----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:16:18]------------------------- 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 2 1] 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 5.262821040177797 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976510840000000 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): *1 Na 0.50034300720982 0.99930143712656 0.70601663031766 22.990 2 Na 0.50034300720982 0.50069856287344 0.20601663031766 22.990 3 Na 0.49965699279018 0.00069856287344 0.29398336968234 22.990 4 Na 0.49965699279018 0.49930143712656 0.79398336968234 22.990 *5 H 0.89226470355794 0.45808471850786 0.62680986299030 1.008 6 H 0.89226470355794 0.04191528149214 0.12680986299030 1.008 7 H 0.10773529644206 0.54191528149214 0.37319013700970 1.008 8 H 0.10773529644206 0.95808471850786 0.87319013700970 1.008 *9 Se 0.91700811082651 0.72365351424086 0.56102844512052 78.960 10 Se 0.91700811082651 0.77634648575914 0.06102844512052 78.960 11 Se 0.08299188917349 0.27634648575914 0.43897155487948 78.960 12 Se 0.08299188917349 0.22365351424086 0.93897155487948 78.960 *13 O 0.72443880089898 0.88827355216531 0.54579393657310 15.999 14 O 0.72443880089898 0.61172644783469 0.04579393657310 15.999 15 O 0.27556119910102 0.11172644783469 0.45420606342690 15.999 16 O 0.27556119910102 0.38827355216531 0.95420606342690 15.999 *17 O 0.23590874465131 0.74602293597916 0.67404858528576 15.999 18 O 0.23590874465131 0.75397706402084 0.17404858528576 15.999 19 O 0.76409125534869 0.25397706402084 0.32595141471424 15.999 20 O 0.76409125534869 0.24602293597916 0.82595141471424 15.999 *21 O 0.88837496785099 0.65641445733909 0.38724408497601 15.999 22 O 0.88837496785099 0.84358554266091 0.88724408497601 15.999 23 O 0.11162503214901 0.34358554266091 0.61275591502399 15.999 24 O 0.11162503214901 0.15641445733909 0.11275591502399 15.999 *25 O 0.77762591925109 0.56203037553811 0.63633354294238 15.999 26 O 0.77762591925109 0.93796962446189 0.13633354294238 15.999 27 O 0.22237408074891 0.43796962446189 0.36366645705762 15.999 28 O 0.22237408074891 0.06203037553811 0.86366645705762 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.262821040177797 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976510840000000 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): *1 Na 0.50034300720982 0.99930143712656 0.70601663031766 22.990 > 1 2 Na 0.50034300720982 0.50069856287344 0.20601663031766 22.990 > 2 3 Na 0.49965699279018 0.00069856287344 0.29398336968234 22.990 > 3 4 Na 0.49965699279018 0.49930143712656 0.79398336968234 22.990 > 4 *5 H 0.89226470355794 0.45808471850786 0.62680986299030 1.008 > 5 6 H 0.89226470355794 0.04191528149214 0.12680986299030 1.008 > 6 7 H 0.10773529644206 0.54191528149214 0.37319013700970 1.008 > 7 8 H 0.10773529644206 0.95808471850786 0.87319013700970 1.008 > 8 *9 Se 0.91700811082651 0.72365351424086 0.56102844512052 78.960 > 9 10 Se 0.91700811082651 0.77634648575914 0.06102844512052 78.960 > 10 11 Se 0.08299188917349 0.27634648575914 0.43897155487948 78.960 > 11 12 Se 0.08299188917349 0.22365351424086 0.93897155487948 78.960 > 12 *13 O 0.72443880089898 0.88827355216531 0.54579393657310 15.999 > 13 14 O 0.72443880089898 0.61172644783469 0.04579393657310 15.999 > 14 15 O 0.27556119910102 0.11172644783469 0.45420606342690 15.999 > 15 16 O 0.27556119910102 0.38827355216531 0.95420606342690 15.999 > 16 *17 O 0.23590874465131 0.74602293597916 0.67404858528576 15.999 > 17 18 O 0.23590874465131 0.75397706402084 0.17404858528576 15.999 > 18 19 O 0.76409125534869 0.25397706402084 0.32595141471424 15.999 > 19 20 O 0.76409125534869 0.24602293597916 0.82595141471424 15.999 > 20 *21 O 0.88837496785099 0.65641445733909 0.38724408497601 15.999 > 21 22 O 0.88837496785099 0.84358554266091 0.88724408497601 15.999 > 22 23 O 0.11162503214901 0.34358554266091 0.61275591502399 15.999 > 23 24 O 0.11162503214901 0.15641445733909 0.11275591502399 15.999 > 24 *25 O 0.77762591925109 0.56203037553811 0.63633354294238 15.999 > 25 26 O 0.77762591925109 0.93796962446189 0.13633354294238 15.999 > 26 27 O 0.22237408074891 0.43796962446189 0.36366645705762 15.999 > 27 28 O 0.22237408074891 0.06203037553811 0.86366645705762 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.525642080355594 0.000000000000000 0.000000000000000 b 0.000000000000000 15.953021680000001 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): *1 Na 0.25017150360491 0.49965071856328 0.70601663031766 22.990 > 1 2 Na 0.75017150360491 0.49965071856328 0.70601663031766 22.990 > 1 3 Na 0.25017150360491 0.99965071856328 0.70601663031766 22.990 > 1 4 Na 0.75017150360491 0.99965071856328 0.70601663031766 22.990 > 1 5 Na 0.25017150360491 0.25034928143672 0.20601663031766 22.990 > 2 6 Na 0.75017150360491 0.25034928143672 0.20601663031766 22.990 > 2 7 Na 0.25017150360491 0.75034928143672 0.20601663031766 22.990 > 2 8 Na 0.75017150360491 0.75034928143672 0.20601663031766 22.990 > 2 9 Na 0.24982849639509 0.00034928143672 0.29398336968234 22.990 > 3 10 Na 0.74982849639509 0.00034928143672 0.29398336968234 22.990 > 3 11 Na 0.24982849639509 0.50034928143672 0.29398336968234 22.990 > 3 12 Na 0.74982849639509 0.50034928143672 0.29398336968234 22.990 > 3 13 Na 0.24982849639509 0.24965071856328 0.79398336968234 22.990 > 4 14 Na 0.74982849639509 0.24965071856328 0.79398336968234 22.990 > 4 15 Na 0.24982849639509 0.74965071856328 0.79398336968234 22.990 > 4 16 Na 0.74982849639509 0.74965071856328 0.79398336968234 22.990 > 4 *17 H 0.44613235177897 0.22904235925393 0.62680986299030 1.008 > 5 18 H 0.94613235177897 0.22904235925393 0.62680986299030 1.008 > 5 19 H 0.44613235177897 0.72904235925393 0.62680986299030 1.008 > 5 20 H 0.94613235177897 0.72904235925393 0.62680986299030 1.008 > 5 21 H 0.44613235177897 0.02095764074607 0.12680986299030 1.008 > 6 22 H 0.94613235177897 0.02095764074607 0.12680986299030 1.008 > 6 23 H 0.44613235177897 0.52095764074607 0.12680986299030 1.008 > 6 24 H 0.94613235177897 0.52095764074607 0.12680986299030 1.008 > 6 25 H 0.05386764822103 0.27095764074607 0.37319013700970 1.008 > 7 26 H 0.55386764822103 0.27095764074607 0.37319013700970 1.008 > 7 27 H 0.05386764822103 0.77095764074607 0.37319013700970 1.008 > 7 28 H 0.55386764822103 0.77095764074607 0.37319013700970 1.008 > 7 29 H 0.05386764822103 0.47904235925393 0.87319013700970 1.008 > 8 30 H 0.55386764822103 0.47904235925393 0.87319013700970 1.008 > 8 31 H 0.05386764822103 0.97904235925393 0.87319013700970 1.008 > 8 32 H 0.55386764822103 0.97904235925393 0.87319013700970 1.008 > 8 *33 Se 0.45850405541325 0.36182675712043 0.56102844512052 78.960 > 9 34 Se 0.95850405541325 0.36182675712043 0.56102844512052 78.960 > 9 35 Se 0.45850405541325 0.86182675712043 0.56102844512052 78.960 > 9 36 Se 0.95850405541325 0.86182675712043 0.56102844512052 78.960 > 9 37 Se 0.45850405541325 0.38817324287957 0.06102844512052 78.960 > 10 38 Se 0.95850405541325 0.38817324287957 0.06102844512052 78.960 > 10 39 Se 0.45850405541325 0.88817324287957 0.06102844512052 78.960 > 10 40 Se 0.95850405541325 0.88817324287957 0.06102844512052 78.960 > 10 41 Se 0.04149594458675 0.13817324287957 0.43897155487948 78.960 > 11 42 Se 0.54149594458675 0.13817324287957 0.43897155487948 78.960 > 11 43 Se 0.04149594458675 0.63817324287957 0.43897155487948 78.960 > 11 44 Se 0.54149594458675 0.63817324287957 0.43897155487948 78.960 > 11 45 Se 0.04149594458675 0.11182675712043 0.93897155487948 78.960 > 12 46 Se 0.54149594458675 0.11182675712043 0.93897155487948 78.960 > 12 47 Se 0.04149594458675 0.61182675712043 0.93897155487948 78.960 > 12 48 Se 0.54149594458675 0.61182675712043 0.93897155487948 78.960 > 12 *49 O 0.36221940044949 0.44413677608266 0.54579393657310 15.999 > 13 50 O 0.86221940044949 0.44413677608266 0.54579393657310 15.999 > 13 51 O 0.36221940044949 0.94413677608266 0.54579393657310 15.999 > 13 52 O 0.86221940044949 0.94413677608266 0.54579393657310 15.999 > 13 53 O 0.36221940044949 0.30586322391734 0.04579393657310 15.999 > 14 54 O 0.86221940044949 0.30586322391734 0.04579393657310 15.999 > 14 55 O 0.36221940044949 0.80586322391734 0.04579393657310 15.999 > 14 56 O 0.86221940044949 0.80586322391734 0.04579393657310 15.999 > 14 57 O 0.13778059955051 0.05586322391734 0.45420606342690 15.999 > 15 58 O 0.63778059955051 0.05586322391734 0.45420606342690 15.999 > 15 59 O 0.13778059955051 0.55586322391734 0.45420606342690 15.999 > 15 60 O 0.63778059955051 0.55586322391734 0.45420606342690 15.999 > 15 61 O 0.13778059955051 0.19413677608266 0.95420606342690 15.999 > 16 62 O 0.63778059955051 0.19413677608266 0.95420606342690 15.999 > 16 63 O 0.13778059955051 0.69413677608266 0.95420606342690 15.999 > 16 64 O 0.63778059955051 0.69413677608266 0.95420606342690 15.999 > 16 *65 O 0.11795437232566 0.37301146798958 0.67404858528576 15.999 > 17 66 O 0.61795437232566 0.37301146798958 0.67404858528576 15.999 > 17 67 O 0.11795437232566 0.87301146798958 0.67404858528576 15.999 > 17 68 O 0.61795437232566 0.87301146798958 0.67404858528576 15.999 > 17 69 O 0.11795437232566 0.37698853201042 0.17404858528576 15.999 > 18 70 O 0.61795437232566 0.37698853201042 0.17404858528576 15.999 > 18 71 O 0.11795437232566 0.87698853201042 0.17404858528576 15.999 > 18 72 O 0.61795437232566 0.87698853201042 0.17404858528576 15.999 > 18 73 O 0.38204562767434 0.12698853201042 0.32595141471424 15.999 > 19 74 O 0.88204562767434 0.12698853201042 0.32595141471424 15.999 > 19 75 O 0.38204562767434 0.62698853201042 0.32595141471424 15.999 > 19 76 O 0.88204562767434 0.62698853201042 0.32595141471424 15.999 > 19 77 O 0.38204562767434 0.12301146798958 0.82595141471424 15.999 > 20 78 O 0.88204562767434 0.12301146798958 0.82595141471424 15.999 > 20 79 O 0.38204562767434 0.62301146798958 0.82595141471424 15.999 > 20 80 O 0.88204562767434 0.62301146798958 0.82595141471424 15.999 > 20 *81 O 0.44418748392549 0.32820722866954 0.38724408497601 15.999 > 21 82 O 0.94418748392549 0.32820722866954 0.38724408497601 15.999 > 21 83 O 0.44418748392549 0.82820722866954 0.38724408497601 15.999 > 21 84 O 0.94418748392549 0.82820722866954 0.38724408497601 15.999 > 21 85 O 0.44418748392549 0.42179277133046 0.88724408497601 15.999 > 22 86 O 0.94418748392549 0.42179277133046 0.88724408497601 15.999 > 22 87 O 0.44418748392549 0.92179277133046 0.88724408497601 15.999 > 22 88 O 0.94418748392549 0.92179277133046 0.88724408497601 15.999 > 22 89 O 0.05581251607451 0.17179277133046 0.61275591502399 15.999 > 23 90 O 0.55581251607451 0.17179277133046 0.61275591502399 15.999 > 23 91 O 0.05581251607451 0.67179277133046 0.61275591502399 15.999 > 23 92 O 0.55581251607451 0.67179277133046 0.61275591502399 15.999 > 23 93 O 0.05581251607451 0.07820722866955 0.11275591502399 15.999 > 24 94 O 0.55581251607451 0.07820722866955 0.11275591502399 15.999 > 24 95 O 0.05581251607451 0.57820722866954 0.11275591502399 15.999 > 24 96 O 0.55581251607451 0.57820722866954 0.11275591502399 15.999 > 24 *97 O 0.38881295962554 0.28101518776906 0.63633354294238 15.999 > 25 98 O 0.88881295962554 0.28101518776906 0.63633354294238 15.999 > 25 99 O 0.38881295962554 0.78101518776906 0.63633354294238 15.999 > 25 100 O 0.88881295962554 0.78101518776906 0.63633354294238 15.999 > 25 101 O 0.38881295962554 0.46898481223094 0.13633354294238 15.999 > 26 102 O 0.88881295962554 0.46898481223094 0.13633354294238 15.999 > 26 103 O 0.38881295962554 0.96898481223094 0.13633354294238 15.999 > 26 104 O 0.88881295962554 0.96898481223094 0.13633354294238 15.999 > 26 105 O 0.11118704037446 0.21898481223094 0.36366645705762 15.999 > 27 106 O 0.61118704037446 0.21898481223094 0.36366645705762 15.999 > 27 107 O 0.11118704037446 0.71898481223094 0.36366645705762 15.999 > 27 108 O 0.61118704037446 0.71898481223094 0.36366645705762 15.999 > 27 109 O 0.11118704037446 0.03101518776906 0.86366645705762 15.999 > 28 110 O 0.61118704037446 0.03101518776906 0.86366645705762 15.999 > 28 111 O 0.11118704037446 0.53101518776906 0.86366645705762 15.999 > 28 112 O 0.61118704037446 0.53101518776906 0.86366645705762 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4724480 0.0000000 -0.0221641 0.0000000 2.6270313 0.0000000 -0.0221649 0.0000000 2.4987698 -------------------------- Born effective charges -------------------------- 1 Na 1.2637078 0.0903071 0.0329147 -0.1369336 1.1486638 -0.0037965 0.1186684 0.0593576 1.1934760 2 Na 1.2637078 -0.0903071 0.0329147 0.1369336 1.1486638 0.0037965 0.1186684 -0.0593576 1.1934760 3 Na 1.2637078 0.0903071 0.0329147 -0.1369336 1.1486638 -0.0037965 0.1186684 0.0593576 1.1934760 4 Na 1.2637078 -0.0903071 0.0329147 0.1369336 1.1486638 0.0037965 0.1186684 -0.0593576 1.1934760 5 H 0.7653962 -0.5554517 -0.0901877 -0.9314109 1.2184229 0.0963079 -0.2927506 0.1900745 0.3500939 6 H 0.7653962 0.5554517 -0.0901877 0.9314109 1.2184229 -0.0963079 -0.2927506 -0.1900745 0.3500939 7 H 0.7653962 -0.5554517 -0.0901877 -0.9314109 1.2184229 0.0963079 -0.2927506 0.1900745 0.3500939 8 H 0.7653962 0.5554517 -0.0901877 0.9314109 1.2184229 -0.0963079 -0.2927506 -0.1900745 0.3500939 9 Se 2.6654271 -0.2905810 -0.1125516 0.0643600 3.3397738 0.2902278 -0.0424614 0.3089233 3.0426095 10 Se 2.6654271 0.2905810 -0.1125516 -0.0643600 3.3397738 -0.2902278 -0.0424614 -0.3089233 3.0426095 11 Se 2.6654271 -0.2905810 -0.1125516 0.0643600 3.3397738 0.2902278 -0.0424614 0.3089233 3.0426095 12 Se 2.6654271 0.2905810 -0.1125516 -0.0643600 3.3397738 -0.2902278 -0.0424614 -0.3089233 3.0426095 13 O -1.1581652 0.4698093 -0.0028300 0.4775419 -1.4338376 0.0140367 0.0128714 -0.0507101 -1.0047169 14 O -1.1581652 -0.4698093 -0.0028300 -0.4775419 -1.4338376 -0.0140367 0.0128714 0.0507101 -1.0047169 15 O -1.1581652 0.4698093 -0.0028300 0.4775419 -1.4338376 0.0140367 0.0128714 -0.0507101 -1.0047169 16 O -1.1581652 -0.4698093 -0.0028300 -0.4775419 -1.4338376 -0.0140367 0.0128714 0.0507101 -1.0047169 17 O -1.3104839 0.0337277 -0.3469342 -0.1372741 -1.0562739 -0.1570503 -0.4144565 -0.1692004 -1.1841071 18 O -1.3104839 -0.0337277 -0.3469342 0.1372741 -1.0562739 0.1570503 -0.4144565 0.1692004 -1.1841071 19 O -1.3104839 0.0337277 -0.3469342 -0.1372741 -1.0562739 -0.1570503 -0.4144565 -0.1692004 -1.1841071 20 O -1.3104839 -0.0337277 -0.3469342 0.1372741 -1.0562739 0.1570503 -0.4144565 0.1692004 -1.1841071 21 O -1.0743408 0.3781714 0.3014783 0.4711101 -1.3211526 -0.3931539 0.2926440 -0.4011515 -1.5464307 22 O -1.0743408 -0.3781714 0.3014783 -0.4711101 -1.3211526 0.3931539 0.2926440 0.4011515 -1.5464307 23 O -1.0743408 0.3781714 0.3014783 0.4711101 -1.3211526 -0.3931539 0.2926440 -0.4011515 -1.5464307 24 O -1.0743408 -0.3781714 0.3014783 -0.4711101 -1.3211526 0.3931539 0.2926440 0.4011515 -1.5464307 25 O -1.1515413 0.0403275 0.2181105 0.0910928 -1.8955964 0.2034597 0.3254847 0.0872191 -0.8509247 26 O -1.1515413 -0.0403275 0.2181105 -0.0910928 -1.8955964 -0.2034597 0.3254847 -0.0872191 -0.8509247 27 O -1.1515413 0.0403275 0.2181105 0.0910928 -1.8955964 0.2034597 0.3254847 0.0872191 -0.8509247 28 O -1.1515413 -0.0403275 0.2181105 -0.0910928 -1.8955964 -0.2034597 0.3254847 -0.0872191 -0.8509247 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.039 Solver_block: 200 / 880 - Time: 0.954 Solver_block: 300 / 880 - Time: 0.948 Solver_block: 400 / 880 - Time: 0.930 Solver_block: 500 / 880 - Time: 0.955 Solver_block: 600 / 880 - Time: 0.951 Solver_block: 700 / 880 - Time: 0.941 Solver_block: 800 / 880 - Time: 0.947 Solver_block: 880 / 880 - Time: 0.774 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.614 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 2026-01-08 21:17:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:17:05]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.262821040177797 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976510840000000 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): 1 Na 0.50034300720982 0.99930143712656 0.70601663031766 22.990 2 Na 0.50034300720982 0.50069856287344 0.20601663031766 22.990 3 Na 0.49965699279018 0.00069856287344 0.29398336968234 22.990 4 Na 0.49965699279018 0.49930143712656 0.79398336968234 22.990 5 H 0.89226470355794 0.45808471850786 0.62680986299030 1.008 6 H 0.89226470355794 0.04191528149214 0.12680986299030 1.008 7 H 0.10773529644206 0.54191528149214 0.37319013700970 1.008 8 H 0.10773529644206 0.95808471850786 0.87319013700970 1.008 9 Se 0.91700811082651 0.72365351424086 0.56102844512052 78.960 10 Se 0.91700811082651 0.77634648575914 0.06102844512052 78.960 11 Se 0.08299188917349 0.27634648575914 0.43897155487948 78.960 12 Se 0.08299188917349 0.22365351424086 0.93897155487948 78.960 13 O 0.72443880089898 0.88827355216531 0.54579393657310 15.999 14 O 0.72443880089898 0.61172644783469 0.04579393657310 15.999 15 O 0.27556119910102 0.11172644783469 0.45420606342690 15.999 16 O 0.27556119910102 0.38827355216531 0.95420606342690 15.999 17 O 0.23590874465131 0.74602293597916 0.67404858528576 15.999 18 O 0.23590874465131 0.75397706402084 0.17404858528576 15.999 19 O 0.76409125534869 0.25397706402084 0.32595141471424 15.999 20 O 0.76409125534869 0.24602293597916 0.82595141471424 15.999 21 O 0.88837496785099 0.65641445733909 0.38724408497601 15.999 22 O 0.88837496785099 0.84358554266091 0.88724408497601 15.999 23 O 0.11162503214901 0.34358554266091 0.61275591502399 15.999 24 O 0.11162503214901 0.15641445733909 0.11275591502399 15.999 25 O 0.77762591925109 0.56203037553811 0.63633354294238 15.999 26 O 0.77762591925109 0.93796962446189 0.13633354294238 15.999 27 O 0.22237408074891 0.43796962446189 0.36366645705762 15.999 28 O 0.22237408074891 0.06203037553811 0.86366645705762 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.525642080355594 0.000000000000000 0.000000000000000 b 0.000000000000000 15.953021680000001 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): 1 Na 0.25017150360491 0.49965071856328 0.70601663031766 22.990 > 1 2 Na 0.75017150360491 0.49965071856328 0.70601663031766 22.990 > 1 3 Na 0.25017150360491 0.99965071856328 0.70601663031766 22.990 > 1 4 Na 0.75017150360491 0.99965071856328 0.70601663031766 22.990 > 1 5 Na 0.25017150360491 0.25034928143672 0.20601663031766 22.990 > 5 6 Na 0.75017150360491 0.25034928143672 0.20601663031766 22.990 > 5 7 Na 0.25017150360491 0.75034928143672 0.20601663031766 22.990 > 5 8 Na 0.75017150360491 0.75034928143672 0.20601663031766 22.990 > 5 9 Na 0.24982849639509 0.00034928143672 0.29398336968234 22.990 > 9 10 Na 0.74982849639509 0.00034928143672 0.29398336968234 22.990 > 9 11 Na 0.24982849639509 0.50034928143672 0.29398336968234 22.990 > 9 12 Na 0.74982849639509 0.50034928143672 0.29398336968234 22.990 > 9 13 Na 0.24982849639509 0.24965071856328 0.79398336968234 22.990 > 13 14 Na 0.74982849639509 0.24965071856328 0.79398336968234 22.990 > 13 15 Na 0.24982849639509 0.74965071856328 0.79398336968234 22.990 > 13 16 Na 0.74982849639509 0.74965071856328 0.79398336968234 22.990 > 13 17 H 0.44613235177897 0.22904235925393 0.62680986299030 1.008 > 17 18 H 0.94613235177897 0.22904235925393 0.62680986299030 1.008 > 17 19 H 0.44613235177897 0.72904235925393 0.62680986299030 1.008 > 17 20 H 0.94613235177897 0.72904235925393 0.62680986299030 1.008 > 17 21 H 0.44613235177897 0.02095764074607 0.12680986299030 1.008 > 21 22 H 0.94613235177897 0.02095764074607 0.12680986299030 1.008 > 21 23 H 0.44613235177897 0.52095764074607 0.12680986299030 1.008 > 21 24 H 0.94613235177897 0.52095764074607 0.12680986299030 1.008 > 21 25 H 0.05386764822103 0.27095764074607 0.37319013700970 1.008 > 25 26 H 0.55386764822103 0.27095764074607 0.37319013700970 1.008 > 25 27 H 0.05386764822103 0.77095764074607 0.37319013700970 1.008 > 25 28 H 0.55386764822103 0.77095764074607 0.37319013700970 1.008 > 25 29 H 0.05386764822103 0.47904235925393 0.87319013700970 1.008 > 29 30 H 0.55386764822103 0.47904235925393 0.87319013700970 1.008 > 29 31 H 0.05386764822103 0.97904235925393 0.87319013700970 1.008 > 29 32 H 0.55386764822103 0.97904235925393 0.87319013700970 1.008 > 29 33 Se 0.45850405541325 0.36182675712043 0.56102844512052 78.960 > 33 34 Se 0.95850405541325 0.36182675712043 0.56102844512052 78.960 > 33 35 Se 0.45850405541325 0.86182675712043 0.56102844512052 78.960 > 33 36 Se 0.95850405541325 0.86182675712043 0.56102844512052 78.960 > 33 37 Se 0.45850405541325 0.38817324287957 0.06102844512052 78.960 > 37 38 Se 0.95850405541325 0.38817324287957 0.06102844512052 78.960 > 37 39 Se 0.45850405541325 0.88817324287957 0.06102844512052 78.960 > 37 40 Se 0.95850405541325 0.88817324287957 0.06102844512052 78.960 > 37 41 Se 0.04149594458675 0.13817324287957 0.43897155487948 78.960 > 41 42 Se 0.54149594458675 0.13817324287957 0.43897155487948 78.960 > 41 43 Se 0.04149594458675 0.63817324287957 0.43897155487948 78.960 > 41 44 Se 0.54149594458675 0.63817324287957 0.43897155487948 78.960 > 41 45 Se 0.04149594458675 0.11182675712043 0.93897155487948 78.960 > 45 46 Se 0.54149594458675 0.11182675712043 0.93897155487948 78.960 > 45 47 Se 0.04149594458675 0.61182675712043 0.93897155487948 78.960 > 45 48 Se 0.54149594458675 0.61182675712043 0.93897155487948 78.960 > 45 49 O 0.36221940044949 0.44413677608266 0.54579393657310 15.999 > 49 50 O 0.86221940044949 0.44413677608266 0.54579393657310 15.999 > 49 51 O 0.36221940044949 0.94413677608266 0.54579393657310 15.999 > 49 52 O 0.86221940044949 0.94413677608266 0.54579393657310 15.999 > 49 53 O 0.36221940044949 0.30586322391734 0.04579393657310 15.999 > 53 54 O 0.86221940044949 0.30586322391734 0.04579393657310 15.999 > 53 55 O 0.36221940044949 0.80586322391734 0.04579393657310 15.999 > 53 56 O 0.86221940044949 0.80586322391734 0.04579393657310 15.999 > 53 57 O 0.13778059955051 0.05586322391734 0.45420606342690 15.999 > 57 58 O 0.63778059955051 0.05586322391734 0.45420606342690 15.999 > 57 59 O 0.13778059955051 0.55586322391734 0.45420606342690 15.999 > 57 60 O 0.63778059955051 0.55586322391734 0.45420606342690 15.999 > 57 61 O 0.13778059955051 0.19413677608266 0.95420606342690 15.999 > 61 62 O 0.63778059955051 0.19413677608266 0.95420606342690 15.999 > 61 63 O 0.13778059955051 0.69413677608266 0.95420606342690 15.999 > 61 64 O 0.63778059955051 0.69413677608266 0.95420606342690 15.999 > 61 65 O 0.11795437232566 0.37301146798958 0.67404858528576 15.999 > 65 66 O 0.61795437232566 0.37301146798958 0.67404858528576 15.999 > 65 67 O 0.11795437232566 0.87301146798958 0.67404858528576 15.999 > 65 68 O 0.61795437232566 0.87301146798958 0.67404858528576 15.999 > 65 69 O 0.11795437232566 0.37698853201042 0.17404858528576 15.999 > 69 70 O 0.61795437232566 0.37698853201042 0.17404858528576 15.999 > 69 71 O 0.11795437232566 0.87698853201042 0.17404858528576 15.999 > 69 72 O 0.61795437232566 0.87698853201042 0.17404858528576 15.999 > 69 73 O 0.38204562767434 0.12698853201042 0.32595141471424 15.999 > 73 74 O 0.88204562767434 0.12698853201042 0.32595141471424 15.999 > 73 75 O 0.38204562767434 0.62698853201042 0.32595141471424 15.999 > 73 76 O 0.88204562767434 0.62698853201042 0.32595141471424 15.999 > 73 77 O 0.38204562767434 0.12301146798958 0.82595141471424 15.999 > 77 78 O 0.88204562767434 0.12301146798958 0.82595141471424 15.999 > 77 79 O 0.38204562767434 0.62301146798958 0.82595141471424 15.999 > 77 80 O 0.88204562767434 0.62301146798958 0.82595141471424 15.999 > 77 81 O 0.44418748392549 0.32820722866954 0.38724408497601 15.999 > 81 82 O 0.94418748392549 0.32820722866954 0.38724408497601 15.999 > 81 83 O 0.44418748392549 0.82820722866954 0.38724408497601 15.999 > 81 84 O 0.94418748392549 0.82820722866954 0.38724408497601 15.999 > 81 85 O 0.44418748392549 0.42179277133046 0.88724408497601 15.999 > 85 86 O 0.94418748392549 0.42179277133046 0.88724408497601 15.999 > 85 87 O 0.44418748392549 0.92179277133046 0.88724408497601 15.999 > 85 88 O 0.94418748392549 0.92179277133046 0.88724408497601 15.999 > 85 89 O 0.05581251607451 0.17179277133046 0.61275591502399 15.999 > 89 90 O 0.55581251607451 0.17179277133046 0.61275591502399 15.999 > 89 91 O 0.05581251607451 0.67179277133046 0.61275591502399 15.999 > 89 92 O 0.55581251607451 0.67179277133046 0.61275591502399 15.999 > 89 93 O 0.05581251607451 0.07820722866955 0.11275591502399 15.999 > 93 94 O 0.55581251607451 0.07820722866955 0.11275591502399 15.999 > 93 95 O 0.05581251607451 0.57820722866954 0.11275591502399 15.999 > 93 96 O 0.55581251607451 0.57820722866954 0.11275591502399 15.999 > 93 97 O 0.38881295962554 0.28101518776906 0.63633354294238 15.999 > 97 98 O 0.88881295962554 0.28101518776906 0.63633354294238 15.999 > 97 99 O 0.38881295962554 0.78101518776906 0.63633354294238 15.999 > 97 100 O 0.88881295962554 0.78101518776906 0.63633354294238 15.999 > 97 101 O 0.38881295962554 0.46898481223094 0.13633354294238 15.999 > 101 102 O 0.88881295962554 0.46898481223094 0.13633354294238 15.999 > 101 103 O 0.38881295962554 0.96898481223094 0.13633354294238 15.999 > 101 104 O 0.88881295962554 0.96898481223094 0.13633354294238 15.999 > 101 105 O 0.11118704037446 0.21898481223094 0.36366645705762 15.999 > 105 106 O 0.61118704037446 0.21898481223094 0.36366645705762 15.999 > 105 107 O 0.11118704037446 0.71898481223094 0.36366645705762 15.999 > 105 108 O 0.61118704037446 0.71898481223094 0.36366645705762 15.999 > 105 109 O 0.11118704037446 0.03101518776906 0.86366645705762 15.999 > 109 110 O 0.61118704037446 0.03101518776906 0.86366645705762 15.999 > 109 111 O 0.11118704037446 0.53101518776906 0.86366645705762 15.999 > 109 112 O 0.61118704037446 0.53101518776906 0.86366645705762 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4724480 0.0000000 -0.0221641 0.0000000 2.6270313 0.0000000 -0.0221649 0.0000000 2.4987698 -------------------------- Born effective charges -------------------------- 1 Na 1.2637078 0.0903071 0.0329147 -0.1369336 1.1486638 -0.0037965 0.1186684 0.0593576 1.1934760 2 Na 1.2637078 -0.0903071 0.0329147 0.1369336 1.1486638 0.0037965 0.1186684 -0.0593576 1.1934760 3 Na 1.2637078 0.0903071 0.0329147 -0.1369336 1.1486638 -0.0037965 0.1186684 0.0593576 1.1934760 4 Na 1.2637078 -0.0903071 0.0329147 0.1369336 1.1486638 0.0037965 0.1186684 -0.0593576 1.1934760 5 H 0.7653962 -0.5554517 -0.0901877 -0.9314109 1.2184229 0.0963079 -0.2927506 0.1900745 0.3500939 6 H 0.7653962 0.5554517 -0.0901877 0.9314109 1.2184229 -0.0963079 -0.2927506 -0.1900745 0.3500939 7 H 0.7653962 -0.5554517 -0.0901877 -0.9314109 1.2184229 0.0963079 -0.2927506 0.1900745 0.3500939 8 H 0.7653962 0.5554517 -0.0901877 0.9314109 1.2184229 -0.0963079 -0.2927506 -0.1900745 0.3500939 9 Se 2.6654271 -0.2905810 -0.1125516 0.0643600 3.3397738 0.2902278 -0.0424614 0.3089233 3.0426095 10 Se 2.6654271 0.2905810 -0.1125516 -0.0643600 3.3397738 -0.2902278 -0.0424614 -0.3089233 3.0426095 11 Se 2.6654271 -0.2905810 -0.1125516 0.0643600 3.3397738 0.2902278 -0.0424614 0.3089233 3.0426095 12 Se 2.6654271 0.2905810 -0.1125516 -0.0643600 3.3397738 -0.2902278 -0.0424614 -0.3089233 3.0426095 13 O -1.1581652 0.4698093 -0.0028300 0.4775419 -1.4338376 0.0140367 0.0128714 -0.0507101 -1.0047169 14 O -1.1581652 -0.4698093 -0.0028300 -0.4775419 -1.4338376 -0.0140367 0.0128714 0.0507101 -1.0047169 15 O -1.1581652 0.4698093 -0.0028300 0.4775419 -1.4338376 0.0140367 0.0128714 -0.0507101 -1.0047169 16 O -1.1581652 -0.4698093 -0.0028300 -0.4775419 -1.4338376 -0.0140367 0.0128714 0.0507101 -1.0047169 17 O -1.3104839 0.0337277 -0.3469342 -0.1372741 -1.0562739 -0.1570503 -0.4144565 -0.1692004 -1.1841071 18 O -1.3104839 -0.0337277 -0.3469342 0.1372741 -1.0562739 0.1570503 -0.4144565 0.1692004 -1.1841071 19 O -1.3104839 0.0337277 -0.3469342 -0.1372741 -1.0562739 -0.1570503 -0.4144565 -0.1692004 -1.1841071 20 O -1.3104839 -0.0337277 -0.3469342 0.1372741 -1.0562739 0.1570503 -0.4144565 0.1692004 -1.1841071 21 O -1.0743408 0.3781714 0.3014783 0.4711101 -1.3211526 -0.3931539 0.2926440 -0.4011515 -1.5464307 22 O -1.0743408 -0.3781714 0.3014783 -0.4711101 -1.3211526 0.3931539 0.2926440 0.4011515 -1.5464307 23 O -1.0743408 0.3781714 0.3014783 0.4711101 -1.3211526 -0.3931539 0.2926440 -0.4011515 -1.5464307 24 O -1.0743408 -0.3781714 0.3014783 -0.4711101 -1.3211526 0.3931539 0.2926440 0.4011515 -1.5464307 25 O -1.1515413 0.0403275 0.2181105 0.0910928 -1.8955964 0.2034597 0.3254847 0.0872191 -0.8509247 26 O -1.1515413 -0.0403275 0.2181105 -0.0910928 -1.8955964 -0.2034597 0.3254847 -0.0872191 -0.8509247 27 O -1.1515413 0.0403275 0.2181105 0.0910928 -1.8955964 0.2034597 0.3254847 0.0872191 -0.8509247 28 O -1.1515413 -0.0403275 0.2181105 -0.0910928 -1.8955964 -0.2034597 0.3254847 -0.0872191 -0.8509247 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 97, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:17:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:17:37]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.262821040177797 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976510840000000 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): 1 Na 0.50034300720982 0.99930143712656 0.70601663031766 22.990 2 Na 0.50034300720982 0.50069856287344 0.20601663031766 22.990 3 Na 0.49965699279018 0.00069856287344 0.29398336968234 22.990 4 Na 0.49965699279018 0.49930143712656 0.79398336968234 22.990 5 H 0.89226470355794 0.45808471850786 0.62680986299030 1.008 6 H 0.89226470355794 0.04191528149214 0.12680986299030 1.008 7 H 0.10773529644206 0.54191528149214 0.37319013700970 1.008 8 H 0.10773529644206 0.95808471850786 0.87319013700970 1.008 9 Se 0.91700811082651 0.72365351424086 0.56102844512052 78.960 10 Se 0.91700811082651 0.77634648575914 0.06102844512052 78.960 11 Se 0.08299188917349 0.27634648575914 0.43897155487948 78.960 12 Se 0.08299188917349 0.22365351424086 0.93897155487948 78.960 13 O 0.72443880089898 0.88827355216531 0.54579393657310 15.999 14 O 0.72443880089898 0.61172644783469 0.04579393657310 15.999 15 O 0.27556119910102 0.11172644783469 0.45420606342690 15.999 16 O 0.27556119910102 0.38827355216531 0.95420606342690 15.999 17 O 0.23590874465131 0.74602293597916 0.67404858528576 15.999 18 O 0.23590874465131 0.75397706402084 0.17404858528576 15.999 19 O 0.76409125534869 0.25397706402084 0.32595141471424 15.999 20 O 0.76409125534869 0.24602293597916 0.82595141471424 15.999 21 O 0.88837496785099 0.65641445733909 0.38724408497601 15.999 22 O 0.88837496785099 0.84358554266091 0.88724408497601 15.999 23 O 0.11162503214901 0.34358554266091 0.61275591502399 15.999 24 O 0.11162503214901 0.15641445733909 0.11275591502399 15.999 25 O 0.77762591925109 0.56203037553811 0.63633354294238 15.999 26 O 0.77762591925109 0.93796962446189 0.13633354294238 15.999 27 O 0.22237408074891 0.43796962446189 0.36366645705762 15.999 28 O 0.22237408074891 0.06203037553811 0.86366645705762 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.525642080355594 0.000000000000000 0.000000000000000 b 0.000000000000000 15.953021680000001 0.000000000000000 c -3.347603366772221 0.000000000000000 8.741360937347583 Atomic positions (fractional): 1 Na 0.25017150360491 0.49965071856328 0.70601663031766 22.990 > 1 2 Na 0.75017150360491 0.49965071856328 0.70601663031766 22.990 > 1 3 Na 0.25017150360491 0.99965071856328 0.70601663031766 22.990 > 1 4 Na 0.75017150360491 0.99965071856328 0.70601663031766 22.990 > 1 5 Na 0.25017150360491 0.25034928143672 0.20601663031766 22.990 > 5 6 Na 0.75017150360491 0.25034928143672 0.20601663031766 22.990 > 5 7 Na 0.25017150360491 0.75034928143672 0.20601663031766 22.990 > 5 8 Na 0.75017150360491 0.75034928143672 0.20601663031766 22.990 > 5 9 Na 0.24982849639509 0.00034928143672 0.29398336968234 22.990 > 9 10 Na 0.74982849639509 0.00034928143672 0.29398336968234 22.990 > 9 11 Na 0.24982849639509 0.50034928143672 0.29398336968234 22.990 > 9 12 Na 0.74982849639509 0.50034928143672 0.29398336968234 22.990 > 9 13 Na 0.24982849639509 0.24965071856328 0.79398336968234 22.990 > 13 14 Na 0.74982849639509 0.24965071856328 0.79398336968234 22.990 > 13 15 Na 0.24982849639509 0.74965071856328 0.79398336968234 22.990 > 13 16 Na 0.74982849639509 0.74965071856328 0.79398336968234 22.990 > 13 17 H 0.44613235177897 0.22904235925393 0.62680986299030 1.008 > 17 18 H 0.94613235177897 0.22904235925393 0.62680986299030 1.008 > 17 19 H 0.44613235177897 0.72904235925393 0.62680986299030 1.008 > 17 20 H 0.94613235177897 0.72904235925393 0.62680986299030 1.008 > 17 21 H 0.44613235177897 0.02095764074607 0.12680986299030 1.008 > 21 22 H 0.94613235177897 0.02095764074607 0.12680986299030 1.008 > 21 23 H 0.44613235177897 0.52095764074607 0.12680986299030 1.008 > 21 24 H 0.94613235177897 0.52095764074607 0.12680986299030 1.008 > 21 25 H 0.05386764822103 0.27095764074607 0.37319013700970 1.008 > 25 26 H 0.55386764822103 0.27095764074607 0.37319013700970 1.008 > 25 27 H 0.05386764822103 0.77095764074607 0.37319013700970 1.008 > 25 28 H 0.55386764822103 0.77095764074607 0.37319013700970 1.008 > 25 29 H 0.05386764822103 0.47904235925393 0.87319013700970 1.008 > 29 30 H 0.55386764822103 0.47904235925393 0.87319013700970 1.008 > 29 31 H 0.05386764822103 0.97904235925393 0.87319013700970 1.008 > 29 32 H 0.55386764822103 0.97904235925393 0.87319013700970 1.008 > 29 33 Se 0.45850405541325 0.36182675712043 0.56102844512052 78.960 > 33 34 Se 0.95850405541325 0.36182675712043 0.56102844512052 78.960 > 33 35 Se 0.45850405541325 0.86182675712043 0.56102844512052 78.960 > 33 36 Se 0.95850405541325 0.86182675712043 0.56102844512052 78.960 > 33 37 Se 0.45850405541325 0.38817324287957 0.06102844512052 78.960 > 37 38 Se 0.95850405541325 0.38817324287957 0.06102844512052 78.960 > 37 39 Se 0.45850405541325 0.88817324287957 0.06102844512052 78.960 > 37 40 Se 0.95850405541325 0.88817324287957 0.06102844512052 78.960 > 37 41 Se 0.04149594458675 0.13817324287957 0.43897155487948 78.960 > 41 42 Se 0.54149594458675 0.13817324287957 0.43897155487948 78.960 > 41 43 Se 0.04149594458675 0.63817324287957 0.43897155487948 78.960 > 41 44 Se 0.54149594458675 0.63817324287957 0.43897155487948 78.960 > 41 45 Se 0.04149594458675 0.11182675712043 0.93897155487948 78.960 > 45 46 Se 0.54149594458675 0.11182675712043 0.93897155487948 78.960 > 45 47 Se 0.04149594458675 0.61182675712043 0.93897155487948 78.960 > 45 48 Se 0.54149594458675 0.61182675712043 0.93897155487948 78.960 > 45 49 O 0.36221940044949 0.44413677608266 0.54579393657310 15.999 > 49 50 O 0.86221940044949 0.44413677608266 0.54579393657310 15.999 > 49 51 O 0.36221940044949 0.94413677608266 0.54579393657310 15.999 > 49 52 O 0.86221940044949 0.94413677608266 0.54579393657310 15.999 > 49 53 O 0.36221940044949 0.30586322391734 0.04579393657310 15.999 > 53 54 O 0.86221940044949 0.30586322391734 0.04579393657310 15.999 > 53 55 O 0.36221940044949 0.80586322391734 0.04579393657310 15.999 > 53 56 O 0.86221940044949 0.80586322391734 0.04579393657310 15.999 > 53 57 O 0.13778059955051 0.05586322391734 0.45420606342690 15.999 > 57 58 O 0.63778059955051 0.05586322391734 0.45420606342690 15.999 > 57 59 O 0.13778059955051 0.55586322391734 0.45420606342690 15.999 > 57 60 O 0.63778059955051 0.55586322391734 0.45420606342690 15.999 > 57 61 O 0.13778059955051 0.19413677608266 0.95420606342690 15.999 > 61 62 O 0.63778059955051 0.19413677608266 0.95420606342690 15.999 > 61 63 O 0.13778059955051 0.69413677608266 0.95420606342690 15.999 > 61 64 O 0.63778059955051 0.69413677608266 0.95420606342690 15.999 > 61 65 O 0.11795437232566 0.37301146798958 0.67404858528576 15.999 > 65 66 O 0.61795437232566 0.37301146798958 0.67404858528576 15.999 > 65 67 O 0.11795437232566 0.87301146798958 0.67404858528576 15.999 > 65 68 O 0.61795437232566 0.87301146798958 0.67404858528576 15.999 > 65 69 O 0.11795437232566 0.37698853201042 0.17404858528576 15.999 > 69 70 O 0.61795437232566 0.37698853201042 0.17404858528576 15.999 > 69 71 O 0.11795437232566 0.87698853201042 0.17404858528576 15.999 > 69 72 O 0.61795437232566 0.87698853201042 0.17404858528576 15.999 > 69 73 O 0.38204562767434 0.12698853201042 0.32595141471424 15.999 > 73 74 O 0.88204562767434 0.12698853201042 0.32595141471424 15.999 > 73 75 O 0.38204562767434 0.62698853201042 0.32595141471424 15.999 > 73 76 O 0.88204562767434 0.62698853201042 0.32595141471424 15.999 > 73 77 O 0.38204562767434 0.12301146798958 0.82595141471424 15.999 > 77 78 O 0.88204562767434 0.12301146798958 0.82595141471424 15.999 > 77 79 O 0.38204562767434 0.62301146798958 0.82595141471424 15.999 > 77 80 O 0.88204562767434 0.62301146798958 0.82595141471424 15.999 > 77 81 O 0.44418748392549 0.32820722866954 0.38724408497601 15.999 > 81 82 O 0.94418748392549 0.32820722866954 0.38724408497601 15.999 > 81 83 O 0.44418748392549 0.82820722866954 0.38724408497601 15.999 > 81 84 O 0.94418748392549 0.82820722866954 0.38724408497601 15.999 > 81 85 O 0.44418748392549 0.42179277133046 0.88724408497601 15.999 > 85 86 O 0.94418748392549 0.42179277133046 0.88724408497601 15.999 > 85 87 O 0.44418748392549 0.92179277133046 0.88724408497601 15.999 > 85 88 O 0.94418748392549 0.92179277133046 0.88724408497601 15.999 > 85 89 O 0.05581251607451 0.17179277133046 0.61275591502399 15.999 > 89 90 O 0.55581251607451 0.17179277133046 0.61275591502399 15.999 > 89 91 O 0.05581251607451 0.67179277133046 0.61275591502399 15.999 > 89 92 O 0.55581251607451 0.67179277133046 0.61275591502399 15.999 > 89 93 O 0.05581251607451 0.07820722866955 0.11275591502399 15.999 > 93 94 O 0.55581251607451 0.07820722866955 0.11275591502399 15.999 > 93 95 O 0.05581251607451 0.57820722866954 0.11275591502399 15.999 > 93 96 O 0.55581251607451 0.57820722866954 0.11275591502399 15.999 > 93 97 O 0.38881295962554 0.28101518776906 0.63633354294238 15.999 > 97 98 O 0.88881295962554 0.28101518776906 0.63633354294238 15.999 > 97 99 O 0.38881295962554 0.78101518776906 0.63633354294238 15.999 > 97 100 O 0.88881295962554 0.78101518776906 0.63633354294238 15.999 > 97 101 O 0.38881295962554 0.46898481223094 0.13633354294238 15.999 > 101 102 O 0.88881295962554 0.46898481223094 0.13633354294238 15.999 > 101 103 O 0.38881295962554 0.96898481223094 0.13633354294238 15.999 > 101 104 O 0.88881295962554 0.96898481223094 0.13633354294238 15.999 > 101 105 O 0.11118704037446 0.21898481223094 0.36366645705762 15.999 > 105 106 O 0.61118704037446 0.21898481223094 0.36366645705762 15.999 > 105 107 O 0.11118704037446 0.71898481223094 0.36366645705762 15.999 > 105 108 O 0.61118704037446 0.71898481223094 0.36366645705762 15.999 > 105 109 O 0.11118704037446 0.03101518776906 0.86366645705762 15.999 > 109 110 O 0.61118704037446 0.03101518776906 0.86366645705762 15.999 > 109 111 O 0.11118704037446 0.53101518776906 0.86366645705762 15.999 > 109 112 O 0.61118704037446 0.53101518776906 0.86366645705762 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4724480 0.0000000 -0.0221641 0.0000000 2.6270313 0.0000000 -0.0221649 0.0000000 2.4987698 -------------------------- Born effective charges -------------------------- 1 Na 1.2637078 0.0903071 0.0329147 -0.1369336 1.1486638 -0.0037965 0.1186684 0.0593576 1.1934760 2 Na 1.2637078 -0.0903071 0.0329147 0.1369336 1.1486638 0.0037965 0.1186684 -0.0593576 1.1934760 3 Na 1.2637078 0.0903071 0.0329147 -0.1369336 1.1486638 -0.0037965 0.1186684 0.0593576 1.1934760 4 Na 1.2637078 -0.0903071 0.0329147 0.1369336 1.1486638 0.0037965 0.1186684 -0.0593576 1.1934760 5 H 0.7653962 -0.5554517 -0.0901877 -0.9314109 1.2184229 0.0963079 -0.2927506 0.1900745 0.3500939 6 H 0.7653962 0.5554517 -0.0901877 0.9314109 1.2184229 -0.0963079 -0.2927506 -0.1900745 0.3500939 7 H 0.7653962 -0.5554517 -0.0901877 -0.9314109 1.2184229 0.0963079 -0.2927506 0.1900745 0.3500939 8 H 0.7653962 0.5554517 -0.0901877 0.9314109 1.2184229 -0.0963079 -0.2927506 -0.1900745 0.3500939 9 Se 2.6654271 -0.2905810 -0.1125516 0.0643600 3.3397738 0.2902278 -0.0424614 0.3089233 3.0426095 10 Se 2.6654271 0.2905810 -0.1125516 -0.0643600 3.3397738 -0.2902278 -0.0424614 -0.3089233 3.0426095 11 Se 2.6654271 -0.2905810 -0.1125516 0.0643600 3.3397738 0.2902278 -0.0424614 0.3089233 3.0426095 12 Se 2.6654271 0.2905810 -0.1125516 -0.0643600 3.3397738 -0.2902278 -0.0424614 -0.3089233 3.0426095 13 O -1.1581652 0.4698093 -0.0028300 0.4775419 -1.4338376 0.0140367 0.0128714 -0.0507101 -1.0047169 14 O -1.1581652 -0.4698093 -0.0028300 -0.4775419 -1.4338376 -0.0140367 0.0128714 0.0507101 -1.0047169 15 O -1.1581652 0.4698093 -0.0028300 0.4775419 -1.4338376 0.0140367 0.0128714 -0.0507101 -1.0047169 16 O -1.1581652 -0.4698093 -0.0028300 -0.4775419 -1.4338376 -0.0140367 0.0128714 0.0507101 -1.0047169 17 O -1.3104839 0.0337277 -0.3469342 -0.1372741 -1.0562739 -0.1570503 -0.4144565 -0.1692004 -1.1841071 18 O -1.3104839 -0.0337277 -0.3469342 0.1372741 -1.0562739 0.1570503 -0.4144565 0.1692004 -1.1841071 19 O -1.3104839 0.0337277 -0.3469342 -0.1372741 -1.0562739 -0.1570503 -0.4144565 -0.1692004 -1.1841071 20 O -1.3104839 -0.0337277 -0.3469342 0.1372741 -1.0562739 0.1570503 -0.4144565 0.1692004 -1.1841071 21 O -1.0743408 0.3781714 0.3014783 0.4711101 -1.3211526 -0.3931539 0.2926440 -0.4011515 -1.5464307 22 O -1.0743408 -0.3781714 0.3014783 -0.4711101 -1.3211526 0.3931539 0.2926440 0.4011515 -1.5464307 23 O -1.0743408 0.3781714 0.3014783 0.4711101 -1.3211526 -0.3931539 0.2926440 -0.4011515 -1.5464307 24 O -1.0743408 -0.3781714 0.3014783 -0.4711101 -1.3211526 0.3931539 0.2926440 0.4011515 -1.5464307 25 O -1.1515413 0.0403275 0.2181105 0.0910928 -1.8955964 0.2034597 0.3254847 0.0872191 -0.8509247 26 O -1.1515413 -0.0403275 0.2181105 -0.0910928 -1.8955964 -0.2034597 0.3254847 -0.0872191 -0.8509247 27 O -1.1515413 0.0403275 0.2181105 0.0910928 -1.8955964 0.2034597 0.3254847 0.0872191 -0.8509247 28 O -1.1515413 -0.0403275 0.2181105 -0.0910928 -1.8955964 -0.2034597 0.3254847 -0.0872191 -0.8509247 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (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 ... [ 10 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 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 1.799 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.101 ( 0.000 0.000 0.000) 0.000 13.192 ( 0.000 0.000 0.000) 0.000 20.073 ( 0.000 0.000 0.000) 0.000 20.224 ( 0.000 0.000 0.000) 0.000 20.369 ( 0.000 0.000 0.000) 0.000 20.439 ( 0.000 0.000 0.000) 0.000 23.779 ( 0.000 0.000 0.000) 0.000 23.942 ( 0.000 0.000 0.000) 0.000 24.500 ( 0.000 0.000 0.000) 0.000 25.123 ( 0.000 0.000 0.000) 0.000 25.922 ( 0.000 0.000 0.000) 0.000 26.101 ( 0.000 0.000 0.000) 0.000 26.180 ( 0.000 0.000 0.000) 0.000 26.629 ( 0.000 0.000 0.000) 0.000 27.079 ( 0.000 0.000 0.000) 0.000 27.314 ( 0.000 0.000 0.000) 0.000 27.376 ( 0.000 0.000 0.000) 0.000 27.670 ( 0.000 0.000 0.000) 0.000 28.171 ( 0.000 0.000 0.000) 0.000 28.358 ( 0.000 0.000 0.000) 0.000 28.458 ( 0.000 0.000 0.000) 0.000 28.650 ( 0.000 0.000 0.000) 0.000 38.690 ( 0.000 0.000 0.000) 0.000 38.743 ( 0.000 0.000 0.000) 0.000 39.217 ( 0.000 0.000 0.000) 0.000 39.459 ( 0.000 0.000 0.000) 0.000 73.221 ( 0.000 0.000 0.000) 0.000 73.575 ( 0.000 0.000 0.000) 0.000 75.547 ( 0.000 0.000 0.000) 0.000 77.020 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 21.858 0.000 -0.873) 21.875 0.526 ( 21.082 0.000 14.303) 25.476 0.774 ( 34.529 0.000 13.803) 37.186 1.837 ( 3.830 0.000 -0.223) 3.836 1.932 ( 0.831 0.000 4.472) 4.548 2.132 ( 0.482 0.000 -1.362) 1.444 2.196 ( -1.448 0.000 -8.432) 8.556 2.470 ( -2.668 0.000 -4.359) 5.111 2.486 ( -2.425 0.000 0.882) 2.580 2.709 ( -1.147 0.000 0.572) 1.282 2.796 ( -7.221 0.000 -3.386) 7.975 2.819 ( -4.787 0.000 1.597) 5.046 3.127 ( 1.184 0.000 2.562) 2.822 3.156 ( 5.087 0.000 4.317) 6.672 3.308 ( 3.274 0.000 -4.439) 5.515 3.577 ( 0.299 0.000 -0.131) 0.326 3.692 ( 0.567 0.000 -5.605) 5.633 3.905 ( -7.741 0.000 5.107) 9.274 3.943 ( 7.406 0.000 3.252) 8.089 4.151 ( -7.294 0.000 -8.930) 11.530 4.472 ( 6.930 0.000 -2.610) 7.405 4.654 ( 2.155 0.000 -2.639) 3.407 4.679 ( -0.623 0.000 1.361) 1.497 4.927 ( 5.345 0.000 3.548) 6.416 4.993 ( -4.801 0.000 1.427) 5.009 5.102 ( -6.113 0.000 -3.656) 7.123 5.183 ( -3.039 0.000 -3.076) 4.324 5.303 ( 2.095 0.000 4.135) 4.636 5.591 ( -3.893 0.000 -1.597) 4.208 5.667 ( 3.741 0.000 -0.581) 3.786 5.914 ( 7.437 0.000 -6.635) 9.967 6.008 ( -3.211 0.000 -1.410) 3.507 6.250 ( -3.824 0.000 2.129) 4.377 6.686 ( -11.216 0.000 17.330) 20.643 7.347 ( -4.207 0.000 1.959) 4.641 7.436 ( -6.277 0.000 -0.051) 6.277 9.053 ( 0.485 0.000 -1.289) 1.377 9.149 ( -2.212 0.000 -0.640) 2.303 9.178 ( -2.434 0.000 1.130) 2.683 9.297 ( 2.344 0.000 1.273) 2.668 9.308 ( -1.644 0.000 2.786) 3.235 9.418 ( 1.842 0.000 -2.582) 3.172 9.801 ( -3.037 0.000 6.038) 6.758 9.989 ( -1.001 0.000 1.143) 1.519 10.132 ( 0.952 0.000 -0.724) 1.196 10.419 ( 2.542 0.000 -0.672) 2.629 10.874 ( 8.716 0.000 -24.748) 26.238 10.968 ( 0.679 0.000 0.204) 0.709 11.188 ( 1.426 0.000 0.071) 1.428 11.231 ( 0.506 0.000 1.828) 1.897 11.246 ( -1.833 0.000 2.029) 2.734 11.604 ( 0.506 0.000 0.994) 1.115 13.038 ( 1.611 0.000 -0.931) 1.861 13.069 ( -3.034 0.000 2.462) 3.907 13.173 ( -1.311 0.000 10.125) 10.210 13.197 ( 0.714 0.000 -0.480) 0.861 20.065 ( -0.426 0.000 -1.060) 1.142 