.485 19.598 ( 0.661 -0.336 0.028) 0.742 19.611 ( 0.361 -0.886 -0.056) 0.959 19.639 ( -0.349 -0.679 0.114) 0.772 19.663 ( 0.278 -0.127 -0.416) 0.516 19.791 ( 0.702 0.497 -0.089) 0.864 19.820 ( 0.923 -0.475 -0.711) 1.259 19.879 ( 1.283 1.021 0.285) 1.664 19.923 ( 0.819 0.841 -0.309) 1.214 25.082 ( 0.157 -0.031 0.230) 0.280 25.084 ( 0.069 -0.010 0.353) 0.360 25.103 ( -0.108 0.048 -0.323) 0.344 25.107 ( 0.066 -0.049 0.088) 0.121 31.237 ( 0.169 0.009 -0.126) 0.211 31.240 ( 0.061 0.029 -0.213) 0.224 31.251 ( 0.064 0.162 -0.080) 0.192 31.256 ( -0.062 0.122 -0.630) 0.645 41.074 ( -0.679 -1.916 -0.162) 2.039 41.238 ( -5.132 -2.309 -0.938) 5.706 41.521 ( -2.537 7.638 0.044) 8.049 41.852 ( -5.749 -1.083 3.119) 6.630 42.063 ( 4.864 2.617 -4.085) 6.870 42.177 ( 0.604 -0.295 5.497) 5.538 43.310 ( 6.291 2.930 1.022) 7.015 43.708 ( -0.473 -6.553 -17.158) 18.373 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 7.530 2.522 0.223) 7.945 1.193 ( -3.193 -0.853 0.729) 3.385 1.387 ( 1.705 6.868 -1.052) 7.154 1.440 ( -0.073 3.577 0.371) 3.597 1.707 ( 6.508 3.488 1.624) 7.560 1.802 ( 0.486 -3.337 0.742) 3.453 1.882 ( 2.362 -5.236 0.726) 5.789 1.969 ( -0.722 0.066 -2.259) 2.372 2.005 ( -3.364 -2.341 1.172) 4.262 2.137 ( 0.164 1.441 1.021) 1.773 2.177 ( 0.387 -6.060 2.345) 6.509 2.235 ( 1.440 3.496 -1.506) 4.070 2.308 ( -1.021 -3.148 -0.597) 3.363 2.357 ( -1.642 1.778 -1.353) 2.773 2.362 ( 1.701 0.302 1.838) 2.523 2.438 ( -0.332 1.493 -0.525) 1.617 2.610 ( -1.003 -0.394 -1.175) 1.594 2.716 ( -1.831 -4.792 -0.841) 5.198 2.773 ( 6.643 1.356 -3.389) 7.580 2.805 ( 12.817 3.053 -2.556) 13.421 2.832 ( -1.105 1.887 2.627) 3.418 2.977 ( -3.205 2.221 -0.748) 3.971 3.092 ( -4.353 -0.679 5.917) 7.377 3.172 ( 2.712 -4.367 -0.243) 5.147 3.261 ( 0.781 -2.675 0.709) 2.876 3.318 ( 0.849 0.362 -2.242) 2.425 3.407 ( -5.017 0.279 2.941) 5.823 3.640 ( 1.847 -4.044 1.656) 4.744 3.767 ( -1.233 0.538 -0.877) 1.606 3.798 ( -1.444 1.862 -1.802) 2.966 3.882 ( 1.706 1.753 0.946) 2.623 3.969 ( -2.275 -7.000 -1.508) 7.513 4.051 ( 0.167 -5.775 -1.446) 5.956 4.129 ( 1.085 -5.137 0.803) 5.312 4.249 ( -0.978 1.752 1.062) 2.271 4.269 ( 0.055 1.340 -0.462) 1.419 4.406 ( 2.211 3.625 0.197) 4.251 4.465 ( 0.637 6.888 -0.970) 6.985 4.538 ( 0.684 3.886 -0.108) 3.947 4.600 ( -1.899 2.392 -1.517) 3.410 4.657 ( 1.775 2.926 0.154) 3.426 4.693 ( -2.432 2.964 -0.556) 3.874 4.894 ( 0.955 0.756 -0.026) 1.219 5.016 ( 0.978 -4.632 0.551) 4.766 5.190 ( 5.928 -3.129 -3.969) 7.790 5.253 ( -2.125 -0.566 2.327) 3.201 5.282 ( 10.035 2.818 0.446) 10.432 5.551 ( -15.878 -3.921 4.134) 16.870 19.609 ( 0.359 0.406 0.047) 0.544 19.620 ( 0.527 -1.195 -0.069) 1.308 19.631 ( -0.486 -1.020 0.053) 1.131 19.668 ( 0.182 -0.162 -0.153) 0.288 19.801 ( 0.272 0.538 -0.029) 0.603 19.832 ( 0.383 -0.914 -0.309) 1.038 19.897 ( 0.508 1.179 0.110) 1.289 19.931 ( 0.140 1.069 -0.087) 1.082 25.085 ( 0.070 -0.037 0.138) 0.159 25.086 ( 0.024 -0.021 0.066) 0.073 25.101 ( -0.046 0.110 -0.139) 0.183 25.108 ( 0.026 -0.071 0.036) 0.084 31.240 ( 0.143 -0.064 -0.014) 0.157 31.241 ( 0.030 -0.043 -0.081) 0.097 31.250 ( -0.062 0.222 -0.183) 0.295 31.255 ( 0.021 0.258 -0.126) 0.288 41.081 ( 1.276 -2.749 0.154) 3.035 41.151 ( -3.426 -4.242 -0.700) 5.497 41.487 ( -0.946 7.572 -0.094) 7.632 41.758 ( -3.450 -0.139 1.465) 3.751 42.126 ( 2.268 2.065 -2.989) 4.283 42.194 ( 0.011 0.503 3.149) 3.189 43.460 ( 7.537 0.605 4.729) 8.918 43.625 ( -4.596 -3.106 -9.651) 11.132 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 14.462 0.000) 14.462 0.832 ( 0.000 -9.856 0.000) 9.856 0.945 ( 0.000 22.514 0.000) 22.514 1.369 ( 0.000 -19.529 0.000) 19.529 1.486 ( 0.000 19.166 0.000) 19.166 1.647 ( 0.000 -1.523 0.000) 1.523 1.709 ( 0.000 3.082 0.000) 3.082 1.733 ( 0.000 -0.107 0.000) 0.107 1.748 ( 0.000 4.218 0.000) 4.218 1.990 ( 0.000 -0.624 0.000) 0.624 2.041 ( 0.000 -0.254 0.000) 0.254 2.058 ( 0.000 -13.778 0.000) 13.778 2.203 ( 0.000 2.901 0.000) 2.901 2.225 ( 0.000 0.421 0.000) 0.421 2.321 ( 0.000 1.380 0.000) 1.380 2.401 ( 0.000 -6.046 0.000) 6.046 2.431 ( 0.000 4.923 0.000) 4.923 2.535 ( 0.000 -5.934 0.000) 5.934 2.649 ( 0.000 9.327 0.000) 9.327 2.810 ( 0.000 0.812 0.000) 0.812 2.825 ( 0.000 -5.125 0.000) 5.125 2.876 ( 0.000 -3.301 0.000) 3.301 3.149 ( 0.000 0.273 0.000) 0.273 3.163 ( 0.000 0.138 0.000) 0.138 3.302 ( 0.000 2.758 0.000) 2.758 3.387 ( 0.000 -4.582 0.000) 4.582 3.455 ( 0.000 6.151 0.000) 6.151 3.571 ( 0.000 -5.312 0.000) 5.312 3.750 ( 0.000 1.680 0.000) 1.680 3.781 ( 0.000 -1.206 0.000) 1.206 3.895 ( 0.000 0.058 0.000) 0.058 3.898 ( 0.000 -0.519 0.000) 0.519 3.973 ( 0.000 0.955 0.000) 0.955 3.993 ( 0.000 -1.105 0.000) 1.105 4.215 ( 0.000 1.561 0.000) 1.561 4.247 ( 0.000 -1.378 0.000) 1.378 4.468 ( 0.000 2.830 0.000) 2.830 4.468 ( 0.000 2.871 0.000) 2.871 4.514 ( 0.000 2.736 0.000) 2.736 4.566 ( 0.000 -0.429 0.000) 0.429 4.593 ( 0.000 -2.572 0.000) 2.572 4.624 ( 0.000 -2.737 0.000) 2.737 4.781 ( 0.000 -0.430 0.000) 0.430 4.804 ( 0.000 -1.780 0.000) 1.780 5.046 ( 0.000 3.356 0.000) 3.356 5.141 ( 0.000 -5.824 0.000) 5.824 5.853 ( 0.000 12.899 0.000) 12.899 6.085 ( 0.000 -9.971 0.000) 9.971 19.615 ( 0.000 1.221 0.000) 1.221 19.637 ( 0.000 1.046 0.000) 1.046 19.642 ( 0.000 -1.297 0.000) 1.297 19.656 ( 0.000 -0.804 0.000) 0.804 19.764 ( 0.000 -0.043 0.000) 0.043 19.767 ( 0.000 -0.325 0.000) 0.325 19.815 ( 0.000 0.694 0.000) 0.694 19.828 ( 0.000 -0.525 0.000) 0.525 25.072 ( 0.000 0.197 0.000) 0.197 25.076 ( 0.000 -0.185 0.000) 0.185 25.105 ( 0.000 0.113 0.000) 0.113 25.107 ( 0.000 -0.132 0.000) 0.132 31.237 ( 0.000 0.081 0.000) 0.081 31.239 ( 0.000 -0.158 0.000) 0.158 31.254 ( 0.000 0.353 0.000) 0.353 31.260 ( 0.000 -0.251 0.000) 0.251 41.398 ( 0.000 4.023 0.000) 4.023 41.478 ( 0.000 -3.788 0.000) 3.788 41.667 ( 0.000 0.433 0.000) 0.433 41.675 ( 0.000 -0.323 0.000) 0.323 41.995 ( 0.000 4.031 0.000) 4.031 42.075 ( 0.000 -3.802 0.000) 3.802 43.431 ( 0.000 2.766 0.000) 2.766 43.489 ( 0.000 -2.888 0.000) 2.888 ======================= Grid point 19 (12/96) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 5.930 12.236 -0.044) 13.597 0.838 ( 3.698 -5.172 0.287) 6.365 1.107 ( 11.391 10.418 0.732) 15.454 1.385 ( 1.462 -13.318 2.358) 13.604 1.566 ( 7.961 17.794 -5.954) 20.383 1.681 ( 1.310 0.943 -0.007) 1.614 1.713 ( -0.040 -0.682 0.570) 0.889 1.721 ( 3.568 -2.394 0.294) 4.307 1.801 ( 3.530 6.419 3.494) 8.116 1.998 ( 0.738 -0.059 2.710) 2.809 2.058 ( 2.963 -2.085 -1.605) 3.962 2.110 ( 4.480 -10.249 2.699) 11.507 2.209 ( 1.236 5.312 -0.250) 5.460 2.279 ( 3.966 -0.221 -0.158) 3.976 2.347 ( 1.725 0.142 1.040) 2.019 2.377 ( -1.189 -2.429 -1.730) 3.210 2.456 ( 1.604 2.712 0.293) 3.165 2.562 ( 2.721 -6.531 -0.422) 7.088 2.635 ( 0.171 5.942 -1.897) 6.240 2.762 ( -4.047 -5.713 -2.122) 7.316 2.825 ( 0.396 2.163 1.822) 2.856 2.891 ( -0.350 -3.411 0.777) 3.515 3.145 ( -1.018 -0.055 2.469) 2.671 3.163 ( -0.277 -0.815 0.769) 1.154 3.275 ( -2.079 5.079 1.857) 5.794 3.391 ( 0.199 -5.447 2.120) 5.848 3.439 ( -1.335 5.726 -0.213) 5.883 3.552 ( -1.515 -5.422 0.461) 5.648 3.754 ( 0.183 1.918 1.312) 2.331 3.787 ( 0.684 -1.143 0.442) 1.404 3.908 ( 1.389 0.397 -1.753) 2.272 3.929 ( 2.155 -1.649 -2.403) 3.625 4.037 ( 5.041 1.172 0.047) 5.176 4.061 ( 5.493 -1.356 0.427) 5.674 4.220 ( 1.390 2.426 -1.407) 3.129 4.264 ( 1.909 -1.433 -1.773) 2.974 4.429 ( -1.018 2.049 -0.604) 2.366 4.437 ( -4.452 3.085 -2.151) 5.828 4.490 ( -0.282 0.927 -0.463) 1.073 4.559 ( -3.489 -2.716 -1.423) 4.645 4.597 ( 3.164 2.177 -1.078) 3.989 4.673 ( 4.237 -3.516 -0.487) 5.528 4.814 ( 3.102 1.263 0.511) 3.388 4.851 ( 3.506 -1.222 -0.220) 3.720 5.041 ( -0.878 2.558 3.484) 4.411 5.124 ( -1.712 -5.331 1.461) 5.787 5.777 ( -7.632 12.191 1.975) 14.518 6.006 ( -7.650 -10.491 1.404) 13.059 19.599 ( -1.291 1.088 0.126) 1.692 19.622 ( -1.210 -0.473 -0.200) 1.315 19.639 ( -0.148 0.146 0.014) 0.208 19.655 ( -0.118 -0.903 -0.266) 0.949 19.767 ( 0.529 0.153 0.037) 0.551 19.773 ( 0.751 -0.432 0.095) 0.871 19.840 ( 2.100 1.056 -0.274) 2.366 19.857 ( 2.437 -0.674 -0.388) 2.558 25.074 ( 0.174 0.131 0.317) 0.385 25.077 ( 0.110 -0.154 0.263) 0.324 25.105 ( 0.011 0.083 -0.036) 0.091 25.107 ( -0.040 -0.103 -0.122) 0.165 31.236 ( -0.006 0.106 -0.125) 0.164 31.239 ( 0.024 -0.161 -0.170) 0.235 31.254 ( 0.013 0.322 -0.129) 0.347 31.259 ( -0.020 -0.226 -0.329) 0.399 41.300 ( -7.628 4.716 -0.279) 8.972 41.391 ( -6.316 -4.065 0.358) 7.520 41.709 ( 3.652 4.717 0.127) 5.967 41.781 ( 6.143 -2.729 -1.359) 6.858 42.016 ( 1.284 3.715 3.928) 5.557 42.087 ( 0.691 -3.260 3.294) 4.686 43.391 ( -2.695 4.107 -4.544) 6.691 43.492 ( 2.523 -6.272 -15.463) 16.877 ======================= Grid point 20 (13/96) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 9.707 8.923 0.432) 13.192 0.961 ( 7.975 -7.966 -0.072) 11.272 1.304 ( 9.307 8.003 1.816) 12.409 1.439 ( 3.481 -4.180 2.440) 5.962 1.645 ( 2.538 3.317 -1.180) 4.340 1.685 ( -1.396 0.042 0.674) 1.551 1.759 ( 3.491 -1.067 -1.061) 3.801 1.789 ( 1.395 -2.173 -0.934) 2.746 1.965 ( 12.118 7.230 1.930) 14.242 2.033 ( 1.721 -0.078 5.228) 5.505 2.155 ( 7.542 0.701 -0.077) 7.575 2.189 ( 2.827 1.024 0.105) 3.009 2.257 ( 2.154 2.290 0.279) 3.156 2.326 ( 1.256 1.385 -3.720) 4.164 2.350 ( -0.936 -1.723 0.848) 2.136 2.373 ( 1.712 -0.715 -2.226) 2.898 2.491 ( 2.222 3.883 0.073) 4.474 2.642 ( 5.937 -7.289 -0.619) 9.421 2.681 ( 4.456 -1.890 -1.259) 5.001 2.702 ( -0.944 -2.518 -1.708) 3.185 2.812 ( -2.734 0.080 1.143) 2.964 2.856 ( -2.389 -3.384 -0.041) 4.143 3.129 ( -1.072 0.395 4.385) 4.531 3.157 ( -0.755 -1.992 3.258) 3.893 3.243 ( -2.119 7.797 2.815) 8.556 3.397 ( -0.843 -3.890 0.616) 4.027 3.424 ( 0.376 1.792 1.343) 2.271 3.525 ( -1.434 -5.113 0.567) 5.340 3.772 ( 1.389 2.598 1.377) 3.252 3.812 ( 1.793 -0.719 0.176) 1.940 3.907 ( -0.981 0.036 -2.373) 2.569 3.947 ( 0.470 -3.594 -3.550) 5.074 4.085 ( -0.238 1.905 -2.362) 3.044 4.120 ( -0.828 -1.020 -4.671) 4.853 4.266 ( 0.966 2.593 0.246) 2.778 4.279 ( 1.588 1.902 1.237) 2.769 4.420 ( -0.764 -0.906 -1.278) 1.743 4.426 ( 3.659 -0.564 0.181) 3.706 4.501 ( 3.034 0.477 -1.261) 3.321 4.510 ( 0.765 0.807 -2.061) 2.342 4.667 ( 4.207 3.119 -3.392) 6.240 4.751 ( 4.037 -4.598 -2.637) 6.663 4.853 ( -0.153 3.619 2.610) 4.465 4.917 ( 3.339 -1.473 -0.996) 3.783 5.027 ( -1.561 3.408 5.329) 6.516 5.111 ( 0.628 -4.354 1.286) 4.583 5.609 ( -9.965 10.843 4.007) 15.262 5.837 ( -10.264 -11.679 3.553) 15.949 19.583 ( -0.306 0.490 0.217) 0.617 19.601 ( -0.733 -0.989 0.125) 1.237 19.639 ( 0.088 0.464 -0.193) 0.511 19.653 ( 0.003 -0.736 -0.446) 0.860 19.783 ( 1.015 0.373 -0.179) 1.096 19.792 ( 1.097 -0.550 -0.226) 1.248 19.879 ( 1.911 1.465 -0.171) 2.414 19.900 ( 1.999 -0.598 -0.367) 2.118 25.078 ( 0.192 0.071 0.313) 0.374 25.080 ( 0.141 -0.101 0.347) 0.388 25.105 ( 0.021 0.010 -0.048) 0.053 25.105 ( -0.054 -0.026 -0.176) 0.186 31.237 ( 0.074 0.134 -0.199) 0.251 31.239 ( 0.052 -0.126 -0.284) 0.315 31.254 ( 0.066 0.246 -0.189) 0.317 31.258 ( 0.009 -0.145 -0.497) 0.518 41.168 ( -5.822 4.616 -0.664) 7.459 41.271 ( -6.299 -5.147 -0.321) 8.141 41.737 ( -1.241 7.561 0.919) 7.717 41.850 ( 0.679 -3.785 -0.839) 3.936 42.056 ( 2.288 3.415 3.932) 5.689 42.116 ( 1.486 -2.453 4.474) 5.315 43.353 ( 1.053 6.561 -6.805) 9.512 43.517 ( 3.987 -9.774 -16.050) 19.210 ======================= Grid point 21 (14/96) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 9.381 6.269 0.630) 11.301 1.099 ( 5.891 -6.436 0.481) 8.738 1.467 ( 6.582 6.991 -0.511) 9.616 1.506 ( 2.379 2.036 2.275) 3.870 1.676 ( 1.529 2.436 1.725) 3.354 1.704 ( 3.208 -1.830 1.142) 3.865 1.772 ( -0.698 -1.133 -0.215) 1.348 1.832 ( 3.992 -5.799 -0.214) 7.043 2.061 ( -0.830 0.526 4.397) 4.505 2.091 ( 0.937 -2.386 0.640) 2.642 2.215 ( -1.950 4.314 -0.074) 4.735 2.256 ( 2.283 3.092 -2.261) 4.460 2.296 ( -3.039 -3.099 -1.458) 4.578 2.301 ( 4.698 0.011 -0.330) 4.709 2.365 ( 1.956 2.063 0.113) 2.845 2.436 ( 1.994 -3.055 -1.849) 4.090 2.601 ( 12.267 8.848 -3.313) 15.484 2.689 ( -1.884 -0.656 -1.373) 2.422 2.717 ( -4.930 0.049 0.306) 4.939 2.751 ( 4.647 2.458 -0.526) 5.283 2.771 ( 4.294 -4.426 -0.991) 6.246 2.884 ( 6.015 -9.944 0.560) 11.635 3.115 ( -2.356 1.247 4.495) 5.226 3.155 ( -0.669 -3.304 4.221) 5.402 3.216 ( -0.896 8.174 3.579) 8.968 3.364 ( -2.472 -2.582 -1.026) 3.719 3.436 ( -0.383 -0.616 2.167) 2.286 3.510 ( 0.087 -4.525 0.679) 4.577 3.799 ( 0.747 2.332 0.235) 2.460 3.842 ( 0.821 -0.816 -0.755) 1.381 3.873 ( -1.534 1.229 -3.142) 3.706 3.934 ( -0.885 -4.049 -3.901) 5.691 4.043 ( -3.820 0.254 -3.751) 5.360 4.051 ( -1.456 -0.849 -1.473) 2.238 4.272 ( -0.097 0.378 1.303) 1.360 4.287 ( -1.346 -0.571 1.830) 2.342 4.439 ( 2.875 3.807 -0.034) 4.771 4.502 ( 3.414 -1.541 0.488) 3.778 4.555 ( 3.366 3.739 -1.511) 5.253 4.587 ( 4.768 -0.168 -2.555) 5.412 4.725 ( 2.471 3.330 -3.489) 5.420 4.791 ( -0.096 -1.178 -2.919) 3.149 4.854 ( 1.452 1.668 1.543) 2.697 4.932 ( -1.180 -4.399 2.059) 4.998 5.058 ( 4.140 4.759 0.183) 6.310 5.147 ( 2.559 -3.561 0.979) 4.493 5.449 ( -7.651 8.707 5.087) 12.658 5.646 ( -10.960 -10.328 4.924) 15.844 19.587 ( 0.531 -0.131 0.259) 0.605 19.596 ( 0.068 -0.854 0.285) 0.903 19.639 ( -0.027 0.628 -0.271) 0.684 19.654 ( 0.221 -0.718 -0.465) 0.884 19.800 ( 0.789 0.413 -0.245) 0.924 19.809 ( 0.747 -0.532 -0.349) 0.981 19.909 ( 1.268 1.511 -0.049) 1.973 19.929 ( 1.111 -0.393 -0.205) 1.196 25.082 ( 0.140 0.040 0.208) 0.254 25.083 ( 0.103 -0.064 0.227) 0.257 25.104 ( -0.040 0.070 -0.155) 0.175 25.105 ( 0.026 -0.070 -0.017) 0.076 31.238 ( 0.116 0.090 -0.194) 0.243 31.240 ( 0.055 -0.075 -0.255) 0.271 31.255 ( 0.077 0.207 -0.199) 0.297 31.258 ( 0.071 -0.035 -0.373) 0.381 41.081 ( -3.199 2.505 -0.666) 4.117 41.158 ( -5.368 -4.670 -0.576) 7.138 41.685 ( -3.621 7.618 0.906) 8.484 41.803 ( -4.563 -4.093 1.084) 6.225 42.121 ( 3.454 2.720 0.527) 4.428 42.162 ( 2.037 -1.353 3.521) 4.287 43.401 ( 4.836 6.232 -4.003) 8.846 43.551 ( 2.574 -8.371 -10.865) 13.956 ======================= Grid point 22 (15/96) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 5.095 3.321 0.358) 6.092 1.167 ( 1.031 -1.917 0.407) 2.214 1.521 ( 0.445 5.085 1.558) 5.337 1.525 ( -0.013 4.170 -1.749) 4.522 1.720 ( 0.231 -2.878 0.543) 2.938 1.758 ( 1.291 -6.093 0.425) 6.243 1.821 ( 7.461 6.508 1.108) 9.962 1.933 ( 5.516 -3.971 0.526) 6.817 1.997 ( -5.989 1.507 0.830) 6.231 2.060 ( -3.491 -4.642 -0.108) 5.809 2.178 ( -1.080 2.379 0.021) 2.612 2.235 ( -1.800 -3.214 -0.850) 3.781 2.310 ( 2.595 3.306 -0.877) 4.293 2.373 ( 2.536 -1.441 0.630) 2.984 2.386 ( 0.371 1.747 1.068) 2.080 2.421 ( -1.724 -1.931 -1.937) 3.233 2.615 ( -3.193 0.497 -0.778) 3.324 2.634 ( -2.431 -2.302 -0.065) 3.348 2.808 ( 4.517 1.822 -2.290) 5.382 2.837 ( 2.479 -0.841 -0.412) 2.650 2.888 ( 10.044 4.869 -0.471) 11.172 2.990 ( 1.629 -4.058 0.123) 4.375 3.077 ( -0.847 1.968 1.901) 2.864 3.126 ( -2.821 -1.799 2.065) 3.932 3.231 ( 1.057 1.648 2.945) 3.537 3.298 ( -3.682 -2.973 -0.815) 4.802 3.426 ( -0.417 2.866 0.688) 2.977 3.527 ( 0.966 -6.434 0.764) 6.551 3.788 ( -1.207 1.623 -1.061) 2.284 3.832 ( -0.993 -2.004 -1.071) 2.480 3.850 ( -0.138 1.572 -0.986) 1.861 3.909 ( -0.662 -2.994 -1.893) 3.604 3.998 ( -0.581 1.050 -0.652) 1.366 4.043 ( 0.178 -3.268 0.096) 3.275 4.268 ( -0.513 0.363 1.138) 1.300 4.274 ( -0.138 -0.267 0.095) 0.316 4.487 ( 1.479 4.282 0.385) 4.547 4.545 ( 1.071 -0.539 0.008) 1.198 4.607 ( 2.152 3.207 -0.054) 3.862 4.634 ( 0.587 0.617 -1.809) 1.999 4.738 ( -0.073 4.373 -1.279) 4.556 4.767 ( -0.881 3.024 -0.428) 3.179 4.895 ( 1.566 -0.729 -0.218) 1.741 4.928 ( 0.317 -3.878 0.732) 3.959 5.145 ( 4.195 0.352 -1.886) 4.613 5.200 ( 2.056 -3.779 0.222) 4.307 5.364 ( -1.057 4.483 2.616) 5.297 5.458 ( -9.356 -4.930 3.562) 11.159 19.598 ( 0.399 -0.581 0.098) 0.712 19.601 ( 0.185 -0.716 0.215) 0.771 19.637 ( -0.103 1.042 -0.177) 1.062 19.657 ( 0.128 -0.865 -0.199) 0.897 19.810 ( 0.272 0.381 -0.111) 0.481 19.818 ( 0.249 -0.505 -0.166) 0.587 19.925 ( 0.466 1.351 -0.008) 1.429 19.942 ( 0.310 -0.163 -0.051) 0.353 25.085 ( 0.057 0.007 0.089) 0.106 25.085 ( 0.030 -0.038 0.053) 0.072 25.103 ( -0.013 0.136 -0.057) 0.148 25.106 ( 0.012 -0.117 -0.002) 0.117 31.239 ( 0.060 0.009 -0.086) 0.105 31.240 ( 0.018 -0.049 -0.096) 0.109 31.256 ( 0.032 0.257 -0.106) 0.279 31.258 ( 0.047 0.010 -0.109) 0.119 41.047 ( -0.192 -0.213 -0.284) 0.404 41.076 ( -2.974 -2.910 -0.267) 4.169 41.633 ( -1.633 6.449 0.327) 6.660 41.729 ( -2.547 -3.068 0.622) 4.036 42.171 ( 1.562 2.071 -0.495) 2.641 42.197 ( 0.811 -0.451 1.582) 1.834 43.487 ( 3.955 2.284 0.367) 4.582 43.551 ( -0.620 -3.853 -5.231) 6.526 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( -2.000 0.000 16.393) 16.515 0.320 ( -1.192 0.000 16.366) 16.410 0.508 ( -14.113 0.000 25.721) 29.339 1.477 ( -0.417 0.000 6.911) 6.923 1.530 ( 0.192 0.000 -4.060) 4.064 1.557 ( 3.523 0.000 -9.630) 10.254 1.699 ( -0.587 0.000 -12.327) 12.341 1.766 ( 4.857 0.000 2.431) 5.432 1.799 ( 1.144 0.000 3.835) 4.002 1.983 ( 2.093 0.000 -0.893) 2.276 2.050 ( -1.557 0.000 1.751) 2.343 2.128 ( -1.535 0.000 -2.254) 2.727 2.170 ( -1.081 0.000 1.997) 2.271 2.287 ( -2.666 0.000 6.459) 6.988 2.306 ( 0.616 0.000 3.450) 3.505 2.418 ( 6.546 0.000 1.724) 6.770 2.478 ( -0.458 0.000 2.116) 2.165 2.535 ( -0.191 0.000 0.085) 0.209 2.761 ( 2.807 0.000 -4.354) 5.180 2.832 ( -1.805 0.000 2.348) 2.962 2.921 ( 1.025 0.000 -4.270) 4.391 2.936 ( -0.668 0.000 0.396) 0.777 3.077 ( 2.057 0.000 -3.740) 4.269 3.218 ( -1.756 0.000 -0.960) 2.002 3.328 ( 2.963 0.000 1.311) 3.240 3.429 ( 2.955 0.000 2.751) 4.037 3.463 ( 3.216 0.000 -1.415) 3.514 3.570 ( 2.246 0.000 -12.124) 12.330 3.696 ( 3.091 0.000 -0.582) 3.146 3.792 ( -0.281 0.000 -0.348) 0.447 3.903 ( -4.106 0.000 1.793) 4.481 3.905 ( 0.713 0.000 0.465) 0.851 3.938 ( -1.771 0.000 -1.279) 2.185 4.058 ( 5.416 0.000 0.839) 5.481 4.147 ( -0.765 0.000 -2.835) 2.936 4.228 ( -0.784 0.000 -1.060) 1.318 4.347 ( -5.050 0.000 1.752) 5.345 4.381 ( 7.539 0.000 -0.404) 7.549 4.415 ( 16.304 0.000 0.786) 16.323 4.558 ( -0.027 0.000 -0.911) 0.911 4.632 ( -0.540 0.000 0.231) 0.588 4.674 ( -1.258 0.000 -1.019) 1.619 4.824 ( 0.071 0.000 0.439) 0.445 4.885 ( 1.383 0.000 -0.105) 1.387 5.101 ( 2.180 0.000 2.713) 3.481 5.367 ( -0.318 0.000 -1.749) 1.777 5.448 ( -0.251 0.000 8.980) 8.984 6.378 ( -16.383 0.000 -3.550) 16.763 19.589 ( -0.001 0.000 -0.001) 0.001 19.594 ( 0.092 0.000 0.011) 0.092 19.667 ( -0.066 0.000 -0.111) 0.129 19.671 ( 0.196 0.000 -0.099) 0.220 19.776 ( -1.044 0.000 -0.286) 1.082 19.780 ( 0.485 0.000 -0.187) 0.520 19.798 ( -0.096 0.000 0.565) 0.573 19.837 ( -0.723 0.000 -0.048) 0.725 25.076 ( 0.018 0.000 0.117) 0.118 25.101 ( -0.009 0.000 -0.171) 0.171 25.114 ( -0.317 0.000 0.360) 0.480 25.138 ( 3.310 0.000 0.097) 3.311 31.238 ( -0.055 0.000 -0.106) 0.120 31.240 ( -0.178 0.000 -0.031) 0.180 31.245 ( -0.111 0.000 0.124) 0.166 31.264 ( 0.233 0.000 -0.081) 0.246 41.152 ( 1.099 0.000 0.838) 1.382 41.293 ( -1.680 0.000 -0.678) 1.812 41.562 ( -0.898 0.000 -0.469) 1.013 41.762 ( -40.515 0.000 -2.856) 40.616 41.855 ( -4.076 0.000 5.150) 6.568 41.940 ( -12.966 0.000 3.316) 13.383 42.194 ( 2.610 0.000 3.672) 4.505 43.495 ( -15.816 0.000 -10.570) 19.023 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 8.465 0.000 13.699) 16.103 0.503 ( 15.725 0.000 8.110) 17.693 0.776 ( 29.844 0.000 7.643) 30.807 1.469 ( -4.499 0.000 -3.240) 5.544 1.476 ( -1.497 0.000 5.896) 6.084 1.627 ( 5.685 0.000 -5.330) 7.793 1.668 ( 0.833 0.000 -8.059) 8.102 1.826 ( 2.053 0.000 3.729) 4.257 1.923 ( 7.960 0.000 3.417) 8.662 2.036 ( 3.691 0.000 -1.712) 4.069 2.044 ( 0.238 0.000 0.167) 0.290 2.095 ( 0.719 0.000 -0.643) 0.964 2.127 ( -1.679 0.000 -0.033) 1.679 2.299 ( 1.350 0.000 6.145) 6.292 2.312 ( -0.918 0.000 3.328) 3.453 2.473 ( -0.738 0.000 5.574) 5.622 2.518 ( -1.417 0.000 -1.269) 1.903 2.590 ( 10.378 0.000 1.203) 10.448 2.832 ( 2.736 0.000 -4.079) 4.911 2.836 ( 1.466 0.000 1.238) 1.919 2.843 ( -6.353 0.000 -5.174) 8.194 2.911 ( -0.605 0.000 0.701) 0.926 3.088 ( 1.255 0.000 -2.313) 2.631 3.163 ( -3.521 0.000 -1.051) 3.675 3.350 ( -4.321 0.000 5.324) 6.857 3.363 ( -1.237 0.000 0.251) 1.262 3.528 ( 3.317 0.000 0.829) 3.419 3.576 ( 1.262 0.000 -9.723) 9.805 3.736 ( 0.561 0.000 1.887) 1.969 3.780 ( -0.708 0.000 0.215) 0.740 3.906 ( 3.827 0.000 -1.802) 4.230 3.930 ( 1.227 0.000 -1.800) 2.179 3.958 ( 4.023 0.000 -0.666) 4.078 4.101 ( -2.348 0.000 -4.385) 4.974 4.125 ( 2.190 0.000 -0.388) 2.224 4.215 ( 0.446 0.000 -1.885) 1.937 4.352 ( 3.630 0.000 -0.221) 3.637 4.422 ( 1.084 0.000 0.969) 1.454 4.497 ( -4.637 0.000 -3.268) 5.673 4.610 ( -2.841 0.000 3.969) 4.881 4.629 ( -2.358 0.000 3.579) 4.286 4.676 ( 1.114 0.000 0.065) 1.116 4.840 ( 1.363 0.000 1.191) 1.810 4.896 ( -0.551 0.000 1.033) 1.171 5.127 ( -0.174 0.000 3.070) 3.075 5.336 ( -2.067 0.000 -2.902) 3.563 5.431 ( -3.540 0.000 9.011) 9.682 6.168 ( -1.839 0.000 -4.872) 5.207 19.592 ( 0.246 0.000 -0.014) 0.246 19.593 ( 0.163 0.000 -0.115) 0.200 19.658 ( -0.657 0.000 -0.168) 0.678 19.671 ( -0.353 0.000 -0.237) 0.426 19.774 ( 0.445 0.000 -0.328) 0.553 19.779 ( -0.311 0.000 0.257) 0.404 19.815 ( 1.653 0.000 0.540) 1.738 19.848 ( 1.610 0.000 -0.615) 1.723 25.078 ( 0.116 0.000 0.114) 0.162 25.097 ( -0.251 0.000 -0.138) 0.286 25.108 ( -0.362 0.000 0.119) 0.381 25.138 ( -1.438 0.000 1.700) 2.227 31.236 ( -0.084 0.000 -0.119) 0.146 31.236 ( -0.228 0.000 -0.134) 0.264 31.245 ( 0.046 0.000 0.020) 0.050 31.257 ( -0.715 0.000 -0.011) 0.715 41.174 ( 0.714 0.000 2.411) 2.515 41.263 ( -1.315 0.000 -2.596) 2.910 41.543 ( -1.063 0.000 -1.993) 2.259 41.823 ( -0.339 0.000 3.247) 3.264 41.973 ( 8.889 0.000 -0.503) 8.903 42.250 ( 2.109 0.000 6.769) 7.090 42.310 ( 55.277 0.000 -40.258) 68.383 43.266 ( -8.457 0.000 -9.512) 12.728 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 10.247 0.000 9.543) 14.002 0.839 ( 17.161 0.000 2.557) 17.351 1.362 ( 27.939 0.000 -1.431) 27.976 1.397 ( -1.657 0.000 -3.824) 4.168 1.441 ( -3.515 0.000 5.440) 6.477 1.646 ( -1.826 0.000 -1.942) 2.666 1.735 ( 6.454 0.000 -2.376) 6.877 1.918 ( 7.270 0.000 2.096) 7.567 2.038 ( 0.999 0.000 2.679) 2.859 2.059 ( 2.292 0.000 -0.327) 2.316 2.072 ( 3.365 0.000 1.587) 3.720 2.148 ( 3.294 0.000 -1.115) 3.478 2.192 ( 7.235 0.000 -3.161) 7.895 2.291 ( -1.214 0.000 3.045) 3.278 2.334 ( 0.638 0.000 3.925) 3.977 2.477 ( -0.461 0.000 6.920) 6.936 2.477 ( -2.469 0.000 -1.096) 2.701 2.678 ( -6.984 0.000 -7.199) 10.030 2.756 ( 3.741 0.000 0.503) 3.775 2.781 ( -4.573 0.000 -2.714) 5.318 2.908 ( 5.130 0.000 1.350) 5.304 2.933 ( 0.517 0.000 -5.321) 5.346 3.082 ( -2.046 0.000 3.923) 4.425 3.164 ( 4.534 0.000 -2.331) 5.098 3.282 ( -2.122 0.000 5.893) 6.264 3.361 ( -0.847 0.000 1.408) 1.643 3.559 ( -0.291 0.000 -7.874) 7.879 3.603 ( 3.441 0.000 3.732) 5.076 3.755 ( 0.749 0.000 1.654) 1.815 3.782 ( 1.282 0.000 1.238) 1.782 3.924 ( -2.611 0.000 -3.803) 4.613 3.991 ( 4.954 0.000 -3.586) 6.116 4.036 ( 4.425 0.000 1.025) 4.543 4.078 ( 2.099 0.000 -3.551) 4.125 4.166 ( 2.302 0.000 0.553) 2.368 4.245 ( 0.834 0.000 -4.135) 4.218 4.383 ( 0.311 0.000 -2.504) 2.523 4.412 ( -2.751 0.000 2.057) 3.435 4.462 ( 3.058 0.000 -2.308) 3.831 4.500 ( -6.407 0.000 9.616) 11.555 4.630 ( 0.195 0.000 -2.778) 2.784 4.701 ( 1.170 0.000 0.912) 1.483 4.871 ( -2.027 0.000 0.034) 2.027 4.889 ( 3.710 0.000 3.333) 4.987 5.111 ( -2.131 0.000 4.129) 4.646 5.273 ( -3.314 0.000 -2.202) 3.978 5.376 ( -3.711 0.000 6.334) 7.341 6.107 ( -5.234 0.000 -5.279) 7.434 19.596 ( 0.166 0.000 0.088) 0.188 19.602 ( 0.815 0.000 -0.487) 0.950 19.650 ( -0.028 0.000 -0.262) 0.263 19.661 ( -0.575 0.000 -0.155) 0.596 19.779 ( 0.272 0.000 0.377) 0.465 19.786 ( 0.989 0.000 -0.516) 1.115 19.853 ( 1.966 0.000 0.517) 2.033 19.878 ( 1.502 0.000 -0.706) 1.660 25.081 ( 0.156 0.000 0.045) 0.162 25.092 ( -0.251 0.000 -0.021) 0.252 25.102 ( -0.242 0.000 0.022) 0.243 25.124 ( -0.553 0.000 1.459) 1.561 31.233 ( -0.041 0.000 -0.154) 0.160 31.235 ( 0.059 0.000 -0.146) 0.158 31.246 ( -0.369 0.000 -0.451) 0.583 31.247 ( 0.142 0.000 0.024) 0.144 41.187 ( -0.156 0.000 4.122) 4.125 41.218 ( -2.328 0.000 -3.230) 3.981 41.500 ( -3.177 0.000 -1.640) 3.576 41.857 ( 3.348 0.000 0.231) 3.356 42.058 ( -0.888 0.000 5.728) 5.797 42.308 ( 1.833 0.000 9.850) 10.019 43.006 ( 27.569 0.000 -35.974) 45.323 43.157 ( 1.865 0.000 -13.114) 13.247 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 9.717 0.000 7.239) 12.117 1.118 ( 10.787 0.000 -1.414) 10.879 1.372 ( -5.069 0.000 5.368) 7.383 1.397 ( 2.292 0.000 -2.425) 3.337 1.619 ( 0.401 0.000 0.319) 0.512 1.726 ( 10.522 0.000 -2.275) 10.766 1.849 ( 5.922 0.000 -1.774) 6.182 2.017 ( 1.147 0.000 -1.150) 1.625 2.023 ( -2.488 0.000 1.976) 3.177 2.139 ( -1.119 0.000 -0.711) 1.326 2.154 ( 3.863 0.000 2.802) 4.773 2.261 ( 15.111 0.000 -4.119) 15.663 2.289 ( 1.307 0.000 -1.494) 1.985 2.332 ( -0.295 0.000 -2.613) 2.629 2.334 ( 6.783 0.000 4.160) 7.957 2.440 ( -1.024 0.000 4.381) 4.499 2.465 ( -3.609 0.000 3.443) 4.988 2.567 ( -0.614 0.000 -3.019) 3.081 2.697 ( -2.792 0.000 -3.868) 4.771 2.777 ( -0.694 0.000 -1.222) 1.405 2.886 ( -3.088 0.000 -4.262) 5.263 2.974 ( 0.954 0.000 0.548) 1.100 3.096 ( 2.419 0.000 -0.354) 2.445 3.238 ( 3.367 0.000 -2.293) 4.074 3.290 ( -0.363 0.000 6.118) 6.129 3.340 ( -1.633 0.000 2.932) 3.356 3.515 ( -2.913 0.000 -2.979) 4.166 3.679 ( 3.324 0.000 3.214) 4.624 3.762 ( 0.183 0.000 0.053) 0.190 3.829 ( -5.439 0.000 -3.425) 6.427 3.840 ( 3.362 0.000 3.953) 5.189 4.053 ( 2.176 0.000 -3.830) 4.405 4.127 ( 1.641 0.000 -5.032) 5.293 4.131 ( 3.948 0.000 1.998) 4.425 4.217 ( 3.001 0.000 0.471) 3.038 4.218 ( 1.405 0.000 0.641) 1.544 4.346 ( -4.604 0.000 6.392) 7.878 4.426 ( -2.969 0.000 0.367) 2.992 4.428 ( 3.131 0.000 -3.802) 4.925 4.520 ( 2.990 0.000 -1.445) 3.321 4.618 ( -0.505 0.000 -1.825) 1.894 4.703 ( -1.756 0.000 0.508) 1.828 4.839 ( -0.361 0.000 -1.962) 1.995 5.001 ( 7.427 0.000 0.508) 7.444 5.091 ( -0.442 0.000 3.983) 4.007 5.221 ( -1.415 0.000 -0.742) 1.598 5.330 ( -2.488 0.000 3.533) 4.321 5.933 ( -12.208 0.000 -1.223) 12.269 19.599 ( 0.191 0.000 0.132) 0.232 19.618 ( 0.859 0.000 -0.503) 0.995 19.651 ( -0.302 0.000 -0.082) 0.313 19.655 ( 0.523 0.000 -0.241) 0.576 19.788 ( 0.502 0.000 0.367) 0.622 19.808 ( 1.439 0.000 -0.639) 1.575 19.885 ( 1.089 0.000 0.480) 1.190 19.899 ( 0.848 0.000 -0.555) 1.013 25.083 ( 0.086 0.000 -0.130) 0.156 25.088 ( -0.180 0.000 -0.076) 0.195 25.100 ( 0.003 0.000 0.196) 0.196 25.120 ( -0.277 0.000 0.989) 1.027 31.235 ( 0.300 0.000 -0.092) 0.314 31.237 ( 0.162 0.000 -0.121) 0.202 31.241 ( -0.034 0.000 -0.528) 0.529 31.250 ( 0.137 0.000 0.039) 0.143 41.176 ( -0.889 0.000 -3.188) 3.310 41.187 ( -1.114 0.000 5.029) 5.151 41.426 ( -3.688 0.000 -1.250) 3.894 41.937 ( 4.862 0.000 -1.539) 5.100 41.958 ( -9.477 0.000 4.107) 10.329 42.359 ( 0.465 0.000 12.175) 12.184 43.252 ( 11.184 0.000 -6.584) 12.978 43.304 ( 11.782 0.000 -25.857) 28.415 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 7.167 0.000 6.678) 9.796 1.224 ( 2.591 0.000 -4.700) 5.367 1.269 ( -7.059 0.000 4.635) 8.444 1.440 ( 1.685 0.000 0.515) 1.762 1.683 ( 3.839 0.000 0.156) 3.842 1.799 ( -0.499 0.000 -3.737) 3.771 1.953 ( 5.232 0.000 -1.887) 5.562 1.958 ( -3.393 0.000 2.126) 4.004 2.002 ( -1.904 0.000 -1.555) 2.458 2.120 ( 0.144 0.000 -0.853) 0.865 2.195 ( -2.922 0.000 -0.238) 2.932 2.279 ( 3.538 0.000 0.537) 3.579 2.310 ( -2.812 0.000 -2.526) 3.780 2.344 ( 0.920 0.000 0.345) 0.982 2.386 ( -3.157 0.000 0.359) 3.177 2.457 ( 0.640 0.000 6.958) 6.988 2.583 ( 3.119 0.000 -1.575) 3.494 2.669 ( 0.825 0.000 -6.723) 6.773 2.687 ( 16.255 0.000 -3.339) 16.595 2.763 ( 1.258 0.000 0.267) 1.286 2.821 ( -2.982 0.000 -1.997) 3.589 2.970 ( -1.010 0.000 1.592) 1.885 3.156 ( 4.627 0.000 -4.860) 6.710 3.230 ( -8.478 0.000 5.623) 10.173 3.282 ( 2.227 0.000 -3.496) 4.145 3.322 ( -0.956 0.000 4.371) 4.474 3.427 ( -6.208 0.000 -0.652) 6.242 3.723 ( -2.720 0.000 0.476) 2.761 3.755 ( 2.286 0.000 1.863) 2.949 3.762 ( -0.321 0.000 0.249) 0.407 3.898 ( 0.956 0.000 4.940) 5.032 4.072 ( 1.713 0.000 -3.085) 3.528 4.084 ( -2.369 0.000 -5.813) 6.277 4.194 ( 2.066 0.000 0.802) 2.216 4.252 ( -1.542 0.000 3.285) 3.629 4.305 ( 2.627 0.000 3.036) 4.015 4.306 ( 0.880 0.000 1.749) 1.958 4.390 ( -0.743 0.000 -0.477) 0.883 4.462 ( 2.574 0.000 -0.567) 2.636 4.557 ( 1.138 0.000 -1.161) 1.626 4.611 ( 0.169 0.000 -0.685) 0.705 4.662 ( -1.305 0.000 -0.076) 1.308 4.849 ( 1.501 0.000 -3.086) 3.432 5.110 ( 0.996 0.000 3.179) 3.332 5.112 ( 2.483 0.000 -6.284) 6.757 5.272 ( 9.062 0.000 0.953) 9.112 5.293 ( -2.243 0.000 1.846) 2.905 5.655 ( -16.721 0.000 1.687) 16.806 19.603 ( 0.176 0.000 0.110) 0.207 19.629 ( 0.335 0.000 -0.322) 0.464 19.650 ( 0.131 0.000 -0.029) 0.135 19.663 ( 0.264 0.000 -0.148) 0.302 19.796 ( 0.153 0.000 0.270) 0.310 19.834 ( 1.374 0.000 -0.575) 1.489 19.894 ( -0.216 0.000 0.386) 0.443 19.910 ( 0.458 0.000 -0.285) 0.540 25.083 ( 0.001 0.000 -0.236) 0.236 25.084 ( -0.196 0.000 -0.211) 0.288 25.103 ( 0.186 0.000 0.455) 0.491 25.117 ( -0.236 0.000 0.684) 0.723 31.239 ( 0.096 0.000 -0.267) 0.284 31.240 ( 0.119 0.000 -0.082) 0.144 31.244 ( 0.547 0.000 0.015) 0.547 31.251 ( 0.041 0.000 0.021) 0.047 41.165 ( -2.314 0.000 3.688) 4.354 41.179 ( 1.833 0.000 -2.141) 2.818 41.381 ( -0.406 0.000 0.245) 0.474 41.790 ( -7.574 0.000 1.267) 7.680 42.018 ( 3.781 0.000 -1.710) 4.149 42.375 ( -2.112 