20.232 ( -0.148 0.000 2.576) 2.581 20.384 ( 2.129 0.000 -1.589) 2.656 20.527 ( 3.405 0.000 -7.486) 8.224 23.778 ( -0.040 0.000 -0.098) 0.106 23.932 ( -0.905 0.000 -0.073) 0.908 24.535 ( 5.532 0.000 -14.273) 15.308 25.147 ( 1.777 0.000 1.635) 2.415 26.020 ( -2.293 0.000 5.199) 5.682 26.092 ( -1.657 0.000 1.388) 2.161 26.208 ( 0.874 0.000 4.305) 4.393 26.604 ( -1.613 0.000 -2.078) 2.631 27.320 ( 1.326 0.000 -1.662) 2.126 27.361 ( -0.223 0.000 -1.913) 1.926 27.480 ( 6.406 0.000 -12.303) 13.870 27.663 ( -0.914 0.000 0.517) 1.051 28.171 ( -0.029 0.000 -0.019) 0.034 28.345 ( -0.829 0.000 -1.283) 1.528 28.625 ( -2.320 0.000 -0.596) 2.395 29.095 ( -14.853 0.000 36.466) 39.375 38.765 ( 1.947 0.000 0.712) 2.073 38.925 ( 9.846 0.000 -25.138) 26.997 39.221 ( 0.734 0.000 -0.775) 1.068 39.470 ( 0.783 0.000 0.948) 1.230 73.224 ( 1.207 0.000 -2.345) 2.637 73.566 ( -2.318 0.000 3.771) 4.427 75.600 ( 5.355 0.000 -0.147) 5.357 77.591 ( 10.521 0.000 -48.564) 49.690 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 21.576 0.000 -0.795) 21.590 0.986 ( 16.625 0.000 11.789) 20.381 1.490 ( 29.898 0.000 12.338) 32.344 1.932 ( 5.761 0.000 0.533) 5.786 1.946 ( -2.918 0.000 1.919) 3.492 2.147 ( 4.063 0.000 -6.573) 7.727 2.153 ( 1.655 0.000 1.297) 2.103 2.296 ( -7.436 0.000 -14.662) 16.440 2.424 ( -4.343 0.000 0.035) 4.343 2.582 ( -7.849 0.000 -0.244) 7.853 2.743 ( -4.700 0.000 3.940) 6.133 2.780 ( 1.978 0.000 0.012) 1.978 3.191 ( 1.797 0.000 1.261) 2.195 3.258 ( 2.214 0.000 5.090) 5.551 3.303 ( 0.580 0.000 -1.058) 1.206 3.580 ( -4.255 0.000 -0.758) 4.322 3.727 ( 7.229 0.000 -6.719) 9.869 3.739 ( -8.135 0.000 2.056) 8.391 3.963 ( -5.590 0.000 -4.237) 7.015 4.088 ( 3.985 0.000 4.736) 6.189 4.607 ( 9.438 0.000 -5.622) 10.985 4.653 ( -3.355 0.000 0.032) 3.356 4.684 ( 3.082 0.000 -2.901) 4.232 4.886 ( -9.595 0.000 6.791) 11.755 4.987 ( -3.721 0.000 1.310) 3.945 5.060 ( 2.548 0.000 2.023) 3.253 5.088 ( -0.426 0.000 -3.725) 3.749 5.364 ( 0.823 0.000 4.252) 4.331 5.474 ( -5.786 0.000 -3.423) 6.723 5.730 ( 2.919 0.000 -1.995) 3.535 5.920 ( -3.894 0.000 -1.783) 4.282 6.017 ( 8.085 0.000 -7.088) 10.752 6.172 ( -6.057 0.000 3.160) 6.832 6.568 ( -9.969 0.000 6.787) 12.060 7.262 ( -6.433 0.000 3.340) 7.248 7.278 ( -8.912 0.000 -2.111) 9.158 9.049 ( 0.342 0.000 -1.965) 1.994 9.092 ( -2.783 0.000 -0.975) 2.949 9.153 ( -1.368 0.000 1.966) 2.395 9.297 ( -0.884 0.000 1.105) 1.415 9.340 ( 0.865 0.000 1.655) 1.868 9.432 ( 2.019 0.000 -4.275) 4.727 9.783 ( -2.038 0.000 2.410) 3.156 9.980 ( -1.059 0.000 2.037) 2.296 10.150 ( 1.671 0.000 -1.279) 2.104 10.476 ( 3.795 0.000 -0.877) 3.895 10.861 ( 3.155 0.000 -9.141) 9.671 10.984 ( 0.789 0.000 -0.190) 0.811 11.224 ( 2.808 0.000 -1.966) 3.428 11.227 ( -2.123 0.000 3.524) 4.114 11.255 ( -0.278 0.000 3.689) 3.699 11.608 ( -1.336 0.000 1.243) 1.825 13.033 ( -2.197 0.000 1.461) 2.638 13.074 ( 2.951 0.000 -1.371) 3.253 13.210 ( 1.043 0.000 -0.711) 1.262 13.221 ( 0.499 0.000 5.038) 5.062 20.043 ( -0.744 0.000 -1.687) 1.844 20.257 ( 0.145 0.000 4.116) 4.118 20.420 ( 2.964 0.000 -2.490) 3.871 20.542 ( 2.068 0.000 -2.830) 3.505 23.776 ( -0.048 0.000 -0.157) 0.164 23.909 ( -1.419 0.000 -0.121) 1.424 24.536 ( 2.142 0.000 -5.305) 5.721 25.203 ( 2.094 0.000 2.822) 3.514 26.020 ( -0.072 0.000 1.037) 1.040 26.054 ( -3.431 0.000 1.338) 3.683 26.258 ( 0.402 0.000 5.174) 5.190 26.547 ( -2.227 0.000 -2.979) 3.720 27.346 ( 2.886 0.000 -2.025) 3.526 27.355 ( 0.804 0.000 -0.994) 1.279 27.509 ( 3.074 0.000 -5.120) 5.972 27.648 ( -1.017 0.000 0.830) 1.313 28.173 ( 0.302 0.000 0.067) 0.309 28.311 ( -1.343 0.000 -2.208) 2.584 28.560 ( -3.542 0.000 -1.227) 3.748 29.071 ( -7.466 0.000 15.520) 17.222 38.820 ( 2.939 0.000 1.085) 3.133 38.931 ( 4.261 0.000 -10.256) 11.106 39.233 ( 1.186 0.000 -1.228) 1.707 39.498 ( 1.052 0.000 1.653) 1.960 73.233 ( 2.045 0.000 -3.873) 4.380 73.547 ( -3.413 0.000 6.211) 7.087 75.730 ( 7.854 0.000 -0.009) 7.854 77.387 ( -4.266 0.000 -21.962) 22.373 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 20.447 0.000 -1.403) 20.495 1.300 ( 8.736 0.000 6.435) 10.850 1.877 ( -0.224 0.000 -1.285) 1.304 2.010 ( -4.844 0.000 -8.292) 9.603 2.016 ( 9.978 0.000 7.056) 12.221 2.076 ( 3.097 0.000 -3.711) 4.834 2.193 ( 1.267 0.000 0.586) 1.396 2.287 ( 14.982 0.000 2.515) 15.192 2.326 ( -5.038 0.000 -1.653) 5.302 2.483 ( -2.648 0.000 1.378) 2.985 2.703 ( -2.635 0.000 4.080) 4.857 2.789 ( -0.545 0.000 -2.146) 2.214 3.163 ( -1.638 0.000 -4.133) 4.446 3.277 ( -13.280 0.000 -2.724) 13.556 3.352 ( -0.348 0.000 0.874) 0.941 3.383 ( 3.983 0.000 7.148) 8.183 3.770 ( 2.022 0.000 4.484) 4.918 3.834 ( 8.414 0.000 -7.440) 11.232 3.876 ( -1.424 0.000 1.162) 1.838 4.148 ( 0.163 0.000 1.502) 1.511 4.550 ( -6.860 0.000 0.856) 6.914 4.692 ( -1.406 0.000 -3.502) 3.773 4.722 ( 6.463 0.000 -6.577) 9.221 4.764 ( -6.636 0.000 3.063) 7.308 4.955 ( -4.115 0.000 7.654) 8.690 4.989 ( 0.661 0.000 -4.721) 4.767 5.209 ( 5.854 0.000 2.671) 6.435 5.329 ( -4.567 0.000 -4.032) 6.092 5.417 ( 0.683 0.000 3.089) 3.163 5.705 ( -3.339 0.000 -3.446) 4.799 5.874 ( -0.375 0.000 -0.454) 0.588 6.086 ( -4.578 0.000 2.544) 5.238 6.107 ( 5.707 0.000 -4.609) 7.336 6.425 ( -8.374 0.000 2.980) 8.888 7.088 ( -8.438 0.000 -3.477) 9.126 7.164 ( -6.224 0.000 3.464) 7.123 9.039 ( 0.106 0.000 -1.922) 1.925 9.040 ( -1.829 0.000 -0.760) 1.981 9.153 ( -0.209 0.000 1.959) 1.970 9.293 ( -0.302 0.000 0.954) 1.001 9.352 ( -0.651 0.000 1.336) 1.486 9.430 ( 1.216 0.000 -4.492) 4.654 9.761 ( -1.520 0.000 1.023) 1.832 9.980 ( -0.637 0.000 2.376) 2.460 10.173 ( 1.651 0.000 -1.441) 2.192 10.541 ( 3.509 0.000 -0.909) 3.624 10.864 ( 1.909 0.000 -3.489) 3.978 10.992 ( 0.398 0.000 -0.741) 0.842 11.225 ( -0.941 0.000 4.636) 4.731 11.257 ( 2.856 0.000 -4.644) 5.452 11.273 ( -1.335 0.000 6.043) 6.188 11.564 ( -3.730 0.000 -0.012) 3.730 13.008 ( -1.464 0.000 1.147) 1.860 13.125 ( 3.190 0.000 -1.046) 3.357 13.224 ( 0.899 0.000 -0.779) 1.190 13.262 ( 0.752 0.000 2.845) 2.942 20.015 ( -0.798 0.000 -1.654) 1.837 20.294 ( 0.451 0.000 4.376) 4.399 20.454 ( 2.548 0.000 -2.722) 3.729 20.562 ( 1.552 0.000 -1.170) 1.944 23.774 ( -0.028 0.000 -0.154) 0.157 23.880 ( -1.369 0.000 -0.131) 1.376 24.539 ( 0.911 0.000 -2.062) 2.254 25.255 ( 0.794 0.000 3.020) 3.122 25.989 ( -3.576 0.000 0.094) 3.577 26.031 ( 0.764 0.000 0.127) 0.774 26.290 ( -0.651 0.000 4.090) 4.142 26.486 ( -1.891 0.000 -2.597) 3.212 27.377 ( 1.739 0.000 -0.133) 1.744 27.394 ( 2.935 0.000 -1.080) 3.128 27.520 ( 1.189 0.000 -2.814) 3.054 27.646 ( 0.367 0.000 1.122) 1.181 28.185 ( 0.815 0.000 0.232) 0.847 28.265 ( -1.628 0.000 -2.480) 2.967 28.483 ( -3.247 0.000 -1.615) 3.627 29.040 ( -4.586 0.000 7.613) 8.888 38.883 ( 2.712 0.000 0.986) 2.885 38.937 ( 2.143 0.000 -4.795) 5.252 39.247 ( 1.181 0.000 -1.194) 1.680 39.529 ( 0.777 0.000 1.772) 1.935 73.244 ( 2.172 0.000 -3.980) 4.534 73.529 ( -3.225 0.000 6.342) 7.115 75.877 ( 7.042 0.000 0.205) 7.044 77.142 ( -7.832 0.000 -11.492) 13.907 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.403 0.000 -1.521) 1.574 1.556 ( 16.867 0.000 -3.209) 17.170 1.856 ( -1.642 0.000 -6.370) 6.578 1.881 ( 0.223 0.000 3.655) 3.662 2.093 ( -0.500 0.000 0.816) 0.957 2.167 ( -1.957 0.000 12.825) 12.973 2.195 ( -7.098 0.000 -2.235) 7.442 2.215 ( 5.662 0.000 -9.561) 11.111 2.482 ( 0.149 0.000 1.922) 1.928 2.612 ( 6.817 0.000 4.005) 7.906 2.740 ( -2.115 0.000 -2.406) 3.203 2.742 ( 8.421 0.000 2.467) 8.775 2.981 ( -10.185 0.000 -5.311) 11.486 3.104 ( -2.240 0.000 -2.305) 3.214 3.430 ( 3.878 0.000 2.053) 4.387 3.526 ( 5.209 0.000 7.591) 9.206 3.747 ( -4.796 0.000 3.512) 5.944 3.872 ( -1.495 0.000 -4.497) 4.739 3.981 ( 7.210 0.000 4.407) 8.450 4.163 ( 4.834 0.000 -6.222) 7.879 4.445 ( -5.139 0.000 3.362) 6.141 4.542 ( -8.017 0.000 -6.981) 10.631 4.662 ( -6.413 0.000 2.585) 6.914 4.783 ( 3.504 0.000 -3.244) 4.775 4.943 ( -1.790 0.000 5.846) 6.114 5.035 ( 4.436 0.000 -1.545) 4.697 5.217 ( -3.989 0.000 -4.057) 5.690 5.329 ( 5.226 0.000 1.265) 5.377 5.466 ( 1.849 0.000 2.737) 3.303 5.596 ( -5.438 0.000 -1.679) 5.691 5.859 ( -0.906 0.000 -0.393) 0.987 6.050 ( -0.821 0.000 0.999) 1.293 6.166 ( 2.963 0.000 -1.857) 3.497 6.309 ( -4.998 0.000 0.948) 5.088 6.929 ( -5.246 0.000 -2.905) 5.997 7.086 ( -3.864 0.000 2.187) 4.440 9.013 ( -0.672 0.000 -0.356) 0.760 9.028 ( 0.009 0.000 -1.190) 1.190 9.169 ( 0.447 0.000 1.261) 1.338 9.298 ( 0.020 0.000 0.889) 0.890 9.340 ( -1.148 0.000 0.652) 1.320 9.417 ( 0.484 0.000 -3.077) 3.115 9.743 ( -0.855 0.000 0.368) 0.931 9.987 ( -0.215 0.000 1.675) 1.689 10.189 ( 0.936 0.000 -0.970) 1.347 10.588 ( 2.000 0.000 -0.690) 2.115 10.878 ( 1.190 0.000 -1.022) 1.569 10.989 ( 0.001 0.000 -0.692) 0.692 11.262 ( 0.230 0.000 -1.088) 1.112 11.263 ( 1.213 0.000 4.834) 4.984 11.294 ( 0.222 0.000 1.832) 1.845 11.475 ( -4.480 0.000 -2.031) 4.919 12.994 ( -0.731 0.000 0.697) 1.010 13.172 ( 2.110 0.000 -0.299) 2.131 13.231 ( 0.393 0.000 -0.710) 0.811 13.289 ( 0.488 0.000 1.290) 1.379 19.992 ( -0.515 0.000 -1.007) 1.131 20.331 ( 0.401 0.000 3.059) 3.085 20.474 ( 1.403 0.000 -2.027) 2.465 20.580 ( 0.892 0.000 -0.411) 0.982 23.773 ( -0.008 0.000 -0.094) 0.095 23.858 ( -0.823 0.000 -0.088) 0.827 24.541 ( 0.329 0.000 -0.642) 0.721 25.275 ( -0.410 0.000 1.906) 1.950 25.934 ( -1.808 0.000 -0.491) 1.874 26.047 ( 0.725 0.000 -0.066) 0.728 26.297 ( -0.875 0.000 2.185) 2.354 26.442 ( -1.033 0.000 -1.452) 1.782 27.410 ( 1.484 0.000 0.195) 1.497 27.428 ( 1.097 0.000 -0.345) 1.150 27.516 ( 0.111 0.000 -1.397) 1.401 27.678 ( 1.694 0.000 1.234) 2.096 28.203 ( 0.811 0.000 0.254) 0.849 28.218 ( -1.427 0.000 -1.836) 2.326 28.423 ( -1.806 0.000 -1.233) 2.186 29.012 ( -2.349 0.000 3.161) 3.939 38.931 ( 1.578 0.000 0.554) 1.672 38.942 ( 0.916 0.000 -1.930) 2.136 39.258 ( 0.727 0.000 -0.720) 1.023 39.551 ( 0.341 0.000 1.140) 1.190 73.255 ( 1.412 0.000 -2.519) 2.888 73.517 ( -1.978 0.000 3.976) 4.440 75.986 ( 4.011 0.000 0.208) 4.016 76.950 ( -5.440 0.000 -5.008) 7.394 ======================= Grid point 5 (6/128) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 -0.000) 0.000 1.828 ( 0.000 0.000 -0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 -0.000) 0.000 2.084 ( -0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 -0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 -0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 -0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 -0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 -0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 -0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 -0.000) 0.000 5.150 ( 0.000 0.000 -0.000) 0.000 5.407 ( 0.000 0.000 -0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 -0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 -0.000) 0.000 10.194 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 -0.000) 0.000 11.259 ( 0.000 0.000 -0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.316 ( -0.000 0.000 -0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 -0.000) 0.000 13.193 ( 0.000 0.000 -0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.299 ( 0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 20.347 ( 0.000 0.000 0.000) 0.000 20.480 ( 0.000 0.000 0.000) 0.000 20.588 ( 0.000 0.000 0.000) 0.000 23.773 ( 0.000 0.000 0.000) 0.000 23.850 ( 0.000 0.000 -0.000) 0.000 24.542 ( 0.000 0.000 -0.000) 0.000 25.276 ( 0.000 0.000 0.000) 0.000 25.915 ( 0.000 0.000 0.000) 0.000 26.054 ( 0.000 0.000 0.000) 0.000 26.295 ( 0.000 0.000 0.000) 0.000 26.427 ( 0.000 0.000 0.000) 0.000 27.426 ( 0.000 0.000 0.000) 0.000 27.436 ( 0.000 0.000 -0.000) 0.000 27.510 ( 0.000 0.000 0.000) 0.000 27.704 ( 0.000 0.000 0.000) 0.000 28.196 ( 0.000 0.000 0.000) 0.000 28.213 ( 0.000 0.000 0.000) 0.000 28.401 ( 0.000 0.000 0.000) 0.000 29.001 ( 0.000 0.000 0.000) 0.000 38.943 ( 0.000 0.000 0.000) 0.000 38.948 ( 0.000 0.000 -0.000) 0.000 39.263 ( 0.000 0.000 -0.000) 0.000 39.558 ( 0.000 0.000 -0.000) 0.000 73.260 ( 0.000 0.000 0.000) 0.000 73.513 ( 0.000 0.000 0.000) 0.000 76.026 ( 0.000 0.000 -0.000) 0.000 76.878 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/128) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 23.241 0.000) 23.241 0.549 ( 0.000 25.622 0.000) 25.622 0.744 ( 0.000 33.607 0.000) 33.607 1.802 ( 0.000 0.226 0.000) 0.226 1.861 ( 0.000 -4.229 0.000) 4.229 2.100 ( 0.000 -4.239 0.000) 4.239 2.181 ( 0.000 -5.116 0.000) 5.116 2.370 ( 0.000 -10.587 0.000) 10.587 2.522 ( 0.000 1.452 0.000) 1.452 2.637 ( 0.000 -6.456 0.000) 6.456 2.857 ( 0.000 -6.990 0.000) 6.990 2.963 ( 0.000 -3.548 0.000) 3.548 3.025 ( 0.000 9.485 0.000) 9.485 3.214 ( 0.000 4.001 0.000) 4.001 3.276 ( 0.000 9.521 0.000) 9.521 3.631 ( 0.000 -6.489 0.000) 6.489 3.752 ( 0.000 0.795 0.000) 0.795 3.874 ( 0.000 5.851 0.000) 5.851 4.099 ( 0.000 8.581 0.000) 8.581 4.143 ( 0.000 -11.066 0.000) 11.066 4.401 ( 0.000 -1.979 0.000) 1.979 4.641 ( 0.000 0.496 0.000) 0.496 4.689 ( 0.000 1.024 0.000) 1.024 4.887 ( 0.000 3.624 0.000) 3.624 4.960 ( 0.000 -6.665 0.000) 6.665 5.137 ( 0.000 2.204 0.000) 2.204 5.298 ( 0.000 4.503 0.000) 4.503 5.413 ( 0.000 -4.690 0.000) 4.690 5.547 ( 0.000 -5.078 0.000) 5.078 5.649 ( 0.000 1.377 0.000) 1.377 5.839 ( 0.000 6.473 0.000) 6.473 5.884 ( 0.000 2.260 0.000) 2.260 6.054 ( 0.000 0.829 0.000) 0.829 6.245 ( 0.000 -3.205 0.000) 3.205 7.399 ( 0.000 -3.466 0.000) 3.466 7.454 ( 0.000 -4.034 0.000) 4.034 9.074 ( 0.000 1.929 0.000) 1.929 9.164 ( 0.000 -0.517 0.000) 0.517 9.192 ( 0.000 -1.642 0.000) 1.642 9.237 ( 0.000 -1.376 0.000) 1.376 9.347 ( 0.000 2.753 0.000) 2.753 9.410 ( 0.000 0.180 0.000) 0.180 9.808 ( 0.000 1.298 0.000) 1.298 10.102 ( 0.000 -2.211 0.000) 2.211 10.352 ( 0.000 -3.008 0.000) 3.008 10.485 ( 0.000 -4.355 0.000) 4.355 10.704 ( 0.000 3.436 0.000) 3.436 10.965 ( 0.000 -3.700 0.000) 3.700 11.248 ( 0.000 6.625 0.000) 6.625 11.309 ( 0.000 6.254 0.000) 6.254 11.593 ( 0.000 0.061 0.000) 0.061 11.727 ( 0.000 -0.577 0.000) 0.577 12.936 ( 0.000 0.816 0.000) 0.816 13.091 ( 0.000 -0.951 0.000) 0.951 13.205 ( 0.000 1.205 0.000) 1.205 13.364 ( 0.000 -1.553 0.000) 1.553 20.078 ( 0.000 0.476 0.000) 0.476 20.279 ( 0.000 -4.905 0.000) 4.905 20.545 ( 0.000 6.280 0.000) 6.280 20.834 ( 0.000 -0.603 0.000) 0.603 23.781 ( 0.000 0.218 0.000) 0.218 23.907 ( 0.000 -2.732 0.000) 2.732 24.578 ( 0.000 6.743 0.000) 6.743 25.132 ( 0.000 -2.434 0.000) 2.434 25.936 ( 0.000 1.283 0.000) 1.283 26.156 ( 0.000 -2.154 0.000) 2.154 26.613 ( 0.000 0.541 0.000) 0.541 26.630 ( 0.000 0.116 0.000) 0.116 27.106 ( 0.000 2.466 0.000) 2.466 27.364 ( 0.000 -1.156 0.000) 1.156 27.681 ( 0.000 0.995 0.000) 0.995 27.863 ( 0.000 -1.838 0.000) 1.838 28.184 ( 0.000 1.164 0.000) 1.164 28.343 ( 0.000 -1.396 0.000) 1.396 28.461 ( 0.000 0.299 0.000) 0.299 28.638 ( 0.000 -2.525 0.000) 2.525 38.699 ( 0.000 0.813 0.000) 0.813 38.768 ( 0.000 -0.239 0.000) 0.239 39.236 ( 0.000 1.790 0.000) 1.790 39.445 ( 0.000 -1.276 0.000) 1.276 73.243 ( 0.000 2.052 0.000) 2.052 73.545 ( 0.000 -2.720 0.000) 2.720 77.146 ( 0.000 11.529 0.000) 11.529 78.360 ( 0.000 -6.344 0.000) 6.344 ======================= Grid point 12 (8/128) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 9.233 10.388 3.722) 14.388 0.642 ( 14.415 17.962 -0.871) 23.048 1.184 ( 22.882 23.597 12.634) 35.214 1.834 ( 3.646 -1.056 -2.161) 4.367 1.892 ( 2.202 -3.447 2.791) 4.952 2.061 ( -3.497 -5.006 2.749) 6.696 2.191 ( 2.296 -3.566 -7.568) 8.675 2.355 ( -2.458 -8.601 1.973) 9.161 2.460 ( -4.188 -0.965 -7.316) 8.485 2.588 ( -3.272 -7.958 2.050) 8.846 2.765 ( -4.571 0.877 -0.249) 4.661 3.012 ( -1.490 7.181 1.810) 7.554 3.074 ( 6.664 -1.543 -0.358) 6.850 3.207 ( -1.228 5.423 1.045) 5.658 3.324 ( 4.242 2.866 -2.712) 5.793 3.603 ( -0.463 -3.225 -3.076) 4.481 3.756 ( -0.898 5.043 2.227) 5.585 3.867 ( -2.954 0.674 4.623) 5.527 3.986 ( -5.720 -1.875 -1.026) 6.107 4.152 ( -0.915 1.978 -4.606) 5.095 4.462 ( 7.294 -1.507 -3.574) 8.261 4.637 ( 0.275 -0.309 -0.510) 0.657 4.701 ( 0.694 0.863 -1.352) 1.747 4.901 ( -0.474 -2.137 1.192) 2.493 4.993 ( 2.815 0.245 3.188) 4.260 5.094 ( -4.939 2.324 2.302) 5.924 5.262 ( -3.966 2.679 -2.627) 5.460 5.348 ( -0.740 2.471 2.611) 3.670 5.600 ( -4.091 1.088 -1.293) 4.426 5.669 ( 1.850 -0.278 -0.317) 1.898 5.899 ( 4.157 -9.881 -2.638) 11.040 5.940 ( 4.218 -0.798 -0.593) 4.334 6.125 ( 1.019 -9.836 8.386) 12.966 6.253 ( 1.445 -5.219 1.561) 5.636 7.315 ( -6.842 -3.787 -0.307) 7.826 7.435 ( -3.377 -1.589 1.442) 4.001 9.060 ( -1.223 1.253 0.006) 1.751 9.142 ( -2.204 -0.295 -0.414) 2.262 9.175 ( -1.150 -0.658 0.737) 1.517 9.267 ( 1.528 -2.274 0.634) 2.812 9.346 ( 0.067 2.830 0.169) 2.836 9.417 ( 1.011 -0.020 -1.098) 1.493 9.799 ( -0.914 1.155 0.255) 1.495 10.078 ( -1.967 -1.658 -1.307) 2.885 10.353 ( -4.538 3.974 0.642) 6.066 10.381 ( -1.460 0.738 2.482) 2.972 10.800 ( 7.216 -2.176 -3.814) 8.447 10.975 ( 0.899 -3.713 0.251) 3.829 11.217 ( -5.570 8.299 -5.745) 11.528 11.263 ( 0.602 6.336 1.658) 6.577 11.507 ( -5.867 5.431 -2.706) 8.440 11.665 ( 0.226 4.875 -1.601) 5.136 12.969 ( 1.442 -1.067 2.281) 2.902 13.103 ( 0.280 -0.621 0.802) 1.052 13.194 ( -0.958 1.235 -0.038) 1.563 13.273 ( -3.893 3.197 -0.218) 5.042 20.069 ( -0.590 0.542 -0.778) 1.116 20.268 ( -1.575 -3.847 1.531) 4.430 20.515 ( -2.779 8.981 -0.770) 9.433 20.665 ( -3.947 8.532 -7.057) 11.755 23.777 ( -0.150 0.114 -0.093) 0.210 23.902 ( -0.378 -2.514 -0.580) 2.608 24.589 ( 2.369 5.631 -4.907) 7.835 25.134 ( 0.696 -2.094 0.650) 2.301 25.979 ( 1.738 -0.102 3.886) 4.258 26.126 ( -3.121 -1.173 -0.798) 3.429 26.391 ( -8.977 10.201 -0.145) 13.589 26.607 ( -1.770 0.173 -2.166) 2.803 27.196 ( 4.199 -3.212 -0.565) 5.317 27.363 ( -0.164 -1.428 0.232) 1.456 27.669 ( -2.106 6.184 -6.241) 9.034 27.685 ( -0.225 4.239 -5.470) 6.924 28.176 ( 0.079 0.619 -0.464) 0.778 28.335 ( -0.422 -0.980 -1.760) 2.058 28.595 ( -1.728 -2.638 0.595) 3.209 28.812 ( 3.504 -14.864 25.284) 29.538 38.758 ( 3.023 -0.528 -0.304) 3.084 38.825 ( 7.867 -3.971 -8.566) 12.289 39.241 ( 0.645 1.866 -0.351) 2.005 39.457 ( 0.882 -1.281 0.736) 1.720 73.238 ( 0.211 1.894 -1.266) 2.287 73.544 ( -0.963 -2.485 1.735) 3.180 76.629 ( -37.811 44.395 0.190) 58.315 77.797 ( -9.086 12.533 -40.863) 43.697 ======================= Grid point 13 (9/128) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 20.144 -6.825 8.576) 22.933 0.961 ( 18.358 11.458 0.193) 21.641 1.664 ( 17.340 10.151 9.270) 22.128 1.885 ( 1.880 -4.215 0.747) 4.675 1.967 ( 4.468 -0.718 -3.159) 5.518 2.028 ( -2.414 -9.178 6.169) 11.319 2.160 ( 0.014 -0.345 -5.596) 5.607 2.286 ( -1.749 -4.632 -7.066) 8.628 2.330 ( -3.420 -0.107 -4.118) 5.354 2.555 ( -3.059 -3.965 3.547) 6.136 2.722 ( 0.152 3.929 -1.379) 4.167 2.968 ( -3.168 9.923 0.819) 10.449 3.167 ( 0.973 -0.443 2.388) 2.616 3.242 ( 3.425 -0.344 2.949) 4.533 3.333 ( -0.370 1.225 -2.639) 2.933 3.601 ( -0.259 -0.332 -2.439) 2.476 3.689 ( -7.112 -0.698 -0.576) 7.169 3.813 ( 1.165 4.192 1.469) 4.592 3.973 ( 0.935 -0.446 -0.890) 1.366 4.085 ( -2.320 1.485 0.419) 2.786 4.559 ( 2.728 -3.561 -3.672) 5.797 4.663 ( 2.762 -0.444 -2.094) 3.494 4.683 ( 1.223 0.016 -2.512) 2.794 4.851 ( -7.140 -1.141 5.092) 8.843 5.021 ( -3.861 2.781 1.425) 4.967 5.102 ( 4.636 2.944 4.799) 7.293 5.157 ( -3.418 4.999 -4.401) 7.486 5.381 ( 0.983 0.878 3.497) 3.737 5.461 ( -6.455 0.333 -3.450) 7.326 5.694 ( 0.820 -3.347 -1.440) 3.734 5.895 ( -2.113 -3.294 -2.479) 4.633 6.008 ( 5.748 -1.002 -5.864) 8.272 6.127 ( -4.499 -6.063 6.068) 9.686 6.286 ( -1.873 -15.983 3.752) 16.524 7.176 ( -7.094 -3.101 -0.000) 7.743 7.351 ( -6.072 1.518 1.121) 6.359 9.033 ( -1.312 -0.564 -0.599) 1.549 9.087 ( -2.849 -0.201 -0.394) 2.884 9.164 ( -0.690 0.462 1.056) 1.344 9.286 ( 0.233 -1.981 0.545) 2.068 9.356 ( 0.644 2.382 0.381) 2.497 9.426 ( 1.078 -0.394 -2.341) 2.607 9.781 ( -1.240 0.854 0.533) 1.597 10.025 ( -2.309 -0.277 -0.731) 2.438 10.289 ( -2.051 8.918 1.769) 9.320 10.422 ( 3.029 -3.593 -0.488) 4.724 10.877 ( 3.619 -0.309 -3.394) 4.971 11.000 ( 1.560 -2.845 -0.218) 3.252 11.102 ( -2.368 4.000 -2.654) 5.353 11.294 ( 0.461 5.317 2.921) 6.084 11.421 ( -2.669 5.916 -0.269) 6.496 11.661 ( -1.031 3.954 0.141) 4.089 13.001 ( 0.085 -1.147 1.937) 2.252 13.101 ( 0.743 1.005 -1.383) 1.864 13.203 ( 0.843 -0.358 2.174) 2.359 13.244 ( -0.017 1.377 -0.375) 1.427 20.047 ( -0.792 0.601 -1.324) 1.656 20.254 ( -1.215 -2.717 2.497) 3.885 20.481 ( 0.772 7.186 -2.384) 7.611 20.620 ( 0.535 5.329 -2.104) 5.754 23.776 ( 0.029 0.042 -0.139) 0.148 23.886 ( -0.850 -1.941 -0.460) 2.168 24.591 ( 1.073 5.078 -3.166) 6.079 25.168 ( 1.362 -3.416 2.193) 4.281 26.022 ( 0.009 0.163 1.283) 1.293 26.052 ( -3.315 -0.224 0.657) 3.387 26.323 ( -1.817 5.180 3.278) 6.393 26.546 ( -2.432 -0.125 -2.790) 3.703 27.246 ( 2.525 -3.731 -1.252) 4.676 27.365 ( 0.166 -2.154 0.296) 2.181 27.616 ( 1.538 7.349 -6.185) 9.727 27.681 ( 0.192 2.761 0.335) 2.787 28.178 ( 0.447 0.541 -0.219) 0.735 28.306 ( -0.854 -0.509 -2.639) 2.820 28.545 ( -3.247 -1.256 -0.246) 3.490 28.943 ( -2.786 -10.179 14.377) 17.835 38.814 ( 2.779 -0.503 0.808) 2.937 38.886 ( 4.658 -3.251 -6.988) 9.006 39.255 ( 1.205 2.071 -0.822) 2.533 39.485 ( 1.130 -1.284 1.381) 2.198 73.239 ( 1.330 1.294 -2.357) 3.000 73.533 ( -2.288 -1.799 3.932) 4.892 76.187 ( -9.615 33.982 -2.208) 35.385 77.440 ( -8.640 3.735 -20.214) 22.298 ======================= Grid point 14 (10/128) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 15.143 -3.926 3.872) 16.116 1.311 ( 16.911 6.800 1.756) 18.311 1.834 ( 0.989 -3.442 -7.921) 8.693 1.929 ( 1.184 -2.548 4.836) 5.593 2.023 ( -1.543 -11.607 1.579) 11.815 2.055 ( 3.953 -1.612 0.854) 4.354 2.175 ( 0.923 -0.500 -7.001) 7.079 2.239 ( 6.183 3.365 3.763) 7.982 2.304 ( -0.101 -0.798 0.895) 1.203 2.544 ( 0.616 -0.009 2.827) 2.893 2.710 ( -0.139 5.107 -3.356) 6.113 2.920 ( -2.789 9.159 2.116) 9.806 3.157 ( -2.351 1.111 -1.260) 2.889 3.262 ( -6.311 -1.535 -0.851) 6.550 3.352 ( 3.552 0.413 0.872) 3.680 3.470 ( -2.835 5.514 2.199) 6.579 3.692 ( 2.290 -5.139 -2.131) 6.016 3.901 ( 6.189 4.350 1.076) 7.641 3.941 ( -2.322 5.110 0.185) 5.616 4.099 ( 1.661 -4.770 1.109) 5.171 4.502 ( -4.774 -3.411 -1.662) 6.098 4.649 ( -0.261 -3.877 -1.682) 4.234 4.724 ( -5.154 -2.237 3.535) 6.639 4.755 ( -1.053 2.702 -3.820) 4.796 4.960 ( -3.120 1.200 3.309) 4.704 5.061 ( -1.557 4.480 -5.164) 7.011 5.239 ( 5.233 3.359 4.149) 7.475 5.336 ( -3.885 -0.552 -3.226) 5.080 5.436 ( 1.894 2.102 2.747) 3.944 5.661 ( -2.389 -4.008 -3.248) 5.685 5.830 ( -2.606 -3.895 -1.104) 4.814 6.046 ( -1.401 -4.265 1.375) 4.695 6.091 ( 1.154 -1.469 -2.778) 3.348 6.247 ( -4.030 -13.631 3.186) 14.567 7.057 ( -4.751 0.044 -1.199) 4.900 7.236 ( -6.558 3.566 1.426) 7.599 9.003 ( -1.141 -1.943 -1.129) 2.520 9.040 ( -1.883 -0.531 -0.033) 1.957 9.163 ( -0.227 0.579 0.957) 1.142 9.294 ( 0.123 -1.484 1.105) 1.855 9.366 ( 0.172 2.360 -0.083) 2.368 9.421 ( 0.342 -0.417 -2.759) 2.811 9.763 ( -1.026 0.779 0.547) 1.399 9.988 ( -1.330 -0.436 0.230) 1.419 10.281 ( -0.134 7.549 0.688) 7.582 10.475 ( 2.796 -4.530 -0.619) 5.359 10.900 ( 1.457 1.467 -2.233) 3.044 11.019 ( 0.923 1.362 -1.642) 2.325 11.083 ( 0.471 -3.698 0.736) 3.800 11.313 ( -1.241 3.156 4.372) 5.533 11.394 ( -0.079 6.312 -0.104) 6.313 11.616 ( -3.438 3.787 -0.698) 5.162 13.003 ( -0.782 0.001 1.457) 1.653 13.127 ( 2.600 0.152 -1.098) 2.827 13.228 ( 0.493 -0.029 0.036) 0.495 13.255 ( 0.827 -0.502 1.152) 1.505 20.022 ( -0.765 0.746 -1.362) 1.731 20.259 ( -0.252 -3.517 2.528) 4.339 20.493 ( 1.740 4.615 -1.767) 5.239 20.624 ( 0.686 4.099 -0.758) 4.225 23.776 ( 0.076 0.171 -0.140) 0.234 23.866 ( -0.869 -1.262 -0.308) 1.563 24.587 ( 0.244 4.450 -1.391) 4.669 25.203 ( 0.324 -4.749 2.543) 5.397 25.979 ( -2.344 -0.205 -1.140) 2.615 26.042 ( -0.464 0.318 1.487) 1.589 26.321 ( -1.199 2.744 2.959) 4.210 26.485 ( -1.938 -0.150 -2.247) 2.972 27.287 ( 2.507 -4.158 -0.617) 4.895 27.371 ( 0.077 -3.439 0.365) 3.459 27.613 ( 1.626 6.568 -3.741) 7.731 27.699 ( 1.367 3.945 0.869) 4.265 28.190 ( 0.827 0.455 -0.061) 0.946 28.267 ( -1.096 0.091 -2.781) 2.990 28.479 ( -3.075 -0.026 -0.502) 3.116 28.963 ( -2.953 -6.812 7.554) 10.592 38.871 ( 2.415 -1.054 0.783) 2.749 38.911 ( 2.329 -2.158 -3.868) 5.004 39.273 ( 1.255 2.356 -0.902) 2.818 39.516 ( 0.862 -1.304 1.529) 2.186 73.252 ( 1.895 1.128 -2.683) 3.473 73.516 ( -2.689 -1.492 4.617) 5.547 76.107 ( 0.087 19.413 -0.933) 19.435 77.149 ( -9.728 0.128 -10.588) 14.379 ======================= Grid point 15 (11/128) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.735 1.816 -0.862) 4.242 1.612 ( 13.962 4.544 -1.283) 14.739 1.805 ( 3.760 -1.866 -5.575) 6.978 1.945 ( -2.298 3.346 2.691) 4.870 2.055 ( 4.005 -4.357 -0.672) 5.956 2.094 ( -2.099 -5.430 7.675) 9.633 2.143 ( -1.930 -2.943 -0.448) 3.548 2.264 ( -0.249 1.973 -5.232) 5.597 2.388 ( 1.867 -5.254 3.691) 6.686 2.610 ( 1.961 -5.559 0.037) 5.895 2.714 ( 3.380 7.044 1.513) 7.958 2.905 ( 0.480 8.757 0.709) 8.798 3.038 ( -7.085 4.230 -3.282) 8.880 3.121 ( -3.526 2.104 -3.032) 5.104 3.427 ( 2.866 -0.066 1.019) 3.043 3.540 ( 2.769 0.587 5.995) 6.630 3.688 ( -0.290 -5.267 -0.423) 5.292 3.901 ( -2.709 3.969 -0.151) 4.807 4.034 ( 4.487 2.707 3.555) 6.332 4.149 ( 6.155 -1.575 -5.252) 8.243 4.403 ( -5.008 -2.613 0.770) 5.701 4.571 ( -5.323 -0.549 -2.915) 6.094 4.653 ( -7.659 0.265 1.494) 7.808 4.679 ( 0.180 -6.050 0.363) 6.063 4.942 ( -1.256 -0.687 1.331) 1.955 5.069 ( 4.152 3.355 -2.099) 5.736 5.241 ( -3.533 1.024 -2.746) 4.590 5.359 ( 4.851 2.654 2.094) 5.913 5.488 ( 1.378 1.941 2.012) 3.117 5.580 ( -3.444 -1.538 -2.557) 4.556 5.782 ( -2.021 -6.651 -0.089) 6.952 6.010 ( -1.944 -3.080 0.974) 3.770 6.106 ( 0.944 -7.468 -1.880) 7.758 6.203 ( -1.936 -7.025 1.307) 7.403 6.983 ( -1.865 4.807 -1.793) 5.459 7.137 ( -4.607 3.841 1.495) 6.181 8.980 ( -0.389 -2.340 -0.829) 2.513 9.013 ( -1.016 -1.389 0.035) 1.721 9.168 ( 0.087 -0.062 0.615) 0.624 9.308 ( 0.230 -1.621 1.743) 2.391 9.363 ( -0.014 3.325 -0.893) 3.443 9.402 ( -0.324 -0.211 -1.968) 2.006 9.751 ( -0.554 1.003 0.316) 1.189 9.975 ( -0.485 -1.091 0.497) 1.293 10.285 ( 0.143 6.829 0.199) 6.833 10.514 ( 1.601 -5.156 -0.472) 5.419 10.911 ( 0.881 1.352 -0.670) 1.747 11.014 ( 0.001 1.970 -1.548) 2.505 11.104 ( 0.727 -5.845 0.720) 5.934 11.324 ( -0.499 2.138 4.047) 4.604 11.405 ( 0.887 6.201 0.500) 6.284 11.531 ( -4.032 4.347 -2.187) 6.319 12.999 ( -0.474 0.722 0.834) 1.200 13.171 ( 2.293 -0.264 -0.412) 2.345 13.227 ( -0.307 -0.373 -0.464) 0.669 13.279 ( 0.660 -0.959 0.860) 1.447 20.001 ( -0.486 0.915 -0.849) 1.340 20.275 ( 0.097 -4.546 1.610) 4.824 20.512 ( 1.126 3.656 -0.936) 3.939 20.631 ( 0.396 3.370 -0.283) 3.405 23.776 ( 0.057 0.310 -0.088) 0.327 23.850 ( -0.524 -0.697 -0.159) 0.886 24.582 ( -0.025 3.875 -0.437) 3.899 25.215 ( -0.570 -5.522 1.616) 5.782 25.938 ( -1.146 0.575 -0.750) 1.486 26.043 ( -0.117 -0.483 0.381) 0.626 26.318 ( -0.851 1.882 1.598) 2.611 26.443 ( -1.060 -0.002 -1.183) 1.588 27.327 ( 1.874 -4.540 -0.147) 4.914 27.370 ( -0.412 -4.272 0.299) 4.302 27.615 ( 0.616 6.235 -1.773) 6.511 27.742 ( 2.010 4.476 0.944) 4.997 28.202 ( 0.341 0.040 -0.316) 0.466 28.231 ( -0.662 0.841 -1.634) 1.953 28.429 ( -1.740 0.962 -0.426) 2.033 28.955 ( -1.727 -5.204 3.234) 6.366 38.912 ( 1.352 -1.567 0.486) 2.126 38.922 ( 0.995 -1.709 -1.698) 2.607 39.287 ( 0.782 2.583 -0.562) 2.757 39.537 ( 0.406 -1.294 0.996) 1.683 73.269 ( 1.453 1.364 -1.887) 2.745 73.500 ( -1.905 -1.634 3.155) 4.031 76.124 ( 1.342 12.072 -0.258) 12.149 76.938 ( -6.221 -1.455 -4.603) 7.874 ======================= Grid point 16 (12/128) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 4.493 0.000) 4.493 1.763 ( 0.000 2.827 -0.000) 2.827 1.845 ( 0.000 2.048 0.000) 2.048 1.948 ( 0.000 1.402 -0.000) 1.402 2.034 ( -0.000 -2.870 -0.000) 2.870 2.101 ( 0.000 0.705 0.000) 0.705 2.148 ( 0.000 -3.043 -0.000) 3.043 2.236 ( 0.000 -0.477 0.000) 0.477 2.408 ( 0.000 -6.830 0.000) 6.830 2.618 ( 0.000 -3.189 -0.000) 3.189 2.765 ( 0.000 3.968 0.000) 3.968 2.906 ( 0.000 5.376 -0.000) 5.376 3.009 ( 0.000 9.053 -0.000) 9.053 3.040 ( 0.000 -0.889 0.000) 0.889 3.461 ( 0.000 -1.871 0.000) 1.871 3.576 ( -0.000 -2.412 -0.000) 2.412 3.718 ( 0.000 -6.014 0.000) 6.014 3.845 ( 0.000 8.321 0.000) 8.321 4.086 ( 0.000 -1.462 0.000) 1.462 4.252 ( 0.000 2.853 -0.000) 2.853 4.309 ( -0.000 -2.938 0.000) 2.938 4.529 ( 0.000 6.112 -0.000) 6.112 4.544 ( -0.000 -6.050 0.000) 6.050 4.689 ( 0.000 -7.242 -0.000) 7.242 4.937 ( 0.000 -1.860 0.000) 1.860 5.110 ( 0.000 2.617 0.000) 2.617 5.192 ( 0.000 2.211 -0.000) 2.211 5.436 ( 0.000 2.301 0.000) 2.301 5.505 ( 0.000 -0.342 0.000) 0.342 5.518 ( -0.000 1.795 -0.000) 1.795 5.761 ( 0.000 -7.477 -0.000) 7.477 5.996 ( 0.000 -3.869 -0.000) 3.869 6.102 ( 0.000 -9.847 0.000) 9.847 6.192 ( 0.000 -3.854 0.000) 3.854 6.959 ( 0.000 7.476 0.000) 7.476 7.096 ( 0.000 3.301 0.000) 3.301 8.974 ( 0.000 -2.388 -0.000) 2.388 9.002 ( 0.000 -1.824 0.000) 1.824 9.172 ( 0.000 -0.513 -0.000) 0.513 9.320 ( 0.000 -2.117 -0.000) 2.117 9.359 ( 0.000 4.337 0.000) 4.337 9.389 ( 0.000 -0.124 0.000) 0.124 9.747 ( 0.000 1.152 0.000) 1.152 9.973 ( 0.000 -1.383 -0.000) 1.383 10.287 ( 0.000 6.643 0.000) 6.643 10.527 ( 0.000 -5.368 0.000) 5.368 10.919 ( 0.000 1.365 0.000) 1.365 11.006 ( 0.000 1.333 -0.000) 1.333 11.114 ( 0.000 -6.108 0.000) 6.108 11.341 ( 0.000 2.220 -0.000) 2.220 11.431 ( 0.000 3.516 -0.000) 3.516 11.461 ( 0.000 7.039 0.000) 7.039 12.998 ( 0.000 0.940 -0.000) 0.940 13.199 ( 0.000 0.488 0.000) 0.488 13.215 ( 0.000 -1.475 0.000) 1.475 13.289 ( 0.000 -0.955 -0.000) 0.955 19.993 ( 0.000 0.983 0.000) 0.983 20.282 ( 0.000 -4.976 0.000) 4.976 20.519 ( 0.000 3.450 0.000) 3.450 20.634 ( 0.000 3.097 0.000) 3.097 23.776 ( 0.000 0.365 0.000) 0.365 23.845 ( 0.000 -0.475 -0.000) 0.475 24.580 ( 0.000 3.644 -0.000) 3.644 25.214 ( 0.000 -5.724 0.000) 5.724 25.925 ( 0.000 0.949 0.000) 0.949 26.043 ( 0.000 -0.948 0.000) 0.948 26.315 ( 0.000 1.734 0.000) 1.734 26.429 ( 0.000 0.049 0.000) 0.049 27.348 ( 0.000 -4.681 -0.000) 4.681 27.364 ( 0.000 -4.470 0.000) 4.470 27.614 ( 0.000 6.203 -0.000) 6.203 27.769 ( 0.000 4.432 0.000) 4.432 28.198 ( 0.000 0.210 0.000) 0.210 28.224 ( 0.000 0.771 0.000) 0.771 28.410 ( 0.000 1.365 0.000) 1.365 28.950 ( 0.000 -4.704 0.000) 4.704 38.925 ( 0.000 -1.597 0.000) 1.597 38.927 ( 0.000 -1.767 -0.000) 1.767 39.293 ( 0.000 2.667 -0.000) 2.667 39.545 ( 0.000 -1.282 0.000) 1.282 73.276 ( 0.000 1.548 0.000) 1.548 73.493 ( 0.000 -1.790 0.000) 1.790 76.137 ( 0.000 9.881 -0.000) 9.881 76.860 ( 0.000 -1.904 0.000) 1.904 ======================= Grid point 22 (13/128) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 21.879 0.000) 21.879 1.061 ( 0.000 23.249 0.000) 23.249 1.349 ( 0.000 22.537 0.000) 22.537 1.712 ( 0.000 -9.963 0.000) 9.963 1.798 ( 0.000 -1.258 0.000) 1.258 1.904 ( 0.000 -15.203 0.000) 15.203 2.085 ( 0.000 -3.011 0.000) 3.011 2.178 ( 0.000 -6.301 0.000) 6.301 2.501 ( 0.000 -4.809 0.000) 4.809 2.522 ( 0.000 -1.378 0.000) 1.378 2.787 ( 0.000 0.348 0.000) 0.348 2.906 ( 0.000 -2.441 0.000) 2.441 3.187 ( 0.000 5.677 0.000) 5.677 3.272 ( 0.000 1.298 0.000) 1.298 3.432 ( 0.000 3.480 0.000) 3.480 3.613 ( 0.000 6.438 0.000) 6.438 3.746 ( 0.000 -4.333 0.000) 4.333 3.870 ( 0.000 -11.085 0.000) 11.085 4.030 ( 0.000 8.514 0.000) 8.514 4.266 ( 0.000 7.945 0.000) 7.945 4.323 ( 0.000 -5.247 0.000) 5.247 4.658 ( 0.000 -1.001 0.000) 1.001 4.714 ( 0.000 1.121 0.000) 1.121 4.778 ( 0.000 -8.729 0.000) 8.729 4.997 ( 0.000 6.462 0.000) 6.462 5.195 ( 0.000 2.944 0.000) 2.944 5.289 ( 0.000 -6.503 0.000) 6.503 5.356 ( 0.000 -1.648 0.000) 1.648 5.497 ( 0.000 2.546 0.000) 2.546 5.654 ( 0.000 -1.305 0.000) 1.305 5.942 ( 0.000 4.148 0.000) 4.148 5.982 ( 0.000 5.790 0.000) 5.790 6.075 ( 0.000 0.851 0.000) 0.851 6.155 ( 0.000 -5.083 0.000) 5.083 7.318 ( 0.000 -3.547 0.000) 3.547 7.352 ( 0.000 -4.927 0.000) 4.927 9.122 ( 0.000 2.318 0.000) 2.318 9.153 ( 0.000 -0.428 0.000) 0.428 9.172 ( 0.000 -0.246 0.000) 0.246 9.200 ( 0.000 -2.015 0.000) 2.015 9.399 ( 0.000 1.841 0.000) 1.841 9.415 ( 0.000 0.316 0.000) 0.316 9.851 ( 0.000 2.969 0.000) 2.969 10.033 ( 0.000 -4.318 0.000) 4.318 10.307 ( 0.000 -0.951 0.000) 0.951 10.385 ( 0.000 -4.444 0.000) 4.444 10.775 ( 0.000 3.252 0.000) 3.252 10.897 ( 0.000 -2.882 0.000) 2.882 11.403 ( 0.000 6.779 0.000) 6.779 11.425 ( 0.000 4.355 0.000) 4.355 11.598 ( 0.000 0.669 0.000) 0.669 11.701 ( 0.000 -2.050 0.000) 2.050 12.964 ( 0.000 1.922 0.000) 1.922 13.061 ( 0.000 -1.954 0.000) 1.954 13.238 ( 0.000 1.773 0.000) 1.773 13.323 ( 0.000 -2.216 0.000) 2.216 20.095 ( 0.000 1.183 0.000) 1.183 20.190 ( 0.000 -3.564 0.000) 3.564 20.668 ( 0.000 5.267 0.000) 5.267 20.811 ( 0.000 -1.683 0.000) 1.683 23.789 ( 0.000 0.636 0.000) 0.636 23.850 ( 0.000 -2.429 0.000) 2.429 24.747 ( 0.000 8.680 0.000) 8.680 25.053 ( 0.000 -5.094 0.000) 5.094 25.974 ( 0.000 2.354 0.000) 2.354 26.098 ( 0.000 -3.169 0.000) 3.169 26.625 ( 0.000 0.518 0.000) 0.518 26.633 ( 0.000 0.086 0.000) 0.086 27.175 ( 0.000 3.909 0.000) 3.909 27.326 ( 0.000 -2.562 0.000) 2.562 27.711 ( 0.000 1.901 0.000) 1.901 27.814 ( 0.000 -2.658 0.000) 2.658 28.216 ( 0.000 1.837 0.000) 1.837 28.305 ( 0.000 -2.124 0.000) 2.124 28.474 ( 0.000 1.088 0.000) 1.088 28.573 ( 0.000 -3.353 0.000) 3.353 38.721 ( 0.000 1.154 0.000) 1.154 38.760 ( 0.000 -0.577 0.000) 0.577 39.287 ( 0.000 2.872 0.000) 2.872 39.407 ( 0.000 -2.360 0.000) 2.360 73.302 ( 0.000 3.453 0.000) 3.453 73.471 ( 0.000 -4.105 0.000) 4.105 77.464 ( 0.000 17.749 0.000) 17.749 78.161 ( 0.000 -12.660 0.000) 12.660 ======================= Grid point 23 (14/128) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -8.942 22.927 -3.128) 24.807 1.055 ( 9.464 20.556 -2.452) 22.763 1.583 ( 9.531 9.967 8.934) 16.432 1.692 ( -2.921 -10.155 0.114) 10.567 1.816 ( 7.244 -6.782 -7.891) 12.679 1.945 ( -1.979 -7.510 8.720) 11.677 2.045 ( -0.607 -2.743 0.949) 2.966 2.218 ( 2.737 -5.755 -1.178) 6.480 2.439 ( -1.346 0.360 -8.571) 8.684 2.513 ( -1.774 -0.277 2.504) 3.081 2.795 ( 0.934 2.485 0.533) 2.708 2.967 ( 4.854 -3.849 1.225) 6.315 3.200 ( 1.053 4.995 0.129) 5.106 3.272 ( -1.216 0.697 1.023) 1.735 3.441 ( 1.043 5.884 -0.826) 6.032 3.570 ( -2.039 3.213 -3.594) 5.235 3.762 ( -1.623 -7.023 5.662) 9.166 3.811 ( -4.790 -4.572 0.432) 6.636 4.020 ( -0.622 7.477 -0.675) 7.533 4.214 ( -3.595 2.099 1.233) 4.341 4.414 ( 7.384 -1.653 -4.220) 8.664 4.624 ( -1.936 -3.632 -0.130) 4.118 4.710 ( 0.467 1.160 -3.003) 3.252 4.821 ( 4.303 -4.234 -3.110) 6.791 5.049 ( 3.726 4.861 3.870) 7.245 5.171 ( -3.941 4.306 3.846) 6.990 5.272 ( -2.178 -3.084 1.095) 3.931 5.354 ( -2.243 -1.386 5.050) 5.697 5.546 ( 4.055 -3.135 0.697) 5.172 5.646 ( -1.029 -1.851 -0.685) 2.226 5.833 ( -8.267 5.003 -3.324) 10.218 5.977 ( 2.075 1.796 -1.384) 3.073 6.053 ( -3.241 -0.988 -2.505) 4.214 6.165 ( 0.227 -4.319 -0.241) 4.331 7.248 ( -5.239 -1.693 0.224) 5.510 7.361 ( -0.972 -4.912 1.003) 5.107 9.096 ( -2.530 1.939 0.086) 3.189 9.140 ( -2.221 -0.012 0.050) 2.222 9.164 ( 0.187 -0.121 0.192) 0.294 9.216 ( 1.141 -2.368 0.248) 2.640 9.399 ( 0.179 1.854 -0.120) 1.866 9.417 ( 0.227 0.089 -0.237) 0.340 9.842 ( -0.661 3.021 -0.422) 3.122 10.016 ( -1.108 -3.953 -1.165) 4.267 10.319 ( 1.221 -1.116 -0.064) 1.655 10.381 ( -0.873 -2.894 1.600) 3.420 10.807 ( 2.890 2.034 0.225) 3.542 10.909 ( 1.107 -2.641 0.028) 2.864 11.375 ( -4.415 5.831 -1.125) 7.400 11.404 ( -0.699 5.732 1.786) 6.044 11.565 ( -2.252 2.410 -1.316) 3.551 11.706 ( 1.146 -1.041 -1.734) 2.325 12.979 ( 0.744 1.615 1.592) 2.386 13.073 ( 0.596 -2.009 1.559) 2.612 13.225 ( -0.677 1.668 -1.390) 2.274 13.290 ( -1.541 -0.802 -2.438) 2.993 20.088 ( -0.512 1.310 -0.458) 1.479 20.186 ( -0.469 -3.535 0.367) 3.585 20.658 ( -0.982 5.368 -0.306) 5.466 20.762 ( -2.805 1.222 -2.684) 4.070 23.786 ( -0.218 0.698 -0.165) 0.750 23.848 ( -0.039 -2.366 -0.545) 2.428 24.744 ( 0.027 8.430 -0.920) 8.480 25.055 ( 0.139 -5.327 0.341) 5.340 25.997 ( 1.014 1.528 2.494) 3.096 26.086 ( -1.541 -2.331 0.213) 2.802 26.530 ( -6.271 3.988 -1.480) 7.577 26.606 ( -2.256 -0.434 -2.069) 3.092 27.192 ( 1.050 2.020 0.339) 2.301 27.318 ( -0.816 -2.761 0.351) 2.900 27.719 ( 0.682 2.256 0.195) 2.365 27.776 ( -0.331 1.306 -5.858) 6.011 28.203 ( 0.200 1.993 -2.140) 2.931 28.304 ( 0.517 -2.051 -2.729) 3.453 28.538 ( -0.365 -1.968 4.265) 4.711 28.611 ( 2.181 -5.634 10.698) 12.286 38.753 ( 3.013 0.166 -0.903) 3.150 38.781 ( 2.779 -1.093 -1.687) 3.430 39.294 ( 0.760 2.996 -0.092) 3.093 39.418 ( 0.925 -2.422 0.490) 2.639 73.297 ( -0.225 3.598 -0.413) 3.629 73.472 ( -0.350 -4.115 0.963) 4.240 77.258 ( -19.758 22.502 -0.893) 29.958 77.883 ( -15.603 -4.529 -18.583) 24.683 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 9.565 9.911 3.903) 14.316 1.266 ( 13.215 16.242 -1.147) 20.970 1.594 ( -2.554 -19.373 0.129) 19.541 1.786 ( 4.293 -0.265 3.905) 5.810 1.888 ( 1.145 -3.510 -1.652) 4.045 1.943 ( 0.251 -4.520 3.307) 5.607 2.124 ( 4.750 -0.596 1.367) 4.978 2.247 ( 3.547 -0.214 -3.624) 5.075 2.371 ( -0.541 2.905 -5.827) 6.533 2.497 ( -1.731 -0.845 2.450) 3.116 2.842 ( 3.209 6.821 0.387) 7.548 3.061 ( 2.862 -1.271 1.411) 3.435 3.231 ( 3.110 2.757 -1.463) 4.406 3.242 ( -2.716 0.052 3.272) 4.253 3.390 ( -5.073 7.365 -2.696) 9.341 3.561 ( 2.769 -1.526 -1.166) 3.370 3.673 ( -6.667 -1.799 0.503) 6.924 3.819 ( 0.752 -5.368 5.491) 7.716 4.009 ( 0.828 5.931 -1.839) 6.265 4.148 ( -3.862 2.824 -0.198) 4.788 4.481 ( 1.432 -3.186 -2.580) 4.343 4.583 ( -1.373 -5.844 -1.738) 6.250 4.729 ( 2.732 3.449 -1.577) 4.674 4.842 ( -1.023 -0.556 -0.729) 1.373 5.095 ( -4.936 4.241 3.149) 7.229 5.179 ( 2.703 3.553 4.179) 6.115 5.226 ( -0.231 1.351 -0.245) 1.392 5.357 ( -1.274 -2.224 1.936) 3.213 5.540 ( -6.347 4.294 -4.740) 9.011 5.603 ( 0.146 -4.511 0.932) 4.608 5.747 ( 0.553 -6.560 -0.160) 6.586 5.926 ( -6.471 -6.419 -0.430) 9.125 6.023 ( 2.556 0.233 -1.756) 3.109 6.132 ( -3.223 -3.987 -0.693) 5.173 7.157 ( -4.040 1.505 0.338) 4.325 7.327 ( -3.055 -3.474 0.924) 4.718 9.038 ( -3.333 0.962 0.021) 3.469 9.084 ( -3.407 -0.378 0.115) 3.430 9.172 ( 0.251 0.521 0.236) 0.624 9.236 ( 0.766 -2.420 -0.035) 2.538 9.406 ( 0.496 1.685 0.066) 1.758 9.420 ( 0.422 -0.002 -0.535) 0.681 9.823 ( -0.949 3.110 -0.436) 3.281 9.983 ( -1.353 -3.214 -1.093) 3.655 10.346 ( 1.377 -1.053 0.211) 1.746 10.383 ( 0.012 -1.205 1.598) 2.002 10.870 ( 3.088 0.504 0.174) 3.134 10.933 ( 1.375 -2.299 -0.336) 2.700 11.270 ( -4.625 8.068 -2.018) 9.516 11.392 ( -2.764 2.671 3.444) 5.161 11.527 ( -0.341 5.424 -1.390) 5.609 11.705 ( -0.333 -0.545 -1.501) 1.631 13.005 ( 0.374 1.496 2.211) 2.696 13.098 ( 0.831 -1.425 1.020) 1.940 13.207 ( 0.088 0.910 -0.673) 1.135 13.256 ( -0.044 -0.377 -2.658) 2.685 20.070 ( -0.781 1.599 -0.774) 1.940 20.179 ( -0.592 -3.599 0.665) 3.708 20.629 ( -1.186 5.830 -1.123) 6.054 20.708 ( -1.058 2.413 -1.471) 3.017 23.783 ( 0.064 0.678 -0.217) 0.715 23.841 ( -0.147 -2.062 -0.613) 2.156 24.733 ( -0.500 8.023 -0.800) 8.078 25.063 ( 0.030 -6.438 1.158) 6.541 26.027 ( -0.253 0.319 1.366) 1.425 26.044 ( -2.332 -0.441 0.568) 2.441 26.431 ( -3.559 4.505 0.484) 5.762 26.537 ( -2.886 -0.886 -2.207) 3.740 27.211 ( 0.999 0.217 -0.200) 1.042 27.305 ( -0.842 -3.172 0.475) 3.316 27.738 ( 1.368 3.462 -1.497) 4.012 27.746 ( 1.275 3.226 -3.860) 5.190 28.199 ( 0.684 1.533 -1.509) 2.257 28.286 ( 0.215 -1.572 -3.765) 4.086 28.529 ( -2.289 0.391 2.925) 3.735 28.729 ( 0.540 -9.166 10.969) 14.305 38.803 ( 2.540 -0.386 0.050) 2.569 38.829 ( 3.533 -1.953 -2.957) 5.004 39.313 ( 1.312 3.267 -0.260) 3.530 39.445 ( 1.282 -2.512 0.882) 2.955 73.293 ( 0.299 3.628 -0.702) 3.707 73.470 ( -0.946 -3.926 1.938) 4.479 76.842 ( -18.417 26.347 -3.991) 32.392 77.462 ( -15.167 -3.256 -14.325) 21.115 ======================= Grid point 25 (16/128) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 17.117 1.619 6.363) 18.332 1.507 ( 12.102 8.831 -0.946) 15.012 1.643 ( 6.413 -13.642 4.371) 15.694 1.828 ( 1.976 -1.236 -4.768) 5.308 1.908 ( 0.291 -2.393 4.704) 5.285 1.972 ( 2.023 -6.423 -0.142) 6.735 2.170 ( 0.714 1.082 -5.448) 5.600 2.280 ( -0.398 -1.261 -2.793) 3.090 2.349 ( 1.505 4.467 1.825) 5.055 2.499 ( -0.222 -2.195 3.105) 3.809 2.877 ( 0.476 8.690 -1.115) 8.774 3.070 ( -2.069 2.515 0.924) 3.385 3.231 ( -1.853 2.422 0.346) 3.069 3.267 ( -3.507 6.501 0.339) 7.395 3.323 ( 5.651 -2.823 -1.946) 6.610 3.573 ( -3.166 -0.419 -0.095) 3.195 3.589 ( -0.040 0.146 -0.653) 0.670 3.890 ( 2.246 -9.010 5.708) 10.900 4.036 ( 2.964 5.225 -1.595) 6.215 4.076 ( -2.100 4.564 -0.940) 5.111 4.437 ( -3.002 -2.380 -2.590) 4.624 4.550 ( -1.983 -5.657 -0.897) 6.061 4.718 ( -5.513 1.738 4.949) 7.610 4.790 ( -4.644 0.208 0.576) 4.684 5.019 ( -2.261 4.893 -3.205) 6.271 5.155 ( -1.428 3.474 -4.087) 5.551 5.279 ( -1.383 -1.048 1.752) 2.466 5.355 ( 3.192 3.796 1.167) 5.095 5.456 ( 0.329 -1.942 -2.488) 3.173 5.592 ( -1.172 -0.039 0.581) 1.309 5.716 ( -3.350 -7.253 -2.806) 8.468 5.859 ( -1.042 -10.995 2.214) 11.264 6.049 ( -4.675 -2.415 -0.105) 5.263 6.060 ( 1.577 -3.487 0.645) 3.881 7.107 ( -1.317 4.202 -0.211) 4.408 7.267 ( -3.736 -0.874 0.730) 3.905 8.979 ( -2.616 -0.138 -0.226) 2.629 9.023 ( -3.016 -1.138 0.302) 3.238 9.174 ( -0.113 0.666 -0.014) 0.675 9.245 ( 0.321 -2.582 -0.084) 2.603 9.414 ( 0.214 1.292 0.062) 1.311 9.427 ( 0.676 1.026 -0.523) 1.335 9.804 ( -0.735 3.152 -0.159) 3.240 9.954 ( -0.985 -2.664 -0.474) 2.880 10.369 ( 0.543 0.524 1.056) 1.298 10.405 ( 1.257 -1.834 0.434) 2.265 10.911 ( 1.238 0.203 -0.721) 1.447 10.956 ( 1.252 -2.804 -0.370) 3.093 11.188 ( -2.572 7.740 -1.406) 8.277 11.359 ( -3.031 0.568 3.754) 4.859 11.526 ( 0.546 6.094 -0.395) 6.131 11.667 ( -2.226 0.407 -1.817) 2.903 13.023 ( -0.086 1.965 1.919) 2.748 13.122 ( 1.448 -1.038 0.077) 1.783 13.217 ( 0.562 -0.417 0.500) 0.860 13.245 ( 0.659 -0.676 -1.968) 2.183 20.050 ( -0.739 1.902 -0.795) 2.190 20.175 ( -0.388 -4.012 0.763) 4.102 20.608 ( -0.235 5.246 -0.922) 5.331 20.690 ( -0.370 1.743 -0.500) 1.851 23.784 ( 0.228 0.689 -0.185) 0.749 23.835 ( -0.106 -1.562 -0.448) 1.629 24.715 ( -0.883 7.583 -0.298) 7.640 25.068 ( -0.667 -7.868 1.498) 8.037 25.989 ( -1.703 1.031 -1.117) 2.283 26.036 ( -0.981 -0.779 1.461) 1.924 26.387 ( -2.023 3.189 1.163) 3.952 26.475 ( -2.120 -0.871 -1.408) 2.690 27.232 ( 1.342 -1.030 -0.107) 1.695 27.295 ( -0.569 -3.383 0.424) 3.456 27.736 ( 1.342 4.638 -3.675) 6.068 27.775 ( 2.195 2.705 -0.179) 3.488 28.204 ( 0.721 0.940 -1.030) 1.570 28.260 ( -0.086 -0.966 -3.440) 3.574 28.505 ( -2.160 3.054 2.554) 4.529 28.789 ( -0.772 -8.989 6.889) 11.352 38.848 ( 1.954 -0.924 0.199) 2.171 38.865 ( 2.211 -1.896 -2.150) 3.620 39.337 ( 1.330 3.533 -0.327) 3.790 39.475 ( 1.068 -2.553 0.978) 2.935 73.300 ( 0.966 3.316 -0.845) 3.556 73.463 ( -1.452 -3.459 2.341) 4.422 76.555 ( -9.291 20.967 -2.939) 23.121 77.110 ( -12.848 -4.810 -8.159) 15.961 ======================= Grid point 26 (17/128) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 9.641 5.186 2.861) 11.315 1.698 ( 8.789 1.978 -0.703) 9.036 1.806 ( 7.340 1.975 -0.830) 7.646 1.921 ( 9.575 -5.530 0.976) 11.101 1.975 ( 1.671 -4.523 4.203) 6.397 1.991 ( 0.445 -1.911 2.588) 3.247 2.100 ( -2.700 0.177 -4.284) 5.067 2.235 ( -0.929 -4.224 -4.069) 5.938 2.365 ( -2.955 2.590 2.335) 4.570 2.510 ( -1.277 -3.940 2.419) 4.797 2.875 ( 0.234 7.651 0.387) 7.664 3.036 ( -1.541 1.086 0.071) 1.887 3.145 ( -4.051 8.058 -3.800) 9.787 3.222 ( -1.191 6.813 0.255) 6.921 3.411 ( 2.592 -2.006 -0.705) 3.352 3.550 ( 0.515 -5.769 -2.574) 6.338 3.572 ( -1.293 2.069 3.035) 3.894 3.968 ( 1.765 -9.994 3.309) 10.675 4.020 ( -1.318 6.405 0.742) 6.581 4.146 ( 7.987 1.854 -3.222) 8.809 4.359 ( -3.065 -1.471 -1.553) 3.737 4.466 ( -7.088 -5.855 0.815) 9.229 4.647 ( -3.996 1.337 3.161) 5.267 4.686 ( -5.660 1.133 1.913) 6.081 4.945 ( -2.559 2.147 -2.585) 4.224 5.138 ( 0.385 0.525 -2.446) 2.531 5.240 ( -0.068 1.110 -2.059) 2.340 5.431 ( 2.968 3.676 1.654) 5.006 5.483 ( 3.001 -4.660 -2.665) 6.150 5.577 ( -1.517 2.805 0.793) 3.286 5.637 ( -2.715 -5.855 -0.475) 6.471 5.860 ( -0.392 -11.529 0.535) 11.548 5.969 ( -3.416 -1.037 0.495) 3.604 6.089 ( 0.773 -4.971 0.967) 5.123 7.100 ( 0.771 5.634 -0.582) 5.717 7.203 ( -3.291 1.734 0.638) 3.774 8.941 ( -1.127 -1.047 -0.321) 1.572 8.977 ( -1.955 -1.892 0.313) 2.739 9.170 ( -0.182 0.466 -0.096) 0.509 9.249 ( 0.139 -3.167 -0.026) 3.170 9.417 ( 0.064 1.663 0.054) 1.665 9.435 ( 0.444 2.070 -0.319) 2.141 9.794 ( -0.325 3.173 0.037) 3.190 9.939 ( -0.441 -2.438 -0.052) 2.478 10.384 ( 0.291 1.936 0.992) 2.195 10.428 ( 0.950 -2.543 -0.126) 2.718 10.918 ( 0.435 -0.214 -0.575) 0.752 10.964 ( -0.081 -3.493 -0.685) 3.561 11.149 ( -0.924 6.521 -0.621) 6.615 11.343 ( -1.212 -0.848 2.994) 3.339 11.533 ( 0.260 5.515 0.122) 5.522 11.607 ( -2.267 2.240 -1.839) 3.679 13.032 ( -0.134 2.427 1.094) 2.665 13.152 ( 1.488 -1.815 0.036) 2.347 13.220 ( -0.350 -0.071 -0.212) 0.415 13.254 ( 0.880 -1.298 -0.400) 1.618 20.033 ( -0.452 2.145 -0.498) 2.248 20.175 ( -0.155 -4.567 0.521) 4.599 20.603 ( 0.125 4.378 -0.416) 4.400 20.683 ( -0.171 1.188 -0.169) 1.212 23.787 ( 0.176 0.763 -0.107) 0.790 23.831 ( -0.028 -1.098 -0.226) 1.121 24.698 ( -0.678 7.144 -0.024) 7.176 25.061 ( -0.886 -8.722 0.984) 8.822 25.961 ( -0.588 1.517 -0.706) 1.774 26.025 ( -0.774 -1.206 0.470) 1.508 26.365 ( -1.052 2.393 0.695) 2.705 26.437 ( -1.150 -0.738 -0.629) 1.504 27.257 ( 1.161 -2.024 0.074) 2.335 27.288 ( -0.470 -3.209 0.250) 3.253 27.736 ( 0.715 5.029 -1.848) 5.406 27.816 ( 1.916 1.942 -0.033) 2.728 28.207 ( 0.207 0.413 -0.737) 0.869 28.237 ( -0.111 -0.422 -1.939) 1.987 28.488 ( -1.148 5.070 1.475) 5.403 28.810 ( -0.677 -8.219 3.205) 8.847 38.878 ( 1.024 -1.412 0.177) 1.753 38.883 ( 1.003 -1.662 -1.078) 2.221 39.356 ( 0.809 3.703 -0.216) 3.796 39.497 ( 0.564 -2.549 0.642) 2.689 73.314 ( 0.993 2.899 -0.711) 3.146 73.451 ( -1.276 -2.953 1.707) 3.642 76.424 ( -3.510 15.058 -1.266) 15.514 76.872 ( -7.346 -5.281 -3.596) 9.736 ======================= Grid point 27 (18/128) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 8.659 0.000) 8.659 1.819 ( 0.000 1.487 0.000) 1.487 1.921 ( -0.000 4.887 0.000) 4.887 1.951 ( 0.000 -1.150 -0.000) 1.150 1.966 ( 0.000 -3.801 -0.000) 3.801 2.069 ( -0.000 -3.368 0.000) 3.368 2.090 ( 0.000 -0.969 -0.000) 0.969 2.249 ( 0.000 -7.967 0.000) 7.967 2.279 ( 0.000 3.959 0.000) 3.959 2.498 ( 0.000 -6.835 -0.000) 6.835 2.884 ( 0.000 6.456 -0.000) 6.456 3.019 ( 0.000 -0.986 0.000) 0.986 3.081 ( -0.000 10.372 0.000) 10.372 3.222 ( 0.000 9.821 0.000) 9.821 3.420 ( 0.000 -2.137 -0.000) 2.137 3.544 ( 0.000 -10.106 -0.000) 10.106 3.577 ( -0.000 3.202 0.000) 3.202 3.997 ( 0.000 -8.759 -0.000) 8.759 4.013 ( -0.000 7.537 0.000) 7.537 4.287 ( 0.000 0.707 -0.000) 0.707 4.300 ( -0.000 0.981 0.000) 0.981 4.341 ( -0.000 -9.532 0.000) 9.532 4.622 ( -0.000 -0.126 -0.000) 0.126 4.637 ( 0.000 3.375 0.000) 3.375 4.910 ( 0.000 0.532 0.000) 0.532 5.118 ( 0.000 -3.354 0.000) 3.354 5.251 ( 0.000 4.572 -0.000) 4.572 5.473 ( 0.000 0.041 -0.000) 0.041 5.505 ( -0.000 0.256 0.000) 0.256 5.545 ( 0.000 -2.763 -0.000) 2.763 5.617 ( 0.000 -1.173 -0.000) 1.173 5.856 ( 0.000 -11.280 0.000) 11.280 5.938 ( 0.000 -0.669 -0.000) 0.669 6.100 ( 0.000 -5.292 0.000) 5.292 7.113 ( 0.000 6.098 0.000) 6.098 7.167 ( 0.000 2.789 0.000) 2.789 8.930 ( 0.000 -1.452 -0.000) 1.452 8.958 ( -0.000 -2.169 0.000) 2.169 9.168 ( 0.000 0.332 -0.000) 0.332 9.250 ( 0.000 -3.523 0.000) 3.523 9.418 ( 0.000 2.017 -0.000) 2.017 9.438 ( 0.000 2.479 0.000) 2.479 9.791 ( 0.000 3.188 0.000) 3.188 9.935 ( 0.000 -2.397 -0.000) 2.397 10.391 ( 0.000 2.559 -0.000) 2.559 10.437 ( 0.000 -2.806 0.000) 2.806 10.923 ( 0.000 -0.589 0.000) 0.589 10.955 ( 0.000 -3.709 0.000) 3.709 11.139 ( 0.000 5.956 0.000) 5.956 11.345 ( 0.000 -1.840 0.000) 1.840 11.536 ( 0.000 5.115 0.000) 5.115 11.574 ( 0.000 3.607 0.000) 3.607 13.034 ( 0.000 2.581 -0.000) 2.581 13.170 ( 0.000 -2.833 0.000) 2.833 13.212 ( 0.000 0.787 0.000) 0.787 13.262 ( 0.000 -1.483 -0.000) 1.483 20.027 ( 0.000 2.242 0.000) 2.242 20.176 ( 0.000 -4.819 0.000) 4.819 20.603 ( 0.000 4.028 0.000) 4.028 20.680 ( 0.000 0.998 0.000) 0.998 23.789 ( 0.000 0.804 0.000) 0.804 23.830 ( 0.000 -0.910 -0.000) 0.910 24.692 ( 0.000 6.946 -0.000) 6.946 25.055 ( 0.000 -8.939 0.000) 8.939 25.953 ( 0.000 1.662 0.000) 1.662 26.019 ( 0.000 -1.344 0.000) 1.344 26.358 ( 0.000 2.133 0.000) 2.133 26.423 ( 0.000 -0.681 0.000) 0.681 27.271 ( 0.000 -2.512 -0.000) 2.512 27.281 ( 0.000 -2.972 0.000) 2.972 27.736 ( 0.000 5.235 0.000) 5.235 27.836 ( 0.000 1.407 0.000) 1.407 28.204 ( 0.000 0.416 0.000) 0.416 28.230 ( 0.000 -0.361 0.000) 0.361 28.483 ( 0.000 5.793 0.000) 5.793 28.815 ( 0.000 -7.873 0.000) 7.873 38.888 ( -0.000 -1.567 0.000) 1.567 38.888 ( 0.000 -1.607 -0.000) 1.607 39.363 ( 0.000 3.757 -0.000) 3.757 39.505 ( 0.000 -2.539 0.000) 2.539 73.322 ( 0.000 2.706 -0.000) 2.706 73.444 ( 0.000 -2.733 0.000) 2.733 76.388 ( 0.000 12.815 0.000) 12.815 76.788 ( 0.000 -5.274 0.000) 5.274 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 -17.111 0.000) 17.111 1.382 ( 0.000 17.111 0.000) 17.111 1.519 ( 0.000 -20.459 0.000) 20.459 1.519 ( 0.000 20.459 0.000) 20.459 1.709 ( 0.000 -8.051 0.000) 8.051 1.709 ( 0.000 8.051 0.000) 8.051 2.083 ( 0.000 -2.770 0.000) 2.770 2.083 ( 0.000 2.770 0.000) 2.770 2.480 ( 0.000 -1.883 0.000) 1.883 2.480 ( 0.000 1.883 0.000) 1.883 2.841 ( 0.000 -3.715 0.000) 3.715 2.841 ( 0.000 3.715 0.000) 3.715 3.265 ( 0.000 -1.982 0.000) 1.982 3.265 ( 0.000 1.982 0.000) 1.982 3.539 ( 0.000 -8.984 0.000) 8.984 3.539 ( 0.000 8.984 0.000) 8.984 3.759 ( 0.000 -5.095 0.000) 5.095 3.759 ( 0.000 5.095 0.000) 5.095 4.196 ( 0.000 -6.909 0.000) 6.909 4.196 ( 0.000 6.909 0.000) 6.909 4.473 ( 0.000 -11.958 0.000) 11.958 4.473 ( 0.000 11.958 0.000) 11.958 4.726 ( 0.000 -0.022 0.000) 0.022 4.726 ( 0.000 0.022 0.000) 0.022 5.139 ( 0.000 -6.806 0.000) 6.806 5.139 ( 0.000 6.806 0.000) 6.806 5.278 ( 0.000 -4.053 0.000) 4.053 5.278 ( 0.000 4.053 0.000) 4.053 5.591 ( 0.000 -4.505 0.000) 4.505 5.591 ( 0.000 4.505 0.000) 4.505 6.041 ( 0.000 -5.106 0.000) 5.106 6.041 ( 0.000 5.106 0.000) 5.106 6.070 ( 0.000 -2.326 0.000) 2.326 6.070 ( 0.000 2.326 0.000) 2.326 7.284 ( 0.000 -0.861 0.000) 0.861 7.284 ( 0.000 0.861 0.000) 0.861 9.157 ( 0.000 -0.261 0.000) 0.261 9.157 ( 0.000 0.261 0.000) 0.261 9.165 ( 0.000 -0.398 0.000) 0.398 9.165 ( 0.000 0.398 0.000) 0.398 9.419 ( 0.000 -0.186 0.000) 0.186 9.419 ( 0.000 0.186 0.000) 0.186 9.934 ( 0.000 -4.754 0.000) 4.754 9.934 ( 0.000 4.754 0.000) 4.754 10.317 ( 0.000 -1.928 0.000) 1.928 10.317 ( 0.000 1.928 0.000) 1.928 10.839 ( 0.000 -2.843 0.000) 2.843 10.839 ( 0.000 2.843 0.000) 2.843 11.477 ( 0.000 -0.073 0.000) 0.073 11.477 ( 0.000 0.073 0.000) 0.073 11.641 ( 0.000 -3.316 0.000) 3.316 11.641 ( 0.000 3.316 0.000) 3.316 13.012 ( 0.000 -2.513 0.000) 2.513 13.012 ( 0.000 2.513 0.000) 2.513 13.278 ( 0.000 -2.049 0.000) 2.049 13.278 ( 0.000 2.049 0.000) 2.049 20.130 ( 0.000 -2.229 0.000) 2.229 20.130 ( 0.000 2.229 0.000) 2.229 20.759 ( 0.000 -3.389 0.000) 3.389 20.759 ( 0.000 3.389 0.000) 3.389 23.810 ( 0.000 -1.395 0.000) 1.395 23.810 ( 0.000 1.395 0.000) 1.395 24.920 ( 0.000 -7.558 0.000) 7.558 24.920 ( 0.000 7.558 0.000) 7.558 26.032 ( 0.000 -3.077 0.000) 3.077 26.032 ( 0.000 3.077 0.000) 3.077 26.632 ( 0.000 -0.175 0.000) 0.175 26.632 ( 0.000 0.175 0.000) 0.175 27.258 ( 0.000 -3.792 0.000) 3.792 27.258 ( 0.000 3.792 0.000) 3.792 27.759 ( 0.000 -2.554 0.000) 2.554 27.759 ( 0.000 2.554 0.000) 2.554 28.259 ( 0.000 -2.178 0.000) 2.178 28.259 ( 0.000 2.178 0.000) 2.178 28.510 ( 0.000 -2.438 0.000) 2.438 28.510 ( 0.000 2.438 0.000) 2.438 38.744 ( 0.000 -0.974 0.000) 0.974 38.744 ( 0.000 0.974 0.000) 0.974 39.350 ( 0.000 -2.999 0.000) 2.999 39.350 ( 0.000 2.999 0.000) 2.999 73.383 ( 0.000 -4.172 0.000) 4.172 73.383 ( 0.000 4.172 0.000) 4.172 77.842 ( 0.000 -17.410 0.000) 17.410 77.842 ( 0.000 17.410 0.000) 17.410 ======================= Grid point 35 (20/128) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -9.940 -20.166 -1.151) 22.512 1.306 ( -9.940 20.166 -1.151) 22.512 1.477 ( 6.755 -18.596 -6.452) 20.811 1.477 ( 6.755 18.596 -6.452) 20.811 1.819 ( 2.267 -5.387 8.988) 10.721 1.819 ( 2.267 5.387 8.988) 10.721 2.101 ( 2.658 -5.132 -0.514) 5.802 2.101 ( 2.658 5.132 -0.515) 5.802 2.488 ( 1.268 -2.727 -3.824) 4.865 2.488 ( 1.268 2.727 -3.824) 4.865 2.876 ( 3.435 -4.811 1.731) 6.160 2.876 ( 3.435 4.811 1.731) 6.160 3.263 ( -0.970 -1.491 0.806) 1.953 3.263 ( -0.970 1.491 0.806) 1.953 3.552 ( 0.914 -7.396 1.502) 7.602 3.552 ( 0.914 7.396 1.502) 7.602 3.722 ( -3.339 -6.029 -0.851) 6.944 3.722 ( -3.339 6.029 -0.851) 6.944 4.174 ( -2.836 -5.793 2.343) 6.863 4.174 ( -2.836 5.793 2.343) 6.863 4.477 ( 1.439 -7.511 -3.329) 8.341 4.477 ( 1.439 7.511 -3.329) 8.341 4.756 ( 4.167 -2.543 -3.406) 5.953 4.756 ( 4.167 2.543 -3.406) 5.953 5.166 ( 1.068 -5.831 3.802) 7.043 5.166 ( 1.068 5.831 3.802) 7.043 5.269 ( -2.497 -4.994 3.911) 6.817 5.269 ( -2.497 4.994 3.911) 6.817 5.582 ( -0.433 -3.870 -1.076) 4.040 5.582 ( -0.433 3.870 -1.076) 4.040 5.947 ( -7.151 -4.505 -1.453) 8.575 5.947 ( -7.151 4.505 -1.453) 8.575 6.082 ( 0.600 -3.307 -2.625) 4.265 6.082 ( 0.600 3.307 -2.625) 4.265 7.265 ( -1.973 -3.323 0.633) 3.917 7.265 ( -1.973 3.323 0.633) 3.917 9.131 ( -2.780 -1.136 0.117) 3.005 9.131 ( -2.780 1.136 0.117) 3.005 9.175 ( 0.978 -1.324 0.086) 1.648 9.175 ( 0.978 1.324 0.086) 1.648 9.418 ( 0.044 -0.156 -0.056) 0.172 9.418 ( 0.044 0.156 -0.056) 0.172 9.924 ( -0.713 -4.533 -0.576) 4.625 9.924 ( -0.713 4.533 -0.576) 4.625 10.326 ( 0.699 -1.720 0.416) 1.903 10.326 ( 0.699 1.720 0.416) 1.903 10.857 ( 1.649 -2.467 0.212) 2.975 10.857 ( 1.649 2.467 0.212) 2.975 11.450 ( -3.193 -1.196 1.528) 3.736 11.450 ( -3.193 1.196 1.528) 3.736 11.643 ( 0.857 -4.337 -1.763) 4.759 11.643 ( 0.857 4.337 -1.763) 4.759 13.025 ( 0.589 -2.486 1.583) 3.006 13.025 ( 0.589 2.486 1.583) 3.006 13.261 ( -0.647 -1.671 -2.172) 2.816 13.261 ( -0.647 1.671 -2.172) 2.816 20.125 ( -0.405 -2.323 -0.097) 2.360 20.125 ( -0.405 2.323 -0.097) 2.360 20.743 ( -1.145 -2.668 -0.895) 3.038 20.743 ( -1.145 2.668 -0.895) 3.038 23.808 ( -0.074 -1.452 -0.337) 1.492 23.808 ( -0.074 1.452 -0.337) 1.492 24.917 ( -0.316 -7.726 -0.017) 7.732 24.917 ( -0.316 7.726 -0.017) 7.732 26.037 ( -0.165 -2.224 1.333) 2.598 26.037 ( -0.165 2.224 1.333) 2.598 26.585 ( -3.541 -1.617 -1.733) 4.261 26.585 ( -3.541 1.617 -1.733) 4.261 27.253 ( -0.670 -3.326 0.405) 3.417 27.253 ( -0.670 3.326 0.405) 3.417 27.764 ( 1.085 -1.812 -1.409) 2.539 27.764 ( 1.085 1.812 -1.409) 2.539 28.253 ( 0.640 -2.605 -3.082) 4.086 28.253 ( 0.640 2.605 -3.082) 4.086 28.536 ( 0.066 -1.786 5.841) 6.108 28.536 ( 0.066 1.786 5.841) 6.108 38.763 ( 2.122 -0.708 -0.748) 2.358 38.763 ( 2.122 0.708 -0.748) 2.358 39.359 ( 0.883 -3.102 0.193) 3.231 39.359 ( 0.883 3.102 0.193) 3.231 73.382 ( -0.243 -4.320 0.341) 4.340 73.382 ( -0.243 4.320 0.341) 4.340 77.659 ( -14.836 -15.713 -6.820) 22.661 77.659 ( -14.836 15.713 -6.820) 22.661 ======================= Grid point 37 (21/128) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.182 -19.084 1.358) 19.169 1.173 ( -1.182 19.084 1.358) 19.169 1.607 ( 8.889 -14.699 -1.999) 17.294 1.607 ( 8.889 14.699 -1.999) 17.294 1.868 ( -0.905 -1.726 2.888) 3.484 1.868 ( -0.905 1.726 2.888) 3.484 2.183 ( 4.950 -4.456 -0.246) 6.665 2.183 ( 4.950 4.456 -0.246) 6.665 2.460 ( -1.117 -3.850 -2.360) 4.652 2.460 ( -1.117 3.850 -2.360) 4.652 2.980 ( 4.935 -5.789 1.449) 7.744 2.980 ( 4.935 5.789 1.449) 7.744 3.239 ( -1.005 -0.349 -0.073) 1.066 3.239 ( -1.005 0.349 -0.073) 1.066 3.556 ( -3.354 -2.500 -0.351) 4.198 3.556 ( -3.354 2.500 -0.351) 4.198 3.666 ( -0.680 -5.724 2.073) 6.126 3.666 ( -0.680 5.724 2.073) 6.126 4.139 ( -1.698 -4.419 0.660) 4.780 4.139 ( -1.698 4.419 0.660) 4.780 4.473 ( -0.060 -3.184 -1.980) 3.750 4.473 ( -0.060 3.184 -1.980) 3.750 4.804 ( 1.964 -3.164 -2.458) 4.462 4.804 ( 1.964 3.163 -2.458) 4.462 5.180 ( -3.108 -3.329 2.931) 5.416 5.180 ( -3.108 3.329 2.931) 5.416 5.282 ( 1.609 -4.650 4.054) 6.375 5.282 ( 1.609 4.650 4.054) 6.375 5.554 ( -1.253 -1.899 -3.163) 3.896 5.554 ( -1.253 1.899 -3.163) 3.896 5.787 ( -6.978 -6.692 -2.039) 9.881 5.787 ( -6.978 6.692 -2.039) 9.881 6.058 ( -1.415 -2.863 -0.947) 3.331 6.058 ( -1.415 2.863 -0.947) 3.331 7.231 ( -1.923 -4.928 0.660) 5.331 7.231 ( -1.923 4.928 0.660) 5.331 9.065 ( -3.933 -1.323 0.198) 4.154 9.065 ( -3.933 1.323 0.198) 4.154 9.193 ( 0.714 -1.554 -0.133) 1.716 9.193 ( 0.714 1.554 -0.133) 1.716 9.422 ( 0.378 -0.161 0.053) 0.414 9.422 ( 0.378 0.161 0.053) 0.414 9.903 ( -0.925 -4.178 -0.667) 4.331 9.903 ( -0.925 4.178 -0.667) 4.331 10.347 ( 1.104 -1.300 0.673) 1.834 10.347 ( 1.104 1.300 0.673) 1.834 10.894 ( 1.941 -1.556 -0.043) 2.488 10.894 ( 1.941 1.556 -0.043) 2.488 11.388 ( -4.375 -2.959 1.804) 5.581 11.388 ( -4.375 2.959 1.804) 5.581 11.643 ( 0.456 -4.915 -1.985) 5.321 11.643 ( 0.456 4.915 -1.985) 5.321 13.052 ( 0.646 -2.582 2.263) 3.493 13.052 ( 0.646 2.582 2.263) 3.493 13.235 ( -0.012 -1.432 -2.658) 3.019 13.235 ( -0.012 1.432 -2.658) 3.019 20.114 ( -0.625 -2.605 -0.154) 2.683 20.114 ( -0.625 2.605 -0.154) 2.683 20.712 ( -1.225 -2.010 -0.953) 2.540 20.712 ( -1.225 2.010 -0.953) 2.540 23.804 ( 0.072 -1.417 -0.431) 1.483 23.804 ( 0.072 1.417 -0.431) 1.483 24.907 ( -0.833 -8.237 0.302) 8.285 24.907 ( -0.833 8.237 0.302) 8.285 26.035 ( -1.099 -0.449 1.023) 1.568 26.035 ( -1.099 0.449 1.023) 1.568 26.503 ( -3.419 -2.456 -1.201) 4.377 26.503 ( -3.419 2.456 -1.201) 4.377 27.243 ( -0.528 -2.514 0.315) 2.588 27.243 ( -0.528 2.514 0.315) 2.588 27.778 ( 1.699 -0.432 -2.222) 2.830 27.778 ( 1.699 0.432 -2.222) 2.830 28.242 ( 0.722 -2.390 -3.475) 4.278 28.242 ( 0.722 2.390 -3.475) 4.278 28.581 ( -0.466 -4.820 6.931) 8.455 28.581 ( -0.466 4.820 6.931) 8.455 38.804 ( 2.572 -0.518 -0.980) 2.801 38.804 ( 2.572 0.518 -0.980) 2.801 39.383 ( 1.361 -3.300 0.312) 3.583 39.383 ( 1.361 3.300 0.312) 3.583 73.380 ( -0.265 -4.467 0.633) 4.519 73.380 ( -0.265 4.467 0.633) 4.519 77.273 ( -17.882 -14.924 -7.828) 24.572 77.273 ( -17.882 14.924 -7.828) 24.572 ======================= Grid point 39 (22/128) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 12.064 -11.736 6.298) 17.970 1.316 ( 12.064 11.736 6.298) 17.970 1.757 ( 7.237 -9.130 -0.272) 11.654 1.757 ( 7.237 9.130 -0.272) 11.654 1.871 ( 1.217 -0.479 -0.704) 1.485 1.871 ( 1.217 0.479 -0.704) 1.485 2.219 ( -0.159 -3.424 -4.178) 5.404 2.219 ( -0.159 3.424 -4.178) 5.404 2.445 ( -0.417 -3.874 2.461) 4.608 2.445 ( -0.417 3.874 2.461) 4.608 3.029 ( -0.748 -5.249 0.483) 5.324 3.029 ( -0.748 5.249 0.483) 5.324 3.263 ( 3.711 -2.138 -1.660) 4.593 3.263 ( 3.711 2.138 -1.660) 4.593 3.459 ( -4.363 -7.820 -0.560) 8.972 3.459 ( -4.363 7.820 -0.560) 8.972 3.695 ( 0.441 -7.395 2.859) 7.940 3.695 ( 0.441 7.395 2.859) 7.940 4.124 ( 0.086 -1.504 -0.519) 1.593 4.124 ( 0.086 1.504 -0.519) 1.593 4.440 ( -2.156 -3.482 -1.436) 4.340 4.440 ( -2.156 3.482 -1.436) 4.340 4.767 ( -5.806 -2.192 3.513) 7.132 4.767 ( -5.806 2.192 3.513) 7.132 5.134 ( -1.740 -4.811 -3.905) 6.436 5.134 ( -1.740 4.811 -3.905) 6.436 5.320 ( 0.269 -4.843 0.034) 4.850 5.320 ( 0.269 4.843 0.034) 4.850 5.515 ( 0.417 -7.354 -1.582) 7.534 5.515 ( 0.417 7.354 -1.582) 7.534 5.693 ( -2.487 -5.591 0.504) 6.140 5.693 ( -2.487 5.591 0.504) 6.140 6.023 ( -2.018 -0.394 0.666) 2.161 6.023 ( -2.018 0.394 0.666) 2.161 7.205 ( -1.097 -4.524 0.306) 4.666 7.205 ( -1.097 4.524 0.306) 4.666 8.994 ( -3.458 -1.346 0.190) 3.715 8.994 ( -3.458 1.346 0.190) 3.715 9.198 ( 0.059 -1.734 -0.336) 1.768 9.198 ( 0.059 1.734 -0.336) 1.768 9.433 ( 0.644 -0.535 0.167) 0.854 9.433 ( 0.644 0.535 0.167) 0.854 9.883 ( -0.683 -3.954 -0.379) 4.031 9.883 ( -0.683 3.954 -0.379) 4.031 10.375 ( 1.157 -0.997 0.771) 1.711 10.375 ( 1.157 0.997 0.771) 1.711 10.921 ( 0.947 -0.867 -0.636) 1.433 10.921 ( 0.947 0.867 -0.636) 1.433 11.322 ( -3.630 -4.283 1.626) 5.845 11.322 ( -3.630 4.283 1.626) 5.845 11.631 ( -0.336 -3.657 -1.526) 3.977 11.631 ( -0.336 3.657 -1.526) 3.977 13.078 ( 0.435 -2.875 1.889) 3.467 13.078 ( 0.435 2.875 1.889) 3.467 13.225 ( 0.704 -0.975 -1.827) 2.188 13.225 ( 0.704 0.975 -1.827) 2.188 20.101 ( -0.592 -3.022 -0.131) 3.082 20.101 ( -0.592 3.022 -0.131) 3.082 20.687 ( -0.780 -2.064 -0.574) 2.280 20.687 ( -0.780 2.064 -0.574) 2.280 23.805 ( 0.232 -1.249 -0.340) 1.315 23.805 ( 0.232 1.249 -0.340) 1.315 24.890 ( -1.267 -8.793 0.562) 8.901 24.890 ( -1.267 8.793 0.562) 8.901 26.014 ( -1.290 -1.246 0.159) 1.801 26.014 ( -1.290 1.246 0.159) 1.801 26.444 ( -2.284 -2.124 -0.288) 3.132 26.444 ( -2.284 2.124 -0.288) 3.132 27.240 ( 0.017 -1.663 0.250) 1.681 27.240 ( 0.017 1.663 0.250) 1.681 27.796 ( 1.813 -0.911 -2.111) 2.928 27.796 ( 1.813 0.911 -2.111) 2.928 28.230 ( 0.433 -1.563 -2.614) 3.076 28.230 ( 0.433 1.563 -2.614) 3.076 28.615 ( -0.701 -7.201 5.254) 8.941 28.615 ( -0.701 7.201 5.254) 8.941 38.840 ( 1.880 -0.355 -0.757) 2.058 38.840 ( 1.880 0.355 -0.757) 2.058 39.411 ( 1.261 -3.446 0.323) 3.684 39.411 ( 1.261 3.446 0.323) 3.684 73.381 ( -0.184 -4.164 0.699) 4.226 73.381 ( -0.184 4.164 0.699) 4.226 76.922 ( -13.280 -13.456 -5.286) 19.630 76.922 ( -13.280 13.456 -5.286) 19.630 ======================= Grid point 41 (23/128) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.901 -7.259 5.651) 15.042 1.621 ( 11.901 7.259 5.651) 15.042 1.875 ( 5.430 -3.596 -0.408) 6.525 1.875 ( 5.430 3.596 -0.408) 6.526 1.921 ( 4.903 -2.912 -0.161) 5.705 1.921 ( 4.903 2.912 -0.161) 5.705 2.149 ( -2.741 -3.577 -3.946) 5.990 2.149 ( -2.741 3.577 -3.946) 5.990 2.434 ( -3.844 -3.578 2.778) 5.941 2.434 ( -3.844 3.578 2.778) 5.941 3.001 ( -1.435 -3.960 -0.130) 4.214 3.001 ( -1.435 3.960 -0.130) 4.214 3.295 ( 1.144 -4.307 -1.639) 4.748 3.295 ( 1.144 4.307 -1.639) 4.748 3.408 ( -1.495 -5.626 -1.519) 6.016 3.408 ( -1.495 5.626 -1.519) 6.016 3.722 ( 0.763 -11.001 2.472) 11.301 3.722 ( 0.763 11.001 2.472) 11.301 4.137 ( 2.082 -3.732 -1.445) 4.511 4.137 ( 2.082 3.732 -1.445) 4.511 4.371 ( -4.291 -3.098 -0.105) 5.294 4.371 ( -4.291 3.098 -0.105) 5.294 4.681 ( -5.082 -1.319 3.853) 6.513 4.681 ( -5.082 1.319 3.853) 6.513 5.046 ( -3.551 -6.568 -3.188) 8.119 5.046 ( -3.551 6.569 -3.188) 8.119 5.343 ( 3.339 -6.880 -2.869) 8.168 5.343 ( 3.339 6.880 -2.869) 8.168 5.520 ( -0.364 -4.598 0.099) 4.613 5.520 ( -0.364 4.598 0.099) 4.613 5.679 ( -0.127 -5.984 1.085) 6.083 5.679 ( -0.127 5.984 1.085) 6.083 5.996 ( -1.405 -3.353 1.021) 3.777 5.996 ( -1.405 3.353 1.021) 3.777 7.193 ( -0.421 -2.755 0.072) 2.788 7.193 ( -0.421 2.755 0.072) 2.788 8.942 ( -1.988 -1.106 0.099) 2.277 8.942 ( -1.988 1.106 0.099) 2.277 9.194 ( -0.164 -1.900 -0.273) 1.927 9.194 ( -0.164 1.900 -0.273) 1.927 9.446 ( 0.515 -0.809 0.161) 0.973 9.446 ( 0.515 0.809 0.161) 0.973 9.872 ( -0.292 -3.838 -0.094) 3.850 9.872 ( -0.292 3.838 -0.094) 3.850 10.399 ( 0.816 -0.694 0.581) 1.219 10.399 ( 0.816 0.694 0.581) 1.219 10.921 ( -0.150 -0.871 -0.784) 1.181 10.921 ( -0.150 0.871 -0.784) 1.181 11.280 ( -1.766 -5.105 1.061) 5.505 11.280 ( -1.766 5.105 1.061) 5.505 11.612 ( -0.537 -1.802 -0.830) 2.056 11.612 ( -0.537 1.802 -0.830) 2.056 13.095 ( 0.235 -3.298 1.027) 3.462 13.095 ( 0.235 3.298 1.027) 3.462 13.230 ( 0.606 -0.921 -0.838) 1.385 13.230 ( 0.606 0.921 -0.838) 1.385 20.091 ( -0.353 -3.413 -0.064) 3.432 20.091 ( -0.353 3.413 -0.064) 3.432 20.674 ( -0.349 -2.058 -0.235) 2.101 20.674 ( -0.349 2.058 -0.235) 2.101 23.807 ( 0.203 -1.109 -0.179) 1.141 23.807 ( 0.203 1.109 -0.179) 1.141 24.871 ( -1.014 -9.039 0.421) 9.105 24.871 ( -1.014 9.039 0.421) 9.105 25.995 ( -0.670 -1.618 -0.115) 1.755 25.995 ( -0.670 1.618 -0.115) 1.755 26.410 ( -1.211 -1.789 -0.019) 2.161 26.410 ( -1.211 1.789 -0.019) 2.161 27.245 ( 0.185 -0.805 0.183) 0.846 27.245 ( 0.185 0.805 0.183) 0.846 27.813 ( 1.239 -2.109 -1.222) 2.734 27.813 ( 1.239 2.109 -1.222) 2.734 28.221 ( 0.098 -0.870 -1.387) 1.640 28.221 ( 0.098 0.870 -1.387) 1.640 28.633 ( -0.419 -8.260 2.709) 8.703 28.633 ( -0.419 8.260 2.709) 8.703 38.863 ( 0.925 -0.116 -0.381) 1.007 38.863 ( 0.925 0.116 -0.381) 1.007 39.433 ( 0.724 -3.511 0.208) 3.590 39.433 ( 0.724 3.511 0.208) 3.590 73.382 ( -0.104 -3.453 0.450) 3.484 73.382 ( -0.104 3.453 0.450) 3.484 76.703 ( -6.725 -10.979 -2.403) 13.097 76.703 ( -6.725 10.979 -2.403) 13.097 ======================= Grid point 43 (24/128) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 -8.129 -0.000) 8.129 1.754 ( 0.000 8.129 -0.000) 8.129 1.915 ( 0.000 -0.461 0.000) 0.461 1.915 ( 0.000 0.461 0.000) 0.461 2.034 ( 0.000 -2.456 0.000) 2.456 2.034 ( 0.000 2.456 0.000) 2.456 2.098 ( 0.000 -4.412 0.000) 4.412 2.098 ( 0.000 4.412 0.000) 4.412 2.373 ( 0.000 -5.021 0.000) 5.021 2.373 ( 0.000 5.021 0.000) 5.021 2.986 ( 0.000 -2.849 0.000) 2.849 2.986 ( 0.000 2.849 -0.000) 2.849 3.312 ( -0.000 -11.171 -0.000) 11.171 3.312 ( -0.000 11.171 -0.000) 11.171 3.366 ( 0.000 -4.108 0.000) 4.108 3.366 ( 0.000 4.108 0.000) 4.108 3.747 ( 0.000 -12.453 0.000) 12.453 3.747 ( 0.000 12.453 0.000) 12.453 4.163 ( 0.000 -7.120 -0.000) 7.120 4.163 ( 0.000 7.120 0.000) 7.120 4.314 ( 0.000 -0.923 0.000) 0.923 4.314 ( -0.000 0.923 0.000) 0.923 4.646 ( 0.000 -1.612 0.000) 1.612 4.646 ( 0.000 1.612 0.000) 1.612 4.996 ( 0.000 -6.765 0.000) 6.765 4.996 ( 0.000 6.765 0.000) 6.765 5.373 ( 0.000 -6.723 0.000) 6.723 5.373 ( 0.000 6.723 0.000) 6.723 5.510 ( 0.000 -0.268 0.000) 0.268 5.510 ( 0.000 0.268 0.000) 0.268 5.684 ( 0.000 -5.306 -0.000) 5.306 5.684 ( 0.000 5.306 0.000) 5.306 5.986 ( 0.000 -4.811 0.000) 4.811 5.986 ( 0.000 4.811 0.000) 4.811 7.189 ( 0.000 -1.078 0.000) 1.078 7.189 ( 0.000 1.078 0.000) 1.078 8.923 ( 0.000 -0.845 0.000) 0.845 8.923 ( 0.000 0.845 0.000) 0.845 9.191 ( 0.000 -1.971 0.000) 1.971 9.191 ( 0.000 1.971 0.000) 1.971 9.452 ( 0.000 -0.886 0.000) 0.886 9.452 ( 0.000 0.886 0.000) 0.886 9.869 ( 0.000 -3.800 0.000) 3.800 9.869 ( 0.000 3.800 0.000) 3.800 10.410 ( 0.000 -0.219 0.000) 0.219 10.410 ( 0.000 0.219 0.000) 0.219 10.915 ( 0.000 -0.297 0.000) 0.297 10.915 ( 0.000 0.297 0.000) 0.297 11.268 ( 0.000 -5.437 0.000) 5.437 11.268 ( 0.000 5.437 0.000) 5.437 11.603 ( 0.000 -0.950 0.000) 0.950 11.603 ( 0.000 0.950 0.000) 0.950 13.101 ( 0.000 -3.545 0.000) 3.545 13.101 ( 0.000 3.545 0.000) 3.545 13.233 ( 0.000 -1.202 0.000) 1.202 13.233 ( 0.000 1.202 0.000) 1.202 20.087 ( 0.000 -3.575 0.000) 3.575 20.087 ( 0.000 3.575 0.000) 3.575 20.669 ( 0.000 -2.016 0.000) 2.016 20.669 ( 0.000 2.016 0.000) 2.016 23.809 ( 0.000 -1.061 -0.000) 1.061 23.809 ( 0.000 1.061 0.000) 1.061 24.862 ( 0.000 -9.066 0.000) 9.066 24.862 ( 0.000 9.066 0.000) 9.066 25.988 ( 0.000 -1.590 0.000) 1.590 25.988 ( 0.000 1.590 0.000) 1.590 26.398 ( 0.000 -1.650 0.000) 1.650 26.398 ( 0.000 1.650 -0.000) 1.650 27.247 ( 0.000 -0.243 0.000) 0.243 27.247 ( 0.000 0.243 0.000) 0.243 27.821 ( 0.000 -2.643 0.000) 2.643 27.821 ( 0.000 2.643 0.000) 2.643 28.216 ( 0.000 -0.713 0.000) 0.713 28.216 ( 0.000 0.713 0.000) 0.713 28.638 ( 0.000 -8.518 0.000) 8.518 28.638 ( 0.000 8.518 0.000) 8.518 38.870 ( 0.000 -0.006 -0.000) 0.006 38.870 ( 0.000 0.006 0.000) 0.006 39.441 ( 0.000 -3.525 0.000) 3.525 39.441 ( 0.000 3.525 -0.000) 3.525 73.383 ( 0.000 -3.022 0.000) 3.022 73.383 ( 0.000 3.022 0.000) 3.022 76.631 ( 0.000 -9.817 0.000) 9.817 76.631 ( 0.000 9.817 0.000) 9.817 ======================= Grid point 77 (25/128) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -4.418 0.000 20.998) 21.457 0.470 ( 7.595 0.000 24.593) 25.739 0.719 ( -1.300 0.000 36.897) 36.920 1.767 ( 1.480 0.000 -4.243) 4.494 1.914 ( 4.233 0.000 0.894) 4.327 2.067 ( -0.716 0.000 -6.266) 6.307 2.116 ( -3.499 0.000 -12.569) 13.047 2.475 ( -0.099 0.000 -1.752) 1.754 2.495 ( 1.174 0.000 -1.186) 1.669 2.665 ( -0.061 0.000 -6.759) 6.759 2.858 ( 2.397 0.000 -0.667) 2.488 2.905 ( -5.090 0.000 -2.128) 5.517 3.063 ( 7.205 0.000 1.809) 7.428 3.153 ( 0.600 0.000 1.338) 1.466 3.177 ( -2.844 0.000 4.359) 5.205 3.555 ( 0.659 0.000 -2.546) 2.630 3.752 ( -10.615 0.000 -2.707) 10.955 3.907 ( 5.715 0.000 -4.806) 7.468 3.927 ( 3.653 0.000 7.559) 8.396 4.277 ( -9.231 0.000 0.812) 9.267 4.460 ( -3.998 0.000 4.152) 5.764 4.681 ( -4.849 0.000 3.958) 6.259 4.702 ( 1.925 0.000 2.413) 3.087 4.875 ( 3.838 0.000 2.452) 4.554 5.037 ( -4.337 0.000 -6.767) 8.037 5.102 ( -0.685 0.000 -1.785) 1.912 5.210 ( -2.344 0.000 -1.548) 2.809 5.280 ( 4.410 0.000 2.176) 4.918 5.587 ( 3.236 0.000 -4.649) 5.664 5.604 ( 0.706 0.000 -2.385) 2.487 5.894 ( -5.965 0.000 3.575) 6.954 6.056 ( -2.277 0.000 1.047) 2.506 6.083 ( 34.711 0.000 1.588) 34.747 6.261 ( 3.201 0.000 -1.884) 3.715 7.397 ( 1.357 0.000 1.495) 2.019 7.572 ( -1.168 0.000 -1.063) 1.579 9.064 ( 0.683 0.000 1.130) 1.320 9.165 ( -0.272 0.000 -0.778) 0.825 9.224 ( 0.516 0.000 0.955) 1.085 9.270 ( 0.855 0.000 1.710) 1.911 9.377 ( 0.924 0.000 -2.540) 2.703 9.446 ( -2.420 0.000 -0.553) 2.482 9.988 ( 1.405 0.000 -0.740) 1.587 10.030 ( 3.445 0.000 -3.460) 4.882 10.206 ( 2.225 0.000 4.763) 5.257 10.394 ( -0.635 0.000 -0.273) 0.691 10.893 ( -23.898 0.000 0.336) 23.900 10.953 ( 0.714 0.000 -0.697) 0.998 11.229 ( -8.773 0.000 0.912) 8.821 11.255 ( 2.371 0.000 -0.291) 2.389 11.327 ( -9.179 0.000 1.089) 9.243 11.573 ( 1.635 0.000 -1.970) 2.560 13.036 ( -1.294 0.000 0.953) 1.607 13.105 ( -0.230 0.000 0.351) 0.419 13.154 ( 14.213 0.000 -0.210) 14.214 13.189 ( -0.459 0.000 -0.329) 0.565 20.082 ( -1.304 0.000 0.958) 1.618 20.213 ( 2.836 0.000 -1.110) 3.046 20.374 ( -1.591 0.000 0.571) 1.690 20.466 ( -6.069 0.000 -0.888) 6.133 23.788 ( -0.520 0.000 0.933) 1.068 23.929 ( 0.444 0.000 -1.311) 1.384 25.104 ( -41.047 0.000 0.312) 41.048 25.123 ( 1.824 0.000 0.027) 1.824 26.103 ( 1.586 0.000 0.142) 1.592 26.159 ( -4.436 0.000 -1.548) 4.699 26.306 ( -0.921 0.000 3.395) 3.517 26.607 ( -1.392 0.000 -2.214) 2.615 27.099 ( 7.037 0.000 1.303) 7.156 27.294 ( -0.985 0.000 -2.005) 2.234 27.402 ( -0.672 0.000 2.656) 2.740 27.668 ( 0.595 0.000 -0.528) 0.795 28.167 ( 0.206 0.000 -0.487) 0.528 28.287 ( 1.276 0.000 -5.595) 5.739 28.733 ( -3.760 0.000 6.883) 7.843 29.153 ( 39.964 0.000 -2.158) 40.022 38.750 ( 0.550 0.000 0.776) 0.951 38.857 ( -26.288 0.000 -1.080) 26.311 39.237 ( -2.842 0.000 2.001) 3.475 39.445 ( 1.526 0.000 -1.442) 2.100 73.236 ( -2.847 0.000 1.543) 3.238 73.536 ( 5.065 0.000 -3.822) 6.346 75.662 ( -4.222 0.000 11.634) 12.376 77.031 ( -30.158 0.000 -10.752) 32.018 ======================= Grid point 78 (26/128) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 8.748 0.000 15.512) 17.809 0.876 ( 14.448 0.000 20.610) 25.169 1.219 ( 21.380 0.000 27.910) 35.158 1.804 ( 5.348 0.000 -4.057) 6.713 1.931 ( -3.841 0.000 -15.738) 16.200 2.021 ( 1.992 0.000 -10.216) 10.408 2.024 ( 5.491 0.000 2.446) 6.011 2.346 ( -8.412 0.000 -6.467) 10.610 2.495 ( -1.685 0.000 -0.797) 1.864 2.683 ( 5.106 0.000 -5.374) 7.413 2.753 ( -8.285 0.000 -0.241) 8.289 2.866 ( -2.172 0.000 2.681) 3.450 3.162 ( -0.115 0.000 -2.559) 2.561 3.216 ( 4.605 0.000 1.049) 4.723 3.227 ( 6.492 0.000 2.971) 7.140 3.565 ( 1.986 0.000 -1.096) 2.268 3.633 ( -1.975 0.000 -1.455) 2.453 3.948 ( 0.288 0.000 -7.474) 7.479 4.025 ( -14.152 0.000 3.067) 14.481 4.085 ( 5.307 0.000 8.942) 10.399 4.459 ( 1.804 0.000 1.131) 2.129 4.635 ( -1.385 0.000 0.564) 1.495 4.723 ( -2.130 0.000 2.929) 3.622 4.999 ( 5.780 0.000 3.699) 6.863 5.014 ( 0.824 0.000 0.056) 0.826 5.109 ( -1.762 0.000 1.953) 2.630 5.118 ( -5.082 0.000 -3.366) 6.096 5.381 ( 2.913 0.000 3.977) 4.930 5.533 ( -3.294 0.000 -5.897) 6.754 5.635 ( 3.737 0.000 -2.503) 4.498 5.796 ( 0.020 0.000 -3.336) 3.336 5.974 ( -5.320 0.000 -2.169) 5.745 6.280 ( -1.126 0.000 0.906) 1.445 6.498 ( 12.461 0.000 -14.979) 19.485 7.393 ( -3.223 0.000 2.697) 4.203 7.447 ( -9.416 0.000 -1.061) 9.475 9.055 ( -2.159 0.000 1.479) 2.617 9.128 ( -2.462 0.000 -1.361) 2.813 9.211 ( -1.804 0.000 2.183) 2.832 9.333 ( 2.636 0.000 2.333) 3.520 9.358 ( -0.194 0.000 -3.180) 3.186 9.397 ( -2.662 0.000 1.188) 2.915 9.929 ( -8.516 0.000 1.408) 8.632 10.000 ( 0.286 0.000 0.074) 0.295 10.189 ( -4.598 0.000 6.367) 7.853 10.404 ( 2.151 0.000 -0.831) 2.306 10.702 ( 2.470 0.000 1.421) 2.849 10.965 ( 0.818 0.000 -0.403) 0.911 11.155 ( 0.187 0.000 -1.455) 1.467 11.284 ( 0.059 0.000 1.992) 1.993 11.323 ( 0.008 0.000 4.840) 4.840 11.605 ( 2.305 0.000 -1.022) 2.521 13.028 ( 0.251 0.000 -0.166) 0.301 13.088 ( -1.670 0.000 0.733) 1.824 13.184 ( 0.454 0.000 -0.929) 1.034 13.253 ( 1.265 0.000 -0.016) 1.265 20.056 ( -1.708 0.000 0.125) 1.713 20.270 ( 3.109 0.000 0.778) 3.205 20.359 ( -0.090 0.000 -0.414) 0.424 20.453 ( 2.727 0.000 -1.150) 2.960 23.784 ( -0.519 0.000 0.776) 0.934 23.919 ( -0.418 0.000 -1.244) 1.312 24.657 ( -13.358 0.000 12.770) 18.480 25.181 ( 3.190 0.000 1.974) 3.751 26.052 ( -3.338 0.000 -0.183) 3.343 26.117 ( -1.032 0.000 1.232) 1.607 26.329 ( 0.039 0.000 6.710) 6.710 26.547 ( -2.297 0.000 -3.863) 4.494 27.275 ( 1.232 0.000 -2.782) 3.043 27.276 ( 6.610 0.000 -3.635) 7.544 27.423 ( 1.306 0.000 2.095) 2.469 27.666 ( -0.339 0.000 -0.548) 0.644 28.166 ( 0.188 0.000 -0.421) 0.461 28.264 ( 0.566 0.000 -5.454) 5.483 28.678 ( -6.109 0.000 4.370) 7.511 29.339 ( -4.145 0.000 -2.032) 4.616 38.714 ( 3.581 0.000 -1.069) 3.737 38.787 ( 2.202 0.000 1.685) 2.773 39.231 ( -0.214 0.000 1.235) 1.253 39.475 ( 2.286 0.000 -0.376) 2.317 73.200 ( -1.432 0.000 -0.311) 1.465 73.596 ( 2.855 0.000 -0.709) 2.942 75.717 ( 0.542 0.000 12.447) 12.459 76.955 ( 12.670 0.000 -19.975) 23.654 ======================= Grid point 79 (27/128) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 15.375 0.000 8.134) 17.394 1.249 ( 9.714 0.000 14.730) 17.644 1.758 ( 4.903 0.000 -4.707) 6.797 1.847 ( 18.335 0.000 9.716) 20.750 1.875 ( 2.995 0.000 -15.360) 15.649 1.927 ( 0.789 0.000 -8.930) 8.965 2.144 ( 4.739 0.000 3.108) 5.667 2.230 ( 0.007 0.000 2.560) 2.560 2.417 ( -5.251 0.000 -1.160) 5.377 2.608 ( -6.731 0.000 2.158) 7.068 2.726 ( 2.967 0.000 -5.898) 6.602 2.832 ( -4.072 0.000 4.734) 6.244 3.117 ( -0.365 0.000 -6.369) 6.380 3.336 ( 3.000 0.000 2.417) 3.853 3.353 ( 6.997 0.000 4.221) 8.172 3.522 ( -11.805 0.000 -5.572) 13.054 3.628 ( 3.001 0.000 -3.086) 4.304 3.743 ( -0.803 0.000 0.177) 0.822 3.989 ( -2.822 0.000 6.309) 6.911 4.206 ( 0.588 0.000 5.927) 5.956 4.529 ( 5.543 0.000 -2.319) 6.008 4.641 ( 1.994 0.000 -1.807) 2.691 4.670 ( -4.502 0.000 1.937) 4.901 4.980 ( -5.047 0.000 -4.848) 6.998 5.001 ( -11.100 0.000 5.668) 12.463 5.068 ( 1.916 0.000 5.469) 5.795 5.138 ( 5.600 0.000 3.426) 6.565 5.395 ( -6.365 0.000 -4.571) 7.836 5.446 ( 0.540 0.000 4.313) 4.347 5.671 ( 1.148 0.000 -3.960) 4.123 5.858 ( -2.966 0.000 -4.332) 5.250 5.859 ( 9.854 0.000 -9.100) 13.413 6.234 ( -4.849 0.000 2.775) 5.587 6.491 ( -1.082 0.000 -9.627) 9.687 7.237 ( -10.813 0.000 -2.474) 11.092 7.322 ( -6.006 0.000 2.841) 6.644 9.022 ( -1.583 0.000 -0.059) 1.584 9.067 ( -2.519 0.000 -1.524) 2.945 9.198 ( -1.376 0.000 2.645) 2.981 9.339 ( 0.293 0.000 -1.709) 1.734 9.365 ( -1.331 0.000 -0.040) 1.332 9.383 ( 0.522 0.000 2.700) 2.750 9.818 ( -4.220 0.000 0.635) 4.267 10.004 ( -0.072 0.000 0.390) 0.397 10.177 ( -1.128 0.000 3.936) 4.094 10.457 ( 3.830 0.000 -0.930) 3.941 10.778 ( 3.929 0.000 -0.345) 3.944 10.975 ( 0.502 0.000 -0.604) 0.785 11.165 ( 1.883 0.000 -2.540) 3.161 11.294 ( -0.844 0.000 3.560) 3.658 11.360 ( -0.256 0.000 5.282) 5.288 11.616 ( -1.141 0.000 -0.647) 1.311 13.048 ( 2.526 0.000 -1.331) 2.855 13.062 ( -1.923 0.000 1.577) 2.487 13.191 ( 1.032 0.000 -1.331) 1.684 13.272 ( 0.659 0.000 0.529) 0.845 20.024 ( -1.472 0.000 -0.269) 1.497 20.336 ( 1.475 0.000 3.954) 4.220 20.363 ( 2.165 0.000 -3.189) 3.855 20.501 ( 2.969 0.000 -1.292) 3.238 23.780 ( -0.414 0.000 0.619) 0.745 23.897 ( -0.960 0.000 -1.053) 1.425 24.592 ( -3.866 0.000 8.171) 9.039 25.258 ( 2.556 0.000 3.020) 3.956 26.019 ( -0.273 0.000 -0.620) 0.677 26.069 ( -4.450 0.000 0.044) 4.450 26.370 ( -0.935 0.000 5.948) 6.021 26.477 ( -1.684 0.000 -4.234) 4.557 27.312 ( 4.068 0.000 -1.196) 4.240 27.336 ( 2.601 0.000 -0.835) 2.732 27.468 ( 1.903 0.000 0.553) 1.982 27.653 ( -0.296 0.000 -0.497) 0.579 28.171 ( 0.588 0.000 -0.278) 0.651 28.232 ( 0.052 0.000 -4.634) 4.634 28.576 ( -6.392 0.000 1.407) 6.545 29.217 ( -6.840 0.000 0.778) 6.884 38.794 ( 5.528 0.000 -3.573) 6.582 38.849 ( 2.605 0.000 1.981) 3.272 39.239 ( 0.109 0.000 1.316) 1.320 39.519 ( 2.018 0.000 0.548) 2.091 73.182 ( 0.282 0.000 -1.548) 1.573 73.629 ( 0.008 0.000 2.064) 2.064 75.845 ( 2.777 0.000 12.381) 12.688 76.975 ( 4.868 0.000 -19.708) 20.300 ======================= Grid point 80 (28/128) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 15.674 0.000 2.468) 15.868 1.384 ( -1.188 0.000 -1.512) 1.923 1.758 ( 2.620 0.000 -7.705) 8.138 1.764 ( 6.910 0.000 -8.802) 11.190 2.002 ( 5.984 0.000 -5.932) 8.426 2.164 ( -0.790 0.000 6.128) 6.179 2.296 ( 1.716 0.000 6.201) 6.434 2.300 ( -4.830 0.000 -0.297) 4.839 2.390 ( 18.334 0.000 7.378) 19.763 2.545 ( -2.437 0.000 4.693) 5.288 2.715 ( 0.752 0.000 -5.624) 5.674 2.780 ( -4.147 0.000 3.296) 5.297 3.085 ( 0.775 0.000 -3.115) 3.210 3.164 ( -15.612 0.000 -6.858) 17.052 3.397 ( 1.654 0.000 1.612) 2.310 3.513 ( 5.480 0.000 5.686) 7.896 3.693 ( 7.019 0.000 -6.464) 9.542 3.857 ( 5.582 0.000 4.776) 7.346 3.960 ( -4.212 0.000 7.358) 8.478 4.170 ( -5.863 0.000 -0.242) 5.868 4.592 ( -3.396 0.000 -5.726) 6.657 4.604 ( -5.134 0.000 4.945) 7.128 4.634 ( 4.836 0.000 -3.466) 5.949 4.840 ( -8.432 0.000 4.656) 9.632 4.931 ( 3.707 0.000 -1.340) 3.942 5.114 ( -4.368 0.000 7.855) 8.988 5.246 ( -4.217 0.000 -3.532) 5.501 5.261 ( 4.898 0.000 2.513) 5.505 5.480 ( 0.154 0.000 3.277) 3.280 5.601 ( -2.903 0.000 -6.782) 7.377 5.825 ( 1.424 0.000 -4.199) 4.434 5.988 ( 9.606 0.000 -8.043) 12.529 6.155 ( -5.400 0.000 3.810) 6.609 6.376 ( -4.197 0.000 -5.962) 7.291 7.025 ( -8.682 0.000 -2.963) 9.173 7.218 ( -6.561 0.000 2.140) 6.901 8.999 ( -0.228 0.000 -1.390) 1.408 9.020 ( -1.281 0.000 -1.210) 1.762 9.196 ( -0.849 0.000 2.451) 2.593 9.341 ( -1.182 0.000 0.023) 1.183 9.347 ( 1.665 0.000 -1.481) 2.229 9.392 ( -1.532 0.000 2.663) 3.072 9.762 ( -1.873 0.000 -0.709) 2.003 10.002 ( -0.275 0.000 -0.141) 0.309 10.193 ( -0.074 0.000 3.374) 3.375 10.526 ( 3.713 0.000 -0.562) 3.755 10.840 ( 2.505 0.000 0.738) 2.611 10.977 ( 0.283 0.000 -0.685) 0.741 11.180 ( 1.878 0.000 -3.369) 3.857 11.311 ( -0.302 0.000 4.309) 4.319 11.385 ( -1.290 0.000 5.389) 5.541 11.545 ( -4.910 0.000 -2.215) 5.386 13.039 ( -1.867 0.000 2.014) 2.746 13.100 ( 3.857 0.000 -1.519) 4.145 13.200 ( 1.040 0.000 -1.705) 1.997 13.286 ( 0.614 0.000 -0.207) 0.648 20.000 ( -0.953 0.000 0.012) 0.953 20.354 ( -0.156 0.000 -0.183) 0.241 20.414 ( 3.111 0.000 0.571) 3.163 20.544 ( 2.223 0.000 -0.679) 2.324 23.777 ( -0.293 0.000 0.523) 0.600 23.871 ( -0.975 0.000 -0.823) 1.276 24.591 ( -2.199 0.000 6.533) 6.893 25.304 ( -0.017 0.000 2.137) 2.137 25.974 ( -3.976 0.000 -1.770) 4.353 26.021 ( 0.881 0.000 -0.973) 1.313 26.374 ( -2.538 0.000 4.407) 5.086 26.427 ( -0.564 0.000 -3.475) 3.520 27.380 ( 2.191 0.000 0.501) 2.247 27.389 ( 3.332 0.000 0.717) 3.408 27.497 ( 0.856 0.000 0.254) 0.893 27.661 ( 1.408 0.000 0.407) 1.466 28.185 ( 1.048 0.000 -0.163) 1.060 28.201 ( -0.196 0.000 -3.309) 3.314 28.473 ( -4.468 0.000 -0.384) 4.485 29.103 ( -5.091 0.000 -0.654) 5.133 38.862 ( 3.987 0.000 -2.566) 4.742 38.907 ( 2.004 0.000 1.490) 2.497 39.254 ( 0.329 0.000 1.533) 1.568 39.552 ( 0.882 0.000 0.631) 1.085 73.191 ( 1.914 0.000 -1.685) 2.550 73.622 ( -2.733 0.000 2.978) 4.042 75.980 ( 2.079 0.000 10.948) 11.143 76.892 ( 0.313 0.000 -13.883) 13.886 ======================= Grid point 81 (29/128) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.824 0.000 -4.509) 4.864 1.489 ( 12.967 0.000 -3.564) 13.448 1.801 ( 2.201 0.000 0.834) 2.354 1.886 ( 9.228 0.000 -2.133) 9.472 2.022 ( 2.232 0.000 -9.973) 10.220 2.107 ( -5.479 0.000 -1.823) 5.774 2.213 ( -6.314 0.000 5.657) 8.477 2.372 ( 0.913 0.000 7.422) 7.478 2.555 ( -1.995 0.000 6.078) 6.397 2.675 ( 2.013 0.000 2.448) 3.169 2.694 ( 0.737 0.000 -2.704) 2.803 2.792 ( 7.643 0.000 2.525) 8.049 2.902 ( -6.848 0.000 -2.626) 7.335 3.080 ( -0.895 0.000 -0.091) 0.900 3.437 ( 2.279 0.000 -1.222) 2.586 3.630 ( 2.874 0.000 1.864) 3.426 3.745 ( 2.244 0.000 -7.252) 7.592 3.838 ( -7.882 0.000 5.809) 9.792 4.071 ( 5.790 0.000 3.944) 7.005 4.077 ( 0.951 0.000 -2.785) 2.943 4.426 ( -5.432 0.000 -4.121) 6.818 4.536 ( -6.053 0.000 6.067) 8.570 4.729 ( 5.808 0.000 -2.362) 6.270 4.750 ( -6.296 0.000 5.776) 8.544 5.017 ( -6.100 0.000 0.645) 6.134 5.033 ( 5.060 0.000 1.124) 5.183 5.196 ( -2.550 0.000 3.185) 4.080 5.354 ( 3.552 0.000 1.103) 3.719 5.501 ( 0.029 0.000 1.030) 1.030 5.507 ( -1.803 0.000 -6.227) 6.483 5.817 ( 1.189 0.000 -4.293) 4.454 6.090 ( 6.434 0.000 -6.815) 9.372 6.099 ( -3.292 0.000 3.568) 4.855 6.269 ( -2.849 0.000 -3.656) 4.635 6.890 ( -3.401 0.000 -1.089) 3.571 7.116 ( -5.099 0.000 0.846) 5.169 8.994 ( 0.867 0.000 -1.737) 1.941 8.999 ( -0.158 0.000 -0.921) 0.935 9.197 ( -0.776 0.000 1.669) 1.841 9.320 ( -0.539 0.000 -1.023) 1.156 9.371 ( -2.312 0.000 2.471) 3.384 9.381 ( 2.014 0.000 0.880) 2.198 9.732 ( -0.639 0.000 -1.179) 1.341 9.988 ( -0.557 0.000 -1.584) 1.679 10.219 ( -0.103 0.000 3.886) 3.887 10.583 ( 2.381 0.000 0.045) 2.382 10.884 ( 1.207 0.000 1.448) 1.885 10.979 ( 0.388 0.000 -0.311) 0.498 11.186 ( 1.509 0.000 -3.963) 4.241 11.336 ( -0.862 0.000 2.019) 2.195 11.391 ( -2.013 0.000 5.184) 5.561 11.427 ( -3.873 0.000 -2.314) 4.511 13.019 ( -1.688 0.000 1.906) 2.546 13.161 ( 3.068 0.000 -0.843) 3.182 13.205 ( 0.945 0.000 -2.034) 2.243 13.290 ( 0.249 0.000 -1.066) 1.094 19.991 ( -0.275 0.000 0.821) 0.866 20.338 ( -0.418 0.000 -2.543) 2.578 20.471 ( 1.820 0.000 1.947) 2.665 20.574 ( 1.274 0.000 -0.230) 1.295 23.777 ( -0.182 0.000 0.482) 0.515 23.851 ( -0.489 0.000 -0.619) 0.789 24.598 ( -1.985 0.000 6.152) 6.465 25.289 ( -1.732 0.000 -0.602) 1.834 25.915 ( -0.919 0.000 -1.322) 1.610 26.032 ( 1.054 0.000 -1.292) 1.667 26.345 ( -3.030 0.000 2.688) 4.050 26.407 ( 0.647 0.000 -2.220) 2.312 27.420 ( 1.255 0.000 0.866) 1.525 27.432 ( 0.835 0.000 0.659) 1.064 27.510 ( 0.361 0.000 0.631) 0.727 27.700 ( 1.261 0.000 0.999) 1.609 28.183 ( 0.318 0.000 -1.462) 1.496 28.203 ( 0.816 0.000 -0.282) 0.863 28.414 ( -1.371 0.000 0.064) 1.372 29.015 ( -2.964 0.000 -2.723) 4.025 38.910 ( 2.500 0.000 -1.191) 2.769 38.943 ( 0.867 0.000 0.675) 1.099 39.273 ( 0.264 0.000 2.000) 2.018 39.560 ( -0.184 0.000 -0.194) 0.268 73.227 ( 2.644 0.000 -0.437) 2.680 73.571 ( -4.114 0.000 1.466) 4.367 76.071 ( -0.245 0.000 8.754) 8.757 76.819 ( 1.240 0.000 -8.426) 8.516 ======================= Grid point 82 (30/128) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 3.900 0.000 2.012) 4.388 1.652 ( 8.039 0.000 -6.382) 10.265 1.849 ( 2.975 0.000 2.079) 3.629 1.922 ( -12.054 0.000 -1.349) 12.129 1.969 ( 1.316 0.000 -11.477) 11.552 2.061 ( 8.880 0.000 -0.864) 8.922 2.161 ( -3.546 0.000 6.854) 7.717 2.413 ( -2.332 0.000 5.569) 6.038 2.525 ( -4.471 0.000 4.189) 6.127 2.658 ( -2.815 0.000 0.695) 2.899 2.722 ( 2.540 0.000 1.582) 2.992 2.882 ( -3.853 0.000 -2.586) 4.640 2.893 ( 4.874 0.000 3.643) 6.086 3.073 ( 2.164 0.000 2.365) 3.206 3.448 ( -0.219 0.000 -3.612) 3.619 3.544 ( -6.292 0.000 -8.317) 10.429 3.729 ( -5.334 0.000 2.224) 5.779 3.802 ( 5.946 0.000 -0.034) 5.946 4.055 ( -5.501 0.000 -3.955) 6.776 4.174 ( 8.844 0.000 -2.311) 9.141 4.469 ( -5.846 0.000 5.258) 7.862 4.473 ( 7.434 0.000 6.616) 9.952 4.665 ( -5.938 0.000 6.022) 8.457 4.807 ( 3.073 0.000 0.060) 3.073 4.924 ( -3.631 0.000 -2.000) 4.146 5.100 ( 0.443 0.000 2.211) 2.255 5.209 ( 1.451 0.000 4.869) 5.081 5.423 ( -3.318 0.000 1.198) 3.527 5.433 ( 5.241 0.000 -6.532) 8.375 5.477 ( -2.300 0.000 -2.083) 3.103 5.824 ( 2.429 0.000 -3.152) 3.979 6.073 ( -1.906 0.000 2.499) 3.143 6.131 ( 3.760 0.000 -7.275) 8.190 6.228 ( 0.414 0.000 -1.830) 1.876 6.886 ( 2.417 0.000 1.931) 3.093 7.046 ( -1.894 0.000 -1.045) 2.163 8.997 ( 0.555 0.000 -0.812) 0.984 9.005 ( 1.452 0.000 -1.544) 2.120 9.185 ( -1.489 0.000 0.596) 1.604 9.307 ( -0.279 0.000 -0.437) 0.519 9.351 ( -1.401 0.000 2.119) 2.540 9.432 ( 1.990 0.000 2.572) 3.252 9.719 ( 0.258 0.000 -1.286) 1.311 9.960 ( -0.471 0.000 -3.210) 3.244 10.243 ( -0.812 0.000 4.880) 4.947 10.612 ( 0.377 0.000 0.352) 0.516 10.908 ( 0.048 0.000 2.106) 2.106 10.988 ( 0.624 0.000 0.317) 0.700 11.183 ( 1.474 0.000 -4.463) 4.700 11.252 ( -3.928 0.000 -5.186) 6.506 11.386 ( -2.390 0.000 4.909) 5.460 11.437 ( 2.283 0.000 2.541) 3.416 13.004 ( -1.230 0.000 1.468) 1.915 13.186 ( 0.119 0.000 -0.845) 0.854 13.218 ( 1.696 0.000 -1.144) 2.045 13.277 ( -0.422 0.000 -2.047) 2.091 20.001 ( 0.347 0.000 1.843) 1.875 20.302 ( -0.825 0.000 -3.944) 4.029 20.508 ( 0.400 0.000 2.231) 2.267 20.588 ( 0.294 0.000 0.007) 0.294 23.777 ( -0.112 0.000 0.490) 0.503 23.845 ( 0.274 0.000 -0.500) 0.571 24.607 ( -1.829 0.000 6.627) 6.875 25.248 ( -0.816 0.000 -3.065) 3.172 25.911 ( 0.820 0.000 -0.194) 0.843 26.038 ( 0.568 0.000 -1.615) 1.712 26.306 ( -2.409 0.000 1.037) 2.622 26.419 ( 1.776 0.000 -0.852) 1.969 27.432 ( -0.576 0.000 0.581) 0.819 27.443 ( 0.038 0.000 0.702) 0.703 27.529 ( 0.784 0.000 1.829) 1.990 27.699 ( -1.504 0.000 -0.604) 1.621 28.197 ( 1.598 0.000 0.018) 1.598 28.207 ( -0.080 0.000 -0.566) 0.572 28.421 ( 1.019 0.000 2.402) 2.609 28.950 ( -0.949 0.000 -5.163) 5.249 38.943 ( 1.540 0.000 -0.023) 1.540 38.948 ( -0.564 0.000 -0.034) 0.565 39.291 ( -0.206 0.000 2.851) 2.858 39.545 ( -0.685 0.000 -1.358) 1.521 73.278 ( 1.970 0.000 1.890) 2.730 73.497 ( -3.351 0.000 -1.594) 3.711 76.096 ( -3.263 0.000 7.074) 7.791 76.837 ( 5.987 0.000 -4.361) 7.407 ======================= Grid point 83 (31/128) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -5.324 0.000 0.114) 5.326 1.600 ( -17.320 0.000 1.037) 17.351 1.751 ( 5.160 0.000 -8.752) 10.160 1.912 ( 2.120 0.000 -9.997) 10.219 2.006 ( 9.726 0.000 5.006) 10.939 2.138 ( -2.994 0.000 4.003) 4.998 2.229 ( 6.570 0.000 1.479) 6.735 2.358 ( -6.878 0.000 4.536) 8.239 2.489 ( -1.529 0.000 3.665) 3.971 2.540 ( -11.406 0.000 -2.823) 11.750 2.706 ( -7.066 0.000 -1.181) 7.165 2.787 ( 2.005 0.000 2.160) 2.947 3.097 ( 11.163 0.000 6.813) 13.077 3.156 ( 3.050 0.000 2.761) 4.114 3.362 ( -4.148 0.000 -4.730) 6.291 3.372 ( -4.775 0.000 -8.117) 9.418 3.700 ( 1.408 0.000 -1.798) 2.284 3.905 ( 4.215 0.000 -0.134) 4.217 3.925 ( -5.025 0.000 -1.147) 5.154 4.300 ( -2.525 0.000 6.435) 6.912 4.393 ( 1.771 0.000 -1.721) 2.470 4.660 ( 2.125 0.000 1.438) 2.566 4.666 ( 6.185 0.000 5.471) 8.258 4.845 ( 0.093 0.000 3.069) 3.070 4.856 ( -1.394 0.000 -1.854) 2.319 5.097 ( -2.683 0.000 4.774) 5.476 5.304 ( 3.883 0.000 4.587) 6.010 5.313 ( -6.697 0.000 -0.405) 6.709 5.403 ( -2.436 0.000 -3.602) 4.348 5.549 ( 9.601 0.000 -5.509) 11.069 5.848 ( 1.584 0.000 -1.902) 2.475 6.063 ( -0.794 0.000 2.128) 2.271 6.150 ( 3.870 0.000 -6.722) 7.757 6.232 ( 1.472 0.000 -3.572) 3.863 6.992 ( 6.147 0.000 3.425) 7.037 7.035 ( 2.363 0.000 -3.126) 3.919 9.009 ( 1.399 0.000 -0.684) 1.558 9.023 ( 1.494 0.000 -1.438) 2.074 9.154 ( -1.666 0.000 -0.160) 1.673 9.303 ( -0.074 0.000 0.510) 0.516 9.348 ( -0.479 0.000 1.325) 1.409 9.488 ( 1.110 0.000 4.313) 4.453 9.722 ( 0.956 0.000 -1.094) 1.453 9.930 ( 0.340 0.000 -4.043) 4.057 10.255 ( -2.070 0.000 5.702) 6.066 10.599 ( -1.797 0.000 -0.071) 1.799 10.926 ( -0.106 0.000 3.901) 3.902 11.002 ( 0.249 0.000 0.664) 0.709 11.164 ( -0.989 0.000 -5.256) 5.349 11.176 ( 1.440 0.000 -5.046) 5.248 11.372 ( -2.734 0.000 4.815) 5.537 11.503 ( 2.943 0.000 1.081) 3.135 12.996 ( -0.492 0.000 0.952) 1.071 13.170 ( -1.070 0.000 -0.549) 1.202 13.234 ( 0.392 0.000 -0.241) 0.460 13.243 ( -1.189 0.000 -3.315) 3.522 20.028 ( 0.653 0.000 2.708) 2.786 20.254 ( -0.853 0.000 -4.595) 4.673 20.517 ( -1.105 0.000 2.089) 2.363 20.587 ( -0.384 0.000 0.191) 0.429 23.779 ( -0.083 0.000 0.547) 0.553 23.854 ( 1.042 0.000 -0.527) 1.167 24.630 ( -1.361 0.000 8.576) 8.683 25.216 ( 0.166 0.000 -4.355) 4.358 25.937 ( 1.834 0.000 0.063) 1.835 26.029 ( -0.141 0.000 -2.024) 2.029 26.270 ( -1.599 0.000 -0.438) 1.658 26.460 ( 2.689 0.000 0.381) 2.716 27.413 ( -1.631 0.000 0.504) 1.707 27.443 ( -0.873 0.000 1.126) 1.425 27.562 ( 0.660 0.000 3.347) 3.412 27.652 ( -1.980 0.000 -1.629) 2.564 28.194 ( -0.683 0.000 -0.656) 0.947 28.234 ( 2.190 0.000 -0.408) 2.227 28.480 ( 2.053 0.000 5.001) 5.406 28.896 ( 0.336 0.000 -8.664) 8.671 38.921 ( -2.014 0.000 -0.488) 2.073 38.972 ( 1.220 0.000 0.987) 1.570 39.306 ( -0.950 0.000 4.151) 4.258 39.518 ( -0.753 0.000 -2.322) 2.441 73.322 ( 0.070 0.000 4.395) 4.396 73.431 ( -0.923 0.000 -4.724) 4.814 76.052 ( -6.486 0.000 6.627) 9.273 76.990 ( 12.288 0.000 -1.441) 12.373 ======================= Grid point 84 (32/128) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -14.523 0.000 -3.357) 14.906 1.229 ( -20.641 0.000 -0.781) 20.655 1.800 ( 4.926 0.000 -7.074) 8.620 1.887 ( 2.769 0.000 -9.542) 9.936 1.961 ( -21.426 0.000 1.957) 21.516 2.231 ( -1.735 0.000 1.982) 2.634 2.256 ( 4.337 0.000 4.675) 6.377 2.276 ( -3.652 0.000 -0.910) 3.763 2.373 ( 1.571 0.000 3.642) 3.966 2.542 ( 2.684 0.000 8.381) 8.800 2.650 ( 0.806 0.000 -0.708) 1.073 2.802 ( -1.347 0.000 -0.612) 1.479 3.185 ( -1.311 0.000 -4.189) 4.389 3.225 ( -1.334 0.000 -4.556) 4.747 3.287 ( 1.085 0.000 -0.949) 1.441 3.414 ( 11.520 0.000 4.083) 12.222 3.691 ( -1.285 0.000 -3.714) 3.930 3.905 ( 3.447 0.000 3.666) 5.032 3.936 ( -2.738 0.000 3.235) 4.238 4.188 ( -8.925 0.000 6.459) 11.017 4.532 ( 10.100 0.000 -2.377) 10.376 4.695 ( 1.789 0.000 -4.777) 5.101 4.748 ( 0.098 0.000 2.636) 2.637 4.847 ( -4.704 0.000 5.595) 7.309 4.882 ( 4.927 0.000 0.985) 5.025 5.102 ( -1.254 0.000 6.800) 6.914 5.174 ( -6.606 0.000 -0.426) 6.620 5.334 ( -1.088 0.000 -2.540) 2.763 5.421 ( 4.133 0.000 2.717) 4.946 5.700 ( 9.223 0.000 -4.299) 10.175 5.846 ( 0.162 0.000 -2.596) 2.601 6.083 ( 1.471 0.000 1.935) 2.431 6.173 ( -0.528 0.000 1.475) 1.566 6.219 ( 5.184 0.000 -16.935) 17.711 7.091 ( 6.171 0.000 -4.038) 7.374 7.152 ( 7.814 0.000 3.152) 8.426 9.037 ( 1.123 0.000 -1.752) 2.081 9.043 ( 2.580 0.000 -0.551) 2.639 9.129 ( -0.567 0.000 -0.401) 0.695 9.311 ( 0.186 0.000 1.322) 1.335 9.344 ( -0.706 0.000 0.475) 0.851 9.530 ( -0.659 0.000 5.399) 5.439 9.740 ( 1.331 0.000 0.052) 1.332 9.919 ( 1.497 0.000 -3.793) 4.078 10.245 ( -3.410 0.000 5.738) 6.675 10.548 ( -3.122 0.000 -0.612) 3.182 10.976 ( 1.274 0.000 8.091) 8.191 11.000 ( -0.799 0.000 -0.019) 0.799 11.140 ( 1.816 0.000 -4.002) 4.394 11.161 ( 0.981 0.000 -5.478) 5.565 11.353 ( -2.999 0.000 5.043) 5.867 11.556 ( 2.277 0.000 -0.647) 2.367 12.998 ( 0.234 0.000 0.158) 0.282 13.139 ( -2.128 0.000 0.351) 2.157 13.185 ( -1.775 0.000 -4.641) 4.969 13.232 ( -0.514 0.000 