0.000 13.105) 13.274 43.331 ( 0.802 0.000 -18.664) 18.681 43.523 ( 14.161 0.000 -2.428) 14.368 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -10.396 0.000 4.549) 11.347 1.243 ( 1.324 0.000 -4.566) 4.755 1.253 ( 4.323 0.000 6.234) 7.586 1.456 ( -1.478 0.000 2.953) 3.303 1.629 ( -7.388 0.000 -1.638) 7.568 1.750 ( -2.358 0.000 -6.821) 7.217 1.912 ( -5.989 0.000 -3.501) 6.938 1.988 ( 4.338 0.000 0.461) 4.362 2.038 ( 3.205 0.000 -2.891) 4.316 2.111 ( -4.453 0.000 -1.078) 4.582 2.145 ( 2.102 0.000 2.400) 3.191 2.232 ( -4.053 0.000 -2.361) 4.691 2.313 ( -3.178 0.000 -0.084) 3.179 2.375 ( -0.262 0.000 1.326) 1.351 2.384 ( 5.685 0.000 2.689) 6.289 2.483 ( 0.476 0.000 5.507) 5.528 2.604 ( 1.762 0.000 -1.734) 2.472 2.682 ( 2.526 0.000 -8.543) 8.909 2.763 ( 0.782 0.000 -3.814) 3.893 2.764 ( -2.412 0.000 -1.250) 2.717 2.877 ( -12.654 0.000 5.814) 13.926 2.972 ( 7.053 0.000 0.578) 7.076 3.055 ( -4.361 0.000 3.430) 5.548 3.236 ( 1.954 0.000 -4.462) 4.871 3.287 ( -4.008 0.000 -1.654) 4.336 3.319 ( 1.893 0.000 -4.961) 5.310 3.333 ( 0.534 0.000 5.354) 5.380 3.661 ( -3.578 0.000 -0.239) 3.586 3.752 ( -0.660 0.000 0.204) 0.691 3.846 ( 5.633 0.000 3.837) 6.816 3.893 ( -2.077 0.000 2.782) 3.472 4.039 ( -0.825 0.000 -4.200) 4.280 4.111 ( 2.533 0.000 -1.379) 2.885 4.185 ( -3.311 0.000 -3.189) 4.597 4.223 ( -1.362 0.000 2.312) 2.683 4.302 ( -0.770 0.000 2.714) 2.822 4.319 ( -1.020 0.000 1.877) 2.136 4.406 ( 2.102 0.000 0.222) 2.114 4.528 ( 1.086 0.000 1.273) 1.674 4.581 ( 2.768 0.000 0.771) 2.873 4.628 ( 1.929 0.000 -0.085) 1.930 4.671 ( 2.221 0.000 0.861) 2.382 4.864 ( 0.437 0.000 -1.693) 1.748 5.096 ( -1.822 0.000 -6.885) 7.122 5.117 ( -1.668 0.000 2.926) 3.369 5.257 ( -1.495 0.000 0.634) 1.624 5.333 ( -15.570 0.000 2.267) 15.734 5.523 ( 15.245 0.000 -2.728) 15.487 19.604 ( -0.175 0.000 0.135) 0.221 19.631 ( 0.041 0.000 -0.239) 0.243 19.653 ( 0.063 0.000 0.052) 0.082 19.664 ( -0.144 0.000 -0.125) 0.191 19.794 ( -0.420 0.000 0.133) 0.440 19.851 ( 0.360 0.000 -0.012) 0.360 19.881 ( -0.974 0.000 -0.006) 0.974 19.916 ( 0.202 0.000 0.002) 0.202 25.079 ( -0.250 0.000 -0.345) 0.426 25.082 ( -0.051 0.000 -0.182) 0.189 25.108 ( 0.219 0.000 0.624) 0.662 25.114 ( -0.241 0.000 0.462) 0.521 31.240 ( -0.007 0.000 -0.064) 0.064 31.240 ( 0.026 0.000 -0.012) 0.028 31.251 ( -0.034 0.000 0.018) 0.038 31.256 ( 0.586 0.000 0.205) 0.621 41.127 ( -1.956 0.000 1.049) 2.220 41.225 ( 2.885 0.000 -0.073) 2.885 41.413 ( 3.015 0.000 3.019) 4.266 41.712 ( -0.317 0.000 -2.187) 2.209 42.065 ( 1.649 0.000 -1.595) 2.294 42.338 ( -5.178 0.000 12.607) 13.629 43.251 ( -4.182 0.000 -14.415) 15.009 43.771 ( 12.087 0.000 -0.196) 12.088 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -13.144 0.000 4.374) 13.852 1.230 ( -8.391 0.000 3.326) 9.027 1.332 ( -4.641 0.000 -1.331) 4.828 1.336 ( 2.696 0.000 6.356) 6.904 1.572 ( 1.442 0.000 -3.773) 4.039 1.687 ( -3.002 0.000 -8.104) 8.642 1.778 ( -5.859 0.000 -4.995) 7.699 2.010 ( -2.279 0.000 -5.640) 6.083 2.054 ( -0.807 0.000 1.864) 2.032 2.078 ( 1.962 0.000 -1.545) 2.497 2.156 ( -5.426 0.000 3.485) 6.448 2.162 ( -3.193 0.000 -1.081) 3.371 2.251 ( -3.444 0.000 -0.446) 3.473 2.329 ( -5.386 0.000 1.273) 5.534 2.461 ( 0.380 0.000 3.549) 3.570 2.498 ( -19.641 0.000 8.321) 21.330 2.511 ( 1.795 0.000 2.568) 3.133 2.659 ( 2.305 0.000 -3.104) 3.866 2.733 ( 5.334 0.000 -8.587) 10.109 2.745 ( 1.471 0.000 -0.638) 1.603 2.771 ( 1.856 0.000 -2.366) 3.008 3.008 ( -2.367 0.000 3.909) 4.570 3.101 ( 3.476 0.000 1.881) 3.952 3.104 ( -8.388 0.000 -1.796) 8.578 3.305 ( 0.010 0.000 1.168) 1.168 3.349 ( -0.286 0.000 5.702) 5.710 3.394 ( 6.890 0.000 -11.083) 13.050 3.578 ( -4.799 0.000 -1.244) 4.958 3.739 ( -1.042 0.000 -0.169) 1.055 3.850 ( -2.518 0.000 1.136) 2.762 3.945 ( 2.390 0.000 -0.394) 2.422 4.039 ( 1.110 0.000 0.570) 1.248 4.110 ( -1.210 0.000 -3.411) 3.619 4.146 ( 1.242 0.000 -1.767) 2.160 4.211 ( -0.615 0.000 1.172) 1.324 4.281 ( -3.886 0.000 3.667) 5.343 4.310 ( 0.863 0.000 1.010) 1.328 4.435 ( 0.434 0.000 -0.496) 0.660 4.506 ( -2.823 0.000 0.257) 2.835 4.635 ( 2.345 0.000 3.573) 4.274 4.685 ( 3.643 0.000 -0.338) 3.659 4.727 ( 1.178 0.000 2.776) 3.015 4.858 ( -0.461 0.000 -0.073) 0.467 4.962 ( -10.552 0.000 -0.516) 10.564 5.057 ( -4.622 0.000 2.095) 5.075 5.168 ( -0.877 0.000 -3.140) 3.260 5.255 ( 1.374 0.000 0.455) 1.448 5.823 ( 16.831 0.000 -4.836) 17.513 19.599 ( -0.328 0.000 0.137) 0.355 19.628 ( -0.363 0.000 -0.216) 0.422 19.654 ( 0.149 0.000 -0.018) 0.150 19.659 ( -0.294 0.000 -0.100) 0.311 19.783 ( -0.644 0.000 0.060) 0.646 19.843 ( -1.176 0.000 0.961) 1.519 19.863 ( -0.986 0.000 -0.672) 1.193 19.914 ( -0.447 0.000 0.146) 0.470 25.073 ( -0.273 0.000 -0.396) 0.481 25.081 ( -0.100 0.000 -0.079) 0.128 25.110 ( -0.229 0.000 0.299) 0.376 25.114 ( 0.159 0.000 0.717) 0.734 31.239 ( -0.072 0.000 -0.098) 0.122 31.241 ( 0.001 0.000 0.206) 0.206 31.251 ( -0.058 0.000 0.095) 0.111 31.266 ( 0.340 0.000 0.208) 0.399 41.105 ( -0.330 0.000 -0.392) 0.512 41.274 ( 1.982 0.000 1.483) 2.475 41.493 ( 3.868 0.000 4.990) 6.314 41.749 ( 4.168 0.000 -5.535) 6.929 42.077 ( 0.250 0.000 -1.693) 1.711 42.242 ( -7.788 0.000 10.784) 13.303 43.142 ( -3.035 0.000 -11.577) 11.968 43.973 ( 9.393 0.000 -0.465) 9.404 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -13.495 0.000 6.483) 14.971 0.925 ( -20.247 0.000 7.409) 21.560 1.377 ( 5.690 0.000 -2.640) 6.272 1.377 ( -1.317 0.000 5.161) 5.326 1.575 ( -6.950 0.000 -5.521) 8.876 1.596 ( 1.676 0.000 -5.268) 5.528 1.692 ( -6.801 0.000 -4.222) 8.004 1.788 ( -22.547 0.000 9.262) 24.375 1.945 ( -2.486 0.000 -5.685) 6.205 2.035 ( -3.489 0.000 -0.474) 3.521 2.104 ( 0.508 0.000 0.289) 0.585 2.106 ( -0.391 0.000 -0.159) 0.422 2.161 ( -3.413 0.000 -3.171) 4.658 2.274 ( -1.370 0.000 3.449) 3.711 2.372 ( -1.251 0.000 4.147) 4.331 2.431 ( -4.025 0.000 4.925) 6.360 2.535 ( 0.344 0.000 0.187) 0.391 2.607 ( -5.290 0.000 -6.172) 8.129 2.803 ( 3.306 0.000 -2.619) 4.218 2.847 ( 8.144 0.000 -5.148) 9.635 2.851 ( 4.538 0.000 1.503) 4.781 2.947 ( -4.305 0.000 3.152) 5.336 2.956 ( -5.948 0.000 -1.988) 6.271 3.155 ( 2.097 0.000 3.202) 3.828 3.288 ( -2.004 0.000 2.625) 3.302 3.356 ( -0.422 0.000 6.077) 6.092 3.463 ( 0.202 0.000 -8.199) 8.202 3.511 ( 1.588 0.000 -7.119) 7.294 3.705 ( -2.104 0.000 -0.416) 2.144 3.815 ( -1.321 0.000 0.380) 1.375 3.935 ( -1.192 0.000 -1.999) 2.327 4.033 ( -1.292 0.000 -1.694) 2.131 4.138 ( 1.303 0.000 -0.215) 1.321 4.139 ( -1.632 0.000 -3.743) 4.084 4.178 ( -7.264 0.000 4.644) 8.621 4.208 ( -0.367 0.000 0.802) 0.882 4.357 ( 3.267 0.000 0.316) 3.283 4.419 ( -1.388 0.000 -1.948) 2.392 4.432 ( -3.872 0.000 1.257) 4.071 4.659 ( -5.871 0.000 7.331) 9.392 4.703 ( -0.055 0.000 2.126) 2.127 4.708 ( -1.673 0.000 -3.858) 4.205 4.833 ( -2.672 0.000 6.280) 6.825 4.858 ( 0.505 0.000 -2.441) 2.492 5.000 ( -0.733 0.000 1.477) 1.648 5.213 ( 5.762 0.000 -5.332) 7.850 5.313 ( 4.034 0.000 2.742) 4.878 6.122 ( 15.810 0.000 -3.837) 16.269 19.594 ( -0.193 0.000 0.061) 0.202 19.615 ( -0.893 0.000 -0.274) 0.934 19.655 ( 0.060 0.000 -0.029) 0.066 19.660 ( 0.528 0.000 -0.215) 0.570 19.773 ( -0.415 0.000 0.008) 0.415 19.822 ( -1.224 0.000 0.934) 1.540 19.837 ( -1.579 0.000 -0.394) 1.627 19.898 ( -1.359 0.000 0.148) 1.367 25.068 ( -0.143 0.000 -0.147) 0.205 25.078 ( -0.118 0.000 0.015) 0.119 25.107 ( -0.180 0.000 0.192) 0.263 25.117 ( 0.027 0.000 0.712) 0.713 31.238 ( -0.016 0.000 -0.119) 0.120 31.242 ( 0.037 0.000 0.254) 0.257 31.250 ( -0.101 0.000 0.206) 0.230 31.269 ( -0.050 0.000 -0.074) 0.089 41.110 ( 0.858 0.000 -0.684) 1.097 41.303 ( 0.665 0.000 1.142) 1.322 41.562 ( 1.740 0.000 5.101) 5.390 41.805 ( 2.844 0.000 -6.289) 6.902 42.070 ( -3.094 0.000 3.484) 4.659 42.118 ( -4.552 0.000 3.661) 5.842 43.095 ( 0.342 0.000 -12.514) 12.518 44.114 ( 5.519 0.000 -7.324) 9.171 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -10.756 0.000 11.548) 15.781 0.557 ( -19.846 0.000 10.798) 22.593 1.008 ( -34.884 0.000 14.870) 37.921 1.469 ( -1.144 0.000 6.898) 6.992 1.489 ( 5.544 0.000 -3.588) 6.603 1.543 ( -0.203 0.000 -9.831) 9.833 1.619 ( 3.403 0.000 -4.278) 5.466 1.738 ( 2.350 0.000 4.143) 4.763 1.861 ( -5.984 0.000 -8.383) 10.299 1.965 ( -0.885 0.000 0.008) 0.885 2.087 ( -2.486 0.000 3.255) 4.095 2.121 ( 0.529 0.000 -4.782) 4.811 2.145 ( 2.471 0.000 2.044) 3.207 2.277 ( 0.692 0.000 4.591) 4.643 2.354 ( -5.088 0.000 6.175) 8.001 2.361 ( -0.735 0.000 1.415) 1.595 2.503 ( -3.185 0.000 -1.366) 3.465 2.535 ( -0.107 0.000 -0.041) 0.115 2.781 ( -2.975 0.000 -5.087) 5.893 2.877 ( -3.054 0.000 2.424) 3.899 2.898 ( -0.089 0.000 0.549) 0.556 2.924 ( 1.432 0.000 0.323) 1.468 2.994 ( 7.524 0.000 -4.654) 8.847 3.219 ( 4.265 0.000 4.429) 6.148 3.250 ( -2.184 0.000 1.624) 2.722 3.362 ( -0.310 0.000 7.030) 7.037 3.434 ( 0.220 0.000 -3.658) 3.664 3.548 ( 3.227 0.000 -12.394) 12.807 3.678 ( -0.223 0.000 -1.112) 1.135 3.799 ( -0.470 0.000 -0.134) 0.489 3.915 ( -0.911 0.000 -0.705) 1.152 3.989 ( -2.763 0.000 -1.000) 2.938 4.027 ( -8.479 0.000 3.100) 9.028 4.069 ( -4.425 0.000 -4.125) 6.049 4.144 ( 0.549 0.000 -2.243) 2.310 4.226 ( 1.997 0.000 2.474) 3.179 4.293 ( -5.600 0.000 0.706) 5.644 4.389 ( -0.923 0.000 -1.376) 1.657 4.475 ( -2.727 0.000 5.476) 6.117 4.520 ( -1.904 0.000 -0.810) 2.069 4.658 ( -2.098 0.000 -0.678) 2.204 4.705 ( -1.219 0.000 1.646) 2.048 4.825 ( -0.403 0.000 2.523) 2.555 4.863 ( 0.910 0.000 -2.578) 2.734 5.038 ( 3.309 0.000 2.365) 4.067 5.320 ( 5.557 0.000 -3.927) 6.805 5.399 ( 3.247 0.000 6.355) 7.136 6.386 ( 11.827 0.000 -3.230) 12.260 19.591 ( -0.168 0.000 0.018) 0.169 19.598 ( -0.683 0.000 -0.310) 0.750 19.662 ( 0.499 0.000 -0.047) 0.502 19.669 ( 0.334 0.000 -0.321) 0.463 19.771 ( 0.267 0.000 -0.137) 0.301 19.801 ( -1.267 0.000 0.040) 1.268 19.809 ( -1.015 0.000 0.254) 1.046 19.866 ( -1.899 0.000 0.125) 1.903 25.074 ( 1.105 0.000 1.067) 1.536 25.077 ( -0.075 0.000 0.082) 0.111 25.105 ( -0.077 0.000 0.175) 0.191 25.118 ( -0.155 0.000 0.588) 0.609 31.238 ( 0.025 0.000 -0.125) 0.127 31.243 ( -0.028 0.000 0.129) 0.132 31.248 ( -0.164 0.000 0.237) 0.288 31.264 ( -0.266 0.000 -0.409) 0.488 41.130 ( 1.182 0.000 -0.197) 1.199 41.305 ( -0.416 0.000 0.233) 0.477 41.578 ( -0.729 0.000 2.551) 2.653 41.835 ( 2.197 0.000 -4.437) 4.951 41.951 ( -7.437 0.000 6.819) 10.090 42.136 ( 2.807 0.000 0.507) 2.852 42.980 ( -16.059 0.000 -26.228) 30.754 44.015 ( -18.019 0.000 -31.668) 36.436 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( -1.048 10.850 3.846) 11.559 0.574 ( -2.693 18.570 9.242) 20.917 0.884 ( -6.305 19.945 16.580) 26.692 1.318 ( -1.213 -6.598 1.102) 6.798 1.553 ( 2.838 1.131 -5.470) 6.266 1.624 ( 2.096 4.766 -2.534) 5.790 1.661 ( 2.372 -5.663 -2.299) 6.556 1.752 ( 1.679 -1.338 -0.690) 2.255 1.840 ( -1.806 -5.346 3.383) 6.579 1.896 ( 1.083 2.026 -0.493) 2.350 1.984 ( 1.860 -0.045 -0.979) 2.102 2.121 ( -0.599 -0.366 -2.800) 2.887 2.271 ( -0.321 -0.389 2.500) 2.551 2.285 ( -0.545 -0.082 4.187) 4.224 2.307 ( 0.737 1.926 1.697) 2.670 2.389 ( 0.684 -1.359 3.797) 4.090 2.471 ( 0.792 2.402 -1.634) 3.011 2.534 ( -0.721 -1.892 1.330) 2.423 2.724 ( -0.909 -5.701 3.787) 6.905 2.776 ( 2.041 -1.155 -2.337) 3.310 2.895 ( 0.126 -0.791 -1.070) 1.337 2.928 ( -0.805 -1.600 0.079) 1.793 3.106 ( 1.391 2.609 -3.113) 4.294 3.230 ( 1.975 -2.851 1.447) 3.758 3.304 ( 0.488 2.830 -1.189) 3.108 3.340 ( -0.486 -2.820 4.873) 5.651 3.454 ( 3.384 -1.815 -0.717) 3.906 3.547 ( 2.239 -2.238 -10.726) 11.184 3.697 ( 2.212 0.377 -1.502) 2.701 3.773 ( 0.526 -1.178 -1.948) 2.337 3.896 ( -3.421 0.392 1.174) 3.638 3.921 ( -1.433 -0.792 -0.356) 1.676 3.953 ( -1.021 1.073 -0.158) 1.489 4.031 ( 3.496 -1.833 1.116) 4.103 4.195 ( -1.386 0.958 -0.911) 1.916 4.214 ( -2.704 1.359 -3.372) 4.531 4.371 ( -0.771 1.588 0.207) 1.777 4.416 ( -3.742 2.807 0.228) 4.683 4.518 ( 6.097 2.283 -0.000) 6.510 4.568 ( 2.903 3.389 -1.272) 4.640 4.608 ( -0.604 -1.838 0.653) 2.042 4.649 ( 0.924 -2.698 -1.620) 3.280 4.802 ( -1.176 -3.724 -0.237) 3.913 4.842 ( 0.034 0.395 0.477) 0.620 5.086 ( 1.449 0.134 5.245) 5.443 5.361 ( -0.222 -4.741 9.332) 10.470 5.564 ( 1.721 11.998 -2.563) 12.389 6.250 ( -4.551 -8.530 -0.806) 9.701 19.598 ( 0.214 0.508 -0.005) 0.551 19.607 ( -0.106 1.255 -0.552) 1.375 19.664 ( -0.255 -0.565 0.030) 0.621 19.667 ( -0.095 -0.381 -0.093) 0.403 19.768 ( -0.208 -0.446 -0.047) 0.495 19.776 ( 0.507 -0.380 0.020) 0.634 19.802 ( -0.214 0.419 0.174) 0.501 19.834 ( -0.686 -0.292 -0.119) 0.755 25.075 ( 0.084 -0.053 0.201) 0.225 25.092 ( 0.547 -0.927 0.527) 1.199 25.109 ( 0.322 -0.328 0.742) 0.873 25.115 ( 0.012 -0.265 0.606) 0.662 31.236 ( -0.118 -0.051 -0.059) 0.141 31.243 ( -0.264 -0.004 0.051) 0.269 31.246 ( 0.042 0.207 -0.052) 0.217 31.258 ( -0.135 -0.269 -0.285) 0.415 41.323 ( -0.992 3.159 -0.503) 3.349 41.522 ( 7.065 0.469 -2.366) 7.466 41.608 ( 10.449 5.229 -3.851) 12.303 41.704 ( -12.170 -2.136 0.842) 12.384 41.942 ( 4.373 3.000 1.829) 5.609 42.168 ( 2.727 -2.315 3.195) 4.796 42.597 ( -26.326 43.267 -39.898) 64.474 43.459 ( -12.553 -3.611 -11.012) 17.084 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 12.495 5.204 2.704) 13.803 0.757 ( 13.828 13.388 6.447) 20.298 1.009 ( 16.268 15.316 8.356) 23.855 1.295 ( -1.124 -5.371 -0.204) 5.491 1.567 ( -3.132 0.527 1.898) 3.700 1.621 ( 2.771 0.564 -5.061) 5.797 1.726 ( 3.877 4.059 -3.462) 6.595 1.797 ( 2.820 -3.063 0.561) 4.201 1.864 ( 2.877 -8.651 3.922) 9.925 1.972 ( 5.990 3.535 2.102) 7.266 2.041 ( 4.891 -0.392 -1.873) 5.252 2.097 ( -0.053 1.149 -1.656) 2.016 2.246 ( -2.618 5.099 0.711) 5.776 2.296 ( -0.126 -2.364 2.948) 3.781 2.322 ( 0.947 2.649 2.521) 3.778 2.413 ( 0.906 -4.012 4.434) 6.048 2.503 ( -1.230 -1.245 -2.042) 2.690 2.581 ( 8.087 -1.516 2.190) 8.515 2.735 ( 1.443 -7.485 1.976) 7.874 2.785 ( -3.617 -1.984 -3.244) 5.248 2.880 ( 1.880 -2.085 0.457) 2.844 2.904 ( -2.573 1.704 -1.379) 3.380 3.122 ( 1.800 3.341 -2.304) 4.440 3.214 ( -3.011 3.218 -1.976) 4.829 3.279 ( -2.250 -4.583 3.831) 6.383 3.352 ( -0.045 0.128 2.007) 2.011 3.519 ( 2.641 -2.101 0.532) 3.417 3.553 ( 1.610 -2.486 -7.900) 8.437 3.746 ( 1.443 0.790 1.157) 2.011 3.776 ( 0.083 -0.320 -0.261) 0.421 3.880 ( 2.269 -1.222 -2.322) 3.469 3.920 ( 1.438 -0.981 -1.470) 2.279 3.977 ( 2.907 1.404 -2.320) 3.975 4.111 ( 0.420 -0.775 -1.902) 2.096 4.148 ( -0.278 2.914 -3.024) 4.209 4.218 ( 3.835 -2.657 0.395) 4.682 4.332 ( -2.230 3.950 1.111) 4.670 4.417 ( 2.132 -0.930 0.712) 2.432 4.497 ( -2.976 0.667 -0.874) 3.173 4.551 ( -2.712 -3.758 -1.848) 4.990 4.634 ( -1.327 -0.359 3.907) 4.142 4.716 ( 3.963 0.507 -0.406) 4.016 4.818 ( 2.297 -2.293 -0.817) 3.347 4.856 ( 0.752 -0.707 1.134) 1.533 5.115 ( 0.658 0.244 4.030) 4.091 5.337 ( -4.775 -3.399 9.358) 11.042 5.540 ( -3.272 11.001 -1.014) 11.522 6.139 ( -4.518 -3.858 -3.403) 6.847 19.590 ( -0.573 0.235 0.175) 0.643 19.604 ( 0.054 0.778 -0.234) 0.814 19.652 ( -0.673 -0.650 -0.194) 0.956 19.665 ( -0.362 -0.541 -0.154) 0.669 19.769 ( 0.196 -0.184 0.045) 0.272 19.783 ( 0.334 -0.054 0.073) 0.346 19.818 ( 1.672 0.459 0.169) 1.742 19.852 ( 1.983 0.034 -0.768) 2.126 25.078 ( 0.129 0.014 0.143) 0.193 25.093 ( -0.189 -0.428 0.056) 0.471 25.108 ( -0.251 -0.007 0.197) 0.319 25.120 ( -0.150 -0.919 1.476) 1.745 31.233 ( -0.101 -0.032 -0.111) 0.154 31.238 ( -0.226 0.015 -0.106) 0.250 31.247 ( 0.035 0.150 -0.215) 0.265 31.253 ( -0.360 -0.226 -0.156) 0.453 41.210 ( -7.387 3.667 -0.068) 8.247 41.469 ( -6.869 2.327 2.451) 7.656 41.576 ( -0.002 6.868 -2.474) 7.300 41.807 ( 3.411 -1.630 1.416) 4.037 42.033 ( 3.788 4.365 4.045) 7.055 42.231 ( 2.156 -1.667 6.667) 7.202 42.596 ( 30.314 23.916 -46.177) 60.193 43.250 ( -7.729 -1.815 -11.435) 13.922 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 13.394 1.988 3.076) 13.885 1.014 ( 12.512 9.471 4.906) 16.441 1.271 ( 0.279 -5.771 -0.442) 5.795 1.426 ( 18.700 5.466 -0.992) 19.508 1.520 ( -0.188 3.550 1.768) 3.971 1.645 ( -0.140 0.521 -1.751) 1.832 1.778 ( 2.884 2.208 -1.774) 4.042 1.880 ( 4.214 -3.672 1.959) 5.923 1.957 ( 7.945 -3.093 1.674) 8.689 2.087 ( 3.868 3.524 1.897) 5.566 2.114 ( 3.145 0.913 -2.094) 3.887 2.155 ( 6.127 -1.571 0.456) 6.341 2.217 ( -0.151 3.801 0.374) 3.823 2.280 ( -1.435 -0.827 0.007) 1.657 2.348 ( 1.124 1.266 3.144) 3.571 2.434 ( -1.105 -1.843 3.526) 4.129 2.475 ( -0.152 -1.413 -0.464) 1.495 2.672 ( -5.538 -0.739 -3.989) 6.865 2.723 ( 4.664 -2.428 -0.232) 5.264 2.770 ( 0.794 -6.423 -0.673) 6.507 2.828 ( -3.768 0.740 -0.764) 3.915 2.961 ( 5.877 -2.589 -0.335) 6.431 3.127 ( -3.409 4.968 1.540) 6.219 3.184 ( 2.249 1.950 -3.240) 4.400 3.255 ( -0.709 -2.231 4.932) 5.460 3.350 ( -0.700 -0.689 1.918) 2.155 3.532 ( -0.021 -2.760 -6.671) 7.219 3.593 ( 2.664 -2.155 3.057) 4.592 3.762 ( 0.281 0.974 0.684) 1.223 3.787 ( 1.242 0.845 1.838) 2.374 3.913 ( -0.472 -1.756 -1.553) 2.391 3.942 ( 1.739 -3.208 -4.444) 5.750 4.009 ( 0.970 -0.884 -2.393) 2.729 4.084 ( 0.621 -0.971 -1.633) 1.999 4.199 ( 3.309 2.338 -1.181) 4.220 4.284 ( -0.102 0.160 3.310) 3.315 4.333 ( 5.258 3.898 -3.047) 7.220 4.418 ( -3.724 -1.156 -2.662) 4.721 4.458 ( 0.414 1.406 0.375) 1.513 4.540 ( 2.214 -3.299 -1.202) 4.151 4.613 ( -0.988 2.816 4.516) 5.413 4.763 ( 0.428 1.556 -2.554) 3.021 4.841 ( 0.527 -1.562 -0.282) 1.672 4.887 ( 3.078 0.250 2.201) 3.792 5.125 ( -1.047 1.319 4.334) 4.650 5.246 ( -5.374 -2.303 5.683) 8.153 5.459 ( -4.707 7.759 1.164) 9.149 6.042 ( -6.151 -6.290 -3.109) 9.330 19.589 ( 0.361 -0.419 0.134) 0.569 19.605 ( 0.108 0.267 -0.102) 0.306 19.643 ( -0.067 -0.645 -0.225) 0.687 19.656 ( -0.489 -0.473 -0.271) 0.732 19.777 ( 0.694 0.056 0.119) 0.706 19.793 ( 0.790 0.218 -0.240) 0.854 19.854 ( 1.826 0.490 0.243) 1.907 19.887 ( 1.851 0.471 -0.805) 2.072 25.081 ( 0.143 0.009 0.048) 0.151 25.089 ( -0.186 -0.227 -0.022) 0.294 25.104 ( -0.178 0.144 0.135) 0.266 25.119 ( -0.252 -0.389 1.203) 1.289 31.232 ( 0.031 0.006 -0.110) 0.114 31.235 ( -0.014 0.001 -0.190) 0.191 31.245 ( -0.148 0.029 -0.574) 0.594 31.249 ( 0.063 0.122 0.007) 0.138 41.115 ( -3.132 0.160 0.744) 3.224 41.356 ( -6.160 1.303 2.038) 6.618 41.561 ( -1.604 8.306 -1.911) 8.673 41.847 ( 2.271 -0.710 -0.423) 2.417 42.094 ( -0.325 3.210 5.855) 6.685 42.286 ( 1.639 -2.018 8.891) 9.264 43.034 ( 21.985 2.464 -31.568) 38.548 43.153 ( 2.594 -0.494 -14.152) 14.396 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 11.133 1.819 4.017) 11.975 1.237 ( 8.869 7.397 0.727) 11.571 1.271 ( -0.304 -3.732 0.951) 3.864 1.476 ( -0.993 4.022 0.726) 4.206 1.636 ( 1.647 1.890 0.240) 2.519 1.723 ( 8.249 -0.420 -1.186) 8.344 1.825 ( 2.455 -3.171 -1.356) 4.233 1.932 ( 1.543 -4.024 0.049) 4.310 2.051 ( -1.564 0.131 -2.650) 3.080 2.163 ( 3.467 2.456 1.158) 4.404 2.189 ( 0.455 2.249 2.220) 3.193 2.223 ( -0.136 -6.556 1.232) 6.672 2.270 ( 4.825 0.316 -3.310) 5.860 2.299 ( 5.955 0.110 0.398) 5.969 2.388 ( 3.784 2.669 1.108) 4.761 2.423 ( 3.692 3.175 0.411) 4.887 2.482 ( -0.136 -1.896 3.526) 4.006 2.589 ( -1.803 2.162 -3.863) 4.780 2.727 ( -1.672 1.356 -1.601) 2.683 2.746 ( -1.737 -2.314 -0.391) 2.920 2.833 ( 2.683 -3.488 -2.080) 4.867 3.037 ( -1.702 4.493 -2.335) 5.342 3.071 ( 1.210 -3.608 1.785) 4.203 3.214 ( 1.134 -0.092 -2.869) 3.086 3.278 ( 0.616 -1.164 5.247) 5.410 3.334 ( -1.513 -1.080 2.364) 3.007 3.499 ( -2.177 -1.770 -2.891) 4.029 3.651 ( 2.463 -3.277 3.432) 5.346 3.766 ( 0.299 0.725 -0.349) 0.859 3.798 ( -2.250 -0.617 -0.705) 2.437 3.889 ( 1.104 2.031 2.374) 3.314 3.954 ( -0.221 -6.109 -3.977) 7.293 4.028 ( 1.596 -5.803 0.751) 6.066 4.111 ( 1.518 -3.102 0.665) 3.517 4.227 ( 0.794 2.856 -2.908) 4.152 4.297 ( -0.327 2.190 0.676) 2.315 4.373 ( 1.385 2.962 2.202) 3.942 4.420 ( 2.189 2.008 -2.419) 3.831 4.479 ( 2.965 3.153 -1.837) 4.702 4.580 ( 1.402 0.318 -1.363) 1.981 4.621 ( 1.043 3.228 1.067) 3.557 4.726 ( -2.873 1.190 -1.925) 3.657 4.845 ( 0.583 0.419 -1.871) 2.004 4.982 ( 5.902 -1.901 -1.230) 6.321 5.090 ( -2.732 0.466 6.342) 6.921 5.210 ( 0.545 -0.650 1.280) 1.535 5.381 ( -3.916 4.910 2.290) 6.685 5.872 ( -11.442 -5.870 -0.147) 12.860 19.600 ( 0.663 -0.182 0.122) 0.698 19.609 ( 0.381 -0.389 -0.063) 0.548 19.641 ( -0.377 -0.771 0.120) 0.866 19.653 ( 0.475 -0.349 -0.583) 0.829 19.792 ( 0.726 0.286 0.184) 0.801 19.810 ( 1.001 0.019 -0.351) 1.061 19.883 ( 1.165 0.538 0.135) 1.290 19.914 ( 1.110 0.797 -0.581) 1.485 25.083 ( 0.083 -0.014 -0.117) 0.144 25.086 ( -0.122 -0.131 -0.106) 0.208 25.102 ( -0.018 0.207 0.262) 0.335 25.117 ( -0.195 -0.209 0.884) 0.929 31.235 ( 0.232 -0.021 -0.097) 0.252 31.237 ( 0.160 -0.033 -0.147) 0.220 31.243 ( 0.068 0.216 -0.481) 0.532 31.252 ( 0.164 0.130 -0.037) 0.213 41.083 ( -0.502 -2.400 0.853) 2.596 41.246 ( -5.767 -1.250 1.923) 6.207 41.515 ( -2.434 8.452 -1.036) 8.856 41.865 ( -2.196 -3.285 -0.568) 3.993 42.056 ( -2.055 5.595 2.731) 6.557 42.333 ( 0.668 -2.539 10.273) 10.603 43.254 ( 10.947 0.171 -7.320) 13.170 43.294 ( 11.404 -0.879 -22.662) 25.384 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 7.033 1.598 5.045) 8.801 1.239 ( -3.659 -0.573 2.396) 4.412 1.315 ( 0.484 5.826 -2.531) 6.370 1.476 ( 0.865 3.350 0.317) 3.474 1.720 ( 4.596 3.255 -0.047) 5.632 1.779 ( -0.491 -1.997 -2.228) 3.032 1.865 ( 1.029 -7.044 -2.295) 7.479 1.936 ( -0.421 -0.943 -0.896) 1.368 1.998 ( -1.880 -0.514 -1.026) 2.202 2.139 ( -2.145 1.340 -1.585) 2.985 2.197 ( -2.026 -6.757 1.034) 7.130 2.261 ( 3.298 1.683 3.107) 4.834 2.299 ( -1.221 2.528 -0.832) 2.929 2.317 ( 1.725 -0.338 -0.736) 1.906 2.401 ( -1.406 0.331 0.573) 1.554 2.487 ( -0.029 0.017 4.339) 4.339 2.563 ( 1.641 -0.878 -2.504) 3.120 2.684 ( 4.784 1.727 -4.285) 6.651 2.712 ( 4.780 -3.494 -0.072) 5.922 2.759 ( 6.665 4.862 -3.202) 8.850 2.855 ( -0.678 2.164 -0.249) 2.281 2.977 ( -2.151 1.807 0.683) 2.892 3.125 ( 3.662 -4.040 -3.332) 6.390 3.196 ( -4.348 -1.519 0.501) 4.633 3.259 ( -2.663 -1.280 1.803) 3.462 3.309 ( -1.408 -2.192 1.112) 2.832 3.437 ( -3.848 0.757 0.329) 3.935 3.679 ( -1.541 -4.283 1.688) 4.855 3.757 ( 1.059 0.432 0.508) 1.252 3.780 ( 0.971 1.659 -0.083) 1.924 3.919 ( -1.591 -2.598 -0.104) 3.048 3.948 ( 2.541 -1.877 2.383) 3.957 4.067 ( 2.137 -6.945 2.019) 7.542 4.123 ( -0.722 -3.334 -0.480) 3.445 4.226 ( -0.504 0.773 -1.831) 2.051 4.280 ( -0.446 0.417 0.159) 0.632 4.418 ( 0.644 2.976 0.289) 3.059 4.461 ( 3.169 5.904 1.379) 6.841 4.518 ( 1.266 4.719 -1.979) 5.271 4.588 ( 0.299 1.902 0.060) 1.926 4.650 ( 1.716 3.702 -1.013) 4.204 4.677 ( -1.369 1.507 -0.885) 2.220 4.858 ( 1.232 0.764 -2.950) 3.287 5.041 ( 0.147 -4.701 -1.067) 4.823 5.118 ( 4.159 -0.514 -0.180) 4.194 5.258 ( 3.209 -1.605 0.296) 3.600 5.331 ( -0.211 3.596 2.215) 4.229 5.618 ( -15.314 -3.597 2.107) 15.871 19.610 ( 0.252 0.507 0.044) 0.568 19.618 ( 0.526 -0.844 -0.078) 0.998 19.633 ( -0.452 -1.169 0.157) 1.263 19.663 ( 0.499 -0.300 -0.362) 0.686 19.803 ( 0.282 0.483 0.239) 0.609 19.828 ( 0.868 -0.520 -0.148) 1.022 19.898 ( 0.330 0.814 -0.027) 0.878 19.926 ( 0.348 0.963 -0.404) 1.101 25.083 ( -0.037 -0.023 -0.234) 0.238 25.084 ( -0.098 -0.035 -0.182) 0.210 25.104 ( 0.120 0.142 0.445) 0.482 25.115 ( -0.194 -0.133 0.642) 0.684 31.239 ( 0.207 -0.041 -0.082) 0.226 31.240 ( 0.136 -0.032 -0.051) 0.149 31.246 ( 0.330 0.230 -0.183) 0.442 31.254 ( 0.148 0.186 -0.036) 0.240 41.102 ( 2.278 -3.543 1.282) 4.403 41.155 ( -4.139 -2.631 1.631) 5.169 41.482 ( -0.589 7.600 -0.371) 7.632 41.770 ( -5.290 -1.616 -0.094) 5.532 42.071 ( 1.928 4.601 -0.464) 5.010 42.350 ( -1.778 -2.536 10.649) 11.090 43.345 ( 1.975 1.360 -15.897) 16.077 43.501 ( 12.821 -2.068 -3.013) 13.332 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -9.316 1.600 3.673) 10.141 1.230 ( 1.334 -0.863 3.664) 3.994 1.322 ( 2.141 5.714 -2.992) 6.796 1.497 ( 0.037 3.403 2.261) 4.085 1.655 ( -8.244 2.098 -3.064) 9.042 1.754 ( -1.311 0.237 -4.294) 4.496 1.837 ( -4.414 -5.566 -2.847) 7.653 1.956 ( 2.574 -3.850 -2.856) 5.441 2.003 ( 0.859 -0.955 0.522) 1.387 2.105 ( -0.494 -1.155 -2.794) 3.064 2.162 ( -1.306 -1.322 1.959) 2.700 2.259 ( -1.293 5.706 0.468) 5.869 2.319 ( 0.546 -2.268 0.460) 2.378 2.350 ( -2.720 -0.461 -0.160) 2.764 2.374 ( 2.965 -0.231 1.988) 3.577 2.506 ( 0.491 1.104 4.807) 4.956 2.603 ( 3.695 0.063 -1.114) 3.860 2.698 ( 1.752 -2.211 -4.442) 5.262 2.752 ( 1.064 1.850 -3.966) 4.504 2.794 ( -3.507 2.069 -0.964) 4.185 2.887 ( -9.775 1.210 4.472) 10.817 2.971 ( 4.269 1.029 -0.846) 4.472 3.049 ( -3.663 -0.282 2.307) 4.338 3.187 ( -1.065 -4.274 -0.566) 4.441 3.226 ( -0.309 -4.278 -1.439) 4.524 3.298 ( 2.415 -2.101 -5.547) 6.404 3.383 ( -1.576 3.069 2.359) 4.179 3.625 ( -3.599 -3.684 -0.160) 5.153 3.774 ( -0.276 1.685 0.248) 1.725 3.843 ( 4.678 0.189 1.875) 5.043 3.899 ( -0.837 -0.311 2.758) 2.899 3.993 ( 2.009 -1.382 0.960) 2.620 4.096 ( -1.211 -2.509 -1.529) 3.178 4.114 ( 1.692 -6.547 3.829) 7.771 4.197 ( -1.110 1.163 -3.635) 3.975 4.283 ( 0.023 -0.496 0.542) 0.735 4.414 ( -0.767 2.543 0.553) 2.713 4.478 ( -0.834 7.854 0.240) 7.902 4.536 ( -0.010 0.696 0.124) 0.707 4.629 ( 3.712 4.346 0.424) 5.731 4.654 ( -0.291 1.539 0.232) 1.583 4.695 ( 2.452 2.333 -0.243) 3.393 4.869 ( 0.257 0.480 -1.681) 1.767 5.023 ( -1.860 -3.972 -0.511) 4.416 5.175 ( 2.312 1.526 -3.022) 4.099 5.235 ( -3.433 -1.840 1.482) 4.167 5.322 ( -14.437 -0.454 2.215) 14.613 5.487 ( 12.254 -3.256 -2.201) 12.869 19.609 ( -0.337 0.160 0.015) 0.373 19.620 ( -0.478 -1.046 -0.041) 1.150 19.631 ( 0.310 -0.938 0.032) 0.988 19.668 ( 0.127 -0.128 -0.115) 0.214 19.803 ( -0.257 0.694 0.239) 0.778 19.839 ( 0.183 -0.889 0.317) 0.961 19.894 ( -0.718 1.164 -0.211) 1.384 19.929 ( 0.067 0.856 -0.304) 0.910 25.080 ( -0.211 0.034 -0.304) 0.372 25.082 ( -0.058 -0.013 -0.189) 0.199 25.108 ( 0.164 0.032 0.587) 0.610 25.113 ( -0.204 -0.069 0.458) 0.506 31.240 ( -0.035 0.033 0.016) 0.051 31.242 ( 0.113 0.074 0.040) 0.141 31.251 ( 0.140 0.078 -0.044) 0.166 31.259 ( 0.338 0.151 0.099) 0.383 41.100 ( -1.909 -1.970 1.712) 3.234 41.174 ( 4.605 -3.853 1.665) 6.232 41.491 ( 1.332 6.210 0.649) 6.384 41.720 ( 0.717 0.374 -2.201) 2.344 42.094 ( 0.488 2.743 -1.042) 2.974 42.312 ( -4.887 -2.508 9.747) 11.188 43.296 ( -2.870 4.437 -11.654) 12.796 43.717 ( 10.122 -5.218 -0.644) 11.406 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -12.583 2.965 2.982) 13.267 1.243 ( -0.763 -4.912 2.201) 5.437 1.319 ( -7.613 6.816 2.061) 10.424 1.412 ( -3.711 3.790 1.484) 5.508 1.582 ( 1.344 1.253 -4.005) 4.407 1.713 ( -5.181 0.745 -3.755) 6.442 1.729 ( -1.504 -2.382 -6.391) 6.985 1.965 ( -0.390 -3.479 -2.138) 4.102 1.978 ( -2.888 -5.039 -1.602) 6.025 2.109 ( 0.548 -0.335 -3.268) 3.331 2.159 ( -0.599 2.758 1.824) 3.360 2.221 ( -6.370 3.695 2.473) 7.768 2.284 ( -3.597 0.003 0.772) 3.679 2.300 ( -1.518 1.144 -0.455) 1.954 2.433 ( 1.059 -2.323 3.567) 4.387 2.511 ( -5.322 0.865 4.194) 6.831 2.553 ( -13.530 4.054 5.517) 15.164 2.669 ( 1.055 -0.076 -4.418) 4.543 2.734 ( 0.882 0.046 1.336) 1.601 2.757 ( 2.967 -1.492 -1.182) 3.524 2.778 ( 3.394 2.688 -5.791) 7.231 2.988 ( -3.799 -1.574 -0.790) 4.187 3.058 ( -0.255 -0.539 0.967) 1.136 3.113 ( -2.791 -2.178 2.050) 4.092 3.232 ( 0.601 -6.283 0.659) 6.346 3.368 ( 1.942 0.386 -0.860) 2.158 3.385 ( 4.121 -0.198 -6.389) 7.605 3.547 ( -4.423 -2.835 -1.247) 5.400 3.755 ( -1.771 1.546 -0.230) 2.362 3.861 ( -2.595 0.755 0.674) 2.786 3.931 ( 2.875 -0.774 2.281) 3.751 4.052 ( -0.643 1.015 -1.175) 1.680 4.073 ( 2.706 -2.122 1.711) 3.841 4.147 ( 1.390 -2.359 3.387) 4.355 4.197 ( 1.573 0.601 -3.568) 3.945 4.267 ( -1.984 0.840 0.541) 2.221 4.399 ( -1.032 2.486 0.642) 2.767 4.458 ( -1.025 4.842 -0.931) 5.036 4.512 ( -2.633 0.178 0.416) 2.671 4.634 ( -0.981 -0.372 1.999) 2.258 4.712 ( 2.824 3.646 3.101) 5.558 4.731 ( 0.506 -0.109 -2.164) 2.225 4.855 ( -1.300 0.105 -0.602) 1.437 4.969 ( -3.422 -0.490 2.418) 4.219 5.083 ( -9.506 1.138 3.188) 10.090 5.183 ( -0.188 1.858 -1.830) 2.615 5.236 ( 3.485 -0.552 -2.428) 4.282 5.741 ( 14.722 -7.598 -4.617) 17.198 19.599 ( -0.626 -0.412 0.172) 0.769 19.610 ( -0.372 -1.091 -0.141) 1.161 19.636 ( 0.241 -0.525 -0.176) 0.604 19.668 ( -0.071 -0.008 0.066) 0.097 19.795 ( -0.690 0.775 0.241) 1.065 19.835 ( -0.723 -0.875 0.669) 1.318 19.873 ( -1.338 1.313 -0.354) 1.908 19.924 ( -0.587 0.584 -0.203) 0.852 25.074 ( -0.251 0.095 -0.349) 0.441 25.080 ( -0.105 -0.032 -0.106) 0.152 25.110 ( -0.194 0.001 0.324) 0.378 25.113 ( 0.123 -0.062 0.667) 0.681 31.239 ( -0.099 0.053 0.059) 0.127 31.244 ( 0.047 0.164 0.136) 0.218 31.252 ( -0.039 0.110 0.023) 0.119 31.265 ( 0.248 -0.058 0.157) 0.299 41.091 ( 0.555 -0.313 1.410) 1.547 41.272 ( 4.876 -2.082 2.239) 5.755 41.529 ( 2.331 4.767 1.425) 5.495 41.772 ( 4.485 1.279 -4.292) 6.338 42.085 ( -0.907 0.851 -1.425) 1.891 42.215 ( -7.356 -2.437 7.833) 11.018 43.211 ( -2.687 6.695 -9.045) 11.570 43.874 ( 6.593 -9.258 -0.532) 11.378 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -13.173 4.197 3.247) 14.202 1.038 ( -16.586 7.250 6.123) 19.109 1.267 ( -0.444 -6.437 1.675) 6.666 1.414 ( 0.867 0.667 -0.765) 1.335 1.600 ( 0.568 0.393 -5.302) 5.347 1.609 ( -3.055 2.944 -3.870) 5.743 1.711 ( -0.369 1.693 -4.592) 4.908 1.843 ( -23.013 5.411 7.237) 24.724 1.928 ( -4.603 -5.442 1.089) 7.210 1.959 ( -1.489 -1.718 -0.302) 2.294 2.077 ( -4.847 1.464 -5.521) 7.491 2.135 ( -1.304 1.749 -1.693) 2.762 2.255 ( 0.049 2.007 3.206) 3.783 2.286 ( -0.432 4.276 1.284) 4.486 2.367 ( -2.638 0.360 3.018) 4.024 2.421 ( -3.371 -0.620 3.477) 4.883 2.528 ( -0.179 -1.381 0.792) 1.602 2.618 ( -4.457 0.926 -4.336) 6.287 2.784 ( 4.422 -2.438 1.331) 5.222 2.814 ( 0.104 -3.101 -1.170) 3.316 2.841 ( 0.619 -1.504 -1.717) 2.365 2.918 ( -0.389 -0.352 -0.398) 0.659 2.990 ( -1.855 1.482 -1.384) 2.748 3.131 ( 1.883 -1.491 2.186) 3.248 3.256 ( 1.037 -3.488 2.703) 4.533 3.373 ( -0.648 1.814 3.160) 3.701 3.459 ( 0.827 -4.970 -5.711) 7.616 3.466 ( 0.535 -0.037 -8.696) 8.712 3.712 ( -2.117 1.129 -0.828) 2.538 3.814 ( -2.165 -0.048 -0.422) 2.206 3.968 ( 0.089 -1.416 1.687) 2.204 4.014 ( -1.456 2.434 -3.099) 4.201 4.100 ( -1.806 -3.316 2.652) 4.614 4.185 ( -3.211 1.524 -1.773) 3.972 4.202 ( 2.540 3.622 2.335) 5.003 4.226 ( -1.631 1.835 0.345) 2.479 4.390 ( 0.091 1.907 -1.432) 2.387 4.435 ( -1.017 2.022 -1.701) 2.832 4.446 ( -2.938 1.061 0.671) 3.195 4.630 ( -0.379 -4.191 3.874) 5.720 4.691 ( -2.650 -1.163 -4.233) 5.128 4.704 ( -5.649 4.325 7.472) 10.317 4.842 ( 0.604 -0.298 -3.759) 3.819 4.927 ( -3.393 4.849 5.593) 8.143 4.978 ( -0.902 -2.086 1.568) 2.761 5.219 ( 3.872 -1.958 1.659) 4.645 5.340 ( 7.920 5.259 -3.875) 10.266 6.002 ( 13.581 -10.664 -3.662) 17.652 19.588 ( -0.473 -0.869 0.130) 0.997 19.607 ( 0.042 0.181 -0.134) 0.229 19.641 ( 0.430 -0.781 -0.226) 0.920 19.668 ( 0.132 -0.064 0.078) 0.166 19.780 ( -0.842 0.489 0.212) 0.997 19.815 ( -1.425 -0.913 0.550) 1.779 19.845 ( -1.444 1.363 -0.204) 1.996 19.904 ( -1.539 0.269 -0.157) 1.570 25.070 ( -0.144 0.130 -0.153) 0.247 25.078 ( -0.096 -0.039 -0.019) 0.105 25.107 ( -0.158 0.065 0.235) 0.291 25.116 ( 0.013 -0.122 0.661) 0.672 31.238 ( -0.048 0.029 0.059) 0.082 31.245 ( 0.032 0.200 0.137) 0.244 31.250 ( -0.115 0.071 0.127) 0.186 31.267 ( -0.067 -0.151 -0.072) 0.180 41.127 ( 3.042 2.291 1.305) 4.026 41.355 ( 3.189 1.425 1.181) 3.687 41.574 ( 1.497 3.392 1.749) 4.099 41.831 ( 2.435 1.647 -5.129) 5.912 42.054 ( -4.769 -1.435 3.770) 6.247 42.100 ( -3.075 -1.509 1.009) 3.571 43.166 ( -0.010 6.913 -10.227) 12.344 43.949 ( 1.019 -14.328 -5.028) 15.219 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -11.878 6.831 3.603) 14.168 0.755 ( -14.578 12.611 8.496) 21.066 1.145 ( -18.835 4.434 9.966) 21.766 1.354 ( -4.992 0.559 2.151) 5.465 1.521 ( -0.079 1.064 0.427) 1.149 1.593 ( 0.933 2.259 -6.303) 6.760 1.617 ( 1.494 1.407 -3.000) 3.635 1.733 ( 0.986 -0.146 0.843) 1.306 1.883 ( -2.167 -8.051 1.467) 8.466 1.934 ( -2.773 2.174 -3.479) 4.951 1.974 ( -2.079 0.711 -1.335) 2.571 2.115 ( 0.376 0.102 -3.014) 3.039 2.268 ( 0.212 -0.823 4.145) 4.232 2.292 ( 0.056 5.377 0.873) 5.448 2.314 ( -3.314 -1.893 0.499) 3.849 2.383 ( -1.056 1.407 4.840) 5.150 2.514 ( -3.051 0.039 -2.187) 3.754 2.538 ( -1.030 0.871 2.284) 2.652 2.756 ( -3.241 -3.384 -2.618) 5.368 2.790 ( -2.938 -5.131 1.831) 6.190 2.864 ( 2.920 -1.668 0.584) 3.413 2.936 ( 0.201 -0.847 0.383) 0.951 3.047 ( 5.643 3.936 -4.407) 8.171 3.177 ( 2.355 -2.071 2.608) 4.079 3.276 ( 0.710 0.080 2.582) 2.680 3.360 ( -1.452 0.891 2.689) 3.183 3.422 ( 0.167 -1.848 -2.798) 3.357 3.513 ( 3.739 -2.993 -11.827) 12.760 3.688 ( -0.107 1.110 -1.653) 1.994 3.779 ( -1.077 -0.983 -1.614) 2.175 3.944 ( -2.345 -0.785 1.767) 3.039 3.971 ( -2.526 0.206 -2.765) 3.751 4.028 ( -6.066 -0.523 2.813) 6.707 4.069 ( -5.909 0.167 -0.797) 5.965 4.212 ( -0.341 1.358 -0.231) 1.419 4.269 ( 0.364 2.754 -1.878) 3.353 4.338 ( 1.697 5.895 0.784) 6.184 4.410 ( -0.996 2.759 -1.296) 3.207 4.493 ( 3.152 -1.661 -0.852) 3.663 4.562 ( -6.068 5.919 3.343) 9.112 4.631 ( -2.363 -2.066 -0.234) 3.148 4.660 ( -0.413 -2.859 1.227) 3.138 4.828 ( -1.049 -1.865 -2.859) 3.571 4.870 ( -2.919 2.171 2.208) 4.256 5.027 ( 3.357 -0.347 3.942) 5.190 5.307 ( 3.590 -4.282 6.494) 8.567 5.483 ( 7.149 9.799 -3.520) 12.630 6.214 ( 8.315 -12.860 -1.348) 15.373 19.587 ( 0.411 -0.037 0.058) 0.416 19.608 ( 0.002 1.037 -0.182) 1.053 19.654 ( 0.829 -0.804 -0.145) 1.164 19.672 ( 0.100 -0.222 -0.057) 0.250 19.768 ( -0.248 -0.122 0.073) 0.286 19.787 ( -1.446 -0.896 0.202) 1.713 19.819 ( -1.257 0.929 -0.003) 1.563 19.868 ( -2.160 -0.105 -0.138) 2.167 25.071 ( 0.319 -0.062 0.484) 0.583 25.078 ( 0.168 -0.030 0.173) 0.242 25.106 ( -0.074 0.100 0.220) 0.253 25.116 ( -0.131 -0.135 0.557) 0.588 31.237 ( -0.016 -0.026 0.026) 0.040 31.246 ( 0.029 0.196 0.064) 0.208 31.248 ( -0.213 0.014 0.152) 0.262 31.263 ( -0.260 -0.120 -0.400) 0.492 41.222 ( 7.145 5.215 0.590) 8.866 41.401 ( 2.307 5.597 -1.158) 6.164 41.584 ( -0.538 2.166 0.830) 2.381 41.840 ( -1.035 -0.678 -3.476) 3.690 41.935 ( -5.639 -0.005 4.278) 7.078 42.115 ( 2.375 -2.044 0.381) 3.156 43.093 ( -7.997 9.408 -20.743) 24.140 43.811 ( -14.928 -15.079 -16.789) 27.057 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.566 16.159 -0.312) 16.172 0.873 ( 0.675 -12.396 2.860) 12.739 0.978 ( -1.895 19.204 3.542) 19.619 1.356 ( 2.344 -15.674 -0.937) 15.876 1.537 ( -3.448 14.548 5.219) 15.835 1.638 ( 0.604 3.224 -3.467) 4.773 1.698 ( -0.737 -1.972 -2.752) 3.465 1.723 ( -1.608 -2.972 5.061) 6.085 1.783 ( 3.939 8.603 1.970) 9.665 1.976 ( 0.908 0.201 -3.493) 3.614 1.986 ( 1.726 0.993 -1.407) 2.438 2.074 ( 0.861 -9.804 0.459) 9.852 2.198 ( -0.617 0.017 0.681) 0.919 2.248 ( 1.914 -2.020 0.600) 2.847 2.338 ( 0.558 1.503 2.255) 2.767 2.399 ( -2.064 -3.165 -0.013) 3.779 2.459 ( 0.873 1.613 2.756) 3.310 2.529 ( -1.180 -2.274 -0.547) 2.620 2.676 ( -2.633 4.697 2.657) 6.005 2.810 ( 2.747 1.998 0.297) 3.410 2.816 ( -3.650 -5.076 -0.582) 6.280 2.888 ( 2.221 -3.274 0.853) 4.048 3.175 ( 0.636 3.010 -0.687) 3.152 3.190 ( 1.045 -0.160 2.626) 2.830 3.301 ( 0.971 -0.160 0.108) 0.990 3.356 ( 1.470 -2.420 -4.545) 5.355 3.418 ( 2.221 2.072 -1.932) 3.600 3.489 ( 1.959 -3.469 -7.227) 8.252 3.714 ( 1.235 1.353 -2.513) 3.110 3.745 ( 0.608 -1.588 -2.728) 3.215 3.904 ( -2.231 0.297 1.032) 2.476 3.908 ( -1.499 -0.294 0.691) 1.676 3.973 ( -0.159 1.081 0.021) 1.092 3.998 ( 1.050 -1.426 0.264) 1.790 4.214 ( -1.628 1.281 -0.571) 2.149 4.234 ( -1.510 -0.293 -1.729) 2.314 4.430 ( -0.255 4.580 -2.413) 5.183 4.468 ( -2.128 2.201 -0.387) 3.086 4.514 ( -2.923 -1.778 -0.244) 3.430 4.550 ( 0.508 -5.266 -2.953) 6.058 4.603 ( 0.984 0.909 1.387) 1.928 4.621 ( 0.841 0.281 1.360) 1.624 4.786 ( -0.382 1.801 0.879) 2.040 4.831 ( -0.989 -1.830 1.319) 2.463 5.127 ( 1.283 4.084 7.445) 8.588 5.239 ( 0.380 -6.628 9.267) 11.400 5.822 ( 2.174 13.022 -3.131) 13.568 6.061 ( 1.196 -10.736 -2.497) 11.087 19.615 ( 0.170 1.220 0.005) 1.232 19.631 ( -0.470 0.920 -0.402) 1.109 19.645 ( 0.247 -1.023 0.127) 1.060 19.655 ( -0.319 -0.855 -0.115) 0.920 19.764 ( 0.203 0.032 0.031) 0.208 19.768 ( 0.407 -0.365 0.104) 0.557 19.813 ( -0.381 0.621 -0.167) 0.747 19.825 ( -0.566 -0.558 -0.218) 0.824 25.076 ( 0.165 0.097 0.269) 0.330 25.080 ( 0.263 -0.331 0.378) 0.567 25.108 ( -0.026 0.105 0.383) 0.398 25.111 ( -0.138 -0.167 0.387) 0.444 31.237 ( -0.124 0.123 0.005) 0.175 31.240 ( -0.178 -0.204 0.091) 0.286 31.251 ( -0.081 0.214 -0.251) 0.340 31.255 ( -0.196 -0.146 -0.436) 0.500 41.401 ( -0.438 4.290 0.337) 4.326 41.480 ( 0.963 -3.396 0.319) 3.545 41.658 ( 2.376 1.119 -0.974) 2.801 41.676 ( -3.482 -0.926 -0.047) 3.603 42.017 ( 3.853 4.301 2.300) 6.215 42.103 ( 3.235 -4.048 2.867) 5.922 43.133 ( -8.091 15.608 -24.706) 30.323 43.350 ( -7.961 -7.571 -14.415) 18.124 ======================= Grid point 64 (35/96) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 6.480 13.273 -0.624) 14.783 0.880 ( 2.093 -9.674 2.472) 10.202 1.121 ( 12.116 12.797 0.865) 17.644 1.400 ( 2.283 -9.800 -0.694) 10.086 1.551 ( 3.042 12.466 4.883) 13.730 1.655 ( 1.850 2.664 -3.757) 4.963 1.710 ( 2.226 -3.602 0.112) 4.236 1.741 ( 2.149 -4.459 3.189) 5.888 1.867 ( 4.708 8.805 2.432) 10.276 2.012 ( 3.844 -1.485 -2.077) 4.615 2.047 ( 4.980 1.655 0.714) 5.296 2.150 ( 5.924 -4.571 0.494) 7.499 2.181 ( -0.574 0.116 0.518) 0.782 2.275 ( 0.485 -2.740 -1.878) 3.357 2.370 ( -1.169 0.540 1.438) 1.930 2.379 ( 1.436 0.163 2.339) 2.749 2.480 ( 0.382 0.997 1.476) 1.822 2.543 ( 3.250 -3.064 -1.019) 4.581 2.641 ( -0.735 0.827 2.560) 2.789 2.729 ( -4.459 -5.143 -1.003) 6.880 2.854 ( 0.938 1.551 1.115) 2.129 2.903 ( -1.031 -2.090 0.334) 2.355 3.181 ( 0.923 1.336 -0.908) 1.861 3.209 ( -0.092 -1.763 2.553) 3.104 3.290 ( -0.887 4.778 -1.198) 5.005 3.370 ( 0.333 -0.149 -3.431) 3.451 3.454 ( 1.242 -2.287 1.633) 3.073 3.489 ( 0.400 -3.471 -5.209) 6.272 3.760 ( 2.944 0.559 -0.910) 3.131 3.769 ( 2.309 -0.416 -1.117) 2.599 3.876 ( -0.477 0.715 -1.243) 1.511 3.897 ( 0.330 -1.203 -0.660) 1.411 4.010 ( 2.397 2.042 -2.343) 3.925 4.061 ( 2.290 -3.027 -0.828) 3.885 4.205 ( 1.697 2.129 -1.081) 2.930 4.218 ( 1.880 1.188 -2.355) 3.239 4.403 ( -0.180 0.416 -0.466) 0.650 4.418 ( -2.533 2.028 -0.926) 3.374 4.484 ( -0.673 -0.477 -0.155) 0.840 4.525 ( -3.103 -0.842 -1.473) 3.537 4.610 ( 1.180 0.111 1.900) 2.239 4.664 ( 1.958 -3.747 0.514) 4.259 4.823 ( 3.489 1.498 -0.176) 3.801 4.847 ( 1.951 -0.737 -0.203) 2.095 5.150 ( -0.318 3.354 6.976) 7.747 5.241 ( -2.537 -5.320 9.504) 11.183 5.783 ( -5.104 12.344 -1.474) 13.439 6.004 ( -5.649 -9.380 -1.797) 11.096 19.603 ( -1.129 0.982 0.200) 1.509 19.618 ( -0.782 0.122 -0.176) 0.811 19.638 ( -0.464 -0.260 -0.116) 0.545 19.650 ( -0.301 -0.919 -0.219) 0.992 19.769 ( 0.410 0.256 0.200) 0.524 19.777 ( 0.509 -0.419 0.263) 0.710 19.832 ( 2.056 0.796 -0.442) 2.249 19.846 ( 2.270 -0.551 -0.716) 2.443 25.079 ( 0.141 0.140 0.199) 0.281 25.084 ( 0.081 -0.366 0.261) 0.457 25.108 ( -0.099 0.057 0.344) 0.362 25.111 ( -0.015 -0.214 0.625) 0.660 31.234 ( -0.100 0.107 -0.072) 0.164 31.237 ( -0.164 -0.128 -0.068) 0.219 31.249 ( -0.055 0.084 -0.429) 0.440 31.250 ( -0.128 -0.068 -0.334) 0.364 41.306 ( -7.463 5.509 0.764) 9.307 41.413 ( -6.217 -4.861 1.611) 8.055 41.691 ( 3.597 4.158 -1.369) 5.665 41.760 ( 5.410 -2.952 -0.663) 6.198 42.115 ( 4.228 3.833 6.159) 8.397 42.184 ( 3.323 -2.974 6.784) 8.119 42.992 ( 2.715 14.000 -30.062) 33.273 43.179 ( -5.012 -5.780 -17.514) 19.112 ======================= Grid point 65 (36/96) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 10.624 8.600 0.185) 13.670 0.981 ( 7.375 -9.199 1.089) 11.841 1.333 ( 8.749 8.175 0.783) 12.000 1.460 ( 4.387 -3.365 -0.170) 5.532 1.635 ( 3.762 7.008 1.404) 8.077 1.672 ( 0.784 1.949 -0.678) 2.208 1.756 ( 1.727 -3.089 -2.006) 4.068 1.783 ( 1.785 -4.966 3.315) 6.232 2.003 ( 7.664 5.596 0.764) 9.521 2.096 ( 3.776 -3.478 -0.600) 5.168 2.154 ( 6.022 3.928 1.331) 7.312 2.186 ( 2.282 4.459 -0.140) 5.011 2.251 ( 2.249 -1.686 -1.048) 3.000 2.282 ( 0.636 0.360 -0.557) 0.919 2.355 ( 1.454 -0.711 0.743) 1.781 2.391 ( -0.500 -2.588 2.975) 3.974 2.485 ( 0.573 4.317 -0.927) 4.452 2.610 ( 2.475 -6.557 -2.727) 7.520 2.672 ( 2.157 -1.222 1.407) 2.851 2.684 ( 2.249 -1.499 -0.022) 2.703 2.833 ( -3.978 0.153 1.029) 4.112 2.874 ( -0.731 -4.144 1.297) 4.403 3.205 ( 1.328 0.125 -0.142) 1.341 3.216 ( 0.418 -0.977 2.960) 3.145 3.262 ( -1.828 7.073 -1.648) 7.489 3.351 ( -1.318 -0.148 -2.578) 2.899 3.465 ( 0.098 -2.499 -0.990) 2.690 3.507 ( 1.757 -5.124 1.410) 5.597 3.793 ( 1.176 1.960 -1.027) 2.506 3.818 ( 1.970 1.071 2.850) 3.627 3.867 ( -0.268 -1.188 -2.643) 2.910 3.893 ( -1.277 -2.031 -0.925) 2.571 4.016 ( -0.738 1.013 -4.274) 4.454 4.046 ( -1.209 -2.037 -1.864) 3.014 4.249 ( 2.436 3.042 -1.832) 4.306 4.299 ( 3.871 -0.737 -0.779) 4.016 4.398 ( 1.137 1.773 0.153) 2.112 4.445 ( 0.193 4.055 -0.258) 4.068 4.461 ( 4.108 -2.953 -0.068) 5.059 4.494 ( -0.026 0.369 -0.667) 0.763 4.639 ( 1.614 0.884 0.674) 1.960 4.704 ( 2.285 -4.930 -1.805) 5.726 4.863 ( 0.441 2.238 -1.669) 2.827 4.893 ( 2.649 -0.389 -0.810) 2.797 5.157 ( -0.766 1.814 6.009) 6.323 5.198 ( -3.498 -2.308 8.174) 9.186 5.655 ( -7.478 11.090 0.526) 13.386 5.873 ( -7.636 -10.202 -0.283) 12.746 19.590 ( -0.210 0.557 0.408) 0.722 19.605 ( -0.436 -0.592 0.204) 0.763 19.634 ( 0.015 0.068 -0.315) 0.322 19.644 ( -0.235 -0.684 -0.431) 0.842 19.782 ( 0.842 0.389 0.123) 0.935 19.790 ( 0.834 -0.382 0.085) 0.921 19.872 ( 2.065 1.063 -0.436) 2.363 19.888 ( 2.159 -0.437 -0.789) 2.340 25.082 ( 0.090 0.093 0.038) 0.135 25.085 ( -0.026 -0.204 0.009) 0.206 25.107 ( -0.078 0.189 0.368) 0.421 25.112 ( -0.044 -0.290 0.725) 0.782 31.233 ( 0.019 0.066 -0.125) 0.143 31.235 ( -0.021 -0.067 -0.186) 0.199 31.247 ( 0.026 0.154 -0.500) 0.524 31.250 ( 0.106 -0.061 -0.221) 0.252 41.177 ( -6.032 5.181 1.423) 8.078 41.291 ( -6.892 -5.568 2.127) 9.112 41.732 ( 0.030 6.746 -1.268) 6.865 41.821 ( 1.314 -2.458 -1.049) 2.978 42.168 ( -0.302 3.778 6.664) 7.667 42.236 ( 0.467 -2.989 7.723) 8.295 43.089 ( 12.017 2.684 -23.178) 26.246 43.132 ( 5.417 -1.611 -17.190) 18.095 ======================= Grid point 66 (37/96) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 10.155 5.683 1.668) 11.756 1.128 ( 6.800 -7.049 1.632) 9.929 1.443 ( 3.111 8.370 -1.600) 9.071 1.532 ( 1.977 0.241 0.363) 2.025 1.679 ( 2.673 1.083 -1.760) 3.379 1.703 ( 1.013 -1.966 -0.751) 2.336 1.766 ( 1.328 1.013 0.992) 1.943 1.850 ( 4.395 -4.891 2.377) 6.992 2.057 ( -1.249 1.089 -3.022) 3.447 2.108 ( -1.829 -4.210 -0.575) 4.626 2.224 ( -0.371 1.627 -0.065) 1.670 2.244 ( 1.002 3.818 0.441) 3.972 2.259 ( 0.127 0.434 0.062) 0.457 2.325 ( 5.419 0.304 1.784) 5.713 2.404 ( 1.832 -1.478 3.018) 3.828 2.412 ( 0.254 -2.547 -0.829) 2.691 2.546 ( 7.849 6.500 -2.426) 10.475 2.619 ( -0.092 -0.417 -3.801) 3.825 2.734 ( -1.008 0.305 0.282) 1.090 2.747 ( 3.118 4.122 0.327) 5.179 2.767 ( 2.809 -2.984 0.508) 4.130 2.906 ( 4.232 -9.876 0.947) 10.786 3.172 ( -4.515 5.907 0.244) 7.439 3.223 ( -0.571 -0.296 0.764) 0.998 3.260 ( 0.697 0.317 0.641) 0.998 3.307 ( -2.773 -1.956 -2.618) 4.286 3.466 ( 0.068 0.265 1.009) 1.046 3.545 ( 1.491 -6.280 3.125) 7.171 3.804 ( -1.292 2.665 -0.002) 2.961 3.811 ( -0.668 2.083 -1.856) 2.869 3.852 ( -2.226 -2.985 -1.309) 3.947 3.882 ( 1.841 -3.779 0.945) 4.308 3.993 ( 0.222 2.037 -0.757) 2.185 4.048 ( 0.677 -3.051 1.445) 3.443 4.268 ( -0.087 1.469 -1.513) 2.111 4.295 ( -1.566 -1.198 -0.968) 2.197 4.455 ( 2.870 4.141 1.058) 5.148 4.490 ( 3.250 3.298 -1.351) 4.823 4.526 ( 4.328 0.123 -3.581) 5.619 4.551 ( 3.981 -1.270 0.928) 4.280 4.675 ( 2.158 2.081 -1.586) 3.392 4.730 ( 0.883 -1.827 -2.756) 3.422 4.858 ( 0.132 1.923 -1.194) 2.267 4.920 ( 0.843 -3.709 -2.251) 4.420 5.135 ( -1.909 3.292 6.168) 7.248 5.189 ( 0.376 -1.852 3.389) 3.881 5.523 ( -6.683 9.020 2.195) 11.438 5.714 ( -9.490 -9.438 1.636) 13.484 19.595 ( 0.478 0.075 0.491) 0.689 19.604 ( 0.149 -0.572 0.441) 0.737 19.633 ( -0.101 0.181 -0.343) 0.401 19.643 ( 0.342 -0.636 -0.673) 0.987 19.799 ( 0.808 0.372 0.122) 0.898 19.806 ( 0.754 -0.336 0.044) 0.827 19.904 ( 1.360 1.186 -0.405) 1.849 19.920 ( 1.345 -0.298 -0.660) 1.528 25.083 ( 0.050 0.018 -0.113) 0.125 25.084 ( -0.028 -0.087 -0.129) 0.158 25.107 ( -0.034 0.252 0.426) 0.496 25.112 ( -0.080 -0.266 0.653) 0.710 31.235 ( 0.168 0.028 -0.131) 0.215 31.236 ( 0.154 -0.060 -0.156) 0.227 31.248 ( 0.194 0.288 -0.364) 0.503 31.252 ( 0.208 -0.082 -0.196) 0.297 41.091 ( -3.284 2.860 1.647) 4.656 41.174 ( -5.726 -4.749 2.158) 7.746 41.687 ( -3.580 7.565 -0.724) 8.400 41.800 ( -3.361 -3.921 -0.972) 5.255 42.165 ( -0.332 5.249 3.747) 6.457 42.262 ( 0.651 -4.384 6.435) 7.814 43.260 ( 10.612 0.499 -10.172) 14.708 43.274 ( 10.773 -0.930 -15.871) 19.204 ======================= Grid point 67 (38/96) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 5.009 2.880 3.382) 6.694 1.209 ( 0.615 -2.299 3.139) 3.939 1.459 ( 0.172 7.775 -3.514) 8.534 1.548 ( 0.402 2.019 0.326) 2.085 1.682 ( -0.434 -4.527 -4.473) 6.379 1.713 ( -0.099 -5.416 -3.860) 6.651 1.853 ( 6.112 5.997 2.120) 8.821 1.935 ( 1.636 -0.523 -0.064) 1.718 1.984 ( -3.225 -0.259 -1.564) 3.593 2.043 ( -4.450 -5.658 -1.328) 7.320 2.196 ( -1.067 1.908 1.468) 2.634 2.237 ( 0.101 -2.285 0.841) 2.437 2.325 ( 3.749 3.106 1.812) 5.194 2.386 ( -1.379 2.258 -1.031) 2.839 2.401 ( 0.959 -0.770 0.369) 1.284 2.424 ( 0.856 -4.043 3.134) 5.186 2.582 ( -0.669 1.931 -1.848) 2.755 2.629 ( -1.291 -3.068 -0.349) 3.347 2.750 ( 4.936 3.555 -2.538) 6.591 2.814 ( 2.310 -1.680 -1.920) 3.441 2.895 ( 8.643 4.468 0.368) 9.737 3.005 ( 4.152 -5.461 0.235) 6.864 3.082 ( -3.662 5.902 -1.399) 7.085 3.181 ( -4.752 -1.947 1.968) 5.500 3.231 ( -3.640 -1.094 -2.620) 4.616 3.249 ( -2.239 -2.585 -1.205) 3.626 3.464 ( -0.945 2.783 2.336) 3.754 3.563 ( -0.874 -6.505 2.236) 6.934 3.775 ( 0.628 1.530 -0.308) 1.683 3.820 ( 0.290 -1.994 -1.875) 2.753 3.836 ( 1.812 2.108 1.651) 3.233 3.921 ( 2.045 -4.810 2.861) 5.959 4.011 ( 0.789 1.888 2.120) 2.947 4.057 ( -0.339 -2.716 1.707) 3.226 4.250 ( -1.101 1.109 -2.142) 2.651 4.271 ( -0.919 -0.986 -1.011) 1.685 4.491 ( 0.688 3.727 -0.194) 3.795 4.533 ( 1.514 0.539 -0.937) 1.861 4.589 ( 2.327 2.184 -2.356) 3.967 4.614 ( 2.831 0.447 0.273) 2.879 4.708 ( 1.780 2.896 -1.707) 3.804 4.733 ( 0.460 1.941 -2.570) 3.253 4.872 ( 1.266 0.952 -1.815) 2.409 4.934 ( 1.227 -5.273 -1.420) 5.596 5.138 ( 1.048 2.847 2.177) 3.734 5.208 ( 0.767 -3.381 1.125) 3.645 5.419 ( -4.434 4.985 2.293) 7.055 5.524 ( -10.803 -5.349 2.583) 12.329 19.602 ( 0.052 -0.352 0.300) 0.465 19.607 ( -0.092 -0.765 0.457) 0.896 19.631 ( 0.209 0.928 -0.356) 1.016 19.651 ( 0.533 -0.865 -0.461) 1.115 19.811 ( 0.429 0.376 0.278) 0.635 19.818 ( 0.500 -0.384 0.223) 0.669 19.921 ( 0.517 1.184 -0.432) 1.362 19.935 ( 0.470 -0.159 -0.565) 0.752 25.083 ( -0.039 -0.003 -0.203) 0.207 25.083 ( -0.021 -0.029 -0.176) 0.179 25.108 ( 0.005 0.202 0.468) 0.509 25.112 ( -0.102 -0.199 0.549) 0.593 31.238 ( 0.226 -0.007 -0.014) 0.227 31.239 ( 0.178 -0.036 -0.026) 0.183 31.252 ( 0.240 0.311 -0.228) 0.454 31.256 ( 0.206 -0.059 -0.145) 0.259 41.065 ( 0.087 -0.026 1.930) 1.932 41.095 ( -2.976 -2.756 2.330) 4.677 41.628 ( -1.977 6.373 -0.877) 6.730 41.724 ( -3.172 -3.346 -1.046) 4.728 42.175 ( 0.157 5.460 1.734) 5.731 42.277 ( -0.955 -4.588 5.619) 7.317 43.386 ( 5.190 2.732 -10.072) 11.655 43.447 ( 9.355 -3.148 -5.314) 11.210 ======================= Grid point 68 (39/96) ======================= q-point: (-0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -6.495 3.186 2.990) 7.827 1.200 ( -2.357 -2.273 3.365) 4.696 1.456 ( 0.538 7.184 -3.767) 8.130 1.554 ( -0.490 0.340 0.434) 0.738 1.660 ( -1.363 -1.965 -5.313) 5.827 1.690 ( -0.968 -3.848 -5.509) 6.789 1.822 ( -6.137 3.437 0.988) 7.103 1.915 ( -5.415 -4.270 -1.071) 6.978 1.969 ( 2.708 1.936 -1.458) 3.634 2.038 ( 2.688 -3.573 -1.941) 4.875 2.205 ( 1.446 3.078 2.533) 4.240 2.265 ( 2.247 -2.865 1.878) 4.097 2.339 ( -2.427 2.269 0.642) 3.384 2.359 ( -1.929 1.163 -1.479) 2.695 2.390 ( 0.180 2.271 1.980) 3.018 2.480 ( 2.111 -4.432 4.208) 6.466 2.610 ( 3.857 0.480 -0.842) 3.977 2.628 ( 1.926 -2.141 -0.867) 3.007 2.796 ( 0.643 1.410 -3.167) 3.526 2.814 ( -1.887 -0.312 -1.919) 2.709 2.943 ( -9.433 4.206 4.295) 11.185 3.010 ( -1.385 -0.146 1.555) 2.088 3.060 ( -1.868 1.749 0.211) 2.568 3.109 ( 1.413 -2.488 -0.565) 2.916 3.153 ( -3.696 -0.743 -3.443) 5.106 3.228 ( 2.445 -4.865 -6.315) 8.338 3.445 ( -1.263 3.393 1.552) 3.939 3.529 ( -2.350 -5.072 0.468) 5.610 3.807 ( 1.141 1.730 0.700) 2.187 3.842 ( 1.854 -1.352 -0.129) 2.298 3.904 ( 3.870 2.335 4.605) 6.452 3.971 ( 1.827 -3.271 3.638) 5.222 4.030 ( 1.805 -0.300 2.481) 3.082 4.050 ( -0.196 -1.770 1.323) 2.218 4.222 ( -0.808 1.390 -3.306) 3.677 4.255 ( -0.446 -1.806 -1.743) 2.549 4.482 ( -1.449 3.662 -0.198) 3.943 4.535 ( -1.050 -1.275 -0.669) 1.782 4.608 ( 0.120 4.464 -0.316) 4.477 4.656 ( 0.674 -0.776 0.532) 1.158 4.734 ( 1.612 3.885 -3.252) 5.317 4.744 ( 1.448 2.258 -1.434) 3.041 4.882 ( -0.103 1.278 -0.336) 1.325 4.944 ( -0.315 -4.070 0.834) 4.166 5.166 ( 0.558 -0.512 0.073) 0.761 5.191 ( -3.441 -2.548 0.584) 4.321 5.348 ( -6.028 2.799 0.654) 6.678 5.414 ( 4.039 -3.648 -0.929) 5.522 19.598 ( -0.503 -0.606 0.068) 0.791 19.599 ( -0.609 -0.652 0.089) 0.896 19.638 ( 0.367 1.007 -0.045) 1.073 19.658 ( 0.257 -0.850 -0.120) 0.896 19.815 ( -0.139 0.479 0.437) 0.663 19.824 ( -0.015 -0.529 0.489) 0.720 19.921 ( -0.400 1.292 -0.462) 1.429 19.937 ( -0.148 -0.215 -0.535) 0.595 25.081 ( -0.136 0.058 -0.237) 0.279 25.082 ( -0.081 -0.046 -0.201) 0.222 25.110 ( 0.034 0.073 0.511) 0.518 25.111 ( -0.105 -0.096 0.464) 0.486 31.241 ( 0.055 0.055 0.085) 0.115 31.242 ( 0.147 -0.040 0.120) 0.194 31.255 ( 0.136 0.282 -0.117) 0.334 31.259 ( 0.188 -0.091 -0.033) 0.212 41.076 ( 0.320 -0.022 2.555) 2.575 41.104 ( 3.346 -2.728 2.597) 5.038 41.617 ( 1.138 5.802 -1.188) 6.031 41.703 ( 1.509 -2.536 -1.944) 3.534 42.164 ( -1.787 4.009 0.678) 4.441 42.245 ( -3.779 -3.927 4.392) 7.000 43.419 ( 0.680 7.575 -6.369) 9.920 43.580 ( 5.542 -8.035 -2.448) 10.063 ======================= Grid point 69 (40/96) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -10.207 6.481 1.926) 12.243 1.123 ( -6.106 -6.935 2.476) 9.566 1.442 ( -2.773 4.416 -2.184) 5.653 1.474 ( -7.560 1.583 -0.901) 7.776 1.615 ( -0.301 1.675 -4.492) 4.804 1.652 ( -1.545 -2.384 -3.852) 4.786 1.764 ( -0.852 2.049 -0.552) 2.287 1.843 ( -1.664 -6.029 0.769) 6.301 1.974 ( -1.095 2.920 -3.809) 4.923 2.052 ( -0.949 -4.102 -2.835) 5.076 2.241 ( 0.658 4.503 1.946) 4.949 2.282 ( -3.506 2.342 0.842) 4.300 2.308 ( -2.133 0.264 0.268) 2.166 2.318 ( 1.083 -0.157 0.053) 1.096 2.409 ( 0.833 1.666 3.703) 4.146 2.489 ( -2.097 -3.901 3.520) 5.658 2.641 ( -3.414 2.381 -1.904) 4.577 2.692 ( -5.821 3.350 0.601) 6.743 2.705 ( -3.467 0.192 1.778) 3.901 2.766 ( -0.075 1.977 0.909) 2.177 2.802 ( 0.409 -0.382 0.219) 0.601 2.899 ( -7.483 -9.147 2.605) 12.102 3.064 ( -1.020 -0.021 -1.809) 2.077 3.088 ( 0.105 0.000 -1.706) 1.709 3.156 ( 2.821 2.866 -1.584) 4.322 3.286 ( 4.014 -6.783 -7.925) 11.177 3.430 ( -0.619 2.828 0.500) 2.938 3.487 ( -1.984 -2.911 -1.388) 3.786 3.799 ( -1.885 2.727 0.163) 3.319 3.851 ( -1.730 -2.006 0.043) 2.650 3.944 ( 0.325 2.284 3.811) 4.455 4.008 ( 0.218 -3.751 3.466) 5.112 4.084 ( 3.021 2.234 1.341) 3.989 4.124 ( 6.143 -1.073 4.070) 7.447 4.214 ( 1.047 1.170 -3.993) 4.290 4.250 ( 0.643 -1.957 -1.450) 2.519 4.445 ( -2.073 2.796 -0.104) 3.483 4.496 ( -2.873 -1.871 -0.145) 3.431 4.578 ( -3.620 4.909 0.511) 6.120 4.625 ( -3.556 -0.653 1.701) 3.995 4.740 ( -0.425 1.890 -4.030) 4.472 4.790 ( 3.406 0.190 -3.242) 4.706 4.860 ( -2.782 2.520 3.490) 5.126 4.934 ( -1.157 -3.002 3.702) 4.904 5.092 ( -5.653 1.162 2.506) 6.292 5.145 ( -2.293 -3.622 0.901) 4.381 5.351 ( 6.288 9.331 -4.399) 12.081 5.553 ( 10.296 -10.448 -4.174) 15.250 19.585 ( -0.582 -0.261 0.048) 0.640 19.593 ( -0.072 -0.871 -0.065) 0.876 19.642 ( 0.030 0.845 0.012) 0.845 19.659 ( -0.046 -0.768 0.081) 0.774 19.807 ( -0.806 0.525 0.485) 1.077 19.818 ( -0.776 -0.663 0.580) 1.174 19.905 ( -1.129 1.565 -0.444) 1.980 19.926 ( -0.880 -0.504 -0.465) 1.116 25.077 ( -0.195 0.133 -0.255) 0.348 25.079 ( -0.136 -0.095 -0.168) 0.237 25.110 ( -0.098 0.031 0.408) 0.421 25.111 ( 0.024 -0.069 0.542) 0.547 31.241 ( -0.062 0.167 0.135) 0.223 31.244 ( 0.035 -0.101 0.192) 0.220 31.256 ( -0.006 0.331 -0.049) 0.334 31.262 ( 0.092 -0.238 0.043) 0.259 41.116 ( 3.124 2.873 2.877) 5.127 41.195 ( 5.272 -4.607 3.126) 7.667 41.658 ( 3.163 6.769 -1.693) 7.661 41.761 ( 4.482 -2.935 -2.828) 6.058 42.112 ( -3.512 1.904 -0.372) 4.012 42.160 ( -5.882 -2.775 2.650) 7.023 43.396 ( -1.336 11.395 -4.561) 12.346 43.644 ( 1.785 -12.861 -1.557) 13.078 ======================= Grid point 70 (41/96) ======================= q-point: (-0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -9.946 9.637 1.559) 13.937 0.998 ( -7.431 -9.820 3.210) 12.726 1.280 ( -9.457 6.427 -0.462) 11.443 1.391 ( -3.551 -3.577 -1.531) 5.268 1.620 ( 1.358 1.665 -3.973) 4.517 1.646 ( 1.935 -0.149 -2.342) 3.042 1.753 ( -0.710 2.093 -1.600) 2.729 1.804 ( -3.790 -3.626 0.121) 5.247 1.944 ( -0.756 1.745 -2.757) 3.349 1.981 ( -6.862 0.188 0.341) 6.873 2.126 ( -11.624 6.891 0.651) 13.529 2.212 ( -3.689 2.856 0.972) 4.766 2.265 ( -3.397 0.277 0.937) 3.535 2.331 ( -0.594 -1.877 -1.242) 2.328 2.397 ( -3.519 1.965 3.341) 5.235 2.439 ( -2.936 -1.142 4.472) 5.470 2.496 ( -2.877 4.896 0.563) 5.706 2.644 ( -1.959 1.720 -0.651) 2.687 2.701 ( -4.759 -8.592 2.318) 10.091 2.724 ( 1.038 -6.094 0.026) 6.182 2.810 ( 0.396 2.364 1.401) 2.776 2.873 ( 1.926 -3.286 0.803) 3.893 3.059 ( 2.555 4.112 -3.928) 6.234 3.126 ( 2.876 -1.332 -0.036) 3.169 3.200 ( 2.327 1.888 -0.595) 3.055 3.324 ( 1.879 -7.579 -5.845) 9.753 3.420 ( -0.606 2.163 -0.520) 2.306 3.455 ( -0.291 -1.193 -5.027) 5.175 3.753 ( -2.351 2.653 -0.641) 3.602 3.800 ( -2.761 -1.636 -0.829) 3.315 3.954 ( -0.300 0.979 2.018) 2.263 4.000 ( -1.579 -3.175 1.682) 3.925 4.102 ( -1.585 2.921 -0.355) 3.342 4.163 ( -3.230 -2.811 -0.859) 4.367 4.264 ( 0.922 2.365 0.957) 2.713 4.279 ( 3.097 1.425 0.805) 3.502 4.416 ( -0.861 1.244 -0.733) 1.681 4.444 ( -1.368 -1.051 0.217) 1.739 4.506 ( -2.714 3.614 0.103) 4.521 4.565 ( -1.980 -2.643 2.826) 4.346 4.699 ( -3.071 2.696 -3.395) 5.313 4.767 ( -5.526 -1.675 -0.128) 5.776 4.847 ( 0.163 3.252 2.085) 3.866 4.922 ( -1.404 -3.410 2.833) 4.650 5.023 ( -1.375 5.089 3.808) 6.502 5.133 ( 0.899 -5.565 3.560) 6.667 5.517 ( 11.404 11.135 -5.178) 16.759 5.758 ( 12.010 -12.774 -4.208) 18.031 19.582 ( 0.324 0.417 0.069) 0.533 19.600 ( 0.892 -1.091 -0.007) 1.409 19.640 ( -0.163 0.779 -0.051) 0.798 19.658 ( -0.056 -0.837 0.100) 0.845 19.788 ( -1.213 0.405 0.397) 1.339 19.799 ( -1.379 -0.664 0.436) 1.591 19.877 ( -1.708 1.546 -0.352) 2.331 19.900 ( -1.798 -0.709 -0.367) 1.968 25.073 ( -0.132 0.189 -0.137) 0.268 25.076 ( -0.104 -0.143 -0.085) 0.196 25.109 ( -0.099 0.139 0.360) 0.398 25.113 ( -0.033 -0.175 0.525) 0.554 31.240 ( -0.096 0.208 0.146) 0.272 31.245 ( -0.066 -0.194 0.224) 0.303 31.255 ( -0.078 0.378 -0.070) 0.392 31.262 ( -0.079 -0.313 -0.073) 0.331 41.203 ( 5.180 4.909 2.815) 7.671 41.305 ( 5.336 -4.847 3.039) 7.823 41.704 ( 1.423 7.601 -2.078) 8.007 41.822 ( 1.760 -3.376 -3.052) 4.880 42.037 ( -4.732 0.482 0.928) 4.846 42.066 ( -2.692 -1.835 -0.768) 3.347 43.358 ( -1.287 12.060 -6.110) 13.580 43.636 ( -2.178 -15.568 -3.747) 16.160 ======================= Grid point 71 (42/96) ======================= q-point: (-0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -6.394 13.436 0.954) 14.911 0.885 ( -4.386 -7.752 4.228) 9.859 1.110 ( -9.044 8.116 1.384) 12.230 1.342 ( -0.850 -10.474 -1.268) 10.584 1.631 ( -0.321 4.426 -5.399) 6.988 1.671 ( -7.687 5.820 1.969) 9.841 1.695 ( 2.127 -0.267 0.029) 2.144 1.735 ( -1.308 -0.293 -0.495) 1.429 1.800 ( -7.629 10.404 7.285) 14.816 1.957 ( 1.452 -0.498 -1.914) 2.454 1.998 ( -2.154 1.080 -4.597) 5.190 2.122 ( -5.136 -5.278 0.452) 7.379 2.208 ( -1.801 -0.733 1.666) 2.561 2.264 ( -3.771 -2.751 -1.917) 5.046 2.359 ( -2.391 1.693 2.004) 3.549 2.418 ( 0.111 -4.464 2.167) 4.964 2.462 ( -1.810 4.557 0.751) 4.960 2.577 ( -3.721 -4.164 1.251) 5.723 2.683 ( 1.118 3.443 2.812) 4.584 2.777 ( 1.390 -0.299 -0.852) 1.658 2.816 ( 1.930 -1.356 1.672) 2.891 2.881 ( -1.191 -4.344 -0.290) 4.513 3.125 ( 4.075 3.486 -1.370) 5.535 3.174 ( 1.487 0.396 0.780) 1.726 3.250 ( 3.123 0.275 0.467) 3.170 3.340 ( 1.319 -5.842 -3.717) 7.049 3.406 ( -0.142 2.855 -3.093) 4.212 3.458 ( 2.280 -2.410 -7.694) 8.379 3.721 ( -0.786 1.990 -1.819) 2.809 3.757 ( -1.278 -1.441 -1.946) 2.738 3.936 ( -1.890 0.363 0.760) 2.069 3.955 ( -3.002 -1.366 0.065) 3.299 4.036 ( -4.901 1.109 0.778) 5.085 4.060 ( -6.146 -1.075 0.062) 6.239 4.242 ( -1.507 1.799 0.331) 2.370 4.274 ( -2.509 -1.073 -0.847) 2.857 4.426 ( 0.654 2.720 -0.745) 2.895 4.461 ( 2.338 -1.127 0.012) 2.595 4.503 ( 2.335 4.261 1.010) 4.963 4.573 ( 0.626 -3.322 0.250) 3.389 4.616 ( -4.127 1.456 -1.913) 4.776 4.657 ( -4.894 -0.407 -0.373) 4.925 4.822 ( -2.660 2.043 1.080) 3.524 4.874 ( -3.465 -1.958 2.226) 4.560 5.066 ( 3.034 4.576 6.214) 8.292 5.187 ( 2.619 -6.852 7.377) 10.404 5.714 ( 9.607 12.376 -4.350) 16.260 5.961 ( 9.452 -12.380 -3.098) 15.881 19.598 ( 1.251 1.134 0.032) 1.689 19.625 ( 1.457 -0.789 0.081) 1.659 19.637 ( -0.114 0.560 -0.182) 0.599 19.658 ( 0.010 -1.008 0.024) 1.009 19.768 ( -0.811 0.124 0.178) 0.839 19.774 ( -1.088 -0.459 0.188) 1.196 19.840 ( -1.964 1.087 -0.221) 2.256 19.859 ( -2.317 -0.732 -0.232) 2.441 25.072 ( 0.086 0.147 0.160) 0.234 25.076 ( 0.061 -0.166 0.089) 0.198 25.108 ( -0.086 0.184 0.324) 0.382 25.113 ( -0.108 -0.211 0.452) 0.510 31.239 ( -0.093 0.167 0.100) 0.215 31.243 ( -0.144 -0.242 0.204) 0.348 31.253 ( -0.091 0.346 -0.167) 0.394 31.259 ( -0.189 -0.245 -0.304) 0.434 41.320 ( 6.348 4.820 1.871) 8.187 41.406 ( 4.713 -3.292 1.810) 6.027 41.685 ( -2.544 5.862 -1.975) 6.688 41.785 ( -5.056 -4.171 -1.487) 6.721 41.981 ( -0.508 3.720 0.349) 3.771 42.057 ( 1.232 -3.609 0.076) 3.814 43.299 ( -3.545 10.930 -12.998) 17.349 43.531 ( -7.224 -12.652 -9.842) 17.582 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 1.561 0.000 14.822) 14.904 0.625 ( -5.165 0.000 15.273) 16.123 0.953 ( -12.346 0.000 19.406) 23.001 1.367 ( 5.712 0.000 -9.595) 11.167 1.409 ( 4.651 0.000 -11.996) 12.866 1.475 ( -4.481 0.000 -6.323) 7.749 1.612 ( -1.313 0.000 5.990) 6.132 1.806 ( 7.351 0.000 0.560) 7.372 1.893 ( -1.208 0.000 6.113) 6.231 1.952 ( 2.266 0.000 -1.263) 2.595 2.034 ( -0.442 0.000 -0.666) 0.799 2.182 ( -1.108 0.000 7.221) 7.305 2.218 ( -3.123 0.000 2.716) 4.138 2.387 ( 2.678 0.000 2.197) 3.464 2.398 ( -1.219 0.000 4.284) 4.454 2.440 ( 3.872 0.000 3.392) 5.148 2.515 ( 1.274 0.000 1.002) 1.621 2.538 ( -1.805 0.000 0.603) 1.903 2.661 ( 4.496 0.000 -5.899) 7.417 2.834 ( -2.576 0.000 -4.697) 5.357 2.888 ( 0.917 0.000 -7.438) 7.494 2.898 ( -2.071 0.000 4.217) 4.698 2.988 ( 1.262 0.000 -3.472) 3.694 3.156 ( 0.572 0.000 -10.098) 10.115 3.321 ( 1.729 0.000 -5.747) 6.002 3.326 ( 1.750 0.000 -0.794) 1.922 3.459 ( 4.831 0.000 -0.848) 4.905 3.473 ( -4.039 0.000 0.703) 4.100 3.725 ( 4.052 0.000 3.488) 5.347 3.791 ( 0.839 0.000 0.994) 1.301 3.898 ( -2.153 0.000 -2.324) 3.169 3.919 ( 0.962 0.000 0.201) 0.982 3.942 ( -5.497 0.000 1.795) 5.783 4.080 ( -1.838 0.000 -3.880) 4.293 4.085 ( 3.315 0.000 2.133) 3.942 4.216 ( -1.043 0.000 -0.638) 1.223 4.360 ( -6.880 0.000 -0.092) 6.881 4.369 ( 8.732 0.000 -0.711) 8.761 4.434 ( 7.807 0.000 1.051) 7.878 4.525 ( -2.861 0.000 -2.369) 3.715 4.635 ( -0.581 0.000 0.032) 0.582 4.651 ( -0.599 0.000 -1.099) 1.251 4.838 ( -1.389 0.000 0.968) 1.693 4.886 ( 3.240 0.000 -0.042) 3.240 5.163 ( 0.724 0.000 3.493) 3.567 5.324 ( 1.527 0.000 -2.540) 2.964 5.661 ( 0.996 0.000 12.420) 12.460 6.277 ( -7.390 0.000 -6.953) 10.147 19.589 ( -0.089 0.000 0.056) 0.105 19.594 ( 0.204 0.000 -0.015) 0.205 19.665 ( -0.086 0.000 -0.107) 0.138 19.669 ( 0.154 0.000 -0.172) 0.230 19.772 ( -0.720 0.000 -0.137) 0.733 19.776 ( 0.653 0.000 -0.215) 0.687 19.810 ( 0.124 0.000 0.607) 0.619 19.835 ( -0.945 0.000 -0.193) 0.965 25.080 ( 0.008 0.000 0.228) 0.228 25.096 ( -0.007 0.000 -0.269) 0.269 25.123 ( -0.592 0.000 0.512) 0.783 25.139 ( 1.727 0.000 0.027) 1.727 31.237 ( 0.028 0.000 0.046) 0.054 31.240 ( -0.246 0.000 -0.026) 0.247 31.247 ( -0.296 0.000 0.099) 0.312 31.261 ( 0.402 0.000 -0.224) 0.460 41.175 ( 2.410 0.000 1.558) 2.870 41.274 ( -3.096 0.000 -1.292) 3.355 41.569 ( -4.143 0.000 1.216) 4.317 41.707 ( -8.389 0.000 -2.794) 8.843 41.957 ( -3.977 0.000 4.739) 6.187 42.000 ( -6.647 0.000 2.647) 7.155 42.314 ( 4.941 0.000 9.192) 10.436 43.221 ( -9.671 0.000 -17.152) 19.691 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 7.913 0.000 10.612) 13.238 0.741 ( 5.570 0.000 12.092) 13.313 1.019 ( 14.537 0.000 15.004) 20.892 1.326 ( -3.800 0.000 -11.242) 11.867 1.488 ( 8.188 0.000 -7.481) 11.091 1.564 ( 7.160 0.000 -1.945) 7.420 1.599 ( -0.680 0.000 4.713) 4.762 1.874 ( -1.089 0.000 1.603) 1.938 1.931 ( 5.945 0.000 -4.108) 7.226 2.021 ( 5.483 0.000 1.066) 5.586 2.027 ( -0.060 0.000 1.352) 1.353 2.146 ( -3.732 0.000 2.311) 4.389 2.203 ( 1.101 0.000 9.703) 9.765 2.396 ( -1.489 0.000 4.743) 4.971 2.401 ( -0.520 0.000 2.504) 2.557 2.512 ( -0.634 0.000 2.093) 2.187 2.542 ( 1.685 0.000 2.205) 2.775 2.563 ( 5.079 0.000 -4.309) 6.661 2.730 ( 2.226 0.000 -6.748) 7.106 2.754 ( -3.185 0.000 -3.523) 4.749 2.853 ( -2.303 0.000 -7.540) 7.884 2.897 ( 0.930 0.000 4.569) 4.662 3.015 ( 3.581 0.000 -3.735) 5.175 3.144 ( 0.241 0.000 -3.728) 3.735 3.330 ( -1.166 0.000 -2.521) 2.778 3.348 ( 3.005 0.000 -8.688) 9.193 3.404 ( -2.073 0.000 0.669) 2.179 3.567 ( 5.723 0.000 1.179) 5.843 3.770 ( 0.321 0.000 1.219) 1.260 3.829 ( 0.442 0.000 5.069) 5.089 3.874 ( 0.270 0.000 -3.356) 3.367 3.899 ( 1.992 0.000 0.842) 2.163 3.957 ( 3.053 0.000 -0.565) 3.104 4.020 ( -2.397 0.000 -3.087) 3.909 4.138 ( 2.331 0.000 1.698) 2.884 4.188 ( -1.169 0.000 -1.255) 1.715 4.340 ( 2.565 0.000 -1.124) 2.800 4.418 ( -5.256 0.000 -4.450) 6.887 4.443 ( 0.292 0.000 1.136) 1.173 4.592 ( 0.502 0.000 -0.830) 0.970 4.675 ( 2.023 0.000 -0.249) 2.038 4.697 ( 7.836 0.000 0.428) 7.848 4.851 ( 2.717 0.000 0.279) 2.731 4.924 ( 0.073 0.000 1.625) 1.627 5.165 ( -0.747 0.000 1.031) 1.274 5.294 ( -3.520 0.000 -1.762) 3.937 5.647 ( -5.475 0.000 12.535) 13.678 6.079 ( -8.100 0.000 -5.561) 9.825 19.591 ( 0.247 0.000 -0.056) 0.254 19.594 ( -0.053 0.000 0.141) 0.150 19.656 ( -0.695 0.000 -0.078) 0.700 19.666 ( -0.358 0.000 -0.269) 0.448 19.770 ( 0.302 0.000 -0.119) 0.324 19.784 ( 0.116 0.000 0.222) 0.250 19.828 ( 1.558 0.000 0.700) 1.708 19.838 ( 1.244 0.000 -0.492) 1.338 25.081 ( 0.032 0.000 0.173) 0.176 25.094 ( -0.163 0.000 -0.224) 0.277 25.112 ( -0.563 0.000 0.277) 0.627 25.153 ( -0.165 0.000 0.220) 0.276 31.234 ( -0.271 0.000 -0.053) 0.276 31.236 ( -0.170 0.000 0.127) 0.212 31.245 ( 0.049 0.000 -0.034) 0.060 31.258 ( -0.685 0.000 0.070) 0.689 41.209 ( -2.410 0.000 -2.593) 3.540 41.230 ( 2.663 0.000 3.185) 4.152 41.507 ( -2.678 0.000 -1.038) 2.872 41.837 ( 22.041 0.000 -5.380) 22.688 41.929 ( -0.992 0.000 6.918) 6.989 42.127 ( 12.980 0.000 1.999) 13.133 42.427 ( 4.586 0.000 11.827) 12.685 43.003 ( -8.781 0.000 -16.866) 19.015 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 7.380 0.000 8.846) 11.520 0.916 ( 12.294 0.000 5.185) 13.343 1.267 ( 0.222 0.000 -8.708) 8.710 1.409 ( 18.900 0.000 5.184) 19.598 1.535 ( -0.858 0.000 3.534) 3.636 1.635 ( 0.503 0.000 0.516) 0.721 1.690 ( 8.397 0.000 -1.969) 8.625 1.897 ( 4.221 0.000 -2.912) 5.128 2.041 ( 5.839 0.000 -5.355) 7.923 2.051 ( 2.844 0.000 1.411) 3.174 2.111 ( 0.634 0.000 2.549) 2.627 2.142 ( 6.120 0.000 0.882) 6.183 2.225 ( -2.500 0.000 7.283) 7.700 2.366 ( -3.324 0.000 -0.803) 3.419 2.389 ( 0.508 0.000 7.076) 7.094 2.520 ( -5.423 0.000 -8.514) 10.095 2.528 ( 1.037 0.000 5.838) 5.929 2.574 ( 1.025 0.000 2.829) 3.009 2.700 ( -3.002 0.000 -6.236) 6.921 2.761 ( 1.911 0.000 0.116) 1.914 2.780 ( -2.614 0.000 -9.454) 9.808 2.950 ( 2.683 0.000 2.313) 3.542 3.077 ( 2.363 0.000 -4.290) 4.898 3.167 ( 2.526 0.000 1.488) 2.931 3.307 ( 0.416 0.000 -1.622) 1.674 3.389 ( 3.201 0.000 -8.582) 9.159 3.396 ( 0.268 0.000 1.660) 1.681 3.665 ( 4.177 0.000 2.476) 4.856 3.769 ( -0.349 0.000 0.827) 0.898 3.851 ( -2.758 0.000 -3.304) 4.304 3.851 ( 1.969 0.000 3.489) 4.007 3.978 ( 4.289 0.000 3.012) 5.241 3.992 ( 2.398 0.000 -5.548) 6.044 4.051 ( 4.969 0.000 0.526) 4.997 4.187 ( 2.128 0.000 1.696) 2.721 4.198 ( 1.651 0.000 -0.344) 1.686 4.302 ( -0.927 0.000 -5.484) 5.562 4.419 ( -2.246 0.000 -0.223) 2.257 4.432 ( 3.824 0.000 -1.217) 4.013 4.566 ( -2.320 0.000 -0.707) 2.426 4.708 ( 1.264 0.000 -0.302) 1.299 4.725 ( -4.792 0.000 8.478) 9.739 4.890 ( -3.961 0.000 1.898) 4.393 4.925 ( 4.109 0.000 0.551) 4.145 5.154 ( -0.328 0.000 0.339) 0.472 5.222 ( -2.704 0.000 -2.738) 3.848 5.536 ( -8.226 0.000 9.692) 12.713 5.972 ( -3.203 0.000 -8.589) 9.167 19.597 ( 0.349 0.000 0.033) 0.351 19.598 ( 0.502 0.000 0.027) 0.503 19.646 ( -0.154 0.000 -0.127) 0.199 19.657 ( -0.477 0.000 -0.244) 0.536 19.780 ( 0.793 0.000 -0.186) 0.815 19.788 ( 0.349 0.000 0.560) 0.659 19.864 ( 1.864 0.000 0.586) 1.955 19.865 ( 1.547 0.000 -0.620) 1.667 25.081 ( -0.035 0.000 -0.021) 0.040 25.090 ( -0.193 0.000 -0.159) 0.250 25.105 ( -0.182 0.000 0.260) 0.318 25.146 ( -0.597 0.000 0.709) 0.926 31.231 ( -0.036 0.000 -0.041) 0.055 31.234 ( 0.016 0.000 0.066) 0.068 31.244 ( -0.678 0.000 0.188) 0.703 31.247 ( 0.182 0.000 0.029) 0.184 41.156 ( -2.387 0.000 -2.997) 3.832 41.284 ( 1.748 0.000 5.489) 5.761 41.451 ( -3.052 0.000 -2.515) 3.954 41.941 ( 0.450 0.000 7.864) 7.877 42.130 ( 2.638 0.000 1.037) 2.834 42.478 ( 24.151 0.000 -17.285) 29.699 42.545 ( 4.235 0.000 14.908) 15.498 42.894 ( 4.774 0.000 -15.523) 16.240 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 8.579 0.000 6.730) 10.904 1.110 ( 5.696 0.000 0.605) 5.729 1.309 ( 6.314 0.000 -5.307) 8.248 1.449 ( -4.771 0.000 1.541) 5.013 1.633 ( 0.698 0.000 0.454) 0.832 1.735 ( 8.684 0.000 3.949) 9.539 1.822 ( 5.673 0.000 -0.607) 5.705 1.965 ( 2.708 0.000 -4.716) 5.439 2.062 ( -1.232 0.000 0.490) 1.326 2.123 ( -2.557 0.000 -0.211) 2.565 2.192 ( 4.574 0.000 0.814) 4.646 2.228 ( 9.328 0.000 1.788) 9.498 2.244 ( 3.462 0.000 -1.305) 3.700 2.286 ( -3.465 0.000 -1.808) 3.908 2.399 ( -2.764 0.000 -4.342) 5.147 2.471 ( 4.795 0.000 7.000) 8.485 2.565 ( 0.904 0.000 6.704) 6.765 2.589 ( -0.181 0.000 1.823) 1.832 2.604 ( -5.099 0.000 -5.185) 7.272 2.734 ( 0.266 0.000 -10.108) 10.111 2.775 ( -0.548 0.000 0.937) 1.086 2.978 ( 0.738 0.000 -0.379) 0.830 3.087 ( 0.009 0.000 -1.441) 1.441 3.205 ( 0.743 0.000 -0.906) 1.172 3.330 ( 1.089 0.000 0.373) 1.151 3.411 ( 0.366 0.000 2.932) 2.955 3.413 ( 0.873 0.000 -7.141) 7.194 3.738 ( 3.095 0.000 2.406) 3.920 3.768 ( 0.166 0.000 0.628) 0.649 3.778 ( -3.483 0.000 -1.471) 3.781 3.922 ( 4.488 0.000 2.149) 4.976 4.004 ( -0.283 0.000 -7.193) 7.199 4.044 ( 0.661 0.000 4.773) 4.818 4.139 ( 3.902 0.000 -0.690) 3.962 4.223 ( 2.051 0.000 0.002) 2.051 4.271 ( 6.001 0.000 3.361) 6.878 4.344 ( 5.084 0.000 -4.420) 6.737 4.387 ( -0.625 0.000 -0.218) 0.662 4.493 ( 2.924 0.000 -1.484) 3.279 4.495 ( -5.757 0.000 3.292) 6.632 4.643 ( -4.005 0.000 5.483) 6.790 4.705 ( -2.051 0.000 -0.494) 2.110 4.811 ( -3.191 0.000 -0.520) 3.233 4.985 ( 2.217 0.000 -2.149) 3.087 5.161 ( 0.796 0.000 2.714) 2.828 5.200 ( 1.375 0.000 -1.231) 1.846 5.412 ( -6.300 0.000 5.069) 8.086 5.857 ( -7.763 0.000 -6.507) 10.129 19.602 ( 0.207 0.000 0.204) 0.291 19.611 ( 0.785 0.000 -0.179) 0.806 19.650 ( -0.181 0.000 -0.105) 0.210 19.651 ( 0.569 0.000 -0.216) 0.609 19.798 ( 0.422 0.000 0.617) 0.748 19.799 ( 1.259 0.000 -0.355) 1.308 19.889 ( 1.043 0.000 -0.502) 1.158 19.893 ( 0.990 0.000 0.432) 1.080 25.080 ( -0.038 0.000 -0.195) 0.199 25.086 ( -0.219 0.000 -0.134) 0.257 25.107 ( 0.186 0.000 0.414) 0.454 25.137 ( -0.509 0.000 0.687) 0.855 31.234 ( 0.328 0.000 -0.033) 0.329 31.236 ( 0.157 0.000 0.064) 0.169 31.237 ( -0.100 0.000 0.093) 0.136 31.250 ( 0.122 0.000 0.034) 0.126 41.120 ( -0.346 0.000 -2.514) 2.538 41.306 ( -2.291 0.000 6.667) 7.049 41.388 ( -1.446 0.000 -2.150) 2.590 41.990 ( 2.680 0.000 6.905) 7.407 42.008 ( -11.580 0.000 0.901) 11.615 42.640 ( 1.364 0.000 17.076) 17.131 42.807 ( 14.995 0.000 -23.313) 27.719 43.107 ( 17.419 0.000 -9.748) 19.961 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.225 0.000 -1.799) 2.176 1.230 ( 7.101 0.000 5.597) 9.042 1.341 ( -6.332 0.000 2.176) 6.695 1.409 ( 3.758 0.000 -2.660) 4.604 1.689 ( 3.834 0.000 -0.065) 3.835 1.755 ( -4.980 0.000 0.874) 5.056 1.907 ( 2.477 0.000 -4.085) 4.777 1.976 ( -1.970 0.000 0.541) 2.043 2.008 ( -4.815 0.000 2.817) 5.579 2.101 ( 3.542 0.000 -0.212) 3.548 2.173 ( -2.631 0.000 -1.891) 3.240 2.267 ( -1.910 0.000 -1.845) 2.656 2.322 ( 5.461 0.000 3.000) 6.231 2.357 ( 0.779 0.000 -0.928) 1.212 2.376 ( 2.017 0.000 0.584) 2.100 2.514 ( -1.858 0.000 -8.443) 8.645 2.574 ( -0.661 0.000 0.217) 0.696 2.584 ( -0.663 0.000 5.660) 5.698 2.657 ( 7.500 0.000 0.366) 7.509 2.727 ( 0.691 0.000 -7.254) 7.287 2.773 ( 4.440 0.000 0.510) 4.469 3.010 ( 2.469 0.000 2.638) 3.613 3.081 ( -0.138 0.000 -2.706) 2.710 3.210 ( 1.545 0.000 -3.476) 3.804 3.299 ( -6.338 0.000 1.583) 6.532 3.369 ( -4.217 0.000 -4.903) 6.467 3.421 ( 0.584 0.000 5.678) 5.708 3.716 ( -2.773 0.000 -0.525) 2.823 3.777 ( 0.329 0.000 1.088) 1.136 3.816 ( 4.326 0.000 3.138) 5.344 3.973 ( -0.621 0.000 -5.551) 5.585 4.002 ( -2.480 0.000 4.979) 5.562 4.021 ( 2.627 0.000 -1.841) 3.208 4.180 ( -0.078 0.000 -1.847) 1.849 4.285 ( 3.331 0.000 1.535) 3.668 4.341 ( 0.606 0.000 0.179) 0.632 4.378 ( -2.996 0.000 0.860) 3.117 4.397 ( -2.108 0.000 4.487) 4.958 4.466 ( 7.218 0.000 0.444) 7.232 4.532 ( 1.177 0.000 -1.294) 1.749 4.612 ( -0.466 0.000 1.113) 1.207 4.657 ( -0.830 0.000 -0.466) 0.952 4.794 ( 1.384 0.000 -1.946) 2.388 4.995 ( -0.089 0.000 -5.752) 5.753 5.192 ( 1.022 0.000 5.135) 5.236 5.276 ( 6.726 0.000 -0.379) 6.736 5.326 ( -3.664 0.000 1.519) 3.966 5.645 ( -13.009 0.000 -2.816) 13.310 19.607 ( 0.157 0.000 0.219) 0.270 19.622 ( 0.385 0.000 -0.293) 0.483 19.650 ( 0.185 0.000 0.021) 0.187 19.660 ( 0.309 0.000 -0.208) 0.373 19.803 ( -0.043 0.000 0.495) 0.496 19.824 ( 1.390 0.000 -0.536) 1.490 19.901 ( -0.307 0.000 0.319) 0.443 19.904 ( 0.725 0.000 -0.303) 0.786 25.079 ( 0.038 0.000 -0.187) 0.191 25.081 ( -0.272 0.000 -0.139) 0.305 25.113 ( 0.331 0.000 0.542) 0.635 25.129 ( -0.451 0.000 0.518) 0.687 31.238 ( 0.187 0.000 0.096) 0.210 31.239 ( 0.091 0.000 0.036) 0.098 31.244 ( 0.633 0.000 -0.093) 0.640 31.251 ( -0.004 0.000 -0.034) 0.034 41.140 ( 3.045 0.000 -1.706) 3.490 41.224 ( -5.551 0.000 1.327) 5.708 41.417 ( 3.174 0.000 4.231) 5.290 41.797 ( -9.486 0.000 -0.632) 9.507 42.058 ( 2.420 0.000 6.049) 6.515 42.667 ( -2.997 0.000 17.074) 17.335 42.941 ( 5.170 0.000 -21.018) 21.645 43.411 ( 16.183 0.000 -9.148) 18.590 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -10.022 0.000 3.290) 10.549 1.180 ( 1.878 0.000 -1.577) 2.452 1.408 ( 6.537 0.000 6.263) 9.053 1.451 ( 1.852 0.000 -2.787) 3.346 1.639 ( -6.223 0.000 -1.199) 6.338 1.658 ( -8.981 0.000 3.875) 9.781 1.813 ( -7.619 0.000 -6.182) 9.812 1.946 ( -1.422 0.000 -2.997) 3.317 2.002 ( 2.205 0.000 0.125) 2.209 2.144 ( -1.927 0.000 2.943) 3.518 2.193 ( 4.776 0.000 2.373) 5.333 2.199 ( -2.810 0.000 -1.483) 3.177 2.337 ( -2.707 0.000 2.282) 3.540 2.394 ( -0.733 0.000 0.317) 0.799 2.437 ( 5.475 0.000 2.669) 6.091 2.497 ( 2.313 0.000 -10.177) 10.436 2.569 ( -1.847 0.000 2.853) 3.398 2.575 ( 0.481 0.000 -2.108) 2.162 2.676 ( 1.355 0.000 -2.851) 3.157 2.716 ( -0.192 0.000 -3.360) 3.365 2.971 ( 6.018 0.000 3.165) 6.800 3.027 ( -4.852 0.000 5.067) 7.016 3.080 ( 2.121 0.000 -10.033) 10.254 3.129 ( -5.448 0.000 3.152) 6.294 3.237 ( -7.684 0.000 -3.982) 8.655 3.263 ( 3.595 0.000 -0.743) 3.671 3.462 ( 1.363 0.000 7.518) 7.640 3.653 ( -4.021 0.000 -0.947) 4.131 3.776 ( -1.031 0.000 2.179) 2.410 3.889 ( 1.855 0.000 -0.629) 1.958 3.919 ( -4.330 0.000 -0.268) 4.339 3.995 ( 4.599 0.000 0.550) 4.632 4.089 ( 2.706 0.000 -0.726) 2.802 4.115 ( -5.127 0.000 -3.736) 6.344 4.266 ( -3.768 0.000 2.034) 4.281 4.334 ( -1.166 0.000 0.818) 1.424 4.373 ( 0.112 0.000 3.490) 3.492 4.411 ( 1.933 0.000 0.492) 1.994 4.529 ( -0.763 0.000 -0.720) 1.050 4.575 ( 4.360 0.000 -2.245) 4.904 4.627 ( 2.024 0.000 0.110) 2.027 4.699 ( 4.635 0.000 1.758) 4.957 4.837 ( 2.814 0.000 -1.015) 2.991 4.960 ( -1.747 0.000 -6.690) 6.914 5.186 ( -3.479 0.000 3.838) 5.181 5.294 ( -0.261 0.000 3.613) 3.623 5.344 ( -10.619 0.000 -0.608) 10.637 5.485 ( 8.657 0.000 -1.952) 8.875 19.608 ( -0.153 0.000 0.229) 0.276 19.625 ( 0.016 0.000 -0.355) 0.355 19.653 ( 0.044 0.000 -0.002) 0.044 19.660 ( -0.148 0.000 -0.231) 0.275 19.798 ( -0.588 0.000 0.287) 0.654 19.844 ( 0.800 0.000 -0.659) 1.036 19.886 ( -1.226 0.000 0.352) 1.275 19.914 ( 0.380 0.000 -0.142) 0.406 25.075 ( -0.290 0.000 -0.116) 0.313 25.080 ( 0.048 0.000 -0.088) 0.100 25.121 ( 0.331 0.000 0.649) 0.728 25.122 ( -0.414 0.000 0.345) 0.539 31.239 ( -0.076 0.000 -0.050) 0.091 31.242 ( 0.184 0.000 0.151) 0.238 31.251 ( -0.003 0.000 -0.091) 0.091 31.256 ( 0.586 0.000 -0.222) 0.626 41.136 ( -3.506 0.000 -0.261) 3.516 41.216 ( 4.776 0.000 -0.609) 4.814 41.513 ( 5.402 0.000 7.190) 8.993 41.670 ( -3.377 0.000 -2.280) 4.075 42.094 ( -0.200 0.000 4.786) 4.790 42.607 ( -7.445 0.000 15.122) 16.855 42.927 ( -0.712 0.000 -18.717) 18.730 43.655 ( 11.916 0.000 -11.322) 16.437 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -11.109 0.000 6.065) 12.657 1.229 ( 3.787 0.000 -1.971) 4.269 1.405 ( -14.535 0.000 7.265) 16.249 1.493 ( 0.143 0.000 -3.609) 3.612 1.507 ( -0.526 0.000 -5.723) 5.747 1.532 ( -2.714 0.000 9.108) 9.504 1.668 ( -4.457 0.000 -5.321) 6.941 1.901 ( -2.417 0.000 -5.088) 5.633 2.030 ( 0.812 0.000 -1.499) 1.705 2.090 ( -3.495 0.000 1.921) 3.988 2.156 ( -3.109 0.000 -0.430) 3.139 2.266 ( -2.423 0.000 6.322) 6.770 2.274 ( -1.745 0.000 2.121) 2.746 2.351 ( -3.297 0.000 0.866) 3.409 2.512 ( 1.451 0.000 -0.833) 1.673 2.533 ( -0.297 0.000 0.887) 0.935 2.553 ( -1.488 0.000 -6.501) 6.669 2.569 ( 5.960 0.000 -7.625) 9.678 2.674 ( -18.238 0.000 9.699) 20.657 2.736 ( 3.290 0.000 0.199) 3.296 2.767 ( 4.034 0.000 1.392) 4.268 3.054 ( -7.571 0.000 -3.255) 8.242 3.098 ( -2.052 0.000 4.770) 5.193 3.129 ( 3.265 0.000 -15.237) 15.583 3.150 ( 4.423 0.000 2.232) 4.954 3.319 ( 1.576 0.000 0.304) 1.605 3.495 ( 0.218 0.000 8.744) 8.747 3.560 ( -5.303 0.000 -1.016) 5.400 3.748 ( -2.189 0.000 0.982) 2.400 3.855 ( -2.465 0.000 -0.469) 2.509 3.906 ( 1.034 0.000 -2.811) 2.995 4.000 ( -3.958 0.000 -4.008) 5.633 4.112 ( 0.044 0.000 -1.416) 1.416 4.119 ( 5.055 0.000 3.070) 5.915 4.214 ( -1.697 0.000 -1.013) 1.976 4.304 ( -1.196 0.000 -1.331) 1.790 4.355 ( -3.054 0.000 3.627) 4.741 4.418 ( -1.833 0.000 -0.936) 2.058 4.498 ( -2.338 0.000 -1.127) 2.595 4.654 ( 4.878 0.000 -1.954) 5.255 4.674 ( 1.548 0.000 -0.410) 1.602 4.781 ( 1.598 0.000 2.993) 3.393 4.880 ( 1.538 0.000 1.386) 2.070 4.929 ( 1.309 0.000 -3.147) 3.409 5.103 ( -5.245 0.000 2.380) 5.760 5.137 ( -8.144 0.000 0.391) 8.153 5.317 ( 1.626 0.000 6.437) 6.639 5.730 ( 15.710 0.000 -4.858) 16.444 19.603 ( -0.371 0.000 0.240) 0.442 19.621 ( -0.385 0.000 -0.444) 0.588 19.652 ( -0.033 0.000 -0.156) 0.159 19.655 ( -0.221 0.000 -0.226) 0.317 19.785 ( -0.718 0.000 0.154) 0.734 19.846 ( -0.441 0.000 -0.807) 0.920 19.861 ( -1.398 0.000 0.632) 1.534 19.914 ( -0.437 0.000 -0.166) 0.467 25.070 ( -0.154 0.000 0.021) 0.156 25.080 ( -0.002 0.000 0.029) 0.029 25.115 ( -0.348 0.000 0.212) 0.408 25.128 ( 0.217 0.000 0.734) 0.766 31.237 ( -0.112 0.000 -0.140) 0.179 31.245 ( 0.078 0.000 0.187) 0.203 31.251 ( 0.070 0.000 -0.046) 0.084 31.262 ( 0.182 0.000 -0.460) 0.495 41.095 ( -0.762 0.000 -0.738) 1.061 41.292 ( 2.749 0.000 0.530) 2.800 41.642 ( 5.285 0.000 10.350) 11.621 41.653 ( 1.849 0.000 -4.588) 4.947 42.078 ( -1.789 0.000 1.973) 2.663 42.463 ( -10.974 0.000 11.859) 16.157 42.857 ( -1.477 0.000 -17.522) 17.584 43.794 ( 5.768 0.000 -16.412) 17.396 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -10.202 0.000 9.297) 13.803 1.100 ( -18.303 0.000 10.186) 20.946 1.304 ( 4.463 0.000 -5.064) 6.751 1.391 ( -4.706 0.000 -10.801) 11.782 1.515 ( 2.255 0.000 -2.259) 3.192 1.535 ( -3.283 0.000 10.101) 10.621 1.639 ( -0.888 0.000 -0.847) 1.227 1.837 ( -3.438 0.000 -4.838) 5.935 1.990 ( -9.419 0.000 3.994) 10.230 1.990 ( -5.972 0.000 -4.102) 7.245 2.090 ( -9.462 0.000 6.961) 11.747 2.138 ( 1.805 0.000 3.126) 3.609 2.216 ( -3.430 0.000 4.431) 5.603 2.362 ( 0.988 0.000 5.539) 5.627 2.432 ( -6.305 0.000 1.448) 6.469 2.507 ( -2.004 0.000 0.257) 2.021 2.513 ( -1.882 0.000 -1.824) 2.621 2.523 ( -0.017 0.000 0.753) 0.753 2.691 ( 7.044 0.000 -6.700) 9.722 2.802 ( 1.198 0.000 -2.249) 2.548 2.866 ( 3.493 0.000 0.055) 3.493 2.919 ( -3.001 0.000 -1.632) 3.416 3.026 ( -5.505 0.000 4.660) 7.212 3.161 ( 3.398 0.000 -17.502) 17.829 3.216 ( 2.574 0.000 2.361) 3.493 3.323 ( -0.803 0.000 0.134) 0.814 3.464 ( -4.081 0.000 -1.055) 4.215 3.518 ( -0.393 0.000 9.594) 9.602 3.703 ( -2.462 0.000 0.199) 2.470 3.816 ( -1.692 0.000 -0.211) 1.705 3.906 ( -0.456 0.000 -1.025) 1.121 3.959 ( 0.449 0.000 -5.145) 5.164 4.084 ( -2.519 0.000 -1.562) 2.964 4.142 ( -2.582 0.000 0.205) 2.590 4.205 ( 0.922 0.000 -1.849) 2.066 4.249 ( -8.149 0.000 2.179) 8.435 4.342 ( 3.961 0.000 -1.596) 4.271 4.372 ( -1.745 0.000 -1.809) 2.513 4.439 ( -2.565 0.000 -0.484) 2.610 4.669 ( -0.979 0.000 -0.487) 1.094 4.720 ( -0.011 0.000 -2.093) 2.093 4.751 ( -4.087 0.000 1.897) 4.506 4.864 ( -3.907 0.000 4.083) 5.652 4.951 ( -3.118 0.000 5.956) 6.723 5.055 ( 0.633 0.000 3.831) 3.883 5.104 ( 6.764 0.000 -5.534) 8.739 5.409 ( 6.381 0.000 7.284) 9.683 6.027 ( 16.344 0.000 -6.049) 17.428 19.597 ( -0.291 0.000 0.183) 0.344 19.607 ( -0.899 0.000 -0.451) 1.006 19.654 ( 0.145 0.000 -0.129) 0.194 19.655 ( 0.423 0.000 -0.307) 0.523 19.774 ( -0.509 0.000 0.080) 0.515 19.827 ( -1.209 0.000 -0.589) 1.344 19.836 ( -1.446 0.000 0.591) 1.562 19.896 ( -1.376 0.000 -0.301) 1.409 25.072 ( 0.364 0.000 0.338) 0.497 25.080 ( -0.046 0.000 0.131) 0.139 25.110 ( -0.220 0.000 0.154) 0.269 25.132 ( -0.014 0.000 0.774) 0.774 31.235 ( -0.003 0.000 -0.154) 0.154 31.246 ( -0.011 0.000 0.159) 0.159 31.253 ( 0.032 0.000 0.090) 0.096 31.260 ( -0.248 0.000 -0.675) 0.719 41.100 ( 1.200 0.000 -0.452) 1.282 41.318 ( 0.017 0.000 0.502) 0.502 41.692 ( 3.136 0.000 -5.634) 6.448 41.715 ( -1.419 0.000 10.578) 10.673 42.082 ( 3.046 0.000 1.098) 3.238 42.264 ( -12.044 0.000 8.055) 14.490 42.782 ( -3.348 0.000 -18.784) 19.079 43.761 ( -5.214 0.000 -24.193) 24.749 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -6.625 0.000 12.359) 14.023 0.799 ( -15.576 0.000 13.549) 20.644 1.273 ( -15.713 0.000 4.127) 16.246 1.353 ( 2.958 0.000 -8.981) 9.455 1.353 ( -7.177 0.000 -1.331) 7.299 1.566 ( 1.500 0.000 -3.883) 4.163 1.611 ( -0.453 0.000 5.635) 5.653 1.736 ( -3.177 0.000 -3.409) 4.660 1.886 ( -0.971 0.000 10.921) 10.964 1.928 ( 0.352 0.000 -3.026) 3.046 2.042 ( -0.392 0.000 -1.234) 1.295 2.187 ( -1.020 0.000 6.157) 6.241 2.205 ( 3.035 0.000 4.055) 5.066 2.340 ( -1.038 0.000 -0.258) 1.070 2.406 ( 0.336 0.000 5.953) 5.962 2.448 ( -4.063 0.000 2.664) 4.858 2.497 ( 0.285 0.000 0.214) 0.356 2.538 ( 1.152 0.000 0.444) 1.235 2.679 ( -4.471 0.000 -4.970) 6.685 2.843 ( 5.533 0.000 -8.099) 9.808 2.876 ( -1.360 0.000 -1.924) 2.357 2.947 ( -3.844 0.000 3.761) 5.378 2.952 ( 3.208 0.000 -1.219) 3.432 3.167 ( 1.593 0.000 -15.276) 15.359 3.276 ( 3.175 0.000 1.432) 3.483 3.310 ( 0.080 0.000 -1.290) 1.292 3.417 ( -0.150 0.000 -2.060) 2.066 3.516 ( -1.802 0.000 6.939) 7.169 3.674 ( -0.156 0.000 1.405) 1.414 3.791 ( -0.736 0.000 -0.285) 0.789 3.906 ( 0.528 0.000 -0.349) 0.633 3.946 ( -1.401 0.000 -3.206) 3.499 4.041 ( -0.600 0.000 0.906) 1.086 4.074 ( -8.637 0.000 1.038) 8.699 4.098 ( -0.754 0.000 -2.492) 2.604 4.259 ( 3.260 0.000 1.087) 3.437 4.290 ( -5.773 0.000 -1.194) 5.896 4.358 ( 1.367 0.000 -1.629) 2.126 4.487 ( 3.312 0.000 -1.186) 3.518 4.561 ( -10.478 0.000 2.439) 10.758 4.650 ( -0.897 0.000 0.004) 0.897 4.715 ( -3.622 0.000 -1.376) 3.874 4.833 ( 1.332 0.000 0.101) 1.335 4.886 ( -3.871 0.000 3.400) 5.152 5.115 ( 3.121 0.000 4.830) 5.751 5.246 ( 7.198 0.000 -3.592) 8.044 5.560 ( 6.288 0.000 9.904) 11.731 6.273 ( 9.549 0.000 -7.754) 12.301 19.592 ( -0.214 0.000 0.129) 0.250 19.593 ( -0.330 0.000 -0.196) 0.384 19.660 ( 0.460 0.000 -0.091) 0.469 19.663 ( 0.435 0.000 -0.266) 0.510 19.769 ( 0.048 0.000 -0.057) 0.074 19.798 ( -1.690 0.000 -0.270) 1.711 19.816 ( -0.768 0.000 0.381) 0.858 19.864 ( -1.798 0.000 -0.320) 1.826 25.079 ( -0.039 0.000 0.202) 0.206 25.088 ( 1.092 0.000 0.250) 1.120 25.111 ( 0.460 0.000 0.414) 0.619 25.130 ( -0.332 0.000 0.714) 0.787 31.236 ( 0.079 0.000 -0.091) 0.121 31.244 ( -0.213 0.000 0.019) 0.214 31.252 ( -0.181 0.000 0.197) 0.268 31.255 ( 0.079 0.000 -0.446) 0.453 41.131 ( 2.027 0.000 0.369) 2.060 41.306 ( -0.996 0.000 -0.102) 1.001 41.656 ( -5.439 0.000 4.982) 7.376 41.739 ( 3.194 0.000 -5.687) 6.522 42.071 ( -9.206 0.000 5.165) 10.556 42.190 ( 6.074 0.000 5.709) 8.336 42.508 ( -25.128 0.000 -19.530) 31.826 43.489 ( -14.232 0.000 -23.418) 27.404 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -1.839 -3.541 12.687) 13.300 0.786 ( -4.136 12.016 11.960) 17.451 1.156 ( -4.175 -4.407 2.205) 6.459 1.296 ( -2.529 9.205 4.312) 10.474 1.422 ( 2.054 2.748 -9.022) 9.652 1.537 ( 5.456 8.509 -2.822) 10.494 1.692 ( -3.058 -0.241 3.151) 4.398 1.735 ( 2.785 -4.656 -0.364) 5.438 1.904 ( 1.936 1.180 2.752) 3.565 1.941 ( -0.120 -2.939 -1.806) 3.452 1.960 ( 1.419 -2.403 4.945) 5.678 2.120 ( 0.304 -1.740 3.815) 4.204 2.294 ( 0.803 -1.825 0.697) 2.112 2.351 ( -1.135 0.366 1.535) 1.944 2.359 ( 0.519 -3.229 3.150) 4.541 2.439 ( 1.709 -1.048 0.294) 2.026 2.471 ( -2.101 1.276 3.132) 3.981 2.567 ( 0.124 -1.005 2.067) 2.301 2.721 ( 3.490 3.450 -2.954) 5.728 2.808 ( -1.010 -3.452 3.432) 4.971 2.851 ( -1.611 0.953 -2.919) 3.467 2.912 ( -0.371 -0.895 -2.593) 2.768 2.995 ( 1.187 1.357 -7.283) 7.503 3.177 ( 1.037 1.322 -11.411) 11.534 3.253 ( 1.629 -3.774 -0.979) 4.226 3.347 ( 1.207 -0.273 -2.809) 3.069 3.440 ( 5.254 -2.086 -0.497) 5.675 3.448 ( -2.506 -1.896 1.727) 3.586 3.701 ( 4.609 -1.741 2.418) 5.489 3.748 ( 0.345 -1.870 -0.113) 1.905 3.907 ( -0.715 -0.252 -1.309) 1.513 3.930 ( -5.406 -0.475 1.587) 5.654 3.942 ( -2.357 1.865 -0.529) 3.052 4.056 ( 3.693 -2.379 1.348) 4.595 4.125 ( -2.976 3.083 -4.110) 5.938 4.185 ( -1.149 -1.196 -1.416) 2.181 4.374 ( 2.217 0.610 -0.020) 2.299 4.406 ( -4.638 1.864 -1.114) 5.121 4.520 ( 8.712 6.440 0.558) 10.848 4.558 ( -1.886 1.892 -0.399) 2.701 4.604 ( -3.211 -3.344 -1.880) 5.003 4.616 ( 1.532 -1.225 -0.359) 1.994 4.820 ( 1.338 -3.412 1.526) 3.970 4.853 ( -1.486 0.647 0.514) 1.700 5.191 ( 0.287 3.155 5.619) 6.451 5.475 ( 2.729 11.775 -2.909) 12.432 5.601 ( 0.869 -5.425 11.242) 12.513 6.185 ( -3.423 -8.143 -5.748) 10.538 19.597 ( 0.206 0.588 0.002) 0.623 19.601 ( -0.127 0.958 -0.131) 0.975 19.663 ( -0.108 -0.396 -0.097) 0.422 19.665 ( -0.098 -0.373 -0.152) 0.415 19.768 ( -0.349 -0.292 0.043) 0.457 19.775 ( 0.611 -0.135 -0.121) 0.637 19.808 ( -0.021 -0.080 0.387) 0.396 19.830 ( -0.874 -0.413 -0.264) 1.002 25.079 ( 0.043 0.000 0.233) 0.237 25.093 ( 0.088 -0.331 -0.139) 0.370 25.121 ( -0.319 -0.213 0.530) 0.654 25.128 ( 0.884 -0.672 0.519) 1.226 31.235 ( -0.145 -0.033 -0.023) 0.151 31.243 ( -0.111 0.129 -0.178) 0.246 31.245 ( -0.329 -0.134 0.092) 0.366 31.256 ( 0.186 -0.421 -0.083) 0.467 41.313 ( -2.277 4.751 -0.297) 5.277 41.434 ( 10.388 12.094 -5.447) 16.848 41.574 ( -2.189 1.177 0.555) 2.547 41.692 ( -5.844 -1.269 -1.779) 6.239 41.996 ( 5.075 3.207 3.534) 6.966 42.177 ( -15.739 15.472 -5.642) 22.780 42.305 ( 0.482 2.749 6.490) 7.065 43.173 ( -9.310 -4.998 -17.658) 20.578 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 7.808 -3.777 9.650) 12.975 0.898 ( 10.613 10.180 8.309) 16.891 1.151 ( 3.574 -7.875 -2.598) 9.029 1.292 ( 2.252 13.001 5.682) 14.366 1.507 ( 7.411 2.352 -5.696) 9.638 1.611 ( -2.808 0.467 1.861) 3.401 1.667 ( 5.750 7.773 -1.394) 9.769 1.796 ( 2.722 -5.177 -0.232) 5.854 1.942 ( 2.491 -5.316 2.007) 6.204 1.991 ( 4.119 2.838 -1.470) 5.213 2.019 ( 4.685 -0.555 2.597) 5.386 2.123 ( -1.125 -0.151 4.656) 4.792 2.279 ( -1.355 3.431 3.142) 4.846 2.317 ( -1.870 -4.259 -0.940) 4.745 2.394 ( 1.810 -3.638 3.055) 5.084 2.473 ( -0.486 -0.719 0.926) 1.269 2.480 ( 1.480 -2.427 2.523) 3.801 2.618 ( 4.818 -0.636 0.807) 4.927 2.701 ( -4.170 0.096 -4.372) 6.042 2.803 ( -1.641 -3.967 1.295) 4.484 2.840 ( 1.686 3.973 -1.704) 4.640 2.886 ( -1.150 -0.439 -1.655) 2.063 3.022 ( 4.112 1.454 -6.993) 8.241 3.165 ( -0.012 1.519 -5.028) 5.253 3.265 ( 0.188 -3.969 -3.419) 5.242 3.361 ( 1.119 -0.703 -4.186) 4.390 3.407 ( -1.025 0.478 -0.297) 1.169 3.550 ( 5.567 -2.290 0.718) 6.062 3.756 ( 0.582 -0.983 0.250) 1.169 3.821 ( 5.393 -2.259 3.648) 6.892 3.857 ( -2.009 -0.609 -0.148) 2.105 3.889 ( 0.064 0.780 -1.083) 1.336 3.949 ( 1.864 -0.468 -0.343) 1.953 4.047 ( -2.385 1.809 -3.280) 4.440 4.125 ( 2.326 0.688 -0.195) 2.433 4.209 ( 3.015 -2.190 -1.440) 3.995 4.344 ( -0.263 2.824 0.084) 2.837 4.437 ( -1.678 1.768 0.047) 2.439 4.455 ( -2.130 0.959 -1.388) 2.717 4.537 ( -1.814 -3.750 -0.296) 4.176 4.683 ( 3.673 -1.706 -0.864) 4.141 4.707 ( 5.781 0.642 1.621) 6.039 4.814 ( 0.477 -1.992 0.273) 2.067 4.877 ( 1.542 -1.960 1.204) 2.770 5.185 ( -1.640 3.137 3.264) 4.815 5.458 ( -3.658 11.519 -1.291) 12.155 5.592 ( -4.274 -4.676 10.223) 12.026 6.052 ( -6.777 -3.273 -6.002) 9.627 19.592 ( -0.345 0.341 0.052) 0.488 19.602 ( 0.083 0.663 0.048) 0.670 19.649 ( -0.850 -0.644 -0.144) 1.076 19.663 ( -0.367 -0.419 -0.096) 0.565 19.769 ( 0.356 0.036 0.034) 0.360 19.785 ( 0.331 0.030 0.132) 0.358 19.825 ( 1.584 -0.129 0.492) 1.664 19.838 ( 1.608 -0.077 -0.599) 1.717 25.081 ( 0.025 0.018 0.155) 0.158 25.091 ( -0.174 -0.233 -0.171) 0.337 25.113 ( -0.406 0.092 0.314) 0.521 25.141 ( 0.101 -0.973 0.586) 1.140 31.232 ( -0.115 -0.037 0.008) 0.121 31.238 ( -0.331 0.043 0.028) 0.335 31.242 ( -0.034 -0.162 -0.145) 0.220 31.254 ( -0.328 -0.321 0.123) 0.475 41.213 ( -5.735 4.186 0.425) 7.113 41.497 ( -2.205 -0.823 -1.275) 2.677 41.524 ( -3.184 14.622 -1.071) 15.003 41.821 ( 13.815 -2.593 -1.827) 14.175 42.011 ( 2.685 12.379 -4.549) 13.459 42.195 ( 14.524 6.856 1.218) 16.107 42.406 ( 5.179 -2.099 11.359) 12.659 42.960 ( -8.117 -4.561 -17.729) 20.025 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 12.231 -2.909 5.625) 13.774 1.103 ( 9.337 4.095 2.679) 10.541 1.208 ( 2.484 -0.751 -4.545) 5.233 1.449 ( 9.043 2.612 1.832) 9.590 1.580 ( 0.257 2.791 3.368) 4.381 1.630 ( 5.828 2.421 0.548) 6.335 1.746 ( 3.071 1.971 -0.792) 3.734 1.860 ( 4.500 -0.220 -2.713) 5.259 2.018 ( 5.253 -3.087 3.771) 7.166 2.091 ( 3.274 -0.267 -0.135) 3.288 2.098 ( 1.988 3.653 -1.986) 4.609 2.127 ( 5.147 -0.411 0.076) 5.164 2.265 ( -1.959 -0.922 0.237) 2.178 2.297 ( -0.113 -0.999 4.104) 4.226 2.415 ( -0.466 -0.589 1.340) 1.536 2.449 ( -1.526 -1.772 2.499) 3.422 2.508 ( 0.795 -3.264 0.963) 3.495 2.604 ( -3.661 2.138 -1.742) 4.583 2.696 ( 3.104 -3.140 -4.213) 6.103 2.768 ( -1.830 -1.687 0.592) 2.558 2.801 ( -3.759 4.811 -1.756) 6.353 2.944 ( 4.789 -1.488 -0.297) 5.024 3.086 ( 3.073 1.262 -6.007) 6.864 3.156 ( -0.227 -0.096 0.303) 0.391 3.265 ( 1.373 -3.332 -2.737) 4.526 3.369 ( 0.629 -1.727 -3.192) 3.684 3.416 ( 1.738 1.205 -1.383) 2.527 3.641 ( 3.764 -2.906 1.797) 5.083 3.764 ( 0.207 -0.064 0.434) 0.485 3.838 ( -1.362 -0.039 -0.262) 1.387 3.865 ( -0.241 -2.093 -3.808) 4.353 3.918 ( 2.843 1.187 3.802) 4.893 4.006 ( 3.657 -4.831 2.691) 6.630 4.053 ( 3.704 1.639 -0.963) 4.163 4.170 ( 1.623 2.477 -1.592) 3.362 4.267 ( 3.565 -1.813 -3.904) 5.589 4.318 ( -1.794 5.718 -0.095) 5.993 4.386 ( 1.015 -0.675 -0.027) 1.219 4.460 ( -1.507 1.274 -0.442) 2.022 4.532 ( 1.587 -2.229 0.467) 2.775 4.710 ( -0.880 0.297 1.072) 1.418 4.734 ( -1.815 -1.043 3.361) 3.960 4.847 ( 0.138 -2.832 0.909) 2.977 4.902 ( 2.022 -1.524 -0.387) 2.562 5.170 ( -0.056 2.983 1.084) 3.175 5.352 ( -6.781 8.430 1.899) 10.984 5.509 ( -5.964 -1.412 5.983) 8.565 5.938 ( -4.238 -3.660 -7.536) 9.389 19.592 ( 0.303 -0.103 