0.136) 0.532 20.061 ( 0.467 0.000 3.076) 3.111 20.208 ( -0.319 0.000 -4.504) 4.516 20.498 ( -2.381 0.000 1.779) 2.972 20.581 ( -0.415 0.000 0.501) 0.651 23.782 ( -0.091 0.000 0.661) 0.667 23.875 ( 1.575 0.000 -0.706) 1.726 24.691 ( -0.257 0.000 13.546) 13.549 25.185 ( -0.225 0.000 -4.500) 4.505 25.979 ( 2.711 0.000 -0.640) 2.785 26.004 ( -0.594 0.000 -2.948) 3.007 26.236 ( -1.387 0.000 -1.170) 1.815 26.522 ( 3.098 0.000 1.181) 3.316 27.387 ( -1.429 0.000 1.008) 1.748 27.420 ( -2.503 0.000 1.369) 2.853 27.599 ( -0.068 0.000 4.991) 4.991 27.620 ( 0.112 0.000 -1.514) 1.518 28.178 ( -0.520 0.000 -0.446) 0.685 28.268 ( 2.207 0.000 -1.911) 2.920 28.565 ( 2.207 0.000 6.812) 7.161 28.823 ( 0.213 0.000 -14.204) 14.205 38.868 ( -2.990 0.000 -0.675) 3.065 39.008 ( 1.674 0.000 1.869) 2.509 39.317 ( -1.675 0.000 6.106) 6.332 39.485 ( -0.615 0.000 -2.790) 2.857 73.341 ( -2.148 0.000 5.958) 6.333 73.400 ( 2.088 0.000 -6.758) 7.073 75.952 ( -9.200 0.000 7.369) 11.788 77.275 ( 17.553 0.000 0.683) 17.566 ======================= Grid point 85 (33/128) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -21.190 0.000 -1.664) 21.255 0.836 ( -20.476 0.000 -3.009) 20.696 1.438 ( -32.780 0.000 7.819) 33.700 1.842 ( 3.184 0.000 -6.130) 6.908 1.866 ( 0.444 0.000 -6.348) 6.364 2.132 ( -3.385 0.000 -0.191) 3.391 2.245 ( -0.529 0.000 0.437) 0.686 2.434 ( 7.121 0.000 0.089) 7.122 2.440 ( 2.477 0.000 1.781) 3.051 2.668 ( 2.139 0.000 6.545) 6.885 2.713 ( 4.969 0.000 1.444) 5.175 2.753 ( -0.248 0.000 -1.716) 1.734 3.109 ( -1.255 0.000 -5.406) 5.550 3.163 ( -1.760 0.000 -4.322) 4.666 3.331 ( 1.603 0.000 0.410) 1.654 3.573 ( 1.147 0.000 -1.269) 1.711 3.689 ( 6.703 0.000 -2.289) 7.083 3.861 ( -7.224 0.000 6.503) 9.720 4.083 ( -7.015 0.000 4.267) 8.211 4.084 ( 9.624 0.000 6.909) 11.847 4.644 ( 1.290 0.000 -1.965) 2.350 4.729 ( -10.031 0.000 6.375) 11.885 4.754 ( -3.136 0.000 4.561) 5.536 4.775 ( 13.118 0.000 -3.566) 13.594 5.005 ( -7.062 0.000 -1.821) 7.293 5.020 ( 7.066 0.000 3.828) 8.036 5.183 ( 1.387 0.000 4.607) 4.811 5.289 ( -1.598 0.000 -3.386) 3.745 5.523 ( 4.690 0.000 1.611) 4.959 5.741 ( -3.263 0.000 -0.985) 3.408 5.905 ( 8.659 0.000 -3.629) 9.389 6.079 ( -5.126 0.000 -14.557) 15.433 6.140 ( 3.363 0.000 0.195) 3.369 6.195 ( 2.358 0.000 -13.267) 13.475 7.201 ( 7.701 0.000 -2.893) 8.226 7.326 ( 8.148 0.000 2.666) 8.573 9.039 ( 0.587 0.000 -2.100) 2.180 9.095 ( 3.176 0.000 -0.754) 3.264 9.133 ( 1.274 0.000 0.070) 1.276 9.325 ( -1.559 0.000 0.117) 1.563 9.329 ( 0.568 0.000 1.507) 1.611 9.534 ( -2.832 0.000 4.686) 5.476 9.778 ( 1.637 0.000 3.366) 3.743 9.931 ( 2.294 0.000 -2.866) 3.671 10.213 ( -3.788 0.000 4.972) 6.251 10.482 ( -3.172 0.000 -0.481) 3.208 10.977 ( -1.022 0.000 -0.994) 1.426 11.099 ( 2.653 0.000 10.140) 10.482 11.141 ( 1.746 0.000 -1.530) 2.321 11.163 ( 3.018 0.000 -2.991) 4.249 11.340 ( -2.246 0.000 6.823) 7.183 11.578 ( 0.952 0.000 -1.769) 2.009 12.994 ( -0.396 0.000 -3.053) 3.078 13.098 ( -2.598 0.000 1.098) 2.820 13.118 ( -1.456 0.000 -3.614) 3.896 13.220 ( -0.902 0.000 0.339) 0.964 20.086 ( -0.162 0.000 2.732) 2.737 20.181 ( 0.686 0.000 -3.784) 3.846 20.457 ( -3.013 0.000 1.430) 3.335 20.584 ( 0.317 0.000 0.665) 0.737 23.785 ( -0.149 0.000 0.836) 0.849 23.901 ( 1.677 0.000 -0.968) 1.937 24.851 ( 3.935 0.000 25.112) 25.418 25.144 ( -0.750 0.000 -3.595) 3.672 25.961 ( -1.064 0.000 -4.769) 4.886 26.026 ( 2.879 0.000 -1.425) 3.212 26.204 ( -1.230 0.000 -0.224) 1.250 26.586 ( 2.509 0.000 1.104) 2.741 27.376 ( -2.761 0.000 0.897) 2.903 27.379 ( -0.432 0.000 1.694) 1.748 27.629 ( 1.481 0.000 -1.059) 1.821 27.633 ( -0.512 0.000 5.723) 5.746 28.170 ( -0.061 0.000 -0.111) 0.127 28.289 ( 2.106 0.000 -3.592) 4.164 28.655 ( 1.369 0.000 7.828) 7.947 28.673 ( -2.995 0.000 -21.708) 21.914 38.805 ( -2.919 0.000 -0.567) 2.974 39.067 ( 3.175 0.000 1.491) 3.508 39.338 ( -1.688 0.000 9.152) 9.306 39.456 ( -0.259 0.000 -2.720) 2.733 73.328 ( -3.701 0.000 5.856) 6.928 73.413 ( 4.648 0.000 -7.208) 8.577 75.821 ( -10.289 0.000 8.819) 13.551 77.640 ( 19.748 0.000 -0.868) 19.767 ======================= Grid point 86 (34/128) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -17.888 0.000 6.871) 19.162 0.448 ( -18.507 0.000 8.088) 20.197 0.904 ( -32.367 0.000 21.918) 39.090 1.806 ( -1.869 0.000 -4.218) 4.614 1.857 ( 2.605 0.000 -3.039) 4.003 2.107 ( 0.579 0.000 -3.042) 3.097 2.223 ( -0.805 0.000 -5.335) 5.395 2.477 ( -0.135 0.000 -2.485) 2.489 2.489 ( 1.517 0.000 0.137) 1.523 2.704 ( 0.500 0.000 -0.404) 0.643 2.811 ( 3.461 0.000 -0.306) 3.474 2.836 ( 7.876 0.000 -0.316) 7.882 3.081 ( -4.185 0.000 -2.860) 5.069 3.099 ( 2.621 0.000 0.678) 2.707 3.294 ( -5.965 0.000 -1.393) 6.126 3.563 ( 0.315 0.000 -1.867) 1.894 3.813 ( 7.651 0.000 -4.475) 8.864 3.833 ( 0.393 0.000 6.296) 6.308 3.967 ( -7.989 0.000 1.608) 8.149 4.293 ( 5.217 0.000 5.593) 7.649 4.560 ( -10.814 0.000 6.612) 12.676 4.656 ( 1.708 0.000 -0.947) 1.953 4.734 ( -3.780 0.000 5.566) 6.728 4.875 ( -4.276 0.000 -1.596) 4.564 5.030 ( 10.177 0.000 2.930) 10.590 5.222 ( 2.910 0.000 -2.792) 4.033 5.225 ( 0.622 0.000 1.175) 1.329 5.247 ( 11.883 0.000 3.255) 12.320 5.581 ( -4.443 0.000 -13.480) 14.193 5.653 ( -3.679 0.000 -2.066) 4.220 5.707 ( -10.596 0.000 -22.725) 25.074 6.030 ( 4.375 0.000 0.786) 4.445 6.087 ( -9.107 0.000 2.690) 9.496 6.203 ( 4.188 0.000 -2.522) 4.889 7.322 ( 5.833 0.000 -0.593) 5.863 7.493 ( 7.049 0.000 2.267) 7.404 9.037 ( 0.858 0.000 -0.737) 1.131 9.146 ( 2.557 0.000 -0.639) 2.636 9.174 ( 2.575 0.000 0.447) 2.613 9.290 ( -2.205 0.000 0.547) 2.272 9.355 ( 1.590 0.000 0.177) 1.600 9.496 ( -3.510 0.000 2.289) 4.191 9.872 ( 5.115 0.000 7.278) 8.896 9.960 ( 2.325 0.000 -1.770) 2.922 10.182 ( -2.818 0.000 4.394) 5.220 10.426 ( -2.419 0.000 -0.052) 2.419 10.955 ( -0.237 0.000 -1.236) 1.259 11.083 ( -1.196 0.000 -5.016) 5.156 11.206 ( 3.408 0.000 -2.130) 4.019 11.255 ( -0.030 0.000 5.381) 5.381 11.468 ( 8.013 0.000 12.112) 14.522 11.573 ( 0.327 0.000 -2.152) 2.177 12.930 ( -1.231 0.000 -1.407) 1.870 13.061 ( -2.192 0.000 1.344) 2.571 13.099 ( 0.282 0.000 0.238) 0.369 13.204 ( -0.958 0.000 0.219) 0.983 20.093 ( -0.879 0.000 1.839) 2.038 20.182 ( 1.877 0.000 -2.611) 3.215 20.410 ( -2.722 0.000 1.066) 2.923 20.588 ( -0.522 0.000 -2.859) 2.907 23.788 ( -0.271 0.000 0.997) 1.033 23.921 ( 1.258 0.000 -1.204) 1.741 25.114 ( -0.007 0.000 -1.976) 1.976 25.306 ( 20.443 0.000 30.949) 37.091 25.917 ( 2.650 0.000 2.654) 3.750 26.067 ( 2.483 0.000 -1.187) 2.752 26.195 ( -0.281 0.000 1.910) 1.931 26.623 ( 0.720 0.000 -0.175) 0.741 27.332 ( -2.039 0.000 -0.384) 2.075 27.388 ( -0.337 0.000 1.302) 1.345 27.571 ( -12.528 0.000 -16.245) 20.515 27.652 ( 1.437 0.000 -0.711) 1.603 28.169 ( -0.125 0.000 -0.569) 0.583 28.295 ( 1.862 0.000 -4.935) 5.274 28.455 ( 0.697 0.000 0.636) 0.944 28.720 ( -0.774 0.000 7.987) 8.024 38.758 ( -1.561 0.000 -0.086) 1.564 39.130 ( 3.004 0.000 -4.166) 5.136 39.379 ( -2.538 0.000 4.590) 5.244 39.440 ( 0.479 0.000 -2.240) 2.290 73.288 ( -4.175 0.000 3.932) 5.735 73.466 ( 5.821 0.000 -6.143) 8.463 75.707 ( -8.619 0.000 10.372) 13.486 77.853 ( 2.283 0.000 -30.146) 30.232 ======================= Grid point 87 (35/128) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -0.243 10.004 7.131) 12.288 0.654 ( -4.108 19.662 11.596) 23.193 1.165 ( 2.934 26.087 27.686) 38.154 1.763 ( -0.551 -1.827 -4.502) 4.890 1.851 ( 3.529 -5.850 -0.690) 6.867 1.973 ( 6.426 -6.108 -12.610) 15.415 2.088 ( -4.042 -2.640 -8.243) 9.553 2.398 ( 0.794 -8.171 1.863) 8.418 2.484 ( -2.857 -0.936 -2.372) 3.829 2.638 ( -1.103 -1.898 -1.245) 2.524 2.870 ( -2.406 -3.932 0.948) 4.706 2.951 ( 4.328 3.829 -1.204) 5.903 3.043 ( -0.737 3.370 1.199) 3.652 3.210 ( 0.317 2.745 -0.746) 2.863 3.270 ( -2.927 8.148 0.678) 8.685 3.571 ( -0.117 -2.470 -3.151) 4.005 3.792 ( 0.276 4.701 -3.507) 5.871 3.862 ( 2.657 -0.508 4.325) 5.101 4.048 ( 4.370 4.567 -2.331) 6.737 4.197 ( -8.136 -5.458 2.632) 10.144 4.440 ( -4.715 -2.253 3.586) 6.338 4.669 ( -1.880 0.360 2.729) 3.334 4.729 ( -1.977 1.610 3.896) 4.656 4.879 ( 0.528 -1.749 -1.729) 2.516 4.943 ( 3.450 -1.869 -0.026) 3.924 5.107 ( 4.795 1.577 -2.874) 5.809 5.261 ( 1.487 2.790 -2.606) 4.097 5.403 ( -2.876 3.220 1.711) 4.643 5.587 ( 2.742 -2.867 -1.933) 4.413 5.632 ( -0.892 3.909 -5.922) 7.151 5.826 ( 12.230 -7.682 4.229) 15.049 5.923 ( -8.446 1.903 3.961) 9.521 6.071 ( 1.639 -0.921 0.428) 1.928 6.228 ( 2.787 -3.202 -1.753) 4.593 7.375 ( 0.049 -2.520 -0.477) 2.565 7.477 ( 0.845 -6.150 0.545) 6.231 9.080 ( 0.224 1.737 0.794) 1.923 9.160 ( -0.135 -0.257 -0.438) 0.525 9.204 ( 0.113 -1.507 1.259) 1.967 9.252 ( 0.419 -1.458 1.479) 2.119 9.383 ( -0.128 -0.125 1.187) 1.200 9.389 ( -1.151 -0.290 -1.497) 1.910 9.849 ( -1.289 -0.507 3.242) 3.526 10.076 ( -0.268 -1.850 -2.525) 3.142 10.352 ( -0.355 0.089 0.116) 0.384 10.439 ( 5.777 2.081 -2.431) 6.604 10.748 ( -6.040 -2.557 3.108) 7.258 10.946 ( 1.080 -3.075 -1.776) 3.711 11.256 ( -0.716 5.183 1.053) 5.337 11.319 ( -3.605 6.268 0.739) 7.268 11.572 ( -1.779 1.582 -2.411) 3.389 11.620 ( -2.874 7.294 -6.439) 10.145 12.969 ( 1.701 -1.035 2.787) 3.426 13.103 ( 1.107 -0.832 1.049) 1.737 13.200 ( -0.823 1.049 -0.520) 1.431 13.270 ( 1.802 3.162 -6.169) 7.163 20.087 ( -1.163 0.487 0.981) 1.598 20.259 ( 2.347 -3.230 -2.127) 4.524 20.521 ( 2.517 7.380 -2.961) 8.341 20.595 ( -4.442 10.346 -11.391) 16.017 23.781 ( -0.300 -0.168 0.625) 0.714 23.909 ( -0.266 -2.048 -0.700) 2.180 24.830 ( -14.394 -7.172 14.844) 21.886 25.129 ( -0.511 -2.112 -0.262) 2.189 25.982 ( 2.962 -0.850 3.978) 5.032 26.169 ( -1.150 -1.827 1.083) 2.415 26.514 ( -2.878 5.656 -7.040) 9.478 26.608 ( -1.876 0.059 -2.412) 3.057 27.122 ( 1.910 2.473 1.635) 3.526 27.389 ( -0.733 -1.153 2.439) 2.796 27.522 ( -1.714 11.439 -15.017) 18.956 27.677 ( 0.361 0.882 -1.131) 1.479 28.168 ( 0.101 0.199 -0.658) 0.695 28.273 ( 1.148 -1.279 -5.416) 5.682 28.699 ( -2.889 -3.088 7.363) 8.491 28.840 ( 19.223 -14.683 14.064) 27.981 38.735 ( -2.748 -0.745 1.886) 3.415 38.798 ( -7.630 -1.836 2.063) 8.114 39.249 ( -1.185 1.375 1.439) 2.316 39.433 ( 1.250 -1.164 -1.303) 2.148 73.257 ( -1.956 2.287 1.680) 3.447 73.553 ( 1.532 -1.515 -0.494) 2.211 76.902 ( 28.634 34.267 -30.138) 53.874 77.368 ( -40.464 35.061 -42.752) 68.515 ======================= Grid point 88 (36/128) ======================= q-point: ( 0.10 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 13.212 -4.435 12.948) 19.023 0.764 ( 8.099 11.140 14.052) 19.676 1.554 ( 13.592 18.815 22.455) 32.296 1.761 ( 4.276 -4.588 -6.006) 8.684 1.902 ( -0.288 -5.276 -4.983) 7.263 1.949 ( 3.252 -1.425 -11.855) 12.375 2.033 ( 5.760 -0.891 -7.363) 9.391 2.330 ( -7.914 -3.905 -3.076) 9.345 2.408 ( -2.859 -5.022 2.161) 6.169 2.618 ( -0.507 -3.651 -0.918) 3.798 2.766 ( -5.810 1.783 0.000) 6.077 3.012 ( 0.126 10.407 -0.398) 10.416 3.095 ( 5.225 -5.356 1.448) 7.621 3.231 ( -0.310 5.116 -2.615) 5.754 3.265 ( 4.273 1.086 1.328) 4.604 3.554 ( 0.589 -1.004 -1.484) 1.886 3.775 ( -0.575 9.514 0.022) 9.531 3.916 ( -1.859 -3.273 -4.873) 6.157 3.995 ( -7.919 -2.734 5.024) 9.768 4.135 ( 0.607 4.612 3.592) 5.877 4.434 ( 2.413 -2.376 0.570) 3.435 4.635 ( -1.278 0.320 0.456) 1.394 4.716 ( -3.619 -0.617 2.562) 4.477 4.893 ( 3.264 -7.018 -2.128) 8.027 5.047 ( 4.811 2.644 3.666) 6.601 5.159 ( -0.981 3.486 2.662) 4.495 5.217 ( -4.670 6.087 -1.960) 7.919 5.411 ( 0.258 1.524 3.362) 3.700 5.527 ( -3.460 1.054 -7.140) 8.004 5.632 ( 3.776 -0.605 -2.933) 4.820 5.806 ( -1.543 -0.359 -2.413) 2.886 5.932 ( -2.614 -3.336 -1.466) 4.484 6.205 ( 8.871 -17.064 -1.871) 19.323 6.244 ( -0.799 -3.304 0.397) 3.422 7.306 ( -6.262 -4.339 -0.075) 7.619 7.459 ( -3.250 -1.944 0.441) 3.813 9.066 ( -2.190 1.154 0.833) 2.612 9.130 ( -2.356 0.315 -0.772) 2.499 9.199 ( -1.189 -1.005 1.960) 2.503 9.286 ( 0.979 -2.981 0.769) 3.230 9.368 ( 0.124 0.508 0.282) 0.594 9.390 ( 0.341 0.563 -0.845) 1.071 9.833 ( -2.483 -0.826 2.476) 3.603 10.039 ( -1.363 -1.376 -2.246) 2.966 10.352 ( 0.034 0.647 0.378) 0.750 10.433 ( -4.152 4.188 1.156) 6.009 10.745 ( 4.222 3.243 -0.539) 5.351 10.959 ( 1.418 -2.711 -1.639) 3.471 11.153 ( -5.765 5.499 -0.848) 8.012 11.314 ( 0.870 6.472 3.429) 7.375 11.486 ( -2.957 6.017 -0.027) 6.705 11.636 ( 2.965 2.765 -1.722) 4.405 13.012 ( 0.971 -0.476 2.226) 2.475 13.102 ( -1.661 0.552 -0.695) 1.884 13.191 ( 0.693 0.402 -0.642) 1.027 13.245 ( 0.087 -0.727 -1.823) 1.965 20.064 ( -1.653 0.788 0.291) 1.854 20.279 ( 0.775 -4.602 -0.697) 4.719 20.456 ( -2.278 11.457 -3.979) 12.341 20.551 ( 2.735 6.445 -2.927) 7.589 23.780 ( -0.305 -0.126 0.642) 0.722 23.894 ( -0.655 -2.118 -0.662) 2.314 24.690 ( -8.387 3.540 10.264) 13.719 25.154 ( 2.199 -2.643 1.381) 3.705 26.044 ( -0.135 -0.066 2.273) 2.278 26.121 ( -3.088 -0.352 0.377) 3.131 26.401 ( -2.769 5.087 1.542) 5.993 26.548 ( -2.182 0.109 -3.877) 4.451 27.190 ( 2.393 -1.208 0.079) 2.682 27.384 ( -0.915 -0.312 1.288) 1.610 27.479 ( 3.848 7.731 -6.776) 10.977 27.678 ( 0.360 1.024 -0.886) 1.401 28.167 ( 0.259 0.084 -0.535) 0.600 28.251 ( 0.711 -1.122 -5.233) 5.399 28.659 ( -5.331 -1.573 4.519) 7.164 29.109 ( 1.977 -16.217 5.745) 17.318 38.722 ( 2.756 0.696 -0.449) 2.878 38.789 ( 1.611 -0.026 1.350) 2.102 39.249 ( -0.015 1.652 0.957) 1.910 39.460 ( 2.157 -1.412 -0.425) 2.613 73.230 ( -1.572 2.857 0.510) 3.301 73.578 ( 1.018 -2.185 1.019) 2.617 76.470 ( -23.958 46.802 -12.047) 53.940 77.098 ( 11.375 13.208 -23.170) 28.994 ======================= Grid point 89 (37/128) ======================= q-point: ( 0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 14.630 1.154 4.226) 15.272 1.123 ( 15.047 -3.165 14.676) 21.256 1.715 ( 0.005 -1.250 -11.816) 11.882 1.832 ( 3.471 -8.236 -5.995) 10.762 1.923 ( 3.466 5.237 -4.996) 8.025 1.992 ( 7.949 -2.340 -2.068) 8.540 2.130 ( 9.297 7.212 4.837) 12.721 2.224 ( -3.132 -4.842 6.399) 8.614 2.359 ( -3.352 -3.309 1.865) 5.066 2.592 ( -1.701 -3.164 -0.483) 3.624 2.682 ( -1.880 4.524 -2.570) 5.533 2.996 ( -1.736 9.145 2.155) 9.554 3.158 ( -0.452 3.948 -4.020) 5.652 3.251 ( 5.142 -4.045 -1.100) 6.635 3.353 ( 1.771 -1.782 4.422) 5.086 3.566 ( -1.945 1.896 -0.982) 2.888 3.646 ( -7.560 1.951 -4.250) 8.889 3.827 ( 2.086 6.759 1.167) 7.169 4.018 ( -0.560 1.475 5.147) 5.383 4.143 ( -1.801 -4.181 4.186) 6.184 4.500 ( 2.971 -2.492 -1.906) 4.321 4.639 ( 1.828 0.397 -1.931) 2.688 4.647 ( -3.060 -2.211 0.192) 3.780 4.937 ( -2.008 -5.709 2.801) 6.669 5.047 ( -6.129 4.754 -1.462) 7.893 5.099 ( -4.219 5.277 2.139) 7.087 5.205 ( 4.274 3.874 4.714) 7.450 5.388 ( -4.924 -0.917 -2.295) 5.509 5.455 ( -0.877 0.950 2.856) 3.135 5.652 ( -0.456 -1.634 -2.793) 3.268 5.812 ( 1.097 -4.033 -6.280) 7.544 5.869 ( 4.672 0.473 -7.856) 9.153 6.202 ( -4.361 -2.890 2.212) 5.680 6.279 ( 1.356 -15.945 -2.789) 16.244 7.164 ( -7.595 -2.871 -0.995) 8.181 7.373 ( -5.915 1.073 0.888) 6.077 9.022 ( -2.396 0.205 -0.185) 2.412 9.073 ( -2.585 0.557 -0.929) 2.803 9.193 ( -1.032 -0.449 2.144) 2.421 9.296 ( 0.579 -3.003 -0.889) 3.184 9.378 ( -0.394 1.368 1.146) 1.827 9.393 ( 0.598 0.399 -0.236) 0.756 9.799 ( -2.305 0.013 1.044) 2.531 10.004 ( -0.940 -0.973 -1.012) 1.690 10.330 ( -2.627 8.129 2.217) 8.826 10.421 ( 1.975 -1.973 0.120) 2.795 10.823 ( 3.987 2.938 -1.285) 5.117 10.973 ( 1.395 -1.432 -2.003) 2.830 11.091 ( -1.212 -0.409 0.500) 1.374 11.361 ( 0.850 5.826 4.232) 7.251 11.443 ( -2.403 4.298 1.866) 5.266 11.653 ( -0.694 2.576 -1.099) 2.886 13.043 ( 0.313 -0.028 2.258) 2.279 13.069 ( 0.179 0.737 -1.651) 1.817 13.198 ( 0.908 0.347 -1.884) 2.120 13.255 ( 0.876 -1.503 0.722) 1.884 20.034 ( -1.487 0.989 -0.052) 1.786 20.284 ( 0.077 -4.782 0.240) 4.788 20.440 ( 1.530 7.606 -1.043) 7.828 20.580 ( 2.158 5.154 -1.874) 5.893 23.779 ( -0.260 0.031 0.643) 0.694 23.876 ( -0.731 -1.728 -0.646) 1.984 24.645 ( -3.669 4.769 6.939) 9.184 25.212 ( 1.891 -4.258 2.441) 5.259 26.006 ( -2.509 -0.187 -1.559) 2.960 26.090 ( -2.228 0.769 1.823) 2.980 26.391 ( -1.580 1.850 3.542) 4.297 26.481 ( -1.639 0.304 -3.778) 4.130 27.231 ( 2.633 -2.628 -0.199) 3.726 27.384 ( -0.262 -1.398 1.563) 2.114 27.518 ( 3.698 5.807 -3.442) 7.697 27.682 ( 0.906 2.235 -0.594) 2.484 28.172 ( 0.648 0.115 -0.461) 0.804 28.226 ( 0.354 -0.586 -4.354) 4.407 28.574 ( -5.660 0.059 1.876) 5.963 29.103 ( -3.936 -9.569 2.661) 10.683 38.791 ( 4.715 -0.234 -2.435) 5.312 38.840 ( 2.256 -0.782 1.757) 2.964 39.260 ( 0.401 1.896 0.978) 2.171 39.502 ( 2.012 -1.628 0.342) 2.611 73.212 ( -0.195 2.972 -0.437) 3.011 73.600 ( -0.356 -2.764 2.462) 3.719 76.186 ( -6.791 26.985 3.693) 28.070 77.055 ( 1.149 6.507 -18.139) 19.305 ======================= Grid point 90 (38/128) ======================= q-point: ( 0.30 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 12.909 0.342 -1.808) 13.039 1.449 ( 8.519 2.753 8.548) 12.378 1.628 ( 2.997 -1.822 -11.776) 12.287 1.841 ( 5.362 -2.055 -10.157) 11.668 1.945 ( 5.750 -1.536 -4.237) 7.306 2.114 ( 2.715 -5.524 3.371) 7.017 2.236 ( -0.736 -5.209 4.571) 6.969 2.302 ( -4.108 -1.462 2.645) 5.100 2.392 ( 7.028 -0.040 8.715) 11.196 2.571 ( 0.977 -1.124 -0.480) 1.565 2.664 ( 1.888 6.938 -0.645) 7.219 2.971 ( -3.088 10.030 2.713) 10.840 3.104 ( -1.258 2.276 -3.534) 4.388 3.196 ( -11.207 2.065 -5.031) 12.457 3.369 ( 3.316 -2.322 0.596) 4.091 3.548 ( 3.073 2.941 4.317) 6.061 3.641 ( 2.570 -3.754 -2.573) 5.227 3.919 ( 5.454 4.719 1.246) 7.319 3.998 ( -4.283 3.589 5.826) 8.073 4.143 ( -1.947 -3.968 1.992) 4.848 4.477 ( -2.599 -5.765 -1.157) 6.429 4.604 ( -2.063 -1.421 -3.301) 4.144 4.673 ( 2.236 1.261 -2.235) 3.404 4.813 ( -8.672 -0.702 4.983) 10.027 4.995 ( 1.141 4.337 -1.146) 4.629 5.069 ( -4.821 -2.296 5.984) 8.020 5.271 ( -3.433 1.358 -2.817) 4.643 5.315 ( 3.102 3.882 3.606) 6.140 5.468 ( 0.851 -2.011 -0.381) 2.217 5.583 ( -2.841 -0.625 -3.314) 4.410 5.771 ( -0.034 -4.788 -4.587) 6.631 5.958 ( 7.982 -3.418 -8.017) 11.818 6.124 ( -5.415 -2.583 3.043) 6.727 6.250 ( -1.966 -9.830 -1.736) 10.174 7.027 ( -5.268 1.389 -1.718) 5.712 7.260 ( -6.341 2.420 0.899) 6.846 8.981 ( -1.349 -0.983 -0.866) 1.880 9.027 ( -1.474 0.193 -0.968) 1.774 9.191 ( -0.816 -0.445 2.018) 2.222 9.303 ( 1.183 -3.171 -1.759) 3.814 9.374 ( -0.619 2.640 1.207) 2.968 9.397 ( -0.564 0.279 0.794) 1.012 9.766 ( -1.418 0.839 -0.116) 1.652 9.987 ( -0.545 -1.213 -0.269) 1.357 10.309 ( -1.283 7.687 1.930) 8.029 10.470 ( 2.686 -3.920 0.044) 4.752 10.876 ( 2.288 2.067 -0.029) 3.083 10.981 ( 1.059 -0.136 -2.045) 2.307 11.090 ( 0.423 -3.248 0.012) 3.275 11.396 ( -0.966 3.291 4.279) 5.483 11.426 ( -0.797 5.025 2.636) 5.730 11.591 ( -4.271 3.238 -1.938) 5.699 13.040 ( -1.458 0.442 2.227) 2.699 13.102 ( 3.355 0.224 -1.397) 3.641 13.201 ( 1.014 -0.096 -2.253) 2.473 13.274 ( 0.572 -1.100 0.366) 1.293 20.010 ( -0.977 1.071 0.146) 1.457 20.286 ( -0.004 -4.892 -0.110) 4.893 20.474 ( 2.017 5.017 0.110) 5.409 20.605 ( 1.510 4.044 -1.115) 4.458 23.780 ( -0.196 0.246 0.611) 0.687 23.859 ( -0.643 -1.057 -0.494) 1.333 24.635 ( -2.442 4.017 5.649) 7.349 25.244 ( -0.327 -5.489 1.617) 5.731 25.950 ( -1.813 -0.447 -1.773) 2.575 26.058 ( -1.470 1.526 0.117) 2.122 26.375 ( -2.114 0.437 2.123) 3.028 26.436 ( -0.868 0.603 -2.301) 2.532 27.287 ( 2.713 -3.813 0.642) 4.724 27.388 ( -0.568 -3.407 1.290) 3.687 27.564 ( 2.787 5.741 -1.254) 6.504 27.711 ( 2.261 3.481 0.422) 4.173 28.183 ( 0.788 -0.083 -0.852) 1.163 28.206 ( 0.431 0.255 -2.541) 2.590 28.485 ( -4.196 1.395 0.139) 4.425 29.034 ( -3.956 -6.225 0.097) 7.376 38.853 ( 3.454 -0.772 -1.861) 3.998 38.892 ( 1.816 -1.286 1.420) 2.640 39.277 ( 0.616 2.149 1.118) 2.500 39.535 ( 1.016 -1.663 0.418) 1.993 73.219 ( 1.368 2.731 -0.768) 3.149 73.593 ( -2.524 -2.728 2.886) 4.705 76.159 ( -1.754 15.353 6.987) 16.959 76.923 ( -2.375 2.297 -12.155) 12.597 ======================= Grid point 91 (39/128) ======================= q-point: ( 0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 5.735 2.881 -3.761) 7.438 1.598 ( 8.117 8.529 -2.165) 11.971 1.721 ( 8.985 -4.141 -2.824) 10.288 1.904 ( 4.063 -1.453 -2.267) 4.874 2.005 ( 3.467 -0.095 -5.831) 6.785 2.137 ( -2.322 0.936 -2.187) 3.324 2.187 ( -4.753 -2.311 3.769) 6.491 2.321 ( 0.554 -4.539 8.762) 9.884 2.454 ( -2.157 -6.369 3.311) 7.495 2.606 ( 1.469 -3.260 -0.209) 3.581 2.762 ( 4.625 5.259 2.747) 7.523 2.915 ( -3.869 7.852 0.493) 8.768 3.005 ( -2.236 8.373 -0.633) 8.689 3.074 ( -1.886 -0.280 -1.321) 2.320 3.421 ( 2.247 -1.343 -1.650) 3.094 3.600 ( -1.217 -2.604 -0.765) 2.975 3.675 ( 3.219 -4.298 -0.326) 5.379 3.928 ( -4.785 5.968 3.060) 8.238 4.069 ( 6.848 0.700 -0.036) 6.884 4.099 ( -1.530 0.369 0.109) 1.577 4.396 ( -4.283 -2.681 -1.703) 5.332 4.555 ( -1.301 -0.027 2.211) 2.566 4.668 ( -0.977 -2.913 0.335) 3.090 4.730 ( -5.678 -1.336 4.612) 7.436 4.987 ( -5.114 -2.837 2.089) 6.210 5.066 ( 4.710 3.263 1.532) 5.931 5.199 ( -2.169 -0.475 -1.390) 2.619 5.398 ( 3.012 3.305 2.010) 4.903 5.472 ( 1.122 -2.311 -4.944) 5.572 5.532 ( -1.538 2.086 0.020) 2.592 5.736 ( 0.061 -6.742 -4.545) 8.132 6.026 ( 4.346 -6.706 -6.165) 10.093 6.057 ( -3.606 -3.278 3.147) 5.801 6.204 ( -1.442 -4.601 -0.788) 4.886 6.954 ( -1.088 5.502 -1.054) 5.706 7.155 ( -4.992 3.044 0.345) 5.857 8.962 ( 0.026 -1.788 -0.895) 2.000 9.002 ( -0.490 -0.671 -0.894) 1.221 9.189 ( -0.803 -0.620 1.527) 1.834 9.308 ( 0.631 -2.681 -2.304) 3.591 9.382 ( 0.180 2.015 2.446) 3.174 9.388 ( -0.866 1.185 0.834) 1.688 9.744 ( -0.560 1.338 -0.708) 1.614 9.974 ( -0.489 -1.130 -0.702) 1.417 10.305 ( -0.673 6.203 1.846) 6.507 10.515 ( 1.702 -4.844 0.475) 5.156 10.912 ( 1.115 1.367 0.634) 1.874 10.988 ( 1.074 -0.067 -1.090) 1.532 11.096 ( 0.474 -3.679 -1.098) 3.868 11.381 ( -2.824 0.969 0.933) 3.128 11.446 ( 0.217 5.255 2.974) 6.042 11.496 ( -3.410 5.461 -0.472) 6.455 13.027 ( -1.560 0.878 1.970) 2.662 13.157 ( 3.071 -0.344 -0.880) 3.213 13.203 ( 0.763 -0.145 -2.036) 2.179 13.279 ( 0.118 -1.028 -0.691) 1.245 20.001 ( -0.336 1.028 0.807) 1.350 20.278 ( -0.282 -4.637 -1.279) 4.818 20.510 ( 1.328 3.487 0.830) 3.822 20.621 ( 0.900 3.180 -0.677) 3.373 23.781 ( -0.154 0.410 0.590) 0.735 23.846 ( -0.299 -0.442 -0.306) 0.615 24.632 ( -2.061 3.213 5.289) 6.523 25.225 ( -1.606 -5.796 -0.690) 6.053 25.920 ( -0.231 0.756 -0.956) 1.241 26.041 ( -0.251 0.358 -0.618) 0.757 26.348 ( -2.075 0.474 1.442) 2.571 26.413 ( 0.138 0.374 -1.861) 1.904 27.334 ( 1.550 -4.398 0.740) 4.722 27.381 ( -0.864 -4.396 0.795) 4.550 27.601 ( 1.497 5.923 0.260) 6.115 27.760 ( 1.625 4.039 0.946) 4.456 28.184 ( 0.567 0.194 -1.105) 1.257 28.212 ( 0.906 0.622 -0.411) 1.173 28.428 ( -1.698 1.619 0.009) 2.346 28.963 ( -2.612 -4.786 -2.320) 5.926 38.896 ( 2.083 -1.183 -0.797) 2.525 38.926 ( 0.817 -1.491 0.803) 1.880 39.297 ( 0.457 2.238 1.479) 2.722 39.545 ( -0.001 -1.479 -0.279) 1.505 73.251 ( 2.157 2.239 0.028) 3.109 73.548 ( -3.748 -2.196 1.542) 4.609 76.184 ( -1.397 9.968 6.746) 12.117 76.820 ( -0.317 -0.179 -7.328) 7.337 ======================= Grid point 92 (40/128) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 2.914 3.497 1.205) 4.708 1.713 ( 5.674 4.907 -4.339) 8.666 1.846 ( 4.704 0.354 -0.439) 4.738 1.905 ( -1.031 -2.747 -6.108) 6.776 1.969 ( -8.807 0.933 -4.534) 9.949 2.054 ( 5.143 0.165 -1.470) 5.351 2.169 ( -2.413 0.352 6.013) 6.488 2.378 ( -1.094 -3.095 5.500) 6.405 2.417 ( -3.928 -7.118 2.077) 8.391 2.629 ( 0.647 -6.179 0.531) 6.236 2.773 ( -3.581 5.947 1.225) 7.049 2.941 ( 3.307 6.164 3.078) 7.642 2.972 ( -1.686 5.156 -1.876) 5.740 3.080 ( 3.513 1.878 2.991) 4.981 3.432 ( 0.408 -1.210 -2.918) 3.185 3.523 ( -3.466 -1.036 -5.437) 6.530 3.710 ( -1.075 -3.853 -0.065) 4.000 3.867 ( -0.436 6.699 1.665) 6.916 4.058 ( -3.394 -0.519 -2.787) 4.422 4.204 ( 8.776 2.296 -3.337) 9.665 4.363 ( -1.145 -3.715 4.715) 6.111 4.584 ( 1.758 2.922 5.055) 6.098 4.607 ( -6.697 -5.643 5.574) 10.381 4.684 ( -0.795 -5.791 -0.603) 5.877 4.937 ( -0.769 -1.064 0.513) 1.409 5.143 ( 0.701 3.415 3.349) 4.834 5.198 ( 2.896 -0.948 -0.223) 3.055 5.427 ( -2.803 0.603 -3.357) 4.414 5.461 ( 2.781 2.322 0.174) 3.627 5.504 ( -0.433 2.411 -1.970) 3.144 5.725 ( 2.265 -8.216 -3.958) 9.396 6.025 ( -1.179 -3.682 2.028) 4.366 6.051 ( 2.246 -8.098 -4.793) 9.674 6.187 ( -0.208 -3.055 -0.408) 3.089 6.967 ( 2.118 6.640 0.803) 7.016 7.086 ( -1.614 3.318 -1.033) 3.832 8.966 ( 0.989 -1.989 -0.668) 2.320 8.994 ( 0.245 -1.585 -0.784) 1.785 9.179 ( -1.085 -0.246 0.690) 1.310 9.297 ( -0.109 -1.491 -1.381) 2.035 9.380 ( -0.422 1.703 0.502) 1.825 9.416 ( 1.044 0.061 3.163) 3.331 9.734 ( 0.145 1.575 -0.806) 1.775 9.958 ( -0.165 -0.442 -1.831) 1.890 10.308 ( -0.715 4.885 2.405) 5.491 10.537 ( 0.080 -5.306 0.660) 5.348 10.925 ( 0.064 0.712 0.517) 0.882 11.012 ( 1.542 0.209 0.541) 1.648 11.090 ( 0.047 -3.135 -1.827) 3.629 11.303 ( -3.088 2.100 -3.839) 5.355 11.447 ( -1.682 4.763 2.763) 5.757 11.503 ( 1.867 5.392 2.708) 6.316 13.011 ( -1.329 0.861 1.391) 2.108 13.191 ( 0.127 0.409 -0.953) 1.045 13.206 ( 1.473 -1.152 -0.762) 2.020 13.269 ( -0.161 -0.737 -1.833) 1.983 20.009 ( 0.253 0.829 1.666) 1.878 20.256 ( -0.530 -3.828 -2.525) 4.616 20.533 ( 0.236 2.603 1.278) 2.909 20.629 ( 0.389 2.768 -0.486) 2.837 23.782 ( -0.160 0.469 0.601) 0.779 23.844 ( 0.204 -0.154 -0.166) 0.305 24.635 ( -1.644 2.731 5.635) 6.474 25.189 ( -0.627 -5.406 -2.701) 6.075 25.924 ( 0.806 1.186 0.071) 1.436 26.034 ( 0.067 -0.388 -0.976) 1.053 26.318 ( -1.677 1.142 0.362) 2.061 26.418 ( 1.568 -0.106 -1.029) 1.879 27.356 ( 0.107 -4.764 0.737) 4.821 27.368 ( -0.771 -4.545 0.451) 4.632 27.631 ( 1.017 6.228 1.691) 6.533 27.766 ( -1.228 4.635 -0.311) 4.805 28.197 ( 0.973 0.198 -0.120) 1.001 28.225 ( 0.694 1.351 0.075) 1.521 28.423 ( 0.538 0.482 1.571) 1.729 28.902 ( -1.127 -4.442 -4.876) 6.691 38.920 ( 0.548 -1.647 -0.027) 1.736 38.937 ( 0.166 -1.297 0.469) 1.389 39.314 ( -0.132 2.068 2.157) 2.991 39.533 ( -0.561 -1.206 -1.279) 1.845 73.294 ( 1.426 1.516 1.859) 2.790 73.483 ( -2.865 -1.296 -1.038) 3.311 76.195 ( -2.382 8.807 5.856) 10.841 76.825 ( 5.379 -1.380 -3.761) 6.707 ======================= Grid point 93 (41/128) ======================= q-point: (-0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -8.031 -0.715 -0.991) 8.123 1.645 ( -15.129 3.970 0.943) 15.670 1.795 ( 2.080 2.336 -9.222) 9.738 1.855 ( 0.877 -5.380 -10.185) 11.552 1.947 ( 3.734 -2.203 6.915) 8.162 2.161 ( 5.635 -0.452 0.319) 5.662 2.214 ( 0.911 -2.040 8.336) 8.630 2.320 ( -6.203 -5.823 -2.226) 8.794 2.341 ( -5.451 -1.431 2.399) 6.125 2.576 ( -5.236 -4.873 -2.780) 7.674 2.747 ( -0.030 7.325 4.188) 8.438 2.891 ( -1.221 7.275 -0.660) 7.407 3.117 ( 5.278 2.501 4.145) 7.162 3.182 ( 4.804 1.396 3.524) 6.119 3.389 ( -2.329 2.540 -2.868) 4.484 3.407 ( -1.943 2.613 -7.049) 7.765 3.698 ( 0.760 -0.983 0.887) 1.527 3.913 ( 2.558 1.640 -0.746) 3.128 3.956 ( -3.868 1.755 -2.214) 4.790 4.279 ( -7.978 -2.402 7.694) 11.340 4.376 ( 6.979 -0.377 -2.685) 7.488 4.611 ( 3.932 -4.687 2.063) 6.457 4.651 ( -1.158 -7.790 -1.900) 8.102 4.681 ( 4.157 -0.354 3.176) 5.244 4.973 ( 2.363 3.215 4.263) 5.839 5.145 ( -3.057 4.157 5.472) 7.521 5.283 ( 4.933 -2.344 0.738) 5.512 5.316 ( -6.437 1.585 -2.036) 6.935 5.443 ( -2.112 3.463 -2.249) 4.638 5.563 ( 7.051 0.665 -3.671) 7.977 5.755 ( 3.066 -7.708 -2.775) 8.747 6.024 ( -0.763 -4.223 1.300) 4.484 6.070 ( 4.327 -7.330 -5.782) 10.291 6.175 ( -0.932 -3.933 -0.401) 4.062 7.014 ( 1.464 3.041 1.067) 3.540 7.105 ( 4.956 4.764 -1.436) 7.022 8.987 ( 1.476 -1.908 -0.142) 2.417 9.000 ( 1.089 -1.849 -1.087) 2.406 9.160 ( -0.965 0.732 -0.303) 1.249 9.290 ( 0.036 -1.376 -0.127) 1.382 9.377 ( -0.293 1.963 0.369) 2.019 9.459 ( 0.686 -1.706 3.518) 3.970 9.739 ( 0.752 1.755 -0.270) 1.928 9.948 ( 0.979 0.637 -2.621) 2.870 10.309 ( -1.292 4.133 3.019) 5.279 10.526 ( -1.573 -5.231 0.443) 5.480 10.932 ( 0.061 0.040 1.180) 1.182 11.035 ( 0.207 -1.640 -0.805) 1.838 11.080 ( 0.077 0.639 0.166) 0.665 11.240 ( -0.035 2.622 -4.425) 5.143 11.437 ( -1.654 5.255 3.294) 6.418 11.566 ( 2.825 4.779 1.394) 5.724 12.998 ( -0.842 0.454 0.779) 1.234 13.170 ( -1.339 -0.197 -0.468) 1.432 13.219 ( 0.001 -0.908 -1.523) 1.773 13.253 ( 0.061 0.470 -1.340) 1.421 20.033 ( 0.543 0.508 2.379) 2.493 20.225 ( -0.351 -2.622 -3.302) 4.231 20.537 ( -0.810 2.477 1.535) 3.024 20.629 ( 0.067 2.863 -0.476) 2.904 23.783 ( -0.207 0.399 0.635) 0.778 23.852 ( 0.726 -0.262 -0.116) 0.781 24.655 ( -1.058 2.441 7.131) 7.611 25.165 ( 0.424 -4.739 -3.714) 6.036 25.949 ( 1.572 1.066 0.498) 1.963 26.026 ( -0.119 -0.297 -1.505) 1.539 26.292 ( -0.819 1.973 -0.898) 2.317 26.455 ( 2.603 -0.514 0.048) 2.653 27.338 ( -1.911 -4.704 0.820) 5.143 27.372 ( 0.183 -4.493 0.574) 4.533 27.664 ( 0.593 6.378 3.199) 7.160 27.722 ( -2.368 5.075 -1.250) 5.738 28.201 ( -0.387 0.631 -0.254) 0.782 28.248 ( 1.695 1.369 -0.337) 2.204 28.467 ( 1.797 -0.974 4.108) 4.588 28.843 ( -0.297 -4.845 -8.207) 9.535 38.906 ( -1.682 -1.249 -0.171) 2.102 38.952 ( 0.628 -1.774 1.176) 2.219 39.323 ( -0.989 1.607 3.137) 3.660 39.508 ( -0.719 -0.973 -2.097) 2.421 73.320 ( -0.944 0.246 3.245) 3.389 73.439 ( 0.060 0.236 -2.880) 2.891 76.182 ( -3.106 11.434 5.412) 13.025 76.976 ( 12.442 -1.539 -1.083) 12.583 ======================= Grid point 94 (42/128) ======================= q-point: (-0.30 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -17.848 -5.029 -2.604) 18.725 1.311 ( -18.300 7.246 -1.333) 19.728 1.775 ( 3.148 -4.768 -9.883) 11.416 1.827 ( 2.465 -5.614 -7.493) 9.682 1.980 ( -11.783 0.188 4.890) 12.759 2.137 ( -3.711 -6.404 4.433) 8.628 2.226 ( -5.002 -0.768 -0.536) 5.089 2.279 ( 2.543 -0.324 0.520) 2.616 2.347 ( 5.031 0.720 5.709) 7.643 2.494 ( -0.954 -2.651 -0.815) 2.933 2.779 ( -1.303 6.933 4.002) 8.111 2.899 ( 2.374 8.692 -0.165) 9.012 3.133 ( -1.544 0.348 -3.583) 3.917 3.239 ( 0.355 -2.074 -1.532) 2.603 3.335 ( -0.049 3.538 -1.416) 3.811 3.482 ( 8.496 5.085 2.396) 10.187 3.702 ( -1.518 0.485 -1.634) 2.282 3.879 ( -1.980 -3.782 0.214) 4.274 3.975 ( 2.282 4.653 3.408) 6.203 4.155 ( -8.160 -2.646 6.504) 10.765 4.520 ( 8.568 -1.032 -1.201) 8.713 4.616 ( 1.034 -4.358 -4.260) 6.182 4.718 ( 2.746 -4.090 2.409) 5.484 4.780 ( 5.104 -2.286 0.536) 5.619 5.008 ( -4.180 6.706 6.731) 10.380 5.163 ( -6.534 0.501 -2.855) 7.148 5.176 ( 1.724 5.790 5.984) 8.503 5.365 ( 0.599 -1.896 -1.963) 2.794 5.398 ( 1.942 2.291 0.464) 3.039 5.673 ( 5.590 -3.552 -2.459) 7.065 5.803 ( 5.170 -3.097 -3.445) 6.941 5.995 ( -0.780 -9.491 -6.444) 11.498 6.132 ( 5.294 -4.007 -4.132) 7.820 6.143 ( -2.431 -3.440 1.132) 4.362 7.061 ( 4.005 -0.154 -0.926) 4.113 7.220 ( 6.837 3.489 0.029) 7.676 9.010 ( 1.158 -2.028 -0.644) 2.422 9.031 ( 2.825 -0.806 -0.510) 2.982 9.143 ( -0.192 1.299 -0.953) 1.623 9.294 ( -0.032 -1.612 0.775) 1.789 9.371 ( -0.456 1.952 0.096) 2.007 9.486 ( -0.742 -2.967 3.467) 4.623 9.760 ( 1.194 2.022 1.102) 2.594 9.962 ( 2.672 1.734 -2.732) 4.196 10.301 ( -1.885 4.259 2.929) 5.502 10.488 ( -2.633 -4.491 0.380) 5.220 10.939 ( -0.622 -2.065 1.220) 2.478 11.009 ( -0.959 -3.472 -2.591) 4.437 11.108 ( 1.484 4.550 3.873) 6.156 11.233 ( 1.916 3.311 -3.739) 5.349 11.437 ( -0.907 5.791 3.849) 7.012 11.621 ( 2.363 5.046 -0.132) 5.573 12.990 ( -0.523 -0.319 0.046) 0.614 13.137 ( -1.742 -0.645 -0.486) 1.920 13.188 ( -1.037 0.624 -2.622) 2.888 13.253 ( 0.042 1.499 0.191) 1.511 20.061 ( 0.396 0.180 2.624) 2.660 20.200 ( 0.466 -1.281 -3.442) 3.702 20.527 ( -1.398 3.345 1.544) 3.940 20.628 ( 0.267 3.321 -0.465) 3.364 23.784 ( -0.262 0.211 0.680) 0.758 23.869 ( 1.126 -0.638 -0.150) 1.303 24.704 ( -0.455 1.581 10.640) 10.766 25.146 ( 0.290 -3.656 -3.611) 5.147 25.990 ( 2.109 0.780 -0.572) 2.321 26.008 ( 0.040 0.344 -1.442) 1.483 26.274 ( -0.074 3.355 -1.735) 3.778 26.515 ( 3.209 -0.739 0.848) 3.400 27.306 ( -2.118 -4.488 1.247) 5.117 27.376 ( -0.356 -3.882 0.875) 3.995 27.670 ( -1.517 5.053 -0.795) 5.335 27.703 ( 0.339 5.781 3.790) 6.921 28.189 ( -0.561 1.141 -0.051) 1.272 28.275 ( 1.854 0.735 -1.817) 2.698 28.543 ( 2.015 -1.983 6.166) 6.783 28.759 ( -0.835 -5.520 -12.838) 13.999 38.861 ( -2.701 -0.548 -0.297) 2.772 38.975 ( 0.493 -2.918 2.110) 3.635 39.322 ( -1.915 0.764 4.295) 4.765 39.478 ( -0.645 -0.820 -2.417) 2.633 73.311 ( -1.836 -0.665 2.524) 3.191 73.441 ( 1.787 1.527 -2.178) 3.204 76.170 ( -1.578 18.548 5.124) 19.308 77.273 ( 18.471 -0.750 0.849) 18.506 ======================= Grid point 95 (43/128) ======================= q-point: (-0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -20.770 -3.470 0.765) 21.071 0.956 ( -17.308 11.289 -1.998) 20.761 1.608 ( -21.298 10.271 4.050) 23.990 1.821 ( 2.654 -1.305 -4.676) 5.533 1.845 ( 3.741 -6.736 -8.846) 11.731 2.024 ( -8.433 -2.362 -0.067) 8.757 2.234 ( 2.560 -9.892 1.685) 10.356 2.322 ( 0.637 0.622 0.830) 1.218 2.446 ( 3.094 -1.947 -1.926) 4.132 2.537 ( 3.329 -4.991 6.010) 8.491 2.750 ( -1.944 4.420 2.170) 5.294 2.953 ( 2.131 7.954 -1.623) 8.393 3.120 ( 2.870 3.702 -1.376) 4.882 3.196 ( -3.079 1.509 -1.377) 3.695 3.358 ( 1.709 2.200 -0.619) 2.854 3.615 ( 1.301 2.463 -1.044) 2.975 3.674 ( 4.588 -1.102 -2.757) 5.465 3.823 ( -5.228 -3.324 4.313) 7.549 4.049 ( -2.437 -0.921 6.333) 6.848 4.125 ( 4.179 2.192 3.373) 5.800 4.598 ( 0.866 -3.336 -0.846) 3.549 4.703 ( 8.735 -2.554 -1.553) 9.232 4.735 ( -5.657 -2.291 5.369) 8.129 4.808 ( -1.252 3.063 2.594) 4.204 5.000 ( -2.941 -1.054 -2.347) 3.907 5.045 ( 0.866 4.709 0.423) 4.807 5.244 ( 0.655 2.302 4.161) 4.800 5.312 ( -0.982 1.931 -3.093) 3.776 5.513 ( 6.604 0.681 1.373) 6.780 5.702 ( -0.622 -3.993 -0.871) 4.134 5.864 ( -3.295 -10.583 -11.886) 16.252 5.931 ( 8.332 -2.146 -8.171) 11.866 6.098 ( -3.386 -2.083 3.178) 5.089 6.193 ( 2.627 -1.579 -2.538) 3.980 7.160 ( 7.197 -2.428 -1.449) 7.732 7.346 ( 5.785 0.437 0.627) 5.835 9.029 ( 1.527 -0.291 -0.819) 1.757 9.089 ( 3.350 -0.558 -0.236) 3.405 9.142 ( 0.834 0.994 -0.804) 1.526 9.293 ( -0.938 -2.061 0.818) 2.408 9.364 ( -0.250 2.012 0.238) 2.041 9.477 ( -2.465 -3.325 2.615) 4.897 9.798 ( 1.127 1.912 2.702) 3.497 10.009 ( 4.198 2.079 -2.528) 5.323 10.287 ( -1.035 5.553 1.874) 5.951 10.438 ( -2.916 -3.472 0.825) 4.609 10.913 ( -2.684 -5.694 0.325) 6.303 10.973 ( -0.798 -3.083 -2.381) 3.976 11.200 ( 4.185 5.173 5.318) 8.518 11.244 ( 1.144 4.358 -1.451) 4.734 11.474 ( 1.954 5.855 4.750) 7.788 11.652 ( 1.473 5.945 -0.806) 6.177 12.970 ( -1.275 -0.697 -1.269) 1.929 13.101 ( -1.025 -1.129 -1.751) 2.322 13.165 ( 0.336 3.534 -0.404) 3.573 13.252 ( -0.292 2.634 0.217) 2.659 20.083 ( -0.008 0.100 2.332) 2.334 20.197 ( 1.855 -0.343 -3.244) 3.753 20.511 ( -1.050 5.231 0.731) 5.385 20.640 ( 1.590 4.109 -0.618) 4.449 23.783 ( -0.306 -0.025 0.715) 0.779 23.890 ( 1.244 -1.084 -0.254) 1.669 24.797 ( -0.311 -2.286 16.661) 16.820 25.127 ( 0.207 -2.191 -1.995) 2.971 25.962 ( -1.183 0.612 -3.559) 3.800 26.068 ( 4.241 1.087 1.189) 4.536 26.274 ( 2.038 6.519 -1.680) 7.033 26.582 ( 2.900 -0.514 0.850) 3.066 27.272 ( -2.718 -4.561 1.224) 5.449 27.375 ( -0.465 -2.563 1.319) 2.919 27.650 ( 0.271 3.091 -1.486) 3.440 27.742 ( 0.748 5.603 3.834) 6.830 28.183 ( -0.154 1.331 0.283) 1.370 28.291 ( 1.832 0.287 -3.209) 3.707 28.604 ( -3.306 -4.942 -11.982) 13.376 28.630 ( 0.816 -2.714 2.358) 3.687 38.805 ( -2.795 0.046 -0.204) 2.802 38.998 ( -0.274 -5.656 2.874) 6.350 39.312 ( -2.904 -0.641 5.141) 5.939 39.451 ( -0.383 -0.811 -2.173) 2.351 73.295 ( -1.906 -0.252 2.985) 3.551 73.469 ( 2.882 1.538 -2.277) 3.982 76.232 ( 6.474 31.043 2.441) 31.805 77.665 ( 21.611 0.848 -0.928) 21.648 ======================= Grid point 96 (44/128) ======================= q-point: (-0.10 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -9.962 9.806 4.913) 14.817 0.673 ( -9.810 18.288 4.257) 21.185 1.228 ( -22.969 21.769 15.699) 35.326 1.816 ( 1.323 -5.091 -3.627) 6.390 1.844 ( -3.709 3.337 -2.710) 5.678 1.931 ( 5.682 -10.637 -10.125) 15.746 2.225 ( -4.657 -4.022 -4.094) 7.391 2.345 ( 2.987 -9.974 1.642) 10.541 2.484 ( 2.802 -0.608 -1.943) 3.463 2.640 ( 1.884 -3.335 3.195) 4.988 2.795 ( 4.400 -0.193 3.238) 5.467 2.939 ( -0.205 4.662 -4.300) 6.345 3.110 ( -4.986 3.646 1.422) 6.338 3.196 ( 3.223 5.373 -0.090) 6.266 3.338 ( -3.757 4.678 -0.253) 6.005 3.597 ( -0.279 -0.659 -2.511) 2.611 3.765 ( 6.231 -1.415 -5.957) 8.736 3.797 ( -0.476 -0.905 5.599) 5.692 4.029 ( -1.589 2.231 2.057) 3.425 4.237 ( 1.809 -3.913 3.601) 5.617 4.555 ( -8.731 -2.381 4.145) 9.954 4.653 ( -0.919 0.973 2.754) 3.062 4.762 ( -2.900 1.130 4.215) 5.240 4.877 ( 2.860 -0.472 -0.678) 2.977 4.917 ( 0.272 -2.998 -4.102) 5.089 5.077 ( 0.795 -0.265 -1.137) 1.412 5.244 ( 1.080 1.599 -3.662) 4.139 5.392 ( 6.650 -1.711 6.050) 9.152 5.592 ( -4.961 -4.528 -2.878) 7.307 5.634 ( 0.442 2.436 -5.513) 6.043 5.702 ( 2.211 3.903 -9.672) 10.661 6.026 ( -0.078 -1.052 2.065) 2.319 6.058 ( -2.351 0.182 2.795) 3.657 6.196 ( 1.331 -1.712 -3.279) 3.931 7.298 ( 7.551 -2.966 -1.228) 8.205 7.437 ( 2.943 -3.700 1.025) 4.838 9.056 ( 1.615 1.667 -0.155) 2.327 9.142 ( 2.197 -0.376 -0.442) 2.273 9.168 ( 2.030 -0.189 0.356) 2.070 9.269 ( -1.978 -1.895 0.818) 2.858 9.369 ( 0.467 1.378 0.454) 1.525 9.436 ( -3.089 -2.425 1.172) 4.098 9.835 ( 0.226 0.875 3.374) 3.493 10.069 ( 3.151 -0.162 -2.393) 3.960 10.311 ( 3.754 7.395 -0.705) 8.323 10.396 ( -2.090 -2.586 1.583) 3.683 10.846 ( -4.927 -7.320 1.139) 8.897 10.949 ( 0.097 -3.009 -2.218) 3.739 11.247 ( 0.591 5.353 -0.497) 5.408 11.309 ( 2.449 3.946 3.435) 5.776 11.560 ( 2.438 1.426 1.358) 3.134 11.688 ( 2.606 5.459 -0.909) 6.118 12.937 ( -0.483 0.778 -0.241) 0.947 13.083 ( 0.273 -0.912 -0.576) 1.113 13.195 ( 2.181 3.536 -0.095) 4.156 13.250 ( 1.244 5.102 -1.781) 5.545 20.093 ( -0.516 0.284 1.744) 1.841 20.224 ( 3.139 -0.980 -3.076) 4.503 20.504 ( 0.796 7.290 -1.375) 7.461 20.671 ( 2.860 5.380 -5.371) 8.123 23.782 ( -0.315 -0.172 0.693) 0.781 23.908 ( 0.827 -1.566 -0.513) 1.843 24.898 ( -4.599 -11.152 18.275) 21.897 25.137 ( 0.484 -3.308 1.844) 3.818 25.928 ( 0.347 1.391 -0.646) 1.572 26.150 ( 2.128 -1.678 1.678) 3.187 26.387 ( 12.230 11.334 -0.930) 16.700 26.626 ( 1.280 0.094 -0.338) 1.328 27.200 ( -5.864 -3.695 -0.387) 6.942 27.381 ( -0.280 -1.603 2.053) 2.620 27.649 ( 0.848 1.896 -3.610) 4.164 27.745 ( -1.557 4.727 -9.574) 10.790 28.180 ( -0.403 0.978 -1.162) 1.571 28.293 ( 0.998 -0.555 -5.621) 5.736 28.460 ( 2.051 0.592 2.994) 3.677 28.689 ( -0.519 -2.830 7.379) 7.920 38.760 ( -1.814 0.201 0.230) 1.839 38.971 ( -6.413 -10.550 2.668) 12.631 39.281 ( -3.743 -0.882 3.811) 5.414 39.433 ( 0.107 -1.036 -1.848) 2.122 73.279 ( -2.148 1.119 3.016) 3.868 73.516 ( 3.300 0.008 -1.890) 3.803 76.498 ( 24.483 42.004 -10.106) 49.658 77.956 ( 11.055 4.678 -25.145) 27.863 ======================= Grid point 97 (45/128) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.627 21.825 -13.069) 25.490 1.074 ( -4.350 19.179 3.858) 20.041 1.557 ( 6.575 -8.647 -4.903) 11.919 1.610 ( -0.558 -0.426 -0.817) 1.077 1.764 ( 0.487 3.899 9.568) 10.343 1.936 ( 3.032 2.288 -4.124) 5.607 2.023 ( -0.404 -3.030 -6.568) 7.244 2.192 ( 1.730 -10.369 3.031) 10.941 2.433 ( -2.720 -2.172 -1.282) 3.709 2.578 ( -2.565 -4.127 1.249) 5.017 2.845 ( -2.906 2.140 5.565) 6.633 2.959 ( -0.286 -0.907 3.991) 4.103 3.174 ( 1.359 5.672 -1.240) 5.963 3.253 ( 1.284 1.278 -1.750) 2.519 3.434 ( -1.085 4.293 0.133) 4.430 3.555 ( -0.688 4.099 -4.462) 6.098 3.802 ( 3.348 -4.105 4.210) 6.766 3.860 ( 0.157 -5.941 -0.595) 5.972 4.035 ( -0.196 5.402 0.232) 5.410 4.219 ( 4.149 2.496 -3.030) 5.712 4.386 ( -7.168 -1.071 4.750) 8.665 4.681 ( -0.010 -3.254 1.255) 3.488 4.732 ( -1.383 -1.871 -1.793) 2.937 4.781 ( -8.430 -2.172 5.169) 10.124 5.012 ( 3.727 6.063 1.402) 7.254 5.157 ( 7.195 2.720 -4.009) 8.674 5.274 ( 1.986 -2.069 -0.723) 2.958 5.405 ( 2.964 -4.906 3.173) 6.552 5.507 ( -0.575 1.118 0.961) 1.582 5.643 ( 1.136 -1.293 -0.550) 1.807 5.880 ( -1.163 6.621 -7.971) 10.427 5.968 ( -2.792 2.262 0.834) 3.689 6.059 ( -2.085 -0.220 -1.618) 2.649 6.139 ( 1.532 -4.840 -1.392) 5.264 7.307 ( -0.356 -3.184 -0.724) 3.285 7.350 ( 1.950 -5.474 -0.371) 5.823 9.126 ( -0.007 2.189 0.444) 2.233 9.157 ( 0.253 -0.014 0.147) 0.293 9.181 ( -0.657 -0.546 1.286) 1.544 9.216 ( -0.135 -1.848 1.522) 2.398 9.388 ( 0.039 0.580 -1.492) 1.601 9.400 ( 0.585 0.446 -1.385) 1.568 9.880 ( -1.488 2.747 2.569) 4.044 10.023 ( -0.779 -3.034 -0.798) 3.233 10.332 ( -1.213 -0.956 2.253) 2.731 10.393 ( 1.606 -3.816 0.731) 4.204 10.772 ( 0.183 2.723 -0.178) 2.735 10.884 ( 0.673 -2.722 -1.374) 3.123 11.385 ( 0.318 5.847 -0.887) 5.922 11.434 ( 0.945 4.005 0.182) 4.119 11.596 ( -1.035 1.529 -0.112) 1.849 11.682 ( -1.894 -0.184 -1.790) 2.612 12.981 ( 1.175 1.690 1.753) 2.704 13.074 ( 1.176 -1.886 1.304) 2.577 13.228 ( -1.230 1.445 -1.020) 2.154 13.284 ( -1.348 -0.821 -3.615) 3.945 20.104 ( -0.817 1.127 0.943) 1.682 20.189 ( 0.436 -3.054 -0.116) 3.087 20.641 ( 1.014 4.692 -2.618) 5.468 20.718 ( 0.068 2.047 -7.747) 8.014 23.788 ( -0.198 0.767 0.188) 0.814 23.857 ( -0.621 -2.509 0.219) 2.594 24.831 ( -4.221 4.477 7.305) 9.551 25.060 ( -0.074 -4.469 0.540) 4.502 26.002 ( 1.819 2.041 2.807) 3.918 26.117 ( -0.308 -2.917 1.829) 3.457 26.576 ( -0.701 1.559 -4.366) 4.688 26.607 ( -1.642 -0.227 -2.805) 3.258 27.194 ( 0.319 4.052 1.922) 4.496 27.349 ( -0.549 -2.641 2.418) 3.622 27.663 ( 0.642 3.229 -9.205) 9.776 27.700 ( 0.008 0.966 -4.276) 4.383 28.178 ( -0.123 0.833 -1.793) 1.981 28.239 ( 0.660 -1.802 -4.800) 5.169 28.623 ( 1.605 -2.916 9.229) 9.811 28.664 ( 3.216 -4.352 7.896) 9.572 38.737 ( -1.810 0.740 1.477) 2.451 38.775 ( -1.782 -0.807 1.340) 2.371 39.291 ( -0.338 2.465 0.484) 2.534 39.398 ( 0.857 -2.161 -0.951) 2.512 73.322 ( -1.281 3.708 2.159) 4.478 73.492 ( 0.244 -3.828 1.600) 4.156 77.341 ( 6.445 17.670 -12.050) 22.337 77.784 ( -8.966 3.610 -31.421) 32.874 ======================= Grid point 98 (46/128) ======================= q-point: ( 0.10 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 5.150 16.516 -4.184) 17.799 1.083 ( 3.960 16.198 4.647) 17.310 1.540 ( 1.313 -14.887 -10.297) 18.149 1.685 ( 7.214 -10.492 -2.561) 12.987 1.872 ( -2.428 3.704 1.287) 4.611 1.990 ( 6.683 3.531 -3.707) 8.419 2.027 ( 3.920 1.494 3.792) 5.655 2.193 ( -1.566 -5.200 0.943) 5.512 2.360 ( -3.221 0.176 1.482) 3.550 2.558 ( -1.550 -3.389 1.304) 3.948 2.837 ( -0.749 5.356 3.326) 6.349 3.009 ( 2.833 -2.790 2.745) 4.831 3.192 ( 0.845 5.125 -0.965) 5.283 3.280 ( 1.539 0.166 -0.378) 1.594 3.408 ( -1.150 11.090 -2.860) 11.510 3.532 ( 0.918 0.309 0.181) 0.985 3.798 ( -5.158 -6.794 -1.529) 8.666 3.869 ( 0.450 -5.099 4.940) 7.114 4.029 ( -1.398 9.460 1.094) 9.625 4.246 ( -3.236 5.686 1.548) 6.723 4.362 ( 4.192 -4.272 -0.234) 5.990 4.637 ( -4.420 -7.495 0.598) 8.721 4.665 ( -1.893 0.787 -1.677) 2.649 4.762 ( 3.191 -3.458 -1.867) 5.063 5.127 ( 5.825 4.837 4.352) 8.733 5.236 ( -0.649 3.847 2.496) 4.632 5.303 ( 0.083 0.273 1.477) 1.504 5.404 ( -2.624 -0.192 -0.828) 2.758 5.544 ( 3.159 -4.496 -3.271) 6.395 5.613 ( -4.145 0.431 -0.127) 4.169 5.764 ( -3.968 1.549 -2.610) 4.996 5.935 ( -0.481 2.390 -4.604) 5.209 5.995 ( -1.727 -4.535 -1.367) 5.042 6.152 ( 0.087 -5.209 -0.675) 5.253 7.243 ( -4.457 -1.205 -0.554) 4.650 7.374 ( -0.373 -5.427 0.168) 5.442 9.100 ( -2.782 1.909 0.368) 3.394 9.139 ( -2.287 0.310 -0.149) 2.313 9.181 ( -0.272 -0.431 1.617) 1.695 9.228 ( 0.289 -2.419 0.916) 2.603 9.387 ( 0.983 0.861 -1.432) 1.939 9.401 ( 0.578 0.317 -1.225) 1.392 9.860 ( -2.140 2.795 1.965) 4.032 9.995 ( -1.327 -2.578 -0.764) 2.998 10.335 ( 0.192 -0.585 1.469) 1.593 10.416 ( -0.193 -3.789 1.838) 4.216 10.804 ( 3.085 2.410 -0.397) 3.935 10.896 ( 1.456 -2.515 -1.378) 3.216 11.330 ( -4.375 8.588 -2.605) 9.984 11.451 ( 0.040 4.731 2.571) 5.385 11.557 ( -2.464 2.379 0.258) 3.435 11.670 ( 1.556 -0.451 -1.772) 2.401 13.024 ( 1.231 1.569 3.085) 3.674 13.099 ( -0.027 -0.897 0.630) 1.097 13.198 ( -0.229 0.351 -1.291) 1.357 13.227 ( -1.049 -0.940 -3.510) 3.782 20.089 ( -1.293 1.550 0.537) 2.088 20.192 ( -0.115 -3.567 0.202) 3.574 20.624 ( -0.862 5.186 -3.277) 6.195 20.670 ( 1.010 3.718 -5.131) 6.416 23.785 ( -0.236 0.641 0.356) 0.770 23.846 ( -0.579 -2.231 0.025) 2.305 24.801 ( -3.719 6.555 5.666) 9.429 25.071 ( 0.585 -5.192 1.181) 5.356 26.053 ( 0.300 0.841 2.964) 3.095 26.102 ( -2.290 -1.221 1.432) 2.964 26.489 ( -3.332 3.052 -2.305) 5.073 26.547 ( -2.104 -0.280 -3.800) 4.353 27.209 ( -0.244 2.545 1.398) 2.914 27.344 ( -1.659 -2.801 2.242) 3.952 27.626 ( 2.808 5.326 -8.088) 10.083 27.699 ( 1.638 0.779 -2.298) 2.927 28.172 ( 0.437 0.430 -1.143) 1.297 28.221 ( 0.868 -1.685 -4.365) 4.759 28.633 ( -3.126 -0.265 5.155) 6.034 28.820 ( 3.026 -10.494 8.153) 13.629 38.741 ( 1.651 1.071 0.289) 1.989 38.782 ( 1.044 -0.663 1.107) 1.660 39.296 ( 0.548 2.799 0.339) 2.873 39.419 ( 1.789 -2.510 -0.430) 3.112 73.310 ( -1.395 4.507 1.719) 5.021 73.508 ( -0.059 -4.273 2.265) 4.837 77.139 ( -19.086 19.894 -10.906) 29.647 77.398 ( -3.391 10.136 -25.016) 27.203 ======================= Grid point 99 (47/128) ======================= q-point: ( 0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 14.193 4.803 3.528) 15.393 1.265 ( 11.254 11.375 1.544) 16.076 1.535 ( 4.978 -15.601 -4.689) 17.034 1.778 ( -2.025 3.753 -7.826) 8.913 1.816 ( 7.617 -10.879 -1.168) 13.332 2.032 ( 2.907 -2.035 -7.850) 8.615 2.065 ( -2.933 -1.467 3.813) 5.029 2.266 ( 2.135 -2.236 2.680) 4.091 2.343 ( 0.973 5.832 5.560) 8.116 2.545 ( -0.561 -1.568 2.436) 2.951 2.855 ( 0.585 9.613 0.564) 9.648 3.087 ( 2.336 -1.132 1.503) 3.000 3.200 ( 1.985 0.863 -2.023) 2.963 3.292 ( -0.631 -2.926 0.760) 3.088 3.341 ( -3.838 10.738 -0.762) 11.428 3.577 ( 1.273 -0.194 1.581) 2.039 3.677 ( -5.675 0.601 -0.017) 5.706 3.915 ( 1.359 -7.552 4.428) 8.859 4.009 ( -1.000 8.261 1.550) 8.464 4.170 ( -5.443 4.477 2.488) 7.474 4.432 ( 1.818 -3.632 -2.226) 4.632 4.563 ( -1.932 -6.088 -0.738) 6.430 4.669 ( 3.247 2.395 -3.666) 5.452 4.818 ( 3.445 -4.926 -1.671) 6.239 5.150 ( -8.712 5.007 1.612) 10.177 5.230 ( -6.558 5.527 0.910) 8.625 5.279 ( 5.794 3.269 4.816) 8.213 5.356 ( -3.386 -1.694 -0.106) 3.787 5.478 ( -4.789 0.525 -1.890) 5.175 5.600 ( 0.633 -4.758 -1.567) 5.049 5.708 ( -0.805 -3.218 -2.920) 4.419 5.847 ( -0.915 -4.144 -7.232) 8.386 6.029 ( 2.572 -4.344 2.042) 5.446 6.126 ( -2.495 -4.209 0.198) 4.897 7.155 ( -3.982 2.015 -0.511) 4.492 7.341 ( -3.021 -3.873 0.259) 4.919 9.037 ( -3.639 1.256 -0.032) 3.850 9.081 ( -3.239 -0.051 -0.353) 3.258 9.186 ( -0.441 -0.015 1.397) 1.466 9.237 ( 0.286 -2.445 -0.079) 2.462 9.398 ( 0.944 0.399 -1.055) 1.471 9.407 ( 0.877 0.790 -0.607) 1.328 9.832 ( -1.926 2.968 1.241) 3.750 9.968 ( -1.079 -2.368 -0.266) 2.616 10.360 ( 1.271 -0.797 1.090) 1.854 10.418 ( -0.758 -1.522 1.648) 2.367 10.863 ( 2.936 1.104 -0.663) 3.206 10.914 ( 1.645 -2.291 -1.560) 3.223 11.229 ( -3.834 9.815 -1.810) 10.692 11.452 ( -2.250 1.135 2.465) 3.525 11.535 ( -0.437 5.063 1.968) 5.450 11.676 ( -0.284 -0.866 -1.382) 1.655 13.061 ( -0.238 1.697 3.378) 3.788 13.090 ( 0.651 1.069 -1.557) 1.998 13.194 ( 0.728 -0.760 -3.391) 3.550 13.217 ( 0.896 -1.930 1.247) 2.467 20.066 ( -1.333 2.002 0.285) 2.422 20.189 ( -0.330 -4.028 0.345) 4.056 20.591 ( 0.005 5.967 -2.342) 6.411 20.667 ( 1.064 2.537 -2.487) 3.709 23.785 ( -0.104 0.591 0.600) 0.849 23.837 ( -0.349 -1.815 0.004) 1.848 24.774 ( -2.946 7.244 4.409) 8.977 25.092 ( 0.212 -6.915 1.687) 7.121 26.021 ( -3.019 1.433 -0.828) 3.443 26.086 ( -1.678 -1.017 2.354) 3.065 26.436 ( -2.051 2.146 0.096) 2.970 26.484 ( -1.669 -0.120 -2.954) 3.395 27.215 ( 0.492 0.915 0.614) 1.207 27.326 ( -1.588 -3.344 1.631) 4.045 27.642 ( 3.417 5.156 -4.553) 7.680 27.723 ( 2.359 1.190 -1.668) 3.125 28.176 ( 0.787 0.321 -0.988) 1.303 28.208 ( 0.835 -1.050 -3.433) 3.686 28.597 ( -3.655 2.579 3.068) 5.425 28.881 ( -0.959 -10.482 4.510) 11.451 38.789 ( 3.079 0.166 -0.667) 3.154 38.819 ( 1.779 -1.091 1.260) 2.438 39.315 ( 1.030 3.213 0.351) 3.393 39.454 ( 1.909 -2.862 0.021) 3.441 73.299 ( -0.804 5.016 1.233) 5.227 73.519 ( -0.736 -4.723 2.713) 5.496 76.739 ( -14.179 22.794 -5.217) 27.347 77.167 ( -6.994 2.164 -14.227) 16.000 ======================= Grid point 100 (48/128) ======================= q-point: ( 0.30 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 15.483 3.267 0.271) 15.826 1.482 ( 11.236 2.410 -2.344) 11.729 1.675 ( 10.877 -8.452 -1.618) 13.870 1.731 ( 1.750 7.815 -1.687) 8.185 1.946 ( 5.815 -9.634 1.311) 11.329 2.003 ( 2.558 3.994 -9.871) 10.952 2.074 ( 0.479 -8.325 5.567) 10.026 2.232 ( -3.196 -4.973 -1.493) 6.098 2.437 ( 0.519 3.981 6.090) 7.294 2.567 ( -0.420 0.083 3.823) 3.847 2.867 ( 0.994 10.036 -0.021) 10.085 3.083 ( -2.295 0.475 0.392) 2.376 3.202 ( -3.525 2.120 -2.982) 5.080 3.248 ( -2.409 5.292 -2.222) 6.225 3.319 ( 2.741 -0.258 1.515) 3.142 3.557 ( -2.477 -3.863 -0.426) 4.608 3.630 ( -1.251 4.533 2.627) 5.387 3.975 ( 1.234 -10.541 3.176) 11.079 4.034 ( 2.659 5.625 0.801) 6.273 4.098 ( -3.935 5.088 3.500) 7.322 4.393 ( -2.657 -2.349 -1.958) 4.051 4.538 ( -1.721 -5.187 -0.456) 5.484 4.710 ( 3.827 3.004 -5.678) 7.477 4.814 ( -5.402 -0.208 3.626) 6.509 5.021 ( -4.940 1.307 0.941) 5.196 5.129 ( -4.176 4.618 2.295) 6.635 5.257 ( -4.930 -2.521 -3.059) 6.326 5.385 ( -0.643 -4.943 -4.498) 6.714 5.404 ( 3.241 4.146 3.034) 6.075 5.595 ( 0.426 -0.245 -0.529) 0.722 5.657 ( -2.401 -3.870 -2.642) 5.266 5.832 ( 2.389 -7.627 -4.216) 9.036 6.066 ( -4.012 -2.456 1.611) 4.972 6.085 ( 1.431 -4.648 1.588) 5.116 7.096 ( -1.559 4.848 -0.808) 5.156 7.275 ( -3.732 -1.411 0.001) 3.989 8.973 ( -2.760 0.364 -0.319) 2.802 9.020 ( -2.706 -0.907 -0.498) 2.897 9.184 ( -0.664 0.050 1.253) 1.419 9.240 ( 0.334 -2.642 -0.659) 2.743 9.407 ( 0.585 0.727 -0.576) 1.097 9.421 ( 0.812 1.277 -0.310) 1.545 9.808 ( -1.244 3.214 0.627) 3.503 9.950 ( -0.746 -2.367 0.119) 2.484 10.392 ( 0.932 -0.411 1.304) 1.655 10.416 ( -0.060 -0.502 0.509) 0.717 10.896 ( 1.212 0.136 -0.544) 1.336 10.935 ( 1.528 -2.434 -1.715) 3.347 11.166 ( -1.906 8.079 -0.706) 8.330 11.415 ( -2.860 -1.201 1.607) 3.493 11.552 ( -0.133 5.370 2.750) 6.035 11.639 ( -2.370 0.945 -0.837) 2.685 13.067 ( -0.835 2.075 2.266) 3.184 13.111 ( 1.905 0.504 -0.717) 2.097 13.192 ( 1.520 -0.606 -3.015) 3.430 13.240 ( 0.326 -2.153 1.178) 2.476 20.045 ( -0.986 2.261 0.350) 2.492 20.185 ( -0.356 -4.440 0.227) 4.460 20.587 ( 0.637 5.081 -1.008) 5.219 20.669 ( 0.660 1.654 -1.504) 2.331 23.789 ( -0.027 0.683 0.728) 0.998 23.833 ( -0.148 -1.283 0.150) 1.300 24.751 ( -2.597 6.910 3.643) 8.232 25.094 ( -1.139 -8.340 1.066) 8.485 25.969 ( -1.491 1.965 -0.938) 2.639 26.060 ( -1.991 -1.218 0.934) 2.514 26.398 ( -1.795 1.537 -0.305) 2.383 26.442 ( -1.199 -0.142 -1.617) 2.018 27.239 ( 1.240 -0.765 0.744) 1.636 27.310 ( -1.142 -3.536 1.007) 3.850 27.680 ( 2.822 4.888 -1.859) 5.943 27.766 ( 2.999 1.302 -0.482) 3.305 28.184 ( 0.801 0.231 -1.138) 1.411 28.205 ( 0.924 -0.414 -1.872) 2.128 28.546 ( -3.111 4.788 1.196) 5.834 28.868 ( -2.216 -8.985 1.318) 9.348 38.838 ( 2.383 -0.516 -0.555) 2.500 38.861 ( 1.506 -1.492 1.124) 2.400 39.338 ( 1.093 3.498 0.407) 3.688 39.485 ( 1.253 -2.955 0.073) 3.210 73.300 ( 0.180 4.795 0.802) 4.865 73.514 ( -1.909 -4.592 2.589) 5.607 76.523 ( -7.470 17.272 0.351) 18.821 76.942 ( -7.335 -1.692 -8.447) 11.314 ======================= Grid point 101 (49/128) ======================= q-point: ( 0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 8.487 6.760 -3.246) 11.326 1.674 ( 11.629 -0.725 -4.546) 12.507 1.767 ( 5.232 4.405 -5.655) 8.874 1.873 ( 5.067 2.653 4.010) 6.986 2.000 ( 3.633 -1.973 -5.273) 6.700 2.070 ( 4.285 -4.617 3.625) 7.268 2.140 ( -0.629 -3.394 -4.139) 5.390 2.186 ( 1.082 -7.672 11.335) 13.730 2.410 ( -6.145 2.145 1.682) 6.722 2.543 ( -3.967 -2.780 0.190) 4.848 2.899 ( 1.159 6.827 1.905) 7.182 3.036 ( -2.794 -0.309 0.189) 2.817 3.097 ( -2.754 7.614 -1.023) 8.161 3.211 ( 0.001 8.883 -1.460) 9.002 3.383 ( 2.783 -2.518 -1.972) 4.240 3.514 ( -1.050 -6.324 -0.905) 6.474 3.624 ( -1.450 1.700 1.951) 2.966 4.002 ( -0.441 -7.629 0.821) 7.686 4.066 ( -2.796 3.387 3.308) 5.498 4.104 ( 5.576 2.402 -1.479) 6.249 4.341 ( -1.506 -1.009 -0.296) 1.837 4.487 ( -3.852 -4.923 1.443) 6.415 4.699 ( -2.734 3.894 0.458) 4.780 4.722 ( -6.339 0.740 3.803) 7.429 4.930 ( -4.275 -1.455 0.449) 4.538 5.118 ( -0.853 -3.096 -1.036) 3.374 5.181 ( 2.791 2.895 -2.662) 4.823 5.398 ( 4.598 -4.854 -4.278) 7.938 5.467 ( 1.768 2.649 1.240) 3.417 5.586 ( -3.060 -1.341 -1.127) 3.525 5.604 ( 0.387 -0.057 -1.185) 1.248 5.843 ( 1.051 -8.837 -2.153) 9.156 6.002 ( -3.822 -1.257 2.396) 4.683 6.109 ( 0.017 -4.612 0.860) 4.692 7.084 ( 0.913 6.144 -0.947) 6.284 7.206 ( -3.201 1.145 -0.334) 3.416 8.934 ( -1.033 -0.635 -0.347) 1.262 8.974 ( -1.689 -1.777 -0.490) 2.500 9.181 ( -0.620 0.023 1.169) 1.324 9.241 ( 0.415 -2.958 -0.762) 3.083 9.410 ( 0.199 1.444 -0.508) 1.544 9.434 ( 0.649 1.501 -0.027) 1.635 9.794 ( -0.577 3.452 0.185) 3.505 9.940 ( -0.467 -2.320 0.001) 2.366 10.399 ( -0.551 2.065 0.365) 2.168 10.432 ( 0.890 -2.517 0.591) 2.735 10.915 ( 1.005 -0.830 0.277) 1.332 10.940 ( 0.453 -2.518 -1.635) 3.037 11.142 ( -0.508 6.161 -0.080) 6.182 11.369 ( -2.486 -2.340 -0.656) 3.477 11.562 ( -0.838 4.886 2.491) 5.548 11.597 ( -1.507 3.499 1.117) 3.970 13.061 ( -1.393 2.392 1.930) 3.374 13.146 ( 2.117 -0.832 -0.573) 2.345 13.200 ( 0.973 -0.034 -1.910) 2.144 13.247 ( 0.184 -2.007 -0.236) 2.029 20.035 ( -0.464 2.246 0.701) 2.398 20.178 ( -0.366 -4.550 -0.201) 4.569 20.595 ( 0.594 4.068 -0.311) 4.123 20.670 ( 0.443 1.111 -1.060) 1.598 23.794 ( -0.078 0.833 0.790) 1.151 23.833 ( -0.034 -0.809 0.347) 0.881 24.731 ( -2.062 6.220 3.211) 7.297 25.068 ( -1.545 -8.646 -0.336) 8.789 25.951 ( -0.068 2.066 -0.230) 2.080 26.034 ( -1.198 -1.124 0.349) 1.679 26.368 ( -1.099 1.327 -0.369) 1.762 26.414 ( -0.386 -0.371 -1.608) 1.694 27.265 ( 0.829 -1.995 0.694) 2.269 27.297 ( -0.875 -3.284 0.605) 3.452 27.718 ( 1.855 5.058 0.071) 5.388 27.819 ( 2.097 1.089 0.456) 2.406 28.191 ( 0.779 0.489 -0.655) 1.130 28.217 ( 1.101 -0.299 -0.257) 1.170 28.501 ( -1.940 5.641 -0.239) 5.970 28.827 ( -1.976 -7.868 -1.452) 8.241 38.871 ( 1.348 -0.935 -0.049) 1.641 38.889 ( 0.717 -1.697 0.872) 2.038 39.359 ( 0.694 3.475 0.561) 3.588 39.500 ( 0.376 -2.716 -0.338) 2.763 73.316 ( 0.814 3.832 0.875) 4.015 73.485 ( -2.633 -3.606 1.631) 4.753 76.434 ( -3.485 12.544 2.573) 13.271 76.789 ( -3.175 -3.358 -4.694) 6.588 ======================= Grid point 102 (50/128) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.515 5.220 -2.666) 5.884 1.747 ( 0.503 -4.049 -7.587) 8.614 1.861 ( 5.719 3.540 -1.604) 6.914 1.941 ( 1.606 6.830 -0.981) 7.084 1.995 ( -6.877 1.516 0.421) 7.055 2.059 ( -0.532 -0.648 -1.830) 2.013 2.142 ( -0.238 -4.024 4.780) 6.253 2.269 ( -4.708 -6.756 2.065) 8.490 2.325 ( 1.209 -0.661 3.828) 4.069 2.473 ( -0.566 -7.311 -2.100) 7.627 2.905 ( -2.049 5.956 1.857) 6.566 3.012 ( 0.780 -0.032 -0.458) 0.905 3.121 ( 3.438 10.113 3.452) 11.225 3.203 ( 0.112 7.724 -1.113) 7.804 3.398 ( 1.516 -2.119 -2.303) 3.478 3.513 ( 1.042 -1.970 -2.556) 3.391 3.611 ( -1.169 -2.258 2.895) 3.853 3.967 ( -2.361 -7.320 -3.007) 8.258 4.029 ( -1.962 6.219 1.650) 6.726 4.241 ( 9.768 0.393 -2.539) 10.101 4.332 ( -1.231 0.327 2.582) 2.879 4.404 ( -6.433 -7.729 4.858) 11.168 4.632 ( -4.150 -0.535 0.732) 4.247 4.657 ( -2.209 1.448 2.024) 3.328 4.908 ( 2.454 -0.015 -0.166) 2.460 5.117 ( 2.966 -5.008 -1.300) 5.964 5.255 ( 2.650 4.935 1.253) 5.740 5.445 ( 1.342 -0.321 -2.345) 2.721 5.499 ( 1.136 0.558 -0.083) 1.268 5.538 ( 0.149 -4.004 -1.180) 4.176 5.588 ( -0.428 2.298 -2.446) 3.383 5.842 ( 0.393 -9.743 -1.773) 9.911 5.967 ( -1.602 -1.205 2.771) 3.420 6.102 ( -0.980 -5.035 0.138) 5.132 7.108 ( 1.453 5.736 -0.443) 5.933 7.157 ( -0.893 2.817 -0.954) 3.105 8.928 ( 0.511 -1.375 -0.166) 1.476 8.952 ( -0.187 -2.079 -0.575) 2.166 9.179 ( -0.419 0.282 0.992) 1.112 9.244 ( 0.360 -2.847 -0.503) 2.914 9.409 ( 0.156 1.638 -0.701) 1.789 9.443 ( 0.212 1.027 0.268) 1.083 9.789 ( -0.015 3.617 0.143) 3.620 9.933 ( -0.018 -2.057 -0.460) 2.108 10.388 ( -0.687 2.084 -0.089) 2.196 10.445 ( -0.166 -3.004 0.558) 3.060 10.926 ( 0.006 -0.510 0.193) 0.545 10.950 ( 1.377 -3.030 -0.455) 3.359 11.142 ( 0.410 5.138 0.402) 5.170 11.312 ( -1.721 -1.302 -2.985) 3.683 11.561 ( -1.009 5.169 2.519) 5.838 11.604 ( 0.681 3.448 2.410) 4.261 13.045 ( -1.465 2.387 1.122) 3.018 13.168 ( -0.124 -2.468 -0.125) 2.474 13.203 ( 0.927 0.757 -0.955) 1.531 13.248 ( 0.637 -1.204 -1.313) 1.892 20.038 ( 0.065 1.963 1.182) 2.293 20.169 ( -0.268 -4.138 -0.750) 4.214 20.603 ( 0.330 3.535 0.031) 3.550 20.671 ( 0.460 0.921 -0.914) 1.377 23.797 ( -0.233 0.927 0.839) 1.272 23.836 ( 0.003 -0.614 0.514) 0.801 24.723 ( -1.142 5.661 3.210) 6.607 25.041 ( -0.414 -8.206 -1.501) 8.352 25.957 ( 0.517 1.843 0.476) 1.972 26.020 ( -0.393 -0.958 0.102) 1.041 26.349 ( -0.416 1.702 -0.775) 1.916 26.410 ( 1.120 -0.806 -1.339) 1.923 27.277 ( -0.252 -2.594 0.553) 2.664 27.286 ( -0.433 -2.972 0.384) 3.027 27.752 ( 1.067 5.104 1.579) 5.448 27.839 ( -0.331 1.739 0.234) 1.786 28.206 ( 0.824 0.695 0.276) 1.113 28.243 ( 1.232 -0.105 1.314) 1.804 28.471 ( -0.724 4.703 -0.988) 4.860 28.774 ( -1.416 -7.413 -4.089) 8.583 38.887 ( 0.203 -1.205 0.353) 1.272 38.902 ( 0.061 -1.699 0.835) 1.894 39.371 ( -0.046 3.166 0.864) 3.283 39.496 ( -0.304 -2.313 -0.948) 2.518 73.338 ( 0.304 2.553 1.650) 3.055 73.446 ( -1.873 -2.187 0.107) 2.881 76.418 ( -0.379 11.409 3.100) 11.829 76.768 ( 3.832 -4.357 -2.144) 6.185 ======================= Grid point 103 (51/128) ======================= q-point: (-0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -12.113 0.882 -4.381) 12.911 1.635 ( -5.794 -9.045 -8.967) 13.992 1.769 ( -12.182 4.750 -1.347) 13.144 1.868 ( -3.979 1.181 -6.461) 7.680 1.947 ( 1.126 1.513 6.686) 6.947 2.079 ( -6.329 -5.288 4.879) 9.583 2.166 ( 6.134 -0.191 2.429) 6.600 2.273 ( 2.938 -2.444 0.781) 3.901 2.340 ( -1.154 1.518 -0.743) 2.046 2.473 ( 0.163 -4.196 -1.253) 4.382 2.893 ( -0.057 6.531 2.211) 6.895 3.029 ( 1.235 3.236 -0.599) 3.515 3.197 ( 2.806 5.491 0.182) 6.169 3.239 ( 0.962 4.861 3.106) 5.849 3.393 ( -1.391 -1.034 -3.180) 3.621 3.514 ( 2.638 6.367 -1.554) 7.065 3.628 ( -0.185 -5.929 5.046) 7.788 3.874 ( -3.552 -7.249 -6.017) 10.068 4.038 ( 1.303 6.474 2.194) 6.958 4.235 ( -9.583 -0.723 6.034) 11.347 4.387 ( 5.637 0.684 -0.061) 5.679 4.455 ( 7.672 -6.741 0.387) 10.220 4.589 ( 0.834 -0.380 -3.117) 3.249 4.649 ( 1.169 -2.744 -0.780) 3.083 5.022 ( 7.247 2.340 4.431) 8.810 5.189 ( 3.430 -3.557 0.250) 4.948 5.269 ( -2.555 4.791 3.171) 6.288 5.393 ( -3.411 4.885 -1.979) 6.278 5.494 ( -1.084 -2.857 -1.168) 3.272 5.558 ( 0.750 1.937 -2.057) 2.924 5.615 ( 6.132 -4.068 -1.844) 7.586 5.825 ( -0.584 -10.736 -3.054) 11.178 5.988 ( 1.883 -1.859 2.292) 3.501 6.079 ( -1.245 -5.039 -0.030) 5.190 7.104 ( -0.671 4.761 -0.232) 4.813 7.186 ( 3.625 2.219 -1.053) 4.379 8.944 ( 1.223 -1.491 0.018) 1.928 8.965 ( 2.086 -1.601 -0.794) 2.747 9.178 ( -0.292 0.901 0.416) 1.034 9.248 ( 0.211 -2.393 0.115) 2.405 9.407 ( 0.198 1.188 -0.854) 1.476 9.445 ( -0.292 -0.109 0.486) 0.577 9.797 ( 0.535 3.674 0.749) 3.787 9.936 ( 0.859 -1.783 -0.702) 2.100 10.373 ( -0.804 1.474 0.112) 1.682 10.434 ( -1.247 -3.143 0.348) 3.400 10.929 ( -0.113 -0.110 0.331) 0.367 10.963 ( 0.273 -2.580 -0.725) 2.694 11.165 ( 1.451 4.720 1.185) 5.078 11.275 ( 0.659 0.358 -3.691) 3.767 11.561 ( -0.999 5.761 2.697) 6.439 11.649 ( 1.980 2.343 2.166) 3.755 13.024 ( -1.291 2.073 0.343) 2.466 13.144 ( -1.616 -2.444 -0.673) 3.006 13.215 ( 0.489 0.701 -0.665) 1.083 13.255 ( 0.784 -0.396 -0.329) 0.938 20.053 ( 0.408 1.529 1.585) 2.240 20.159 ( 0.066 -3.310 -1.124) 3.497 20.609 ( 0.238 3.664 0.193) 3.677 20.675 ( 0.655 1.101 -0.982) 1.614 23.797 ( -0.413 0.921 0.860) 1.326 23.841 ( 0.060 -0.797 0.642) 1.026 24.736 ( -0.197 5.328 3.880) 6.594 25.033 ( 0.805 -7.447 -1.967) 7.744 25.976 ( 0.970 1.395 0.893) 1.919 26.017 ( 0.015 -0.544 -0.406) 0.679 26.343 ( 0.705 2.680 -1.432) 3.119 26.436 ( 2.373 -1.382 -0.682) 2.829 27.263 ( -1.299 -2.230 0.618) 2.653 27.289 ( 0.163 -3.189 0.366) 3.214 27.781 ( 0.349 4.440 2.562) 5.138 27.815 ( -1.976 3.142 -0.259) 3.721 28.221 ( 0.215 1.371 0.940) 1.676 28.276 ( 1.022 0.549 1.341) 1.773 28.465 ( 0.622 1.765 0.048) 1.872 28.711 ( -1.218 -7.346 -6.889) 10.144 38.881 ( -1.180 -0.893 0.439) 1.544 38.908 ( -0.266 -2.089 1.269) 2.459 39.369 ( -0.931 2.691 1.273) 3.118 39.477 ( -0.713 -1.961 -1.435) 2.532 73.343 ( -1.333 1.834 2.084) 3.080 73.428 ( 0.245 -1.331 -0.569) 1.468 76.468 ( 3.501 14.471 3.003) 15.189 76.908 ( 11.852 -5.389 -0.219) 13.021 ======================= Grid point 104 (52/128) ======================= q-point: (-0.30 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -16.978 0.625 -2.840) 17.226 1.459 ( -6.036 -6.282 -6.707) 10.994 1.535 ( -7.645 -0.202 -5.150) 9.220 1.778 ( -0.505 -2.181 -6.069) 6.468 1.941 ( -7.518 -1.981 5.515) 9.532 2.044 ( -1.346 -4.429 5.099) 6.887 2.217 ( -4.833 0.340 0.891) 4.926 2.304 ( 0.917 0.583 -0.444) 1.173 2.359 ( 4.200 1.339 0.629) 4.453 2.466 ( 0.610 -0.075 0.577) 0.843 2.912 ( -1.278 5.997 2.354) 6.568 3.052 ( 1.263 2.956 -0.865) 3.329 3.190 ( -3.203 3.030 -3.595) 5.689 3.274 ( 3.457 8.241 1.849) 9.126 3.346 ( -0.692 -2.012 -0.319) 2.151 3.582 ( 3.409 3.925 1.895) 5.534 3.665 ( -1.681 -4.832 5.892) 7.803 3.769 ( -1.702 -6.171 -6.500) 9.123 4.090 ( 0.669 5.370 3.205) 6.290 4.127 ( -4.197 0.943 4.595) 6.294 4.486 ( 3.062 -2.220 2.101) 4.326 4.561 ( 4.696 -2.696 -1.741) 5.687 4.626 ( 4.121 -2.146 -2.673) 5.360 4.724 ( 8.797 -2.746 -4.187) 10.122 5.141 ( -4.833 4.886 5.828) 9.011 5.188 ( -2.303 1.128 -0.759) 2.674 5.267 ( 3.839 0.446 1.785) 4.257 5.339 ( -2.738 3.159 -0.076) 4.181 5.473 ( 2.094 1.574 -0.960) 2.790 5.563 ( 1.826 -2.138 -2.692) 3.893 5.745 ( 7.277 -4.663 -0.048) 8.643 5.776 ( -0.592 -8.003 -4.933) 9.420 6.052 ( 1.000 -3.532 0.711) 3.739 6.069 ( 2.227 -3.398 0.778) 4.137 7.103 ( 1.113 3.816 -0.517) 4.008 7.252 ( 3.809 -0.720 -0.659) 3.932 8.979 ( 2.553 -0.519 -0.214) 2.614 9.013 ( 3.363 -1.043 -0.557) 3.565 9.173 ( -0.192 1.477 -0.212) 1.504 9.252 ( -0.249 -2.214 0.771) 2.358 9.403 ( 0.118 0.938 -1.092) 1.444 9.439 ( -0.753 -1.321 0.543) 1.615 9.821 ( 0.893 3.551 1.774) 4.069 9.957 ( 1.846 -1.891 -0.530) 2.695 10.359 ( -0.847 0.881 0.238) 1.245 10.407 ( -1.831 -2.760 0.571) 3.361 10.910 ( -1.817 -0.272 -0.930) 2.059 10.953 ( -0.767 -1.869 -0.493) 2.079 11.216 ( 3.018 4.746 1.636) 5.858 11.287 ( 3.098 1.529 -3.323) 4.794 11.565 ( -0.776 6.164 3.137) 6.960 11.699 ( 1.731 1.420 1.357) 2.618 13.001 ( -1.076 1.564 -0.248) 1.915 13.105 ( -1.620 -2.303 -1.477) 3.180 13.215 ( 0.068 1.811 0.057) 1.813 13.272 ( 0.707 0.009 0.809) 1.075 20.074 ( 0.461 1.148 1.734) 2.130 20.157 ( 0.573 -2.494 -1.167) 2.813 20.617 ( 0.541 4.319 -0.019) 4.352 20.684 ( 1.201 1.550 -1.162) 2.279 23.794 ( -0.492 0.868 0.819) 1.291 23.848 ( 0.173 -1.285 0.722) 1.485 24.771 ( 0.192 4.848 5.391) 7.253 25.039 ( 1.073 -6.301 -1.579) 6.584 26.004 ( 0.733 0.575 -0.862) 1.269 26.015 ( 0.812 0.196 0.591) 1.023 26.358 ( 2.232 4.235 -1.764) 5.102 26.489 ( 3.435 -1.794 0.013) 3.875 27.242 ( -1.378 -1.461 0.873) 2.190 27.296 ( 0.289 -3.405 0.529) 3.458 27.768 ( -2.172 3.943 -0.936) 4.597 27.803 ( -0.269 3.087 2.780) 4.163 28.227 ( -0.403 2.533 1.360) 2.903 28.295 ( 0.807 0.865 -0.801) 1.429 28.497 ( 1.377 -1.734 3.059) 3.776 28.624 ( -1.638 -6.653 -9.491) 11.705 38.852 ( -2.150 -0.168 0.491) 2.212 38.907 ( -1.106 -3.001 1.922) 3.732 39.354 ( -1.719 2.186 1.595) 3.206 39.450 ( -0.895 -1.804 -1.602) 2.573 73.329 ( -1.311 2.158 1.904) 3.162 73.438 ( 0.805 -1.655 -0.012) 1.840 76.606 ( 9.442 20.908 1.934) 23.022 77.207 ( 18.817 -6.445 0.840) 19.908 ======================= Grid point 105 (53/128) ======================= q-point: (-0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -6.842 10.469 0.519) 12.518 1.246 ( -10.428 14.973 -3.320) 18.546 1.498 ( 6.019 -17.168 -9.382) 20.470 1.749 ( -0.810 -3.278 -0.595) 3.429 1.827 ( -5.392 1.831 -0.656) 5.732 2.011 ( -3.361 -9.626 1.179) 10.264 2.087 ( -8.484 4.795 2.391) 10.034 2.271 ( -3.009 -5.046 -3.449) 6.813 2.454 ( 3.142 3.291 0.427) 4.570 2.514 ( 2.136 1.005 6.181) 6.616 2.855 ( -4.645 5.791 2.192) 7.740 3.033 ( -1.953 0.897 -1.595) 2.676 3.176 ( 3.650 0.614 -3.011) 4.771 3.272 ( -3.762 1.827 2.504) 4.875 3.418 ( 5.218 5.987 0.411) 7.953 3.622 ( -2.522 -1.086 3.501) 4.450 3.656 ( 1.513 -1.361 -2.388) 3.138 3.742 ( 1.535 -3.979 0.109) 4.266 4.070 ( -2.855 3.027 4.089) 5.834 4.164 ( 2.203 1.027 0.840) 2.572 4.519 ( -0.062 -3.286 1.106) 3.467 4.632 ( 1.014 -6.532 2.782) 7.172 4.708 ( 6.556 2.926 -2.961) 7.766 4.845 ( 4.224 -0.365 -1.049) 4.367 5.034 ( -4.327 3.977 -2.451) 6.368 5.152 ( -1.617 4.599 1.381) 5.067 5.253 ( -4.920 -2.730 1.471) 5.816 5.285 ( -0.688 -2.775 -3.808) 4.762 5.573 ( 0.681 -0.810 -1.358) 1.722 5.624 ( 8.613 3.078 2.552) 9.496 5.700 ( -0.760 -3.060 -4.229) 5.275 5.909 ( 8.387 -2.700 -2.212) 9.085 6.056 ( -0.048 -1.074 1.507) 1.851 6.137 ( 2.700 -3.412 -0.209) 4.356 7.145 ( 3.883 1.473 -0.751) 4.220 7.313 ( 2.804 -3.592 -0.491) 4.583 9.036 ( 3.404 0.891 -0.186) 3.523 9.079 ( 3.712 -0.548 -0.318) 3.765 9.169 ( -0.153 1.422 -0.093) 1.433 9.245 ( -1.203 -2.274 1.022) 2.768 9.397 ( 0.232 0.961 -1.101) 1.480 9.424 ( -0.962 -1.590 -0.009) 1.858 9.853 ( 0.649 3.220 2.595) 4.186 9.994 ( 2.193 -2.554 -0.246) 3.376 10.347 ( -0.497 0.034 0.256) 0.560 10.376 ( -1.834 -1.826 1.048) 2.792 10.856 ( -2.808 0.124 -1.102) 3.019 10.926 ( -1.387 -2.040 -1.016) 2.668 11.301 ( 4.439 3.925 1.315) 6.070 11.329 ( 3.286 2.949 -2.743) 5.198 11.580 ( -0.119 5.238 3.355) 6.222 11.728 ( 0.438 0.533 0.740) 1.012 12.979 ( -0.941 1.408 -0.556) 1.783 13.067 ( -0.924 -2.022 -1.581) 2.728 13.227 ( 0.760 2.588 0.938) 2.856 13.290 ( 0.585 0.460 0.860) 1.137 20.094 ( 0.249 0.941 1.631) 1.899 20.164 ( 0.979 -2.173 -0.969) 2.573 20.628 ( 1.002 5.014 -1.122) 5.235 20.707 ( 2.406 1.708 -1.710) 3.410 23.791 ( -0.401 0.852 0.674) 1.157 23.857 ( 0.188 -1.906 0.700) 2.039 24.815 ( -0.602 3.816 7.291) 8.251 25.049 ( 0.718 -5.096 -0.416) 5.163 25.985 ( -0.640 1.541 -1.958) 2.573 26.058 ( 2.002 -1.427 1.222) 2.745 26.414 ( 5.242 5.908 -1.223) 7.992 26.561 ( 3.752 -1.585 0.210) 4.079 27.222 ( -1.529 -0.305 0.804) 1.754 27.310 ( 0.619 -3.295 0.958) 3.487 27.723 ( -1.401 3.548 -1.728) 4.188 27.809 ( -0.556 0.741 0.582) 1.094 28.226 ( -0.462 2.603 0.279) 2.659 28.298 ( 0.606 0.071 -2.425) 2.500 28.509 ( -2.180 -3.157 -6.608) 7.641 28.561 ( 1.106 -3.655 3.770) 5.366 38.809 ( -2.588 0.460 0.607) 2.698 38.888 ( -2.821 -4.082 2.566) 5.586 39.329 ( -2.053 1.906 1.540) 3.197 39.422 ( -0.811 -1.862 -1.504) 2.527 73.324 ( -0.879 2.607 2.383) 3.639 73.455 ( 0.835 -2.381 0.300) 2.541 76.859 ( 16.872 26.856 -2.186) 31.791 77.604 ( 21.843 -7.744 -1.538) 23.226 ======================= Grid point 106 (54/128) ======================= q-point: (-0.10 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 2.928 18.994 -6.235) 20.204 1.094 ( -2.954 20.752 1.856) 21.044 1.517 ( 1.741 -8.590 -6.541) 10.936 1.669 ( -7.669 5.667 4.886) 10.715 1.774 ( 0.931 -6.883 -6.346) 9.408 1.958 ( -4.526 6.639 0.259) 8.040 2.025 ( 2.510 -12.596 2.783) 13.141 2.175 ( -2.349 -6.095 -4.212) 7.772 2.459 ( -0.564 0.805 -0.773) 1.250 2.602 ( 0.386 -1.471 4.265) 4.528 2.834 ( -0.761 3.329 5.341) 6.340 2.974 ( -3.414 -0.626 1.395) 3.741 3.192 ( -2.048 2.866 -0.395) 3.545 3.244 ( 1.573 0.047 -1.803) 2.393 3.456 ( -1.241 3.475 0.752) 3.766 3.599 ( -0.748 3.597 -3.132) 4.828 3.696 ( 4.686 -4.742 0.971) 6.737 3.810 ( 3.805 -0.898 1.148) 4.074 4.047 ( -1.725 2.484 1.655) 3.447 4.191 ( 1.238 -1.168 -1.640) 2.363 4.491 ( -5.318 -1.810 3.155) 6.443 4.653 ( 0.299 -3.675 2.298) 4.344 4.764 ( -0.867 1.744 1.887) 2.712 4.873 ( -2.205 -0.214 3.139) 3.842 4.979 ( 0.447 5.454 -3.364) 6.424 5.100 ( -0.160 2.350 -3.279) 4.037 5.255 ( 1.325 -2.061 -3.864) 4.576 5.288 ( 5.219 -5.794 2.701) 8.252 5.544 ( -3.002 0.681 0.460) 3.113 5.632 ( -0.048 -1.148 -1.556) 1.934 5.837 ( 9.123 6.361 -3.441) 11.642 5.994 ( 0.892 -1.948 -0.325) 2.167 6.079 ( 1.288 1.126 0.644) 1.828 6.145 ( -0.886 -2.490 -1.805) 3.201 7.236 ( 5.800 -1.787 -0.785) 6.120 7.345 ( 0.833 -5.037 -0.574) 5.137 9.097 ( 2.650 1.947 0.150) 3.291 9.137 ( 2.191 -0.132 -0.284) 2.213 9.171 ( 0.293 0.414 0.917) 1.048 9.224 ( -1.622 -2.095 1.205) 2.911 9.396 ( 0.309 0.836 -0.762) 1.172 9.405 ( -0.462 -0.651 -1.240) 1.475 9.877 ( -0.306 2.883 2.825) 4.048 10.026 ( 1.041 -3.229 -0.334) 3.409 10.342 ( -1.258 -1.806 2.123) 3.058 10.363 ( 0.594 -0.933 -0.089) 1.110 10.798 ( -2.345 1.252 -0.509) 2.707 10.895 ( -0.740 -2.454 -1.415) 2.927 11.366 ( 2.037 4.682 -1.107) 5.225 11.388 ( 3.927 3.011 -0.464) 4.970 11.601 ( -0.095 2.875 1.849) 3.420 11.725 ( -1.169 -0.831 -0.032) 1.434 12.964 ( -0.163 1.818 0.030) 1.825 13.054 ( 0.337 -1.842 -0.261) 1.891 13.244 ( -0.018 2.043 0.407) 2.083 13.305 ( 0.692 0.125 -0.891) 1.135 20.105 ( -0.231 0.916 1.340) 1.640 20.178 ( 0.967 -2.481 -0.585) 2.726 20.637 ( 1.285 5.204 -2.380) 5.865 20.739 ( 2.603 0.904 -4.543) 5.313 23.789 ( -0.209 0.853 0.390) 0.961 23.862 ( -0.158 -2.428 0.499) 2.484 24.843 ( -2.672 3.091 8.127) 9.096 25.058 ( 0.088 -4.654 0.520) 4.684 25.970 ( 0.293 2.549 -0.165) 2.571 26.097 ( 1.042 -3.071 1.376) 3.523 26.531 ( 6.692 4.003 -1.479) 7.937 26.619 ( 2.070 -0.849 -0.847) 2.392 27.195 ( -1.507 2.242 0.630) 2.774 27.332 ( 0.574 -2.969 1.750) 3.494 27.692 ( -0.120 2.253 -2.842) 3.628 27.774 ( -1.415 -0.802 -6.134) 6.346 28.206 ( -0.802 1.469 -2.566) 3.064 28.271 ( -0.225 -1.436 -5.231) 5.429 28.484 ( 2.220 1.759 4.702) 5.489 28.614 ( 0.049 -3.990 6.348) 7.498 38.768 ( -2.240 0.602 0.883) 2.482 38.833 ( -4.790 -3.525 2.617) 6.498 39.303 ( -1.503 2.111 1.001) 2.778 39.401 ( -0.232 -1.983 -1.317) 2.392 73.326 ( -0.953 3.062 2.561) 4.104 73.474 ( 0.700 -3.239 0.831) 3.416 77.169 ( 18.303 25.622 -9.452) 32.876 77.917 ( 13.454 -8.512 -14.593) 21.597 ======================= Grid point 107 (55/128) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 5.059 -19.446 -15.352) 25.287 1.192 ( 5.059 19.446 -15.352) 25.287 1.433 ( -4.044 -13.382 -2.989) 14.296 1.433 ( -4.044 13.382 -2.989) 14.296 1.940 ( 2.066 -5.914 12.667) 14.132 1.940 ( 2.066 5.914 12.667) 14.132 2.018 ( 1.783 -5.002 -5.240) 7.461 2.018 ( 1.783 5.002 -5.240) 7.461 2.472 ( -3.409 -5.288 0.561) 6.316 2.472 ( -3.409 5.288 0.561) 6.316 2.916 ( -1.687 -3.359 6.293) 7.330 2.916 ( -1.687 3.359 6.293) 7.330 3.251 ( 1.660 -1.761 -1.306) 2.750 3.251 ( 1.660 1.761 -1.306) 2.750 3.528 ( 1.768 -7.042 -1.085) 7.342 3.528 ( 1.768 7.042 -1.085) 7.342 3.774 ( -1.765 -4.427 1.570) 5.018 3.774 ( -1.765 4.427 1.570) 5.018 4.177 ( 4.515 -5.682 -2.059) 7.544 4.177 ( 4.515 5.682 -2.059) 7.544 4.487 ( -4.724 -9.772 1.084) 10.907 4.487 ( -4.724 9.772 1.084) 10.907 4.757 ( -5.262 -1.579 3.398) 6.460 4.757 ( -5.262 1.579 3.398) 6.460 5.142 ( 4.036 -5.268 -0.555) 6.659 5.142 ( 4.036 5.268 -0.555) 6.659 5.281 ( 4.024 -4.629 0.878) 6.196 5.281 ( 4.024 4.629 0.878) 6.196 5.587 ( -0.437 -4.045 -0.247) 4.076 5.587 ( -0.437 4.045 -0.247) 4.076 5.987 ( 1.263 -2.796 -6.546) 7.229 5.987 ( 1.263 2.796 -6.546) 7.229 6.060 ( -3.302 -1.704 0.341) 3.731 6.060 ( -3.302 1.704 0.341) 3.731 7.278 ( 0.853 -0.967 -0.634) 1.437 7.278 ( 0.853 0.967 -0.634) 1.437 9.156 ( 0.174 -0.666 0.182) 0.712 9.156 ( 0.174 0.666 0.182) 0.712 9.183 ( -0.610 -1.090 1.598) 2.028 9.183 ( -0.610 1.090 1.598) 2.028 9.400 ( 0.637 -0.415 -1.950) 2.093 9.400 ( 0.637 0.415 -1.950) 2.093 9.951 ( -1.171 -3.751 1.572) 4.232 9.951 ( -1.171 3.751 1.572) 4.232 10.334 ( -0.253 -1.431 1.663) 2.209 10.334 ( -0.253 1.431 1.663) 2.209 10.829 ( 0.624 -2.619 -0.929) 2.848 10.829 ( 0.624 2.619 -0.929) 2.848 11.464 ( 1.936 -1.331 -1.145) 2.614 11.464 ( 1.936 1.331 -1.145) 2.614 11.645 ( -1.876 -2.764 0.348) 3.359 11.645 ( -1.876 2.764 0.348) 3.359 13.027 ( 1.120 -2.475 1.485) 3.096 13.027 ( 1.120 2.475 1.485) 3.096 13.258 ( -1.597 -1.426 -1.941) 2.889 13.258 ( -1.597 1.426 -1.941) 2.889 20.136 ( -0.331 -2.014 0.649) 2.142 20.136 ( -0.331 2.014 0.649) 2.142 20.714 ( 0.748 -2.077 -4.216) 4.760 20.714 ( 0.748 2.077 -4.216) 4.760 23.813 ( -0.418 -1.663 0.268) 1.735 23.813 ( -0.418 1.663 0.268) 1.735 24.948 ( -1.168 -5.931 2.628) 6.592 24.948 ( -1.168 5.931 2.628) 6.592 26.055 ( 0.697 -2.886 2.360) 3.792 26.055 ( 0.697 2.886 2.360) 3.792 26.598 ( -0.867 -0.684 -3.371) 3.547 26.598 ( -0.867 0.684 -3.371) 3.547 27.280 ( -0.259 -3.916 2.222) 4.510 27.280 ( -0.259 3.916 2.222) 4.510 27.701 ( 0.885 -0.870 -5.516) 5.654 27.701 ( 0.885 0.870 -5.516) 5.654 28.203 ( 0.057 -1.524 -3.528) 3.844 28.203 ( 0.057 1.524 -3.528) 3.844 28.606 ( 1.104 -1.191 7.262) 7.442 28.606 ( 1.104 1.191 7.262) 7.442 38.757 ( -1.186 -0.976 1.227) 1.966 38.757 ( -1.186 0.976 1.227) 1.966 39.346 ( 0.313 -2.676 -0.356) 2.718 39.346 ( 0.313 2.676 -0.356) 2.718 73.406 ( -0.553 -4.186 2.227) 4.774 73.406 ( -0.553 4.186 2.227) 4.774 77.667 ( -0.434 -12.295 -16.183) 20.329 77.667 ( -0.434 12.295 -16.183) 20.329 ======================= Grid point 109 (56/128) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.098 -20.375 -11.291) 23.321 1.146 ( 1.098 20.375 -11.291) 23.321 1.415 ( 4.973 -14.175 -1.366) 15.084 1.415 ( 4.973 14.175 -1.366) 15.084 1.942 ( -2.428 -3.996 -1.833) 5.022 1.942 ( -2.428 3.996 -1.833) 5.022 2.111 ( 3.891 -4.340 4.551) 7.395 2.111 ( 3.891 4.340 4.551) 7.395 2.450 ( -0.167 -6.496 1.284) 6.623 2.450 ( -0.167 6.496 1.284) 6.623 2.948 ( 1.215 -4.045 4.764) 6.366 2.948 ( 1.215 4.045 4.764) 6.366 3.259 ( -0.424 -2.042 -1.171) 2.392 3.259 ( -0.424 2.042 -1.171) 2.392 3.567 ( 2.029 -3.728 -0.467) 4.270 3.567 ( 2.029 3.728 -0.467) 4.270 3.730 ( -3.078 -5.678 2.117) 6.797 3.730 ( -3.078 5.678 2.117) 6.797 4.229 ( -1.092 -7.818 2.455) 8.267 4.229 ( -1.092 7.818 2.455) 8.267 4.416 ( -0.335 -10.011 -2.444) 10.311 4.416 ( -0.335 10.011 -2.444) 10.311 4.711 ( -0.241 -2.332 -1.032) 2.562 4.711 ( -0.241 2.332 -1.032) 2.562 5.234 ( 4.235 -4.914 2.636) 7.002 5.234 ( 4.235 4.914 2.636) 7.002 5.334 ( -0.546 -5.440 2.472) 6.001 5.334 ( -0.546 5.440 2.472) 6.001 5.557 ( -2.434 -4.369 -1.067) 5.114 5.557 ( -2.434 4.369 -1.067) 5.114 5.869 ( -5.942 -5.763 -6.551) 10.556 5.869 ( -5.942 5.763 -6.551) 10.556 6.042 ( 0.294 -4.968 -0.749) 5.033 6.042 ( 0.294 4.968 -0.749) 5.033 7.270 ( -1.226 -3.694 -0.215) 3.898 7.270 ( -1.226 3.694 -0.215) 3.898 9.133 ( -2.767 -0.995 0.172) 2.945 9.133 ( -2.767 0.995 0.172) 2.945 9.189 ( 0.116 -1.238 1.275) 1.781 9.189 ( 0.116 1.238 1.275) 1.781 9.400 ( 0.909 -0.394 -1.818) 2.071 9.400 ( 0.909 0.394 -1.818) 2.071 9.931 ( -1.805 -3.519 1.202) 4.134 9.931 ( -1.805 3.519 1.202) 4.134 10.348 ( 0.339 -2.032 1.722) 2.685 10.348 ( 0.339 2.032 1.722) 2.685 10.850 ( 2.027 -2.051 -0.862) 3.010 10.850 ( 2.027 2.051 -0.862) 3.010 11.462 ( -1.673 -3.426 -0.570) 3.855 11.462 ( -1.673 3.426 -0.570) 3.855 11.623 ( -0.289 -3.434 -0.005) 3.446 11.623 ( -0.289 3.434 -0.005) 3.446 13.066 ( 1.146 -2.097 2.560) 3.502 13.066 ( 1.146 2.097 2.560) 3.502 13.209 ( -1.178 -0.734 -3.000) 3.305 13.209 ( -1.178 0.734 -3.000) 3.305 20.130 ( -0.766 -2.435 0.553) 2.612 20.130 ( -0.766 2.435 0.553) 2.612 20.693 ( 0.310 -1.338 -3.840) 4.079 20.693 ( 0.310 1.338 -3.840) 4.079 23.807 ( -0.359 -1.454 0.250) 1.519 23.807 ( -0.359 1.454 0.250) 1.519 24.944 ( -1.263 -6.754 2.483) 7.306 24.944 ( -1.263 6.754 2.483) 7.306 26.076 ( -0.817 -1.247 2.485) 2.898 26.076 ( -0.817 1.247 2.485) 2.898 26.532 ( -2.508 -1.271 -3.442) 4.444 26.532 ( -2.508 1.271 -3.442) 4.444 27.276 ( -1.607 -3.508 1.974) 4.334 27.276 ( -1.607 3.508 1.974) 4.334 27.696 ( 2.513 -1.479 -5.159) 5.926 27.696 ( 2.513 1.479 -5.159) 5.926 28.189 ( 0.696 -1.225 -2.683) 3.030 28.189 ( 0.696 1.225 -2.683) 3.030 28.670 ( 0.004 -4.162 6.467) 7.691 28.670 ( 0.004 4.162 6.467) 7.691 38.764 ( 1.026 -1.033 0.789) 1.656 38.764 ( 1.026 1.033 0.789) 1.656 39.359 ( 1.225 -3.060 -0.190) 3.302 39.359 ( 1.225 3.060 -0.190) 3.302 73.410 ( -0.795 -4.883 2.382) 5.491 73.410 ( -0.795 4.883 2.382) 5.491 77.422 ( -11.248 -7.144 -15.456) 20.407 77.422 ( -11.248 7.144 -15.456) 20.407 ======================= Grid point 111 (57/128) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 7.403 -15.822 -2.230) 17.610 1.163 ( 7.403 15.822 -2.230) 17.610 1.556 ( 9.768 -13.223 -1.977) 16.558 1.556 ( 9.768 13.223 -1.977) 16.558 1.887 ( -1.039 -6.356 -1.919) 6.720 1.887 ( -1.039 6.356 -1.919) 6.720 2.164 ( 0.298 -5.641 -2.242) 6.077 2.164 ( 0.298 5.641 -2.242) 6.077 2.478 ( 0.924 -5.398 5.014) 7.425 2.478 ( 0.924 5.398 5.014) 7.425 3.019 ( 2.474 -5.479 2.104) 6.369 3.019 ( 2.474 5.479 2.104) 6.369 3.226 ( -1.129 -2.202 -1.011) 2.673 3.226 ( -1.129 2.202 -1.011) 2.673 3.543 ( -3.738 -5.278 -1.064) 6.555 3.543 ( -3.738 5.278 -1.064) 6.555 3.733 ( 0.164 -7.179 4.507) 8.478 3.733 ( 0.164 7.179 4.507) 8.478 4.181 ( -4.479 -5.624 3.685) 8.079 4.181 ( -4.479 5.624 3.685) 8.079 4.425 ( 1.764 -4.938 -3.425) 6.263 4.425 ( 1.764 4.938 -3.425) 6.263 4.733 ( 4.142 -3.533 -3.823) 6.653 4.733 ( 4.142 3.533 -3.823) 6.653 5.246 ( -7.151 -3.617 3.167) 8.617 5.246 ( -7.151 3.617 3.167) 8.617 5.342 ( 0.301 -2.383 1.498) 2.831 5.342 ( 0.301 2.383 1.498) 2.831 5.487 ( -1.841 -2.808 -2.951) 4.470 5.487 ( -1.841 2.808 -2.951) 4.470 5.740 ( -3.262 -4.474 -2.623) 6.126 5.740 ( -3.262 4.474 -2.623) 6.126 6.043 ( 0.159 -3.280 -0.351) 3.303 6.043 ( 0.159 3.280 -0.351) 3.303 7.237 ( -1.866 -5.241 -0.092) 5.564 7.237 ( -1.866 5.241 -0.092) 5.564 9.067 ( -3.941 -1.271 -0.057) 4.141 9.067 ( -3.941 1.271 -0.057) 4.141 9.198 ( -0.023 -1.238 0.693) 1.419 9.198 ( -0.023 1.238 0.693) 1.419 9.409 ( 1.231 -0.480 -1.394) 1.920 9.409 ( 1.231 0.480 -1.394) 1.920 9.905 ( -1.591 -3.553 0.913) 3.999 9.905 ( -1.591 3.553 0.913) 3.999 10.370 ( 0.719 -1.867 1.497) 2.498 10.370 ( 0.719 1.867 1.497) 2.498 10.883 ( 1.929 -1.009 -1.013) 2.401 10.883 ( 1.929 1.009 -1.013) 2.401 11.403 ( -3.601 -5.775 -0.469) 6.822 11.403 ( -3.601 5.775 -0.469) 6.822 11.627 ( 0.098 -3.462 0.576) 3.511 11.627 ( 0.098 3.462 0.576) 3.511 13.096 ( 0.300 -0.972 1.715) 1.994 13.096 ( 0.300 0.972 1.715) 1.994 13.185 ( 0.637 -0.609 -1.763) 1.971 13.185 ( 0.637 0.609 -1.763) 1.971 20.117 ( -0.902 -2.931 0.444) 3.098 20.117 ( -0.902 2.931 0.444) 3.098 20.674 ( 0.279 -1.867 -2.589) 3.205 20.674 ( 0.279 1.867 -2.589) 3.205 23.805 ( -0.129 -1.251 0.421) 1.326 23.805 ( -0.129 1.251 0.421) 1.326 24.935 ( -1.600 -7.840 2.306) 8.327 24.935 ( -1.600 7.840 2.306) 8.327 26.056 ( -2.316 -1.719 1.001) 3.053 26.056 ( -2.316 1.719 1.001) 3.053 26.471 ( -1.879 -1.161 -1.870) 2.894 26.471 ( -1.879 1.161 -1.870) 2.894 27.258 ( -1.210 -2.899 1.196) 3.361 27.258 ( -1.210 2.899 1.196) 3.361 27.718 ( 3.021 -1.892 -3.524) 5.012 27.718 ( 3.021 1.892 -3.524) 5.012 28.187 ( 0.929 -0.813 -2.034) 2.380 28.187 ( 0.929 0.813 -2.034) 2.380 28.695 ( -1.393 -6.942 4.280) 8.274 28.695 ( -1.393 6.942 4.280) 8.274 38.799 ( 1.944 -0.778 0.522) 2.158 38.799 ( 1.944 0.778 0.522) 2.158 39.386 ( 1.591 -3.486 -0.020) 3.832 39.386 ( 1.591 3.486 -0.020) 3.832 73.411 ( -0.908 -5.475 2.312) 6.012 73.411 ( -0.908 5.475 2.312) 6.012 77.088 ( -12.870 -10.271 -9.747) 19.134 77.088 ( -12.870 10.271 -9.747) 19.134 ======================= Grid point 113 (58/128) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 14.227 -9.151 -0.523) 16.924 1.378 ( 14.227 9.151 -0.523) 16.924 1.723 ( 8.804 -9.590 -1.769) 13.138 1.723 ( 8.804 9.590 -1.769) 13.138 1.902 ( 2.872 -7.337 2.235) 8.190 1.902 ( 2.872 7.337 2.235) 8.190 2.114 ( -1.502 -5.708 -5.135) 7.823 2.114 ( -1.502 5.708 -5.135) 7.823 2.530 ( -0.940 -3.864 5.604) 6.871 2.530 ( -0.940 3.864 5.604) 6.871 3.032 ( -1.386 -5.231 -0.145) 5.414 3.032 ( -1.386 5.231 -0.145) 5.414 3.230 ( 1.883 -2.224 -1.588) 3.319 3.230 ( 1.883 2.224 -1.588) 3.319 3.457 ( -4.187 -6.668 0.041) 7.874 3.457 ( -4.187 6.668 0.041) 7.874 3.758 ( -0.710 -8.510 3.358) 9.176 3.758 ( -0.710 8.510 3.358) 9.176 4.137 ( -2.219 -2.625 1.796) 3.878 4.137 ( -2.219 2.625 1.796) 3.878 4.414 ( -0.812 -5.047 -1.440) 5.311 4.414 ( -0.812 5.047 -1.440) 5.311 4.781 ( 1.689 -2.952 -1.762) 3.831 4.781 ( 1.689 2.952 -1.762) 3.831 5.103 ( -7.909 -5.547 0.372) 9.667 5.103 ( -7.909 5.547 0.372) 9.667 5.281 ( -2.604 -4.559 -2.880) 5.989 5.281 ( -2.604 4.559 -2.880) 5.989 5.500 ( 2.115 -5.225 -0.322) 5.645 5.500 ( 2.115 5.225 -0.322) 5.645 5.699 ( -0.668 -4.741 0.106) 4.789 5.699 ( -0.668 4.741 0.106) 4.789 6.039 ( -0.898 -0.186 0.947) 1.318 6.039 ( -0.898 0.186 0.947) 1.318 7.205 ( -1.229 -4.892 -0.398) 5.060 7.205 ( -1.229 4.892 -0.398) 5.060 8.994 ( -3.394 -1.405 -0.254) 3.682 8.994 ( -3.394 1.405 -0.254) 3.682 9.198 ( -0.305 -1.308 0.369) 1.393 9.198 ( -0.305 1.308 0.369) 1.393 9.424 ( 1.254 -0.682 -1.058) 1.777 9.424 ( 1.254 0.682 -1.058) 1.777 9.886 ( -1.055 -3.713 0.678) 3.919 9.886 ( -1.055 3.713 0.678) 3.919 10.394 ( 0.749 -1.108 1.054) 1.703 10.394 ( 0.749 1.108 1.054) 1.703 10.903 ( 0.944 -0.811 -1.031) 1.616 10.903 ( 0.944 0.811 -1.031) 1.616 11.333 ( -3.164 -6.591 -0.592) 7.335 11.333 ( -3.164 6.591 -0.592) 7.335 11.629 ( -0.643 -1.976 1.346) 2.476 11.629 ( -0.643 1.976 1.346) 2.476 13.109 ( 0.237 -1.211 0.765) 1.452 13.109 ( 0.237 1.211 0.765) 1.452 13.196 ( 1.029 -1.445 -0.707) 1.909 13.196 ( 1.029 1.445 -0.707) 1.909 20.104 ( -0.772 -3.337 0.402) 3.449 20.104 ( -0.772 3.337 0.402) 3.449 20.665 ( 0.258 -2.084 -1.529) 2.597 20.665 ( 0.258 2.084 -1.529) 2.597 23.808 ( 0.038 -1.077 0.618) 1.242 23.808 ( 0.038 1.077 0.618) 1.242 24.914 ( -2.089 -8.482 1.774) 8.914 24.914 ( -2.089 8.482 1.774) 8.914 26.019 ( -1.755 -2.474 0.266) 3.045 26.019 ( -1.755 2.474 0.266) 3.045 26.428 ( -1.543 -1.170 -1.264) 2.312 26.428 ( -1.543 1.170 -1.264) 2.312 27.252 ( -0.350 -1.855 0.833) 2.064 27.252 ( -0.350 1.855 0.833) 2.064 27.757 ( 2.964 -2.200 -1.587) 4.018 27.757 ( 2.964 2.200 -1.587) 4.018 28.193 ( 0.926 -0.568 -1.335) 1.721 28.193 ( 0.926 0.568 -1.335) 1.721 28.684 ( -1.931 -8.128 1.752) 8.536 28.684 ( -1.931 8.128 1.752) 8.536 38.838 ( 1.612 -0.592 0.484) 1.784 38.838 ( 1.612 0.592 0.484) 1.784 39.415 ( 1.325 -3.674 0.017) 3.906 39.415 ( 1.325 3.674 0.017) 3.906 73.409 ( -0.972 -5.334 1.948) 5.761 73.409 ( -0.972 5.334 1.948) 5.761 76.819 ( -9.602 -10.291 -4.489) 14.774 76.819 ( -9.602 10.291 -4.489) 14.774 ======================= Grid point 115 (59/128) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 9.794 -6.103 -5.401) 12.741 1.604 ( 9.794 6.103 -5.401) 12.741 1.862 ( 7.673 -6.826 -2.224) 10.507 1.862 ( 7.673 6.826 -2.224) 10.507 2.023 ( 3.240 -7.286 9.431) 12.350 2.023 ( 3.240 7.286 9.431) 12.350 2.067 ( 1.364 -2.949 -3.541) 4.806 2.067 ( 1.364 2.949 -3.541) 4.806 2.479 ( -7.296 -3.496 1.104) 8.165 2.479 ( -7.296 3.496 1.104) 8.165 3.004 ( -1.297 -2.849 0.444) 3.161 3.004 ( -1.297 2.849 0.444) 3.161 3.261 ( 3.275 -6.505 -1.063) 7.360 3.261 ( 3.275 6.505 -1.063) 7.360 3.384 ( -3.214 -5.264 -1.393) 6.323 3.384 ( -3.214 5.264 -1.393) 6.323 3.766 ( -0.637 -11.102 1.914) 11.284 3.766 ( -0.637 11.102 1.914) 11.284 4.129 ( 0.665 -1.118 0.487) 1.389 4.129 ( 0.665 1.118 0.487) 1.389 4.381 ( -2.511 -4.446 1.107) 5.225 4.381 ( -2.511 4.446 1.107) 5.225 4.743 ( -5.644 -0.478 2.591) 6.228 4.743 ( -5.644 0.478 2.591) 6.228 4.985 ( -2.272 -6.668 -3.637) 7.928 4.985 ( -2.272 6.668 -3.637) 7.928 5.282 ( 4.303 -5.475 -2.400) 7.365 5.282 ( 4.303 5.475 -2.400) 7.365 5.517 ( -0.029 -2.515 -0.293) 2.532 5.517 ( -0.029 2.515 -0.293) 2.532 5.696 ( -0.333 -5.466 0.480) 5.497 5.696 ( -0.333 5.466 0.480) 5.497 6.022 ( -1.788 -3.053 1.468) 3.830 6.022 ( -1.788 3.053 1.468) 3.830 7.186 ( -0.323 -3.150 -0.727) 3.249 7.186 ( -0.323 3.150 -0.727) 3.249 8.940 ( -1.895 -1.189 -0.310) 2.258 8.940 ( -1.895 1.189 -0.310) 2.258 9.195 ( -0.225 -1.431 0.388) 1.500 9.195 ( -0.225 1.431 0.388) 1.500 9.438 ( 0.870 -0.887 -0.990) 1.589 9.438 ( 0.870 0.887 -0.990) 1.589 9.875 ( -0.537 -3.791 0.381) 3.848 9.875 ( -0.537 3.791 0.381) 3.848 10.410 ( 0.287 -0.112 0.421) 0.522 10.410 ( 0.287 0.112 0.421) 0.522 10.908 ( 0.400 -0.629 -0.447) 0.869 10.908 ( 0.400 0.629 -0.447) 0.869 11.279 ( -1.790 -6.004 -1.001) 6.345 11.279 ( -1.790 6.004 -1.001) 6.345 11.625 ( -0.843 -0.927 2.001) 2.361 11.625 ( -0.843 0.927 2.001) 2.361 13.115 ( -0.350 -2.266 0.943) 2.479 13.115 ( -0.350 2.266 0.943) 2.479 13.209 ( 1.128 -1.140 -1.113) 1.952 13.209 ( 1.128 1.140 -1.113) 1.952 20.095 ( -0.488 -3.442 0.398) 3.499 20.095 ( -0.488 3.442 0.398) 3.499 20.661 ( 0.283 -1.955 -0.954) 2.194 20.661 ( 0.283 1.955 -0.954) 2.194 23.814 ( 0.007 -1.001 0.783) 1.271 23.814 ( 0.007 1.001 0.783) 1.271 24.886 ( -1.801 -8.392 1.036) 8.645 24.886 ( -1.801 8.392 1.036) 8.645 25.998 ( -0.730 -2.162 0.386) 2.314 25.998 ( -0.730 2.162 0.386) 2.314 26.396 ( -0.722 -1.232 -1.308) 1.937 26.396 ( -0.722 1.232 -1.308) 1.937 27.253 ( -0.170 -0.810 0.600) 1.022 27.253 ( -0.170 0.810 0.600) 1.022 27.801 ( 2.123 -2.629 0.077) 3.380 27.801 ( 2.123 2.629 0.077) 3.380 28.204 ( 0.942 -0.717 -0.306) 1.223 28.204 ( 0.942 0.717 -0.306) 1.223 28.652 ( -1.740 -8.317 -0.686) 8.525 28.652 ( -1.740 8.317 -0.686) 8.525 38.865 ( 0.841 -0.484 0.574) 1.127 38.865 ( 0.841 0.484 0.574) 1.127 39.434 ( 0.663 -3.507 -0.090) 3.571 39.434 ( 0.663 3.507 -0.090) 3.571 73.402 ( -0.958 -4.199 1.457) 4.547 73.402 ( -0.958 4.199 1.457) 4.547 76.664 ( -4.463 -8.770 -1.386) 9.938 76.664 ( -4.463 8.770 -1.386) 9.938 ======================= Grid point 117 (60/128) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.690 -5.181 -7.722) 9.325 1.641 ( -0.690 5.181 -7.722) 9.325 1.979 ( 2.496 -6.186 0.985) 6.743 1.979 ( 2.496 6.186 0.985) 6.743 2.038 ( -1.321 -3.468 1.202) 3.901 2.038 ( -1.321 3.468 1.202) 3.901 2.119 ( -2.945 -7.701 3.051) 8.791 2.119 ( -2.945 7.701 3.051) 8.791 2.360 ( -0.248 -3.467 -0.889) 3.588 2.360 ( -0.248 3.467 -0.889) 3.588 2.993 ( -0.103 -2.217 0.605) 2.301 2.993 ( -0.103 2.217 0.605) 2.301 3.309 ( -1.305 -2.072 -1.282) 2.764 3.309 ( -1.305 2.072 -1.282) 2.764 3.372 ( 5.444 -5.296 1.544) 7.750 3.372 ( 5.444 5.296 1.544) 7.750 3.738 ( -2.855 -11.283 -0.911) 11.675 3.738 ( -2.855 11.283 -0.911) 11.675 4.170 ( 2.530 -6.192 0.707) 6.727 4.170 ( 2.530 6.192 0.707) 6.727 4.343 ( -2.225 -0.628 2.880) 3.694 4.343 ( -2.225 0.628 2.880) 3.694 4.646 ( -4.406 -1.631 0.054) 4.699 4.646 ( -4.406 1.631 0.054) 4.699 4.984 ( 4.030 -6.544 -1.754) 7.883 4.984 ( 4.030 6.544 -1.754) 7.883 5.361 ( 3.826 -5.252 -0.428) 6.512 5.361 ( 3.826 5.252 -0.428) 6.512 5.507 ( -0.421 -1.034 -0.217) 1.137 5.507 ( -0.421 1.034 -0.217) 1.137 5.682 ( -1.130 -5.671 -0.613) 5.815 5.682 ( -1.130 5.671 -0.613) 5.815 5.998 ( -1.480 -3.985 1.239) 4.428 5.998 ( -1.480 3.985 1.239) 4.428 7.180 ( 0.295 -1.023 -0.860) 1.368 7.180 ( 0.295 1.023 -0.860) 1.368 8.920 ( 0.050 -0.694 -0.326) 0.769 8.920 ( 0.050 0.694 -0.326) 0.769 9.197 ( 0.044 -1.554 0.560) 1.653 9.197 ( 0.044 1.554 0.560) 1.653 9.441 ( 0.255 -1.106 -1.089) 1.573 9.441 ( 0.255 1.106 -1.089) 1.573 9.871 ( -0.051 -3.737 0.204) 3.743 9.871 ( -0.051 3.737 0.204) 3.743 10.409 ( -0.512 -0.795 -0.102) 0.951 10.409 ( -0.512 0.795 -0.102) 0.951 10.918 ( 0.712 -0.213 0.324) 0.810 10.918 ( 0.712 0.213 0.324) 0.810 11.250 ( -0.319 -4.506 -1.554) 4.777 11.250 ( -0.319 4.506 -1.554) 4.777 11.630 ( -0.286 -1.068 2.440) 2.679 11.630 ( -0.286 1.068 2.440) 2.679 13.106 ( -1.174 -3.231 0.591) 3.488 13.106 ( -1.174 3.231 0.591) 3.488 13.223 ( 1.121 -1.122 -0.989) 1.869 13.223 ( 1.121 1.122 -0.989) 1.869 20.092 ( -0.108 -3.150 0.415) 3.179 20.092 ( -0.108 3.150 0.415) 3.179 20.662 ( 0.455 -1.800 -0.729) 1.995 20.662 ( 0.455 1.800 -0.729) 1.995 23.818 ( -0.192 -1.023 0.910) 1.382 23.818 ( -0.192 1.023 0.910) 1.382 24.868 ( -0.604 -7.952 0.552) 7.994 24.868 ( -0.604 7.952 0.552) 7.994 25.994 ( -0.075 -1.562 0.597) 1.674 25.994 ( -0.075 1.562 0.597) 1.674 26.384 ( 0.513 -1.556 -1.365) 2.133 26.384 ( 0.513 1.556 -1.365) 2.133 27.252 ( -0.337 -0.202 0.428) 0.581 27.252 ( -0.337 0.202 0.428) 0.581 27.832 ( 0.624 -2.295 1.010) 2.584 27.832 ( 0.624 2.295 1.010) 2.584 28.226 ( 1.040 -1.115 1.116) 1.890 28.226 ( 1.040 1.116 1.116) 1.890 28.609 ( -1.399 -7.884 -2.908) 8.519 28.609 ( -1.399 7.884 -2.908) 8.519 38.878 ( 0.035 -0.400 0.738) 0.840 38.878 ( 0.035 0.400 0.738) 0.840 39.438 ( -0.101 -3.109 -0.235) 3.119 39.438 ( -0.101 3.109 -0.235) 3.119 73.395 ( -0.821 -2.672 1.089) 3.000 73.395 ( -0.821 2.672 1.089) 3.000 76.633 ( 1.819 -8.589 0.215) 8.783 76.633 ( 1.819 8.589 0.215) 8.783 ======================= Grid point 119 (61/128) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -11.381 -6.136 -8.163) 15.291 1.463 ( -11.381 6.136 -8.163) 15.291 1.853 ( -8.832 -2.669 -3.251) 9.783 1.853 ( -8.832 2.669 -3.251) 9.783 1.997 ( -4.134 -3.257 6.337) 8.238 1.997 ( -4.134 3.257 6.337) 8.238 2.200 ( 5.605 -3.243 1.374) 6.620 2.200 ( 5.605 3.243 1.374) 6.620 2.396 ( 2.083 -3.423 -1.102) 4.155 2.396 ( 2.083 3.423 -1.102) 4.155 3.008 ( 0.969 -3.955 0.642) 4.122 3.008 ( 0.969 3.955 0.642) 4.122 3.295 ( 1.033 -2.747 -1.360) 3.234 3.295 ( 1.033 2.747 -1.360) 3.234 3.458 ( 0.128 -8.737 3.061) 9.258 3.458 ( 0.128 8.737 3.061) 9.258 3.679 ( -1.022 -9.259 -1.641) 9.459 3.679 ( -1.022 9.259 -1.641) 9.459 4.181 ( -2.620 -5.905 3.008) 7.126 4.181 ( -2.620 5.905 3.008) 7.126 4.387 ( 4.717 -0.803 1.467) 5.004 4.387 ( 4.717 0.803 1.467) 5.004 4.602 ( 1.643 -1.382 -3.991) 4.532 4.602 ( 1.643 1.382 -3.991) 4.532 5.092 ( 6.841 -4.530 0.499) 8.220 5.092 ( 6.841 4.530 0.499) 8.220 5.384 ( -2.351 -5.483 2.145) 6.340 5.384 ( -2.351 5.483 2.145) 6.340 5.511 ( 1.162 -6.198 -0.787) 6.354 5.511 ( 1.162 6.198 -0.787) 6.354 5.655 ( -0.210 -5.831 -1.653) 6.065 5.655 ( -0.210 5.831 -1.653) 6.065 5.992 ( 0.201 -2.509 0.769) 2.632 5.992 ( 0.201 2.509 0.769) 2.632 7.184 ( 0.694 -2.326 -0.790) 2.553 7.184 ( 0.694 2.326 -0.790) 2.553 8.937 ( 2.004 -0.740 -0.387) 2.170 8.937 ( 2.004 0.740 -0.387) 2.170 9.203 ( 0.128 -1.707 0.626) 1.823 9.203 ( 0.128 1.707 0.626) 1.823 9.433 ( -0.193 -1.106 -1.124) 1.589 9.433 ( -0.193 1.106 -1.124) 1.589 9.878 ( 0.521 -3.606 0.445) 3.670 9.878 ( 0.521 3.606 0.445) 3.670 10.392 ( -1.077 -1.074 -0.124) 1.526 10.392 ( -1.077 1.074 -0.124) 1.526 10.933 ( 0.231 -0.583 0.263) 0.680 10.933 ( 0.231 0.583 0.263) 0.680 11.249 ( 1.590 -2.852 -1.774) 3.715 11.249 ( 1.590 2.852 -1.774) 3.715 11.649 ( 0.273 -2.291 2.577) 3.459 11.649 ( 0.273 2.291 2.577) 3.459 13.081 ( -1.476 -3.205 -0.267) 3.539 13.081 ( -1.476 3.205 -0.267) 3.539 13.237 ( 0.782 -1.142 -0.084) 1.386 13.237 ( 0.782 1.142 -0.084) 1.386 20.097 ( 0.272 -2.588 0.465) 2.644 20.097 ( 0.272 2.588 0.465) 2.644 20.668 ( 0.811 -1.726 -0.732) 2.043 20.668 ( 0.811 1.726 -0.732) 2.043 23.820 ( -0.388 -1.148 0.989) 1.564 23.820 ( -0.388 1.148 0.989) 1.564 24.872 ( 0.636 -7.467 0.604) 7.519 24.872 ( 0.636 7.467 0.604) 7.519 26.002 ( 0.372 -0.970 0.541) 1.171 26.002 ( 0.372 0.970 0.541) 1.171 26.397 ( 1.848 -2.312 -1.311) 3.237 26.397 ( 1.848 2.312 -1.311) 3.237 27.247 ( -0.441 -0.696 0.421) 0.925 27.247 ( -0.441 0.696 0.421) 0.925 27.839 ( -0.732 -0.894 1.171) 1.645 27.839 ( -0.732 0.894 1.171) 1.645 28.257 ( 0.789 -1.843 2.401) 3.128 28.257 ( 0.789 1.843 2.401) 3.128 28.558 ( -1.011 -6.611 -4.609) 8.122 28.558 ( -1.011 6.611 -4.609) 8.122 38.877 ( -0.785 -0.682 0.977) 1.427 38.877 ( -0.785 0.682 0.977) 1.427 39.427 ( -0.800 -2.691 -0.314) 2.825 39.427 ( -0.800 2.691 -0.314) 2.825 73.388 ( -0.621 -2.273 0.997) 2.558 73.388 ( -0.621 2.273 0.997) 2.558 76.740 ( 8.952 -10.830 1.040) 14.089 76.740 ( 8.952 10.830 1.040) 14.089 ======================= Grid point 121 (62/128) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -8.922 -10.591 -5.735) 14.989 1.188 ( -8.922 10.591 -5.735) 14.989 1.692 ( -5.379 -6.533 -5.324) 9.998 1.692 ( -5.379 6.533 -5.324) 9.998 1.952 ( -5.348 -3.250 5.498) 8.331 1.952 ( -5.348 3.250 5.498) 8.331 2.253 ( -1.369 -2.992 -0.046) 3.290 2.253 ( -1.369 2.992 -0.047) 3.290 2.436 ( 3.190 -3.404 0.900) 4.751 2.436 ( 3.190 3.404 0.900) 4.751 3.023 ( -0.239 -4.182 0.090) 4.190 3.023 ( -0.239 4.182 0.090) 4.190 3.273 ( -3.052 -4.339 -0.855) 5.373 3.273 ( -3.052 4.339 -0.855) 5.373 3.494 ( 3.520 -10.573 2.707) 11.468 3.494 ( 3.520 10.573 2.707) 11.468 3.660 ( -1.231 -3.914 -0.299) 4.113 3.660 ( -1.231 3.914 -0.299) 4.113 4.157 ( -1.829 -0.238 2.717) 3.284 4.157 ( -1.829 0.238 2.717) 3.284 4.473 ( 2.181 -2.410 2.005) 3.819 4.473 ( 2.181 2.410 2.005) 3.819 4.666 ( 8.814 -3.169 -6.369) 11.327 4.666 ( 8.814 3.169 -6.369) 11.327 5.181 ( 1.058 -1.367 -1.767) 2.472 5.181 ( 1.058 1.367 -1.767) 2.472 5.323 ( -5.300 -3.824 3.003) 7.192 5.323 ( -5.300 3.824 3.003) 7.192 5.549 ( 2.996 -6.740 1.337) 7.496 5.549 ( 2.996 6.740 1.337) 7.496 5.674 ( 4.062 -4.781 -1.718) 6.504 5.674 ( 4.062 4.781 -1.718) 6.504 6.019 ( 2.118 -0.815 0.393) 2.304 6.019 ( 2.118 0.815 0.393) 2.304 7.195 ( 1.087 -4.261 -0.678) 4.449 7.195 ( 1.087 4.261 -0.678) 4.449 8.988 ( 3.542 -1.110 -0.392) 3.733 8.988 ( 3.542 1.110 -0.392) 3.733 9.208 ( -0.210 -1.906 0.598) 2.008 9.208 ( -0.210 1.906 0.598) 2.008 9.419 ( -0.282 -0.817 -1.151) 1.439 9.419 ( -0.282 0.817 -1.151) 1.439 9.898 ( 0.981 -3.532 1.019) 3.804 9.898 ( 0.981 3.532 1.019) 3.804 10.370 ( -1.292 -0.933 0.259) 1.614 10.370 ( -1.292 0.933 0.259) 1.614 10.922 ( -1.243 -1.146 -0.507) 1.765 10.922 ( -1.243 1.146 -0.507) 1.765 11.286 ( 3.571 -1.733 -1.632) 4.292 11.286 ( 3.571 1.733 -1.632) 4.292 11.673 ( 0.137 -3.654 2.410) 4.380 11.673 ( 0.137 3.654 2.410) 4.380 13.049 ( -1.358 -2.745 -0.938) 3.203 13.049 ( -1.358 2.745 -0.938) 3.203 13.253 ( 0.623 -1.596 0.949) 1.958 13.253 ( 0.623 1.596 0.949) 1.958 20.108 ( 0.504 -2.041 0.537) 2.170 20.108 ( 0.504 2.041 0.537) 2.170 20.683 ( 1.347 -1.715 -1.005) 2.401 20.683 ( 1.347 1.715 -1.005) 2.401 23.819 ( -0.427 -1.392 0.987) 1.759 23.819 ( -0.427 1.392 0.987) 1.759 24.897 ( 1.097 -6.850 1.260) 7.051 24.897 ( 1.097 6.850 1.260) 7.051 26.014 ( 0.563 -0.279 0.105) 0.637 26.014 ( 0.563 0.279 0.105) 0.637 26.437 ( 3.354 -3.190 -0.975) 4.730 26.437 ( 3.354 3.190 -0.975) 4.730 27.243 ( -0.246 -1.442 0.563) 1.568 27.243 ( -0.246 1.442 0.563) 1.568 27.823 ( -1.560 -1.061 0.486) 1.948 27.823 ( -1.560 1.061 0.486) 1.948 28.284 ( 0.003 -2.219 2.112) 3.063 28.284 ( 0.003 2.219 2.112) 3.063 28.510 ( -0.333 -3.515 -4.303) 5.566 28.510 ( -0.333 3.515 -4.303) 5.566 38.862 ( -1.718 -1.284 1.274) 2.494 38.862 ( -1.718 1.284 1.274) 2.494 39.405 ( -1.291 -2.429 -0.323) 2.770 39.405 ( -1.291 2.429 -0.323) 2.770 73.386 ( -0.412 -2.954 1.210) 3.219 73.386 ( -0.412 2.954 1.210) 3.219 76.986 ( 15.988 -14.707 0.758) 21.737 76.986 ( 15.988 14.707 0.758) 21.737 ======================= Grid point 123 (63/128) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 4.550 -17.115 -4.572) 18.290 1.114 ( 4.550 17.115 -4.572) 18.290 1.566 ( -3.670 -13.182 -4.621) 14.442 1.566 ( -3.670 13.182 -4.621) 14.442 1.876 ( -5.226 -3.459 2.549) 6.765 1.876 ( -5.226 3.459 2.549) 6.765 2.173 ( -5.441 -3.997 -1.003) 6.826 2.173 ( -5.441 3.997 -1.003) 6.826 2.517 ( 2.816 -1.603 3.109) 4.490 2.517 ( 2.816 1.603 3.109) 4.490 2.982 ( -4.665 -5.430 1.747) 7.369 2.982 ( -4.665 5.430 1.747) 7.369 3.223 ( -0.238 -3.693 -1.686) 4.067 3.223 ( -0.238 3.693 -1.686) 4.067 3.563 ( -0.588 -5.243 0.368) 5.289 3.563 ( -0.588 5.243 0.368) 5.289 3.663 ( 3.277 -3.073 1.854) 4.860 3.663 ( 3.277 3.073 1.854) 4.860 4.145 ( -0.949 -3.031 0.775) 3.269 4.145 ( -0.949 3.031 0.775) 3.269 4.513 ( 0.801 -3.372 2.185) 4.097 4.513 ( 0.801 3.372 2.185) 4.097 4.795 ( 7.045 -4.146 -3.377) 8.844 4.795 ( 7.045 4.146 -3.377) 8.844 5.130 ( -2.479 -5.467 -2.712) 6.587 5.130 ( -2.479 5.467 -2.712) 6.587 5.241 ( -4.363 -2.974 0.853) 5.348 5.241 ( -4.363 2.974 0.853) 5.348 5.593 ( 0.252 -3.120 0.963) 3.275 5.593 ( 0.252 3.120 0.963) 3.275 5.801 ( 8.943 -7.071 -1.029) 11.447 5.801 ( 8.943 7.071 -1.029) 11.447 6.072 ( 2.740 -2.332 0.439) 3.625 6.072 ( 2.740 2.332 0.439) 3.625 7.217 ( 1.741 -4.821 -0.676) 5.170 7.217 ( 1.741 4.821 -0.676) 5.170 9.060 ( 4.090 -1.221 -0.247) 4.276 9.060 ( 4.090 1.221 -0.247) 4.276 9.202 ( -0.948 -1.846 0.790) 2.220 9.202 ( -0.948 1.846 0.790) 2.220 9.408 ( 0.059 -0.339 -1.369) 1.411 9.408 ( 0.059 0.339 -1.369) 1.411 9.926 ( 0.911 -3.636 1.542) 4.053 9.926 ( 0.911 3.636 1.542) 4.053 10.349 ( -1.282 -0.819 0.784) 1.712 10.349 ( -1.282 0.819 0.784) 1.712 10.884 ( -1.962 -1.941 -1.030) 2.946 10.884 ( -1.962 1.941 -1.030) 2.946 11.352 ( 4.286 -0.749 -1.615) 4.641 11.352 ( 4.286 0.749 -1.615) 4.641 11.685 ( -0.659 -4.154 1.978) 4.648 11.685 ( -0.659 4.154 1.978) 4.648 13.020 ( -0.842 -2.309 -0.941) 2.632 13.020 ( -0.842 2.309 -0.941) 2.632 13.274 ( 0.550 -1.759 1.275) 2.241 13.274 ( 0.550 1.759 1.275) 2.241 20.122 ( 0.471 -1.730 0.601) 1.891 20.122 ( 0.471 1.730 0.601) 1.891 20.703 ( 1.801 -2.042 -1.785) 3.256 20.703 ( 1.801 2.042 -1.785) 3.256 23.818 ( -0.340 -1.676 0.845) 1.908 23.818 ( -0.340 1.676 0.845) 1.908 24.927 ( 0.568 -6.144 2.206) 6.553 24.927 ( 0.568 6.144 2.206) 6.553 26.022 ( 0.379 -1.860 -0.225) 1.911 26.022 ( 0.379 1.860 -0.225) 1.911 26.510 ( 4.747 -3.372 -0.520) 5.846 26.510 ( 4.747 3.372 -0.520) 5.846 27.247 ( 0.182 -2.407 0.749) 2.528 27.247 ( 0.182 2.407 0.749) 2.528 27.788 ( -1.802 -2.389 -1.299) 3.262 27.788 ( -1.802 2.389 -1.299) 3.262 28.278 ( -0.860 -2.028 -1.569) 2.704 28.278 ( -0.860 2.028 -1.569) 2.704 28.496 ( 0.557 -1.882 0.486) 2.022 28.496 ( 0.557 1.882 0.486) 2.022 38.830 ( -2.659 -1.689 1.523) 3.499 38.830 ( -2.659 1.689 1.523) 3.499 39.376 ( -1.334 -2.373 -0.346) 2.744 39.376 ( -1.334 2.373 -0.346) 2.744 73.390 ( -0.252 -3.419 1.600) 3.784 73.390 ( -0.252 3.419 1.600) 3.784 77.331 ( 19.694 -18.131 -2.385) 26.875 77.331 ( 19.694 18.131 -2.385) 26.875 ======================= Grid point 125 (64/128) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 6.456 -17.923 -11.374) 22.187 1.189 ( 6.456 17.923 -11.374) 22.187 1.506 ( -0.665 -17.704 -2.472) 17.888 1.506 ( -0.665 17.704 -2.472) 17.888 1.829 ( -1.331 -6.531 6.576) 9.363 1.829 ( -1.331 6.531 6.576) 9.363 2.069 ( -3.447 -4.239 -2.549) 6.029 2.069 ( -3.447 4.239 -2.549) 6.029 2.542 ( -2.895 -4.744 1.804) 5.843 2.542 ( -2.895 4.744 1.804) 5.843 2.917 ( -3.686 -4.321 5.552) 7.943 2.917 ( -3.686 4.321 5.552) 7.943 3.230 ( 1.894 -1.179 -2.388) 3.268 3.230 ( 1.894 1.179 -2.388) 3.268 3.528 ( -1.151 -5.427 -0.803) 5.605 3.528 ( -1.151 5.427 -0.803) 5.605 3.751 ( 2.746 -4.789 2.188) 5.939 3.751 ( 2.746 4.789 2.188) 5.939 4.136 ( 1.081 -4.308 -2.028) 4.883 4.136 ( 1.081 4.308 -2.028) 4.883 4.532 ( -0.969 -5.533 1.975) 5.954 4.532 ( -0.969 5.533 1.975) 5.954 4.832 ( -3.905 -3.366 4.179) 6.637 4.832 ( -3.905 3.366 4.179) 6.637 5.099 ( 1.705 -4.971 -3.118) 6.111 5.099 ( 1.705 4.971 -3.118) 6.111 5.210 ( 2.243 -2.331 -1.448) 3.544 5.210 ( 2.243 2.331 -1.448) 3.544 5.592 ( -0.285 -2.697 0.057) 2.713 5.592 ( -0.285 2.697 0.057) 2.713 5.938 ( 6.199 -3.495 -2.443) 7.524 5.938 ( 6.199 3.495 -2.443) 7.524 6.105 ( -0.047 -1.527 -0.268) 1.551 6.105 ( -0.047 1.527 -0.268) 1.551 7.251 ( 2.202 -3.177 -0.749) 3.938 7.251 ( 2.202 3.177 -0.749) 3.938 9.128 ( 2.812 -0.940 -0.083) 2.966 9.128 ( 2.812 0.940 -0.083) 2.966 9.188 ( -1.147 -1.314 1.345) 2.202 9.188 ( -1.147 1.314 1.345) 2.202 9.402 ( 0.485 -0.146 -1.699) 1.772 9.402 ( 0.485 0.146 -1.699) 1.772 9.949 ( 0.080 -3.838 1.749) 4.219 9.949 ( 0.080 3.838 1.749) 4.219 10.335 ( -0.920 -0.939 1.293) 1.844 10.335 ( -0.920 0.939 1.293) 1.844 10.843 ( -1.241 -2.480 -1.092) 2.980 10.843 ( -1.241 2.480 -1.092) 2.980 11.418 ( 3.730 -0.404 -1.589) 4.075 11.418 ( 3.730 0.404 -1.589) 4.075 11.675 ( -1.618 -3.583 1.246) 4.124 11.675 ( -1.618 3.583 1.246) 4.124 13.009 ( 0.136 -2.333 -0.025) 2.337 13.009 ( 0.136 2.333 -0.025) 2.337 13.284 ( -0.310 -1.703 0.113) 1.735 13.284 ( -0.310 1.703 0.113) 1.735 20.133 ( 0.160 -1.743 0.649) 1.866 20.133 ( 0.160 1.743 0.649) 1.866 20.719 ( 1.575 -2.576 -3.161) 4.371 20.719 ( 1.575 2.576 -3.161) 4.371 23.817 ( -0.324 -1.799 0.542) 1.906 23.817 ( -0.324 1.799 0.542) 1.906 24.946 ( -0.504 -5.749 2.717) 6.379 24.946 ( -0.504 5.749 2.717) 6.379 26.030 ( 0.537 -3.163 0.698) 3.284 26.030 ( 0.537 3.163 0.698) 3.284 26.590 ( 3.470 -1.945 -1.324) 4.192 26.590 ( 3.470 1.945 -1.324) 4.192 27.262 ( 0.503 -3.595 1.291) 3.852 27.262 ( 0.503 3.595 1.291) 3.852 27.740 ( -1.080 -2.176 -3.821) 4.528 27.740 ( -1.080 2.176 -3.821) 4.528 28.238 ( -0.761 -1.568 -3.997) 4.361 28.238 ( -0.761 1.568 -3.997) 4.361 28.536 ( 1.092 -3.243 5.453) 6.437 28.536 ( 1.092 3.243 5.453) 6.437 38.787 ( -2.803 -1.345 1.536) 3.467 38.787 ( -2.803 1.345 1.536) 3.467 39.353 ( -0.726 -2.461 -0.396) 2.596 39.353 ( -0.726 2.461 -0.396) 2.596 73.399 ( -0.292 -3.717 1.965) 4.215 73.399 ( -0.292 3.717 1.965) 4.215 77.629 ( 14.081 -18.372 -9.594) 25.057 77.629 ( 14.081 18.372 -9.594) 25.057 ======================= Grid point 147 (65/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -4.569 0.000 22.396) 22.857 0.935 ( 7.125 0.000 24.090) 25.122 1.389 ( -0.851 0.000 32.663) 32.674 1.586 ( 4.712 0.000 -15.180) 15.895 1.791 ( -3.363 0.000 -17.898) 18.212 1.948 ( 4.229 0.000 -0.038) 4.229 1.972 ( -3.895 0.000 -2.661) 4.717 2.401 ( -6.925 0.000 -13.635) 15.293 2.462 ( 1.139 0.000 -1.899) 2.215 2.463 ( 5.992 0.000 -5.968) 8.457 2.852 ( 4.071 0.000 0.341) 4.086 2.891 ( -6.081 0.000 -0.498) 6.101 3.099 ( 9.213 0.000 2.384) 9.517 3.168 ( -3.472 0.000 0.135) 3.475 3.288 ( -3.942 0.000 6.376) 7.496 3.491 ( 2.369 0.000 -4.052) 4.694 3.710 ( -6.369 0.000 -1.286) 6.498 3.802 ( 5.042 0.000 -5.471) 7.440 4.082 ( 5.052 0.000 7.995) 9.458 4.273 ( -9.278 0.000 -1.538) 9.405 4.567 ( -8.030 0.000 6.883) 10.576 4.757 ( 3.960 0.000 2.833) 4.869 4.772 ( -7.954 0.000 4.391) 9.085 4.887 ( 5.987 0.000 -8.376) 10.295 4.938 ( 4.899 0.000 4.258) 6.491 5.070 ( -1.223 0.000 -1.549) 1.974 5.181 ( -3.799 0.000 -1.029) 3.936 5.284 ( 9.444 0.000 -2.717) 9.827 5.496 ( -2.278 0.000 -3.114) 3.858 5.546 ( 1.515 0.000 -3.327) 3.656 5.985 ( -2.559 0.000 5.271) 5.859 6.076 ( -5.810 0.000 0.704) 5.853 6.112 ( 7.593 0.000 1.349) 7.712 6.210 ( 7.098 0.000 -3.420) 7.879 7.437 ( 2.221 0.000 2.631) 3.443 7.541 ( -2.004 0.000 -2.183) 2.963 9.091 ( 1.091 0.000 1.627) 1.959 9.146 ( -0.720 0.000 -1.136) 1.345 9.249 ( 1.491 0.000 1.575) 2.169 9.312 ( 0.944 0.000 2.633) 2.797 9.327 ( -0.475 0.000 -2.570) 2.613 9.418 ( -1.800 0.000 -2.274) 2.901 9.972 ( 2.113 0.000 -0.725) 2.234 9.981 ( -0.360 0.000 -1.633) 1.673 10.290 ( 0.567 0.000 3.833) 3.874 10.382 ( -0.711 0.000 -1.077) 1.290 10.902 ( -9.156 0.000 0.631) 9.178 10.936 ( 1.791 0.000 -1.034) 2.068 11.242 ( -11.375 0.000 0.300) 11.379 11.249 ( 4.970 0.000 -0.310) 4.980 11.369 ( -0.132 0.000 3.307) 3.310 11.519 ( 2.209 0.000 -3.546) 4.178 13.060 ( -2.040 0.000 1.515) 2.540 13.107 ( 0.674 0.000 -0.376) 0.772 13.154 ( 6.255 0.000 0.276) 6.261 13.179 ( -1.167 0.000 -0.657) 1.339 20.108 ( -2.539 0.000 1.721) 3.067 20.184 ( 3.909 0.000 -1.883) 4.339 20.390 ( -1.592 0.000 1.114) 1.944 20.444 ( -1.738 0.000 -1.420) 2.244 23.814 ( -0.867 0.000 1.743) 1.947 23.895 ( 0.791 0.000 -2.118) 2.261 25.111 ( -17.665 0.000 0.432) 17.670 25.123 ( 4.488 0.000 -0.095) 4.489 26.107 ( 2.946 0.000 0.335) 2.965 26.133 ( -4.494 0.000 -1.131) 4.634 26.382 ( 2.426 0.000 4.378) 5.005 26.548 ( -2.481 0.000 -3.808) 4.545 27.135 ( 3.741 0.000 2.373) 4.430 27.245 ( -1.803 0.000 -2.971) 3.475 27.472 ( -1.217 0.000 4.537) 4.697 27.638 ( 1.177 0.000 -2.751) 2.992 28.156 ( 0.279 0.000 -0.506) 0.578 28.194 ( 0.650 0.000 -3.586) 3.645 28.871 ( -6.483 0.000 7.133) 9.639 29.092 ( 18.292 0.000 -4.155) 18.758 38.771 ( 1.639 0.000 1.342) 2.118 38.831 ( -9.575 0.000 -1.583) 9.705 39.287 ( -4.033 0.000 3.096) 5.084 39.406 ( 2.881 0.000 -2.602) 3.882 73.280 ( -5.372 0.000 3.089) 6.196 73.446 ( 7.380 0.000 -5.125) 8.985 75.963 ( -4.827 0.000 19.111) 19.711 76.746 ( -7.984 0.000 -18.468) 20.120 ======================= Grid point 148 (66/128) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.296 0.000 20.622) 20.624 1.276 ( 9.452 0.000 20.741) 22.793 1.569 ( -0.940 0.000 -20.090) 20.112 1.576 ( 5.604 0.000 -19.879) 20.653 1.752 ( 11.648 0.000 25.726) 28.240 1.879 ( -3.134 0.000 -2.935) 4.294 2.073 ( 6.618 0.000 2.311) 7.010 2.214 ( -0.906 0.000 -9.886) 9.927 2.459 ( -0.908 0.000 -2.262) 2.437 2.535 ( 5.986 0.000 -7.792) 9.826 2.757 ( -6.789 0.000 0.294) 6.795 2.917 ( 0.878 0.000 2.703) 2.842 3.074 ( -3.829 0.000 -5.092) 6.371 3.265 ( 6.038 0.000 0.797) 6.091 3.301 ( 1.881 0.000 5.570) 5.879 3.527 ( 2.767 0.000 -3.424) 4.402 3.630 ( -2.523 0.000 1.183) 2.786 3.801 ( -2.973 0.000 -5.262) 6.044 4.107 ( -4.260 0.000 3.406) 5.454 4.240 ( 3.945 0.000 6.831) 7.888 4.510 ( -2.494 0.000 4.294) 4.966 4.667 ( -5.263 0.000 2.393) 5.781 4.776 ( -3.559 0.000 2.415) 4.301 5.004 ( 8.402 0.000 -2.098) 8.661 5.038 ( -2.289 0.000 -0.561) 2.357 5.088 ( 0.530 0.000 1.333) 1.435 5.120 ( 5.665 0.000 -0.206) 5.669 5.348 ( -0.532 0.000 -11.610) 11.623 5.454 ( 2.521 0.000 3.456) 4.278 5.582 ( 3.536 0.000 -2.753) 4.481 5.825 ( -11.549 0.000 4.979) 12.576 5.921 ( -8.308 0.000 -3.455) 8.997 6.282 ( 1.700 0.000 -0.759) 1.861 6.296 ( 8.114 0.000 -6.989) 10.708 7.410 ( -9.203 0.000 -2.476) 9.530 7.446 ( -3.203 0.000 2.692) 4.184 9.088 ( -2.610 0.000 1.697) 3.114 9.099 ( -2.734 0.000 -1.628) 3.182 9.256 ( -1.255 0.000 2.442) 2.746 9.286 ( -0.669 0.000 -3.784) 3.843 9.382 ( 2.918 0.000 2.741) 4.003 9.392 ( -0.114 0.000 -1.355) 1.360 9.916 ( -4.712 0.000 -1.064) 4.830 9.994 ( 0.764 0.000 -0.677) 1.021 10.298 ( -3.271 0.000 4.672) 5.704 10.385 ( 2.114 0.000 -1.337) 2.502 10.776 ( -3.144 0.000 4.727) 5.677 10.958 ( 0.879 0.000 -0.176) 0.897 11.139 ( -1.544 0.000 -0.284) 1.569 11.326 ( 1.837 0.000 2.446) 3.059 11.404 ( 0.869 0.000 3.757) 3.856 11.563 ( 4.214 0.000 -3.342) 5.378 13.029 ( -1.597 0.000 0.184) 1.608 13.100 ( -0.733 0.000 0.415) 0.843 13.162 ( 0.153 0.000 -1.366) 1.375 13.236 ( 2.834 0.000 -1.216) 3.084 20.068 ( -2.589 0.000 1.062) 2.799 20.247 ( 4.136 0.000 -2.576) 4.873 20.385 ( -0.347 0.000 2.638) 2.660 20.442 ( 1.820 0.000 -0.374) 1.858 23.808 ( -1.024 0.000 1.716) 1.998 23.888 ( 0.068 0.000 -1.917) 1.918 24.861 ( -11.481 0.000 8.437) 14.248 25.226 ( 4.786 0.000 2.889) 5.591 26.044 ( -3.205 0.000 -0.398) 3.230 26.136 ( -1.372 0.000 0.642) 1.515 26.445 ( 0.605 0.000 5.448) 5.482 26.462 ( -2.771 0.000 -4.829) 5.568 27.223 ( 2.493 0.000 -2.386) 3.451 27.250 ( 5.272 0.000 0.328) 5.282 27.486 ( -0.608 0.000 4.114) 4.159 27.632 ( 0.501 0.000 -3.060) 3.101 28.158 ( 0.310 0.000 -0.345) 0.464 28.179 ( 0.338 0.000 -3.006) 3.025 28.751 ( -9.419 0.000 2.692) 9.796 29.227 ( 2.478 0.000 -7.877) 8.257 38.733 ( -0.990 0.000 1.497) 1.795 38.831 ( 2.592 0.000 2.907) 3.895 39.267 ( -0.958 0.000 2.550) 2.724 39.458 ( 3.946 0.000 -1.395) 4.185 73.212 ( -3.574 0.000 1.551) 3.896 73.548 ( 6.507 0.000 -3.937) 7.605 76.059 ( -1.648 0.000 22.741) 22.801 76.627 ( 5.776 0.000 -16.727) 17.697 ======================= Grid point 149 (67/128) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 5.554 0.000 12.817) 13.968 1.373 ( -4.651 0.000 -14.682) 15.402 1.481 ( 6.685 0.000 -14.879) 16.312 1.614 ( 8.438 0.000 5.741) 10.206 1.870 ( 3.048 0.000 -0.921) 3.184 2.150 ( 12.014 0.000 4.794) 12.935 2.231 ( 7.409 0.000 14.236) 16.048 2.245 ( 7.156 0.000 -2.573) 7.604 2.389 ( -4.433 0.000 -1.280) 4.615 2.561 ( 3.195 0.000 -8.625) 9.198 2.668 ( -3.358 0.000 2.909) 4.443 2.884 ( -4.461 0.000 -1.239) 4.630 3.025 ( 1.742 0.000 -1.118) 2.070 3.297 ( -4.315 0.000 -7.194) 8.389 3.424 ( 6.526 0.000 3.188) 7.263 3.429 ( -5.974 0.000 -2.587) 6.510 3.614 ( -0.320 0.000 1.059) 1.106 3.788 ( 4.971 0.000 4.106) 6.447 4.144 ( -0.752 0.000 8.782) 8.815 4.279 ( -3.847 0.000 1.646) 4.184 4.521 ( 1.433 0.000 0.897) 1.691 4.615 ( -2.147 0.000 -0.434) 2.191 4.723 ( -2.884 0.000 3.279) 4.367 4.907 ( -4.271 0.000 -2.534) 4.966 5.069 ( -7.910 0.000 -0.424) 7.922 5.161 ( 4.327 0.000 4.562) 6.287 5.190 ( 5.143 0.000 1.979) 5.511 5.306 ( 1.029 0.000 -4.944) 5.050 5.528 ( 0.265 0.000 4.377) 4.386 5.587 ( -1.914 0.000 -4.717) 5.090 5.711 ( 2.103 0.000 -4.825) 5.264 5.766 ( -2.713 0.000 -5.018) 5.704 6.269 ( -2.666 0.000 0.833) 2.793 6.321 ( 0.993 0.000 -7.159) 7.228 7.189 ( -11.330 0.000 -2.314) 11.564 7.366 ( -6.371 0.000 1.679) 6.589 9.036 ( -3.361 0.000 1.109) 3.540 9.037 ( -2.228 0.000 -1.456) 2.662 9.250 ( -1.354 0.000 2.653) 2.978 9.259 ( 0.952 0.000 -4.396) 4.498 9.384 ( -0.189 0.000 0.142) 0.237 9.438 ( 0.595 0.000 2.999) 3.057 9.819 ( -4.522 0.000 0.139) 4.524 9.994 ( 0.075 0.000 -1.301) 1.303 10.273 ( -2.534 0.000 5.556) 6.106 10.438 ( 4.197 0.000 -1.258) 4.382 10.813 ( 2.230 0.000 3.190) 3.892 10.968 ( 0.251 0.000 0.113) 0.276 11.128 ( 0.483 0.000 -1.366) 1.448 11.362 ( 0.137 0.000 3.468) 3.471 11.447 ( 0.469 0.000 3.735) 3.765 11.578 ( -1.116 0.000 -3.385) 3.564 13.021 ( 1.642 0.000 -1.643) 2.323 13.090 ( -1.001 0.000 1.340) 1.673 13.161 ( 0.759 0.000 -1.754) 1.911 13.262 ( 1.099 0.000 -1.130) 1.576 20.032 ( -1.858 0.000 1.045) 2.132 20.291 ( 2.739 0.000 -3.933) 4.793 20.416 ( 0.941 0.000 4.114) 4.220 20.487 ( 2.823 0.000 -0.356) 2.845 23.801 ( -0.946 0.000 1.542) 1.809 23.871 ( -0.453 0.000 -1.587) 1.651 24.770 ( -5.873 0.000 9.510) 11.177 25.321 ( 1.954 0.000 3.482) 3.992 26.006 ( -0.669 0.000 -0.636) 0.923 26.047 ( -6.350 0.000 -2.582) 6.855 26.390 ( -0.953 0.000 -4.682) 4.778 26.473 ( -1.687 0.000 4.756) 5.046 27.313 ( 6.203 0.000 1.642) 6.417 27.333 ( 3.455 0.000 0.570) 3.502 27.506 ( -0.147 0.000 2.889) 2.892 27.625 ( 1.337 0.000 -2.392) 2.740 28.165 ( 0.203 0.000 -2.172) 2.182 28.165 ( 0.704 0.000 -0.145) 0.718 28.581 ( -8.084 0.000 -1.321) 8.191 29.153 ( -3.398 0.000 -6.373) 7.222 38.770 ( 3.274 0.000 0.235) 3.282 38.897 ( 1.818 0.000 3.045) 3.547 39.276 ( -0.144 0.000 2.503) 2.508 39.521 ( 2.905 0.000 -0.314) 2.922 73.172 ( -1.208 0.000 0.604) 1.350 73.624 ( 3.539 0.000 -2.404) 4.278 76.198 ( -2.588 0.000 24.184) 24.323 76.632 ( 6.582 0.000 -16.813) 18.056 ======================= Grid point 150 (68/128) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.924 0.000 -10.791) 10.830 1.279 ( 7.717 0.000 2.304) 8.054 1.605 ( 12.877 0.000 -5.991) 14.202 1.763 ( 3.876 0.000 0.999) 4.003 1.922 ( 1.411 0.000 0.981) 1.719 2.196 ( -4.029 0.000 -0.855) 4.118 2.334 ( -0.760 0.000 2.085) 2.219 2.374 ( 5.328 0.000 1.460) 5.525 2.549 ( 11.308 0.000 8.570) 14.189 2.570 ( 4.738 0.000 -7.177) 8.600 2.661 ( -0.986 0.000 5.252) 5.344 2.807 ( -2.143 0.000 -0.279) 2.161 3.039 ( -11.113 0.000 -5.996) 12.628 3.070 ( 2.031 0.000 1.435) 2.487 3.396 ( 0.326 0.000 -1.631) 1.664 3.551 ( 5.276 0.000 -2.259) 5.739 3.630 ( 1.563 0.000 0.238) 1.582 3.957 ( 6.988 0.000 5.399) 8.831 4.128 ( -7.548 0.000 9.345) 12.012 4.142 ( -8.096 0.000 -2.328) 8.425 4.497 ( -7.207 0.000 -3.888) 8.189 4.585 ( 5.462 0.000 -1.775) 5.743 4.711 ( -2.922 0.000 5.384) 6.126 4.911 ( -6.800 0.000 1.864) 7.051 4.937 ( 5.990 0.000 1.935) 6.295 5.191 ( -9.891 0.000 1.963) 10.084 5.264 ( 1.671 0.000 3.901) 4.244 5.300 ( 4.948 0.000 1.535) 5.181 5.467 ( -3.945 0.000 -6.691) 7.767 5.544 ( -1.187 0.000 3.505) 3.700 5.733 ( 1.047 0.000 -4.938) 5.048 5.805 ( 10.599 0.000 -10.360) 14.821 6.213 ( -3.873 0.000 2.109) 4.410 6.264 ( -1.655 0.000 -4.976) 5.244 6.982 ( -8.099 0.000 -1.370) 8.214 7.244 ( -7.016 0.000 0.539) 7.036 8.990 ( -1.794 0.000 0.265) 1.813 8.999 ( -0.987 0.000 -0.878) 1.321 9.243 ( -1.323 0.000 2.385) 2.727 9.255 ( 1.906 0.000 -4.450) 4.841 9.390 ( 0.372 0.000 1.365) 1.415 9.449 ( -1.705 0.000 3.192) 3.619 9.753 ( -2.666 0.000 0.248) 2.677 9.976 ( -0.661 0.000 -2.534) 2.619 10.285 ( -0.757 0.000 5.871) 5.920 10.514 ( 4.303 0.000 -1.085) 4.437 10.877 ( 2.025 0.000 2.753) 3.418 10.973 ( 0.158 0.000 0.529) 0.552 11.127 ( 0.685 0.000 -2.253) 2.354 11.387 ( -0.599 0.000 3.386) 3.438 11.471 ( -0.711 0.000 3.560) 3.630 11.473 ( -5.299 0.000 -5.354) 7.533 13.068 ( 4.306 0.000 -1.900) 4.706 13.079 ( -1.536 0.000 2.100) 2.601 13.161 ( 0.807 0.000 -2.239) 2.380 13.267 ( 0.508 0.000 -1.351) 1.444 20.015 ( -0.873 0.000 1.606) 1.828 20.294 ( 0.851 0.000 -4.247) 4.332 20.470 ( 1.538 0.000 3.549) 3.868 20.536 ( 2.380 0.000 -0.230) 2.391 23.795 ( -0.748 0.000 1.299) 1.499 23.851 ( -0.531 0.000 -1.250) 1.358 24.750 ( -3.870 0.000 9.360) 10.128 25.326 ( -2.717 0.000 -0.474) 2.758 25.925 ( -2.957 0.000 -2.967) 4.189 26.000 ( 0.506 0.000 -1.157) 1.263 26.358 ( 0.642 0.000 -3.648) 3.704 26.450 ( -3.689 0.000 3.491) 5.079 27.396 ( 2.565 0.000 1.182) 2.824 27.417 ( 2.349 0.000 1.769) 2.941 27.520 ( -0.152 0.000 1.863) 1.869 27.667 ( 3.461 0.000 0.584) 3.510 28.158 ( 0.442 0.000 -1.009) 1.102 28.181 ( 0.989 0.000 -0.105) 0.994 28.453 ( -3.663 0.000 -1.544) 3.975 29.034 ( -3.984 0.000 -6.102) 7.287 38.838 ( 3.608 0.000 -0.221) 3.615 38.940 ( 0.807 0.000 1.953) 2.113 39.297 ( 0.249 0.000 2.827) 2.838 39.552 ( 0.713 0.000 -0.682) 0.987 73.179 ( 1.566 0.000 0.489) 1.641 73.635 ( -0.960 0.000 -1.533) 1.809 76.289 ( -5.233 0.000 20.826) 21.474 76.628 ( 4.987 0.000 -13.706) 14.585 ======================= Grid point 151 (69/128) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 8.637 0.000 0.020) 8.637 1.427 ( 7.876 0.000 -2.741) 8.340 1.793 ( 2.169 0.000 -5.711) 6.109 1.819 ( 12.289 0.000 -4.423) 13.061 1.924 ( -2.666 0.000 3.365) 4.293 2.084 ( -6.631 0.000 -0.186) 6.634 2.327 ( -3.378 0.000 5.214) 6.212 2.447 ( 1.401 0.000 1.101) 1.781 2.630 ( 4.126 0.000 -3.216) 5.231 2.682 ( -0.901 0.000 4.608) 4.695 2.707 ( 1.074 0.000 1.002) 1.469 2.829 ( 3.637 0.000 0.955) 3.760 2.896 ( -1.208 0.000 2.656) 2.917 3.099 ( -0.327 0.000 1.997) 2.024 3.389 ( 0.849 0.000 -3.565) 3.664 3.542 ( -2.834 0.000 -8.085) 8.568 3.677 ( 4.182 0.000 -1.728) 4.525 3.960 ( -11.764 0.000 6.379) 13.382 4.044 ( 0.965 0.000 -1.397) 1.698 4.084 ( -1.049 0.000 -2.298) 2.527 4.433 ( 3.140 0.000 4.834) 5.765 4.661 ( -6.291 0.000 6.374) 8.955 4.688 ( 6.705 0.000 -2.332) 7.099 4.847 ( -4.155 0.000 3.467) 5.411 5.025 ( -7.666 0.000 2.433) 8.043 5.063 ( 5.012 0.000 1.118) 5.135 5.281 ( -1.959 0.000 3.225) 3.774 5.342 ( -1.885 0.000 -2.751) 3.335 5.431 ( 4.185 0.000 -0.196) 4.189 5.525 ( -3.355 0.000 2.455) 4.157 5.713 ( 1.345 0.000 -5.629) 5.787 5.903 ( 7.706 0.000 -11.814) 14.105 6.163 ( -3.239 0.000 2.781) 4.269 6.209 ( -0.718 0.000 -2.488) 2.590 6.888 ( -1.365 0.000 0.797) 1.580 7.119 ( -5.958 0.000 -0.526) 5.982 8.973 ( -0.012 0.000 -0.436) 0.436 8.983 ( -0.188 0.000 -0.651) 0.678 9.231 ( -1.668 0.000 1.840) 2.483 9.264 ( 2.015 0.000 -3.511) 4.048 9.422 ( 1.786 0.000 1.638) 2.424 9.428 ( -2.709 0.000 3.305) 4.273 9.719 ( -1.177 0.000 0.495) 1.277 9.933 ( -1.196 0.000 -3.990) 4.165 10.323 ( -0.261 0.000 6.658) 6.663 10.576 ( 2.919 0.000 -1.388) 3.232 10.926 ( 1.047 0.000 2.767) 2.958 10.984 ( 0.407 0.000 1.052) 1.128 11.120 ( 0.530 0.000 -2.971) 3.018 11.286 ( -6.321 0.000 -6.055) 8.753 11.438 ( 0.984 0.000 2.233) 2.440 11.474 ( -1.549 0.000 3.272) 3.620 13.062 ( -1.968 0.000 2.488) 3.172 13.140 ( 4.241 0.000 -1.700) 4.569 13.160 ( 0.764 0.000 -2.117) 2.251 13.260 ( -0.161 0.000 -1.697) 1.705 20.023 ( 0.062 0.000 2.504) 2.505 20.265 ( -0.433 0.000 -4.532) 4.553 20.519 ( 1.162 0.000 2.552) 2.804 20.571 ( 1.403 0.000 -0.172) 1.413 23.792 ( -0.513 0.000 1.073) 1.189 23.835 ( -0.161 0.000 -0.994) 1.007 24.753 ( -3.071 0.000 9.513) 9.997 25.237 ( -3.275 0.000 -5.281) 6.214 25.896 ( 0.496 0.000 -0.199) 0.535 26.002 ( 0.728 0.000 -1.790) 1.932 26.361 ( 2.010 0.000 -2.499) 3.207 26.394 ( -4.243 0.000 2.381) 4.866 27.441 ( 0.943 0.000 1.247) 1.564 27.445 ( 0.507 0.000 0.445) 0.675 27.534 ( 0.595 0.000 1.824) 1.919 27.712 ( 0.082 0.000 0.079) 0.114 28.170 ( 1.077 0.000 0.034) 1.078 28.196 ( 0.557 0.000 -0.338) 0.651 28.431 ( 0.923 0.000 2.244) 2.426 28.919 ( -3.036 0.000 -6.873) 7.514 38.898 ( 2.778 0.000 -0.084) 2.780 38.956 ( -0.104 0.000 0.747) 0.754 39.326 ( 0.442 0.000 3.392) 3.420 39.542 ( -0.704 0.000 -1.816) 1.948 73.237 ( 3.632 0.000 1.387) 3.888 73.568 ( -4.527 0.000 -1.780) 4.865 76.308 ( -6.408 0.000 15.386) 16.667 76.638 ( 5.756 0.000 -10.370) 11.860 ======================= Grid point 152 (70/128) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 4.007 0.000 1.522) 4.286 1.533 ( 6.407 0.000 -5.414) 8.388 1.802 ( 1.514 0.000 -4.309) 4.567 1.869 ( -9.300 0.000 -3.843) 10.063 1.913 ( 2.205 0.000 3.662) 4.275 2.036 ( 6.947 0.000 -1.867) 7.193 2.301 ( -3.218 0.000 6.990) 7.696 2.447 ( -1.164 0.000 -0.535) 1.281 2.618 ( -3.743 0.000 4.204) 5.629 2.676 ( -4.716 0.000 1.044) 4.830 2.749 ( 4.195 0.000 0.931) 4.297 2.817 ( -4.440 0.000 -3.807) 5.849 3.008 ( 7.343 0.000 8.201) 11.008 3.137 ( 2.271 0.000 4.202) 4.776 3.359 ( -1.347 0.000 -5.427) 5.592 3.378 ( -6.090 0.000 -8.858) 10.749 3.764 ( -9.183 0.000 0.776) 9.216 3.776 ( 7.389 0.000 -1.759) 7.596 4.008 ( -4.458 0.000 -0.071) 4.459 4.125 ( 7.801 0.000 -3.187) 8.427 4.587 ( -6.528 0.000 6.689) 9.347 4.604 ( 7.362 0.000 6.411) 9.762 4.749 ( -6.861 0.000 1.316) 6.986 4.796 ( 5.962 0.000 -1.586) 6.169 4.946 ( -4.858 0.000 5.092) 7.038 5.145 ( 3.272 0.000 1.056) 3.438 5.288 ( 0.180 0.000 -6.057) 6.059 5.288 ( 1.652 0.000 1.907) 2.523 5.452 ( -5.231 0.000 1.124) 5.350 5.489 ( -1.034 0.000 5.136) 5.239 5.726 ( 4.782 0.000 -6.451) 8.031 5.928 ( 4.754 0.000 -12.676) 13.538 6.129 ( -2.465 0.000 2.879) 3.790 6.203 ( 1.000 0.000 -1.202) 1.564 6.930 ( 3.954 0.000 2.517) 4.687 7.018 ( -3.440 0.000 -1.856) 3.908 8.979 ( 1.037 0.000 -0.952) 1.407 8.980 ( 0.465 0.000 -0.804) 0.928 9.204 ( -2.426 0.000 1.395) 2.799 9.279 ( 1.691 0.000 -2.116) 2.709 9.402 ( -2.310 0.000 3.036) 3.815 9.478 ( 2.911 0.000 0.973) 3.069 9.715 ( -0.038 0.000 1.676) 1.676 9.880 ( -0.718 0.000 -4.876) 4.929 10.365 ( -0.930 0.000 7.463) 7.521 10.596 ( 0.658 0.000 -2.574) 2.657 10.963 ( 0.734 0.000 3.574) 3.649 11.003 ( 0.578 0.000 1.357) 1.475 11.106 ( 0.558 0.000 -3.593) 3.636 11.144 ( -3.555 0.000 -5.698) 6.716 11.463 ( -1.866 0.000 2.947) 3.488 11.479 ( 1.591 0.000 1.649) 2.291 13.043 ( -1.908 0.000 2.638) 3.255 13.155 ( 0.746 0.000 -2.456) 2.567 13.200 ( 2.528 0.000 -0.515) 2.580 13.233 ( -1.256 0.000 -2.223) 2.554 20.052 ( 0.663 0.000 3.407) 3.471 20.217 ( -0.972 0.000 -4.752) 4.850 20.548 ( 0.142 0.000 1.779) 1.785 20.586 ( 0.393 0.000 -0.306) 0.498 23.791 ( -0.303 0.000 0.940) 0.988 23.831 ( 0.443 0.000 -0.916) 1.017 24.776 ( -1.917 0.000 10.487) 10.661 25.152 ( -0.713 0.000 -7.122) 7.158 25.917 ( 1.026 0.000 0.968) 1.411 25.997 ( 0.313 0.000 -2.514) 2.533 26.332 ( -3.711 0.000 1.625) 4.051 26.396 ( 3.163 0.000 -1.477) 3.491 27.446 ( -0.961 0.000 0.805) 1.254 27.456 ( 0.402 0.000 0.508) 0.648 27.575 ( 1.737 0.000 2.908) 3.387 27.677 ( -2.493 0.000 -1.781) 3.064 28.193 ( 1.375 0.000 -0.330) 1.415 28.195 ( -0.249 0.000 -0.586) 0.636 28.502 ( 2.692 0.000 6.096) 6.664 28.816 ( -2.189 0.000 -8.452) 8.731 38.943 ( 2.016 0.000 0.060) 2.017 38.947 ( -1.150 0.000 -0.082) 1.153 39.362 ( 0.362 0.000 4.215) 4.231 39.506 ( -1.120 0.000 -2.755) 2.974 73.328 ( 3.869 0.000 3.162) 4.997 73.454 ( -5.223 0.000 -2.845) 5.948 76.279 ( -6.833 0.000 11.525) 13.398 76.711 ( 9.588 0.000 -8.838) 13.040 ======================= Grid point 153 (71/128) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -7.170 0.000 -0.549) 7.191 1.530 ( -10.472 0.000 -9.514) 14.148 1.644 ( -1.317 0.000 -0.133) 1.324 1.757 ( -1.168 0.000 -4.526) 4.675 2.080 ( 9.397 0.000 1.778) 9.563 2.143 ( 4.828 0.000 -3.784) 6.135 2.310 ( -2.422 0.000 6.563) 6.995 2.402 ( -4.279 0.000 0.965) 4.387 2.523 ( -11.141 0.000 1.030) 11.189 2.608 ( -0.336 0.000 7.158) 7.166 2.701 ( -4.419 0.000 0.577) 4.457 2.809 ( 1.120 0.000 0.238) 1.145 3.160 ( -2.498 0.000 -5.479) 6.021 3.224 ( 1.396 0.000 3.093) 3.393 3.263 ( 0.440 0.000 -0.183) 0.477 3.276 ( 4.553 0.000 -0.761) 4.616 3.667 ( -1.416 0.000 -1.632) 2.161 3.912 ( 6.332 0.000 1.689) 6.553 3.941 ( -2.669 0.000 2.592) 3.721 4.266 ( 10.350 0.000 -6.361) 12.149 4.488 ( -9.828 0.000 7.699) 12.484 4.652 ( -2.319 0.000 -2.906) 3.718 4.741 ( 3.314 0.000 2.310) 4.039 4.888 ( 3.418 0.000 1.058) 3.578 4.906 ( -2.876 0.000 6.189) 6.825 5.197 ( -0.463 0.000 5.021) 5.043 5.277 ( 2.577 0.000 -5.381) 5.966 5.341 ( 0.576 0.000 -2.064) 2.143 5.388 ( -0.301 0.000 3.701) 3.713 5.488 ( -0.263 0.000 2.488) 2.502 5.775 ( 4.118 0.000 -5.464) 6.842 5.909 ( 3.620 0.000 -15.025) 15.455 6.115 ( -1.032 0.000 2.932) 3.108 6.213 ( 0.450 0.000 -0.314) 0.548 6.973 ( 0.957 0.000 -3.214) 3.354 7.052 ( 6.438 0.000 2.798) 7.019 8.991 ( 1.495 0.000 -1.047) 1.825 8.993 ( 1.199 0.000 -1.321) 1.784 9.165 ( -2.448 0.000 1.313) 2.778 9.296 ( 1.380 0.000 -1.184) 1.818 9.384 ( -1.734 0.000 2.248) 2.839 9.535 ( 2.656 0.000 -0.490) 2.701 9.745 ( 0.967 0.000 4.065) 4.179 9.844 ( 0.792 0.000 -4.737) 4.802 10.387 ( -2.681 0.000 7.512) 7.976 10.565 ( -1.256 0.000 -3.877) 4.075 11.014 ( -0.645 0.000 0.213) 0.679 11.023 ( 2.320 0.000 6.128) 6.552 11.078 ( 0.192 0.000 -3.164) 3.170 11.089 ( 0.585 0.000 -4.091) 4.132 11.447 ( -1.956 0.000 2.678) 3.317 11.518 ( 1.634 0.000 0.398) 1.681 13.029 ( -1.595 0.000 2.504) 2.968 13.150 ( 0.208 0.000 -1.640) 1.653 13.180 ( -2.313 0.000 -2.779) 3.615 13.229 ( 0.840 0.000 -0.134) 0.851 20.093 ( 0.667 0.000 3.985) 4.040 20.165 ( -0.756 0.000 -4.585) 4.647 20.549 ( -1.182 0.000 1.218) 1.697 20.584 ( -0.177 0.000 -0.653) 0.677 23.794 ( -0.142 0.000 0.969) 0.979 23.838 ( 1.057 0.000 -1.068) 1.502 24.844 ( 0.467 0.000 12.852) 12.860 25.105 ( 1.069 0.000 -7.385) 7.462 25.944 ( 1.118 0.000 0.811) 1.381 25.975 ( -0.454 0.000 -3.308) 3.339 26.280 ( -2.851 0.000 1.320) 3.141 26.457 ( 3.949 0.000 -0.727) 4.016 27.428 ( -1.441 0.000 0.941) 1.721 27.462 ( -0.524 0.000 0.604) 0.800 27.616 ( -1.871 0.000 -2.091) 2.806 27.634 ( 1.655 0.000 3.819) 4.163 28.182 ( -0.563 0.000 -0.539) 0.779 28.213 ( 1.262 0.000 -1.293) 1.807 28.607 ( 2.797 0.000 7.945) 8.423 28.704 ( -2.510 0.000 -10.689) 10.980 38.912 ( -2.288 0.000 -0.500) 2.342 38.978 ( 1.800 0.000 -0.160) 1.808 39.401 ( 0.105 0.000 5.221) 5.222 39.464 ( -0.945 0.000 -3.281) 3.415 73.346 ( -3.144 0.000 -4.111) 5.176 73.416 ( 1.830 0.000 5.174) 5.488 76.219 ( -7.801 0.000 10.373) 12.979 76.880 ( 15.378 0.000 -10.163) 18.433 ======================= Grid point 154 (72/128) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -18.338 0.000 -5.323) 19.095 1.184 ( -15.597 0.000 1.590) 15.677 1.695 ( 4.316 0.000 -2.631) 5.054 1.718 ( 1.826 0.000 -7.835) 8.045 2.077 ( -18.451 0.000 8.141) 20.167 2.216 ( -1.707 0.000 -4.327) 4.651 2.220 ( 2.671 0.000 -1.873) 3.262 2.316 ( -2.231 0.000 2.356) 3.245 2.443 ( -0.089 0.000 2.970) 2.972 2.685 ( 1.363 0.000 3.780) 4.018 2.694 ( 2.932 0.000 3.989) 4.950 2.786 ( -3.374 0.000 0.203) 3.380 3.056 ( -1.560 0.000 -7.283) 7.448 3.149 ( -1.932 0.000 -3.072) 3.629 3.305 ( 1.858 0.000 1.798) 2.586 3.475 ( 7.415 0.000 2.170) 7.726 3.637 ( -0.828 0.000 -1.616) 1.816 3.994 ( 6.012 0.000 5.155) 7.919 3.998 ( -0.764 0.000 3.424) 3.508 4.323 ( -7.271 0.000 4.104) 8.349 4.465 ( 10.681 0.000 -1.839) 10.838 4.598 ( -0.218 0.000 -5.395) 5.399 4.792 ( 1.122 0.000 1.685) 2.024 4.905 ( -1.994 0.000 0.595) 2.081 4.952 ( 3.341 0.000 4.538) 5.635 5.204 ( -6.841 0.000 3.438) 7.656 5.243 ( -2.616 0.000 7.077) 7.545 5.300 ( -2.334 0.000 -0.585) 2.406 5.453 ( 3.660 0.000 -0.229) 3.667 5.581 ( 11.285 0.000 -6.337) 12.943 5.781 ( 0.008 0.000 -4.369) 4.369 5.827 ( -0.121 0.000 -18.197) 18.197 6.133 ( 0.557 0.000 2.906) 2.959 6.218 ( -0.182 0.000 1.545) 1.556 7.019 ( 6.462 0.000 -3.200) 7.211 7.205 ( 7.537 0.000 2.363) 7.899 9.003 ( 0.881 0.000 -1.357) 1.617 9.024 ( 2.770 0.000 -1.200) 3.019 9.139 ( -1.119 0.000 1.420) 1.808 9.313 ( 1.202 0.000 -0.939) 1.525 9.366 ( -1.701 0.000 1.536) 2.292 9.564 ( 1.053 0.000 -1.697) 1.997 9.807 ( 1.520 0.000 5.842) 6.037 9.844 ( 2.441 0.000 -3.855) 4.563 10.369 ( -4.577 0.000 6.524) 7.969 10.505 ( -1.729 0.000 -4.005) 4.363 10.984 ( -1.399 0.000 -1.859) 2.327 11.068 ( 0.366 0.000 -4.213) 4.229 11.089 ( 1.811 0.000 -1.066) 2.101 11.154 ( 5.300 0.000 9.838) 11.175 11.430 ( -1.599 0.000 2.554) 3.013 11.543 ( 1.029 0.000 -0.807) 1.307 13.010 ( -2.302 0.000 0.897) 2.470 13.118 ( -1.841 0.000 -1.675) 2.489 13.136 ( -0.763 0.000 -0.633) 0.991 13.234 ( -0.213 0.000 0.225) 0.310 20.127 ( 0.107 0.000 -3.988) 3.989 20.129 ( -0.043 0.000 3.991) 3.991 20.522 ( -2.362 0.000 0.826) 2.502 20.573 ( -0.071 0.000 -1.338) 1.340 23.800 ( -0.061 0.000 1.182) 1.183 23.854 ( 1.515 0.000 -1.407) 2.067 24.998 ( 5.035 0.000 16.503) 17.254 25.078 ( 1.404 0.000 -6.783) 6.927 25.932 ( -1.184 0.000 -3.774) 3.956 25.972 ( 1.537 0.000 0.005) 1.537 26.244 ( -1.970 0.000 1.729) 2.621 26.529 ( 3.912 0.000 -0.474) 3.941 27.413 ( -0.912 0.000 1.543) 1.793 27.435 ( -2.530 0.000 -0.012) 2.530 27.591 ( 0.643 0.000 -1.574) 1.701 27.682 ( 0.248 0.000 2.807) 2.817 28.170 ( -0.257 0.000 -0.324) 0.414 28.221 ( 0.947 0.000 -2.420) 2.599 28.560 ( -3.941 0.000 -11.394) 12.056 28.720 ( 2.510 0.000 8.895) 9.243 38.856 ( -3.025 0.000 -0.632) 3.090 39.011 ( 2.087 0.000 -1.124) 2.371 39.425 ( -0.479 0.000 -3.451) 3.484 39.441 ( -0.128 0.000 5.794) 5.796 73.285 ( 0.411 0.000 -5.080) 5.096 73.462 ( -1.649 0.000 6.387) 6.596 76.135 ( -9.241 0.000 11.400) 14.675 77.129 ( 19.748 0.000 -15.684) 25.218 ======================= Grid point 155 (73/128) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -15.097 0.000 4.410) 15.728 0.887 ( -17.255 0.000 8.099) 19.061 1.697 ( 2.530 0.000 -11.166) 11.449 1.707 ( -23.915 0.000 16.959) 29.318 1.758 ( 0.989 0.000 -1.709) 1.974 2.137 ( -5.565 0.000 0.537) 5.591 2.161 ( -1.049 0.000 -8.112) 8.179 2.401 ( 5.287 0.000 -2.266) 5.752 2.466 ( 0.888 0.000 0.506) 1.022 2.708 ( -1.210 0.000 -3.109) 3.336 2.741 ( -0.249 0.000 0.667) 0.712 2.760 ( 2.342 0.000 1.171) 2.618 3.043 ( 3.947 0.000 0.390) 3.966 3.103 ( -1.584 0.000 -2.175) 2.690 3.343 ( 0.395 0.000 1.494) 1.545 3.536 ( 0.024 0.000 -2.460) 2.460 3.659 ( 4.193 0.000 -0.987) 4.307 3.928 ( -5.838 0.000 -0.078) 5.838 4.202 ( 9.731 0.000 5.208) 11.037 4.203 ( -10.070 0.000 6.637) 12.061 4.588 ( 3.241 0.000 -3.055) 4.453 4.730 ( 17.392 0.000 -2.406) 17.557 4.794 ( -2.265 0.000 0.641) 2.354 4.872 ( -3.623 0.000 6.751) 7.661 5.028 ( -12.190 0.000 4.828) 13.112 5.049 ( 4.286 0.000 -4.624) 6.304 5.240 ( -3.159 0.000 -1.775) 3.623 5.250 ( -1.595 0.000 2.151) 2.678 5.494 ( 1.669 0.000 -5.548) 5.794 5.668 ( -3.231 0.000 -6.641) 7.385 5.695 ( -2.758 0.000 -3.565) 4.507 5.804 ( 13.186 0.000 -6.103) 14.530 6.167 ( 0.621 0.000 2.215) 2.300 6.223 ( -1.631 0.000 3.009) 3.423 7.160 ( 9.387 0.000 -1.260) 9.471 7.368 ( 7.902 0.000 1.593) 8.061 9.011 ( 0.965 0.000 -0.565) 1.118 9.076 ( 3.444 0.000 -1.024) 3.593 9.147 ( 0.926 0.000 1.365) 1.649 9.327 ( 1.065 0.000 -1.144) 1.563 9.341 ( -1.957 0.000 1.413) 2.414 9.548 ( -1.333 0.000 -1.975) 2.383 9.877 ( 3.396 0.000 -2.675) 4.323 9.880 ( 1.864 0.000 5.212) 5.536 10.318 ( -4.933 0.000 5.322) 7.257 10.450 ( -1.246 0.000 -2.902) 3.158 10.943 ( -0.993 0.000 -2.627) 2.808 11.041 ( -0.072 0.000 -3.864) 3.864 11.121 ( 2.464 0.000 -1.313) 2.792 11.321 ( 2.264 0.000 8.212) 8.519 11.451 ( 3.136 0.000 3.338) 4.580 11.543 ( 0.112 0.000 -1.834) 1.838 12.955 ( -2.578 0.000 0.051) 2.578 13.101 ( -0.003 0.000 0.836) 0.836 13.112 ( -1.570 0.000 0.335) 1.606 13.226 ( -0.843 0.000 0.472) 0.966 20.114 ( 1.390 0.000 -3.133) 3.428 20.145 ( -1.184 0.000 3.424) 3.622 20.476 ( -2.938 0.000 0.600) 2.999 20.559 ( -0.112 0.000 -2.808) 2.811 23.808 ( -0.144 0.000 1.478) 1.485 23.873 ( 1.664 0.000 -1.799) 2.450 25.060 ( 1.529 0.000 -5.374) 5.587 25.276 ( 10.653 0.000 14.466) 17.965 25.898 ( 0.844 0.000 0.056) 0.846 26.004 ( 2.214 0.000 -0.742) 2.335 26.234 ( -0.818 0.000 2.879) 2.993 26.587 ( 2.471 0.000 -1.017) 2.672 27.376 ( -3.086 0.000 -0.814) 3.192 27.413 ( -0.610 0.000 1.146) 1.299 27.605 ( 1.777 0.000 -1.580) 2.378 27.631 ( -6.837 0.000 -5.347) 8.679 28.163 ( -0.238 0.000 -0.958) 0.988 28.216 ( 0.848 0.000 -3.348) 3.454 28.448 ( 0.156 0.000 -0.458) 0.484 28.824 ( 1.206 0.000 9.453) 9.530 38.795 ( -2.645 0.000 -0.542) 2.700 39.036 ( 1.999 0.000 -3.361) 3.911 39.397 ( 0.218 0.000 -3.373) 3.380 39.468 ( -1.487 0.000 3.792) 4.073 73.289 ( 4.025 0.000 -5.570) 6.872 73.444 ( -4.950 0.000 6.034) 7.805 76.040 ( -10.032 0.000 13.581) 16.885 77.328 ( 14.743 0.000 -27.859) 31.520 ======================= Grid point 156 (74/128) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -5.272 0.000 20.161) 20.839 0.745 ( -6.234 0.000 19.953) 20.904 1.394 ( -21.611 0.000 27.027) 34.604 1.639 ( 1.317 0.000 -13.555) 13.619 1.811 ( 4.504 0.000 -2.596) 5.198 2.040 ( -3.882 0.000 -12.177) 12.781 2.057 ( -3.230 0.000 -1.539) 3.578 2.423 ( 1.115 0.000 -2.689) 2.911 2.471 ( -0.166 0.000 -1.526) 1.535 2.606 ( -4.146 0.000 -11.293) 12.030 2.789 ( 2.436 0.000 -1.525) 2.874 2.847 ( 8.317 0.000 3.460) 9.008 3.042 ( -3.110 0.000 -1.956) 3.674 3.162 ( 3.308 0.000 4.806) 5.834 3.326 ( -4.041 0.000 4.218) 5.842 3.504 ( -0.124 0.000 -4.224) 4.226 3.736 ( 5.277 0.000 -3.654) 6.419 3.841 ( -2.658 0.000 -3.769) 4.612 4.043 ( -8.755 0.000 5.946) 10.583 4.357 ( 2.121 0.000 1.033) 2.359 4.655 ( 4.519 0.000 0.414) 4.538 4.708 ( -10.942 0.000 7.939) 13.519 4.849 ( -0.598 0.000 4.285) 4.326 4.885 ( -7.017 0.000 4.953) 8.589 4.944 ( -0.283 0.000 -18.106) 18.109 5.055 ( 12.196 0.000 -0.433) 12.203 5.162 ( -2.463 0.000 -2.741) 3.685 5.226 ( -0.994 0.000 -0.962) 1.383 5.505 ( 1.488 0.000 2.523) 2.929 5.594 ( -3.481 0.000 -3.761) 5.125 5.730 ( 9.978 0.000 6.038) 11.663 6.019 ( 11.187 0.000 -2.539) 11.472 6.173 ( -1.035 0.000 -0.067) 1.037 6.178 ( -6.376 0.000 4.648) 7.890 7.327 ( 7.493 0.000 1.123) 7.577 7.510 ( 5.590 0.000 -0.211) 5.594 9.042 ( 2.203 0.000 0.971) 2.408 9.133 ( 2.754 0.000 -0.736) 2.851 9.189 ( 2.426 0.000 1.209) 2.710 9.315 ( -1.932 0.000 1.902) 2.711 9.336 ( 0.795 0.000 -1.628) 1.811 9.488 ( -3.141 0.000 -2.103) 3.780 9.927 ( 3.283 0.000 -1.493) 3.607 9.951 ( 2.596 0.000 2.023) 3.291 10.275 ( -2.870 0.000 4.664) 5.476 10.413 ( -1.233 0.000 -1.427) 1.886 10.920 ( 0.839 0.000 -2.489) 2.627 11.004 ( -1.539 0.000 -3.075) 3.439 11.169 ( 3.943 0.000 -1.721) 4.302 11.353 ( -1.638 0.000 4.811) 5.082 11.484 ( -5.296 0.000 -3.412) 6.300 11.526 ( 0.022 0.000 -2.728) 2.728 12.985 ( 5.514 0.000 3.435) 6.496 13.085 ( -1.774 0.000 1.155) 2.117 13.112 ( 0.221 0.000 0.983) 1.007 13.208 ( -1.433 0.000 0.264) 1.457 20.134 ( 2.788 0.000 -2.302) 3.615 20.136 ( -2.029 0.000 2.643) 3.332 20.425 ( -2.635 0.000 0.604) 2.704 20.513 ( -2.274 0.000 -3.940) 4.549 23.814 ( -0.462 0.000 1.668) 1.731 23.889 ( 1.403 0.000 -2.078) 2.507 25.066 ( 2.686 0.000 -3.144) 4.135 25.396 ( -5.332 0.000 -5.530) 7.682 26.048 ( 3.049 0.000 -0.707) 3.130 26.084 ( 12.181 0.000 6.071) 13.610 26.265 ( 2.295 0.000 5.173) 5.659 26.598 ( -0.176 0.000 -2.350) 2.356 27.259 ( -14.736 0.000 -7.757) 16.653 27.310 ( -2.881 0.000 -1.791) 3.392 27.469 ( -2.529 0.000 3.779) 4.548 27.627 ( 1.804 0.000 -2.138) 2.797 28.155 ( 0.185 0.000 -0.680) 0.704 28.206 ( 0.856 0.000 -3.754) 3.851 28.663 ( 18.261 0.000 9.626) 20.643 28.889 ( -1.948 0.000 9.245) 9.448 38.758 ( -0.794 0.000 -0.015) 0.794 39.009 ( -2.490 0.000 -6.728) 7.174 39.387 ( 1.320 0.000 -3.141) 3.407 39.399 ( -7.610 0.000 0.877) 7.660 73.351 ( 6.541 0.000 -5.604) 8.613 73.369 ( -6.573 0.000 4.582) 8.013 75.966 ( -8.668 0.000 16.110) 18.294 77.164 ( -8.182 0.000 -34.684) 35.636 ======================= Grid point 157 (75/128) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.759 -10.975 23.895) 26.305 0.940 ( -4.187 10.961 17.204) 20.825 1.589 ( 1.316 -2.587 -9.927) 10.342 1.659 ( 4.018 -1.492 -9.423) 10.352 1.689 ( 3.939 10.510 10.265) 15.210 1.852 ( 5.859 -4.211 1.696) 7.412 1.930 ( -6.609 -3.864 -5.429) 9.385 2.405 ( -3.616 -2.547 -3.506) 5.644 2.455 ( -1.284 -0.015 -0.186) 1.297 2.556 ( 1.470 5.181 -6.659) 8.564 2.886 ( -1.816 0.174 0.918) 2.042 2.927 ( 2.797 6.086 -1.149) 6.796 3.062 ( 2.394 0.055 1.260) 2.706 3.173 ( -1.742 0.111 -2.928) 3.409 3.332 ( -4.292 3.895 5.034) 7.677 3.512 ( 1.052 -0.519 -3.523) 3.713 3.745 ( 3.838 5.667 -0.324) 6.852 3.863 ( -0.639 2.346 -3.940) 4.630 4.089 ( 4.542 0.367 5.676) 7.279 4.223 ( -7.013 -4.221 -0.084) 8.185 4.526 ( -6.480 -2.977 5.227) 8.842 4.734 ( -2.676 -2.854 -1.211) 4.095 4.752 ( 1.506 -1.406 1.842) 2.764 4.878 ( -2.438 1.860 2.379) 3.881 4.976 ( 7.132 2.649 2.769) 8.096 5.045 ( 2.659 -1.357 -2.627) 3.976 5.224 ( 1.965 3.037 -1.024) 3.759 5.418 ( 1.234 9.208 -6.654) 11.428 5.469 ( -2.735 -1.997 -1.399) 3.664 5.550 ( 1.082 0.794 -2.730) 3.042 5.923 ( 9.359 -8.607 4.655) 13.540 6.014 ( -10.103 -2.486 4.453) 11.317 6.060 ( -2.495 -2.189 -1.116) 3.502 6.180 ( 6.387 -2.947 -3.159) 7.711 7.389 ( 0.127 -3.978 1.662) 4.313 7.466 ( 0.549 -6.002 -1.475) 6.205 9.103 ( 0.448 1.219 1.396) 1.907 9.148 ( -0.307 0.232 -0.816) 0.902 9.237 ( 0.866 -0.930 2.075) 2.433 9.288 ( -0.308 -1.516 1.919) 2.465 9.342 ( 0.162 0.444 -2.266) 2.315 9.386 ( -0.910 -1.747 -1.307) 2.364 9.905 ( -1.444 -0.667 2.650) 3.090 10.018 ( 0.668 -0.311 -3.277) 3.359 10.365 ( 0.091 2.662 1.266) 2.949 10.412 ( 2.080 2.220 -0.888) 3.169 10.803 ( -4.262 -4.333 2.729) 6.663 10.905 ( 1.855 -3.027 -2.473) 4.327 11.288 ( -1.700 3.886 2.043) 4.708 11.329 ( -3.291 5.903 0.161) 6.761 11.512 ( -1.163 7.781 -2.221) 8.175 11.547 ( 1.151 3.312 -2.658) 4.401 13.027 ( 1.357 -1.143 3.248) 3.701 13.121 ( -0.299 -0.187 0.439) 0.563 13.179 ( 1.959 1.866 -2.939) 3.995 13.187 ( -1.127 0.659 -1.135) 1.730 20.114 ( -2.209 0.522 1.787) 2.889 20.206 ( 3.438 -0.063 -3.009) 4.569 20.456 ( -1.097 6.472 -1.408) 6.714 20.502 ( -0.764 4.336 -2.541) 5.084 23.805 ( -0.688 -0.570 1.692) 1.913 23.882 ( 0.389 -1.211 -1.927) 2.309 25.017 ( -9.415 -4.970 5.832) 12.139 25.119 ( 0.700 -1.728 -0.927) 2.082 26.059 ( 3.085 -0.773 3.875) 5.013 26.175 ( -2.884 0.293 -1.127) 3.110 26.432 ( 0.726 3.454 -0.757) 3.610 26.545 ( -2.286 -0.288 -3.970) 4.590 27.166 ( 1.836 2.945 2.918) 4.534 27.331 ( -0.728 6.645 -6.375) 9.237 27.462 ( -1.061 -1.002 4.447) 4.680 27.637 ( 1.187 -0.216 -3.291) 3.505 28.155 ( 0.246 -0.049 -0.608) 0.658 28.185 ( 0.568 -0.740 -3.229) 3.361 28.832 ( -5.661 -3.349 6.380) 9.164 28.966 ( 13.761 -9.397 1.112) 16.701 38.767 ( -0.135 -0.234 1.597) 1.619 38.814 ( -5.531 -1.052 -0.288) 5.638 39.290 ( -2.776 0.404 2.666) 3.870 39.397 ( 2.450 -0.844 -2.418) 3.545 73.311 ( -4.120 2.866 3.865) 6.335 73.501 ( 4.612 2.342 -4.636) 6.946 76.485 ( 4.278 36.627 -5.334) 37.260 76.914 ( -11.863 15.019 -18.202) 26.413 ======================= Grid point 158 (76/128) ======================= q-point: ( 0.10 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.902 -6.781 16.741) 18.085 1.090 ( 7.916 -3.458 17.463) 19.482 1.514 ( 2.407 -1.753 -16.648) 16.912 1.664 ( 6.434 4.834 -18.035) 19.749 1.765 ( -3.180 -9.125 -5.054) 10.905 1.928 ( 5.833 -6.144 5.983) 10.371 2.043 ( 9.341 13.264 15.361) 22.342 2.292 ( -1.284 2.930 -3.720) 4.906 2.438 ( -2.331 -1.785 0.971) 3.092 2.538 ( 0.962 0.040 -6.102) 6.178 2.763 ( -6.944 2.465 -0.067) 7.369 3.016 ( 3.065 8.725 0.729) 9.276 3.095 ( -0.155 1.678 -3.835) 4.189 3.166 ( 3.352 -4.447 0.350) 5.580 3.351 ( 2.377 1.399 5.579) 6.224 3.532 ( 2.621 0.994 -1.443) 3.153 3.741 ( -5.585 5.688 -5.700) 9.799 3.828 ( 0.365 3.783 -0.345) 3.816 4.083 ( -2.704 -2.551 2.999) 4.776 4.226 ( 0.852 -0.279 4.659) 4.745 4.481 ( -1.303 -2.487 4.222) 5.071 4.653 ( -4.043 -0.968 1.207) 4.329 4.779 ( -7.898 -0.429 3.253) 8.553 4.841 ( 6.247 -8.497 -2.390) 10.813 5.133 ( 5.183 3.533 4.147) 7.520 5.163 ( 1.833 4.858 -1.653) 5.449 5.177 ( 1.243 5.189 -2.638) 5.952 5.338 ( -0.106 -0.595 -9.624) 9.643 5.477 ( 1.218 1.912 2.795) 3.599 5.584 ( 3.541 0.547 -2.205) 4.208 5.822 ( -11.696 -0.683 3.391) 12.197 5.882 ( -7.323 -3.363 -3.812) 8.914 6.150 ( 6.604 -9.668 -2.058) 11.888 6.250 ( 1.974 -4.280 -0.599) 4.751 7.308 ( -7.614 -5.424 0.039) 9.349 7.456 ( -1.960 -2.115 -0.413) 2.913 9.086 ( -2.937 0.421 0.877) 3.094 9.115 ( -2.400 1.048 -0.657) 2.699 9.244 ( -1.115 -1.060 2.498) 2.934 9.271 ( -0.951 -1.191 -2.057) 2.560 9.371 ( 2.532 -0.799 1.127) 2.885 9.380 ( 0.635 -0.679 -1.103) 1.442 9.878 ( -3.321 -0.570 2.332) 4.098 9.999 ( -0.228 -0.413 -2.045) 2.099 