0.151) 0.353 19.605 ( 0.201 0.370 0.111) 0.436 19.637 ( -0.144 -0.705 -0.364) 0.807 19.653 ( -0.544 -0.431 0.015) 0.694 19.780 ( 0.765 0.157 0.130) 0.791 19.794 ( 0.600 0.309 0.268) 0.726 19.859 ( 1.669 0.001 0.239) 1.686 19.873 ( 1.991 0.275 -0.595) 2.096 25.081 ( -0.034 -0.005 -0.032) 0.047 25.087 ( -0.180 -0.209 -0.142) 0.310 25.109 ( -0.127 0.288 0.305) 0.439 25.139 ( -0.356 -0.591 0.727) 1.002 31.231 ( 0.008 0.041 -0.011) 0.043 31.234 ( -0.027 -0.022 0.042) 0.054 31.240 ( -0.198 -0.141 -0.005) 0.243 31.250 ( -0.048 0.038 0.092) 0.110 41.133 ( -3.101 1.476 1.038) 3.588 41.407 ( -5.785 0.284 2.956) 6.503 41.506 ( -0.248 10.750 -3.043) 11.175 41.897 ( -0.198 -3.394 5.099) 6.129 42.167 ( 3.779 3.403 0.350) 5.097 42.436 ( 6.308 -2.604 -0.772) 6.868 42.612 ( 17.536 4.866 -1.630) 18.271 42.876 ( 6.555 -1.818 -15.186) 16.640 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 11.408 -1.410 3.882) 12.132 1.230 ( 1.229 1.716 -3.162) 3.802 1.276 ( 7.536 2.181 0.955) 7.904 1.485 ( -2.420 3.089 -0.188) 3.929 1.627 ( 3.179 -0.241 -1.086) 3.368 1.757 ( 4.184 -0.809 1.960) 4.691 1.801 ( 2.945 -1.185 2.122) 3.819 1.921 ( 2.766 -1.108 -3.007) 4.234 2.023 ( -3.834 -2.201 2.132) 4.908 2.158 ( -0.223 0.326 -3.304) 3.327 2.198 ( 3.674 -0.714 -0.465) 3.771 2.231 ( 9.211 1.435 -0.589) 9.341 2.239 ( 0.778 -1.981 0.387) 2.163 2.302 ( 0.295 3.503 1.560) 3.846 2.392 ( -2.212 0.003 -4.161) 4.712 2.463 ( 4.453 -0.668 4.737) 6.535 2.515 ( 0.459 -2.226 -0.546) 2.337 2.586 ( 0.920 1.489 3.808) 4.191 2.687 ( -2.641 1.546 -2.486) 3.942 2.733 ( -2.231 0.144 -2.760) 3.552 2.783 ( 2.725 1.700 -0.438) 3.241 2.987 ( 0.357 0.088 -1.719) 1.758 3.092 ( -1.029 0.692 -1.254) 1.763 3.164 ( 0.763 -2.593 -1.330) 3.013 3.298 ( 1.678 -3.017 -1.300) 3.689 3.369 ( -0.281 -2.773 -1.229) 3.046 3.444 ( 0.944 1.493 -1.213) 2.143 3.706 ( 2.478 -3.606 2.112) 4.858 3.770 ( -0.494 0.582 0.403) 0.863 3.776 ( -2.236 0.044 -0.585) 2.311 3.875 ( 1.161 -4.491 -3.601) 5.872 3.979 ( 2.488 1.771 3.513) 4.655 4.076 ( 1.268 -4.418 4.626) 6.521 4.125 ( 2.832 -0.668 1.170) 3.136 4.179 ( 1.877 1.133 -1.419) 2.611 4.283 ( -0.227 -0.602 -2.306) 2.394 4.374 ( 4.649 2.888 -1.624) 5.709 4.424 ( 2.200 3.354 0.515) 4.044 4.441 ( 1.485 0.038 -0.334) 1.522 4.565 ( 1.437 1.711 -0.365) 2.264 4.668 ( -3.142 2.165 3.143) 4.943 4.696 ( -2.549 -1.435 -0.381) 2.950 4.819 ( -1.670 0.678 -0.496) 1.869 4.946 ( 2.142 -3.462 -2.550) 4.804 5.183 ( 0.426 2.043 2.341) 3.136 5.255 ( -2.841 3.964 3.120) 5.790 5.416 ( -4.567 1.504 2.040) 5.224 5.816 ( -7.649 -4.106 -5.593) 10.327 19.602 ( 0.605 -0.052 0.077) 0.612 19.610 ( 0.319 -0.006 0.159) 0.356 19.642 ( 0.585 -0.651 -0.608) 1.066 19.645 ( -0.355 -0.627 0.249) 0.762 19.797 ( 0.912 0.212 0.285) 0.978 19.807 ( 0.785 0.432 0.145) 0.908 19.885 ( 1.021 0.159 0.024) 1.034 19.904 ( 1.251 0.469 -0.463) 1.414 25.080 ( -0.032 0.002 -0.186) 0.189 25.084 ( -0.141 -0.133 -0.112) 0.224 25.110 ( 0.109 0.269 0.411) 0.503 25.133 ( -0.392 -0.337 0.655) 0.834 31.234 ( 0.252 -0.012 -0.004) 0.253 31.235 ( 0.147 -0.047 0.049) 0.162 31.239 ( 0.100 0.187 0.022) 0.213 31.251 ( 0.117 0.041 0.016) 0.125 41.098 ( -0.691 -0.218 0.717) 1.019 41.304 ( -5.917 -1.958 3.391) 7.095 41.486 ( -0.878 8.784 -1.246) 8.915 41.880 ( -4.080 -5.301 2.139) 7.023 42.122 ( -3.805 5.932 3.945) 8.076 42.526 ( 2.883 -8.038 5.787) 10.316 42.903 ( 13.181 6.225 -11.844) 18.782 43.101 ( 16.919 -0.682 -9.265) 19.302 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 5.455 1.509 0.549) 5.687 1.246 ( 2.261 1.797 1.539) 3.273 1.338 ( -2.728 0.270 2.030) 3.412 1.446 ( 1.067 3.545 -2.673) 4.566 1.691 ( 1.605 -0.528 -2.246) 2.811 1.758 ( -2.937 -4.772 -1.894) 5.915 1.834 ( 0.564 -0.019 1.888) 1.970 1.953 ( -2.679 -2.221 2.968) 4.573 1.978 ( 1.978 -1.279 -0.944) 2.538 2.108 ( -3.198 -0.799 -1.338) 3.557 2.204 ( -0.096 -1.139 -0.995) 1.516 2.288 ( -1.355 3.386 0.457) 3.676 2.307 ( 3.482 -2.269 1.545) 4.434 2.340 ( 1.808 1.302 -1.428) 2.646 2.361 ( 0.550 -0.208 -0.577) 0.824 2.518 ( 2.296 -1.144 -3.197) 4.099 2.564 ( 0.056 -0.331 1.502) 1.539 2.630 ( -2.308 3.620 0.494) 4.321 2.679 ( 3.365 2.176 -4.667) 6.152 2.732 ( 7.245 -2.844 2.368) 8.135 2.816 ( 1.058 6.382 -3.629) 7.418 3.004 ( 2.257 -0.632 2.208) 3.220 3.059 ( -1.430 -1.792 -2.042) 3.070 3.176 ( 1.066 -2.316 -2.047) 3.270 3.275 ( -4.903 -2.309 -0.521) 5.444 3.338 ( -3.245 -3.191 -0.224) 4.557 3.442 ( -0.477 1.809 1.666) 2.505 3.686 ( -3.156 -3.339 -0.819) 4.667 3.777 ( 1.273 -0.141 0.993) 1.620 3.806 ( 2.786 -0.420 2.430) 3.720 3.894 ( 2.396 -3.537 -1.066) 4.403 4.029 ( 1.339 1.817 3.033) 3.780 4.056 ( -2.340 -0.496 -1.235) 2.692 4.159 ( 0.049 -1.503 1.155) 1.896 4.220 ( -0.355 -4.947 2.798) 5.695 4.266 ( 0.795 -1.356 -0.857) 1.790 4.417 ( 0.360 3.136 -0.057) 3.157 4.467 ( 2.824 2.865 -3.179) 5.127 4.510 ( 2.964 2.726 2.835) 4.925 4.584 ( 0.732 3.862 -0.873) 4.027 4.637 ( -0.287 2.328 0.423) 2.383 4.660 ( 0.071 0.139 -0.983) 0.996 4.808 ( 1.066 1.250 -1.721) 2.379 4.963 ( 0.652 -3.085 -4.755) 5.706 5.192 ( 0.029 0.309 5.477) 5.485 5.270 ( 2.432 -0.726 0.786) 2.657 5.355 ( -1.592 2.898 0.292) 3.319 5.617 ( -12.127 -2.818 -2.343) 12.669 19.611 ( 0.218 0.381 0.053) 0.442 19.617 ( 0.322 -0.446 -0.056) 0.553 19.638 ( -0.363 -1.006 0.320) 1.116 19.654 ( 0.698 -0.537 -0.477) 1.001 19.810 ( 0.225 0.519 0.504) 0.758 19.825 ( 1.055 0.111 -0.122) 1.067 19.897 ( 0.248 0.307 0.019) 0.395 19.917 ( 0.383 0.615 -0.526) 0.895 25.079 ( 0.008 0.000 -0.168) 0.168 25.081 ( -0.183 -0.010 -0.129) 0.224 25.114 ( 0.239 0.118 0.515) 0.580 25.127 ( -0.376 -0.187 0.503) 0.655 31.238 ( 0.197 0.014 0.019) 0.198 31.240 ( 0.223 0.052 0.117) 0.257 31.243 ( 0.409 0.094 -0.098) 0.431 31.253 ( 0.111 0.105 -0.078) 0.172 41.116 ( 2.399 -1.332 0.566) 2.801 41.207 ( -4.710 -1.756 2.658) 5.686 41.485 ( 1.034 5.626 1.239) 5.853 41.760 ( -6.680 -2.969 -1.041) 7.384 42.117 ( 0.593 5.016 5.236) 7.275 42.554 ( -1.881 -8.543 8.088) 11.914 43.046 ( 5.204 7.824 -11.909) 15.169 43.388 ( 14.885 -2.321 -8.583) 17.339 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -9.036 0.933 3.213) 9.636 1.217 ( -0.582 2.779 -2.437) 3.742 1.385 ( 4.915 -0.913 4.009) 6.408 1.495 ( 3.704 3.191 -1.164) 5.025 1.608 ( -8.065 -0.108 -1.287) 8.167 1.666 ( -5.596 -4.911 -3.161) 8.088 1.821 ( -5.761 4.120 1.586) 7.258 1.916 ( -0.572 -2.623 -1.536) 3.093 1.997 ( 0.390 -1.097 0.465) 1.254 2.071 ( -0.631 -4.868 -0.776) 4.970 2.209 ( 0.210 1.847 2.077) 2.788 2.275 ( 0.115 3.666 1.355) 3.910 2.313 ( -1.326 -0.876 -3.046) 3.436 2.340 ( -0.251 -3.083 1.070) 3.273 2.429 ( 3.339 -0.693 2.702) 4.351 2.538 ( 0.882 1.676 -5.569) 5.882 2.585 ( 1.002 0.781 -1.483) 1.953 2.608 ( 1.201 3.292 -0.379) 3.525 2.673 ( 0.784 0.374 -2.581) 2.723 2.769 ( -2.168 3.544 -1.421) 4.390 2.939 ( 6.848 -2.134 1.984) 7.442 3.034 ( -7.178 1.200 5.111) 8.893 3.055 ( 1.702 -2.098 -8.285) 8.715 3.100 ( -2.752 -2.456 1.157) 3.866 3.228 ( 0.410 -2.781 -1.704) 3.288 3.236 ( -5.388 -1.508 -0.102) 5.596 3.453 ( 0.498 -0.239 4.992) 5.022 3.617 ( -4.019 -3.535 -0.999) 5.445 3.791 ( -0.424 1.292 1.522) 2.041 3.852 ( 1.788 -1.433 -0.539) 2.354 3.965 ( -0.746 2.086 2.353) 3.232 3.994 ( 3.465 0.333 -0.265) 3.491 4.073 ( 0.557 -1.009 -0.421) 1.228 4.119 ( -2.342 0.451 -3.568) 4.292 4.199 ( -1.111 -4.112 4.018) 5.856 4.300 ( 0.942 -3.002 1.567) 3.515 4.408 ( -0.907 2.029 -1.281) 2.565 4.480 ( -1.092 6.209 0.106) 6.305 4.545 ( -0.184 0.201 0.460) 0.534 4.597 ( 2.424 2.331 -2.880) 4.428 4.657 ( 1.957 2.379 -0.722) 3.164 4.699 ( 3.035 -0.208 1.019) 3.209 4.845 ( 2.546 0.840 -0.987) 2.857 4.955 ( 0.281 -0.805 -5.313) 5.381 5.193 ( -1.995 0.480 3.627) 4.168 5.278 ( -1.073 -1.508 3.741) 4.174 5.340 ( -10.043 0.054 -0.055) 10.044 5.458 ( 6.079 -2.375 -1.481) 6.693 19.610 ( -0.267 -0.073 0.073) 0.286 19.619 ( -0.287 -0.482 -0.080) 0.566 19.633 ( -0.152 -1.032 0.134) 1.051 19.664 ( 0.334 -0.207 -0.356) 0.530 19.809 ( -0.364 0.882 0.347) 1.015 19.841 ( 0.510 -0.277 -0.104) 0.590 19.891 ( -0.864 0.666 0.018) 1.091 19.921 ( 0.153 0.405 -0.535) 0.688 25.076 ( -0.251 0.073 -0.107) 0.282 25.080 ( 0.023 -0.018 -0.087) 0.091 25.120 ( 0.255 -0.038 0.604) 0.657 25.121 ( -0.341 -0.059 0.360) 0.500 31.240 ( -0.020 0.085 -0.046) 0.099 31.244 ( 0.147 0.145 0.147) 0.253 31.249 ( 0.183 -0.045 -0.141) 0.235 31.257 ( 0.368 0.087 -0.211) 0.433 41.131 ( -2.012 -0.297 1.305) 2.416 41.205 ( 4.750 -1.332 1.115) 5.058 41.529 ( 2.556 1.997 3.633) 4.870 41.678 ( -0.768 0.266 -2.194) 2.340 42.126 ( -1.314 3.055 4.475) 5.576 42.494 ( -6.344 -8.405 7.445) 12.897 43.057 ( -0.545 10.140 -11.137) 15.071 43.605 ( 10.228 -4.895 -10.426) 15.404 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -11.884 0.708 4.689) 12.796 1.220 ( 0.971 -1.514 -2.925) 3.434 1.409 ( -12.028 1.389 2.820) 12.432 1.465 ( 2.840 -1.018 0.314) 3.034 1.535 ( -2.124 0.212 4.269) 4.773 1.603 ( 1.579 0.840 -5.330) 5.622 1.660 ( -9.081 4.588 -0.367) 10.181 1.888 ( -2.074 -0.448 -3.637) 4.210 2.000 ( 0.053 -4.951 1.712) 5.239 2.053 ( -1.871 -2.008 -1.173) 2.985 2.189 ( -3.443 3.977 0.326) 5.271 2.277 ( -3.324 -0.210 1.372) 3.602 2.293 ( 0.513 -0.308 1.572) 1.682 2.317 ( -1.383 0.186 1.803) 2.280 2.467 ( 0.165 -2.329 -1.300) 2.673 2.552 ( -0.659 2.086 -0.925) 2.375 2.576 ( 0.987 -0.006 -2.290) 2.493 2.636 ( 3.297 5.702 -6.299) 9.114 2.698 ( -12.303 1.910 6.211) 13.914 2.748 ( -0.766 0.527 1.953) 2.162 2.779 ( 0.876 1.232 2.512) 2.932 2.978 ( -4.364 -4.184 -0.594) 6.075 3.093 ( -0.073 -1.710 -3.383) 3.791 3.128 ( 2.826 -0.746 -8.060) 8.573 3.161 ( 0.500 0.212 1.528) 1.622 3.249 ( 0.834 -6.265 0.667) 6.356 3.470 ( -0.283 -1.730 6.213) 6.456 3.529 ( -4.889 -2.815 -0.825) 5.702 3.763 ( -2.715 1.565 0.899) 3.260 3.852 ( -1.922 0.010 -1.116) 2.222 3.955 ( 1.539 2.063 -0.987) 2.756 4.012 ( -2.426 2.739 -1.923) 4.133 4.100 ( 1.247 -0.478 -1.312) 1.873 4.121 ( 2.162 -0.493 -0.086) 2.219 4.220 ( 3.298 -1.208 2.761) 4.468 4.281 ( -3.131 0.276 0.267) 3.154 4.382 ( -1.862 -0.396 -2.308) 2.992 4.437 ( -2.599 5.097 -0.539) 5.746 4.516 ( -2.847 0.245 -0.195) 2.865 4.647 ( 1.288 -0.144 -1.269) 1.814 4.692 ( 2.565 1.109 -2.888) 4.019 4.739 ( 0.727 -2.882 2.493) 3.879 4.876 ( 0.257 0.786 0.830) 1.172 4.987 ( 4.365 1.761 -2.211) 5.200 5.140 ( -7.363 0.614 2.805) 7.903 5.146 ( -3.865 5.218 1.055) 6.579 5.287 ( 0.934 -2.776 6.793) 7.398 5.659 ( 13.535 -6.678 -4.093) 15.638 19.604 ( -0.395 -0.171 0.323) 0.538 19.607 ( -0.619 -1.099 -0.154) 1.271 19.632 ( 0.087 -0.482 -0.238) 0.545 19.666 ( 0.057 0.007 -0.257) 0.263 19.799 ( -0.741 1.022 0.180) 1.275 19.840 ( -0.596 -0.553 -0.169) 0.831 19.870 ( -1.329 0.943 0.127) 1.635 19.917 ( -0.533 0.110 -0.553) 0.776 25.071 ( -0.155 0.113 0.006) 0.192 25.080 ( -0.023 -0.066 0.015) 0.072 25.116 ( -0.288 0.068 0.255) 0.390 25.126 ( 0.169 -0.159 0.677) 0.716 31.238 ( -0.094 0.153 -0.109) 0.210 31.246 ( 0.043 0.115 0.084) 0.148 31.251 ( 0.095 -0.004 -0.072) 0.119 31.262 ( 0.127 -0.052 -0.402) 0.425 41.117 ( 0.461 2.208 1.064) 2.494 41.304 ( 4.615 0.084 0.871) 4.697 41.582 ( 2.397 -0.932 2.602) 3.659 41.721 ( 4.282 2.232 0.665) 4.875 42.089 ( -2.976 1.140 1.970) 3.747 42.359 ( -9.257 -7.778 6.020) 13.507 42.995 ( -2.579 11.347 -11.983) 16.703 43.714 ( 4.023 -7.687 -14.692) 17.063 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -12.177 -0.199 6.747) 13.923 1.172 ( -13.490 4.804 6.895) 15.893 1.229 ( 0.578 -6.606 -6.097) 9.009 1.480 ( -3.700 -2.598 3.969) 6.016 1.509 ( -2.829 2.842 -2.009) 4.486 1.523 ( 0.842 6.008 -1.973) 6.379 1.648 ( 1.522 1.141 -0.921) 2.114 1.841 ( -1.692 -0.917 -2.681) 3.300 1.969 ( -6.169 0.239 -3.451) 7.073 2.012 ( -0.701 -6.580 3.774) 7.618 2.090 ( -10.328 6.227 5.234) 13.147 2.112 ( -8.323 2.077 2.925) 9.063 2.301 ( -0.246 3.069 0.883) 3.203 2.329 ( 0.754 -2.608 3.737) 4.619 2.420 ( -5.909 0.646 1.132) 6.051 2.463 ( -3.801 -0.645 2.036) 4.359 2.545 ( -0.850 1.543 2.253) 2.860 2.576 ( 0.143 2.030 -0.574) 2.115 2.738 ( 6.608 3.943 -6.409) 10.014 2.771 ( -2.994 -2.208 -1.938) 4.194 2.833 ( 2.554 -2.370 1.736) 3.893 2.912 ( 0.536 -0.565 -1.512) 1.701 3.018 ( -5.654 -1.953 2.394) 6.443 3.158 ( 2.687 -1.453 -10.768) 11.193 3.194 ( 1.813 -0.915 -1.653) 2.618 3.281 ( 2.201 -4.002 -1.046) 4.686 3.438 ( -3.957 -2.080 0.020) 4.470 3.477 ( -0.792 -2.858 6.644) 7.276 3.706 ( -2.902 1.043 0.016) 3.084 3.802 ( -2.772 -0.523 -0.407) 2.850 3.940 ( -1.250 -0.192 -3.570) 3.787 4.014 ( -0.287 3.821 1.963) 4.305 4.093 ( 0.251 2.360 -5.395) 5.894 4.129 ( -1.915 -1.948 0.551) 2.786 4.230 ( -1.128 2.051 -1.170) 2.617 4.248 ( -4.128 1.438 1.174) 4.526 4.355 ( 1.329 1.214 -2.055) 2.731 4.395 ( -1.187 2.501 -1.659) 3.227 4.451 ( -2.549 0.439 -0.285) 2.602 4.632 ( -1.168 -2.358 -1.167) 2.879 4.706 ( -3.041 -2.054 1.982) 4.171 4.759 ( 1.543 -1.027 -2.986) 3.514 4.830 ( -5.768 1.568 4.382) 7.411 4.998 ( -4.859 -0.511 1.311) 5.059 5.075 ( 1.408 3.770 7.633) 8.629 5.196 ( 8.659 8.472 -3.303) 12.556 5.370 ( 5.935 -3.605 7.076) 9.913 5.920 ( 14.541 -9.774 -4.967) 18.210 19.592 ( -0.579 -0.842 0.162) 1.035 19.605 ( 0.053 0.504 -0.041) 0.508 19.636 ( 0.487 -0.776 -0.283) 0.959 19.667 ( 0.114 0.032 -0.222) 0.252 19.783 ( -0.889 0.740 0.107) 1.162 19.820 ( -1.448 -0.693 -0.125) 1.610 19.844 ( -1.405 0.885 0.132) 1.666 19.896 ( -1.477 -0.111 -0.600) 1.598 25.072 ( 0.226 0.032 0.266) 0.351 25.079 ( -0.016 -0.081 0.108) 0.136 25.112 ( -0.189 0.167 0.217) 0.332 25.129 ( -0.028 -0.233 0.704) 0.742 31.237 ( -0.015 0.157 -0.111) 0.193 31.246 ( -0.042 0.088 0.003) 0.098 31.253 ( 0.033 -0.073 0.056) 0.098 31.259 ( -0.265 -0.066 -0.587) 0.648 41.152 ( 2.949 4.779 1.086) 5.720 41.365 ( 1.681 3.346 0.048) 3.745 41.634 ( 2.107 -1.830 1.952) 3.405 41.775 ( -0.219 2.554 1.878) 3.178 42.068 ( 1.818 -1.262 0.660) 2.310 42.186 ( -9.971 -6.034 4.460) 12.479 42.906 ( -4.210 10.740 -15.299) 19.161 43.662 ( -5.604 -9.189 -20.870) 23.482 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -10.286 -1.359 9.440) 14.027 0.942 ( -12.600 8.893 10.345) 18.571 1.217 ( -0.210 -10.114 -7.699) 12.713 1.393 ( -7.642 3.048 6.593) 10.543 1.460 ( -1.040 5.387 -5.961) 8.101 1.520 ( -4.529 9.298 -0.126) 10.343 1.637 ( 1.942 -1.572 1.406) 2.867 1.790 ( -3.952 0.402 1.984) 4.440 1.876 ( -0.804 1.672 1.085) 2.150 1.933 ( -1.313 0.345 4.081) 4.300 1.996 ( -4.349 -4.045 1.763) 6.196 2.086 ( 2.112 -1.517 2.387) 3.530 2.276 ( -0.914 -2.471 -0.966) 2.806 2.349 ( 0.294 -1.108 3.898) 4.063 2.362 ( -1.335 2.255 3.306) 4.219 2.437 ( -0.725 -1.670 -0.553) 1.902 2.520 ( -2.165 2.484 3.900) 5.106 2.591 ( -1.360 1.598 2.836) 3.528 2.672 ( -1.144 -0.137 -4.966) 5.098 2.817 ( 1.650 0.688 -1.986) 2.672 2.873 ( -0.242 -2.864 0.292) 2.889 2.917 ( 0.083 -1.391 -2.746) 3.079 2.976 ( 1.663 1.384 -1.863) 2.855 3.175 ( 2.387 -0.160 -14.685) 14.879 3.222 ( 1.321 -2.628 1.278) 3.207 3.321 ( 2.338 -0.942 -2.032) 3.238 3.392 ( -0.408 -2.060 -0.311) 2.123 3.472 ( -1.369 -3.478 5.954) 7.030 3.668 ( -0.799 0.363 -0.177) 0.895 3.758 ( -1.513 -1.400 -0.267) 2.079 3.917 ( -0.440 -0.278 -2.542) 2.595 3.985 ( -2.092 0.034 2.129) 2.985 4.042 ( -3.169 0.699 -1.500) 3.575 4.067 ( -7.073 -0.495 0.226) 7.094 4.158 ( -0.089 4.597 -3.863) 6.005 4.245 ( -2.747 -0.550 -1.307) 3.091 4.350 ( 1.356 4.502 0.362) 4.716 4.376 ( 2.040 3.298 -1.674) 4.224 4.483 ( 2.178 -0.657 -0.271) 2.291 4.593 ( -5.462 -0.268 -0.829) 5.531 4.609 ( -2.371 -1.871 -0.011) 3.020 4.721 ( -6.030 0.224 2.840) 6.669 4.781 ( 1.612 -1.395 -1.248) 2.470 4.912 ( -4.303 0.936 1.898) 4.795 5.143 ( 2.902 3.056 7.214) 8.354 5.370 ( 8.760 10.206 -3.071) 13.796 5.509 ( 5.788 -4.507 9.083) 11.676 6.144 ( 9.052 -11.257 -5.657) 15.513 19.589 ( 0.301 0.031 0.127) 0.328 19.605 ( -0.096 1.039 -0.099) 1.048 19.650 ( 0.930 -0.773 -0.196) 1.225 19.669 ( 0.072 -0.054 -0.228) 0.245 19.770 ( -0.384 0.112 0.067) 0.406 19.790 ( -1.574 -0.620 0.031) 1.692 19.819 ( -1.093 0.437 0.084) 1.180 19.861 ( -1.928 -0.327 -0.496) 2.017 25.078 ( 0.079 -0.105 0.250) 0.282 25.084 ( 0.704 -0.280 0.275) 0.806 25.112 ( 0.202 0.126 0.383) 0.451 25.128 ( -0.279 -0.228 0.638) 0.733 31.237 ( -0.014 0.083 -0.061) 0.104 31.245 ( -0.082 0.102 -0.111) 0.171 31.251 ( -0.294 -0.070 0.062) 0.309 31.254 ( -0.015 -0.173 -0.364) 0.403 41.235 ( 5.742 7.472 0.631) 9.445 41.377 ( 0.059 6.047 -1.069) 6.141 41.635 ( -3.268 -1.190 3.771) 5.130 41.757 ( -0.083 0.875 -4.533) 4.618 42.016 ( -7.109 -3.121 3.257) 8.420 42.162 ( 5.247 -2.729 4.883) 7.669 42.679 ( -18.269 14.119 -18.734) 29.733 43.419 ( -12.299 -6.744 -21.224) 25.440 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -1.736 13.049 1.114) 13.211 0.873 ( -0.844 -15.824 -3.685) 16.269 1.081 ( -1.939 15.565 6.938) 17.151 1.375 ( 1.100 -11.039 3.372) 11.594 1.528 ( 1.210 5.713 -6.753) 8.928 1.612 ( 0.678 0.395 -0.930) 1.217 1.714 ( -1.618 1.347 4.544) 5.008 1.771 ( 3.222 5.697 -1.376) 6.688 1.866 ( -2.064 2.735 5.765) 6.706 1.937 ( 1.720 -0.278 0.813) 1.923 1.973 ( 1.227 3.047 2.564) 4.167 2.095 ( 2.473 -3.515 1.735) 4.635 2.225 ( -1.540 -2.230 1.176) 2.955 2.259 ( -0.079 -3.616 1.439) 3.893 2.387 ( 0.735 0.537 2.193) 2.375 2.415 ( 0.075 -2.104 2.032) 2.926 2.506 ( -1.209 0.641 0.538) 1.470 2.531 ( -1.023 -0.162 1.798) 2.075 2.737 ( -2.666 -0.244 3.124) 4.114 2.805 ( -1.767 -4.943 -1.014) 5.346 2.820 ( 1.296 4.478 0.635) 4.705 2.896 ( 1.332 -2.004 -0.289) 2.424 3.063 ( 1.812 4.906 -9.846) 11.149 3.154 ( 1.742 -3.669 -10.676) 11.422 3.236 ( 1.154 2.401 -1.029) 2.856 3.308 ( 1.495 -3.578 -1.908) 4.322 3.400 ( 3.383 -0.663 0.306) 3.461 3.414 ( 1.060 -1.508 0.203) 1.854 3.689 ( 2.082 0.604 0.329) 2.193 3.715 ( 0.495 -1.628 -0.023) 1.702 3.908 ( -1.371 0.475 -0.995) 1.759 3.920 ( -3.751 -0.551 -0.148) 3.794 3.976 ( -1.008 1.498 0.699) 1.936 4.009 ( 1.861 -2.004 1.090) 2.944 4.176 ( -2.545 1.550 -3.825) 4.849 4.184 ( -1.609 0.444 -2.522) 3.024 4.399 ( 0.570 2.597 -0.830) 2.785 4.446 ( -4.233 1.831 -2.104) 5.069 4.494 ( 0.978 -4.909 -0.971) 5.098 4.514 ( -1.128 -3.374 -0.641) 3.615 4.631 ( 5.195 3.665 1.774) 6.601 4.665 ( -1.475 1.037 2.130) 2.791 4.801 ( -0.185 1.673 0.656) 1.807 4.845 ( -2.602 -1.646 0.137) 3.082 5.292 ( 0.075 6.846 9.159) 11.435 5.449 ( 0.234 -8.281 11.642) 14.289 5.739 ( 3.305 13.107 -5.294) 14.517 5.986 ( 1.517 -11.421 -5.361) 12.707 19.616 ( 0.258 1.211 0.053) 1.239 19.625 ( -0.503 1.117 -0.276) 1.256 19.646 ( 0.316 -1.044 0.034) 1.091 19.652 ( -0.439 -0.922 -0.176) 1.036 19.766 ( 0.164 0.104 0.166) 0.255 19.770 ( 0.462 -0.303 0.114) 0.565 19.810 ( -0.363 0.335 -0.113) 0.506 19.820 ( -0.695 -0.575 -0.327) 0.959 25.080 ( 0.121 0.126 0.230) 0.289 25.085 ( 0.182 -0.355 0.153) 0.427 25.118 ( 0.000 -0.009 0.510) 0.510 25.120 ( -0.013 -0.240 0.475) 0.532 31.237 ( -0.183 0.211 0.004) 0.279 31.242 ( -0.280 -0.238 0.054) 0.371 31.245 ( -0.161 0.117 -0.324) 0.380 31.248 ( -0.016 -0.266 -0.197) 0.331 41.416 ( -1.940 5.020 1.376) 5.555 41.493 ( 0.302 -2.222 0.884) 2.410 41.630 ( 3.293 2.520 -1.800) 4.521 41.665 ( -1.737 -1.388 -1.158) 2.507 42.082 ( 6.691 5.146 4.384) 9.511 42.186 ( 5.773 -4.804 5.753) 9.461 42.685 ( -13.155 21.099 -19.135) 31.375 43.010 ( -9.424 -11.769 -19.140) 24.365 ======================= Grid point 109 (62/96) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 6.411 10.331 0.883) 12.190 0.874 ( 2.532 -13.886 -3.338) 14.504 1.167 ( 8.587 13.308 4.339) 16.422 1.410 ( 1.760 -8.229 2.206) 8.700 1.557 ( 3.460 4.961 -5.526) 8.193 1.657 ( 2.925 -3.709 -1.379) 4.921 1.710 ( 0.838 7.209 4.165) 8.368 1.842 ( 2.065 -5.099 3.333) 6.431 1.896 ( 5.395 10.703 2.742) 12.295 1.986 ( 3.304 -1.015 1.652) 3.831 2.052 ( 5.839 3.063 0.739) 6.635 2.164 ( 1.676 3.149 1.373) 3.822 2.213 ( 2.577 -8.160 0.878) 8.602 2.239 ( -1.533 -3.591 -1.082) 4.052 2.388 ( -1.409 2.456 1.021) 3.009 2.443 ( 0.990 -2.317 3.134) 4.021 2.489 ( -0.824 1.753 0.494) 1.999 2.544 ( 1.453 -3.893 -0.033) 4.155 2.705 ( -1.545 -0.654 3.204) 3.617 2.737 ( -2.993 -2.904 2.134) 4.684 2.857 ( 1.393 1.758 -1.182) 2.536 2.898 ( -0.833 -0.892 -1.045) 1.607 3.083 ( 2.864 3.775 -8.335) 9.588 3.159 ( 1.572 -3.389 -7.848) 8.691 3.242 ( -0.398 3.173 -1.791) 3.666 3.318 ( 0.373 -3.353 -2.990) 4.508 3.426 ( 1.004 1.635 -0.327) 1.946 3.481 ( 3.857 -3.763 0.741) 5.439 3.745 ( 2.210 0.131 -0.156) 2.219 3.767 ( 4.468 -2.074 0.605) 4.963 3.872 ( -0.504 0.924 0.010) 1.053 3.887 ( 0.153 -0.623 -0.257) 0.691 3.977 ( -0.440 3.045 -0.341) 3.096 4.044 ( -0.514 -2.798 -0.748) 2.942 4.154 ( 2.321 2.297 -2.390) 4.046 4.183 ( 2.619 -0.319 -2.507) 3.640 4.389 ( -0.463 1.408 -0.921) 1.745 4.422 ( 1.160 -2.091 0.903) 2.556 4.488 ( -0.046 0.218 0.562) 0.605 4.508 ( -2.275 0.223 -0.448) 2.330 4.644 ( 0.853 0.987 0.695) 1.478 4.697 ( 0.268 -2.156 2.585) 3.377 4.816 ( 1.283 1.170 -0.306) 1.763 4.844 ( 2.095 -1.514 0.260) 2.598 5.287 ( -2.271 6.802 6.912) 9.960 5.439 ( -3.822 -7.860 10.401) 13.586 5.722 ( -3.260 12.052 -4.763) 13.362 5.933 ( -4.726 -8.597 -5.599) 11.295 19.606 ( -0.865 0.919 0.077) 1.265 19.617 ( -0.461 0.446 0.102) 0.649 19.635 ( -0.726 -0.371 -0.189) 0.837 19.648 ( -0.345 -1.019 -0.020) 1.076 19.774 ( 0.503 0.382 0.225) 0.671 19.782 ( 0.536 -0.342 0.226) 0.674 19.826 ( 1.860 0.264 -0.125) 1.883 19.833 ( 1.940 -0.376 -0.570) 2.056 25.082 ( -0.011 0.122 0.095) 0.155 25.086 ( -0.100 -0.258 -0.024) 0.277 25.116 ( -0.117 0.248 0.435) 0.514 25.124 ( 0.130 -0.594 0.631) 0.876 31.234 ( -0.128 0.149 0.016) 0.197 31.237 ( -0.280 -0.117 0.040) 0.306 31.242 ( -0.072 0.146 -0.241) 0.291 31.247 ( -0.063 -0.367 -0.045) 0.375 41.327 ( -6.301 6.432 1.497) 9.128 41.442 ( -4.707 -4.545 1.294) 6.670 41.678 ( 2.313 3.987 0.066) 4.610 41.752 ( 6.711 -3.732 -0.348) 7.686 42.239 ( 5.505 6.675 5.782) 10.406 42.343 ( 7.219 -4.107 9.408) 12.549 42.490 ( 1.770 19.641 -19.218) 27.536 42.805 ( -5.653 -11.465 -19.904) 23.655 ======================= Grid point 110 (63/96) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 11.430 6.243 0.858) 13.052 0.968 ( 7.850 -10.007 -2.414) 12.946 1.347 ( 7.560 7.943 1.278) 11.040 1.461 ( 3.590 -2.705 0.636) 4.539 1.601 ( 1.810 2.477 -3.366) 4.555 1.685 ( 0.596 -4.766 -3.255) 5.802 1.766 ( 3.597 6.955 4.393) 8.978 1.877 ( 0.977 -3.287 5.017) 6.077 2.015 ( 3.685 3.462 2.579) 5.676 2.065 ( 3.521 -1.908 -0.588) 4.047 2.163 ( 5.396 3.941 -0.872) 6.739 2.178 ( 2.585 2.688 -1.286) 3.945 2.221 ( 0.915 0.584 -1.751) 2.060 2.296 ( 2.976 -2.354 1.039) 3.935 2.378 ( 0.788 -0.464 0.712) 1.159 2.434 ( -1.616 -2.620 0.012) 3.079 2.482 ( 0.421 1.739 2.188) 2.827 2.559 ( 0.495 -4.992 -2.194) 5.475 2.696 ( 0.444 1.704 1.327) 2.205 2.726 ( 0.854 -1.729 3.608) 4.091 2.850 ( -3.303 0.819 0.743) 3.483 2.887 ( 0.885 -3.127 -0.102) 3.251 3.126 ( 3.338 2.532 -6.917) 8.087 3.186 ( 2.749 -2.075 -4.456) 5.632 3.216 ( -1.623 3.417 -2.484) 4.525 3.310 ( -0.447 -4.163 -2.831) 5.054 3.454 ( 1.882 3.152 0.583) 3.717 3.547 ( 2.863 -5.659 1.585) 6.537 3.781 ( 1.505 1.683 -0.057) 2.258 3.817 ( 1.193 -1.755 -1.833) 2.804 3.854 ( -2.657 1.300 -1.602) 3.363 3.906 ( 0.517 -3.988 1.396) 4.256 3.984 ( 2.198 3.914 3.232) 5.531 4.052 ( 2.523 -2.121 2.211) 3.969 4.206 ( 2.664 1.605 -2.121) 3.765 4.243 ( 3.421 -1.458 -4.099) 5.534 4.404 ( 0.154 3.451 -0.502) 3.491 4.424 ( 0.558 2.476 -0.458) 2.579 4.476 ( 0.060 0.322 -0.910) 0.967 4.503 ( 1.895 -0.875 2.585) 3.323 4.677 ( 0.423 -2.322 -1.100) 2.604 4.690 ( 0.354 -2.551 3.875) 4.653 4.837 ( 0.321 1.583 -0.604) 1.725 4.873 ( 0.696 -1.640 -0.959) 2.023 5.257 ( -2.023 5.345 4.479) 7.261 5.366 ( -5.978 -4.891 8.348) 11.373 5.625 ( -5.160 10.490 -3.655) 12.249 5.819 ( -5.507 -8.213 -5.337) 11.237 19.597 ( -0.033 0.580 0.236) 0.627 19.609 ( -0.226 -0.308 0.258) 0.461 19.627 ( -0.093 0.085 -0.377) 0.398 19.639 ( -0.485 -0.866 0.036) 0.993 19.787 ( 0.814 0.462 0.341) 0.996 19.795 ( 0.767 -0.236 0.338) 0.870 19.865 ( 2.001 0.484 -0.290) 2.079 19.873 ( 2.180 -0.270 -0.701) 2.306 25.081 ( -0.057 0.052 -0.065) 0.101 25.083 ( -0.119 -0.158 -0.110) 0.226 25.116 ( -0.050 0.431 0.449) 0.624 25.126 ( -0.085 -0.597 0.633) 0.874 31.232 ( -0.041 0.042 0.017) 0.061 31.233 ( -0.064 -0.049 0.039) 0.090 31.241 ( 0.085 0.251 -0.105) 0.285 31.247 ( 0.088 -0.272 -0.023) 0.287 41.217 ( -5.583 6.059 2.598) 8.639 41.340 ( -6.285 -5.529 2.679) 8.790 41.707 ( -0.172 7.590 -1.007) 7.658 41.822 ( 0.432 -4.427 1.001) 4.559 42.266 ( -0.917 6.081 1.307) 6.288 42.373 ( -2.848 -4.169 4.111) 6.511 42.718 ( 18.314 5.519 -10.033) 21.599 42.817 ( 11.883 -4.138 -13.830) 18.698 ======================= Grid point 111 (64/96) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 11.693 3.849 1.140) 12.362 1.131 ( 8.792 -6.365 -1.515) 10.959 1.421 ( 1.019 7.465 -0.501) 7.551 1.528 ( 2.172 -1.087 -0.401) 2.462 1.628 ( 2.005 0.234 -3.032) 3.642 1.655 ( -2.747 -4.320 -3.933) 6.456 1.847 ( 3.075 3.581 5.904) 7.559 1.914 ( 2.216 -1.856 3.416) 4.474 2.012 ( -2.754 1.719 -0.020) 3.246 2.078 ( -1.373 -4.440 -1.304) 4.827 2.212 ( 0.488 0.528 -2.184) 2.299 2.220 ( 2.174 -0.308 -1.188) 2.497 2.305 ( 3.047 4.076 2.671) 5.747 2.347 ( 3.977 1.214 -0.256) 4.166 2.386 ( -0.416 -1.140 -2.033) 2.368 2.421 ( 0.936 -1.961 -2.113) 3.031 2.529 ( 4.138 2.338 0.839) 4.826 2.586 ( 2.797 -2.372 0.782) 3.750 2.714 ( 1.005 3.314 -1.431) 3.747 2.772 ( -4.281 3.328 1.819) 5.719 2.787 ( 4.499 -1.212 1.222) 4.817 2.905 ( 1.520 -7.485 -0.163) 7.639 3.152 ( -0.248 3.946 -4.783) 6.206 3.172 ( -1.495 3.863 -1.255) 4.328 3.228 ( 1.736 -3.331 -2.863) 4.723 3.290 ( -1.370 -5.155 -0.606) 5.368 3.490 ( 1.316 3.713 0.858) 4.032 3.596 ( 1.577 -6.422 1.589) 6.801 3.781 ( -2.349 0.761 -1.087) 2.698 3.799 ( -1.142 -0.017 -0.836) 1.415 3.829 ( 1.661 2.052 0.437) 2.676 3.926 ( 1.958 -6.291 1.977) 6.879 4.052 ( 2.259 2.955 6.471) 7.464 4.104 ( 1.156 -1.843 3.859) 4.430 4.225 ( -0.193 2.080 -2.552) 3.298 4.258 ( -0.248 -1.477 -2.623) 3.020 4.434 ( 3.806 2.846 -2.074) 5.185 4.460 ( 2.167 0.581 -2.827) 3.610 4.499 ( 3.049 3.395 0.753) 4.625 4.558 ( 3.115 -2.329 -0.310) 3.902 4.673 ( -0.135 0.536 0.511) 0.753 4.698 ( -0.740 -0.189 0.513) 0.920 4.832 ( -0.211 1.000 -0.886) 1.353 4.873 ( 0.383 -3.156 -2.473) 4.028 5.233 ( -1.713 2.711 3.507) 4.753 5.279 ( -4.200 -1.457 5.623) 7.168 5.525 ( -4.704 8.490 -2.024) 9.914 5.696 ( -6.793 -7.796 -3.635) 10.960 19.604 ( 0.604 0.363 0.346) 0.785 19.611 ( 0.275 -0.062 0.326) 0.431 19.628 ( 0.216 -0.505 -0.398) 0.678 19.631 ( -0.307 -0.599 -0.189) 0.699 19.804 ( 0.893 0.422 0.456) 1.088 19.811 ( 0.784 -0.130 0.424) 0.901 19.895 ( 1.293 0.724 -0.427) 1.542 19.906 ( 1.410 -0.249 -0.713) 1.599 25.080 ( -0.026 0.038 -0.154) 0.161 25.081 ( -0.051 -0.105 -0.115) 0.164 25.116 ( -0.018 0.397 0.461) 0.609 25.125 ( -0.180 -0.445 0.564) 0.741 31.234 ( 0.196 0.019 0.027) 0.199 31.234 ( 0.180 -0.055 0.037) 0.191 31.244 ( 0.225 0.339 -0.054) 0.411 31.250 ( 0.184 -0.197 -0.039) 0.272 41.138 ( -3.283 3.926 2.994) 5.929 41.232 ( -5.597 -4.807 3.519) 8.174 41.661 ( -3.482 7.694 -1.840) 8.643 41.783 ( -4.238 -4.933 -0.646) 6.535 42.239 ( -1.407 5.991 3.318) 6.991 42.370 ( 1.092 -7.290 2.994) 7.956 43.011 ( 14.128 4.346 -8.498) 17.050 43.075 ( 15.648 -2.144 -8.400) 17.889 ======================= Grid point 112 (65/96) ======================= q-point: ( 0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 6.585 1.785 1.628) 7.014 1.250 ( 3.229 -1.750 0.602) 3.721 1.410 ( -1.667 7.038 -1.477) 7.382 1.541 ( -0.437 5.577 -1.987) 5.936 1.582 ( -1.933 -9.573 -3.715) 10.449 1.646 ( 0.145 -4.222 -2.385) 4.852 1.910 ( 2.057 3.624 3.469) 5.422 1.937 ( -4.312 2.532 0.587) 5.035 1.972 ( 2.676 -1.312 0.954) 3.129 2.017 ( -4.909 -5.214 -0.921) 7.220 2.220 ( 0.951 1.563 0.574) 1.917 2.255 ( 1.838 -2.251 0.608) 2.969 2.335 ( -0.265 1.516 -2.458) 2.900 2.361 ( -1.577 -0.665 -2.770) 3.256 2.396 ( 3.265 3.661 1.800) 5.225 2.471 ( 3.727 -3.375 0.829) 5.096 2.575 ( -0.006 1.633 1.120) 1.980 2.628 ( -1.122 -3.406 0.131) 3.589 2.726 ( 0.669 3.314 -2.475) 4.190 2.746 ( 3.505 1.953 -2.802) 4.894 2.898 ( 6.268 1.530 -0.991) 6.527 2.954 ( 3.592 -4.182 -1.550) 5.727 3.092 ( -4.118 5.946 1.045) 7.308 3.160 ( -0.635 0.627 -2.562) 2.713 3.219 ( -2.513 -2.812 -1.333) 4.000 3.243 ( -3.753 -5.820 2.080) 7.231 3.495 ( -0.977 3.683 0.639) 3.863 3.590 ( -2.331 -5.507 0.174) 5.982 3.774 ( 1.864 0.328 0.309) 1.918 3.792 ( 1.176 -1.235 -0.747) 1.862 3.890 ( 4.045 3.032 3.441) 6.116 3.978 ( 2.456 -5.101 2.258) 6.095 4.074 ( -0.774 2.075 3.416) 4.071 4.116 ( -0.491 -2.200 4.265) 4.824 4.205 ( -1.575 1.475 -1.948) 2.907 4.238 ( -1.063 -1.588 -1.976) 2.749 4.482 ( 1.151 2.569 -0.459) 2.853 4.503 ( 2.760 0.510 -2.396) 3.691 4.559 ( 2.306 2.649 -0.371) 3.532 4.610 ( 2.145 -1.558 -0.874) 2.791 4.676 ( 0.896 1.748 -1.449) 2.441 4.686 ( 0.255 1.442 -1.916) 2.411 4.837 ( 1.266 1.640 -1.451) 2.530 4.888 ( 1.685 -3.720 -2.645) 4.865 5.212 ( -1.244 1.582 4.656) 5.073 5.246 ( -0.687 -1.589 2.671) 3.183 5.436 ( -4.168 4.984 -0.627) 6.527 5.538 ( -9.052 -4.842 -1.348) 10.354 19.609 ( -0.288 -0.034 0.426) 0.515 19.618 ( -0.439 -0.790 0.614) 1.093 19.623 ( 0.530 0.708 -0.454) 0.994 19.640 ( 0.856 -0.850 -0.623) 1.358 19.820 ( 0.521 0.427 0.596) 0.899 19.825 ( 0.650 -0.129 0.471) 0.813 19.911 ( 0.456 0.820 -0.537) 1.081 19.922 ( 0.476 -0.184 -0.778) 0.930 25.079 ( -0.016 0.027 -0.134) 0.137 25.080 ( -0.068 -0.034 -0.118) 0.140 25.118 ( 0.030 0.221 0.476) 0.526 25.123 ( -0.194 -0.262 0.476) 0.577 31.238 ( 0.258 0.027 0.029) 