10.366 ( 0.251 0.718 0.768) 1.081 10.431 ( -0.853 4.481 -0.733) 4.620 10.776 ( 0.118 0.486 2.940) 2.983 10.922 ( 1.585 -3.342 -2.046) 4.227 11.162 ( -5.559 4.004 1.310) 6.975 11.388 ( 2.171 6.029 4.253) 7.691 11.488 ( -1.111 4.424 -0.091) 4.562 11.596 ( 4.323 2.941 -2.275) 5.702 13.044 ( -1.200 1.325 0.280) 1.809 13.093 ( -0.995 -0.307 0.646) 1.225 13.164 ( 0.191 -0.164 -1.916) 1.933 13.225 ( 2.539 -0.794 -0.373) 2.687 20.079 ( -2.474 1.030 1.245) 2.955 20.241 ( 2.437 -1.862 -2.768) 4.131 20.431 ( -0.397 5.759 1.005) 5.859 20.512 ( 2.406 4.733 -1.505) 5.519 23.803 ( -0.750 -0.304 1.712) 1.894 23.872 ( -0.062 -1.373 -1.594) 2.105 24.871 ( -8.899 1.177 7.961) 11.998 25.185 ( 3.847 -3.587 1.869) 5.582 26.054 ( -4.281 1.034 -0.977) 4.511 26.144 ( -0.424 0.385 1.832) 1.920 26.449 ( -0.688 0.496 2.256) 2.411 26.469 ( -1.702 0.457 -3.196) 3.649 27.195 ( 0.619 0.383 0.206) 0.757 27.353 ( 4.950 5.976 -2.390) 8.120 27.469 ( -0.997 -1.331 3.192) 3.599 27.639 ( 1.564 0.451 -3.003) 3.416 28.156 ( 0.330 -0.104 -0.469) 0.583 28.173 ( 0.456 -0.484 -2.621) 2.704 28.730 ( -8.011 -1.614 2.449) 8.531 29.110 ( 3.139 -9.557 -3.865) 10.776 38.740 ( -0.463 0.749 1.534) 1.769 38.825 ( 2.132 -0.507 2.338) 3.205 39.278 ( -0.651 0.985 2.086) 2.397 39.442 ( 3.570 -1.457 -1.491) 4.134 73.259 ( -3.509 4.099 2.529) 5.959 73.560 ( 4.284 0.160 -2.914) 5.183 76.405 ( -8.181 26.960 6.061) 28.818 76.785 ( 5.035 13.614 -12.353) 19.060 ======================= Grid point 159 (77/128) ======================= q-point: ( 0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 5.457 -2.840 5.950) 8.558 1.343 ( 8.483 -11.518 -0.987) 14.339 1.501 ( -0.074 9.301 -2.956) 9.760 1.580 ( 7.069 -0.178 -12.546) 14.402 1.777 ( 5.431 -5.652 -3.312) 8.509 2.071 ( 6.511 -9.150 3.180) 11.672 2.294 ( -0.264 -2.949 -0.848) 3.080 2.337 ( 6.584 4.785 9.014) 12.145 2.391 ( 0.323 4.059 5.112) 6.535 2.515 ( 1.569 -0.564 -6.167) 6.389 2.667 ( -2.810 4.278 1.259) 5.271 3.039 ( -1.304 10.975 -1.439) 11.146 3.060 ( 0.557 2.990 -1.440) 3.365 3.232 ( 1.591 -4.133 -1.501) 4.675 3.420 ( -4.031 -1.705 0.962) 4.482 3.531 ( -1.446 7.554 -1.834) 7.907 3.589 ( 1.436 -0.492 -0.590) 1.629 3.867 ( 2.647 5.978 2.550) 7.017 4.140 ( 2.274 -1.729 6.390) 6.999 4.204 ( -4.466 -4.529 2.225) 6.738 4.503 ( -0.941 -2.338 2.292) 3.407 4.598 ( -1.989 -0.584 -2.363) 3.144 4.665 ( -4.096 -3.967 1.374) 5.865 4.946 ( 4.688 -4.485 -0.435) 6.503 5.014 ( -6.879 2.096 -1.603) 7.368 5.173 ( -3.684 3.821 2.798) 6.000 5.270 ( 3.832 3.967 2.841) 6.204 5.359 ( 1.901 3.694 -2.165) 4.685 5.494 ( -2.642 -2.637 0.260) 3.742 5.600 ( -1.442 0.166 -1.692) 2.229 5.681 ( -0.121 -2.351 -4.775) 5.324 5.745 ( -0.753 -1.490 -5.139) 5.404 6.200 ( 0.583 -6.395 -1.909) 6.699 6.249 ( -1.330 -5.384 -0.303) 5.554 7.144 ( -8.461 -2.246 -1.024) 8.814 7.382 ( -5.390 -0.084 0.091) 5.392 9.025 ( -3.330 0.002 0.160) 3.333 9.058 ( -2.813 1.002 -0.454) 3.021 9.241 ( -1.148 -0.800 2.523) 2.886 9.246 ( 0.408 -1.000 -3.212) 3.389 9.385 ( 0.605 0.128 -0.344) 0.707 9.418 ( 0.816 -1.587 2.031) 2.704 9.823 ( -3.686 0.919 1.760) 4.186 9.984 ( -0.103 -0.640 -1.349) 1.496 10.371 ( -1.872 5.320 2.123) 6.026 10.419 ( 1.900 -0.861 -0.445) 2.133 10.831 ( 2.939 1.477 1.692) 3.699 10.935 ( 1.311 -3.064 -1.761) 3.769 11.107 ( -1.803 1.018 1.160) 2.373 11.450 ( 0.736 5.096 4.783) 7.028 11.469 ( -1.018 2.991 0.413) 3.186 11.621 ( -0.733 2.938 -2.027) 3.644 13.029 ( 1.249 0.654 -2.050) 2.488 13.091 ( -0.583 0.723 1.871) 2.089 13.158 ( 0.432 -0.656 -1.827) 1.988 13.260 ( 1.267 -0.179 -0.094) 1.283 20.045 ( -1.902 1.225 1.180) 2.552 20.258 ( 1.357 -3.046 -2.581) 4.217 20.455 ( 1.265 4.362 2.248) 5.068 20.551 ( 2.449 4.283 -1.111) 5.057 23.801 ( -0.727 0.063 1.590) 1.749 23.858 ( -0.264 -1.064 -1.227) 1.645 24.799 ( -5.402 2.572 8.225) 10.171 25.258 ( 1.494 -5.541 2.157) 6.131 25.971 ( -2.992 -0.377 -2.079) 3.663 26.109 ( -3.635 2.507 0.146) 4.418 26.391 ( -1.411 0.324 -3.982) 4.237 26.473 ( -1.472 -0.146 3.398) 3.706 27.239 ( 3.306 -2.283 0.923) 4.123 27.417 ( 0.592 0.352 1.757) 1.887 27.491 ( 3.075 2.249 0.404) 3.831 27.660 ( 2.554 2.247 -1.358) 3.663 28.159 ( 0.375 -0.195 -1.084) 1.163 28.170 ( 0.801 0.096 -1.030) 1.309 28.586 ( -7.022 0.715 -0.962) 7.124 29.076 ( -2.377 -6.789 -4.657) 8.569 38.777 ( 2.868 0.656 0.495) 2.983 38.883 ( 1.704 -1.233 2.639) 3.375 39.288 ( 0.129 1.188 2.030) 2.355 39.498 ( 2.860 -2.001 -0.675) 3.555 73.222 ( -1.699 4.381 1.425) 4.910 73.610 ( 2.284 -1.561 -1.484) 3.139 76.356 ( -4.862 13.926 12.785) 19.520 76.776 ( 1.705 11.389 -9.803) 15.124 ======================= Grid point 160 (78/128) ======================= q-point: ( 0.30 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 7.014 1.075 -1.998) 7.372 1.442 ( 3.877 8.108 -6.240) 10.941 1.481 ( 10.417 -7.454 -6.413) 14.324 1.782 ( 9.552 0.506 2.448) 9.873 1.863 ( 4.275 -3.485 -0.385) 5.529 2.173 ( -2.057 -4.564 0.396) 5.022 2.234 ( 1.938 -6.828 0.853) 7.148 2.396 ( 0.425 -1.362 2.953) 3.279 2.497 ( 0.833 -3.263 -2.786) 4.371 2.558 ( 3.445 1.556 3.508) 5.157 2.703 ( 4.551 6.939 4.607) 9.491 2.983 ( -2.176 10.533 -2.093) 10.957 3.076 ( -1.010 1.875 0.871) 2.301 3.102 ( -7.551 3.731 -3.392) 9.080 3.364 ( 0.844 -1.919 -1.232) 2.432 3.574 ( 1.630 1.218 -1.220) 2.373 3.630 ( 2.037 -0.137 0.939) 2.247 3.954 ( 3.747 1.249 2.171) 4.507 4.118 ( -4.520 0.015 3.480) 5.704 4.181 ( -4.798 0.504 4.596) 6.663 4.446 ( -4.323 -5.073 -1.762) 6.894 4.537 ( 0.562 -0.840 -3.162) 3.320 4.686 ( 2.220 -3.880 2.761) 5.254 4.889 ( -6.525 0.308 2.185) 6.888 5.011 ( 2.988 3.361 2.266) 5.036 5.156 ( -4.437 -1.979 3.155) 5.792 5.248 ( -4.791 -0.252 0.757) 4.857 5.372 ( 1.305 3.523 1.469) 4.034 5.403 ( -2.003 -3.629 -4.152) 5.867 5.573 ( -0.604 1.190 0.327) 1.374 5.674 ( 0.446 -4.040 -4.372) 5.970 5.794 ( 8.376 -1.635 -7.968) 11.676 6.165 ( -3.319 -3.833 1.091) 5.186 6.213 ( -1.298 -4.419 -1.806) 4.947 7.001 ( -5.237 2.286 -0.756) 5.764 7.267 ( -6.301 1.372 -0.161) 6.451 8.974 ( -1.966 -0.722 0.080) 2.096 9.011 ( -1.662 0.412 -0.648) 1.831 9.232 ( -0.929 -0.869 1.075) 1.666 9.244 ( 1.170 -1.065 -2.389) 2.866 9.398 ( 0.665 0.682 0.562) 1.106 9.431 ( -1.039 -1.446 2.318) 2.923 9.773 ( -2.608 1.938 1.244) 3.479 9.969 ( -0.437 -0.512 -1.855) 1.974 10.354 ( -1.413 4.865 2.937) 5.855 10.471 ( 3.098 -3.226 -0.230) 4.479 10.892 ( 2.102 1.052 1.229) 2.652 10.950 ( 1.409 -2.814 -1.008) 3.305 11.091 ( -0.736 -0.024 0.279) 0.787 11.437 ( -2.520 -0.805 -1.406) 2.995 11.490 ( -0.302 6.955 4.292) 8.178 11.555 ( -3.386 4.663 -1.104) 5.867 13.063 ( 2.880 -0.084 -0.956) 3.036 13.094 ( -0.243 1.391 1.419) 2.002 13.153 ( 0.791 -0.859 -2.471) 2.733 13.271 ( 0.181 0.143 -0.485) 0.537 20.027 ( -0.988 1.137 1.587) 2.188 20.255 ( 0.382 -3.273 -2.774) 4.307 20.499 ( 1.474 3.078 2.293) 4.111 20.585 ( 1.808 3.349 -0.899) 3.910 23.799 ( -0.616 0.384 1.377) 1.557 23.845 ( -0.242 -0.445 -0.904) 1.037 24.772 ( -3.874 2.058 8.053) 9.170 25.254 ( -2.307 -6.272 -1.102) 6.773 25.916 ( -1.058 0.516 -1.565) 1.958 26.048 ( -1.868 2.639 -1.063) 3.404 26.355 ( 0.306 -0.010 -3.089) 3.104 26.447 ( -3.236 -0.361 2.398) 4.044 27.308 ( 2.573 -3.923 1.351) 4.883 27.412 ( -1.224 -3.859 0.916) 4.151 27.566 ( 2.968 4.981 1.292) 5.941 27.722 ( 3.670 3.372 1.003) 5.084 28.160 ( 0.612 0.231 -0.649) 0.922 28.186 ( 1.220 0.334 -0.132) 1.272 28.471 ( -3.724 1.865 -1.531) 4.437 28.980 ( -3.451 -4.907 -5.300) 8.005 38.839 ( 3.089 0.042 0.117) 3.091 38.923 ( 0.846 -1.453 1.802) 2.465 39.310 ( 0.490 1.315 2.280) 2.677 39.530 ( 1.005 -1.981 -0.913) 2.402 73.222 ( 0.818 3.825 0.972) 4.030 73.613 ( -1.240 -2.183 -0.906) 2.669 76.370 ( -4.421 7.641 13.504) 16.133 76.716 ( -0.445 6.767 -8.089) 10.556 ======================= Grid point 161 (79/128) ======================= q-point: ( 0.40 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 8.805 4.251 1.201) 9.851 1.523 ( 7.441 7.031 -4.605) 11.225 1.653 ( 10.490 -7.003 -4.310) 13.329 1.868 ( 2.130 0.480 -6.145) 6.521 1.940 ( 1.680 1.230 3.721) 4.264 2.097 ( -4.856 0.932 -0.599) 4.981 2.291 ( -0.721 -3.980 4.923) 6.371 2.409 ( -0.272 -2.635 1.045) 2.848 2.506 ( 1.023 -6.248 0.316) 6.339 2.594 ( 1.256 -5.465 -0.604) 5.640 2.822 ( 2.180 5.905 3.450) 7.178 2.931 ( -0.761 7.295 1.335) 7.455 2.986 ( -1.780 6.915 -1.124) 7.229 3.095 ( -0.450 0.368 3.519) 3.567 3.367 ( 1.259 -1.667 -3.844) 4.375 3.537 ( -3.569 -0.180 -4.419) 5.683 3.672 ( 2.683 -0.929 -0.245) 2.850 4.006 ( -4.570 3.581 4.473) 7.329 4.049 ( -1.172 -0.007 -3.198) 3.406 4.096 ( -2.679 1.340 -0.085) 2.997 4.401 ( 0.790 -2.512 3.151) 4.107 4.591 ( 4.424 -5.255 0.007) 6.869 4.707 ( -2.549 0.616 3.482) 4.359 4.812 ( -4.146 -2.185 3.271) 5.715 5.018 ( -7.330 -1.579 2.173) 7.807 5.108 ( 3.308 3.462 1.640) 5.061 5.183 ( -2.112 -5.868 0.402) 6.250 5.382 ( 1.450 0.060 -3.069) 3.395 5.433 ( 3.663 1.561 0.240) 3.989 5.546 ( -3.167 1.650 1.519) 3.880 5.640 ( -0.430 -5.173 -3.691) 6.369 5.874 ( 6.012 -3.217 -9.265) 11.503 6.115 ( -2.886 -3.814 2.550) 5.421 6.183 ( -0.495 -2.369 -1.355) 2.774 6.948 ( -0.230 5.137 0.409) 5.159 7.151 ( -5.418 2.526 -0.756) 6.026 8.952 ( -0.366 -1.288 -0.019) 1.339 8.985 ( -0.534 -0.417 -0.803) 1.051 9.221 ( -1.439 -0.766 1.608) 2.289 9.252 ( 1.696 -1.231 -2.997) 3.657 9.412 ( -0.788 -0.493 1.737) 1.970 9.428 ( 0.261 -0.043 1.597) 1.619 9.744 ( -1.330 2.324 1.221) 2.943 9.938 ( -0.836 0.206 -3.150) 3.265 10.361 ( -0.663 2.839 4.017) 4.963 10.519 ( 2.020 -4.251 -0.462) 4.729 10.923 ( 0.685 0.059 0.388) 0.789 10.979 ( 1.879 -2.900 -0.031) 3.456 11.080 ( -0.400 0.826 -0.165) 0.932 11.334 ( -4.883 1.425 -4.716) 6.937 11.509 ( -0.450 5.972 3.234) 6.806 11.522 ( -0.920 4.419 1.985) 4.931 13.071 ( -1.934 0.901 2.516) 3.299 13.138 ( 3.862 -0.100 -1.443) 4.124 13.155 ( 1.276 -0.348 -2.395) 2.735 13.260 ( -0.719 -0.206 -1.139) 1.363 20.031 ( -0.098 0.823 2.297) 2.442 20.232 ( -0.425 -2.824 -3.296) 4.361 20.539 ( 0.950 2.098 1.964) 3.027 20.606 ( 1.118 2.477 -0.852) 2.848 23.798 ( -0.467 0.598 1.176) 1.399 23.837 ( 0.011 0.135 -0.693) 0.706 24.765 ( -3.018 1.245 8.206) 8.832 25.177 ( -2.702 -5.333 -4.699) 7.604 25.911 ( 0.702 1.450 0.237) 1.628 26.020 ( -0.319 1.277 -1.463) 1.968 26.353 ( 1.101 -0.449 -1.570) 1.969 26.395 ( -3.037 -0.037 0.867) 3.158 27.350 ( 1.185 -4.494 0.846) 4.724 27.396 ( -1.029 -4.677 0.583) 4.824 27.620 ( 1.983 5.797 1.650) 6.346 27.775 ( 0.584 4.048 0.416) 4.111 28.175 ( 1.050 0.500 0.150) 1.173 28.209 ( 1.013 1.165 0.171) 1.553 28.434 ( 0.110 0.637 1.252) 1.409 28.877 ( -2.911 -3.997 -6.385) 8.076 38.891 ( 2.267 -0.600 0.233) 2.356 38.941 ( 0.049 -1.349 0.772) 1.555 39.339 ( 0.555 1.231 2.756) 3.069 39.525 ( -0.369 -1.492 -1.779) 2.351 73.267 ( 2.850 2.724 1.515) 4.224 73.551 ( -4.157 -1.604 -1.221) 4.620 76.372 ( -5.300 5.765 12.135) 14.443 76.670 ( 2.507 2.517 -7.929) 8.689 ======================= Grid point 162 (80/128) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 2.451 2.018 1.484) 3.505 1.609 ( 4.766 4.697 -6.339) 9.217 1.788 ( 2.093 -0.165 -2.309) 3.120 1.842 ( 0.642 -1.112 -1.391) 1.893 1.940 ( -7.194 2.351 0.308) 7.574 2.020 ( 5.680 -0.997 -2.322) 6.217 2.293 ( -1.948 -1.107 5.885) 6.297 2.395 ( -1.552 -4.793 -0.717) 5.089 2.498 ( -4.384 -5.977 3.757) 8.310 2.616 ( -0.027 -7.968 -1.884) 8.188 2.816 ( -2.149 6.882 2.845) 7.751 2.915 ( -2.761 5.659 -2.540) 6.789 3.054 ( 7.198 3.783 6.993) 10.725 3.153 ( 3.100 2.200 4.691) 6.038 3.353 ( 0.401 -0.693 -5.533) 5.590 3.393 ( -5.750 1.769 -7.129) 9.328 3.729 ( 1.132 -1.219 2.158) 2.725 3.873 ( -3.636 5.427 -2.378) 6.952 4.018 ( -3.581 0.729 0.437) 3.681 4.143 ( 7.595 1.712 -3.335) 8.470 4.468 ( 0.332 -5.226 5.910) 7.896 4.645 ( 0.257 -8.023 -2.301) 8.351 4.696 ( -0.178 2.509 5.590) 6.130 4.728 ( -7.494 -4.359 5.207) 10.113 4.967 ( 0.717 -0.699 2.529) 2.720 5.139 ( 4.905 -4.070 -5.571) 8.465 5.230 ( 1.252 2.821 4.926) 5.813 5.366 ( -1.085 2.591 -2.125) 3.522 5.460 ( -2.484 1.972 -1.654) 3.577 5.514 ( -0.615 0.700 3.437) 3.561 5.628 ( 2.953 -6.757 -4.329) 8.551 5.895 ( 3.845 -3.881 -9.708) 11.139 6.091 ( -2.008 -3.202 3.258) 4.990 6.175 ( 0.332 -2.562 -1.043) 2.786 6.990 ( 3.381 5.049 1.544) 6.270 7.059 ( -2.884 3.443 -1.726) 4.812 8.957 ( 0.814 -1.382 -0.215) 1.618 8.976 ( 0.239 -1.174 -0.997) 1.559 9.197 ( -2.135 -0.252 1.210) 2.467 9.265 ( 1.657 -1.304 -1.983) 2.895 9.402 ( -1.350 -0.161 1.911) 2.345 9.460 ( 1.782 -1.167 0.696) 2.241 9.742 ( -0.148 2.451 2.118) 3.243 9.899 ( -0.239 1.221 -4.160) 4.342 10.381 ( -0.846 1.170 4.993) 5.197 10.535 ( 0.283 -4.629 -1.296) 4.815 10.935 ( 0.407 -0.753 0.606) 1.048 11.001 ( 0.812 -4.026 -2.165) 4.643 11.087 ( 0.784 3.501 2.038) 4.126 11.221 ( -3.040 3.028 -4.324) 6.092 11.509 ( -1.575 4.435 3.029) 5.597 11.544 ( 1.370 5.080 1.351) 5.432 13.049 ( -2.113 0.684 2.540) 3.374 13.158 ( 1.019 0.330 -2.426) 2.652 13.195 ( 2.142 -0.514 -0.240) 2.216 13.230 ( -0.977 -0.345 -2.018) 2.269 20.055 ( 0.486 0.344 3.030) 3.087 20.194 ( -0.709 -1.954 -3.728) 4.269 20.562 ( 0.080 1.585 1.623) 2.270 20.615 ( 0.493 2.034 -0.997) 2.318 23.798 ( -0.362 0.671 1.050) 1.297 23.836 ( 0.415 0.415 -0.650) 0.876 24.780 ( -1.831 0.518 9.053) 9.251 25.105 ( -0.455 -4.210 -6.156) 7.472 25.934 ( 1.007 1.511 1.081) 2.114 26.006 ( -0.062 0.689 -1.967) 2.085 26.332 ( -2.895 0.050 1.102) 3.098 26.392 ( 2.743 -0.420 -1.661) 3.234 27.372 ( 0.497 -4.898 0.788) 4.986 27.378 ( -1.169 -4.747 0.453) 4.910 27.672 ( 1.900 6.156 2.491) 6.908 27.752 ( -2.138 5.144 -1.256) 5.711 28.195 ( 0.773 0.601 0.084) 0.983 28.220 ( 0.388 1.992 -0.691) 2.144 28.486 ( 2.304 -1.342 5.271) 5.907 28.776 ( -2.363 -3.727 -7.954) 9.096 38.925 ( 0.405 -1.285 0.457) 1.423 38.941 ( 0.266 -0.885 -0.078) 0.928 39.370 ( 0.261 0.804 3.477) 3.579 39.496 ( -0.895 -0.922 -2.535) 2.841 73.342 ( 2.927 1.332 3.002) 4.399 73.452 ( -4.343 -0.200 -2.179) 4.863 76.348 ( -5.426 6.098 9.687) 12.668 76.716 ( 8.449 0.239 -7.603) 11.369 ======================= Grid point 163 (81/128) ======================= q-point: (-0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -9.719 -1.158 0.954) 9.834 1.588 ( -8.497 4.278 -9.577) 13.499 1.637 ( -5.552 -2.383 -3.561) 7.013 1.731 ( -2.182 -0.452 -1.877) 2.914 2.060 ( 8.869 -1.009 2.669) 9.317 2.140 ( 6.861 0.800 -1.929) 7.172 2.297 ( -5.108 -3.108 2.485) 6.475 2.349 ( -2.031 -5.522 2.770) 6.503 2.396 ( -7.705 -4.125 3.729) 9.502 2.548 ( -3.709 -4.809 0.481) 6.092 2.833 ( 0.434 8.180 4.343) 9.272 2.881 ( 0.293 5.234 -0.307) 5.251 3.151 ( -3.013 2.486 -2.551) 4.665 3.229 ( -0.201 -1.777 1.040) 2.069 3.296 ( 1.246 1.069 -4.639) 4.921 3.363 ( 6.760 8.098 2.384) 10.815 3.707 ( -2.286 3.497 -0.788) 4.252 3.877 ( 2.075 -3.667 0.664) 4.266 3.989 ( 0.028 3.823 3.051) 4.891 4.276 ( 9.842 1.198 -6.168) 11.677 4.437 ( -8.538 -4.047 7.199) 11.879 4.585 ( -2.174 -4.728 -3.859) 6.479 4.692 ( 0.354 -8.802 4.357) 9.828 4.752 ( 1.683 -1.412 4.053) 4.611 5.062 ( 4.933 5.220 3.871) 8.159 5.221 ( 3.699 -4.023 -5.189) 7.536 5.238 ( -0.360 2.462 2.146) 3.286 5.332 ( -2.192 -0.322 3.165) 3.863 5.396 ( -1.321 3.172 -3.154) 4.664 5.520 ( 0.248 0.757 0.933) 1.227 5.677 ( 4.458 -6.323 -4.364) 8.883 5.878 ( 1.831 -4.145 -10.532) 11.465 6.093 ( 0.018 -1.961 3.236) 3.784 6.171 ( -0.244 -3.610 -0.435) 3.644 7.006 ( -0.004 3.173 -1.736) 3.617 7.102 ( 6.006 3.866 1.085) 7.225 8.978 ( 1.305 -1.099 -0.773) 1.874 8.980 ( 1.301 -1.468 -0.820) 2.126 9.163 ( -1.972 0.352 0.861) 2.180 9.285 ( 1.396 -1.171 -0.881) 2.024 9.389 ( -1.192 0.289 1.211) 1.724 9.497 ( 1.637 -2.854 -0.165) 3.295 9.770 ( 0.834 2.318 3.779) 4.511 9.878 ( 1.440 2.237 -4.368) 5.115 10.393 ( -2.012 0.292 5.128) 5.516 10.515 ( -0.988 -3.979 -1.971) 4.550 10.947 ( 0.205 -2.438 0.348) 2.472 10.987 ( -0.002 -2.778 -2.557) 3.776 11.126 ( 0.557 4.197 2.425) 4.879 11.171 ( 1.001 3.243 -1.665) 3.780 11.502 ( -1.268 4.734 2.896) 5.692 11.581 ( 1.826 5.181 0.100) 5.494 13.029 ( -1.956 0.170 2.364) 3.073 13.154 ( -0.545 0.044 -1.169) 1.290 13.175 ( -1.255 -0.151 -2.598) 2.890 13.239 ( 1.405 0.700 -0.241) 1.588 20.089 ( 0.464 -0.218 3.392) 3.430 20.157 ( -0.249 -0.839 -3.686) 3.788 20.565 ( -0.841 1.727 1.328) 2.335 20.612 ( 0.140 2.056 -1.379) 2.480 23.799 ( -0.320 0.543 1.022) 1.201 23.843 ( 0.862 0.375 -0.787) 1.226 24.834 ( 0.087 -0.596 10.834) 10.850 25.070 ( 1.387 -3.141 -6.161) 7.053 25.962 ( 1.051 1.434 0.830) 1.962 25.986 ( -0.241 0.970 -2.430) 2.627 26.290 ( -2.100 0.971 0.677) 2.410 26.446 ( 3.788 -1.012 -0.947) 4.033 27.353 ( -1.594 -4.673 0.683) 4.984 27.388 ( 0.347 -4.905 0.902) 4.999 27.693 ( -2.534 5.556 -1.753) 6.353 27.726 ( 1.503 5.838 2.985) 6.727 28.197 ( -0.447 1.465 -0.227) 1.549 28.226 ( 1.023 1.250 -1.395) 2.134 28.582 ( 2.639 -2.310 7.442) 8.227 28.664 ( -2.735 -3.600 -9.771) 10.766 38.904 ( -1.973 -0.668 -0.125) 2.086 38.962 ( 1.334 -1.495 -0.071) 2.005 39.397 ( -0.395 -0.107 4.235) 4.255 39.459 ( -0.778 -0.443 -2.837) 2.974 73.348 ( -2.875 0.566 -1.561) 3.320 73.432 ( 1.800 0.949 3.124) 3.728 76.314 ( -4.760 8.439 8.063) 12.605 76.883 ( 15.248 -0.059 -8.724) 17.568 ======================= Grid point 164 (82/128) ======================= q-point: (-0.30 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -17.515 -3.228 3.934) 18.240 1.242 ( -16.735 7.060 -5.045) 18.851 1.591 ( 2.123 -8.917 -8.504) 12.503 1.726 ( 2.053 -0.700 -2.415) 3.246 2.105 ( -14.931 -3.221 6.199) 16.484 2.151 ( -2.357 -1.610 -6.023) 6.665 2.211 ( 1.117 1.490 3.627) 4.077 2.307 ( -0.678 -1.433 1.031) 1.891 2.383 ( 0.944 -3.165 0.700) 3.376 2.547 ( 1.837 -4.191 4.357) 6.318 2.851 ( -3.507 6.308 2.740) 7.720 2.901 ( 1.931 7.794 -0.297) 8.036 3.056 ( -0.102 2.042 -3.250) 3.840 3.218 ( -1.408 4.181 -1.998) 4.843 3.299 ( 2.489 0.268 -0.779) 2.622 3.528 ( 5.810 4.326 1.948) 7.500 3.652 ( -2.042 1.287 -2.270) 3.314 3.928 ( 0.361 -5.232 3.756) 6.450 4.050 ( 3.617 3.674 3.950) 6.495 4.298 ( -9.328 -2.659 6.898) 11.903 4.442 ( 11.161 -1.079 -4.715) 12.165 4.542 ( 1.050 -2.906 -4.343) 5.330 4.761 ( 3.309 -6.292 1.535) 7.272 4.826 ( 3.384 -2.976 3.666) 5.809 5.084 ( -3.769 6.752 -0.671) 7.761 5.173 ( -6.738 0.521 4.177) 7.945 5.290 ( 1.051 3.858 5.049) 6.441 5.329 ( -2.362 -0.818 0.210) 2.508 5.386 ( 4.368 -2.571 -2.974) 5.877 5.575 ( 7.673 -3.185 -7.151) 10.962 5.711 ( 3.025 -2.623 -5.365) 6.694 5.808 ( -1.736 -2.461 -7.904) 8.458 6.132 ( 1.018 -0.901 1.999) 2.417 6.168 ( 0.476 -4.237 0.955) 4.369 7.030 ( 4.124 1.490 -1.884) 4.773 7.234 ( 6.717 1.853 1.170) 7.066 8.991 ( 1.289 -1.007 -0.905) 1.870 9.019 ( 2.975 -0.481 -0.785) 3.114 9.141 ( -0.880 0.689 0.924) 1.450 9.303 ( 0.910 -1.124 -0.329) 1.483 9.373 ( -1.179 0.484 0.481) 1.362 9.513 ( 0.294 -3.827 -0.763) 3.913 9.822 ( 1.081 1.760 4.805) 5.230 9.893 ( 3.398 2.939 -4.098) 6.081 10.377 ( -3.181 0.505 4.354) 5.416 10.476 ( -1.440 -2.543 -1.781) 3.423 10.936 ( -0.868 -5.244 -1.409) 5.499 10.967 ( -0.954 -1.272 -1.284) 2.044 11.144 ( 2.216 3.512 -2.010) 4.613 11.236 ( 3.110 3.156 5.623) 7.159 11.509 ( -0.008 5.316 3.088) 6.148 11.609 ( 1.519 5.915 -1.279) 6.239 13.004 ( -2.374 -0.181 1.344) 2.734 13.107 ( -1.970 -0.962 -1.549) 2.685 13.160 ( 0.272 1.979 -0.880) 2.183 13.256 ( 0.374 1.610 0.157) 1.661 20.113 ( 0.059 -0.456 1.225) 1.309 20.140 ( 0.589 0.102 -1.241) 1.378 20.549 ( -1.686 2.490 0.779) 3.106 20.604 ( 0.446 2.422 -1.916) 3.120 23.801 ( -0.324 0.211 1.126) 1.190 23.857 ( 1.233 0.115 -1.100) 1.656 24.942 ( 2.179 -3.616 11.440) 12.194 25.068 ( 2.498 -1.652 -3.400) 4.531 25.945 ( -1.075 1.184 -2.872) 3.287 26.008 ( 2.644 2.422 0.581) 3.632 26.264 ( -1.064 2.047 0.745) 2.424 26.516 ( 4.006 -1.239 -0.690) 4.250 27.327 ( -1.829 -4.556 0.762) 4.968 27.398 ( -0.060 -4.230 1.220) 4.403 27.640 ( -1.470 4.640 -1.862) 5.211 27.763 ( 0.183 4.743 1.461) 4.966 28.186 ( -0.323 1.416 -0.611) 1.576 28.232 ( 0.792 1.118 -2.019) 2.440 28.530 ( -3.552 -2.499 -9.374) 10.331 28.688 ( 2.344 -2.901 8.482) 9.266 38.856 ( -2.732 0.064 -0.306) 2.750 38.985 ( 1.312 -2.342 -0.769) 2.793 39.406 ( -1.235 -1.259 1.256) 2.165 39.436 ( -0.458 -0.528 0.619) 0.933 73.303 ( 0.052 1.742 -2.530) 3.072 73.474 ( -0.587 0.640 4.531) 4.613 76.290 ( -3.458 13.514 7.276) 15.733 77.150 ( 20.351 1.078 -13.457) 24.422 ======================= Grid point 165 (83/128) ======================= q-point: (-0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -17.364 -1.482 9.350) 19.777 0.939 ( -12.333 10.154 3.426) 16.339 1.591 ( 4.381 -9.729 -9.498) 14.285 1.739 ( 1.149 -1.893 -3.387) 4.046 1.863 ( -16.429 6.116 11.907) 21.192 1.968 ( -9.820 -0.235 -5.445) 11.231 2.242 ( -1.660 -5.880 -3.462) 7.023 2.302 ( 2.374 -6.354 0.693) 6.819 2.414 ( 2.082 0.847 0.137) 2.251 2.629 ( 2.409 -2.190 1.876) 3.758 2.793 ( -1.631 4.112 -0.453) 4.447 2.913 ( -0.037 6.341 -0.173) 6.344 3.113 ( 4.926 4.307 0.572) 6.568 3.173 ( -1.640 6.948 -2.038) 7.424 3.349 ( 2.232 1.413 0.979) 2.817 3.586 ( -0.153 3.523 -1.753) 3.939 3.624 ( 1.496 -2.505 -2.128) 3.611 3.904 ( -3.827 -2.439 2.590) 5.225 4.174 ( -4.494 -1.963 2.806) 5.650 4.186 ( 2.468 -1.266 5.723) 6.360 4.558 ( 3.161 -1.959 -1.876) 4.165 4.647 ( 11.811 -3.209 -3.728) 12.795 4.808 ( 0.807 -5.549 -0.547) 5.634 4.895 ( -0.355 -0.731 4.030) 4.111 4.978 ( -8.477 -1.006 0.977) 8.592 5.063 ( -3.918 5.701 1.752) 7.136 5.257 ( -4.408 1.488 -0.564) 4.687 5.340 ( 3.077 2.464 3.871) 5.525 5.462 ( 5.177 0.214 -6.937) 8.658 5.612 ( 0.317 -3.823 -3.163) 4.972 5.690 ( -3.505 -0.813 -2.867) 4.601 5.823 ( 10.989 1.289 -6.074) 12.622 6.140 ( -0.812 -2.564 1.593) 3.126 6.199 ( 0.093 -2.235 1.862) 2.910 7.135 ( 7.708 -1.488 -0.879) 7.899 7.363 ( 5.721 -0.996 0.960) 5.886 9.017 ( 1.989 0.565 -0.239) 2.081 9.077 ( 3.510 -0.046 -0.890) 3.622 9.147 ( 0.740 0.470 1.265) 1.539 9.310 ( -0.398 -1.456 0.561) 1.610 9.355 ( -0.455 0.798 -0.594) 1.094 9.494 ( -1.711 -4.005 -0.887) 4.444 9.871 ( 0.502 1.187 4.072) 4.271 9.944 ( 4.759 2.686 -3.685) 6.591 10.344 ( -2.948 1.763 3.354) 4.801 10.441 ( -1.238 -1.151 -0.680) 1.822 10.903 ( -1.507 -6.511 -1.076) 6.769 10.929 ( -1.465 -1.287 -1.949) 2.757 11.180 ( 3.144 4.057 -2.611) 5.759 11.334 ( 1.643 1.006 6.009) 6.311 11.551 ( 1.465 3.653 2.487) 4.656 11.624 ( 1.846 7.551 -2.352) 8.122 12.960 ( -2.146 0.617 0.543) 2.298 13.079 ( -0.418 -1.094 0.016) 1.171 13.166 ( 0.777 3.344 -0.124) 3.435 13.254 ( -0.721 2.227 0.021) 2.341 20.122 ( 1.094 0.378 -0.591) 1.299 20.147 ( 0.080 0.093 0.485) 0.500 20.515 ( -1.984 3.497 -0.071) 4.021 20.598 ( 0.613 3.111 -3.192) 4.499 23.803 ( -0.407 -0.229 1.332) 1.411 23.872 ( 1.358 -0.266 -1.543) 2.073 25.017 ( 1.273 -3.838 -0.218) 4.050 25.163 ( 4.003 -6.781 8.977) 11.941 25.913 ( 0.054 1.647 -0.984) 1.919 26.087 ( 5.274 3.243 0.820) 6.245 26.268 ( 1.298 4.349 1.223) 4.701 26.577 ( 2.857 -0.978 -1.281) 3.280 27.283 ( -3.455 -4.388 -0.302) 5.593 27.411 ( 0.191 -2.789 2.199) 3.557 27.605 ( -0.984 2.759 -3.518) 4.578 27.722 ( -3.853 3.910 -4.770) 7.272 28.172 ( -0.438 0.749 -1.499) 1.732 28.220 ( 0.193 0.315 -3.781) 3.799 28.454 ( 1.247 0.855 1.397) 2.058 28.787 ( 1.082 -3.445 8.946) 9.647 38.802 ( -2.541 0.620 -0.254) 2.628 38.994 ( 0.477 -3.705 -2.274) 4.373 39.383 ( -0.893 -1.293 -0.947) 1.835 39.429 ( -2.199 -2.281 2.225) 3.871 73.313 ( 2.341 2.058 -1.628) 3.517 73.475 ( -2.055 1.702 3.112) 4.099 76.300 ( 0.073 21.349 5.200) 21.974 77.393 ( 16.903 4.278 -24.151) 29.787 ======================= Grid point 166 (84/128) ======================= q-point: (-0.10 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -10.639 -1.646 15.864) 19.172 0.883 ( -3.071 11.881 16.211) 20.332 1.582 ( -6.550 5.682 11.574) 14.462 1.682 ( 0.811 -0.414 -8.395) 8.444 1.751 ( -6.006 -3.054 -9.415) 11.578 1.773 ( 1.050 -3.168 1.020) 3.490 2.105 ( -6.751 -5.217 -6.123) 10.502 2.392 ( 2.837 -7.561 2.425) 8.432 2.461 ( 2.838 1.793 -0.544) 3.401 2.622 ( -1.905 1.711 -5.492) 6.059 2.809 ( 4.619 2.376 -2.262) 5.665 2.916 ( 0.086 5.642 1.909) 5.956 3.100 ( -3.495 4.885 -1.749) 6.256 3.201 ( 1.103 1.739 0.421) 2.102 3.377 ( -2.349 5.306 4.555) 7.377 3.544 ( -1.420 -0.327 -3.404) 3.703 3.660 ( 5.412 -0.677 -4.131) 6.842 3.879 ( -0.194 0.613 1.422) 1.560 4.057 ( -5.419 1.074 1.931) 5.852 4.286 ( 1.089 -5.871 1.554) 6.171 4.593 ( -0.978 -3.440 1.540) 3.894 4.745 ( -2.124 -2.263 0.427) 3.133 4.781 ( -0.909 -4.125 -1.695) 4.551 4.866 ( 0.632 1.449 0.885) 1.812 4.897 ( -2.310 1.255 3.312) 4.229 5.055 ( 0.732 0.954 0.861) 1.479 5.186 ( -0.230 2.024 -2.252) 3.037 5.440 ( 1.422 11.512 -7.229) 13.667 5.482 ( 3.354 -2.498 2.504) 4.874 5.592 ( -2.756 -0.293 -2.251) 3.570 5.679 ( 7.033 -2.950 4.400) 8.805 6.001 ( 9.917 -1.961 -3.637) 10.743 6.125 ( -2.255 -2.822 1.499) 3.911 6.169 ( -4.456 -1.436 1.667) 4.970 7.289 ( 7.858 -3.315 0.265) 8.532 7.450 ( 2.565 -4.693 0.304) 5.357 9.062 ( 2.354 1.769 0.805) 3.053 9.131 ( 2.522 -0.088 -0.616) 2.598 9.186 ( 2.160 0.027 1.443) 2.598 9.296 ( -1.699 -1.507 1.808) 2.903 9.350 ( 0.620 0.786 -1.801) 2.060 9.439 ( -2.990 -3.314 -1.049) 4.585 9.899 ( -0.233 0.409 3.049) 3.085 10.004 ( 3.767 1.098 -3.833) 5.485 10.332 ( 0.162 3.636 2.075) 4.189 10.417 ( -1.320 -0.192 0.592) 1.460 10.861 ( -2.913 -6.906 0.784) 7.536 10.899 ( 0.480 -1.870 -2.889) 3.474 11.228 ( 3.720 4.936 -1.567) 6.376 11.377 ( -0.751 1.145 3.948) 4.179 11.559 ( -0.654 2.844 -1.281) 3.187 11.616 ( -2.253 7.154 -4.991) 9.009 12.966 ( 1.730 -0.309 2.660) 3.188 13.089 ( 1.157 -0.682 1.065) 1.714 13.180 ( 0.969 4.229 -1.649) 4.641 13.227 ( -1.832 1.897 -0.547) 2.694 20.133 ( -1.310 0.030 2.383) 2.719 20.162 ( 3.059 0.968 -2.981) 4.380 20.480 ( -1.180 4.712 -0.892) 4.939 20.565 ( -1.351 4.076 -4.773) 6.421 23.805 ( -0.557 -0.558 1.547) 1.736 23.883 ( 1.032 -0.742 -1.932) 2.312 25.035 ( 1.272 -2.972 -0.302) 3.247 25.215 ( -4.813 -10.482 2.936) 11.902 25.959 ( 3.680 -0.363 3.176) 4.874 26.182 ( 2.235 -0.669 1.156) 2.603 26.364 ( 7.701 7.646 -0.686) 10.873 26.594 ( 0.246 -0.474 -2.816) 2.866 27.186 ( -5.354 -1.113 -0.569) 5.498 27.429 ( -0.953 0.482 0.635) 1.243 27.476 ( -5.905 4.731 -5.882) 9.584 27.644 ( -0.024 1.241 -2.740) 3.008 28.157 ( 0.017 0.214 -0.899) 0.924 28.199 ( 0.535 -0.605 -3.607) 3.696 28.638 ( 13.118 -1.682 8.696) 15.828 28.847 ( -1.784 -3.777 8.530) 9.498 38.765 ( -1.063 0.676 0.218) 1.279 38.946 ( -4.061 -4.829 -3.408) 7.171 39.348 ( -4.332 -2.068 2.477) 5.401 39.390 ( -0.298 -0.698 -2.220) 2.347 73.341 ( -0.840 1.369 2.582) 3.041 73.463 ( 1.536 3.628 -2.579) 4.708 76.378 ( 6.270 30.056 -0.476) 30.707 77.325 ( -3.639 12.107 -32.898) 35.243 ======================= Grid point 167 (85/128) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -1.678 7.649 6.474) 10.161 1.136 ( -1.539 3.972 -2.093) 4.746 1.366 ( 4.192 -10.533 -4.850) 12.331 1.546 ( 1.269 -10.673 -5.569) 12.105 1.782 ( 0.527 3.577 -7.754) 8.555 1.859 ( 2.155 5.167 -9.389) 10.932 2.090 ( 1.897 8.559 16.060) 18.297 2.263 ( -0.944 -9.476 3.159) 10.033 2.448 ( -2.319 -0.024 2.097) 3.127 2.581 ( -1.213 -1.304 -1.236) 2.168 2.947 ( -4.697 5.424 4.708) 8.582 3.030 ( 1.262 2.430 3.453) 4.407 3.144 ( 1.668 5.600 -1.944) 6.158 3.199 ( 1.221 2.322 -4.375) 5.101 3.436 ( -4.165 5.103 0.324) 6.595 3.487 ( 2.580 0.023 -2.137) 3.350 3.842 ( 2.544 -1.060 0.249) 2.767 3.874 ( 0.234 -0.208 0.889) 0.942 4.051 ( -1.071 -1.032 2.370) 2.799 4.171 ( 3.963 -0.939 -2.164) 4.612 4.480 ( -5.835 -0.816 4.662) 7.513 4.626 ( 1.462 -6.227 -4.572) 7.863 4.771 ( -8.227 2.539 4.624) 9.773 4.917 ( -10.363 -1.013 7.529) 12.849 5.032 ( 11.213 3.738 -3.134) 12.228 5.054 ( 7.814 2.567 -3.106) 8.792 5.270 ( 4.304 1.101 0.779) 4.510 5.422 ( -1.898 -2.739 -2.203) 3.994 5.529 ( -1.515 1.724 1.343) 2.659 5.624 ( 1.313 3.300 -3.275) 4.831 5.769 ( 2.799 -2.134 -0.189) 3.525 5.936 ( -2.485 -4.777 -4.407) 6.958 6.052 ( -5.225 0.646 1.198) 5.399 6.111 ( 2.910 -2.943 -1.523) 4.410 7.301 ( -0.933 -3.716 0.184) 3.836 7.335 ( 2.350 -5.612 -1.099) 6.183 9.138 ( -0.043 1.831 0.765) 1.985 9.157 ( 0.209 0.539 -0.138) 0.594 9.220 ( -0.573 -0.465 2.658) 2.758 9.254 ( -0.806 -1.675 2.343) 2.991 9.343 ( 0.521 -0.027 -2.896) 2.942 9.365 ( 0.762 -0.719 -2.403) 2.621 9.931 ( -1.736 2.424 2.618) 3.968 10.006 ( -0.250 -0.655 -1.130) 1.330 10.376 ( -1.906 -0.601 2.079) 2.884 10.408 ( 2.307 -2.222 0.593) 3.258 10.777 ( -0.330 0.979 0.815) 1.316 10.848 ( 1.062 -2.202 -2.231) 3.310 11.382 ( -2.149 4.294 0.548) 4.833 11.426 ( 3.680 2.823 -0.998) 4.744 11.597 ( -1.781 3.197 0.345) 3.676 11.644 ( -1.170 2.579 -1.995) 3.464 13.029 ( 2.100 1.167 3.226) 4.023 13.103 ( 1.092 -1.457 1.397) 2.296 13.201 ( -2.133 0.658 -1.701) 2.807 13.207 ( -1.337 0.660 -3.868) 4.146 20.129 ( -1.418 0.880 1.602) 2.313 20.182 ( 1.062 -1.575 -0.711) 2.028 20.580 ( 1.725 4.183 -3.418) 5.671 20.592 ( -0.849 3.681 -4.298) 5.722 23.801 ( -0.461 0.333 1.125) 1.260 23.850 ( -0.156 -1.689 -0.938) 1.938 24.965 ( -4.408 0.058 5.813) 7.296 25.066 ( 0.639 -3.113 -0.190) 3.183 26.072 ( 2.555 1.567 4.244) 5.196 26.155 ( -1.098 -1.756 1.467) 2.538 26.489 ( -0.381 1.969 -3.671) 4.183 26.536 ( -1.670 -0.598 -4.196) 4.555 27.248 ( 0.253 4.524 3.731) 5.869 27.410 ( -1.067 -1.939 2.897) 3.645 27.483 ( 0.583 5.160 -6.875) 8.616 27.623 ( 1.291 -1.284 -4.859) 5.189 28.155 ( 0.155 0.031 -0.841) 0.856 28.168 ( 0.320 -0.747 -2.292) 2.432 28.756 ( -3.039 -3.217 5.220) 6.843 28.795 ( 6.470 -5.980 4.250) 9.782 38.769 ( -1.309 0.446 1.637) 2.143 38.797 ( -1.770 -0.678 0.592) 1.985 39.307 ( -1.092 1.234 1.254) 2.071 39.372 ( 1.539 -1.484 -1.690) 2.725 73.383 ( -2.449 3.643 3.977) 5.923 73.505 ( 1.624 -1.537 -0.716) 2.348 77.080 ( 7.872 19.530 -11.734) 24.106 77.260 ( -10.094 13.105 -20.480) 26.326 ======================= Grid point 168 (86/128) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 6.105 1.567 8.709) 10.750 1.130 ( 4.323 2.123 -4.383) 6.513 1.389 ( 2.690 -11.215 -3.067) 11.933 1.622 ( 8.801 -10.958 -2.861) 14.343 1.708 ( -1.026 5.139 -7.816) 9.410 1.857 ( 3.140 5.548 -8.241) 10.419 2.200 ( -4.256 -6.783 3.763) 8.848 2.267 ( 2.539 -0.805 6.025) 6.588 2.433 ( -1.367 3.481 6.077) 7.135 2.559 ( 0.081 1.194 -1.100) 1.625 2.895 ( -3.311 8.766 2.617) 9.729 3.074 ( 1.395 -1.434 4.014) 4.485 3.164 ( 0.349 3.456 -2.405) 4.225 3.233 ( 4.948 5.654 -4.077) 8.548 3.383 ( -1.343 4.991 1.016) 5.267 3.548 ( 3.515 0.416 0.583) 3.587 3.764 ( -5.134 -1.004 -1.650) 5.486 3.936 ( 1.403 -1.659 1.415) 2.593 4.042 ( -0.154 4.262 0.492) 4.293 4.250 ( 2.458 1.791 -1.152) 3.252 4.417 ( -3.138 -3.086 5.084) 6.724 4.611 ( -1.338 -9.596 -2.132) 9.921 4.657 ( -4.708 0.828 0.974) 4.879 4.786 ( -5.432 -1.835 3.444) 6.689 5.202 ( 7.098 2.504 2.338) 7.882 5.237 ( 10.006 2.808 -3.248) 10.888 5.293 ( -5.288 3.777 -7.790) 10.145 5.338 ( 0.835 1.777 2.752) 3.381 5.504 ( -2.176 0.522 0.034) 2.238 5.618 ( -0.085 1.815 -0.704) 1.948 5.756 ( -6.431 -4.700 1.911) 8.192 5.813 ( -4.903 -3.518 -6.829) 9.113 6.012 ( 0.998 -1.593 2.176) 2.876 6.144 ( 0.749 -5.246 -0.200) 5.303 7.232 ( -4.580 -1.389 -0.511) 4.813 7.366 ( 0.331 -5.646 -0.871) 5.723 9.109 ( -3.187 1.555 0.435) 3.573 9.135 ( -2.432 0.708 -0.259) 2.546 9.223 ( -0.885 -0.704 2.429) 2.679 9.245 ( -1.168 -1.267 0.778) 1.891 9.355 ( 2.013 -0.534 -1.392) 2.505 9.369 ( 1.471 -0.567 -2.146) 2.663 9.906 ( -2.868 2.608 2.637) 4.689 9.987 ( -0.955 -0.689 -0.338) 1.225 10.364 ( -0.426 -0.138 1.251) 1.329 10.441 ( 0.444 -2.733 0.520) 2.817 10.801 ( 2.371 1.507 0.327) 2.829 10.860 ( 1.712 -2.090 -2.171) 3.466 11.298 ( -5.060 7.630 -0.625) 9.176 11.480 ( 1.311 0.989 -0.189) 1.654 11.574 ( -0.977 4.332 1.859) 4.815 11.646 ( 1.654 1.129 -0.571) 2.082 13.076 ( -1.106 1.391 -1.276) 2.187 13.099 ( 0.628 0.788 2.947) 3.115 13.154 ( -0.971 -0.341 -2.937) 3.112 13.206 ( 1.850 -1.186 1.001) 2.415 20.107 ( -1.911 1.566 1.323) 2.802 20.190 ( 0.318 -2.497 -0.500) 2.567 20.557 ( 0.188 5.031 -2.460) 5.603 20.600 ( 2.264 3.022 -2.506) 4.532 23.802 ( -0.383 0.262 1.327) 1.406 23.840 ( -0.174 -1.463 -0.637) 1.605 24.915 ( -4.676 3.032 5.532) 7.852 25.093 ( 1.528 -4.840 0.950) 5.164 26.084 ( -4.014 1.661 -0.252) 4.351 26.141 ( -0.619 -0.728 2.366) 2.552 26.463 ( -1.204 0.708 -0.684) 1.555 26.476 ( -1.026 0.174 -2.427) 2.641 27.239 ( -2.103 3.419 1.418) 4.257 27.395 ( -2.543 -2.568 2.570) 4.435 27.505 ( 4.994 5.030 -3.964) 8.121 27.638 ( 3.311 -0.823 -3.569) 4.937 28.155 ( 0.381 -0.049 -0.683) 0.783 28.162 ( 0.586 -0.481 -1.670) 1.834 28.707 ( -4.585 0.056 2.212) 5.091 28.901 ( 2.419 -9.239 0.655) 9.573 38.762 ( 0.173 1.206 1.521) 1.949 38.810 ( 1.293 -0.936 1.648) 2.295 39.308 ( 0.233 1.876 0.909) 2.098 39.402 ( 2.640 -2.228 -1.290) 3.688 73.359 ( -2.644 4.982 3.138) 6.454 73.533 ( 1.451 -2.687 -0.141) 3.057 76.923 ( -12.340 19.376 -8.121) 24.365 77.084 ( 0.107 11.648 -8.021) 14.143 ======================= Grid point 169 (87/128) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 10.818 -0.368 4.744) 11.819 1.229 ( 9.849 0.128 -7.350) 12.290 1.455 ( 6.749 -7.979 -5.168) 11.658 1.683 ( 3.000 6.993 -0.669) 7.639 1.780 ( 7.229 -1.948 -3.393) 8.220 1.861 ( 4.458 -4.001 -2.198) 6.380 2.131 ( -3.601 -8.600 -0.130) 9.325 2.279 ( -1.538 -6.732 0.327) 6.914 2.503 ( 1.125 5.032 7.400) 9.019 2.590 ( 2.283 4.147 2.271) 5.250 2.863 ( -0.924 11.200 0.693) 11.259 3.114 ( -1.010 0.400 -0.052) 1.088 3.154 ( 1.955 -0.752 -1.588) 2.628 3.257 ( -0.556 4.424 -2.232) 4.987 3.381 ( -1.618 2.235 2.863) 3.976 3.586 ( -0.175 -0.778 -0.371) 0.880 3.680 ( -2.275 6.055 0.036) 6.469 3.974 ( 2.503 -4.949 0.879) 5.615 4.043 ( -1.125 5.191 1.758) 5.595 4.231 ( -3.118 4.674 3.238) 6.485 4.419 ( -1.295 -5.738 1.427) 6.053 4.542 ( -2.328 -8.461 -1.055) 8.839 4.611 ( -0.896 1.976 -2.447) 3.270 4.800 ( 4.270 -6.204 0.189) 7.533 5.116 ( -6.213 5.501 -3.422) 8.976 5.275 ( -2.927 4.744 1.917) 5.895 5.347 ( 0.140 3.172 2.682) 4.156 5.377 ( -1.559 -3.708 -0.384) 4.041 5.448 ( -0.347 -0.348 -0.967) 1.085 5.551 ( -4.999 -3.892 -1.611) 6.537 5.671 ( -1.047 1.141 -0.660) 1.683 5.716 ( 0.621 -1.297 -5.232) 5.426 6.068 ( 2.199 -4.312 1.674) 5.121 6.134 ( -1.756 -5.292 0.466) 5.596 7.142 ( -4.013 2.275 -0.683) 4.664 7.336 ( -2.666 -4.203 -0.688) 5.024 9.038 ( -4.055 1.142 0.063) 4.213 9.073 ( -3.442 0.217 -0.443) 3.477 9.222 ( -0.450 -0.662 0.919) 1.219 9.229 ( -0.978 -0.677 0.512) 1.295 9.379 ( 1.557 -0.751 -1.047) 2.021 9.391 ( 1.570 -0.810 -0.735) 1.913 9.867 ( -2.956 3.037 2.350) 4.846 9.968 ( -0.895 -1.087 -0.031) 1.408 10.380 ( 1.208 -0.535 0.766) 1.528 10.437 ( -0.884 -0.967 0.254) 1.335 10.856 ( 2.722 0.625 0.123) 2.796 10.878 ( 1.765 -1.666 -2.062) 3.184 11.212 ( -3.518 7.909 0.082) 8.656 11.465 ( -1.766 -1.585 -1.262) 2.688 11.591 ( 0.113 5.033 3.439) 6.097 11.662 ( -0.258 0.853 0.151) 0.904 13.048 ( 0.731 1.311 -2.279) 2.729 13.128 ( 0.679 -1.340 -3.246) 3.576 13.134 ( -0.411 2.377 3.774) 4.479 13.247 ( 1.003 -1.320 1.570) 2.283 20.080 ( -1.733 2.059 1.196) 2.945 20.189 ( -0.062 -3.197 -0.513) 3.238 20.560 ( 1.006 4.731 -0.619) 4.876 20.624 ( 1.778 2.143 -1.759) 3.294 23.806 ( -0.310 0.380 1.436) 1.518 23.835 ( -0.016 -1.028 -0.309) 1.073 24.872 ( -4.018 4.395 5.192) 7.901 25.119 ( 0.040 -7.053 0.860) 7.105 26.000 ( -3.205 2.709 -1.359) 4.411 26.118 ( -2.772 -1.445 0.824) 3.233 26.412 ( -1.853 1.581 -2.419) 3.433 26.465 ( -1.328 -0.634 1.216) 1.909 27.230 ( 0.478 1.273 0.725) 1.541 27.358 ( -2.490 -3.802 1.354) 4.742 27.587 ( 5.077 4.736 -0.952) 7.008 27.689 ( 3.898 0.248 -1.305) 4.118 28.158 ( 0.585 0.100 -0.792) 0.990 28.168 ( 1.004 -0.201 -0.771) 1.282 28.625 ( -4.482 3.331 -0.328) 5.594 28.903 ( -1.231 -8.891 -1.858) 9.167 38.795 ( 2.003 1.014 1.015) 2.464 38.851 ( 1.445 -1.612 1.936) 2.904 39.326 ( 0.889 2.347 0.861) 2.653 39.445 ( 2.529 -2.908 -0.922) 3.963 73.334 ( -1.880 5.822 2.145) 6.483 73.552 ( 0.371 -3.909 0.314) 3.940 76.698 ( -8.886 16.468 1.006) 18.739 76.980 ( -6.012 5.707 -3.769) 9.106 ======================= Grid point 170 (88/128) ======================= q-point: ( 0.30 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 11.414 2.434 0.048) 11.670 1.381 ( 11.697 -0.047 -7.285) 13.780 1.538 ( 7.800 0.735 -9.432) 12.262 1.793 ( 8.356 -0.841 -3.755) 9.199 1.875 ( 4.553 6.063 5.500) 9.367 2.001 ( 5.944 -9.577 3.118) 11.695 2.084 ( 1.275 -6.546 -1.996) 6.961 2.284 ( 0.382 -7.804 4.849) 9.195 2.522 ( -3.155 4.249 1.602) 5.530 2.616 ( -2.297 2.294 0.289) 3.259 2.886 ( 2.067 9.145 2.520) 9.708 3.076 ( -1.249 0.338 -1.642) 2.090 3.148 ( -2.595 1.182 -2.233) 3.622 3.206 ( -1.688 5.431 -1.018) 5.777 3.355 ( -1.905 2.206 1.811) 3.432 3.558 ( -2.356 -3.122 0.605) 3.958 3.662 ( -0.814 4.281 0.537) 4.390 4.020 ( 1.283 -7.672 -0.871) 7.827 4.039 ( 0.037 4.284 1.835) 4.660 4.204 ( -4.534 2.866 7.075) 8.879 4.363 ( -2.657 -2.671 -1.251) 3.970 4.536 ( -0.900 -4.703 0.400) 4.805 4.604 ( 4.978 1.904 -5.077) 7.360 4.857 ( -0.492 -4.619 0.284) 4.654 5.035 ( -1.534 1.330 0.710) 2.151 5.183 ( -8.434 -4.123 -2.851) 9.811 5.212 ( -6.374 3.806 3.859) 8.367 5.326 ( -3.735 -2.345 -0.114) 4.412 5.453 ( 1.251 2.468 1.584) 3.188 5.550 ( 2.941 -2.834 -3.298) 5.249 5.645 ( -2.169 1.422 0.607) 2.664 5.743 ( 4.378 -2.609 -4.114) 6.549 6.085 ( -2.268 -3.151 0.247) 3.891 6.112 ( 0.285 -4.396 0.998) 4.517 7.081 ( -1.721 5.083 -0.548) 5.394 7.267 ( -3.700 -1.793 -0.705) 4.171 8.969 ( -2.952 0.333 -0.081) 2.972 9.009 ( -2.747 -0.662 -0.573) 2.883 9.215 ( -0.501 -0.566 -0.087) 0.761 9.221 ( -0.314 -0.881 0.672) 1.152 9.402 ( 1.047 -0.717 -0.062) 1.271 9.408 ( 0.946 -0.236 -0.805) 1.264 9.832 ( -2.265 3.509 1.901) 4.589 9.951 ( -0.840 -1.426 -0.401) 1.703 10.413 ( 1.354 -1.188 0.628) 1.908 10.420 ( -0.683 0.199 -0.083) 0.716 10.892 ( 1.385 -1.462 -0.634) 2.112 10.903 ( 1.744 -0.425 -0.607) 1.895 11.165 ( -1.841 6.292 0.513) 6.576 11.407 ( -2.928 -2.808 -2.298) 4.663 11.611 ( -0.619 4.318 2.757) 5.160 11.646 ( -1.585 3.243 1.660) 3.973 13.071 ( 2.658 0.795 -1.214) 3.028 13.126 ( 0.548 -1.356 -1.391) 2.019 13.142 ( -0.124 2.902 0.924) 3.048 13.260 ( -0.532 -1.426 0.898) 1.767 20.062 ( -1.117 2.131 1.325) 2.747 20.181 ( -0.326 -3.508 -0.764) 3.605 20.578 ( 0.944 3.810 0.252) 3.933 20.640 ( 1.089 1.474 -1.381) 2.295 23.810 ( -0.279 0.644 1.381) 1.550 23.835 ( 0.139 -0.501 -0.029) 0.521 24.836 ( -3.572 4.160 4.848) 7.319 25.098 ( -2.090 -7.854 -0.923) 8.179 25.955 ( -0.836 2.935 -0.381) 3.076 26.069 ( -2.321 -0.849 -0.100) 2.473 26.369 ( -0.770 1.397 -2.230) 2.741 26.433 ( -2.519 -1.039 0.523) 2.774 27.256 ( 1.202 -0.949 0.890) 1.771 27.326 ( -1.521 -3.731 0.550) 4.067 27.670 ( 3.574 4.531 0.750) 5.820 27.766 ( 4.082 0.566 0.724) 4.184 28.168 ( 0.913 0.510 -0.189) 1.063 28.189 ( 1.467 -0.157 0.086) 1.478 28.542 ( -3.305 5.083 -1.640) 6.281 28.844 ( -2.582 -7.705 -3.638) 8.903 38.841 ( 2.007 0.309 0.770) 2.171 38.887 ( 0.920 -1.800 1.515) 2.526 39.351 ( 1.022 2.549 0.982) 2.917 39.477 ( 1.410 -2.965 -0.989) 3.429 73.324 ( -0.404 5.589 1.484) 5.797 73.545 ( -1.458 -4.209 0.317) 4.465 76.580 ( -6.174 11.197 4.817) 13.663 76.826 ( -7.103 2.217 -2.289) 7.785 ======================= Grid point 171 (89/128) ======================= q-point: ( 0.40 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 8.122 3.558 -0.847) 8.908 1.550 ( 9.918 -2.659 -7.558) 12.750 1.650 ( 10.561 5.263 -4.609) 12.668 1.882 ( 5.362 -0.251 -5.730) 7.852 1.982 ( 1.064 3.684 3.682) 5.316 2.097 ( 2.067 -0.151 2.256) 3.063 2.160 ( 3.142 -7.394 3.631) 8.816 2.354 ( 1.882 -5.137 5.000) 7.412 2.426 ( -5.923 -0.272 0.758) 5.977 2.496 ( -6.557 -2.730 -5.051) 8.715 2.942 ( 0.766 4.990 2.291) 5.544 3.045 ( -2.991 -0.376 0.240) 3.024 3.102 ( 1.229 8.806 1.394) 9.000 3.191 ( 0.150 6.749 0.449) 6.766 3.340 ( 0.099 -0.669 -2.597) 2.684 3.511 ( -2.673 -4.562 0.368) 5.301 3.650 ( -0.550 1.555 1.101) 1.983 3.992 ( -2.757 -7.423 -2.863) 8.421 4.082 ( 3.216 3.970 0.483) 5.132 4.139 ( -4.925 2.511 3.655) 6.628 4.354 ( 0.977 -0.479 1.804) 2.106 4.516 ( -1.557 -3.410 1.235) 3.947 4.680 ( 4.796 0.255 -2.631) 5.477 4.797 ( -6.555 -0.424 2.970) 7.208 4.951 ( -8.160 -3.913 2.145) 9.300 5.035 ( -2.173 -7.127 -5.277) 9.131 5.210 ( 3.208 4.413 3.856) 6.681 5.340 ( 4.159 -2.899 -1.113) 5.190 5.478 ( 0.856 1.758 -0.886) 2.146 5.558 ( -0.428 -1.935 -0.100) 1.985 5.601 ( -2.829 3.258 0.220) 4.320 5.782 ( 2.490 -4.830 -4.172) 6.851 6.044 ( -2.344 -2.144 1.797) 3.649 6.115 ( -0.349 -3.884 -0.303) 3.911 7.070 ( 0.832 5.897 -0.347) 5.965 7.193 ( -3.327 0.856 -0.939) 3.561 8.930 ( -1.094 -0.647 -0.041) 1.271 8.963 ( -1.610 -1.550 -0.612) 2.317 9.208 ( -0.812 -0.372 1.239) 1.527 9.222 ( 0.609 -1.227 -0.893) 1.635 9.406 ( -0.282 0.027 0.241) 0.373 9.426 ( 1.245 -0.316 -0.847) 1.539 9.810 ( -1.315 3.726 1.654) 4.283 9.930 ( -0.714 -1.220 -1.296) 1.917 10.405 ( -0.730 0.942 0.486) 1.287 10.441 ( 0.976 -2.666 0.004) 2.839 10.911 ( 1.298 -1.366 -1.078) 2.170 10.926 ( 0.738 -1.006 0.652) 1.408 11.147 ( -0.460 4.744 0.688) 4.816 11.326 ( -3.165 -2.023 -3.241) 4.961 11.613 ( -0.725 4.314 2.433) 5.005 11.636 ( -1.117 4.277 2.415) 5.037 13.100 ( -1.120 1.594 1.798) 2.651 13.135 ( 2.255 -0.349 -0.373) 2.312 13.155 ( 1.906 0.809 -2.505) 3.250 13.243 ( -1.432 -1.588 -0.201) 2.148 20.058 ( -0.407 1.764 1.641) 2.443 20.165 ( -0.503 -3.233 -1.195) 3.484 20.596 ( 0.581 2.897 0.509) 2.998 20.647 ( 0.690 1.030 -1.279) 1.781 23.815 ( -0.284 0.913 1.277) 1.596 23.839 ( 0.190 -0.054 0.112) 0.227 24.810 ( -2.745 3.221 4.794) 6.395 25.041 ( -2.081 -7.063 -2.729) 7.853 25.955 ( 0.403 2.597 0.707) 2.722 26.035 ( -1.125 -0.232 -0.316) 1.191 26.351 ( 0.168 0.379 -1.378) 1.439 26.388 ( -1.806 -0.719 -0.695) 2.065 27.279 ( 0.599 -2.167 0.611) 2.330 27.307 ( -0.944 -3.360 0.386) 3.512 27.736 ( 2.504 4.903 1.565) 5.724 27.832 ( 1.722 0.994 0.731) 2.119 28.190 ( 1.186 0.934 0.589) 1.620 28.227 ( 1.903 0.090 1.473) 2.408 28.482 ( -1.683 4.370 -1.454) 4.903 28.761 ( -2.644 -6.768 -5.162) 8.913 38.879 ( 1.304 -0.406 0.755) 1.561 38.907 ( 0.299 -1.649 0.889) 1.897 39.377 ( 0.731 2.297 1.253) 2.717 39.484 ( 0.258 -2.380 -1.375) 2.761 73.341 ( 1.020 4.128 1.528) 4.518 73.503 ( -2.961 -3.001 -0.028) 4.216 76.522 ( -4.362 7.706 6.075) 10.738 76.707 ( -2.481 0.187 -3.388) 4.204 ======================= Grid point 172 (90/128) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.791 0.633 -1.123) 1.513 1.596 ( 0.614 -4.291 -6.928) 8.172 1.866 ( 11.806 5.274 0.973) 12.967 1.903 ( -6.050 7.167 -1.990) 9.588 1.988 ( -2.261 1.290 -0.786) 2.719 2.017 ( -1.600 1.353 -2.061) 2.939 2.236 ( 1.574 -4.580 3.701) 6.095 2.295 ( -6.166 -3.660 0.357) 7.179 2.387 ( -2.295 -4.236 2.367) 5.368 2.451 ( 1.703 -7.125 0.238) 7.330 2.941 ( -1.775 4.835 1.747) 5.439 3.000 ( -0.042 1.878 -1.014) 2.134 3.163 ( 1.686 6.479 1.480) 6.856 3.241 ( 3.437 5.439 4.329) 7.755 3.334 ( 2.284 -0.616 -3.842) 4.512 3.450 ( -1.954 3.013 -4.018) 5.389 3.683 ( 1.630 -3.138 4.609) 5.809 3.888 ( -4.664 -5.834 -5.068) 9.026 4.075 ( -2.301 5.524 3.044) 6.714 4.194 ( 7.185 2.531 -2.607) 8.051 4.399 ( 0.863 -1.460 3.949) 4.298 4.482 ( -3.122 -6.302 2.052) 7.326 4.655 ( -9.362 -1.689 2.470) 9.829 4.713 ( -2.875 -0.973 3.399) 4.557 4.895 ( 4.634 -3.805 -1.202) 6.115 5.042 ( 6.328 -5.615 -5.928) 10.330 5.313 ( 3.029 3.887 3.897) 6.283 5.406 ( 1.794 0.313 -1.605) 2.427 5.474 ( 0.732 -1.112 -1.662) 2.130 5.534 ( -1.982 4.264 -3.205) 5.691 5.560 ( -0.994 -0.705 3.850) 4.038 5.778 ( 0.755 -6.477 -4.951) 8.188 6.027 ( -1.304 -2.091 3.144) 3.995 6.101 ( -0.770 -4.179 -0.467) 4.275 7.102 ( 2.126 4.759 -0.007) 5.213 7.134 ( -1.558 3.019 -1.362) 3.660 8.926 ( 0.614 -1.350 0.001) 1.483 8.939 ( -0.321 -1.886 -0.636) 2.016 9.199 ( -1.062 0.321 1.000) 1.493 9.233 ( 1.109 -1.493 -0.705) 1.989 9.401 ( -0.360 0.356 0.150) 0.528 9.439 ( 0.756 -0.992 -0.839) 1.503 9.809 ( -0.224 3.587 1.965) 4.096 9.909 ( 0.040 -0.480 -2.075) 2.130 10.398 ( -0.709 0.316 1.209) 1.436 10.448 ( -0.096 -3.193 -0.407) 3.220 10.926 ( 0.712 -0.357 -0.100) 0.802 10.940 ( 0.609 -1.545 -0.597) 1.765 11.159 ( 0.891 3.324 1.436) 3.729 11.251 ( -2.047 -0.113 -3.184) 3.787 11.617 ( -1.155 4.807 2.777) 5.671 11.645 ( 0.751 3.720 1.519) 4.088 13.077 ( -2.391 1.931 2.167) 3.761 13.166 ( 0.145 -0.475 -0.712) 0.868 13.178 ( 1.641 -0.306 -0.991) 1.941 13.218 ( 0.564 -0.819 -1.706) 1.974 20.069 ( 0.156 1.090 1.996) 2.280 20.146 ( -0.357 -2.403 -1.585) 2.900 20.607 ( 0.238 2.374 0.508) 2.439 20.649 ( 0.545 0.890 -1.369) 1.722 23.817 ( -0.396 1.061 1.182) 1.637 23.843 ( 0.207 0.125 0.100) 0.261 24.807 ( -1.381 2.233 5.267) 5.885 24.994 ( -0.222 -5.889 -3.469) 6.838 25.973 ( 0.643 2.009 1.162) 2.408 26.017 ( -0.465 0.207 -0.551) 0.750 26.337 ( -1.133 0.518 -0.241) 1.269 26.377 ( 1.803 -0.973 -1.883) 2.783 27.289 ( -0.127 -2.773 0.597) 2.840 27.294 ( -0.561 -2.967 0.368) 3.042 27.789 ( 1.622 4.568 1.998) 5.243 27.839 ( -0.900 2.564 -0.424) 2.750 28.219 ( 1.127 1.692 1.207) 2.364 28.267 ( 0.872 1.659 0.507) 1.942 28.467 ( 0.472 0.577 1.525) 1.697 28.669 ( -2.545 -6.116 -6.547) 9.314 38.899 ( 0.072 -0.904 0.802) 1.211 38.914 ( 0.203 -1.382 0.345) 1.439 39.396 ( 0.100 1.615 1.693) 2.343 39.470 ( -0.454 -1.566 -1.733) 2.380 73.379 ( 1.025 1.973 2.362) 3.244 73.443 ( -2.596 -0.796 -0.591) 2.779 76.500 ( -2.075 7.634 5.265) 9.503 76.706 ( 5.558 -1.584 -4.332) 7.222 ======================= Grid point 173 (91/128) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -12.514 -2.004 0.691) 12.692 1.485 ( -6.500 -7.970 -5.574) 11.698 1.714 ( -12.924 5.190 -5.774) 15.077 1.766 ( -6.061 2.038 -1.485) 6.565 2.067 ( 5.830 1.680 2.021) 6.395 