0.262 31.239 ( 0.298 -0.059 0.058) 0.310 31.249 ( 0.245 0.318 -0.091) 0.411 31.253 ( 0.191 -0.123 -0.111) 0.253 41.114 ( 0.066 1.257 3.057) 3.306 41.158 ( -2.823 -2.793 3.814) 5.507 41.602 ( -1.765 5.507 -1.626) 6.007 41.694 ( -3.761 -3.767 -2.055) 5.706 42.235 ( -0.724 6.671 4.273) 7.955 42.383 ( -1.289 -8.170 4.350) 9.345 43.199 ( 7.795 7.029 -7.836) 13.099 43.318 ( 11.595 -4.797 -7.587) 14.663 ======================= Grid point 113 (66/96) ======================= q-point: (-0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -7.413 2.648 2.184) 8.169 1.244 ( -4.007 -0.927 -0.173) 4.117 1.409 ( 2.845 4.049 -0.794) 5.012 1.526 ( -0.927 -6.635 -5.835) 8.884 1.572 ( 1.598 3.473 0.919) 3.932 1.619 ( -3.951 -0.093 -1.181) 4.124 1.843 ( -4.237 -0.438 1.099) 4.399 1.904 ( -5.319 -5.255 -0.107) 7.478 1.955 ( 0.293 3.546 0.763) 3.639 2.012 ( 1.258 -1.896 -0.228) 2.287 2.252 ( 1.623 2.433 1.616) 3.341 2.294 ( 1.956 -1.064 0.473) 2.276 2.311 ( -1.666 0.301 -3.208) 3.627 2.324 ( -0.716 0.155 -1.291) 1.485 2.447 ( 0.847 3.372 2.942) 4.555 2.537 ( 0.850 -3.135 0.130) 3.251 2.596 ( 0.708 0.193 -1.612) 1.771 2.603 ( 3.873 -1.276 -0.316) 4.090 2.731 ( 0.300 3.623 -2.569) 4.451 2.785 ( -0.115 -1.728 -1.241) 2.130 2.970 ( -0.102 4.335 -0.848) 4.418 3.015 ( 3.463 -1.420 -7.058) 7.989 3.058 ( -0.164 -0.447 -0.952) 1.064 3.073 ( -6.839 1.771 4.415) 8.330 3.158 ( -3.166 -3.637 -1.005) 4.925 3.172 ( -3.970 -4.028 4.413) 7.174 3.472 ( -1.428 2.156 1.359) 2.921 3.535 ( -3.146 -4.024 -0.069) 5.108 3.815 ( 1.287 1.016 0.166) 1.648 3.833 ( 2.521 -0.835 -0.716) 2.751 3.991 ( 4.953 1.283 3.551) 6.228 4.008 ( 0.737 0.040 0.207) 0.767 4.071 ( 0.021 1.137 1.857) 2.178 4.112 ( -1.029 -2.277 2.650) 3.642 4.164 ( -0.852 1.698 -1.006) 2.150 4.225 ( 0.458 -3.851 -0.591) 3.923 4.471 ( -1.883 3.491 -1.032) 4.098 4.526 ( -0.705 -1.551 -0.375) 1.744 4.591 ( 1.454 3.774 -1.324) 4.256 4.639 ( 2.221 -0.137 -3.285) 3.968 4.678 ( -0.670 1.172 -0.696) 1.519 4.703 ( 0.673 0.151 -2.346) 2.446 4.872 ( 2.565 1.935 -1.192) 3.427 4.921 ( 2.685 -2.530 -2.936) 4.715 5.206 ( -1.087 1.064 4.338) 4.597 5.239 ( -1.675 -2.131 4.298) 5.081 5.359 ( -6.447 1.817 0.120) 6.699 5.405 ( -0.034 -2.652 -0.577) 2.714 19.601 ( -0.581 -0.360 0.214) 0.715 19.604 ( -0.881 -0.665 0.368) 1.163 19.635 ( 0.493 0.812 -0.247) 0.982 19.652 ( 0.526 -0.814 -0.417) 1.055 19.825 ( -0.146 0.635 0.547) 0.851 19.835 ( 0.089 -0.375 0.502) 0.633 19.910 ( -0.418 0.972 -0.607) 1.219 19.923 ( -0.116 -0.274 -0.840) 0.891 25.077 ( -0.154 0.093 -0.092) 0.202 25.079 ( -0.050 -0.058 -0.085) 0.114 25.120 ( 0.066 -0.011 0.504) 0.508 25.120 ( -0.159 -0.050 0.412) 0.444 31.242 ( 0.091 0.112 -0.013) 0.145 31.244 ( 0.167 -0.088 0.046) 0.194 31.252 ( 0.172 0.280 -0.150) 0.361 31.257 ( 0.226 -0.138 -0.195) 0.329 41.135 ( 0.760 0.916 3.356) 3.561 41.167 ( 3.270 -2.091 3.527) 5.244 41.593 ( 1.065 3.924 -1.072) 4.205 41.660 ( 1.133 -2.297 -2.391) 3.504 42.209 ( -3.353 5.156 3.916) 7.292 42.332 ( -5.111 -7.279 4.089) 9.790 43.271 ( 2.077 10.694 -8.054) 13.547 43.467 ( 6.241 -8.693 -8.667) 13.771 ======================= Grid point 114 (67/96) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -10.598 5.143 1.635) 11.893 1.143 ( -5.969 -5.976 -1.248) 8.538 1.454 ( -2.143 1.291 3.426) 4.242 1.462 ( -4.899 1.198 -0.325) 5.054 1.530 ( -1.159 1.171 -3.082) 3.495 1.587 ( -0.215 -2.162 -2.014) 2.963 1.760 ( -3.186 4.087 0.142) 5.184 1.867 ( -0.570 -6.696 2.175) 7.063 1.927 ( -2.601 4.093 -0.819) 4.918 2.007 ( -1.835 -3.318 -1.308) 4.011 2.267 ( -1.753 2.363 -0.777) 3.043 2.273 ( 0.102 1.299 -1.394) 1.908 2.302 ( -2.284 0.690 -0.060) 2.386 2.328 ( 0.252 -0.339 1.028) 1.111 2.459 ( 0.268 2.231 0.463) 2.294 2.534 ( -0.346 -3.809 0.034) 3.825 2.604 ( 0.411 2.900 -1.132) 3.140 2.670 ( 0.645 -3.430 -0.344) 3.507 2.752 ( 3.277 3.428 -3.153) 5.695 2.776 ( -0.656 0.772 1.560) 1.860 2.833 ( -11.823 5.580 5.921) 14.352 2.944 ( -4.573 -0.906 0.478) 4.687 3.024 ( -2.858 -3.516 -2.958) 5.411 3.081 ( 0.330 -4.249 -3.170) 5.312 3.144 ( 1.724 -1.704 -0.011) 2.424 3.150 ( 2.474 -1.110 0.073) 2.713 3.450 ( -1.303 -0.017 2.020) 2.404 3.472 ( -3.393 -2.257 -0.079) 4.076 3.803 ( -2.395 2.231 0.119) 3.275 3.841 ( -1.792 -1.319 -1.012) 2.445 3.994 ( -1.799 2.634 0.135) 3.192 4.056 ( -1.424 -3.160 0.774) 3.552 4.081 ( 2.190 2.915 -0.842) 3.742 4.119 ( 2.002 -0.558 -2.536) 3.278 4.215 ( 5.487 1.011 3.150) 6.407 4.253 ( 1.757 -2.459 1.498) 3.373 4.421 ( -2.591 3.447 -2.375) 4.923 4.486 ( -2.822 -2.568 -0.974) 3.938 4.565 ( -3.660 6.473 -2.217) 7.759 4.648 ( -2.996 -0.502 -0.074) 3.038 4.687 ( 0.114 -1.714 0.829) 1.907 4.692 ( 2.594 -1.788 -5.612) 6.435 4.913 ( 1.351 2.882 0.100) 3.184 4.972 ( 2.317 -2.443 -1.292) 3.606 5.164 ( -3.661 2.014 6.031) 7.337 5.220 ( -1.445 -3.370 7.363) 8.226 5.302 ( 2.342 9.185 -0.766) 9.510 5.492 ( 8.394 -9.460 -2.441) 12.881 19.589 ( -0.611 -0.316 0.309) 0.754 19.594 ( -0.124 -0.704 0.192) 0.740 19.639 ( 0.037 0.871 -0.262) 0.910 19.657 ( 0.098 -0.784 -0.292) 0.842 19.816 ( -0.867 0.695 0.413) 1.186 19.829 ( -0.851 -0.582 0.395) 1.104 19.894 ( -1.062 1.262 -0.597) 1.754 19.913 ( -0.784 -0.573 -0.852) 1.292 25.074 ( -0.134 0.170 -0.016) 0.217 25.077 ( -0.080 -0.142 -0.011) 0.163 25.118 ( -0.134 0.160 0.376) 0.430 25.122 ( 0.040 -0.216 0.536) 0.579 31.242 ( -0.033 0.223 -0.062) 0.234 31.246 ( 0.069 -0.139 -0.017) 0.156 31.254 ( 0.008 0.273 -0.185) 0.330 31.259 ( 0.043 -0.231 -0.294) 0.376 41.180 ( 3.173 3.964 3.368) 6.092 41.263 ( 5.389 -3.816 3.344) 7.401 41.630 ( 2.852 4.750 -1.114) 5.652 41.716 ( 4.455 -2.834 -1.260) 5.428 42.129 ( -5.478 3.066 2.187) 6.648 42.217 ( -7.605 -5.906 2.905) 10.058 43.249 ( -1.917 13.410 -9.807) 16.724 43.509 ( 0.628 -12.238 -11.468) 16.784 ======================= Grid point 115 (68/96) ======================= q-point: (-0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -10.149 7.892 1.909) 12.997 1.027 ( -5.770 -11.079 -1.447) 12.575 1.301 ( -8.311 6.606 3.045) 11.045 1.417 ( -4.093 -4.497 4.080) 7.323 1.535 ( 0.922 2.996 -3.745) 4.884 1.602 ( 2.511 -2.458 -2.134) 4.111 1.731 ( -0.828 6.872 -0.410) 6.933 1.824 ( -4.103 -1.404 2.652) 5.083 1.906 ( 0.617 -2.256 -0.794) 2.470 1.943 ( -3.800 -2.957 -2.283) 5.329 2.186 ( -8.063 4.581 2.195) 9.529 2.220 ( -4.318 5.139 0.351) 6.721 2.268 ( -2.088 -2.609 -0.762) 3.427 2.317 ( -1.505 -2.169 0.370) 2.666 2.449 ( -2.301 1.814 0.872) 3.057 2.490 ( -4.335 -1.854 1.010) 4.821 2.557 ( -8.144 7.194 5.871) 12.351 2.639 ( 3.717 3.905 -0.007) 5.391 2.727 ( 0.101 -2.665 0.991) 2.845 2.758 ( -4.797 -5.918 2.564) 8.038 2.830 ( 2.383 2.054 -1.454) 3.466 2.866 ( 0.215 -3.782 -0.655) 3.844 2.987 ( 0.461 3.016 -2.171) 3.745 3.098 ( 2.477 -5.343 -6.311) 8.632 3.182 ( 2.071 0.237 -1.440) 2.533 3.211 ( 3.576 -2.119 -2.156) 4.683 3.410 ( -3.036 -0.179 0.554) 3.091 3.430 ( -1.501 -1.835 2.210) 3.241 3.745 ( -3.188 2.415 -0.357) 4.015 3.785 ( -3.259 -1.426 -0.565) 3.602 3.953 ( -1.825 1.802 -2.510) 3.589 4.007 ( -3.046 -2.972 -1.170) 4.414 4.103 ( -0.548 0.689 0.733) 1.145 4.125 ( -1.449 -0.624 -1.465) 2.153 4.275 ( -1.244 1.929 -0.861) 2.451 4.287 ( -0.060 0.929 -0.526) 1.069 4.392 ( 1.195 2.207 -1.179) 2.773 4.434 ( -1.251 -1.598 -0.872) 2.209 4.496 ( -1.892 6.711 -1.831) 7.209 4.593 ( -1.702 -2.167 0.011) 2.755 4.665 ( -2.983 -1.111 1.450) 3.498 4.698 ( -1.760 -3.981 -4.409) 6.196 4.906 ( -2.352 4.225 1.493) 5.061 4.969 ( -2.377 -2.092 0.567) 3.217 5.156 ( 1.449 4.496 9.417) 10.536 5.257 ( 3.802 -5.086 9.329) 11.285 5.429 ( 10.312 11.933 -3.582) 16.173 5.683 ( 11.944 -12.994 -3.659) 18.024 19.586 ( 0.277 0.356 0.291) 0.537 19.601 ( 0.883 -0.948 0.148) 1.304 19.637 ( -0.183 0.905 -0.274) 0.963 19.657 ( -0.021 -0.891 -0.222) 0.919 19.796 ( -1.322 0.511 0.322) 1.454 19.806 ( -1.503 -0.587 0.299) 1.641 19.867 ( -1.600 1.260 -0.569) 2.115 19.888 ( -1.636 -0.750 -0.812) 1.974 25.073 ( 0.063 0.137 0.147) 0.210 25.077 ( 0.003 -0.163 0.091) 0.186 25.117 ( -0.126 0.299 0.364) 0.487 25.123 ( -0.068 -0.340 0.541) 0.643 31.241 ( -0.053 0.278 -0.049) 0.287 31.247 ( 0.002 -0.204 -0.017) 0.204 31.252 ( -0.128 0.188 -0.242) 0.332 31.257 ( -0.219 -0.206 -0.415) 0.512 41.265 ( 4.795 6.009 3.232) 8.339 41.369 ( 4.654 -3.509 2.802) 6.467 41.676 ( 1.463 5.535 -0.651) 5.762 41.778 ( 0.924 -2.983 -0.444) 3.155 42.047 ( -2.470 -0.037 0.411) 2.504 42.084 ( -5.888 -3.603 1.847) 7.146 43.156 ( -4.999 13.676 -13.493) 19.852 43.430 ( -5.637 -13.324 -15.676) 21.332 ======================= Grid point 116 (69/96) ======================= q-point: (-0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -7.623 11.196 1.606) 13.640 0.926 ( -4.180 -13.818 -1.724) 14.539 1.167 ( -7.047 10.143 4.959) 13.309 1.369 ( -1.680 -7.874 4.112) 9.040 1.530 ( 0.033 5.147 -4.888) 7.098 1.631 ( 0.045 -1.492 -3.893) 4.169 1.713 ( -0.250 4.322 0.172) 4.333 1.769 ( -2.378 0.653 4.607) 5.225 1.892 ( -1.078 -0.231 -0.116) 1.109 1.921 ( 0.813 -2.570 -1.206) 2.953 2.026 ( -8.458 8.081 7.872) 14.100 2.110 ( -4.825 1.781 -0.181) 5.146 2.235 ( -0.609 -0.940 0.171) 1.133 2.271 ( -2.567 -4.301 2.986) 5.831 2.401 ( -2.624 0.596 2.323) 3.555 2.433 ( -1.701 -2.565 -0.164) 3.082 2.505 ( -0.524 2.577 3.073) 4.045 2.603 ( -6.253 -2.693 1.355) 6.942 2.729 ( 4.882 3.507 0.988) 6.092 2.776 ( -0.701 -1.252 0.894) 1.690 2.856 ( 1.299 -1.503 2.152) 2.929 2.866 ( -0.854 -2.848 -1.407) 3.289 3.030 ( 4.140 4.892 -7.558) 9.909 3.133 ( 2.968 -3.921 -9.969) 11.116 3.213 ( 1.658 1.304 -1.849) 2.805 3.269 ( 2.958 -3.439 -1.876) 4.909 3.370 ( -0.864 0.603 1.302) 1.675 3.409 ( -0.933 -2.716 2.012) 3.507 3.695 ( -1.820 1.954 -0.729) 2.768 3.731 ( -2.022 -1.531 -0.476) 2.580 3.921 ( -0.725 0.947 -1.899) 2.243 3.955 ( -1.641 -2.153 -0.300) 2.723 4.051 ( -4.413 0.369 0.141) 4.431 4.059 ( -5.563 -0.362 0.041) 5.575 4.220 ( -1.768 1.740 -2.781) 3.726 4.239 ( -3.307 -0.373 -2.430) 4.121 4.405 ( -0.492 2.587 -1.305) 2.939 4.455 ( 2.120 -2.028 -0.339) 2.953 4.512 ( 2.963 6.092 -1.341) 6.906 4.557 ( -2.598 -0.337 0.258) 2.632 4.583 ( -4.745 -0.924 -1.693) 5.122 4.661 ( 0.056 -4.986 1.382) 5.174 4.846 ( -3.760 4.629 0.734) 6.008 4.908 ( -3.785 -1.533 1.006) 4.206 5.236 ( 3.160 6.095 10.225) 12.316 5.373 ( 4.553 -7.127 11.158) 14.001 5.622 ( 9.884 12.986 -5.056) 17.085 5.888 ( 9.627 -13.521 -4.562) 17.214 19.600 ( 1.069 1.094 0.154) 1.537 19.626 ( 1.421 -0.641 0.054) 1.560 19.632 ( -0.186 0.636 -0.273) 0.717 19.656 ( 0.011 -1.065 -0.185) 1.081 19.773 ( -1.002 0.192 0.267) 1.055 19.779 ( -1.274 -0.423 0.275) 1.371 19.833 ( -1.700 0.872 -0.434) 1.960 19.850 ( -2.002 -0.754 -0.614) 2.226 25.077 ( 0.181 0.027 0.256) 0.315 25.079 ( 0.279 -0.192 0.227) 0.408 25.116 ( -0.044 0.277 0.401) 0.490 25.122 ( -0.186 -0.335 0.502) 0.631 31.240 ( -0.109 0.247 0.009) 0.271 31.246 ( -0.116 -0.255 0.027) 0.282 31.248 ( -0.165 0.073 -0.256) 0.313 31.251 ( -0.213 -0.102 -0.456) 0.514 41.368 ( 4.935 5.698 2.806) 8.043 41.445 ( 2.993 -1.008 1.587) 3.535 41.656 ( -3.016 3.853 -0.307) 4.903 41.738 ( -3.891 -3.093 -2.700) 5.656 42.009 ( -0.037 2.579 2.031) 3.283 42.088 ( 3.578 -4.426 3.209) 6.533 42.976 ( -10.728 14.488 -18.158) 25.587 43.236 ( -9.570 -11.336 -18.461) 23.683 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.523 0.000 13.469) 13.703 0.898 ( -6.581 0.000 13.014) 14.583 1.114 ( 3.064 0.000 -7.091) 7.725 1.150 ( -0.802 0.000 -13.543) 13.567 1.287 ( -6.029 0.000 5.555) 8.198 1.389 ( 4.354 0.000 -4.313) 6.128 1.702 ( -1.682 0.000 4.016) 4.354 1.774 ( 3.785 0.000 -3.309) 5.027 1.950 ( 4.072 0.000 0.597) 4.116 1.957 ( -3.773 0.000 0.326) 3.787 2.148 ( -0.420 0.000 10.967) 10.975 2.257 ( -4.283 0.000 0.372) 4.300 2.338 ( 1.134 0.000 6.265) 6.367 2.414 ( 2.766 0.000 3.449) 4.421 2.418 ( -0.260 0.000 -2.343) 2.357 2.525 ( 1.845 0.000 -6.465) 6.723 2.537 ( -1.146 0.000 4.682) 4.820 2.546 ( 1.874 0.000 4.660) 5.023 2.584 ( 0.325 0.000 1.430) 1.467 2.697 ( 0.450 0.000 -10.537) 10.546 2.749 ( -4.097 0.000 -3.483) 5.377 2.815 ( 4.750 0.000 -12.400) 13.279 2.972 ( -1.104 0.000 3.029) 3.224 3.014 ( 0.809 0.000 -2.103) 2.253 3.302 ( -0.781 0.000 0.490) 0.922 3.312 ( 0.640 0.000 -0.594) 0.873 3.453 ( 5.973 0.000 0.221) 5.977 3.465 ( -5.680 0.000 -0.870) 5.746 3.787 ( 1.746 0.000 2.767) 3.272 3.843 ( -1.923 0.000 -3.073) 3.625 3.850 ( 3.336 0.000 4.366) 5.495 3.912 ( -0.443 0.000 -1.522) 1.585 3.969 ( -4.309 0.000 1.345) 4.514 4.009 ( 0.055 0.000 -3.139) 3.140 4.138 ( 2.187 0.000 3.117) 3.808 4.191 ( -1.364 0.000 -2.146) 2.543 4.355 ( -7.519 0.000 -0.198) 7.521 4.357 ( 8.157 0.000 -0.454) 8.169 4.454 ( 7.121 0.000 1.093) 7.205 4.481 ( -6.026 0.000 -1.906) 6.320 4.634 ( -0.609 0.000 -0.056) 0.611 4.637 ( 0.490 0.000 -0.421) 0.645 4.859 ( -3.277 0.000 1.152) 3.473 4.878 ( 3.927 0.000 -0.782) 4.004 5.225 ( -1.175 0.000 2.859) 3.092 5.275 ( 2.025 0.000 -2.515) 3.229 5.900 ( 2.436 0.000 12.122) 12.365 6.114 ( -4.197 0.000 -9.973) 10.820 19.591 ( -0.221 0.000 0.108) 0.246 19.593 ( 0.274 0.000 -0.077) 0.284 19.664 ( -0.084 0.000 0.014) 0.085 19.665 ( 0.107 0.000 -0.146) 0.181 19.771 ( -0.659 0.000 0.019) 0.659 19.773 ( 0.655 0.000 -0.139) 0.669 19.821 ( 0.424 0.000 0.522) 0.673 19.829 ( -0.756 0.000 -0.372) 0.843 25.085 ( -0.006 0.000 0.297) 0.297 25.091 ( 0.004 0.000 -0.309) 0.309 25.132 ( -0.857 0.000 0.420) 0.954 25.138 ( 1.180 0.000 -0.188) 1.195 31.238 ( 0.213 0.000 0.076) 0.226 31.239 ( -0.271 0.000 -0.021) 0.272 31.250 ( -0.496 0.000 0.228) 0.546 31.256 ( 0.507 0.000 -0.326) 0.603 41.209 ( 3.514 0.000 1.872) 3.982 41.244 ( -3.803 0.000 -1.735) 4.180 41.605 ( -5.621 0.000 2.395) 6.110 41.655 ( 2.268 0.000 -2.695) 3.522 42.021 ( -1.548 0.000 1.954) 2.493 42.033 ( -1.845 0.000 0.665) 1.961 42.549 ( 6.592 0.000 15.043) 16.424 42.874 ( -7.924 0.000 -18.303) 19.944 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 2.852 0.000 9.047) 9.486 0.959 ( 1.752 0.000 10.555) 10.700 1.106 ( -0.134 0.000 -10.304) 10.305 1.257 ( 12.587 0.000 5.459) 13.720 1.325 ( 8.126 0.000 -5.411) 9.762 1.550 ( 10.124 0.000 -0.524) 10.138 1.676 ( -1.497 0.000 3.067) 3.413 1.819 ( 2.662 0.000 -6.694) 7.204 1.881 ( -3.585 0.000 -0.565) 3.629 2.032 ( 4.525 0.000 -0.169) 4.528 2.165 ( -0.946 0.000 12.278) 12.315 2.194 ( -1.979 0.000 1.619) 2.557 2.396 ( -1.379 0.000 -1.570) 2.089 2.402 ( 2.546 0.000 7.236) 7.671 2.431 ( -1.638 0.000 -2.258) 2.790 2.514 ( -2.002 0.000 3.772) 4.270 2.538 ( 0.919 0.000 -8.243) 8.294 2.595 ( 1.034 0.000 4.827) 4.936 2.598 ( 0.370 0.000 -1.042) 1.106 2.677 ( 0.499 0.000 -9.506) 9.519 2.697 ( 1.194 0.000 -2.765) 3.011 2.875 ( 4.105 0.000 -9.042) 9.930 2.976 ( 0.318 0.000 2.946) 2.963 3.062 ( 5.099 0.000 -2.530) 5.692 3.286 ( -0.663 0.000 -0.305) 0.730 3.297 ( -1.739 0.000 -0.648) 1.855 3.401 ( -0.561 0.000 -0.457) 0.724 3.583 ( 6.753 0.000 0.464) 6.769 3.805 ( -0.199 0.000 2.630) 2.638 3.812 ( 0.052 0.000 -2.980) 2.980 3.893 ( -0.925 0.000 -4.956) 5.042 3.901 ( -2.524 0.000 1.165) 2.780 3.953 ( 5.204 0.000 5.040) 7.244 4.021 ( 1.732 0.000 1.883) 2.559 4.155 ( -0.654 0.000 -2.539) 2.622 4.187 ( 2.632 0.000 3.155) 4.109 4.304 ( -3.464 0.000 -2.305) 4.160 4.355 ( -1.292 0.000 -1.738) 2.165 4.461 ( -0.695 0.000 0.654) 0.954 4.587 ( 3.184 0.000 0.248) 3.194 4.667 ( 1.947 0.000 -0.529) 2.017 4.683 ( 8.818 0.000 -1.052) 8.880 4.853 ( 3.017 0.000 -0.107) 3.019 4.948 ( 2.722 0.000 0.633) 2.795 5.175 ( -3.973 0.000 0.313) 3.986 5.258 ( -3.022 0.000 -2.267) 3.777 5.886 ( -6.890 0.000 12.060) 13.889 5.943 ( -9.351 0.000 -8.555) 12.674 19.590 ( 0.166 0.000 -0.019) 0.167 19.596 ( 0.105 0.000 0.035) 0.111 19.656 ( -0.648 0.000 0.078) 0.653 19.661 ( -0.415 0.000 -0.199) 0.460 19.768 ( 0.251 0.000 -0.039) 0.254 19.788 ( 0.733 0.000 0.223) 0.766 19.830 ( 0.924 0.000 -0.366) 0.994 19.841 ( 1.540 0.000 0.733) 1.705 25.084 ( -0.136 0.000 0.208) 0.248 25.089 ( -0.085 0.000 -0.257) 0.271 25.117 ( -0.703 0.000 0.146) 0.718 25.152 ( 0.329 0.000 -0.296) 0.443 31.234 ( -0.253 0.000 0.009) 0.253 31.240 ( -0.282 0.000 0.330) 0.434 31.244 ( 0.125 0.000 -0.025) 0.127 31.258 ( -0.263 0.000 -0.096) 0.280 41.169 ( -3.301 0.000 -1.660) 3.695 41.281 ( 3.530 0.000 1.849) 3.985 41.526 ( -3.849 0.000 3.278) 5.055 41.785 ( 13.250 0.000 -1.590) 13.345 42.069 ( 3.554 0.000 7.599) 8.389 42.159 ( 11.750 0.000 0.675) 11.770 42.663 ( -9.257 0.000 -17.579) 19.867 42.705 ( 6.518 0.000 17.083) 18.284 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 9.337 0.000 6.414) 11.328 1.036 ( 4.291 0.000 7.128) 8.320 1.103 ( 2.210 0.000 -7.425) 7.747 1.474 ( 4.127 0.000 -1.136) 4.281 1.515 ( 12.261 0.000 -4.062) 12.916 1.645 ( -0.351 0.000 0.124) 0.373 1.725 ( 9.090 0.000 5.239) 10.491 1.843 ( 0.183 0.000 -1.830) 1.839 1.900 ( 7.487 0.000 -8.116) 11.041 2.115 ( 4.212 0.000 -1.928) 4.633 2.171 ( -1.328 0.000 10.821) 10.902 2.194 ( 1.354 0.000 2.330) 2.695 2.352 ( -4.623 0.000 -3.811) 5.991 2.357 ( -2.713 0.000 0.558) 2.769 2.384 ( -4.898 0.000 4.545) 6.681 2.515 ( 0.272 0.000 -10.913) 10.916 2.547 ( 3.328 0.000 7.074) 7.818 2.596 ( -2.334 0.000 -3.702) 4.376 2.610 ( -0.001 0.000 3.124) 3.124 2.676 ( 1.994 0.000 1.024) 2.242 2.761 ( 4.105 0.000 -0.070) 4.105 2.938 ( 4.939 0.000 -9.252) 10.487 2.972 ( -1.449 0.000 -0.195) 1.462 3.167 ( 5.233 0.000 -1.714) 5.507 3.276 ( -0.134 0.000 -3.012) 3.015 3.290 ( 1.564 0.000 0.372) 1.608 3.419 ( 1.911 0.000 1.199) 2.256 3.692 ( 4.526 0.000 0.368) 4.541 3.798 ( -0.958 0.000 2.378) 2.564 3.810 ( -1.076 0.000 -0.895) 1.400 3.869 ( 0.606 0.000 -7.133) 7.158 3.885 ( 0.866 0.000 0.747) 1.143 4.071 ( 5.957 0.000 4.731) 7.607 4.072 ( 2.550 0.000 2.033) 3.262 4.183 ( 1.676 0.000 -5.079) 5.349 4.226 ( 2.484 0.000 1.269) 2.790 4.237 ( 0.693 0.000 3.497) 3.565 4.407 ( 3.609 0.000 -1.513) 3.913 4.413 ( -2.655 0.000 -0.175) 2.661 4.576 ( -2.268 0.000 1.948) 2.990 4.694 ( 0.924 0.000 -0.990) 1.354 4.822 ( 2.574 0.000 1.235) 2.855 4.927 ( 2.691 0.000 0.199) 2.699 4.939 ( -5.143 0.000 3.132) 6.022 5.130 ( 1.019 0.000 -2.705) 2.891 5.176 ( -3.518 0.000 -2.165) 4.130 5.724 ( -11.958 0.000 9.519) 15.285 5.787 ( -4.283 0.000 -10.446) 11.290 19.598 ( 0.566 0.000 0.051) 0.568 19.600 ( 0.358 0.000 0.095) 0.370 19.646 ( -0.295 0.000 0.108) 0.314 19.652 ( -0.379 0.000 -0.154) 0.409 19.777 ( 0.681 0.000 -0.100) 0.688 19.800 ( 0.560 0.000 0.700) 0.897 19.855 ( 1.557 0.000 -0.488) 1.631 19.875 ( 1.681 0.000 0.634) 1.796 25.080 ( -0.283 0.000 -0.077) 0.293 25.086 ( -0.125 0.000 -0.178) 0.218 25.110 ( -0.040 0.000 0.191) 0.195 25.151 ( -0.276 0.000 -0.060) 0.282 31.231 ( -0.038 0.000 0.047) 0.060 31.238 ( -0.005 0.000 0.328) 0.328 31.248 ( 0.208 0.000 0.036) 0.211 31.249 ( -0.567 0.000 0.265) 0.625 41.112 ( -2.259 0.000 -1.531) 2.729 41.344 ( 2.455 0.000 -0.204) 2.463 41.467 ( -3.449 0.000 5.002) 6.076 42.084 ( 14.680 0.000 -5.157) 15.559 42.140 ( 1.172 0.000 12.733) 12.786 42.271 ( -3.736 0.000 -7.657) 8.520 42.604 ( 13.078 0.000 -13.254) 18.620 42.878 ( 6.369 0.000 19.752) 20.754 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 2.071 0.000 -0.481) 2.126 1.149 ( 6.079 0.000 3.083) 6.816 1.248 ( 9.932 0.000 0.622) 9.951 1.443 ( -4.204 0.000 -1.103) 4.346 1.622 ( 0.036 0.000 -1.399) 1.400 1.724 ( 9.894 0.000 -5.804) 11.471 1.867 ( 2.399 0.000 -4.229) 4.862 1.928 ( 5.310 0.000 9.806) 11.151 1.995 ( 4.248 0.000 -7.128) 8.298 2.153 ( -0.445 0.000 -5.968) 5.984 2.175 ( -0.748 0.000 5.518) 5.569 2.247 ( 2.656 0.000 2.326) 3.530 2.274 ( -1.707 0.000 -1.010) 1.984 2.314 ( -0.797 0.000 4.046) 4.124 2.341 ( 1.373 0.000 3.100) 3.391 2.496 ( -4.682 0.000 -5.370) 7.124 2.527 ( 1.883 0.000 -8.481) 8.688 2.598 ( -0.544 0.000 -0.392) 0.670 2.639 ( 3.414 0.000 9.282) 9.890 2.712 ( -0.644 0.000 5.628) 5.665 2.788 ( -2.632 0.000 -0.164) 2.638 2.971 ( 3.405 0.000 0.287) 3.417 3.022 ( 6.015 0.000 -5.755) 8.324 3.192 ( -3.115 0.000 -0.909) 3.245 3.276 ( 1.386 0.000 -6.103) 6.258 3.327 ( 1.050 0.000 -0.549) 1.185 3.469 ( 2.610 0.000 3.383) 4.273 3.749 ( -0.191 0.000 -0.681) 0.708 3.779 ( 0.950 0.000 -0.110) 0.957 3.790 ( -0.167 0.000 1.864) 1.871 3.871 ( 1.006 0.000 -5.599) 5.689 3.933 ( 3.794 0.000 0.260) 3.803 4.124 ( 2.592 0.000 -0.653) 2.673 4.173 ( -2.816 0.000 5.560) 6.233 4.216 ( 3.402 0.000 -0.186) 3.407 4.228 ( 5.206 0.000 -4.607) 6.952 4.358 ( 7.477 0.000 2.961) 8.042 4.401 ( 0.477 0.000 2.195) 2.246 4.461 ( 2.652 0.000 -1.889) 3.256 4.532 ( -2.891 0.000 1.837) 3.425 4.688 ( -1.660 0.000 -0.977) 1.926 4.775 ( -7.231 0.000 6.501) 9.723 4.821 ( -5.550 0.000 1.454) 5.737 4.926 ( -0.998 0.000 -3.737) 3.868 5.175 ( 3.414 0.000 -1.439) 3.705 5.185 ( 4.527 0.000 -0.102) 4.529 5.520 ( -10.830 0.000 5.936) 12.350 5.695 ( -4.274 0.000 -10.058) 10.928 19.607 ( 0.314 0.000 0.270) 0.414 19.610 ( 0.551 0.000 -0.066) 0.554 19.648 ( 0.456 0.000 -0.047) 0.458 19.648 ( -0.004 0.000 0.025) 0.026 19.793 ( 1.035 0.000 -0.245) 1.063 19.812 ( 0.374 0.000 0.833) 0.913 19.880 ( 1.172 0.000 -0.421) 1.245 19.901 ( 0.804 0.000 0.414) 0.905 25.076 ( -0.076 0.000 -0.191) 0.205 25.083 ( -0.185 0.000 -0.108) 0.214 25.114 ( 0.311 0.000 0.300) 0.432 25.144 ( -0.465 0.000 0.062) 0.469 31.234 ( 0.292 0.000 0.013) 0.292 31.240 ( 0.098 0.000 0.338) 0.352 31.242 ( -0.218 0.000 0.367) 0.427 31.251 ( 0.066 0.000 0.005) 0.066 41.086 ( 0.140 0.000 -0.943) 0.953 41.329 ( -4.224 0.000 -1.907) 4.635 41.453 ( 1.235 0.000 6.533) 6.649 41.986 ( -12.861 0.000 -3.424) 13.308 42.192 ( 1.322 0.000 13.921) 13.983 42.415 ( 13.590 0.000 -17.476) 22.138 42.904 ( 18.177 0.000 -11.078) 21.287 43.005 ( 1.288 0.000 20.690) 20.730 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.692 0.000 1.972) 2.598 1.254 ( 3.038 0.000 -2.521) 3.948 1.361 ( -2.697 0.000 0.780) 2.808 1.367 ( 2.708 0.000 -1.302) 3.005 1.681 ( 5.475 0.000 -0.137) 5.476 1.795 ( -1.268 0.000 -2.273) 2.603 1.883 ( -2.594 0.000 5.151) 5.768 1.992 ( 2.112 0.000 1.873) 2.823 2.043 ( 0.822 0.000 -2.055) 2.213 2.069 ( -3.950 0.000 -7.574) 8.542 2.160 ( 0.933 0.000 6.316) 6.385 2.258 ( -0.888 0.000 0.544) 1.042 2.298 ( 2.996 0.000 -3.867) 4.892 2.372 ( -1.286 0.000 -1.607) 2.058 2.390 ( 1.085 0.000 0.133) 1.093 2.420 ( 2.782 0.000 2.890) 4.012 2.568 ( 3.189 0.000 -6.321) 7.080 2.576 ( -1.202 0.000 -0.308) 1.241 2.677 ( -3.974 0.000 0.731) 4.041 2.679 ( -2.770 0.000 1.989) 3.410 2.801 ( 9.123 0.000 3.310) 9.705 3.044 ( -6.877 0.000 -1.602) 7.061 3.073 ( 5.357 0.000 3.863) 6.605 3.161 ( 5.001 0.000 -1.431) 5.202 3.262 ( -2.017 0.000 -5.876) 6.212 3.295 ( -4.613 0.000 -1.472) 4.842 3.532 ( 2.906 0.000 5.449) 6.176 3.692 ( -3.471 0.000 -2.624) 4.352 3.803 ( 0.884 0.000 1.745) 1.956 3.848 ( 2.001 0.000 -0.596) 2.088 3.895 ( 4.794 0.000 -1.358) 4.983 4.008 ( 1.940 0.000 0.443) 1.990 4.058 ( -5.372 0.000 0.744) 5.423 4.133 ( -1.822 0.000 -2.821) 3.358 4.325 ( 4.594 0.000 -1.334) 4.784 4.332 ( 5.813 0.000 2.120) 6.188 4.395 ( -2.874 0.000 2.941) 4.113 4.455 ( 2.324 0.000 -1.445) 2.736 4.478 ( -2.887 0.000 2.932) 4.115 4.504 ( 1.891 0.000 -2.105) 2.830 4.645 ( -0.508 0.000 -0.774) 0.926 4.658 ( -4.757 0.000 3.402) 5.848 4.793 ( 1.510 0.000 1.814) 2.361 4.897 ( -1.248 0.000 -4.401) 4.574 5.262 ( 5.899 0.000 -0.926) 5.971 5.290 ( 5.666 0.000 4.065) 6.973 5.357 ( -7.369 0.000 2.391) 7.748 5.551 ( -8.674 0.000 -6.663) 10.937 19.612 ( 0.132 0.000 0.303) 0.331 19.617 ( 0.257 0.000 -0.257) 0.363 19.651 ( 0.211 0.000 0.149) 0.258 19.656 ( 0.251 0.000 -0.172) 0.304 19.814 ( 1.141 0.000 -0.498) 1.245 19.815 ( -0.297 0.000 0.698) 0.758 19.898 ( 0.895 0.000 -0.287) 0.940 19.906 ( -0.357 0.000 0.264) 0.444 25.076 ( 0.116 0.000 -0.128) 0.173 25.079 ( -0.244 0.000 -0.040) 0.247 25.122 ( 0.437 0.000 0.356) 0.563 25.135 ( -0.506 0.000 0.051) 0.508 31.241 ( 0.481 0.000 -0.145) 0.502 31.242 ( -0.037 0.000 0.235) 0.238 31.242 ( 0.112 0.000 0.304) 0.324 31.250 ( -0.118 0.000 -0.115) 0.165 41.119 ( 3.570 0.000 -0.373) 3.590 41.221 ( -5.935 0.000 -0.837) 5.993 41.524 ( 4.569 0.000 5.775) 7.364 41.759 ( -9.651 0.000 -3.513) 10.271 42.248 ( 0.585 0.000 13.619) 13.631 42.556 ( 5.851 0.000 -18.521) 19.424 43.016 ( -5.171 0.000 18.890) 19.585 43.188 ( 14.444 0.000 -13.704) 19.910 ======================= Grid point 141 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.609 0.000 2.661) 2.730 1.195 ( -6.119 0.000 -0.018) 6.120 1.384 ( 2.054 0.000 -3.621) 4.163 1.393 ( 1.645 0.000 -2.629) 3.101 1.711 ( -6.857 0.000 -3.503) 7.700 1.734 ( -2.724 0.000 3.559) 4.482 1.811 ( -4.242 0.000 14.031) 14.658 1.915 ( -6.868 0.000 -0.147) 6.869 2.032 ( 1.283 0.000 2.132) 2.488 2.113 ( 3.698 0.000 -6.628) 7.590 2.223 ( -3.604 0.000 3.526) 5.041 2.240 ( 4.641 0.000 2.477) 5.261 2.310 ( 1.016 0.000 -8.895) 8.953 2.350 ( 2.888 0.000 -0.842) 3.008 2.417 ( -2.620 0.000 1.302) 2.926 2.466 ( 2.045 0.000 -0.675) 2.153 2.513 ( -4.710 0.000 -2.045) 5.135 2.573 ( -1.427 0.000 -0.994) 1.739 2.680 ( 3.547 0.000 0.237) 3.555 2.680 ( 3.927 0.000 1.109) 4.081 2.906 ( -4.721 0.000 -7.476) 8.842 3.012 ( 10.749 0.000 1.716) 10.885 3.130 ( -10.225 0.000 4.216) 11.059 3.154 ( -6.743 0.000 -4.490) 8.101 3.169 ( 0.755 0.000 2.176) 2.303 3.267 ( 4.217 0.000 1.021) 4.339 3.601 ( 2.736 0.000 6.549) 7.098 3.616 ( -3.955 0.000 -3.134) 5.046 3.820 ( -0.281 0.000 1.899) 1.920 3.846 ( -0.271 0.000 -2.694) 2.708 3.900 ( -6.436 0.000 -1.039) 6.520 4.022 ( 4.159 0.000 0.424) 4.181 4.060 ( -1.669 0.000 -1.178) 2.042 4.091 ( 2.139 0.000 1.145) 2.426 4.299 ( -6.442 0.000 1.448) 6.603 4.343 ( -2.676 0.000 0.190) 2.683 4.424 ( 2.384 0.000 1.543) 2.839 4.448 ( -1.682 0.000 3.436) 3.825 4.488 ( 0.926 0.000 -4.890) 4.977 4.518 ( 2.421 0.000 -1.888) 3.070 4.632 ( 1.359 0.000 0.447) 1.431 4.711 ( 7.297 0.000 -1.223) 7.399 4.836 ( 1.596 0.000 1.529) 2.210 4.854 ( -1.801 0.000 -4.383) 4.738 5.239 ( -5.686 0.000 1.686) 5.931 5.329 ( -7.414 0.000 -0.895) 7.468 5.408 ( 4.530 0.000 7.643) 8.884 5.428 ( 6.799 0.000 -3.944) 7.860 19.612 ( -0.162 0.000 0.265) 0.311 19.618 ( -0.073 0.000 -0.357) 0.364 19.653 ( -0.099 0.000 0.068) 0.120 19.655 ( -0.184 0.000 -0.250) 0.310 19.805 ( -0.837 0.000 0.415) 0.934 19.830 ( 0.584 0.000 -0.799) 0.990 19.892 ( -1.043 0.000 0.322) 1.092 19.911 ( 0.405 0.000 -0.220) 0.461 25.074 ( -0.215 0.000 0.051) 0.221 25.079 ( 0.155 0.000 -0.021) 0.157 25.126 ( -0.479 0.000 -0.003) 0.479 25.131 ( 0.441 0.000 0.401) 0.596 31.239 ( -0.246 0.000 0.065) 0.254 31.245 ( 0.131 0.000 0.076) 0.151 31.248 ( -0.030 0.000 -0.252) 0.254 31.250 ( 0.379 0.000 -0.259) 0.459 41.124 ( -3.753 0.000 -0.700) 3.818 41.210 ( 5.564 0.000 0.107) 5.565 41.615 ( -4.616 0.000 -3.685) 5.907 41.658 ( 8.064 0.000 6.965) 10.656 42.256 ( -3.568 0.000 12.234) 12.743 42.563 ( 0.303 0.000 -18.507) 18.510 42.904 ( -10.895 0.000 15.532) 18.972 43.370 ( 8.573 0.000 -17.484) 19.473 ======================= Grid point 142 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -7.237 0.000 4.434) 8.487 1.193 ( -0.537 0.000 -1.848) 1.925 1.340 ( -5.762 0.000 -7.686) 9.606 1.436 ( 3.342 0.000 -0.924) 3.468 1.576 ( -13.462 0.000 8.776) 16.070 1.607 ( -1.424 0.000 -0.746) 1.608 1.793 ( -2.292 0.000 13.462) 13.656 1.836 ( -2.373 0.000 -1.179) 2.649 2.047 ( -0.302 0.000 3.485) 3.498 2.075 ( -7.878 0.000 -4.670) 9.158 2.175 ( -0.139 0.000 3.136) 3.139 2.288 ( -1.348 0.000 -1.161) 1.779 2.360 ( -2.778 0.000 2.527) 3.756 2.379 ( 6.179 0.000 -9.748) 11.542 2.405 ( 2.096 0.000 5.155) 5.564 2.443 ( -1.032 0.000 -3.629) 3.773 2.449 ( 0.544 0.000 -6.105) 6.129 2.575 ( 0.429 0.000 1.787) 1.838 2.755 ( 2.704 0.000 1.100) 2.919 2.777 ( 4.334 0.000 -0.756) 4.400 2.852 ( 1.404 0.000 -11.830) 11.913 2.868 ( -15.728 0.000 9.534) 18.393 3.000 ( -7.456 0.000 -2.616) 7.902 3.168 ( 3.317 0.000 1.789) 3.769 3.191 ( 0.351 0.000 3.192) 3.211 3.320 ( 0.981 0.000 0.033) 0.981 3.528 ( -4.446 0.000 -2.456) 5.079 3.661 ( 1.707 0.000 7.988) 8.168 3.766 ( -3.906 0.000 0.616) 3.954 3.840 ( -1.279 0.000 -0.745) 1.480 3.843 ( 0.956 0.000 -3.476) 3.605 3.947 ( -4.229 0.000 -1.442) 4.468 4.106 ( -0.281 0.000 0.964) 1.004 4.173 ( 4.896 0.000 2.310) 5.414 4.188 ( -5.001 0.000 -0.691) 5.049 4.267 ( -3.239 0.000 -2.627) 4.170 4.396 ( -5.480 0.000 -0.788) 5.536 4.420 ( -2.246 0.000 2.262) 3.188 4.460 ( -1.996 0.000 -2.959) 3.569 4.587 ( 4.229 0.000 -3.933) 5.776 4.674 ( 1.189 0.000 0.431) 1.264 4.847 ( -0.466 0.000 2.933) 2.970 4.864 ( 5.642 0.000 -3.011) 6.396 4.871 ( 7.794 0.000 -1.849) 8.010 5.144 ( -4.602 0.000 1.891) 4.975 5.165 ( -7.819 0.000 1.763) 8.015 5.490 ( 2.218 0.000 10.722) 10.949 5.631 ( 13.741 0.000 -5.544) 14.817 19.607 ( -0.409 0.000 0.202) 0.456 19.613 ( -0.408 0.000 -0.386) 0.562 19.649 ( -0.241 0.000 -0.119) 0.269 19.651 ( -0.139 0.000 -0.210) 0.252 19.789 ( -0.845 0.000 0.202) 0.869 19.829 ( -0.386 0.000 -0.934) 1.011 19.872 ( -1.262 0.000 0.464) 1.344 19.909 ( -0.586 0.000 -0.357) 0.686 25.072 ( 0.016 0.000 0.177) 0.178 25.081 ( 0.101 0.000 0.085) 0.132 25.117 ( -0.378 0.000 -0.041) 0.380 25.140 ( 0.329 0.000 0.465) 0.569 31.234 ( -0.192 0.000 -0.084) 0.209 31.246 ( 0.040 0.000 -0.119) 0.126 31.248 ( 0.182 0.000 -0.269) 0.325 31.253 ( -0.012 0.000 -0.368) 0.369 41.082 ( -0.550 0.000 -0.414) 0.688 41.303 ( 3.360 0.000 0.817) 3.458 41.564 ( 0.097 0.000 -4.988) 4.989 41.855 ( 10.111 0.000 10.335) 14.459 42.165 ( -8.272 0.000 8.048) 11.541 42.506 ( -1.149 0.000 -18.189) 18.225 42.688 ( -15.058 0.000 11.526) 18.962 43.416 ( 0.871 0.000 -21.586) 21.603 ======================= Grid point 143 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -7.233 0.000 7.946) 10.745 1.165 ( -1.659 0.000 -6.037) 6.261 1.195 ( -5.570 0.000 -9.325) 10.862 1.324 ( -13.868 0.000 9.788) 16.975 1.502 ( 2.265 0.000 0.130) 2.269 1.633 ( 2.456 0.000 1.247) 2.755 1.741 ( -7.433 0.000 8.951) 11.635 1.778 ( -5.343 0.000 -1.348) 5.511 1.891 ( -5.674 0.000 -5.612) 7.980 2.040 ( -1.415 0.000 4.330) 4.555 2.211 ( -5.060 0.000 1.434) 5.259 2.219 ( 3.283 0.000 5.163) 6.118 2.320 ( -2.336 0.000 7.097) 7.472 2.401 ( -1.861 0.000 -1.608) 2.460 2.408 ( 1.482 0.000 -9.056) 9.177 2.487 ( 2.702 0.000 6.141) 6.709 2.543 ( 7.926 0.000 -8.913) 11.928 2.567 ( -1.561 0.000 1.416) 2.107 2.604 ( -10.560 0.000 8.923) 13.825 2.753 ( -3.251 0.000 -3.324) 4.650 2.807 ( -2.949 0.000 -10.285) 10.699 2.853 ( 1.240 0.000 -0.724) 1.436 2.962 ( 3.306 0.000 -0.620) 3.363 3.111 ( -6.039 0.000 3.897) 7.187 3.244 ( 2.391 0.000 1.002) 2.592 3.310 ( -1.180 0.000 -1.236) 1.709 3.444 ( -3.691 0.000 -1.245) 3.896 3.674 ( -3.626 0.000 3.995) 5.395 3.732 ( 0.385 0.000 5.141) 5.155 3.809 ( -1.470 0.000 -0.394) 1.522 3.863 ( 1.588 0.000 -4.324) 4.606 3.894 ( -0.703 0.000 -0.446) 0.833 4.092 ( -2.520 0.000 2.306) 3.416 4.131 ( -5.198 0.000 -1.618) 5.443 4.141 ( 1.643 0.000 -3.644) 3.997 4.255 ( -6.834 0.000 -1.057) 6.916 4.302 ( 1.752 0.000 -2.733) 3.247 4.376 ( -2.847 0.000 1.502) 3.219 4.421 ( 0.232 0.000 -1.020) 1.046 4.639 ( 2.182 0.000 -4.427) 4.935 4.675 ( -0.731 0.000 0.858) 1.127 4.800 ( -5.807 0.000 2.457) 6.306 4.921 ( -3.632 0.000 1.390) 3.889 5.009 ( 4.927 0.000 -4.188) 6.466 5.056 ( -0.922 0.000 4.746) 4.835 5.127 ( 2.959 0.000 3.204) 4.361 5.583 ( 6.043 0.000 10.405) 12.032 5.892 ( 14.697 0.000 -7.950) 16.710 19.600 ( -0.342 0.000 0.125) 0.364 19.600 ( -0.753 0.000 -0.238) 0.790 19.649 ( 0.372 0.000 -0.264) 0.456 19.652 ( 0.264 0.000 -0.057) 0.270 19.775 ( -0.596 0.000 0.093) 0.603 19.814 ( -0.863 0.000 -0.739) 1.136 19.846 ( -1.544 0.000 0.470) 1.614 19.887 ( -1.494 0.000 -0.576) 1.601 25.077 ( 0.472 0.000 0.222) 0.521 25.083 ( 0.039 0.000 0.181) 0.185 25.112 ( -0.125 0.000 0.002) 0.125 25.145 ( 0.058 0.000 0.558) 0.561 31.233 ( 0.025 0.000 -0.108) 0.111 31.246 ( 0.008 0.000 -0.390) 0.390 31.249 ( -0.264 0.000 -0.174) 0.316 31.253 ( 0.267 0.000 -0.104) 0.287 41.096 ( 1.829 0.000 0.206) 1.840 41.328 ( -0.576 0.000 0.744) 0.941 41.581 ( 2.642 0.000 -6.058) 6.609 41.935 ( -10.317 0.000 10.834) 14.961 42.136 ( 9.572 0.000 5.116) 10.853 42.411 ( -15.827 0.000 7.760) 17.627 42.428 ( -3.676 0.000 -17.230) 17.618 43.294 ( -7.592 0.000 -23.491) 24.688 ======================= Grid point 144 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -3.299 0.000 10.208) 10.728 1.045 ( -10.872 0.000 10.068) 14.818 1.114 ( -0.740 0.000 -9.367) 9.396 1.184 ( -1.312 0.000 -6.836) 6.961 1.447 ( -6.390 0.000 -7.584) 9.917 1.505 ( -15.300 0.000 5.473) 16.249 1.700 ( 0.966 0.000 5.073) 5.164 1.713 ( 1.820 0.000 -0.775) 1.978 1.881 ( 2.880 0.000 -1.243) 3.137 2.012 ( -2.427 0.000 1.961) 3.120 2.148 ( -2.542 0.000 8.281) 8.662 2.293 ( 1.541 0.000 4.444) 4.704 2.329 ( 0.584 0.000 7.889) 7.911 2.356 ( -1.170 0.000 3.927) 4.098 2.411 ( 1.133 0.000 -6.871) 6.964 2.522 ( -1.074 0.000 4.575) 4.700 2.530 ( -1.331 0.000 -2.228) 2.595 2.534 ( 0.499 0.000 6.013) 6.034 2.626 ( -3.629 0.000 -3.616) 5.123 2.669 ( 3.741 0.000 -5.573) 6.712 2.782 ( 1.922 0.000 -13.659) 13.793 2.827 ( -3.037 0.000 -2.406) 3.874 3.008 ( 1.158 0.000 -1.345) 1.775 3.014 ( -4.289 0.000 2.982) 5.224 3.287 ( 1.933 0.000 -0.010) 1.933 3.301 ( 0.634 0.000 -0.611) 0.880 3.397 ( -0.453 0.000 -0.273) 0.529 3.582 ( -6.034 0.000 0.796) 6.086 3.747 ( 0.390 0.000 4.604) 4.621 3.808 ( 0.911 0.000 2.696) 2.846 3.867 ( 0.192 0.000 -3.624) 3.629 3.911 ( 1.233 0.000 -0.303) 1.269 4.040 ( -3.096 0.000 -3.733) 4.850 4.055 ( -3.529 0.000 -0.987) 3.665 4.097 ( -1.382 0.000 2.704) 3.037 4.249 ( -4.035 0.000 -2.988) 5.021 4.275 ( 4.786 0.000 0.826) 4.857 4.340 ( 1.000 0.000 -0.069) 1.002 4.471 ( 1.814 0.000 -0.547) 1.895 4.589 ( -9.367 0.000 0.514) 9.381 4.656 ( -1.354 0.000 0.517) 1.450 4.680 ( -3.554 0.000 -1.152) 3.736 4.845 ( -1.846 0.000 0.666) 1.963 4.939 ( -5.054 0.000 1.789) 5.361 5.192 ( 7.135 0.000 -1.830) 7.366 5.201 ( 2.685 0.000 3.810) 4.661 5.758 ( 8.527 0.000 10.404) 13.452 6.100 ( 8.170 0.000 -10.171) 13.046 19.590 ( -0.140 0.000 -0.070) 0.157 19.595 ( -0.227 0.000 0.133) 0.263 19.659 ( 0.555 0.000 -0.203) 0.591 19.659 ( 0.445 0.000 0.019) 0.445 19.768 ( -0.135 0.000 -0.010) 0.136 19.792 ( -1.332 0.000 -0.268) 1.359 19.823 ( -0.768 0.000 0.360) 0.848 19.855 ( -1.640 0.000 -0.624) 1.755 25.084 ( 0.012 0.000 0.260) 0.260 25.088 ( 0.434 0.000 -0.142) 0.456 25.117 ( 0.760 0.000 0.167) 0.778 25.143 ( -0.414 0.000 0.600) 0.729 31.234 ( 0.180 0.000 -0.038) 0.184 31.244 ( -0.217 0.000 -0.014) 0.218 31.247 ( 0.310 0.000 -0.396) 0.503 31.255 ( -0.062 0.000 0.167) 0.178 41.144 ( 2.943 0.000 0.968) 3.099 41.301 ( -2.066 0.000 -0.496) 2.124 41.622 ( 2.978 0.000 -6.160) 6.842 41.741 ( -9.780 0.000 3.434) 10.366 42.143 ( -11.080 0.000 2.381) 11.333 42.234 ( -13.168 0.000 -10.347) 16.747 42.366 ( 9.129 0.000 12.687) 15.630 43.070 ( -8.827 0.000 -20.666) 22.472 ======================= Grid point 145 (79/96) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -1.077 -8.813 14.065) 16.633 0.971 ( 0.339 -8.260 -9.683) 12.732 1.021 ( -4.106 5.897 7.945) 10.713 1.224 ( 2.761 6.151 -10.537) 12.509 1.469 ( -4.477 11.102 5.925) 13.357 1.516 ( 4.720 9.717 -0.480) 10.813 1.721 ( -4.873 1.338 0.050) 5.054 1.726 ( 4.647 -4.988 -0.500) 6.835 1.915 ( -0.000 -2.090 0.383) 2.124 1.928 ( 1.663 -1.271 -0.352) 2.123 2.134 ( -1.689 -1.130 11.066) 11.252 2.226 ( 1.061 -2.324 5.210) 5.803 2.280 ( 1.993 -6.316 -2.314) 7.016 2.336 ( -3.755 -2.825 -3.414) 5.809 2.440 ( -0.460 0.569 5.000) 5.053 2.480 ( 2.529 -0.088 5.782) 6.311 2.526 ( -0.567 -1.018 -0.133) 1.173 2.581 ( -0.264 -1.166 -2.139) 2.451 2.664 ( 1.299 5.343 -1.360) 5.664 2.749 ( 1.295 3.189 -8.916) 9.558 2.788 ( -2.872 3.790 -2.182) 5.232 2.820 ( 3.218 0.577 -6.631) 7.394 2.936 ( -1.423 -2.598 3.204) 4.363 3.006 ( 1.428 -0.786 -4.352) 4.647 3.264 ( -0.260 -2.591 1.353) 2.935 3.301 ( 0.527 -1.704 -2.394) 2.985 3.445 ( 4.897 -0.946 0.852) 5.060 3.460 ( -4.363 -0.984 -0.440) 4.494 3.763 ( 2.339 -3.676 2.329) 4.940 3.769 ( 1.698 -1.781 1.889) 3.102 3.878 ( 1.283 -0.079 -0.793) 1.511 3.903 ( -4.949 -0.573 -2.390) 5.525 3.980 ( -1.832 1.367 2.691) 3.530 4.038 ( -0.375 1.363 -3.181) 3.481 4.105 ( 1.825 -1.506 1.967) 3.077 4.149 ( -1.359 -2.095 -2.302) 3.396 4.373 ( 4.340 0.837 0.091) 4.421 4.383 ( -4.836 1.193 -0.986) 5.077 4.534 ( 7.551 6.064 0.709) 9.711 4.547 ( -5.305 3.655 -0.675) 6.478 4.587 ( -1.044 -3.443 0.246) 3.606 4.602 ( 0.338 -1.005 -1.008) 1.463 4.846 ( 2.887 -2.034 1.065) 3.688 4.858 ( -2.983 -0.370 -0.115) 3.008 5.296 ( -1.788 6.623 5.268) 8.649 5.393 ( 3.019 9.944 -4.818) 11.455 5.833 ( 1.508 -6.335 11.824) 13.499 6.038 ( -2.279 -7.081 -9.373) 11.966 19.598 ( -0.010 0.670 0.071) 0.674 19.600 ( 0.043 0.745 -0.071) 0.749 19.661 ( 0.006 -0.347 -0.022) 0.348 19.662 ( -0.069 -0.358 -0.108) 0.380 19.769 ( -0.443 -0.107 0.126) 0.472 19.772 ( 0.530 -0.031 -0.158) 0.554 19.816 ( 0.320 -0.384 0.439) 0.665 19.824 ( -0.673 -0.472 -0.383) 0.907 25.084 ( 0.013 -0.030 0.264) 0.266 25.089 ( 0.015 -0.132 -0.238) 0.272 25.129 ( -0.588 -0.237 0.356) 0.727 25.133 ( 0.792 -0.396 -0.001) 0.885 31.236 ( -0.052 -0.094 0.109) 0.154 31.239 ( -0.051 -0.076 -0.192) 0.212 31.249 ( -0.381 -0.146 0.222) 0.464 31.253 ( 0.336 -0.275 -0.198) 0.477 41.319 ( -3.630 7.192 1.000) 8.118 41.355 ( 5.600 10.271 -2.849) 12.041 41.604 ( -4.460 -0.075 2.235) 4.989 41.650 ( 1.732 -0.475 -2.421) 3.014 42.061 ( 6.673 4.128 2.947) 8.382 42.109 ( -10.827 7.832 -2.361) 13.570 42.513 ( 6.534 -3.385 14.013) 15.828 42.824 ( -8.137 -5.083 -17.940) 20.344 ======================= Grid point 146 (80/96) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 3.100 -7.333 11.359) 13.871 0.975 ( 1.956 -8.054 -8.413) 11.810 1.081 ( 7.335 6.736 7.314) 12.356 1.322 ( 8.500 4.689 -5.418) 11.118 1.472 ( 3.794 10.785 1.591) 11.543 1.629 ( 1.084 -2.601 0.072) 2.818 1.658 ( 3.331 5.484 -0.304) 6.424 1.794 ( 2.369 0.383 0.149) 2.405 1.919 ( 1.708 1.864 -2.364) 3.461 1.985 ( 4.324 -2.859 -1.219) 5.325 2.134 ( -1.005 -1.719 8.728) 8.953 2.229 ( -1.810 1.536 5.086) 5.613 2.267 ( -1.970 -5.567 -3.325) 6.776 2.336 ( 3.126 -6.461 1.227) 7.282 2.447 ( -0.327 -0.841 2.375) 2.541 2.505 ( -1.814 -0.766 2.642) 3.295 2.531 ( 0.312 -1.420 -0.819) 1.669 2.585 ( 1.683 -1.886 -1.886) 3.154 2.649 ( -2.301 6.561 -0.017) 6.953 2.728 ( 0.827 1.877 -4.429) 4.881 2.788 ( 1.922 7.413 -6.502) 10.046 2.857 ( 2.769 -1.904 -4.612) 5.707 2.941 ( 0.738 -2.750 3.195) 4.279 3.059 ( 5.258 -0.277 -4.187) 6.727 3.241 ( -2.033 -2.778 0.594) 3.493 3.292 ( -0.480 -1.334 -2.895) 3.223 3.410 ( -0.288 0.599 -0.159) 0.683 3.562 ( 6.150 -2.375 0.494) 6.612 3.759 ( -0.139 -2.253 -0.992) 2.465 3.810 ( 0.052 -3.132 -2.708) 4.140 3.842 ( -0.848 0.787 -0.391) 1.221 3.958 ( -1.054 1.811 2.494) 3.258 3.968 ( 6.702 -0.736 5.050) 8.424 4.018 ( 0.254 0.378 0.240) 0.514 4.116 ( 0.379 0.150 -1.445) 1.502 4.182 ( 2.786 -2.241 -0.235) 3.583 4.340 ( 1.435 1.412 -0.305) 2.036 4.397 ( -7.659 5.715 -1.912) 9.745 4.477 ( 2.141 1.127 1.093) 2.655 4.534 ( -0.635 -4.152 0.335) 4.214 4.652 ( 4.949 -1.697 -1.640) 5.483 4.733 ( 7.098 3.237 0.692) 7.832 4.814 ( 0.262 -2.803 -0.557) 2.870 4.908 ( 2.013 -2.243 1.838) 3.530 5.240 ( -4.587 6.357 2.666) 8.280 5.389 ( -1.929 10.329 -4.865) 11.579 5.807 ( -6.757 -7.342 10.410) 14.420 5.910 ( -7.569 -3.594 -8.313) 11.803 19.592 ( -0.222 0.348 -0.041) 0.414 19.604 ( 0.154 0.698 0.072) 0.719 19.647 ( -0.973 -0.714 -0.051) 1.208 19.662 ( -0.267 -0.217 0.038) 0.346 19.770 ( 0.414 0.208 0.041) 0.465 19.787 ( 0.798 -0.060 0.118) 0.809 19.828 ( 1.179 -0.139 -0.360) 1.241 19.837 ( 1.605 -0.416 0.639) 1.777 25.084 ( -0.143 -0.050 0.153) 0.215 25.087 ( -0.134 -0.145 -0.219) 0.295 25.118 ( -0.491 0.130 0.143) 0.527 25.145 ( 0.330 -0.627 -0.086) 0.714 31.234 ( -0.136 -0.007 0.095) 0.166 31.239 ( -0.116 -0.099 0.126) 0.198 31.242 ( -0.141 -0.136 0.089) 0.215 31.256 ( -0.102 -0.269 -0.003) 0.288 41.226 ( -4.793 5.793 0.818) 7.563 41.426 ( 1.367 8.418 -3.786) 9.330 41.557 ( -2.649 4.802 3.266) 6.383 41.775 ( 13.181 -0.949 -1.840) 13.342 42.019 ( 0.137 -0.341 2.410) 2.438 42.271 ( 12.944 7.752 5.088) 15.923 42.606 ( -8.594 -5.496 -13.972) 17.300 42.680 ( 6.489 -2.764 13.080) 14.860 ======================= Grid point 147 (81/96) ======================= q-point: ( 0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 8.554 -5.255 8.293) 13.022 1.032 ( 5.962 -5.406 -6.986) 10.657 1.217 ( 5.006 8.733 3.210) 10.565 1.459 ( 4.441 -0.301 -0.587) 4.490 1.603 ( -0.541 -0.881 -0.649) 1.221 1.605 ( 9.266 5.456 -3.576) 11.332 1.734 ( 1.809 -5.720 -1.965) 6.313 1.868 ( 6.345 10.047 2.696) 12.184 1.983 ( 5.316 4.043 -5.510) 8.658 2.078 ( 5.453 -3.555 -0.739) 6.551 2.139 ( 0.303 -2.318 3.629) 4.316 2.207 ( -2.793 0.926 8.934) 9.407 2.226 ( -0.943 -4.831 -3.099) 5.817 2.372 ( -0.613 -2.201 1.498) 2.732 2.393 ( -3.836 -1.623 -3.642) 5.533 2.492 ( -1.970 -2.543 1.265) 3.456 2.531 ( 1.841 -1.232 2.949) 3.689 2.605 ( -1.233 5.819 -1.864) 6.234 2.628 ( 2.354 -1.438 2.251) 3.561 2.774 ( 1.257 3.316 0.011) 3.546 2.776 ( 0.253 4.750 -1.256) 4.920 2.925 ( 5.003 -1.628 -6.244) 8.165 2.962 ( 0.944 -0.870 -1.863) 2.262 3.148 ( 3.234 -0.889 -1.184) 3.557 3.219 ( 1.018 -4.149 -1.370) 4.486 3.286 ( 0.917 -1.243 -3.231) 3.581 3.428 ( 1.594 0.679 0.868) 1.937 3.663 ( 4.263 -3.561 0.154) 5.557 3.761 ( 0.607 -1.950 -3.008) 3.636 3.798 ( -0.548 -0.924 -0.849) 1.369 3.827 ( -0.802 -0.225 0.429) 0.937 3.966 ( 1.299 2.694 1.221) 3.231 4.068 ( 4.554 -0.333 2.370) 5.144 4.115 ( 6.114 -1.337 6.178) 8.794 4.138 ( 1.921 2.438 -2.025) 3.706 4.194 ( -0.884 -0.662 -2.176) 2.440 4.317 ( 0.550 3.243 0.327) 3.306 4.391 ( 2.814 1.286 0.024) 3.094 4.444 ( -2.509 0.740 -0.919) 2.773 4.560 ( 0.856 -0.542 2.307) 2.520 4.684 ( -0.393 -1.778 -1.418) 2.308 4.824 ( 1.388 0.340 1.783) 2.285 4.859 ( 2.468 -5.310 0.357) 5.867 4.909 ( -2.919 -1.600 2.552) 4.194 5.176 ( -1.290 5.671 -0.394) 5.830 5.319 ( -3.487 9.973 -4.057) 11.317 5.661 ( -10.434 -6.031 8.100) 14.520 5.764 ( -4.642 -2.539 -10.140) 11.437 19.593 ( 0.351 -0.102 0.011) 0.366 19.608 ( 0.307 0.553 0.118) 0.643 19.631 ( -0.482 -0.956 -0.203) 1.089 19.656 ( -0.361 -0.168 0.225) 0.458 19.782 ( 0.822 0.485 0.103) 0.960 19.802 ( 0.731 0.123 0.549) 0.922 19.857 ( 1.650 0.164 -0.423) 1.711 19.872 ( 1.778 -0.307 0.445) 1.859 25.080 ( -0.247 -0.029 -0.094) 0.266 25.084 ( -0.110 -0.172 -0.140) 0.248 25.114 ( -0.024 0.326 0.175) 0.371 25.146 ( -0.176 -0.513 0.026) 0.543 31.232 ( -0.032 0.085 0.086) 0.125 31.237 ( 0.013 -0.038 0.310) 0.313 31.242 ( -0.033 -0.210 0.173) 0.274 31.252 ( -0.137 0.002 0.141) 0.196 41.152 ( -3.259 4.257 0.855) 5.429 41.413 ( -2.063 2.129 -2.385) 3.805 41.512 ( -2.251 7.030 3.828) 8.315 42.012 ( 0.945 -8.525 4.996) 9.927 42.092 ( 13.376 1.377 -5.544) 14.544 42.345 ( -6.766 2.197 -5.202) 8.813 42.618 ( 16.361 2.370 -6.496) 17.762 42.865 ( 7.670 -1.509 17.400) 19.075 ======================= Grid point 148 (82/96) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 7.625 -2.326 3.397) 8.666 1.151 ( 7.274 -2.553 -3.690) 8.546 1.304 ( 3.875 5.308 1.915) 6.845 1.466 ( -2.465 2.477 -1.193) 3.693 1.598 ( 1.163 -1.456 -2.269) 2.936 1.727 ( 1.441 -4.809 -1.810) 5.336 1.805 ( 8.761 0.193 -5.418) 10.303 1.976 ( 1.598 4.402 7.566) 8.898 2.050 ( 2.514 2.072 -3.879) 5.066 2.121 ( -1.143 -3.147 -2.668) 4.281 2.153 ( -2.239 -1.869 2.404) 3.780 2.230 ( 3.884 -2.972 -0.296) 4.900 2.245 ( 5.076 1.691 -0.699) 5.396 2.314 ( -1.413 1.410 0.718) 2.122 2.360 ( -0.909 -0.801 2.357) 2.650 2.448 ( -1.649 -2.015 -3.380) 4.266 2.579 ( -0.845 4.116 -2.237) 4.760 2.599 ( 2.895 -2.179 6.189) 7.172 2.664 ( 0.834 1.775 -1.022) 2.211 2.749 ( -1.206 3.352 4.759) 5.945 2.792 ( -2.168 0.905 0.374) 2.379 2.972 ( 3.112 -0.381 -0.271) 3.147 3.021 ( 5.292 -0.015 -5.098) 7.348 3.153 ( -1.923 -2.898 -0.582) 3.527 3.257 ( 1.877 -2.242 -3.619) 4.653 3.305 ( 1.040 -1.523 -2.759) 3.319 3.465 ( 1.846 -0.131 2.306) 2.957 3.700 ( -0.933 -4.801 -3.247) 5.871 3.774 ( 2.022 -0.128 0.378) 2.061 3.808 ( 1.310 1.622 2.913) 3.582 3.820 ( 0.746 -2.308 -0.890) 2.584 3.991 ( 1.188 2.713 -0.713) 3.047 4.132 ( -0.164 0.807 0.008) 0.824 4.164 ( 1.308 -2.185 -1.676) 3.049 4.191 ( 3.317 0.161 3.441) 4.782 4.255 ( 4.262 -0.984 2.403) 4.990 4.343 ( 1.859 2.045 -2.095) 3.468 4.422 ( 1.667 1.329 1.689) 2.720 4.458 ( 3.152 0.843 0.362) 3.283 4.569 ( 0.123 1.747 0.804) 1.927 4.662 ( -1.492 -1.731 -0.959) 2.478 4.775 ( -5.986 -0.508 4.917) 7.763 4.833 ( -4.064 0.961 2.060) 4.656 4.889 ( 0.715 -3.205 -3.063) 4.490 5.197 ( 2.961 2.918 -0.368) 4.173 5.274 ( -0.040 6.935 -1.568) 7.110 5.483 ( -9.147 -3.356 4.764) 10.846 5.667 ( -4.292 -2.837 -9.630) 10.918 19.603 ( 0.528 -0.175 0.022) 0.557 19.614 ( 0.234 0.284 0.180) 0.410 19.631 ( 0.533 -1.005 -0.460) 1.227 19.651 ( -0.246 -0.334 0.406) 0.580 19.800 ( 1.058 0.654 0.075) 1.246 19.816 ( 0.539 0.361 0.691) 0.948 19.883 ( 1.138 0.255 -0.277) 1.198 19.900 ( 0.970 -0.154 0.096) 0.987 25.076 ( -0.054 0.030 -0.171) 0.182 25.082 ( -0.124 -0.108 -0.087) 0.186 25.116 ( 0.220 0.242 0.260) 0.417 25.140 ( -0.372 -0.340 0.090) 0.512 31.234 ( 0.246 0.051 0.055) 0.258 31.239 ( 0.038 -0.082 0.332) 0.344 31.242 ( 0.052 0.077 0.267) 0.283 31.252 ( 0.014 0.055 0.065) 0.087 41.113 ( -0.825 2.830 0.819) 3.059 41.335 ( -5.407 -0.412 -0.420) 5.439 41.502 ( 0.194 4.880 2.947) 5.704 41.906 ( -9.784 -6.518 -0.834) 11.786 42.228 ( 1.038 2.483 7.462) 7.932 42.385 ( 10.780 -2.626 -13.338) 17.350 42.929 ( 16.773 2.323 -7.301) 18.440 43.018 ( 3.686 0.869 16.170) 16.607 ======================= Grid point 149 (83/96) ======================= q-point: ( 0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 3.592 1.512 0.439) 3.922 1.253 ( 2.493 -0.028 -1.539) 2.930 1.359 ( 1.491 0.211 0.531) 1.597 1.406 ( -1.794 3.363 -0.681) 3.871 1.645 ( 3.579 -2.616 -2.345) 5.016 1.718 ( -2.169 -6.172 -1.246) 6.659 1.914 ( 1.634 1.674 1.104) 2.587 1.997 ( 0.389 0.902 6.433) 6.508 2.032 ( -3.916 -1.691 2.861) 5.136 2.100 ( -2.104 -2.846 -0.896) 3.651 2.131 ( 2.821 3.411 -4.256) 6.140 2.220 ( -0.081 -3.066 -6.337) 7.040 2.317 ( 0.229 0.946 0.978) 1.380 2.325 ( 0.855 -1.923 0.364) 2.136 2.414 ( 3.199 1.364 3.134) 4.682 2.454 ( 3.075 1.472 -2.021) 3.963 2.542 ( -0.760 1.503 -2.562) 3.066 2.614 ( -3.455 1.078 -1.545) 3.935 2.674 ( 0.098 -1.012 2.837) 3.014 2.733 ( -1.797 2.482 -2.767) 4.128 2.818 ( 8.097 2.975 4.175) 9.584 3.024 ( -3.571 -1.204 -0.751) 3.843 3.079 ( 2.406 -0.108 3.666) 4.386 3.132 ( 3.566 -2.443 -1.936) 4.736 3.244 ( -2.725 -1.871 -2.393) 4.081 3.286 ( -2.507 -0.252 -4.020) 4.744 3.510 ( 2.086 -1.662 4.361) 5.112 3.648 ( -2.911 -3.777 -3.280) 5.788 3.802 ( 0.890 -0.348 1.653) 1.910 3.829 ( 0.910 -2.072 -0.154) 2.268 3.901 ( 6.210 1.600 1.721) 6.639 4.018 ( 0.781 0.414 -0.577) 1.055 4.075 ( -4.407 1.120 0.191) 4.551 4.132 ( -2.762 0.520 -2.870) 4.017 4.277 ( 4.268 -4.379 1.730) 6.355 4.307 ( -0.386 -3.344 4.046) 5.263 4.400 ( 4.387 1.020 -3.406) 5.647 4.424 ( -1.815 2.997 1.318) 3.743 4.535 ( 4.022 2.328 -0.901) 4.734 4.573 ( -1.007 3.684 0.471) 3.848 4.639 ( 0.893 -0.216 -0.828) 1.236 4.673 ( -4.850 0.548 2.661) 5.559 4.805 ( 0.781 1.106 1.485) 2.010 4.882 ( -0.471 -1.452 -3.572) 3.885 5.272 ( 4.741 0.659 0.543) 4.818 5.303 ( 1.943 1.302 3.864) 4.517 5.354 ( -4.598 0.164 0.485) 4.627 5.531 ( -8.011 -2.004 -6.282) 10.376 19.611 ( 0.382 0.016 -0.001) 0.382 19.616 ( -0.061 -0.069 0.023) 0.095 19.643 ( 0.509 -0.720 -0.133) 0.891 19.647 ( -0.102 -0.767 0.122) 0.783 19.820 ( 0.662 0.588 0.216) 0.912 19.824 ( 0.264 0.664 0.215) 0.747 19.899 ( 0.542 0.102 0.040) 0.553 19.908 ( 0.049 0.122 -0.291) 0.319 25.077 ( 0.101 0.038 -0.105) 0.150 25.079 ( -0.187 -0.004 -0.042) 0.192 25.122 ( 0.338 0.058 0.316) 0.466 25.133 ( -0.420 -0.179 0.072) 0.462 31.240 ( 0.156 -0.046 0.126) 0.205 31.241 ( 0.250 -0.029 -0.010) 0.252 31.245 ( 0.136 0.192 0.253) 0.345 31.251 ( -0.069 0.096 -0.103) 0.157 41.131 ( 2.584 1.310 0.987) 3.061 41.228 ( -5.278 0.342 -0.352) 5.301 41.538 ( 3.007 1.363 3.782) 5.021 41.723 ( -7.935 -3.242 -2.962) 9.069 42.270 ( 0.445 2.047 10.544) 10.750 42.498 ( 3.907 -4.757 -11.904) 13.402 43.067 ( -2.020 4.138 12.287) 13.122 43.192 ( 12.817 0.260 -11.212) 17.031 ======================= Grid point 151 (84/96) ======================= q-point: (-0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -5.618 0.332 -0.238) 5.633 1.215 ( -1.785 1.346 1.994) 2.996 1.377 ( 1.046 0.325 -1.799) 2.106 1.438 ( 3.392 2.726 -3.659) 5.686 1.623 ( -6.677 -4.503 -0.202) 8.056 1.684 ( 0.320 -3.943 3.628) 5.368 1.893 ( -8.966 1.418 2.612) 9.446 1.920 ( -1.720 3.693 6.562) 7.724 2.038 ( 0.793 0.435 1.956) 2.155 2.085 ( -0.299 -7.791 3.192) 8.425 2.177 ( 1.518 3.314 -6.541) 7.488 2.236 ( 4.018 -2.317 -4.714) 6.613 2.311 ( 0.336 -0.339 1.450) 1.527 2.344 ( 0.922 -0.993 -1.508) 2.027 2.412 ( -3.825 1.355 -0.746) 4.126 2.501 ( 4.247 2.388 0.533) 4.901 2.511 ( -5.416 0.442 -3.412) 6.416 2.602 ( 3.323 1.613 -0.281) 3.705 2.685 ( 1.397 1.626 1.597) 2.674 2.736 ( 2.457 2.155 -2.331) 4.014 2.899 ( -5.219 0.358 -5.155) 7.344 2.991 ( 6.802 -1.620 2.420) 7.399 3.106 ( -7.430 -2.748 0.415) 7.932 3.150 ( 0.410 -1.401 1.862) 2.366 3.175 ( -4.501 1.094 -0.145) 4.634 3.243 ( 2.310 -1.094 0.548) 2.614 3.560 ( 1.772 -3.286 5.588) 6.720 3.581 ( -3.437 -2.973 -2.795) 5.336 3.819 ( 0.180 -0.244 0.983) 1.029 3.833 ( -0.413 -0.988 -1.363) 1.733 3.939 ( -4.685 2.964 -2.319) 6.010 4.021 ( 2.551 0.106 0.216) 2.562 4.069 ( 0.298 0.841 -0.094) 0.898 4.086 ( 1.820 0.150 1.156) 2.161 4.268 ( -3.347 -3.323 2.758) 5.464 4.339 ( 0.855 -4.516 1.846) 4.953 4.373 ( -3.098 2.484 -1.908) 4.405 4.473 ( 2.864 2.351 -2.043) 4.231 4.521 ( -2.595 2.726 -1.066) 3.911 4.577 ( -0.286 2.145 0.344) 2.191 4.638 ( 1.387 1.093 -0.803) 1.940 4.712 ( 5.706 -0.765 -0.611) 5.790 4.835 ( 1.141 0.111 0.529) 1.263 4.862 ( 0.192 0.567 -3.865) 3.911 5.253 ( -4.379 1.386 2.196) 5.091 5.333 ( -6.102 0.470 -0.384) 6.132 5.391 ( 3.883 -1.664 6.352) 7.629 5.412 ( 4.609 -1.353 -2.501) 5.416 19.611 ( -0.350 -0.237 0.056) 0.426 19.617 ( 0.046 0.040 -0.060) 0.085 19.637 ( -0.645 -1.025 0.305) 1.249 19.655 ( 0.428 -0.400 -0.473) 0.753 19.816 ( -0.659 0.930 0.330) 1.187 19.834 ( 0.371 0.390 -0.563) 0.779 19.895 ( -0.841 0.243 0.308) 0.928 19.911 ( 0.201 -0.027 -0.441) 0.486 25.075 ( -0.190 0.068 0.040) 0.206 25.079 ( 0.116 -0.011 -0.016) 0.118 25.125 ( -0.389 -0.013 0.030) 0.390 25.130 ( 0.359 -0.118 0.358) 0.521 31.239 ( -0.162 0.050 0.017) 0.170 31.245 ( 0.130 -0.121 -0.254) 0.310 31.247 ( 0.014 0.167 0.103) 0.197 31.252 ( 0.233 0.124 -0.258) 0.369 41.145 ( -2.603 1.895 -0.044) 3.220 41.216 ( 5.189 0.431 0.465) 5.228 41.594 ( -2.262 -1.397 -0.130) 2.662 41.656 ( 5.739 -0.753 2.178) 6.184 42.268 ( -3.779 1.251 10.300) 11.043 42.482 ( -2.436 -5.961 -9.144) 11.183 43.002 ( -6.983 7.737 6.401) 12.231 43.350 ( 7.001 -2.141 -15.261) 16.927 ======================= Grid point 152 (85/96) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -8.708 -1.352 4.113) 9.725 1.162 ( -3.924 -2.833 -3.157) 5.779 1.360 ( -3.876 2.604 -3.932) 6.105 1.460 ( 1.017 2.327 -0.694) 2.633 1.557 ( 0.339 -2.077 0.920) 2.296 1.670 ( -5.587 2.715 5.618) 8.375 1.722 ( -6.579 -2.791 3.648) 8.023 1.886 ( -3.269 3.661 6.119) 7.844 2.038 ( -2.305 -0.275 2.276) 3.251 2.086 ( -0.171 -7.065 4.410) 8.330 2.149 ( -3.050 4.067 -4.341) 6.685 2.260 ( -2.680 -1.289 -1.426) 3.298 2.330 ( 0.495 -2.177 -1.598) 2.746 2.361 ( -0.236 -2.735 2.504) 3.716 2.393 ( 5.378 1.761 -6.585) 8.682 2.428 ( -1.039 0.872 -4.862) 5.048 2.568 ( 2.145 6.396 -0.976) 6.816 2.611 ( -0.493 2.289 2.124) 3.161 2.730 ( 0.854 -2.795 -1.789) 3.427 2.790 ( 2.434 1.030 -1.151) 2.882 2.858 ( 0.978 1.097 -6.187) 6.359 2.893 ( -11.208 2.041 5.648) 12.715 2.977 ( -6.962 -1.949 0.133) 7.231 3.156 ( 3.556 -1.744 -1.030) 4.093 3.175 ( -1.205 -0.843 3.843) 4.115 3.274 ( -0.397 -3.983 1.493) 4.272 3.506 ( -3.769 -1.869 -1.692) 4.534 3.597 ( 0.535 -4.652 6.594) 8.087 3.775 ( -3.798 0.883 0.144) 3.902 3.831 ( -0.357 -0.647 -0.991) 1.236 3.885 ( -0.618 2.345 -4.777) 5.358 3.987 ( -0.857 3.610 -0.687) 3.773 4.104 ( -0.946 -0.303 2.333) 2.536 4.132 ( 1.237 -0.937 0.397) 1.602 4.246 ( -1.838 -1.490 -1.805) 2.976 4.281 ( -0.730 4.819 1.347) 5.057 4.334 ( -3.077 -2.972 -2.167) 4.796 4.441 ( -3.451 2.402 0.475) 4.231 4.491 ( -2.749 0.456 -2.708) 3.886 4.599 ( 2.850 1.141 -2.660) 4.062 4.655 ( 0.274 -1.453 -0.474) 1.553 4.803 ( 2.558 -3.179 3.167) 5.166 4.856 ( 1.946 0.310 -2.161) 2.924 4.913 ( 5.794 1.247 -4.415) 7.391 5.176 ( -4.095 3.707 1.630) 5.759 5.215 ( -3.966 4.398 4.042) 7.170 5.465 ( 1.897 -2.422 10.798) 11.227 5.577 ( 11.840 -5.125 -4.633) 13.708 19.604 ( -0.452 -0.453 -0.098) 0.647 19.612 ( -0.490 -0.098 0.367) 0.620 19.628 ( -0.164 -0.760 -0.153) 0.792 19.659 ( 0.153 -0.095 -0.420) 0.457 19.801 ( -0.897 1.015 0.028) 1.355 19.831 ( -0.570 0.106 -0.725) 0.928 19.876 ( -1.259 0.397 0.401) 1.380 19.906 ( -0.653 -0.276 -0.503) 0.869 25.073 ( -0.010 0.073 0.150) 0.167 25.080 ( 0.063 -0.086 0.072) 0.128 25.119 ( -0.294 0.159 0.011) 0.334 25.137 ( 0.264 -0.263 0.410) 0.554 31.236 ( -0.155 0.132 -0.124) 0.238 31.246 ( 0.018 -0.059 -0.140) 0.153 31.247 ( 0.043 -0.021 -0.367) 0.370 31.255 ( 0.041 0.088 -0.253) 0.271 41.125 ( 0.625 4.015 -0.247) 4.071 41.317 ( 4.587 0.854 0.864) 4.745 41.566 ( 0.547 0.663 -3.059) 3.178 41.824 ( 9.253 -3.296 7.153) 12.151 42.171 ( -8.406 0.715 7.240) 11.117 42.382 ( -6.035 -7.442 -5.014) 10.814 42.847 ( -9.541 11.013 -1.038) 14.608 43.374 ( -0.276 -4.172 -19.365) 19.811 ======================= Grid point 153 (86/96) ======================= q-point: (-0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -9.887 -3.828 7.223) 12.829 1.074 ( -3.032 -5.563 -9.089) 11.079 1.255 ( -6.105 4.666 0.617) 7.709 1.448 ( -6.221 2.595 -0.435) 6.755 1.520 ( -4.072 7.618 3.062) 9.164 1.588 ( 1.572 -3.255 1.900) 4.084 1.691 ( -1.660 -4.216 3.103) 5.491 1.839 ( -2.622 4.211 3.491) 6.066 1.938 ( -6.541 2.847 -0.167) 7.136 2.056 ( -5.313 -0.058 -0.389) 5.327 2.119 ( 1.774 -4.475 5.885) 7.604 2.198 ( -2.860 -0.777 -0.046) 2.964 2.320 ( -2.656 -0.710 1.011) 2.929 2.359 ( 1.555 -3.337 -1.952) 4.167 2.441 ( 1.094 -1.000 2.533) 2.934 2.480 ( 3.037 3.385 -5.845) 7.406 2.560 ( -3.832 -0.859 0.521) 3.962 2.622 ( 1.235 4.518 -0.248) 4.690 2.647 ( -4.752 3.568 3.960) 7.141 2.743 ( -1.131 0.414 -2.117) 2.435 2.803 ( -4.728 -0.234 -6.168) 7.776 2.858 ( 1.185 0.048 0.245) 1.211 2.961 ( 3.304 -0.308 -1.652) 3.707 3.107 ( -6.267 -0.377 2.930) 6.928 3.214 ( 2.675 -2.527 -0.002) 3.680 3.255 ( -0.803 -4.764 -0.145) 4.834 3.440 ( -2.929 -0.485 -0.219) 2.977 3.609 ( -1.380 -5.592 6.087) 8.380 3.710 ( -2.672 0.443 0.691) 2.795 3.800 ( -2.244 -0.645 -0.040) 2.336 3.870 ( 0.004 0.030 -3.488) 3.488 4.000 ( 1.361 5.332 -2.797) 6.173 4.065 ( -2.833 -1.004 2.338) 3.807 4.130 ( -4.152 -0.311 -0.527) 4.196 4.177 ( 0.872 3.192 -3.117) 4.546 4.232 ( -4.935 -0.881 -2.950) 5.816 4.328 ( -0.277 2.048 -0.752) 2.199 4.385 ( -1.687 1.821 0.296) 2.500 4.440 ( -0.158 0.346 -0.526) 0.649 4.609 ( -1.077 -0.963 -2.156) 2.595 4.674 ( 0.886 -1.803 -1.119) 2.299 4.792 ( -3.255 -1.763 3.027) 4.782 4.871 ( -2.952 -1.376 0.301) 3.271 4.978 ( 0.431 -2.019 -3.258) 3.857 5.165 ( 4.403 8.367 0.174) 9.456 5.216 ( 2.192 7.112 6.533) 9.903 5.552 ( 5.397 -3.142 10.947) 12.603 5.809 ( 13.336 -7.818 -6.697) 16.847 19.593 ( -0.471 -0.411 0.021) 0.626 19.607 ( -0.189 0.561 0.198) 0.625 19.631 ( 0.577 -0.899 -0.201) 1.086 19.661 ( 0.192 0.004 -0.310) 0.365 19.784 ( -0.870 0.742 -0.050) 1.144 19.813 ( -1.067 -0.162 -0.518) 1.197 19.849 ( -1.618 0.325 0.359) 1.689 19.883 ( -1.525 -0.382 -0.678) 1.712 25.077 ( 0.355 -0.038 0.218) 0.418 25.082 ( 0.049 -0.120 0.140) 0.191 25.115 ( -0.105 0.271 0.055) 0.295 25.141 ( 0.023 -0.370 0.473) 0.601 31.234 ( 0.029 0.153 -0.143) 0.211 31.245 ( -0.091 -0.061 -0.230) 0.255 31.246 ( -0.071 -0.133 -0.444) 0.469 31.254 ( 0.041 0.004 -0.065) 0.077 41.162 ( 3.175 6.039 -0.105) 6.824 41.374 ( 1.159 3.483 1.250) 3.877 41.594 ( 2.906 1.616 -4.143) 5.312 41.919 ( -7.997 -2.036 9.622) 12.676 42.089 ( 4.262 -3.740 0.542) 5.696 42.247 ( -6.394 -6.344 2.933) 9.472 42.654 ( -9.692 12.295 -9.115) 18.116 43.245 ( -7.796 -4.921 -21.542) 23.432 ======================= Grid point 154 (87/96) ======================= q-point: (-0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -6.258 -6.317 10.229) 13.554 1.014 ( -1.067 -7.971 -11.235) 13.817 1.128 ( -8.064 6.026 7.233) 12.396 1.293 ( -6.770 6.120 -6.976) 11.487 1.483 ( -1.002 6.326 0.184) 6.408 1.592 ( -7.251 2.509 5.091) 9.208 1.648 ( 2.353 -2.011 0.210) 3.103 1.801 ( -2.845 6.084 -0.092) 6.717 1.883 ( 0.974 1.253 0.754) 1.757 1.959 ( -4.063 -4.489 0.682) 6.093 2.148 ( -1.982 -0.552 8.891) 9.126 2.185 ( 1.617 -5.083 5.008) 7.317 2.266 ( -1.230 -3.502 -0.048) 3.712 2.388 ( 0.360 -2.124 -1.212) 2.472 2.440 ( -1.063 -1.126 3.370) 3.708 2.452 ( -1.910 1.233 4.726) 5.244 2.558 ( 1.348 -0.598 -6.092) 6.268 2.590 ( -2.033 2.032 1.506) 3.245 2.643 ( -1.832 2.992 2.415) 4.259 2.722 ( 3.879 4.963 -5.198) 8.167 2.783 ( 1.707 -0.059 -8.886) 9.048 2.846 ( -1.882 1.294 -1.960) 3.010 2.990 ( -3.399 -1.832 1.735) 4.233 3.003 ( -0.902 -0.772 -2.127) 2.436 3.249 ( 0.931 -2.719 1.615) 3.296 3.274 ( 2.712 -2.721 -2.446) 4.555 3.401 ( -0.724 0.146 0.690) 1.011 3.556 ( -4.901 -3.238 1.900) 6.174 3.699 ( 1.045 -2.207 3.613) 4.361 3.770 ( -0.851 -1.408 1.418) 2.172 3.868 ( 0.543 -0.045 -2.458) 2.517 3.997 ( -1.931 3.170 -2.031) 4.231 4.023 ( -1.089 -2.811 0.242) 3.024 4.057 ( -5.672 0.022 -1.606) 5.895 4.095 ( -0.896 2.533 -1.679) 3.168 4.208 ( -3.025 -1.554 -2.250) 4.078 4.341 ( -1.542 1.346 -0.597) 2.132 4.371 ( 7.201 6.161 0.822) 9.513 4.483 ( 0.920 0.578 0.154) 1.097 4.558 ( -3.064 -3.583 -1.937) 5.097 4.625 ( -4.696 -1.449 1.160) 5.049 4.740 ( -6.445 4.466 -0.120) 7.842 4.793 ( 0.290 -3.770 1.542) 4.083 4.930 ( -3.806 -0.823 -0.184) 3.898 5.275 ( 2.846 6.397 5.139) 8.685 5.302 ( 6.732 9.632 -2.085) 11.935 5.711 ( 7.466 -4.563 10.781) 13.885 6.005 ( 8.080 -8.879 -8.737) 14.848 19.591 ( 0.250 0.221 0.081) 0.343 19.604 ( -0.182 0.862 0.022) 0.881 19.647 ( 0.995 -0.756 -0.110) 1.254 19.664 ( 0.143 -0.079 -0.186) 0.248 19.771 ( -0.420 0.253 -0.009) 0.490 19.789 ( -1.322 -0.280 -0.072) 1.353 19.822 ( -1.025 0.015 0.227) 1.050 19.850 ( -1.693 -0.470 -0.673) 1.882 25.083 ( 0.073 -0.095 0.245) 0.273 25.086 ( 0.401 -0.174 -0.048) 0.440 25.118 ( 0.474 0.117 0.182) 0.521 25.139 ( -0.368 -0.385 0.479) 0.716 31.235 ( 0.064 0.086 -0.088) 0.139 31.242 ( -0.165 -0.138 -0.153) 0.264 31.245 ( 0.227 -0.094 -0.299) 0.387 31.255 ( -0.104 -0.170 0.102) 0.223 41.239 ( 4.955 8.074 -0.335) 9.479 41.376 ( -1.167 6.098 1.295) 6.343 41.636 ( 1.979 1.274 -4.340) 4.937 41.735 ( -9.641 -0.538 2.536) 9.984 42.048 ( -5.101 -3.828 -0.057) 6.378 42.310 ( 3.601 -3.188 9.425) 10.581 42.423 ( -9.918 10.950 -7.241) 16.453 43.023 ( -8.930 -4.699 -19.805) 22.227 ======================= Grid point 155 (88/96) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -1.309 1.619 5.444) 5.829 0.759 ( -0.454 -9.871 -7.124) 12.182 1.229 ( -1.762 12.287 8.130) 14.838 1.382 ( 1.416 9.011 -7.670) 11.918 1.467 ( -0.478 -9.328 4.933) 10.563 1.558 ( 1.318 -7.207 -4.073) 8.383 1.732 ( 3.540 2.119 -1.223) 4.303 1.734 ( -2.765 1.184 -1.546) 3.381 1.952 ( 0.365 6.555 4.145) 7.764 1.988 ( 2.019 5.932 0.820) 6.320 2.095 ( -1.809 -2.916 6.827) 7.641 2.135 ( 2.685 -4.979 1.648) 5.892 2.248 ( -1.093 1.572 2.071) 2.820 2.285 ( -2.581 -1.865 0.052) 3.185 2.426 ( -0.173 -1.366 2.088) 2.501 2.453 ( 1.495 -3.038 0.758) 3.470 2.530 ( -0.752 1.426 2.848) 3.273 2.555 ( -1.706 -0.910 0.388) 1.972 2.739 ( 1.550 1.095 -4.599) 4.975 2.750 ( 0.971 -1.233 -4.271) 4.551 2.831 ( -3.414 2.724 1.060) 4.495 2.882 ( -0.257 -0.597 -2.949) 3.019 2.909 ( 1.665 3.015 -0.254) 3.453 2.978 ( 2.479 -2.464 -5.775) 6.750 3.232 ( 0.160 0.061 0.398) 0.433 3.259 ( 0.879 -2.062 -2.343) 3.243 3.419 ( 2.363 -0.947 1.049) 2.753 3.428 ( -1.296 -1.652 0.318) 2.124 3.721 ( 2.191 -0.480 2.180) 3.128 3.733 ( 0.362 -1.477 1.100) 1.877 3.878 ( -0.183 0.312 -1.386) 1.433 3.889 ( -3.096 -0.756 -2.228) 3.889 4.008 ( -0.198 1.187 2.145) 2.460 4.031 ( 1.429 -1.199 0.469) 1.924 4.114 ( -1.467 1.344 -1.734) 2.639 4.130 ( -1.503 -0.356 -2.592) 3.017 4.393 ( 2.395 1.547 0.212) 2.859 4.408 ( -3.565 1.071 -1.419) 3.984 4.491 ( 1.640 -3.319 0.348) 3.718 4.502 ( -1.475 -3.361 -0.667) 3.730 4.665 ( 5.524 4.519 1.631) 7.321 4.685 ( -3.802 3.407 -0.146) 5.108 4.817 ( 1.907 -0.523 1.098) 2.262 4.838 ( -3.257 -1.655 -0.872) 3.756 5.462 ( -1.734 9.395 8.328) 12.674 5.600 ( 2.499 6.054 -4.196) 7.779 5.686 ( 0.206 -3.836 7.740) 8.641 5.857 ( 1.085 -10.588 -8.133) 13.395 19.618 ( 0.298 1.179 0.124) 1.222 19.620 ( -0.391 1.152 -0.179) 1.230 19.647 ( 0.389 -0.989 0.065) 1.065 19.649 ( -0.433 -0.949 -0.144) 1.053 19.769 ( -0.024 0.093 0.181) 0.205 19.771 ( 0.272 -0.077 -0.027) 0.284 19.810 ( -0.008 -0.113 0.096) 0.148 19.814 ( -0.435 -0.455 -0.288) 0.693 25.084 ( 0.044 0.038 0.154) 0.164 25.086 ( 0.044 -0.148 -0.039) 0.159 25.125 ( -0.091 -0.102 0.257) 0.291 25.126 ( 0.122 -0.213 0.148) 0.287 31.237 ( -0.118 0.222 0.043) 0.255 31.239 ( -0.032 0.127 -0.174) 0.218 31.244 ( -0.284 -0.276 0.087) 0.406 31.246 ( 0.172 -0.378 -0.094) 0.426 41.454 ( -3.584 5.293 2.469) 6.853 41.495 ( 2.537 2.154 -1.203) 3.539 41.609 ( -0.220 0.916 0.218) 0.967 41.634 ( 1.422 -1.163 -1.857) 2.612 42.181 ( 8.984 7.341 5.929) 13.029 42.278 ( -2.035 2.591 -0.480) 3.330 42.472 ( -2.245 4.337 0.630) 4.924 42.669 ( -8.945 -10.313 -15.589) 20.722 ======================= Grid point 156 (89/96) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 5.243 1.169 5.641) 7.789 0.790 ( 4.922 -8.629 -4.268) 10.812 1.270 ( 4.451 10.741 5.439) 12.836 1.439 ( 3.531 5.576 -3.892) 7.662 1.473 ( 2.307 -6.638 1.315) 7.149 1.592 ( 2.423 -6.534 -3.625) 7.855 1.719 ( 1.170 6.370 -1.951) 6.764 1.829 ( 6.211 -4.532 -1.520) 7.838 1.991 ( 3.740 9.073 2.592) 10.151 2.031 ( 2.416 5.631 -3.664) 7.139 2.095 ( 0.271 -1.954 5.441) 5.787 2.204 ( 2.767 -6.401 -1.290) 7.092 2.224 ( -0.865 0.716 1.813) 2.133 2.245 ( -1.699 0.011 5.439) 5.698 2.410 ( -1.272 -1.246 1.504) 2.331 2.461 ( -1.274 -4.850 -1.614) 5.268 2.528 ( -0.817 0.850 1.341) 1.786 2.544 ( 0.190 -0.993 2.638) 2.826 2.753 ( 1.935 1.004 -2.302) 3.171 2.762 ( -1.981 1.678 3.225) 4.140 2.810 ( 3.274 1.529 -4.161) 5.512 2.881 ( 0.010 -3.194 1.559) 3.554 2.933 ( 1.931 5.414 -5.435) 7.910 3.026 ( 4.221 -3.596 -5.417) 7.752 3.215 ( -1.822 0.855 -0.586) 2.096 3.255 ( -0.230 -2.239 -3.013) 3.761 3.428 ( 1.242 1.742 -0.247) 2.154 3.490 ( 4.045 -4.144 -0.003) 5.791 3.739 ( 0.941 0.420 -1.321) 1.675 3.765 ( 1.554 -1.790 -1.041) 2.589 3.860 ( -0.593 1.221 -0.231) 1.377 3.901 ( 1.707 -3.102 1.488) 3.840 4.011 ( 1.447 2.159 3.218) 4.137 4.034 ( 0.914 0.156 -0.064) 0.929 4.136 ( 2.054 0.692 -0.960) 2.371 4.145 ( 2.807 -0.939 0.797) 3.065 4.378 ( 1.013 2.529 -0.189) 2.731 4.435 ( -0.020 -2.850 0.591) 2.910 4.486 ( -0.748 0.968 -0.548) 1.341 4.520 ( 0.959 -0.089 1.340) 1.651 4.631 ( 0.304 3.093 -1.714) 3.549 4.728 ( 0.121 -4.333 -0.134) 4.337 4.819 ( 2.139 3.027 0.959) 3.828 4.870 ( 2.087 -1.972 2.163) 3.595 5.407 ( -5.178 9.887 5.536) 12.459 5.590 ( -2.276 2.558 -3.287) 4.747 5.637 ( -6.295 -2.527 4.216) 7.987 5.796 ( -4.674 -7.702 -8.286) 12.240 19.606 ( -0.767 0.958 -0.066) 1.229 19.621 ( -0.192 0.490 0.287) 0.599 19.631 ( -0.956 -0.354 -0.206) 1.040 19.649 ( -0.231 -1.055 0.132) 1.088 19.777 ( 0.713 0.442 0.110) 0.846 19.784 ( 0.853 -0.250 0.040) 0.890 19.826 ( 1.598 -0.055 -0.166) 1.608 19.828 ( 1.713 -0.339 0.313) 1.774 25.083 ( -0.160 0.005 0.024) 0.162 25.084 ( -0.173 -0.122 -0.116) 0.241 25.122 ( -0.100 0.338 0.162) 0.388 25.132 ( 0.205 -0.600 0.137) 0.649 31.235 ( -0.092 0.155 0.127) 0.220 31.239 ( -0.243 -0.168 0.162) 0.337 31.240 ( 0.057 0.226 0.034) 0.236 31.248 ( 0.028 -0.475 0.053) 0.479 41.363 ( -5.494 6.839 2.152) 9.033 41.463 ( -3.684 -2.535 0.745) 4.534 41.678 ( 3.301 3.965 -0.463) 5.180 41.740 ( 8.941 -2.684 -1.007) 9.389 42.160 ( -3.935 13.322 -8.626) 16.352 42.394 ( 7.805 -2.944 -4.538) 9.496 42.478 ( -2.919 -0.358 -0.076) 2.942 42.592 ( 8.320 -5.976 11.350) 15.289 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 10.019 0.643 4.283) 10.915 0.913 ( 8.699 -5.573 -2.590) 10.651 1.376 ( 4.296 6.995 1.132) 8.286 1.474 ( 2.140 -0.710 0.406) 2.291 1.543 ( 3.080 -0.584 -2.270) 3.870 1.618 ( 0.513 -5.525 -3.129) 6.371 1.766 ( 4.748 8.031 -2.469) 9.651 1.921 ( 3.598 -7.345 -0.826) 8.221 2.063 ( 2.578 4.738 -6.100) 8.143 2.091 ( 4.986 2.478 -3.142) 6.393 2.133 ( 0.070 3.363 6.087) 6.955 2.174 ( -0.299 -1.660 1.600) 2.325 2.230 ( -0.151 2.393 4.303) 4.926 2.292 ( 3.367 -2.609 -0.915) 4.356 2.387 ( -1.794 -0.746 0.616) 2.038 2.425 ( -1.597 -3.817 1.202) 4.309 2.521 ( 0.315 0.542 1.201) 1.355 2.565 ( 1.799 -3.901 3.001) 5.240 2.732 ( -1.607 5.560 2.050) 6.140 2.789 ( 1.341 -0.117 2.386) 2.740 2.859 ( -0.934 0.357 0.051) 1.001 2.876 ( 1.933 -2.417 -1.066) 3.274 2.984 ( 4.601 4.620 -6.957) 9.535 3.106 ( 4.319 -6.353 -3.732) 8.540 3.175 ( -1.017 2.975 -1.240) 3.379 3.246 ( 0.403 -3.072 -3.358) 4.568 3.460 ( 1.944 3.164 -0.360) 3.731 3.556 ( 2.884 -5.946 -1.039) 6.690 3.768 ( 2.085 1.569 -2.243) 3.441 3.787 ( 0.991 -0.445 -0.484) 1.189 3.838 ( -1.281 1.872 1.028) 2.491 3.918 ( 1.023 -5.417 1.055) 5.613 4.089 ( 4.545 2.615 3.804) 6.478 4.118 ( 5.608 0.342 5.390) 7.785 4.171 ( 2.280 0.319 -2.830) 3.648 4.190 ( 1.258 -0.549 0.893) 1.637 4.393 ( -2.702 3.936 -0.389) 4.790 4.419 ( 1.848 0.276 0.012) 1.869 4.453 ( -0.115 2.262 -1.142) 2.536 4.551 ( 0.211 -3.797 2.176) 4.381 4.652 ( 1.506 2.271 -1.345) 3.039 4.748 ( 2.016 -5.637 0.576) 6.014 4.847 ( -0.530 1.814 2.094) 2.821 4.882 ( -1.555 -1.465 2.323) 3.156 5.324 ( -3.967 8.670 2.407) 9.833 5.501 ( -8.142 -6.028 4.815) 11.216 5.521 ( -3.426 6.444 -6.188) 9.568 5.677 ( -4.782 -6.263 -8.961) 11.933 19.597 ( -0.024 0.494 -0.169) 0.523 19.612 ( -0.403 -0.905 -0.158) 1.003 19.623 ( -0.077 0.939 0.185) 0.960 19.644 ( -0.345 -0.960 0.346) 1.077 19.794 ( 0.987 0.602 0.374) 1.215 19.802 ( 0.967 -0.179 0.410) 1.066 19.860 ( 1.856 0.202 -0.243) 1.883 19.865 ( 1.932 -0.313 0.043) 1.957 25.079 ( -0.170 0.027 -0.109) 0.204 25.081 ( -0.113 -0.132 -0.109) 0.205 25.122 ( 0.003 0.512 0.169) 0.539 25.134 ( -0.034 -0.630 0.138) 0.646 31.234 ( -0.051 0.109 0.169) 0.208 31.236 ( -0.046 -0.095 0.273) 0.293 31.242 ( 0.141 0.228 0.163) 0.314 31.249 ( 0.077 -0.325 0.138) 0.361 41.269 ( -4.973 6.691 2.565) 8.722 41.384 ( -4.936 -4.143 1.679) 6.659 41.691 ( -1.950 8.572 -0.966) 8.844 41.848 ( 0.106 -7.789 0.973) 7.850 42.167 ( 6.806 6.236 -7.938) 12.175 42.301 ( -2.786 -5.757 -9.680) 11.602 42.708 ( 14.665 5.700 5.436) 16.646 42.810 ( 10.697 -4.068 12.267) 16.777 ======================= Grid point 158 (91/96) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 10.108 0.487 1.803) 10.279 1.088 ( 9.788 -3.050 -2.300) 10.506 1.419 ( 0.369 6.219 0.245) 6.235 1.522 ( 2.407 0.753 -0.358) 2.547 1.572 ( -2.521 -2.315 -3.846) 5.148 1.587 ( 1.138 -4.216 -0.886) 4.456 1.864 ( 4.989 4.010 -2.833) 6.999 1.965 ( 1.200 -5.633 -0.328) 5.769 2.079 ( -2.883 3.021 5.610) 6.993 2.111 ( 0.869 1.345 -4.275) 4.565 2.137 ( -0.423 -0.310 0.066) 0.529 2.170 ( 2.200 -3.146 -1.888) 4.278 2.310 ( 0.101 2.286 -1.253) 2.609 2.336 ( 4.772 1.218 0.631) 4.965 2.358 ( -0.080 1.779 0.472) 1.842 2.412 ( 0.448 -2.205 1.257) 2.577 2.564 ( 3.462 0.112 3.378) 4.838 2.609 ( 1.441 -2.718 0.726) 3.161 2.704 ( -2.166 4.129 0.207) 4.667 2.779 ( -3.366 -2.096 -0.123) 3.967 2.844 ( 0.974 4.316 3.904) 5.901 2.927 ( 3.344 -3.814 1.719) 5.355 3.040 ( 2.706 2.546 -5.882) 6.957 3.107 ( -0.939 -2.859 -3.944) 4.962 3.218 ( 2.714 0.424 -0.008) 2.747 3.266 ( 2.026 -2.798 -2.316) 4.159 3.489 ( 1.099 3.178 -0.628) 3.421 3.585 ( 0.479 -5.907 -2.768) 6.541 3.778 ( -0.044 0.548 0.661) 0.860 3.792 ( -0.689 -0.885 0.582) 1.263 3.864 ( 3.649 4.045 2.971) 6.205 3.962 ( 2.762 -5.016 1.818) 6.008 4.142 ( -1.410 1.213 0.078) 1.862 4.155 ( -0.714 0.248 -0.292) 0.810 4.209 ( 1.470 1.362 1.813) 2.702 4.235 ( 2.285 -0.972 2.747) 3.703 4.392 ( 2.181 2.670 -2.049) 4.010 4.438 ( 2.861 -0.716 0.519) 2.994 4.498 ( 3.515 2.634 -0.281) 4.401 4.555 ( 0.637 -2.868 0.401) 2.965 4.668 ( -0.013 3.164 -0.377) 3.186 4.746 ( -3.341 -3.209 2.032) 5.059 4.837 ( 0.041 -0.757 -0.406) 0.860 4.842 ( -2.032 -0.324 2.090) 2.933 5.279 ( -1.242 4.943 1.390) 5.282 5.373 ( -5.874 -2.782 3.633) 7.446 5.451 ( -2.545 5.496 -5.199) 7.982 5.581 ( -3.870 -5.797 -8.078) 10.669 19.603 ( 0.605 0.241 -0.331) 0.730 19.613 ( 0.598 -0.745 -0.575) 1.115 19.622 ( -0.151 0.603 0.439) 0.761 19.638 ( -0.406 -0.850 0.586) 1.110 19.814 ( 1.002 0.615 0.514) 1.283 19.821 ( 0.821 -0.006 0.600) 1.017 19.889 ( 1.174 0.353 -0.246) 1.250 19.895 ( 1.194 -0.277 -0.303) 1.262 25.077 ( -0.023 0.084 -0.122) 0.150 25.080 ( -0.040 -0.128 -0.082) 0.157 25.123 ( 0.034 0.407 0.196) 0.453 25.132 ( -0.172 -0.469 0.142) 0.519 31.235 ( 0.168 0.082 0.156) 0.243 31.237 ( 0.090 -0.100 0.256) 0.290 31.246 ( 0.173 0.273 0.181) 0.370 31.251 ( 0.095 -0.189 0.116) 0.241 41.196 ( -3.144 5.085 2.692) 6.557 41.292 ( -5.017 -3.903 2.218) 6.732 41.626 ( -3.560 6.940 -1.472) 7.937 41.766 ( -6.648 -7.136 -1.441) 9.859 42.275 ( 3.557 2.378 0.142) 4.281 42.327 ( 6.370 -2.873 -6.141) 9.303 42.983 ( 13.110 2.674 0.110) 13.381 43.021 ( 8.343 -0.860 8.163) 11.704 ======================= Grid point 159 (92/96) ======================= q-point: ( 0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 6.267 1.513 -0.822) 6.499 1.242 ( 5.503 -1.354 -0.945) 5.745 1.392 ( -2.390 3.598 -0.459) 4.344 1.464 ( -5.294 -0.462 -3.424) 6.322 1.581 ( 2.981 -0.703 1.465) 3.395 1.634 ( 1.945 -2.935 0.551) 3.563 1.907 ( 0.038 -0.476 -1.624) 1.693 1.957 ( -1.994 -4.668 -2.101) 5.494 2.037 ( -2.233 2.666 6.852) 7.684 2.077 ( -2.890 -0.427 5.581) 6.299 2.179 ( 3.945 1.663 -5.291) 6.806 2.201 ( 1.336 -0.468 -6.014) 6.179 2.296 ( 0.282 0.588 0.058) 0.655 2.323 ( -1.903 -1.247 -0.384) 2.308 2.446 ( 3.908 1.652 2.732) 5.047 2.466 ( 4.860 -0.146 -0.826) 4.932 2.593 ( -2.254 1.892 -0.496) 2.984 2.625 ( -3.424 -1.312 -0.414) 3.690 2.657 ( 2.155 2.259 0.015) 3.122 2.725 ( -1.095 -2.783 -1.721) 3.450 2.906 ( 4.103 4.827 3.310) 7.147 2.997 ( 2.082 -3.330 3.467) 5.239 3.056 ( -0.707 0.336 -3.511) 3.597 3.093 ( 1.006 -2.038 -4.446) 4.993 3.229 ( -1.180 1.402 2.000) 2.712 3.273 ( -1.371 -1.724 -0.378) 2.234 3.499 ( 0.233 1.390 0.518) 1.501 3.563 ( -1.674 -4.331 -2.716) 5.379 3.790 ( 0.955 -0.511 1.302) 1.694 3.794 ( 0.962 -0.964 0.725) 1.543 3.951 ( 4.145 2.952 2.638) 5.732 4.003 ( 0.652 -1.978 0.662) 2.185 4.102 ( -1.008 2.195 -0.230) 2.427 4.152 ( -0.612 -0.858 -1.540) 1.866 4.200 ( -0.697 -0.728 1.360) 1.693 4.242 ( -1.962 -3.019 1.980) 4.109 4.456 ( 4.111 3.482 -1.508) 5.594 4.487 ( 0.525 1.930 0.642) 2.101 4.563 ( 2.210 0.178 0.564) 2.287 4.583 ( 2.525 -1.422 -1.524) 3.274 4.655 ( -0.634 1.409 -0.484) 1.619 4.673 ( -3.236 -0.508 0.273) 3.287 4.827 ( 0.532 0.968 0.581) 1.248 4.849 ( 0.695 -1.436 -1.145) 1.963 5.287 ( 1.586 0.962 2.509) 3.121 5.307 ( -2.134 -0.851 3.758) 4.405 5.398 ( -1.959 3.784 -3.127) 5.286 5.475 ( -5.665 -3.563 -5.005) 8.357 19.614 ( 0.597 0.313 -0.447) 0.809 19.617 ( -0.445 0.169 0.243) 0.535 19.628 ( 0.801 -0.644 -0.342) 1.083 19.630 ( -0.408 -0.772 0.550) 1.032 19.832 ( 0.565 0.466 0.512) 0.893 19.834 ( 0.444 0.258 0.397) 0.649 19.903 ( 0.387 0.315 -0.190) 0.534 19.908 ( 0.323 -0.142 -0.547) 0.651 25.078 ( 0.047 0.057 -0.065) 0.098 25.079 ( -0.062 -0.036 -0.045) 0.085 25.125 ( 0.089 0.158 0.223) 0.287 25.129 ( -0.198 -0.232 0.131) 0.332 31.240 ( 0.182 0.011 0.096) 0.206 31.240 ( 0.188 -0.029 0.063) 0.201 31.249 ( 0.132 0.212 0.113) 0.274 31.252 ( 0.025 -0.063 -0.030) 0.074 41.172 ( 0.081 2.549 2.557) 3.611 41.218 ( -3.003 -1.591 1.705) 3.802 41.579 ( -0.742 2.823 -0.337) 2.938 41.648 ( -4.482 -3.916 -2.520) 6.463 42.324 ( 0.706 3.294 4.445) 5.577 42.402 ( 1.771 -4.499 -2.803) 5.588 43.145 ( 3.362 3.242 2.926) 5.511 43.187 ( 8.668 -1.009 -5.060) 10.087 ======================= Grid point 161 (93/96) ======================= q-point: (-0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -7.054 1.494 -0.707) 7.245 1.231 ( -4.926 -0.203 0.001) 4.930 1.396 ( 2.475 1.660 -0.694) 3.060 1.444 ( 4.297 -2.457 -1.750) 5.250 1.601 ( -3.840 2.157 0.044) 4.405 1.634 ( -0.591 -1.062 1.351) 1.818 1.868 ( -4.535 -1.104 1.869) 5.028 1.919 ( -0.063 -6.178 1.726) 6.415 2.021 ( -2.180 2.917 6.095) 7.100 2.049 ( -1.350 -0.155 4.298) 4.508 2.189 ( 0.441 1.829 -6.341) 6.615 2.249 ( 2.699 -2.567 -5.663) 6.778 2.294 ( 0.401 1.739 0.620) 1.890 2.323 ( 1.785 -0.971 0.242) 2.047 2.462 ( -2.780 2.747 -0.812) 3.991 2.504 ( -2.605 -1.115 -3.278) 4.333 2.565 ( 1.430 3.429 1.246) 3.919 2.616 ( 4.506 -0.816 0.546) 4.611 2.704 ( 0.625 0.458 -1.456) 1.649 2.729 ( 2.968 -1.807 -3.919) 5.238 2.949 ( -3.470 3.217 0.095) 4.733 2.983 ( -0.056 1.466 1.967) 2.454 3.032 ( -1.829 -3.060 -0.254) 3.574 3.084 ( -1.644 -4.652 -3.152) 5.855 3.211 ( -1.971 2.345 5.094) 5.944 3.242 ( -1.300 -0.294 1.740) 2.192 3.506 ( 0.029 -1.276 2.482) 2.791 3.522 ( -2.103 -2.451 -1.233) 3.457 3.810 ( 0.953 -0.262 -0.733) 1.230 3.816 ( 0.688 -0.692 -1.123) 1.488 3.990 ( -1.073 1.918 -1.614) 2.727 4.017 ( 1.793 -0.801 -0.556) 2.041 4.095 ( -1.920 2.287 0.315) 3.003 4.118 ( 0.022 1.641 1.294) 2.090 4.202 ( -0.274 -1.863 1.675) 2.520 4.244 ( 2.688 -4.414 1.627) 5.418 4.449 ( -3.486 4.302 -0.777) 5.592 4.512 ( 0.216 -0.225 -1.389) 1.423 4.570 ( 0.056 0.949 -0.398) 1.031 4.583 ( -1.843 0.697 -1.820) 2.682 4.664 ( 0.716 0.686 -1.281) 1.620 4.679 ( 3.109 -1.700 -0.121) 3.545 4.845 ( 1.196 0.861 -1.082) 1.828 4.863 ( 1.724 -0.609 -2.574) 3.157 5.291 ( -1.137 2.288 3.274) 4.153 5.336 ( 1.937 -1.562 3.332) 4.159 5.360 ( -3.370 0.273 0.973) 3.518 5.384 ( 0.358 -1.420 -0.035) 1.465 19.607 ( -0.666 -0.039 0.364) 0.760 19.612 ( -0.765 -0.580 0.506) 1.085 19.629 ( 0.333 0.430 -0.333) 0.638 19.643 ( 0.633 -0.771 -0.602) 1.166 19.833 ( -0.382 0.686 0.259) 0.827 19.840 ( -0.051 0.046 -0.036) 0.078 19.902 ( -0.473 0.406 -0.115) 0.634 19.908 ( -0.141 -0.228 -0.549) 0.611 25.077 ( -0.111 0.086 0.016) 0.141 25.078 ( 0.010 -0.049 -0.004) 0.050 25.126 ( -0.151 0.047 0.125) 0.201 25.127 ( 0.137 -0.129 0.251) 0.314 31.241 ( -0.040 0.096 -0.065) 0.123 31.243 ( 0.067 -0.100 -0.149) 0.191 31.251 ( 0.023 0.183 -0.038) 0.188 31.253 ( 0.133 -0.043 -0.173) 0.223 41.188 ( 0.265 2.123 1.396) 2.555 41.217 ( 3.352 -0.602 1.407) 3.684 41.584 ( 0.283 0.826 -0.115) 0.881 41.622 ( 3.323 -2.375 -0.799) 4.162 42.306 ( -4.109 2.614 5.847) 7.609 42.375 ( -3.996 -4.422 -0.208) 5.964 43.158 ( -1.946 7.335 -2.562) 8.010 43.281 ( 3.008 -4.846 -9.718) 11.268 ======================= Grid point 162 (94/96) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -9.577 1.349 1.338) 9.763 1.098 ( -7.564 -3.298 -2.622) 8.659 1.435 ( -0.374 4.645 -1.620) 4.934 1.504 ( -2.046 -0.141 1.889) 2.788 1.526 ( 1.624 0.383 0.782) 1.843 1.587 ( -3.856 -5.229 0.374) 6.508 1.794 ( -3.861 5.397 3.787) 7.641 1.925 ( -0.449 -7.230 3.177) 7.910 1.971 ( -4.138 3.343 5.891) 7.937 2.025 ( -2.985 -1.615 4.014) 5.256 2.193 ( 1.340 1.878 -5.043) 5.545 2.254 ( 0.695 -3.559 -2.457) 4.380 2.306 ( -3.094 3.192 0.228) 4.451 2.342 ( -0.339 -0.388 0.196) 0.551 2.437 ( 1.720 1.798 -2.959) 3.866 2.447 ( -0.041 0.650 -6.349) 6.383 2.604 ( 0.244 0.373 0.532) 0.694 2.652 ( -0.605 -4.079 -3.388) 5.337 2.712 ( 1.911 5.315 -0.709) 5.693 2.788 ( 3.367 -1.984 -0.851) 4.000 2.895 ( -2.725 2.239 -1.201) 3.725 2.938 ( -5.404 -1.967 0.581) 5.780 2.957 ( -4.236 4.883 1.593) 6.658 3.074 ( 0.744 -6.019 0.082) 6.066 3.178 ( -2.008 0.952 3.359) 4.027 3.207 ( -2.986 -2.102 3.541) 5.087 3.478 ( -2.246 -0.264 0.504) 2.317 3.511 ( -0.565 -3.464 4.125) 5.417 3.796 ( -2.235 1.115 -0.923) 2.663 3.816 ( -0.549 -0.848 -1.462) 1.777 3.938 ( -3.194 3.215 -4.421) 6.331 4.006 ( -1.700 -2.748 -3.113) 4.487 4.112 ( 0.723 1.297 2.406) 2.827 4.123 ( 2.170 0.061 1.569) 2.679 4.245 ( 1.838 1.227 -0.617) 2.294 4.279 ( 0.637 -2.101 0.240) 2.209 4.377 ( -2.665 4.427 -1.155) 5.295 4.461 ( -3.530 -3.294 -1.476) 5.049 4.515 ( -3.697 4.329 -2.163) 6.090 4.593 ( 0.345 -2.835 -3.782) 4.739 4.657 ( -0.387 2.748 0.715) 2.866 4.731 ( 1.198 -3.979 2.497) 4.848 4.875 ( 2.410 1.614 -3.079) 4.230 4.909 ( 3.495 -1.357 -4.242) 5.662 5.282 ( 0.236 6.216 2.351) 6.650 5.320 ( 0.178 5.860 5.097) 7.768 5.395 ( 1.171 -4.608 9.214) 10.369 5.450 ( 6.825 -6.962 -1.563) 9.874 19.596 ( -0.550 -0.135 0.381) 0.683 19.601 ( -0.324 -0.634 0.528) 0.886 19.632 ( 0.057 0.764 -0.468) 0.897 19.649 ( 0.237 -0.805 -0.535) 0.995 19.820 ( -0.973 0.790 -0.051) 1.254 19.830 ( -0.889 -0.206 -0.258) 0.948 19.886 ( -1.118 0.633 -0.093) 1.288 19.898 ( -0.857 -0.505 -0.556) 1.140 25.075 ( -0.037 0.135 0.096) 0.170 25.078 ( -0.008 -0.144 0.064) 0.157 25.123 ( -0.104 0.305 0.135) 0.349 25.130 ( 0.101 -0.368 0.281) 0.474 31.239 ( -0.077 0.194 -0.215) 0.300 31.243 ( 0.028 -0.185 -0.293) 0.348 31.250 ( -0.097 0.228 -0.221) 0.332 31.254 ( -0.025 -0.151 -0.220) 0.268 41.222 ( 3.107 5.121 0.419) 6.005 41.304 ( 5.092 -2.578 0.853) 5.771 41.615 ( 2.986 4.470 -0.323) 5.385 41.727 ( 6.618 -5.976 2.110) 9.163 42.199 ( -8.216 2.219 5.242) 9.995 42.263 ( -7.474 -4.381 1.879) 8.865 43.066 ( -6.213 10.486 -7.989) 14.574 43.252 ( -3.034 -7.933 -14.098) 16.459 ======================= Grid point 163 (95/96) ======================= q-point: (-0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -9.942 2.044 1.833) 10.314 0.953 ( -6.570 -6.151 -5.335) 10.463 1.365 ( -5.044 6.233 2.472) 8.390 1.486 ( -1.361 -1.477 -0.562) 2.085 1.500 ( -3.309 -0.833 2.409) 4.177 1.581 ( 0.922 -4.455 0.372) 4.564 1.733 ( -3.052 9.106 0.695) 9.629 1.903 ( -3.338 -7.586 0.653) 8.314 1.918 ( -2.014 3.501 6.663) 7.792 1.973 ( -2.165 -2.200 6.011) 6.757 2.192 ( -6.240 3.636 -0.439) 7.235 2.210 ( -0.064 3.771 -1.989) 4.264 2.257 ( -1.046 -2.299 -0.010) 2.525 2.329 ( -0.023 -2.701 -0.360) 2.725 2.439 ( 0.114 0.485 -1.734) 1.804 2.475 ( -0.318 -3.476 -4.077) 5.367 2.567 ( -1.282 3.573 -3.543) 5.193 2.638 ( -0.974 -2.465 -3.179) 4.139 2.757 ( 1.876 5.526 -0.393) 5.849 2.796 ( -5.338 2.250 6.328) 8.579 2.811 ( -4.619 1.672 -1.065) 5.027 2.848 ( 2.460 -0.777 0.761) 2.690 2.948 ( 0.531 0.175 -2.920) 2.973 3.042 ( -4.901 -6.989 2.600) 8.923 3.176 ( 2.396 0.340 -1.308) 2.751 3.195 ( 0.530 -1.240 1.778) 2.232 3.439 ( -2.173 1.118 1.681) 2.966 3.501 ( -1.742 -4.791 4.219) 6.618 3.741 ( -2.983 2.289 0.287) 3.771 3.781 ( -2.639 -1.437 0.103) 3.006 3.887 ( -0.901 2.065 -3.582) 4.232 3.958 ( -1.920 -4.622 -2.991) 5.831 4.116 ( -1.948 1.759 0.089) 2.626 4.127 ( -2.239 0.021 1.270) 2.574 4.224 ( -4.501 1.701 -4.049) 6.288 4.244 ( -1.596 0.395 -3.773) 4.116 4.387 ( 2.329 2.457 0.311) 3.400 4.423 ( 0.381 -1.576 -0.179) 1.631 4.452 ( -1.664 6.079 -1.623) 6.508 4.589 ( 0.523 -6.055 -1.419) 6.241 4.636 ( -2.797 3.106 -0.470) 4.206 4.719 ( -2.676 -4.582 2.679) 5.944 4.896 ( -0.577 2.500 -2.068) 3.295 4.942 ( 0.357 -1.939 -2.991) 3.583 5.327 ( 3.686 7.485 5.571) 10.033 5.394 ( 6.212 10.462 1.960) 12.324 5.461 ( 4.114 -5.778 10.716) 12.851 5.613 ( 10.334 -11.008 -3.627) 15.528 19.592 ( 0.164 0.375 0.330) 0.526 19.606 ( 0.724 -0.847 0.313) 1.157 19.630 ( -0.112 0.947 -0.399) 1.034 19.651 ( 0.116 -0.932 -0.372) 1.010 19.799 ( -1.241 0.637 -0.059) 1.396 19.808 ( -1.324 -0.326 -0.129) 1.370 19.859 ( -1.697 0.668 -0.190) 1.833 19.873 ( -1.627 -0.653 -0.664) 1.875 25.077 ( 0.178 0.056 0.172) 0.254 25.079 ( 0.080 -0.142 0.125) 0.205 25.122 ( -0.077 0.444 0.163) 0.479 25.132 ( -0.038 -0.510 0.305) 0.595 31.238 ( 0.029 0.233 -0.234) 0.332 31.243 ( 0.028 -0.220 -0.377) 0.437 31.246 ( -0.190 0.220 -0.265) 0.393 31.252 ( -0.158 -0.254 -0.159) 0.339 41.300 ( 4.839 6.782 -0.137) 8.333 41.397 ( 4.285 -2.203 0.343) 4.830 41.674 ( 2.276 6.531 0.444) 6.930 41.822 ( -0.318 -7.348 3.626) 8.200 42.067 ( -4.561 2.132 2.269) 5.522 42.143 ( -4.151 -4.701 5.288) 8.203 42.895 ( -9.096 11.610 -12.670) 19.444 43.104 ( -8.344 -9.041 -17.156) 21.112 ======================= Grid point 164 (96/96) ======================= q-point: (-0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -6.987 2.646 2.813) 7.983 0.830 ( -4.667 -9.083 -6.921) 12.336 1.278 ( -4.773 8.844 5.250) 11.339 1.432 ( -3.760 7.453 -3.657) 9.113 1.463 ( -0.860 -8.195 3.032) 8.780 1.571 ( -1.253 -3.558 -1.887) 4.218 1.702 ( 0.029 5.479 -0.428) 5.496 1.820 ( -4.954 -5.405 -0.312) 7.338 1.929 ( 0.828 3.965 5.673) 6.971 1.968 ( -0.456 2.422 4.113) 4.795 2.101 ( -1.668 0.693 1.561) 2.387 2.159 ( -4.917 -1.794 3.097) 6.082 2.251 ( 0.424 2.455 0.466) 2.534 2.324 ( -1.378 -3.269 1.278) 3.771 2.431 ( 0.140 -0.886 -0.029) 0.897 2.433 ( -1.816 -2.160 0.469) 2.860 2.546 ( -0.572 2.023 0.458) 2.151 2.604 ( -3.034 -1.814 -2.572) 4.372 2.715 ( 0.001 3.341 -0.193) 3.347 2.765 ( -0.840 -1.542 -1.502) 2.311 2.841 ( 4.257 5.955 -3.831) 8.263 2.873 ( -0.661 1.950 0.957) 2.271 2.944 ( -2.617 -3.073 1.524) 4.314 2.957 ( -0.654 -4.105 -5.388) 6.805 3.215 ( 1.192 -0.170 0.973) 1.548 3.227 ( 2.641 -1.330 -1.590) 3.357 3.408 ( -1.246 1.130 1.768) 2.441 3.467 ( -2.567 -4.559 2.660) 5.870 3.701 ( -1.063 1.671 1.567) 2.525 3.740 ( -1.492 -1.812 1.197) 2.635 3.880 ( 0.551 1.489 -2.022) 2.571 3.935 ( -0.213 -3.938 -1.680) 4.287 4.042 ( -4.062 1.129 -0.710) 4.275 4.056 ( -4.955 -0.309 -0.893) 5.045 4.156 ( -1.390 2.352 -3.118) 4.146 4.186 ( -3.093 -0.975 -2.841) 4.311 4.383 ( -1.445 2.788 -0.780) 3.235 4.447 ( 1.574 -3.451 -0.597) 3.840 4.483 ( 1.415 3.784 -0.598) 4.084 4.548 ( -3.630 -1.069 -1.682) 4.141 4.590 ( -0.502 2.865 2.282) 3.697 4.700 ( 0.786 -5.365 2.198) 5.851 4.842 ( -3.739 4.520 -0.965) 5.945 4.906 ( -3.151 -1.927 -1.207) 3.886 5.423 ( 3.438 8.007 8.346) 12.066 5.520 ( 6.391 9.556 -3.132) 11.915 5.596 ( 6.212 -4.625 9.663) 12.384 5.785 ( 8.013 -12.317 -6.118) 15.917 19.603 ( 0.871 1.018 0.152) 1.348 19.627 ( -0.029 0.453 -0.302) 0.545 19.627 ( 1.180 -0.326 0.137) 1.232 19.652 ( 0.091 -1.070 -0.212) 1.094 19.777 ( -0.936 0.335 0.127) 1.002 19.783 ( -1.199 -0.298 0.161) 1.246 19.826 ( -1.509 0.415 -0.239) 1.583 19.838 ( -1.731 -0.665 -0.627) 1.958 25.081 ( 0.180 -0.020 0.197) 0.267 25.083 ( 0.281 -0.134 0.097) 0.326 25.122 ( 0.055 0.322 0.201) 0.383 25.130 ( -0.219 -0.467 0.289) 0.592 31.238 ( 0.000 0.225 -0.167) 0.280 31.242 ( -0.185 0.136 -0.205) 0.307 31.243 ( 0.116 -0.143 -0.294) 0.347 31.248 ( -0.168 -0.392 -0.001) 0.426 41.397 ( 5.468 6.504 -0.638) 8.521 41.462 ( 2.273 0.768 0.727) 2.507 41.667 ( -3.165 2.088 0.456) 3.819 41.715 ( -8.031 -1.933 0.961) 8.316 42.055 ( 2.663 4.932 3.155) 6.432 42.195 ( 5.530 -7.457 8.545) 12.618 42.666 ( -11.494 12.236 -13.688) 21.661 42.884 ( -9.681 -9.202 -17.443) 21.969 =================== 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 3/22680 10.0 52.346 34.643 25.690 0.000 -6.175 0.000 3/22680 20.0 12.478 8.609 5.765 0.000 -1.847 0.000 3/22680 30.0 5.640 3.999 2.752 0.000 -0.870 0.000 3/22680 40.0 3.380 2.414 1.727 0.000 -0.530 0.000 3/22680 50.0 2.364 1.691 1.248 0.000 -0.373 0.000 3/22680 60.0 1.813 1.298 0.980 0.000 -0.287 0.000 3/22680 70.0 1.473 1.055 0.809 0.000 -0.233 0.000 3/22680 80.0 1.245 0.892 0.692 0.000 -0.197 0.000 3/22680 90.0 1.080 0.774 0.606 0.000 -0.171 0.000 3/22680 100.0 0.956 0.685 0.539 0.000 -0.151 0.000 3/22680 110.0 0.858 0.615 0.487 0.000 -0.136 0.000 3/22680 120.0 0.780 0.559 0.444 0.000 -0.123 0.000 3/22680 130.0 0.715 0.513 0.408 0.000 -0.113 0.000 3/22680 140.0 0.660 0.474 0.378 0.000 -0.104 0.000 3/22680 150.0 0.614 0.440 0.352 0.000 -0.097 0.000 3/22680 160.0 0.573 0.411 0.329 0.000 -0.090 0.000 3/22680 170.0 0.538 0.386 0.310 0.000 -0.085 0.000 3/22680 180.0 0.508 0.364 0.292 0.000 -0.080 0.000 3/22680 190.0 0.480 0.345 0.277 0.000 -0.076 0.000 3/22680 200.0 0.456 0.327 0.263 0.000 -0.072 0.000 3/22680 210.0 0.435 0.311 0.251 0.000 -0.068 0.000 3/22680 220.0 0.415 0.297 0.240 0.000 -0.065 0.000 3/22680 230.0 0.397 0.285 0.231 0.000 -0.062 0.000 3/22680 240.0 0.381 0.273 0.222 0.000 -0.059 0.000 3/22680 250.0 0.367 0.262 0.214 0.000 -0.057 0.000 3/22680 260.0 0.354 0.253 0.207 0.000 -0.055 0.000 3/22680 270.0 0.341 0.244 0.201 0.000 -0.053 0.000 3/22680 280.0 0.330 0.236 0.195 0.000 -0.051 0.000 3/22680 290.0 0.320 0.229 0.190 0.000 -0.049 0.000 3/22680 300.0 0.311 0.222 0.186 0.000 -0.047 0.000 3/22680 310.0 0.302 0.216 0.182 0.000 -0.046 0.000 3/22680 320.0 0.294 0.210 0.178 0.000 -0.044 0.000 3/22680 330.0 0.287 0.204 0.175 0.000 -0.043 0.000 3/22680 340.0 0.280 0.200 0.172 0.000 -0.042 0.000 3/22680 350.0 0.274 0.195 0.170 0.000 -0.041 0.000 3/22680 360.0 0.268 0.191 0.167 0.000 -0.040 0.000 3/22680 370.0 0.263 0.187 0.165 0.000 -0.038 0.000 3/22680 380.0 0.257 0.183 0.163 0.000 -0.037 0.000 3/22680 390.0 0.253 0.179 0.162 0.000 -0.037 0.000 3/22680 400.0 0.248 0.176 0.160 0.000 -0.036 0.000 3/22680 410.0 0.244 0.173 0.159 0.000 -0.035 0.000 3/22680 420.0 0.240 0.170 0.157 0.000 -0.034 0.000 3/22680 430.0 0.236 0.167 0.156 0.000 -0.033 0.000 3/22680 440.0 0.232 0.164 0.155 0.000 -0.032 0.000 3/22680 450.0 0.229 0.162 0.154 0.000 -0.032 0.000 3/22680 460.0 0.226 0.159 0.153 0.000 -0.031 0.000 3/22680 470.0 0.223 0.157 0.152 0.000 -0.030 0.000 3/22680 480.0 0.220 0.155 0.151 0.000 -0.030 0.000 3/22680 490.0 0.217 0.153 0.150 0.000 -0.029 0.000 3/22680 500.0 0.214 0.151 0.150 0.000 -0.029 0.000 3/22680 510.0 0.212 0.149 0.149 0.000 -0.028 0.000 3/22680 520.0 0.209 0.147 0.148 0.000 -0.028 0.000 3/22680 530.0 0.207 0.145 0.147 0.000 -0.027 0.000 3/22680 540.0 0.204 0.144 0.147 0.000 -0.027 0.000 3/22680 550.0 0.202 0.142 0.146 0.000 -0.026 0.000 3/22680 560.0 0.200 0.140 0.145 0.000 -0.026 0.000 3/22680 570.0 0.198 0.139 0.145 0.000 -0.025 0.000 3/22680 580.0 0.196 0.137 0.144 0.000 -0.025 0.000 3/22680 590.0 0.194 0.136 0.143 0.000 -0.024 0.000 3/22680 600.0 0.192 0.134 0.143 0.000 -0.024 0.000 3/22680 610.0 0.190 0.133 0.142 0.000 -0.024 0.000 3/22680 620.0 0.188 0.132 0.141 0.000 -0.023 0.000 3/22680 630.0 0.186 0.130 0.141 0.000 -0.023 0.000 3/22680 640.0 0.184 0.129 0.140 0.000 -0.023 0.000 3/22680 650.0 0.183 0.128 0.139 0.000 -0.022 0.000 3/22680 660.0 0.181 0.126 0.139 0.000 -0.022 0.000 3/22680 670.0 0.179 0.125 0.138 0.000 -0.022 0.000 3/22680 680.0 0.178 0.124 0.137 0.000 -0.021 0.000 3/22680 690.0 0.176 0.123 0.137 0.000 -0.021 0.000 3/22680 700.0 0.174 0.122 0.136 0.000 -0.021 0.000 3/22680 710.0 0.173 0.121 0.135 0.000 -0.020 0.000 3/22680 720.0 0.171 0.120 0.135 0.000 -0.020 0.000 3/22680 730.0 0.170 0.118 0.134 0.000 -0.020 0.000 3/22680 740.0 0.169 0.117 0.133 0.000 -0.020 0.000 3/22680 750.0 0.167 0.116 0.132 0.000 -0.019 0.000 3/22680 760.0 0.166 0.115 0.132 0.000 -0.019 0.000 3/22680 770.0 0.164 0.114 0.131 0.000 -0.019 0.000 3/22680 780.0 0.163 0.113 0.130 0.000 -0.019 0.000 3/22680 790.0 0.162 0.112 0.130 0.000 -0.019 0.000 3/22680 800.0 0.160 0.111 0.129 0.000 -0.018 0.000 3/22680 810.0 0.159 0.111 0.128 0.000 -0.018 0.000 3/22680 820.0 0.158 0.110 0.128 0.000 -0.018 0.000 3/22680 830.0 0.157 0.109 0.127 0.000 -0.018 0.000 3/22680 840.0 0.155 0.108 0.126 0.000 -0.017 0.000 3/22680 850.0 0.154 0.107 0.125 0.000 -0.017 0.000 3/22680 860.0 0.153 0.106 0.125 0.000 -0.017 0.000 3/22680 870.0 0.152 0.105 0.124 0.000 -0.017 0.000 3/22680 880.0 0.151 0.104 0.123 0.000 -0.017 0.000 3/22680 890.0 0.149 0.104 0.123 0.000 -0.017 0.000 3/22680 900.0 0.148 0.103 0.122 0.000 -0.016 0.000 3/22680 910.0 0.147 0.102 0.121 0.000 -0.016 0.000 3/22680 920.0 0.146 0.101 0.121 0.000 -0.016 0.000 3/22680 930.0 0.145 0.100 0.120 0.000 -0.016 0.000 3/22680 940.0 0.144 0.100 0.119 0.000 -0.016 0.000 3/22680 950.0 0.143 0.099 0.119 0.000 -0.016 0.000 3/22680 960.0 0.142 0.098 0.118 0.000 -0.015 0.000 3/22680 970.0 0.141 0.098 0.117 0.000 -0.015 0.000 3/22680 980.0 0.140 0.097 0.117 0.000 -0.015 0.000 3/22680 990.0 0.139 0.096 0.116 0.000 -0.015 0.000 3/22680 1000.0 0.138 0.095 0.115 0.000 -0.015 0.000 3/22680 Thermal conductivity related properties were written into "kappa-m957.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|