2.159 ( 1.426 -2.511 5.244) 5.987 2.193 ( -1.729 -1.777 0.801) 2.605 2.277 ( 2.449 -1.318 -0.348) 2.803 2.341 ( -3.493 -1.603 1.320) 4.063 2.466 ( 0.158 -3.458 0.316) 3.475 2.943 ( 0.360 4.190 2.473) 4.879 3.019 ( 1.838 4.646 -0.223) 5.001 3.208 ( 1.107 1.042 1.151) 1.907 3.266 ( -3.756 7.245 -1.433) 8.285 3.306 ( 2.031 0.277 -4.296) 4.760 3.513 ( 7.443 5.760 0.715) 9.438 3.741 ( -1.063 -7.930 4.104) 8.992 3.765 ( -3.062 -0.827 -2.279) 3.906 4.086 ( 1.143 5.708 2.247) 6.240 4.310 ( 6.419 0.520 -4.170) 7.672 4.371 ( -5.891 -0.375 4.652) 7.515 4.498 ( 2.564 -5.818 2.522) 6.840 4.534 ( -2.133 -2.450 -1.426) 3.547 4.683 ( -1.820 -5.387 4.244) 7.096 5.055 ( 11.073 -3.102 -2.009) 11.673 5.135 ( 5.372 -4.568 -4.238) 8.227 5.337 ( -1.405 6.513 -0.860) 6.718 5.380 ( -1.912 3.046 2.775) 4.542 5.468 ( -1.312 1.687 -1.677) 2.716 5.489 ( -0.808 0.387 -2.536) 2.689 5.614 ( 4.088 -0.890 2.121) 4.690 5.747 ( -0.026 -7.334 -4.899) 8.820 6.044 ( 0.722 -2.404 3.059) 3.957 6.080 ( -1.091 -4.450 -0.092) 4.583 7.092 ( -0.678 4.456 -0.948) 4.606 7.171 ( 3.879 1.946 -0.281) 4.349 8.940 ( 1.093 -1.502 -0.422) 1.905 8.954 ( 2.135 -1.354 -0.253) 2.541 9.183 ( -0.949 1.344 0.352) 1.683 9.251 ( 1.019 -1.822 -0.071) 2.089 9.394 ( -0.453 0.338 -0.204) 0.601 9.443 ( 0.337 -2.051 -0.740) 2.206 9.831 ( 0.726 3.120 2.677) 4.175 9.906 ( 1.415 0.234 -2.312) 2.721 10.392 ( -1.107 -0.306 1.652) 2.012 10.436 ( -0.777 -3.049 -0.287) 3.159 10.921 ( -0.863 -0.191 -1.147) 1.448 10.948 ( 0.537 -1.202 -0.596) 1.445 11.195 ( 1.022 2.365 0.992) 2.761 11.218 ( 1.354 1.322 -1.187) 2.234 11.615 ( -0.889 5.240 2.392) 5.829 11.679 ( 1.688 3.132 0.810) 3.649 13.045 ( -2.404 1.466 1.857) 3.373 13.132 ( -2.552 -1.848 -0.486) 3.188 13.193 ( 1.403 1.558 -1.677) 2.685 13.246 ( 2.149 -0.244 -0.456) 2.210 20.090 ( 0.340 0.404 2.123) 2.188 20.132 ( 0.216 -1.349 -1.655) 2.146 20.613 ( 0.017 2.402 0.326) 2.424 20.648 ( 0.614 1.106 -1.681) 2.104 23.817 ( -0.555 1.039 1.068) 1.590 23.848 ( 0.273 -0.049 -0.016) 0.278 24.837 ( 0.145 1.182 6.173) 6.287 24.984 ( 1.632 -4.743 -3.146) 5.921 25.992 ( 0.310 1.344 0.430) 1.444 26.008 ( 0.232 0.859 -0.264) 0.928 26.321 ( -0.068 1.966 -0.647) 2.071 26.415 ( 3.253 -1.944 -1.367) 4.028 27.276 ( -1.097 -2.381 0.678) 2.708 27.299 ( 0.238 -3.286 0.644) 3.357 27.799 ( -2.211 4.042 -1.097) 4.736 27.825 ( 0.494 3.146 1.490) 3.516 28.244 ( 0.054 2.876 0.864) 3.004 28.266 ( 0.263 2.379 -1.675) 2.921 28.520 ( 1.967 -3.118 5.439) 6.571 28.569 ( -2.644 -4.974 -7.157) 9.108 38.890 ( -1.298 -0.408 0.445) 1.432 38.924 ( 0.330 -1.891 0.289) 1.941 39.403 ( -0.842 0.686 2.096) 2.361 39.445 ( -0.701 -0.923 -1.784) 2.127 73.374 ( -2.009 1.812 0.615) 2.775 73.438 ( 1.054 -0.447 1.882) 2.203 76.529 ( 2.022 11.011 3.219) 11.649 76.854 ( 13.571 -3.219 -5.397) 14.956 ======================= Grid point 174 (92/128) ======================= q-point: (-0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -15.863 -1.182 4.637) 16.569 1.335 ( -3.904 -11.594 -4.820) 13.149 1.432 ( -11.329 8.454 -5.380) 15.125 1.699 ( -0.598 -2.388 -1.719) 3.002 2.007 ( -7.668 -3.659 0.473) 8.509 2.094 ( -6.293 -3.438 -0.483) 7.187 2.238 ( 0.830 -2.255 -4.300) 4.926 2.280 ( -5.171 0.522 4.275) 6.730 2.396 ( 5.728 3.936 3.879) 7.959 2.502 ( 3.639 -0.942 2.535) 4.534 2.962 ( -1.364 4.159 2.852) 5.224 3.032 ( -0.859 4.270 -1.761) 4.698 3.121 ( -2.426 3.513 -2.749) 5.078 3.309 ( 2.238 -0.664 -2.986) 3.790 3.333 ( 3.867 7.881 3.250) 9.361 3.616 ( 2.293 2.794 -0.115) 3.616 3.659 ( -2.259 -1.527 -2.787) 3.899 3.802 ( -0.565 -5.503 7.428) 9.262 4.131 ( 2.045 3.630 0.674) 4.221 4.242 ( -7.962 -1.337 6.469) 10.345 4.457 ( 9.844 2.048 -5.403) 11.414 4.508 ( 1.085 -0.182 -1.459) 1.828 4.600 ( 5.646 -7.363 -1.868) 9.465 4.720 ( 2.532 -7.166 4.047) 8.611 5.100 ( -3.313 -0.981 -3.242) 4.738 5.205 ( 3.607 -6.281 -4.844) 8.713 5.323 ( -6.544 6.590 6.299) 11.222 5.402 ( 1.259 6.545 4.668) 8.137 5.418 ( 2.183 2.054 -3.842) 4.873 5.490 ( 5.130 -0.639 -4.757) 7.025 5.688 ( 1.628 -2.330 -3.305) 4.359 5.735 ( 3.387 -3.703 -1.401) 5.210 6.067 ( -0.197 -3.920 0.637) 3.977 6.092 ( 2.208 -3.100 1.611) 4.133 7.090 ( 1.276 4.073 -0.761) 4.335 7.246 ( 3.860 -1.219 0.018) 4.048 8.973 ( 2.650 -0.339 -0.320) 2.690 9.005 ( 3.373 -0.944 -0.294) 3.515 9.172 ( -0.397 2.036 0.302) 2.097 9.267 ( 0.425 -2.149 0.436) 2.233 9.380 ( -0.504 0.338 -0.863) 1.055 9.438 ( -0.423 -2.921 -0.699) 3.033 9.870 ( 1.067 2.515 3.123) 4.149 9.929 ( 2.667 0.419 -2.247) 3.512 10.379 ( -1.478 -0.275 1.600) 2.195 10.418 ( -1.016 -2.469 0.459) 2.709 10.885 ( -1.816 -0.106 -1.285) 2.227 10.938 ( -1.054 -1.514 -1.084) 2.140 11.218 ( 2.799 3.231 -2.024) 4.729 11.277 ( 2.934 0.808 2.815) 4.145 11.620 ( -0.339 5.171 2.130) 5.603 11.713 ( 1.411 2.588 -0.136) 2.950 13.013 ( -2.239 1.074 1.340) 2.821 13.080 ( -2.087 -1.571 -0.791) 2.730 13.210 ( 1.366 2.607 -0.771) 3.042 13.278 ( 1.335 0.180 -0.031) 1.348 20.110 ( 0.361 0.162 1.418) 1.472 20.133 ( 0.766 -0.669 -0.891) 1.352 20.611 ( -0.243 2.941 -0.425) 2.982 20.650 ( 1.081 1.481 -2.120) 2.803 23.812 ( -0.640 0.889 0.979) 1.469 23.853 ( 0.385 -0.513 -0.274) 0.697 24.897 ( 0.992 -0.264 6.452) 6.533 25.008 ( 2.501 -3.765 -1.324) 4.710 25.979 ( -0.698 1.921 -1.352) 2.451 26.037 ( 1.819 0.077 1.229) 2.196 26.330 ( 1.872 3.977 -0.839) 4.475 26.477 ( 4.141 -2.472 -1.127) 4.953 27.260 ( -1.279 -1.668 0.787) 2.245 27.312 ( 0.512 -3.581 0.969) 3.744 27.740 ( -2.602 4.374 -1.904) 5.434 27.826 ( -1.179 1.042 -0.467) 1.642 28.223 ( -0.778 2.034 -2.370) 3.218 28.265 ( -0.183 1.545 -1.719) 2.319 28.482 ( -1.492 -1.189 -3.470) 3.959 28.606 ( 2.001 -4.667 7.147) 8.768 38.861 ( -2.054 0.449 0.273) 2.120 38.927 ( -0.233 -2.790 0.040) 2.800 39.391 ( -1.734 -0.014 1.420) 2.241 39.421 ( -0.896 -0.910 -0.760) 1.486 73.354 ( -0.305 3.001 0.464) 3.052 73.468 ( -0.010 -1.431 2.835) 3.176 76.626 ( 6.797 17.000 0.419) 18.313 77.124 ( 19.512 -4.487 -9.009) 21.955 ======================= Grid point 175 (93/128) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -10.333 4.411 6.570) 13.015 1.207 ( -7.329 14.421 0.710) 16.192 1.299 ( 3.107 -14.864 -9.963) 18.162 1.682 ( -0.335 -3.879 -4.572) 6.005 1.915 ( -6.376 0.591 5.778) 8.625 1.951 ( -2.193 -7.463 -3.305) 8.452 2.129 ( -6.053 -2.375 -8.213) 10.475 2.222 ( -4.809 -1.108 5.413) 7.325 2.477 ( 0.345 5.406 2.583) 6.001 2.608 ( 3.126 -0.111 3.151) 4.440 2.922 ( -2.833 7.238 3.031) 8.342 2.999 ( -0.201 3.188 -0.900) 3.318 3.146 ( 3.722 -0.342 0.099) 3.739 3.283 ( -2.490 -0.888 -1.962) 3.293 3.436 ( 3.321 6.886 1.276) 7.750 3.587 ( -1.771 0.558 -2.371) 3.012 3.661 ( 1.273 2.675 0.607) 3.024 3.829 ( -1.259 -4.432 6.289) 7.796 4.141 ( -3.792 -0.645 0.045) 3.847 4.169 ( -1.113 -0.537 2.576) 2.857 4.529 ( 1.219 -1.217 0.277) 1.745 4.607 ( 8.126 -0.547 -4.891) 9.500 4.672 ( 4.716 -5.148 -2.741) 7.501 4.814 ( 4.834 -4.526 -0.594) 6.648 5.027 ( -2.881 3.316 1.269) 4.573 5.182 ( -4.753 2.255 0.951) 5.346 5.247 ( -1.219 -2.609 3.383) 4.443 5.308 ( -5.982 -0.035 2.006) 6.310 5.550 ( 3.867 1.110 -1.892) 4.446 5.596 ( 7.572 6.544 -2.930) 10.428 5.659 ( -0.828 -2.050 -0.963) 2.412 5.827 ( 8.304 -1.635 -6.075) 10.418 6.080 ( 0.410 -2.264 0.886) 2.466 6.137 ( 1.351 -3.408 0.240) 3.674 7.134 ( 3.823 1.812 -0.354) 4.245 7.310 ( 2.608 -4.101 0.212) 4.864 9.034 ( 3.699 1.027 0.058) 3.840 9.072 ( 3.767 -0.381 -0.339) 3.801 9.175 ( 0.311 1.987 0.867) 2.190 9.270 ( -0.806 -2.215 1.305) 2.694 9.366 ( 0.113 0.272 -1.845) 1.869 9.416 ( -1.248 -2.990 -0.905) 3.364 9.910 ( 0.589 2.181 2.985) 3.743 9.970 ( 3.079 -0.076 -2.208) 3.790 10.363 ( -1.113 0.089 1.227) 1.659 10.406 ( -1.101 -1.837 1.621) 2.686 10.838 ( -2.287 -0.136 -0.480) 2.341 10.899 ( -1.714 -1.655 -1.636) 2.890 11.269 ( 4.083 3.989 -2.534) 6.245 11.352 ( 2.389 0.321 3.039) 3.879 11.629 ( -0.266 4.092 1.573) 4.392 11.726 ( 0.322 1.648 -1.153) 2.037 12.982 ( -1.523 1.436 0.812) 2.246 13.052 ( -0.478 -1.498 0.215) 1.588 13.232 ( 1.262 2.802 -0.653) 3.142 13.291 ( 0.081 0.743 -0.640) 0.984 20.127 ( 0.424 0.196 1.245) 1.330 20.144 ( 0.922 -0.429 -0.680) 1.223 20.598 ( -0.259 3.794 -1.694) 4.163 20.655 ( 1.220 1.655 -3.203) 3.806 23.807 ( -0.629 0.695 0.948) 1.333 23.858 ( 0.398 -1.099 -0.663) 1.344 24.953 ( 0.421 -1.083 4.614) 4.759 25.053 ( 1.647 -4.287 1.726) 4.906 25.962 ( 0.108 2.935 -0.319) 2.955 26.087 ( 2.124 -2.091 1.676) 3.420 26.389 ( 5.167 5.700 -1.173) 7.782 26.545 ( 3.702 -2.123 -1.738) 4.608 27.236 ( -1.743 -0.086 0.515) 1.819 27.337 ( 1.213 -3.692 1.739) 4.258 27.675 ( -2.338 3.361 -3.255) 5.231 27.761 ( -3.741 0.008 -4.511) 5.861 28.190 ( -0.746 0.945 -2.592) 2.858 28.222 ( -1.133 -0.255 -4.240) 4.396 28.494 ( 2.380 3.064 4.330) 5.814 28.692 ( 1.097 -5.308 7.647) 9.373 38.820 ( -2.306 1.101 0.291) 2.572 38.910 ( -1.604 -3.672 -0.271) 4.016 39.363 ( -2.043 -0.197 1.137) 2.346 39.395 ( -1.329 -1.229 -0.571) 1.897 73.367 ( 0.668 2.974 1.484) 3.390 73.479 ( -0.582 -1.326 2.219) 2.650 76.786 ( 11.119 22.912 -4.368) 25.839 77.410 ( 18.300 -4.204 -16.595) 25.060 ======================= Grid point 176 (94/128) ======================= q-point: (-0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -7.942 9.116 3.274) 12.526 1.161 ( -0.826 11.665 2.719) 12.006 1.313 ( 5.678 -14.127 -9.321) 17.852 1.614 ( -2.089 -5.498 -6.190) 8.538 1.812 ( -2.051 2.251 -1.780) 3.527 1.944 ( -4.514 3.370 -8.441) 10.148 2.004 ( -0.623 -0.161 8.285) 8.310 2.211 ( 0.445 -7.420 5.854) 9.462 2.471 ( -1.583 1.868 1.575) 2.911 2.628 ( -1.859 -0.220 -0.454) 1.926 2.940 ( 1.759 7.284 2.951) 8.054 3.002 ( -0.640 2.871 2.431) 3.816 3.191 ( -3.647 1.840 0.115) 4.086 3.206 ( 0.447 -0.722 -2.208) 2.366 3.463 ( 0.371 -0.253 -1.039) 1.132 3.530 ( -3.345 4.043 -1.345) 5.417 3.723 ( 5.417 3.305 0.714) 6.386 3.866 ( 0.818 -1.516 3.961) 4.319 4.067 ( -2.790 0.177 -0.012) 2.795 4.164 ( -0.726 -4.659 -0.060) 4.716 4.535 ( -1.911 -1.722 1.903) 3.200 4.639 ( 0.643 -5.507 -4.156) 6.929 4.784 ( 6.631 2.777 -0.985) 7.257 4.899 ( 5.698 0.829 -2.162) 6.151 4.979 ( -5.443 5.335 5.073) 9.155 5.081 ( -6.215 1.593 2.435) 6.862 5.214 ( -0.337 0.223 -0.674) 0.786 5.368 ( 5.320 -7.921 4.647) 10.613 5.564 ( -2.959 0.952 1.594) 3.493 5.598 ( 1.860 0.866 -2.185) 2.997 5.728 ( 5.362 6.898 -6.176) 10.699 5.935 ( 6.214 -3.990 -5.342) 9.114 6.081 ( 0.030 -1.067 -0.508) 1.183 6.132 ( -2.318 -1.963 0.308) 3.054 7.225 ( 5.619 -1.750 -0.260) 5.891 7.340 ( 0.252 -5.536 0.071) 5.542 9.103 ( 2.924 1.814 0.517) 3.480 9.132 ( 2.462 0.152 -0.158) 2.471 9.197 ( 0.912 0.961 1.704) 2.158 9.259 ( -1.542 -1.880 2.222) 3.294 9.358 ( 0.628 -0.025 -2.735) 2.807 9.382 ( -1.189 -1.941 -1.504) 2.728 9.932 ( -0.426 2.261 2.656) 3.514 10.004 ( 1.800 -0.680 -1.922) 2.720 10.366 ( 0.955 -0.219 0.786) 1.256 10.396 ( -1.673 -1.473 2.495) 3.345 10.796 ( -1.990 0.061 0.471) 2.046 10.860 ( -0.707 -1.839 -2.072) 2.859 11.335 ( 4.588 4.466 -1.891) 6.676 11.401 ( 0.770 0.929 1.865) 2.221 11.624 ( -1.177 3.203 0.580) 3.462 11.700 ( -1.793 1.198 -2.416) 3.238 12.981 ( 0.669 1.579 1.760) 2.458 13.065 ( 1.113 -1.647 1.308) 2.380 13.236 ( -0.218 1.809 -1.477) 2.345 13.267 ( -1.495 1.028 -2.468) 3.063 20.136 ( -0.700 0.293 1.830) 1.981 20.162 ( 1.638 -0.641 -1.115) 2.083 20.582 ( 0.493 4.343 -2.821) 5.202 20.639 ( -0.009 2.200 -4.805) 5.285 23.803 ( -0.546 0.504 0.985) 1.234 23.857 ( 0.144 -1.568 -0.977) 1.853 24.979 ( -1.136 -1.044 4.452) 4.712 25.073 ( -0.850 -4.364 1.153) 4.593 25.993 ( 2.369 2.853 2.461) 4.450 26.135 ( 1.248 -3.151 2.302) 4.097 26.482 ( 4.691 3.801 -3.217) 6.841 26.576 ( 1.055 -1.302 -3.386) 3.778 27.216 ( -0.335 3.287 1.491) 3.625 27.381 ( 1.269 -3.398 3.077) 4.756 27.582 ( -3.717 3.917 -7.595) 9.319 27.661 ( -1.935 0.043 -4.217) 4.640 28.164 ( -0.323 0.401 -1.485) 1.571 28.185 ( -0.091 -0.672 -3.082) 3.156 28.620 ( 6.140 0.386 6.852) 9.209 28.750 ( -0.803 -4.981 7.023) 8.647 38.784 ( -1.629 1.076 0.643) 2.056 38.858 ( -3.622 -3.146 -0.053) 4.798 39.331 ( -2.366 0.230 1.698) 2.921 39.370 ( -0.091 -1.101 -1.681) 2.011 73.388 ( -0.751 2.697 3.379) 4.388 73.486 ( 0.559 -0.975 0.177) 1.137 76.963 ( 12.255 24.292 -9.928) 28.963 77.496 ( 4.946 1.557 -24.428) 24.972 ======================= Grid point 177 (95/128) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.949 -15.800 -8.370) 18.122 0.952 ( 2.949 15.800 -8.370) 18.122 1.353 ( -1.158 -6.634 -5.412) 8.640 1.353 ( -1.158 6.634 -5.412) 8.640 1.921 ( 0.449 -6.325 -2.897) 6.971 1.921 ( 0.449 6.325 -2.897) 6.971 2.108 ( 2.521 -3.734 3.946) 5.989 2.108 ( 2.521 3.734 3.946) 5.989 2.523 ( -3.074 -4.590 3.945) 6.789 2.523 ( -3.074 4.590 3.945) 6.789 3.039 ( -2.797 -2.082 6.304) 7.204 3.039 ( -2.797 2.082 6.304) 7.204 3.218 ( 2.378 -1.350 -2.316) 3.583 3.218 ( 2.378 1.350 -2.316) 3.583 3.500 ( 1.674 -2.665 -1.643) 3.550 3.500 ( 1.674 2.665 -1.643) 3.550 3.818 ( -2.468 -2.621 2.914) 4.631 3.818 ( -2.468 2.621 2.914) 4.631 4.119 ( 4.949 -4.277 -3.660) 7.495 4.119 ( 4.949 4.277 -3.660) 7.495 4.510 ( -3.103 -3.864 1.369) 5.141 4.510 ( -3.103 3.864 1.369) 5.141 4.847 ( -9.692 -4.271 5.257) 11.824 4.847 ( -9.692 4.271 5.257) 11.824 5.092 ( 8.581 -0.360 -4.197) 9.559 5.092 ( 8.581 0.360 -4.197) 9.559 5.325 ( 3.344 -5.091 3.100) 6.835 5.325 ( 3.344 5.091 3.100) 6.835 5.590 ( -0.473 -3.721 0.771) 3.829 5.590 ( -0.473 3.721 0.771) 3.829 5.836 ( -0.810 -4.818 -8.097) 9.457 5.836 ( -0.810 4.818 -8.097) 9.457 6.070 ( -1.563 -1.172 0.494) 2.016 6.070 ( -1.563 1.172 0.494) 2.016 7.264 ( 0.805 -0.738 -0.630) 1.261 7.264 ( 0.805 0.738 -0.630) 1.261 9.163 ( 0.142 -0.328 0.390) 0.529 9.163 ( 0.142 0.328 0.390) 0.529 9.224 ( -1.055 -0.929 2.643) 2.994 9.224 ( -1.055 0.929 2.643) 2.994 9.349 ( 1.056 -0.649 -3.167) 3.401 9.349 ( 1.056 0.649 -3.167) 3.401 9.981 ( -1.075 -1.920 1.357) 2.586 9.981 ( -1.075 1.920 1.357) 2.586 10.371 ( -0.314 -0.677 1.821) 1.968 10.371 ( -0.314 0.677 1.821) 1.968 10.808 ( 0.675 -1.735 -1.047) 2.136 10.808 ( 0.675 1.735 -1.047) 2.136 11.443 ( 1.645 -1.188 -0.891) 2.216 11.443 ( 1.645 1.188 -0.891) 2.216 11.650 ( -1.587 -1.499 0.131) 2.187 11.650 ( -1.587 1.499 0.131) 2.187 13.065 ( 1.847 -1.991 2.355) 3.595 13.065 ( 1.847 1.991 2.355) 3.595 13.211 ( -2.306 -0.215 -2.747) 3.593 13.211 ( -2.306 0.215 -2.747) 3.593 20.151 ( -0.389 -1.294 0.809) 1.576 20.151 ( -0.389 1.294 0.809) 1.576 20.628 ( 0.766 -0.371 -3.959) 4.050 20.628 ( 0.766 0.371 -3.959) 4.050 23.818 ( -0.369 -1.238 0.215) 1.310 23.818 ( -0.369 1.238 0.215) 1.310 25.000 ( -1.138 -2.818 2.307) 3.816 25.000 ( -1.138 2.818 2.307) 3.816 26.113 ( 0.832 -2.109 3.247) 3.961 26.113 ( 0.832 2.109 3.247) 3.961 26.519 ( -0.963 -1.038 -4.199) 4.431 26.519 ( -0.963 1.038 -4.199) 4.431 27.341 ( -0.590 -4.150 4.157) 5.904 27.341 ( -0.590 4.150 4.157) 5.904 27.576 ( 1.233 -3.363 -6.918) 7.790 27.576 ( 1.233 3.363 -6.918) 7.790 28.158 ( 0.122 -0.281 -1.331) 1.366 28.158 ( 0.122 0.281 -1.331) 1.366 28.725 ( 0.923 -0.733 4.547) 4.698 28.725 ( 0.923 0.733 4.547) 4.698 38.782 ( -1.164 -0.730 1.178) 1.810 38.782 ( -1.164 0.730 1.178) 1.810 39.338 ( 0.334 -1.636 -0.390) 1.714 39.338 ( 0.334 1.636 -0.390) 1.714 73.454 ( -0.559 -3.085 2.357) 3.922 73.454 ( -0.559 3.085 2.357) 3.922 77.342 ( -0.380 -5.102 -14.820) 15.678 77.342 ( -0.380 5.102 -14.820) 15.678 ======================= Grid point 179 (96/128) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 5.588 -14.022 -6.005) 16.245 0.975 ( 5.588 14.022 -6.005) 16.245 1.375 ( 6.594 -9.473 -2.463) 11.802 1.375 ( 6.594 9.473 -2.463) 11.802 1.879 ( -2.090 -7.332 -2.119) 7.913 1.879 ( -2.090 7.332 -2.119) 7.913 2.149 ( 0.071 -5.961 -1.135) 6.068 2.149 ( 0.071 5.961 -1.135) 6.068 2.535 ( 0.359 -3.774 5.687) 6.835 2.535 ( 0.359 3.774 5.687) 6.835 3.041 ( -1.095 -3.689 4.664) 6.047 3.041 ( -1.095 3.689 4.664) 6.047 3.222 ( 0.070 -2.709 -2.521) 3.701 3.222 ( 0.070 2.709 -2.521) 3.701 3.537 ( 2.220 -3.571 -2.078) 4.690 3.537 ( 2.220 3.571 -2.078) 4.690 3.797 ( -1.598 -6.388 4.074) 7.743 3.797 ( -1.598 6.388 4.074) 7.743 4.200 ( 6.272 -7.103 -5.245) 10.830 4.200 ( 6.272 7.103 -5.245) 10.830 4.436 ( -6.679 -5.739 4.133) 9.727 4.436 ( -6.679 5.739 4.133) 9.727 4.718 ( -5.106 -3.962 1.739) 6.693 4.718 ( -5.106 3.962 1.739) 6.693 5.244 ( 8.481 -1.622 -1.645) 8.790 5.244 ( 8.481 1.622 -1.645) 8.790 5.353 ( -1.844 -2.654 -0.972) 3.375 5.353 ( -1.844 2.654 -0.972) 3.375 5.563 ( -3.902 -5.609 2.022) 7.125 5.563 ( -3.902 5.609 2.022) 7.125 5.744 ( -2.457 -2.794 -5.182) 6.379 5.744 ( -2.457 2.794 -5.182) 6.379 6.048 ( -1.016 -3.702 0.985) 3.963 6.048 ( -1.016 3.702 0.985) 3.963 7.259 ( -0.794 -3.783 -0.803) 3.948 7.259 ( -0.794 3.783 -0.803) 3.948 9.136 ( -3.021 -0.735 0.069) 3.110 9.136 ( -3.021 0.735 0.069) 3.110 9.222 ( -0.907 -0.693 2.159) 2.443 9.222 ( -0.907 0.693 2.159) 2.443 9.355 ( 1.779 -0.510 -2.617) 3.205 9.355 ( 1.779 0.510 -2.617) 3.205 9.960 ( -2.104 -2.104 1.586) 3.372 9.960 ( -2.104 2.104 1.586) 3.372 10.381 ( 0.106 -2.072 1.406) 2.506 10.381 ( 0.106 2.072 1.406) 2.506 10.829 ( 2.099 -1.208 -1.155) 2.683 10.829 ( 2.099 1.208 -1.155) 2.683 11.435 ( -1.401 -4.825 -1.805) 5.339 11.435 ( -1.401 4.825 -1.805) 5.339 11.640 ( -0.021 -1.676 1.465) 2.226 11.640 ( -0.021 1.676 1.465) 2.226 13.099 ( -0.067 -0.855 -0.387) 0.941 13.099 ( -0.067 0.855 -0.387) 0.941 13.172 ( 0.260 -1.825 0.518) 1.915 13.172 ( 0.260 1.825 0.518) 1.915 20.144 ( -0.970 -1.976 0.774) 2.333 20.144 ( -0.970 1.976 0.774) 2.333 20.622 ( 1.250 -1.041 -2.929) 3.351 20.622 ( 1.250 1.041 -2.929) 3.351 23.815 ( -0.222 -0.944 0.483) 1.084 23.815 ( -0.222 0.944 0.483) 1.084 24.995 ( -1.302 -4.419 2.404) 5.196 24.995 ( -1.302 4.419 2.404) 5.196 26.117 ( -2.264 -1.454 1.340) 3.005 26.117 ( -2.264 1.454 1.340) 3.005 26.475 ( -0.991 -0.326 -1.939) 2.202 26.475 ( -0.991 0.326 -1.939) 2.202 27.321 ( -3.300 -4.029 2.326) 5.704 27.321 ( -3.301 4.029 2.326) 5.704 27.596 ( 4.621 -3.282 -4.429) 7.193 27.596 ( 4.621 3.282 -4.429) 7.193 28.156 ( 0.496 -0.168 -0.928) 1.066 28.156 ( 0.496 0.168 -0.928) 1.066 28.753 ( -0.606 -4.621 2.029) 5.083 28.753 ( -0.606 4.621 2.029) 5.083 38.787 ( 0.621 -1.193 1.475) 1.997 38.787 ( 0.621 1.193 1.475) 1.997 39.353 ( 1.446 -2.352 -0.408) 2.791 39.353 ( 1.446 2.352 -0.408) 2.791 73.457 ( -0.836 -4.306 2.097) 4.862 73.457 ( -0.836 4.306 2.097) 4.862 77.172 ( -7.519 -4.020 -8.532) 12.062 77.172 ( -7.519 4.020 -8.532) 12.062 ======================= Grid point 181 (97/128) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 11.332 -9.370 -3.873) 15.206 1.102 ( 11.332 9.370 -3.873) 15.205 1.528 ( 9.504 -11.886 -1.223) 15.268 1.528 ( 9.504 11.886 -1.223) 15.268 1.842 ( 0.725 -6.276 -1.906) 6.599 1.842 ( 0.725 6.276 -1.906) 6.599 2.114 ( -1.492 -7.426 -1.652) 7.752 2.114 ( -1.492 7.426 -1.652) 7.752 2.600 ( 1.089 -3.134 5.842) 6.718 2.600 ( 1.089 3.134 5.842) 6.718 3.049 ( -0.679 -6.025 0.969) 6.140 3.049 ( -0.679 6.025 0.969) 6.140 3.203 ( -0.138 -4.260 -1.623) 4.561 3.203 ( -0.138 4.260 -1.623) 4.561 3.526 ( -2.160 -5.688 -0.223) 6.088 3.526 ( -2.160 5.688 -0.223) 6.088 3.811 ( -0.489 -7.389 2.856) 7.937 3.811 ( -0.489 7.389 2.856) 7.937 4.243 ( -1.279 -10.486 -0.118) 10.564 4.243 ( -1.279 10.486 -0.118) 10.564 4.362 ( -0.614 -7.509 -0.104) 7.535 4.362 ( -0.614 7.509 -0.104) 7.535 4.688 ( 1.224 -4.908 -0.870) 5.133 4.688 ( 1.224 4.908 -0.870) 5.133 5.240 ( -6.193 -6.394 -3.988) 9.754 5.240 ( -6.193 6.394 -3.988) 9.754 5.364 ( 1.524 -2.244 1.017) 2.897 5.364 ( 1.524 2.244 1.017) 2.897 5.477 ( -4.730 -3.148 2.301) 6.130 5.477 ( -4.730 3.148 2.301) 6.130 5.694 ( -0.137 -0.881 -1.941) 2.136 5.694 ( -0.137 0.881 -1.941) 2.136 6.049 ( 0.201 -2.202 0.868) 2.376 6.049 ( 0.201 2.202 0.868) 2.376 7.228 ( -1.655 -5.361 -0.735) 5.659 7.228 ( -1.655 5.361 -0.735) 5.659 9.063 ( -4.160 -1.033 -0.235) 4.293 9.063 ( -4.160 1.033 -0.235) 4.293 9.218 ( -0.858 -0.254 1.295) 1.574 9.218 ( -0.858 0.254 1.295) 1.574 9.376 ( 1.948 -0.496 -1.803) 2.701 9.376 ( 1.948 0.496 -1.803) 2.701 9.931 ( -2.090 -2.614 1.479) 3.659 9.931 ( -2.090 2.614 1.479) 3.659 10.394 ( 0.449 -1.927 0.802) 2.135 10.394 ( 0.449 1.927 0.802) 2.135 10.862 ( 2.015 -0.250 -1.016) 2.270 10.862 ( 2.015 0.250 -1.016) 2.270 11.377 ( -2.931 -6.713 -1.871) 7.561 11.377 ( -2.931 6.713 -1.871) 7.561 11.658 ( 0.089 -1.469 2.183) 2.633 11.658 ( 0.089 1.469 2.183) 2.633 13.084 ( 0.550 -2.085 -2.276) 3.135 13.084 ( 0.550 2.085 -2.276) 3.135 13.200 ( 0.349 -3.006 2.599) 3.989 13.200 ( 0.349 3.006 2.599) 3.989 20.129 ( -1.086 -2.577 0.670) 2.875 20.129 ( -1.086 2.577 0.670) 2.875 20.629 ( 1.182 -1.666 -1.724) 2.673 20.629 ( 1.182 1.666 -1.724) 2.673 23.817 ( -0.028 -0.701 0.752) 1.029 23.817 ( -0.028 0.701 0.752) 1.029 24.981 ( -2.025 -5.982 2.119) 6.662 24.981 ( -2.025 5.982 2.119) 6.662 26.066 ( -2.897 -3.184 -0.128) 4.307 26.066 ( -2.897 3.184 -0.128) 4.307 26.445 ( -1.574 -1.323 -0.637) 2.152 26.445 ( -1.574 1.323 -0.637) 2.152 27.281 ( -1.777 -3.328 0.904) 3.879 27.281 ( -1.777 3.328 0.904) 3.879 27.665 ( 4.628 -2.549 -1.459) 5.481 27.665 ( 4.628 2.549 -1.459) 5.481 28.163 ( 0.854 -0.303 -0.608) 1.092 28.163 ( 0.854 0.303 -0.608) 1.092 28.733 ( -2.011 -6.939 -0.379) 7.234 28.733 ( -2.011 6.939 -0.379) 7.234 38.820 ( 1.424 -1.362 1.453) 2.448 38.820 ( 1.424 1.362 1.453) 2.448 39.383 ( 1.813 -2.979 -0.334) 3.503 39.383 ( 1.813 2.979 -0.334) 3.503 73.453 ( -1.052 -5.411 1.670) 5.760 73.453 ( -1.052 5.411 1.670) 5.760 76.963 ( -9.836 -7.487 -2.267) 12.567 76.963 ( -9.836 7.487 -2.267) 12.567 ======================= Grid point 183 (98/128) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 13.167 -5.576 -5.455) 15.304 1.312 ( 13.167 5.576 -5.455) 15.304 1.671 ( 7.522 -10.159 -4.159) 13.307 1.671 ( 7.522 10.159 -4.159) 13.307 1.916 ( 7.368 -2.174 0.107) 7.682 1.916 ( 7.368 2.174 0.107) 7.682 2.108 ( 0.459 -8.289 4.378) 9.386 2.108 ( 0.459 8.289 4.378) 9.386 2.610 ( -4.135 -3.010 1.483) 5.325 2.610 ( -4.135 3.010 1.483) 5.325 3.033 ( -1.065 -4.475 0.613) 4.641 3.033 ( -1.065 4.475 0.613) 4.641 3.199 ( 1.383 -3.507 -1.566) 4.082 3.199 ( 1.383 3.507 -1.566) 4.082 3.464 ( -4.756 -5.800 0.872) 7.551 3.464 ( -4.756 5.800 0.872) 7.551 3.807 ( -1.179 -9.400 1.358) 9.571 3.807 ( -1.179 9.400 1.358) 9.571 4.184 ( -4.096 -6.211 2.706) 7.917 4.184 ( -4.096 6.212 2.706) 7.917 4.388 ( 2.039 -6.165 -0.736) 6.535 4.388 ( 2.039 6.165 -0.736) 6.535 4.728 ( 3.835 -7.138 -3.559) 8.850 4.728 ( 3.835 7.138 -3.559) 8.850 5.085 ( -7.723 -3.530 -2.532) 8.862 5.085 ( -7.724 3.530 -2.532) 8.862 5.288 ( -6.064 -2.154 4.010) 7.583 5.288 ( -6.064 2.154 4.010) 7.583 5.493 ( 2.222 -2.274 -0.372) 3.202 5.493 ( 2.222 2.274 -0.372) 3.202 5.693 ( 0.583 -2.529 -0.854) 2.732 5.693 ( 0.583 2.529 -0.854) 2.732 6.055 ( -0.341 -0.649 0.592) 0.942 6.055 ( -0.341 0.649 0.592) 0.942 7.193 ( -1.341 -4.984 -0.721) 5.211 7.193 ( -1.341 4.984 -0.721) 5.211 8.987 ( -3.438 -1.201 -0.389) 3.663 8.987 ( -3.438 1.201 -0.389) 3.663 9.211 ( -0.689 -0.108 0.823) 1.079 9.211 ( -0.689 0.108 0.823) 1.079 9.399 ( 1.616 -0.409 -1.339) 2.138 9.399 ( 1.616 0.409 -1.339) 2.138 9.904 ( -1.638 -3.036 1.059) 3.608 9.904 ( -1.638 3.036 1.059) 3.608 10.407 ( 0.450 -0.792 0.169) 0.927 10.407 ( 0.450 0.792 0.169) 0.927 10.887 ( 1.265 -0.717 -0.487) 1.533 10.887 ( 1.265 0.717 -0.487) 1.533 11.308 ( -2.756 -6.421 -1.636) 7.177 11.308 ( -2.756 6.421 -1.636) 7.177 11.669 ( -0.632 -1.055 2.412) 2.708 11.669 ( -0.632 1.055 2.412) 2.708 13.095 ( 1.933 -1.443 -1.705) 2.954 13.095 ( 1.933 1.443 -1.705) 2.954 13.210 ( -0.936 -3.181 1.713) 3.732 13.210 ( -0.936 3.181 1.713) 3.732 20.114 ( -0.896 -2.849 0.574) 3.041 20.114 ( -0.896 2.849 0.574) 3.041 20.638 ( 0.749 -1.623 -1.015) 2.055 20.638 ( 0.749 1.623 -1.015) 2.055 23.824 ( 0.080 -0.601 0.908) 1.091 23.824 ( 0.080 0.601 0.908) 1.091 24.947 ( -2.765 -6.387 1.325) 7.085 24.947 ( -2.765 6.387 1.325) 7.085 26.023 ( -1.493 -3.113 0.123) 3.455 26.023 ( -1.493 3.113 0.123) 3.455 26.404 ( -1.846 -1.694 -1.047) 2.716 26.404 ( -1.846 1.694 -1.047) 2.716 27.266 ( -0.508 -1.837 0.571) 1.990 27.266 ( -0.508 1.837 0.571) 1.990 27.745 ( 3.982 -2.455 0.496) 4.704 27.745 ( 3.982 2.455 0.496) 4.704 28.180 ( 1.238 -0.590 0.099) 1.375 28.180 ( 1.238 0.590 0.099) 1.375 28.678 ( -2.519 -7.649 -2.263) 8.365 28.678 ( -2.519 7.649 -2.263) 8.365 38.856 ( 1.203 -1.112 1.229) 2.048 38.856 ( 1.203 1.112 1.229) 2.048 39.412 ( 1.421 -3.130 -0.305) 3.451 39.412 ( 1.421 3.130 -0.305) 3.451 73.442 ( -1.163 -5.479 1.235) 5.736 73.442 ( -1.163 5.479 1.235) 5.736 76.779 ( -8.549 -6.625 0.653) 10.835 76.779 ( -8.549 6.625 0.653) 10.835 ======================= Grid point 185 (99/128) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 8.582 -3.449 -6.459) 11.281 1.484 ( 8.582 3.449 -6.459) 11.281 1.799 ( 9.752 -7.333 -3.741) 12.762 1.799 ( 9.752 7.333 -3.741) 12.762 2.038 ( 3.313 -2.958 1.020) 4.557 2.038 ( 3.313 2.958 1.020) 4.557 2.198 ( 3.226 -8.091 7.303) 11.367 2.198 ( 3.226 8.091 7.303) 11.367 2.458 ( -9.814 -1.820 -3.144) 10.465 2.458 ( -9.814 1.820 -3.144) 10.465 3.017 ( -1.399 -2.366 0.870) 2.883 3.017 ( -1.399 2.366 0.870) 2.883 3.261 ( 5.419 -3.094 0.366) 6.251 3.261 ( 5.419 3.094 0.366) 6.251 3.364 ( -5.028 -5.782 0.203) 7.666 3.364 ( -5.028 5.782 0.203) 7.666 3.784 ( -2.182 -10.065 -0.244) 10.302 3.784 ( -2.182 10.065 -0.244) 10.302 4.154 ( -0.687 -1.779 2.173) 2.891 4.154 ( -0.687 1.779 2.173) 2.891 4.408 ( -0.328 -5.176 1.394) 5.371 4.408 ( -0.328 5.176 1.394) 5.371 4.760 ( 0.913 -4.218 -2.218) 4.852 4.760 ( 0.913 4.218 -2.218) 4.852 4.912 ( -6.783 -2.127 -2.117) 7.417 4.912 ( -6.783 2.127 -2.117) 7.417 5.286 ( 2.719 -2.767 2.745) 4.753 5.286 ( 2.719 2.767 2.745) 4.753 5.514 ( 0.200 -2.082 0.189) 2.100 5.514 ( 0.200 2.082 0.189) 2.100 5.688 ( -0.511 -4.375 -1.544) 4.667 5.688 ( -0.511 4.375 -1.544) 4.667 6.044 ( -1.194 -2.167 0.712) 2.575 6.044 ( -1.194 2.167 0.712) 2.575 7.170 ( -0.488 -3.162 -0.823) 3.303 7.170 ( -0.488 3.162 -0.823) 3.303 8.933 ( -1.838 -0.975 -0.372) 2.114 8.933 ( -1.838 0.975 -0.372) 2.114 9.207 ( -0.297 -0.291 0.710) 0.823 9.207 ( -0.297 0.291 0.710) 0.823 9.414 ( 0.945 -0.644 -1.224) 1.675 9.414 ( 0.945 0.644 -1.224) 1.675 9.885 ( -1.006 -3.039 0.537) 3.246 9.885 ( -1.006 3.039 0.537) 3.246 10.412 ( 0.065 -0.401 -0.252) 0.478 10.412 ( 0.065 0.401 -0.252) 0.478 10.906 ( 0.884 -0.734 0.180) 1.163 10.906 ( 0.884 0.734 0.180) 1.163 11.253 ( -1.770 -4.746 -1.488) 5.279 11.253 ( -1.770 4.746 -1.488) 5.279 11.672 ( -0.788 -0.837 2.397) 2.659 11.672 ( -0.788 0.837 2.397) 2.659 13.123 ( 1.462 -0.745 -0.253) 1.661 13.123 ( 1.463 0.745 -0.253) 1.661 13.196 ( -0.896 -2.625 -0.083) 2.775 13.196 ( -0.896 2.625 -0.083) 2.775 20.104 ( -0.559 -2.597 0.490) 2.701 20.104 ( -0.559 2.597 0.490) 2.701 20.643 ( 0.470 -1.353 -0.752) 1.618 20.643 ( 0.470 1.353 -0.752) 1.618 23.832 ( 0.023 -0.624 0.949) 1.136 23.832 ( 0.023 0.624 0.949) 1.136 24.904 ( -2.252 -5.699 0.659) 6.163 24.904 ( -2.252 5.699 0.659) 6.163 26.008 ( -0.496 -2.161 0.616) 2.301 26.008 ( -0.496 2.161 0.616) 2.301 26.368 ( -0.840 -1.042 -1.411) 1.945 26.368 ( -0.840 1.042 -1.411) 1.945 27.263 ( -0.269 -0.713 0.422) 0.872 27.263 ( -0.269 0.713 0.422) 0.872 27.815 ( 2.478 -2.465 1.182) 3.689 27.815 ( 2.478 2.465 1.182) 3.689 28.213 ( 1.669 -1.146 1.380) 2.450 28.213 ( 1.669 1.146 1.380) 2.450 28.610 ( -2.392 -7.259 -3.597) 8.447 28.610 ( -2.392 7.259 -3.597) 8.447 38.881 ( 0.628 -0.716 0.967) 1.357 38.881 ( 0.628 0.716 0.967) 1.357 39.430 ( 0.672 -2.676 -0.310) 2.776 39.430 ( 0.672 2.676 -0.310) 2.776 73.428 ( -1.085 -4.008 1.015) 4.275 73.428 ( -1.085 4.008 1.015) 4.275 76.659 ( -4.382 -4.804 0.986) 6.577 76.659 ( -4.382 4.804 0.986) 6.577 ======================= Grid point 187 (100/128) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -1.315 -2.514 -4.757) 5.539 1.517 ( -1.315 2.514 -4.757) 5.539 1.965 ( 4.108 -2.179 -1.014) 4.759 1.965 ( 4.108 2.179 -1.014) 4.759 2.029 ( -1.715 -3.304 -1.761) 4.118 2.029 ( -1.715 3.304 -1.761) 4.118 2.205 ( -5.221 -4.309 4.089) 7.908 2.205 ( -5.221 4.309 4.089) 7.908 2.355 ( 1.495 -1.543 0.398) 2.185 2.355 ( 1.495 1.543 0.398) 2.185 3.006 ( 0.026 -1.297 0.697) 1.472 3.006 ( 0.026 1.297 0.697) 1.472 3.267 ( -1.134 -2.854 -2.397) 3.895 3.267 ( -1.134 2.854 -2.397) 3.895 3.419 ( 5.813 -6.716 2.602) 9.255 3.419 ( 5.813 6.716 2.602) 9.255 3.715 ( -3.705 -7.698 -1.295) 8.641 3.715 ( -3.706 7.698 -1.295) 8.641 4.188 ( 2.584 -3.891 1.096) 4.798 4.188 ( 2.584 3.891 1.096) 4.798 4.400 ( -1.550 -1.877 2.310) 3.355 4.400 ( -1.550 1.877 2.310) 3.355 4.665 ( -8.349 -2.526 2.655) 9.118 4.665 ( -8.349 2.526 2.655) 9.118 4.911 ( 7.843 -5.251 -5.681) 11.017 4.911 ( 7.843 5.251 -5.681) 11.017 5.378 ( 3.812 -2.248 1.823) 4.786 5.378 ( 3.812 2.248 1.823) 4.786 5.512 ( -0.703 -2.953 1.203) 3.265 5.512 ( -0.703 2.953 1.203) 3.265 5.648 ( -1.539 -5.773 -2.953) 6.665 5.648 ( -1.539 5.773 -2.953) 6.665 6.027 ( -1.320 -2.152 1.433) 2.903 6.027 ( -1.320 2.152 1.433) 2.903 7.162 ( 0.310 -0.699 -0.891) 1.174 7.162 ( 0.310 0.699 -0.891) 1.174 8.913 ( 0.049 -0.365 -0.313) 0.483 8.913 ( 0.049 0.365 -0.313) 0.483 9.209 ( 0.016 -0.763 0.640) 0.996 9.209 ( 0.016 0.763 0.640) 0.996 9.417 ( 0.292 -1.021 -1.190) 1.595 9.417 ( 0.292 1.021 -1.190) 1.595 9.876 ( -0.098 -2.602 0.296) 2.621 9.876 ( -0.098 2.602 0.296) 2.621 10.406 ( -0.453 -0.921 -0.169) 1.040 10.406 ( -0.453 0.921 -0.169) 1.040 10.924 ( 0.733 -0.286 0.173) 0.806 10.924 ( 0.733 0.286 0.173) 0.806 11.222 ( -0.400 -2.457 -1.144) 2.740 11.222 ( -0.400 2.457 -1.144) 2.740 11.678 ( -0.244 -0.724 2.133) 2.266 11.678 ( -0.244 0.724 2.133) 2.266 13.125 ( -1.936 -2.481 1.410) 3.448 13.125 ( -1.936 2.481 1.410) 3.448 13.196 ( 1.877 -1.172 -1.786) 2.844 13.196 ( 1.877 1.172 -1.786) 2.844 20.101 ( -0.115 -1.886 0.438) 1.940 20.101 ( -0.115 1.886 0.438) 1.940 20.646 ( 0.459 -1.107 -0.751) 1.414 20.646 ( 0.459 1.107 -0.751) 1.414 23.837 ( -0.175 -0.704 0.900) 1.156 23.837 ( -0.175 0.704 0.900) 1.156 24.880 ( -0.624 -4.710 0.579) 4.786 24.880 ( -0.624 4.710 0.579) 4.786 26.008 ( -0.103 -1.153 0.730) 1.369 26.008 ( -0.103 1.153 0.730) 1.369 26.354 ( 0.549 -1.087 -1.498) 1.931 26.354 ( 0.549 1.087 -1.498) 1.931 27.261 ( -0.336 -0.106 0.437) 0.562 27.261 ( -0.336 0.106 0.437) 0.562 27.852 ( 0.594 -1.294 0.816) 1.641 27.852 ( 0.594 1.294 0.816) 1.641 28.260 ( 1.653 -1.844 2.370) 3.428 28.260 ( 1.653 1.844 2.370) 3.428 28.539 ( -1.985 -5.722 -3.995) 7.255 28.539 ( -1.985 5.722 -3.995) 7.255 38.894 ( 0.040 -0.419 0.751) 0.861 38.894 ( 0.040 0.419 0.751) 0.861 39.433 ( -0.104 -1.865 -0.248) 1.884 39.433 ( -0.104 1.865 -0.248) 1.884 73.418 ( -0.831 -1.607 1.107) 2.121 73.418 ( -0.831 1.607 1.107) 2.121 76.637 ( 1.838 -5.063 0.192) 5.389 76.637 ( 1.838 5.063 0.192) 5.389 ======================= Grid point 189 (101/128) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -11.522 -3.177 -2.171) 12.147 1.360 ( -11.522 3.177 -2.171) 12.147 1.782 ( -9.980 -0.960 -3.329) 10.565 1.782 ( -9.980 0.960 -3.329) 10.565 2.101 ( -2.240 -1.740 2.759) 3.957 2.101 ( -2.240 1.740 2.759) 3.957 2.219 ( 3.998 -3.666 1.972) 5.772 2.219 ( 3.998 3.666 1.973) 5.772 2.385 ( 1.994 -4.216 -0.291) 4.673 2.385 ( 1.994 4.216 -0.291) 4.673 3.023 ( 0.757 -2.918 0.769) 3.112 3.023 ( 0.757 2.918 0.769) 3.112 3.266 ( 1.290 -2.947 -1.285) 3.464 3.266 ( 1.290 2.947 -1.285) 3.464 3.475 ( 0.470 -10.181 -1.944) 10.376 3.475 ( 0.470 10.181 -1.944) 10.376 3.687 ( 0.439 -5.010 2.747) 5.731 3.687 ( 0.439 5.010 2.747) 5.731 4.231 ( 0.035 -7.181 1.245) 7.289 4.231 ( 0.035 7.181 1.245) 7.289 4.409 ( 2.344 -2.264 0.507) 3.298 4.409 ( 2.344 2.264 0.507) 3.298 4.567 ( -3.051 -4.497 1.551) 5.652 4.567 ( -3.051 4.497 1.551) 5.652 5.044 ( 8.544 -2.627 -4.886) 10.187 5.044 ( 8.544 2.627 -4.886) 10.187 5.418 ( 0.029 -0.552 -0.482) 0.733 5.418 ( 0.029 0.552 -0.482) 0.733 5.511 ( -0.593 -4.203 1.748) 4.590 5.511 ( -0.593 4.203 1.749) 4.590 5.617 ( 0.729 -4.175 -1.570) 4.520 5.617 ( 0.729 4.175 -1.570) 4.520 6.019 ( -0.518 -0.785 1.712) 1.953 6.019 ( -0.518 0.785 1.712) 1.953 7.168 ( 0.891 -2.256 -0.751) 2.539 7.168 ( 0.891 2.256 -0.751) 2.539 8.930 ( 1.954 -0.548 -0.276) 2.048 8.930 ( 1.954 0.548 -0.276) 2.048 9.215 ( 0.086 -1.627 0.445) 1.689 9.215 ( 0.086 1.627 0.445) 1.689 9.410 ( -0.158 -1.208 -1.072) 1.623 9.410 ( -0.158 1.208 -1.072) 1.623 9.887 ( 0.917 -1.993 0.448) 2.239 9.887 ( 0.917 1.993 0.448) 2.239 10.394 ( -0.798 -0.907 0.328) 1.252 10.394 ( -0.798 0.907 0.328) 1.252 10.929 ( -0.227 -0.738 -0.624) 0.993 10.929 ( -0.227 0.738 -0.624) 0.993 11.226 ( 1.499 -0.556 -0.470) 1.667 11.226 ( 1.499 0.556 -0.470) 1.667 11.693 ( 0.281 -1.792 1.629) 2.438 11.693 ( 0.281 1.792 1.629) 2.438 13.087 ( -2.621 -2.299 0.783) 3.573 13.087 ( -2.621 2.299 0.783) 3.573 13.227 ( 2.133 -1.459 -0.929) 2.747 13.227 ( 2.133 1.459 -0.929) 2.747 20.106 ( 0.325 -1.077 0.425) 1.202 20.106 ( 0.325 1.077 0.425) 1.202 20.650 ( 0.628 -0.942 -0.986) 1.502 20.650 ( 0.628 0.942 -0.986) 1.502 23.838 ( -0.371 -0.876 0.769) 1.223 23.838 ( -0.371 0.876 0.769) 1.223 24.890 ( 1.059 -3.829 1.080) 4.117 24.890 ( 1.059 3.829 1.080) 4.117 26.013 ( 0.076 -0.456 0.508) 0.686 26.013 ( 0.076 0.456 0.508) 0.686 26.368 ( 2.046 -2.410 -1.436) 3.472 26.368 ( 2.046 2.410 -1.436) 3.472 27.258 ( -0.349 -0.605 0.606) 0.925 27.258 ( -0.349 0.605 0.606) 0.925 27.850 ( -1.021 -0.736 -0.060) 1.260 27.850 ( -1.021 0.736 -0.060) 1.260 28.293 ( 0.181 -0.813 0.308) 0.888 28.293 ( 0.181 0.813 0.308) 0.888 28.490 ( -0.547 -1.426 -1.184) 1.933 28.490 ( -0.547 1.426 -1.184) 1.933 38.894 ( -0.559 -0.819 0.587) 1.152 38.894 ( -0.559 0.819 0.587) 1.152 39.423 ( -0.814 -1.102 -0.103) 1.374 39.423 ( -0.814 1.102 -0.103) 1.374 73.414 ( -0.517 -1.745 1.465) 2.336 73.414 ( -0.517 1.745 1.465) 2.336 76.736 ( 8.911 -8.126 -1.417) 12.143 76.736 ( 8.911 8.126 -1.417) 12.143 ======================= Grid point 191 (102/128) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -9.441 -6.113 0.431) 11.255 1.133 ( -9.441 6.113 0.431) 11.255 1.605 ( -6.228 -6.729 -2.948) 9.631 1.605 ( -6.228 6.729 -2.948) 9.631 2.005 ( -6.846 -3.412 -0.794) 7.690 2.005 ( -6.846 3.412 -0.794) 7.690 2.249 ( -2.592 -2.153 -0.432) 3.397 2.249 ( -2.592 2.153 -0.432) 3.397 2.473 ( 5.611 -2.521 3.549) 7.101 2.473 ( 5.611 2.521 3.549) 7.101 3.034 ( -0.272 -2.561 0.975) 2.753 3.034 ( -0.272 2.561 0.975) 2.753 3.238 ( -2.398 -5.735 -2.594) 6.735 3.238 ( -2.398 5.735 -2.594) 6.735 3.516 ( 4.661 -8.428 -0.720) 9.658 3.516 ( 4.661 8.428 -0.720) 9.658 3.709 ( -1.583 -3.998 4.864) 6.492 3.709 ( -1.583 3.998 4.864) 6.492 4.210 ( -3.068 -3.262 2.167) 4.975 4.210 ( -3.068 3.262 2.167) 4.975 4.487 ( 5.084 -2.100 -2.756) 6.152 4.487 ( 5.084 2.100 -2.756) 6.152 4.578 ( 4.150 -5.575 0.047) 6.950 4.578 ( 4.150 5.575 0.047) 6.950 5.106 ( 1.430 -2.479 -4.136) 5.030 5.106 ( 1.430 2.479 -4.136) 5.030 5.396 ( -4.165 -1.651 2.739) 5.251 5.396 ( -4.165 1.651 2.739) 5.251 5.542 ( 5.200 -1.472 -2.617) 6.005 5.542 ( 5.200 1.472 -2.617) 6.005 5.644 ( 2.663 -3.631 -0.162) 4.506 5.644 ( 2.663 3.631 -0.162) 4.506 6.037 ( 1.259 -1.306 1.275) 2.218 6.037 ( 1.259 1.306 1.275) 2.218 7.184 ( 1.244 -4.313 -0.416) 4.508 7.184 ( 1.244 4.313 -0.416) 4.508 8.982 ( 3.573 -1.020 -0.204) 3.721 8.982 ( 3.573 1.020 -0.204) 3.721 9.219 ( 0.018 -2.350 0.498) 2.403 9.219 ( 0.018 2.350 0.498) 2.403 9.395 ( -0.504 -1.261 -1.182) 1.800 9.395 ( -0.504 1.261 -1.182) 1.800 9.915 ( 1.547 -1.580 0.689) 2.316 9.915 ( 1.547 1.580 0.689) 2.316 10.382 ( -0.961 -0.927 0.936) 1.630 10.382 ( -0.961 0.927 0.936) 1.630 10.905 ( -1.496 -1.532 -1.127) 2.420 10.905 ( -1.496 1.532 -1.127) 2.420 11.269 ( 3.113 -1.502 -0.103) 3.458 11.269 ( 3.113 1.502 -0.103) 3.458 11.708 ( 0.130 -2.710 0.982) 2.885 11.708 ( 0.130 2.710 0.982) 2.885 13.044 ( -2.141 -1.760 0.394) 2.800 13.044 ( -2.141 1.760 0.394) 2.800 13.259 ( 1.669 -1.869 -0.325) 2.526 13.259 ( 1.669 1.869 -0.325) 2.526 20.118 ( 0.600 -0.617 0.443) 0.968 20.118 ( 0.600 0.617 0.443) 0.968 20.655 ( 0.832 -1.036 -1.588) 2.071 20.655 ( 0.832 1.036 -1.588) 2.071 23.835 ( -0.433 -1.135 0.564) 1.339 23.835 ( -0.433 1.135 0.564) 1.339 24.930 ( 1.807 -3.139 1.889) 4.085 24.930 ( 1.807 3.139 1.889) 4.085 26.018 ( 0.185 -1.622 0.281) 1.657 26.018 ( 0.185 1.622 0.281) 1.657 26.413 ( 3.772 -3.651 -1.335) 5.417 26.413 ( 3.772 3.651 -1.335) 5.417 27.258 ( -0.135 -1.387 0.821) 1.618 27.258 ( -0.135 1.387 0.821) 1.618 27.811 ( -2.461 -2.251 -1.591) 3.695 27.811 ( -2.461 2.251 -1.591) 3.695 28.265 ( -1.439 -1.554 -3.581) 4.161 28.265 ( -1.439 1.554 -3.581) 4.161 28.511 ( 1.297 -3.760 4.034) 5.665 28.511 ( 1.297 3.760 4.034) 5.665 38.880 ( -1.288 -1.549 0.472) 2.069 38.880 ( -1.288 1.549 0.472) 2.069 39.401 ( -1.391 -0.837 0.018) 1.624 39.401 ( -1.391 0.837 0.018) 1.624 73.419 ( -0.259 -2.964 1.933) 3.548 73.419 ( -0.259 2.964 1.933) 3.548 76.945 ( 14.875 -12.526 -4.633) 19.991 76.945 ( 14.875 12.526 -4.633) 19.991 ======================= Grid point 193 (103/128) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.624 -10.111 -2.829) 10.624 1.031 ( -1.624 10.111 -2.829) 10.624 1.509 ( -2.465 -12.978 -1.033) 13.250 1.509 ( -2.465 12.978 -1.033) 13.250 1.877 ( -3.904 -2.338 -2.573) 5.228 1.877 ( -3.904 2.338 -2.573) 5.228 2.157 ( -5.240 -4.149 -1.082) 6.770 2.157 ( -5.240 4.149 -1.082) 6.770 2.588 ( 1.938 -3.096 4.392) 5.712 2.588 ( 1.938 3.096 4.392) 5.712 3.031 ( -1.384 -2.160 2.684) 3.712 3.031 ( -1.384 2.160 2.684) 3.712 3.182 ( -0.692 -5.354 -2.218) 5.836 3.182 ( -0.692 5.354 -2.218) 5.836 3.563 ( -0.513 -4.113 -0.568) 4.184 3.563 ( -0.513 4.113 -0.568) 4.184 3.734 ( 1.402 -4.377 5.123) 6.882 3.734 ( 1.402 4.377 5.123) 6.882 4.152 ( -3.673 -1.143 0.091) 3.848 4.152 ( -3.673 1.143 0.091) 3.848 4.534 ( 1.892 -2.799 -1.269) 3.609 4.534 ( 1.892 2.799 -1.269) 3.609 4.714 ( 9.948 -5.203 -3.459) 11.747 4.714 ( 9.948 5.203 -3.459) 11.747 5.102 ( 0.901 -4.517 0.423) 4.626 5.102 ( 0.901 4.517 0.423) 4.626 5.291 ( -8.425 -2.333 3.418) 9.387 5.291 ( -8.425 2.333 3.418) 9.387 5.595 ( 0.748 -3.233 -0.701) 3.391 5.595 ( 0.748 3.233 -0.701) 3.391 5.745 ( 8.757 -5.841 -4.254) 11.354 5.745 ( 8.757 5.841 -4.254) 11.354 6.076 ( 1.827 -1.831 -0.069) 2.588 6.076 ( 1.827 1.831 -0.069) 2.588 7.209 ( 1.597 -4.911 -0.078) 5.165 7.209 ( 1.597 4.911 -0.078) 5.165 9.057 ( 4.224 -1.054 -0.036) 4.354 9.057 ( 4.224 1.054 -0.036) 4.354 9.222 ( -0.375 -2.357 1.163) 2.655 9.222 ( -0.375 2.357 1.163) 2.655 9.376 ( -0.352 -0.976 -1.758) 2.041 9.376 ( -0.352 0.976 -1.758) 2.041 9.951 ( 1.467 -1.561 0.821) 2.294 9.951 ( 1.467 1.561 0.821) 2.294 10.372 ( -0.992 -1.160 1.470) 2.119 10.372 ( -0.992 1.160 1.470) 2.119 10.862 ( -1.990 -1.779 -1.052) 2.869 10.862 ( -1.990 1.779 -1.052) 2.869 11.334 ( 3.605 -2.102 -0.162) 4.176 11.334 ( 3.605 2.102 -0.162) 4.176 11.708 ( -0.702 -2.856 0.291) 2.955 11.708 ( -0.702 2.856 0.291) 2.955 13.017 ( -0.918 -1.793 0.599) 2.101 13.017 ( -0.918 1.793 0.599) 2.101 13.280 ( 0.633 -1.633 -0.672) 1.876 13.280 ( 0.633 1.633 -0.672) 1.876 20.134 ( 0.597 -0.436 0.516) 0.902 20.134 ( 0.597 0.436 0.516) 0.902 20.656 ( 0.813 -1.528 -2.670) 3.182 20.656 ( 0.813 1.528 -2.670) 3.182 23.830 ( -0.406 -1.378 0.317) 1.471 23.830 ( -0.406 1.378 0.317) 1.471 24.976 ( 1.087 -2.852 2.420) 3.895 24.976 ( 1.087 2.852 2.420) 3.895 26.028 ( 0.688 -3.182 0.875) 3.371 26.028 ( 0.688 3.182 0.875) 3.371 26.486 ( 4.725 -3.623 -1.822) 6.227 26.486 ( 4.725 3.623 -1.822) 6.227 27.267 ( 0.475 -2.746 1.181) 3.027 27.267 ( 0.475 2.746 1.181) 3.027 27.735 ( -3.351 -2.244 -3.684) 5.462 27.735 ( -3.351 2.244 -3.684) 5.462 28.210 ( -1.193 -0.859 -3.606) 3.894 28.210 ( -1.193 0.859 -3.606) 3.894 28.580 ( 1.768 -5.008 6.118) 8.101 28.580 ( 1.768 5.008 6.118) 8.101 38.851 ( -2.111 -2.023 0.472) 2.962 38.851 ( -2.111 2.023 0.472) 2.962 39.372 ( -1.561 -0.876 -0.022) 1.790 39.372 ( -1.561 0.876 -0.022) 1.790 73.431 ( -0.158 -2.947 2.298) 3.740 73.431 ( -0.158 2.947 2.298) 3.740 77.199 ( 16.231 -15.649 -10.078) 24.696 77.199 ( 16.231 15.649 -10.078) 24.696 ======================= Grid point 195 (104/128) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.511 -13.165 -8.108) 15.470 0.982 ( 0.511 13.165 -8.108) 15.470 1.447 ( -3.356 -10.963 -4.065) 12.165 1.447 ( -3.356 10.963 -4.065) 12.165 1.874 ( 4.553 -7.411 -1.055) 8.762 1.874 ( 4.553 7.411 -1.055) 8.762 2.075 ( -2.893 -7.418 2.418) 8.322 2.075 ( -2.893 7.418 2.418) 8.322 2.583 ( -4.328 -5.182 2.497) 7.198 2.583 ( -4.328 5.182 2.497) 7.198 3.036 ( -1.418 -1.600 5.780) 6.162 3.036 ( -1.418 1.600 5.780) 6.162 3.185 ( 2.159 -0.350 -2.052) 3.000 3.185 ( 2.159 0.350 -2.052) 3.000 3.519 ( -2.398 -4.269 -0.433) 4.915 3.519 ( -2.398 4.269 -0.433) 4.915 3.806 ( 1.656 -4.274 3.393) 5.702 3.806 ( 1.656 4.274 3.393) 5.702 4.096 ( -0.734 -2.413 -1.783) 3.088 4.096 ( -0.734 2.413 -1.783) 3.088 4.541 ( -0.388 -2.747 -0.846) 2.900 4.541 ( -0.388 2.747 -0.846) 2.900 4.866 ( 7.255 -3.712 -2.164) 8.432 4.866 ( 7.255 3.712 -2.164) 8.432 5.089 ( -6.857 -3.218 3.345) 8.280 5.089 ( -6.857 3.218 3.345) 8.280 5.224 ( 2.784 -3.168 2.635) 4.973 5.224 ( 2.784 3.168 2.635) 4.973 5.592 ( -0.311 -1.338 0.105) 1.378 5.592 ( -0.311 1.338 0.105) 1.378 5.850 ( 5.288 -4.402 -6.483) 9.453 5.850 ( 5.288 4.402 -6.483) 9.453 6.090 ( -0.030 -1.717 -0.964) 1.969 6.090 ( -0.030 1.717 -0.964) 1.969 7.241 ( 1.739 -3.240 -0.177) 3.681 7.241 ( 1.739 3.240 -0.177) 3.681 9.130 ( 2.957 -0.641 0.228) 3.035 9.130 ( 2.957 0.641 0.228) 3.035 9.223 ( -0.750 -1.497 2.174) 2.744 9.223 ( -0.750 1.497 2.174) 2.744 9.359 ( 0.273 -0.434 -2.652) 2.701 9.359 ( 0.273 0.434 -2.652) 2.701 9.978 ( 0.526 -1.821 1.013) 2.149 9.978 ( 0.526 1.821 1.013) 2.149 10.367 ( -0.743 -0.908 1.823) 2.168 10.367 ( -0.743 0.908 1.823) 2.168 10.822 ( -1.240 -1.770 -0.940) 2.356 10.822 ( -1.240 1.770 -0.940) 2.356 11.398 ( 3.194 -1.520 -0.350) 3.555 11.398 ( 3.194 1.520 -0.350) 3.555 11.685 ( -1.658 -2.237 -0.225) 2.794 11.685 ( -1.658 2.237 -0.225) 2.794 13.023 ( 0.804 -2.200 1.461) 2.761 13.023 ( 0.804 2.200 1.461) 2.761 13.266 ( -1.221 -0.910 -1.916) 2.448 13.266 ( -1.221 0.910 -1.916) 2.448 20.147 ( 0.266 -0.673 0.676) 0.991 20.147 ( 0.266 0.673 0.676) 0.991 20.645 ( 0.578 -1.514 -3.805) 4.135 20.645 ( 0.578 1.514 -3.805) 4.135 23.824 ( -0.398 -1.434 0.147) 1.495 23.824 ( -0.398 1.434 0.147) 1.495 25.000 ( -0.414 -2.589 2.369) 3.534 25.000 ( -0.414 2.589 2.369) 3.534 26.062 ( 1.605 -3.569 2.493) 4.640 26.062 ( 1.605 3.569 2.493) 4.640 26.540 ( 2.331 -2.102 -3.495) 4.698 26.540 ( 2.331 2.102 -3.495) 4.698 27.299 ( 1.493 -4.237 2.460) 5.122 27.299 ( 1.493 4.237 2.460) 5.122 27.641 ( -2.592 -1.891 -5.587) 6.443 27.641 ( -2.592 1.891 -5.587) 6.443 28.173 ( -0.440 -0.493 -2.274) 2.368 28.173 ( -0.440 0.493 -2.274) 2.368 28.659 ( 1.668 -3.313 6.156) 7.187 28.659 ( 1.668 3.313 6.156) 7.187 38.811 ( -2.361 -1.588 0.728) 2.937 38.811 ( -2.361 1.588 0.728) 2.937 39.347 ( -0.929 -1.070 -0.217) 1.434 39.347 ( -0.929 1.070 -0.217) 1.434 73.445 ( -0.283 -2.584 2.431) 3.559 73.445 ( -0.283 2.584 2.431) 3.559 77.365 ( 9.949 -13.509 -15.279) 22.691 77.365 ( 9.949 13.509 -15.279) 22.691 ======================= Grid point 217 (105/128) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 5.212 0.000 -21.278) 21.907 1.226 ( -5.212 0.000 21.278) 21.907 1.381 ( -6.000 0.000 -22.234) 23.030 1.381 ( 6.000 0.000 22.234) 23.030 1.944 ( -1.718 0.000 -4.622) 4.930 1.944 ( 1.718 0.000 4.622) 4.930 1.987 ( -4.606 0.000 -22.453) 22.920 1.987 ( 4.606 0.000 22.453) 22.920 2.438 ( -0.231 0.000 -0.353) 0.422 2.438 ( 0.231 0.000 0.353) 0.422 2.870 ( -5.623 0.000 -1.376) 5.789 2.870 ( 5.623 0.000 1.376) 5.789 3.148 ( -7.455 0.000 -2.219) 7.778 3.148 ( 7.455 0.000 2.219) 7.778 3.402 ( 3.969 0.000 -5.373) 6.680 3.402 ( -3.969 0.000 5.373) 6.680 3.721 ( 4.177 0.000 -2.600) 4.920 3.721 ( -4.177 0.000 2.600) 4.920 4.211 ( -6.749 0.000 -5.116) 8.469 4.211 ( 6.749 0.000 5.116) 8.469 4.714 ( 10.455 0.000 -8.115) 13.235 4.714 ( -10.455 0.000 8.115) 13.235 4.808 ( -4.333 0.000 -0.491) 4.361 4.808 ( 4.333 0.000 0.491) 4.361 5.027 ( -1.233 0.000 -3.758) 3.955 5.027 ( 1.233 0.000 3.758) 3.955 5.200 ( 6.253 0.000 -3.721) 7.277 5.200 ( -6.253 0.000 3.721) 7.277 5.492 ( 2.679 0.000 -1.918) 3.295 5.492 ( -2.679 0.000 1.918) 3.295 6.066 ( -7.572 0.000 -2.412) 7.947 6.066 ( 7.572 0.000 2.412) 7.947 6.145 ( 7.872 0.000 -2.684) 8.317 6.145 ( -7.872 0.000 2.684) 8.317 7.491 ( -2.407 0.000 -2.889) 3.760 7.491 ( 2.407 0.000 2.889) 3.760 9.122 ( -1.073 0.000 -1.479) 1.827 9.122 ( 1.073 0.000 1.479) 1.827 9.283 ( -1.577 0.000 -2.011) 2.556 9.283 ( 1.577 0.000 2.011) 2.556 9.367 ( -1.144 0.000 -2.962) 3.176 9.367 ( 1.144 0.000 2.962) 3.176 9.965 ( -1.850 0.000 -0.133) 1.855 9.965 ( 1.850 0.000 0.133) 1.855 10.349 ( -0.443 0.000 -2.415) 2.455 10.349 ( 0.443 0.000 2.415) 2.455 10.917 ( -4.023 0.000 0.928) 4.128 10.917 ( 4.023 0.000 -0.928) 4.128 11.245 ( -8.128 0.000 0.124) 8.129 11.245 ( 8.128 0.000 -0.124) 8.129 11.444 ( 1.246 0.000 -4.205) 4.385 11.444 ( -1.246 0.000 4.205) 4.385 13.089 ( 1.980 0.000 -1.376) 2.411 13.089 ( -1.980 0.000 1.376) 2.411 13.165 ( -2.616 0.000 -0.790) 2.732 13.165 ( 2.616 0.000 0.790) 2.732 20.145 ( 3.544 0.000 -2.085) 4.112 20.145 ( -3.544 0.000 2.085) 4.112 20.415 ( 0.339 0.000 -1.463) 1.501 20.415 ( -0.339 0.000 1.463) 1.501 23.852 ( 0.954 0.000 -2.223) 2.419 23.852 ( -0.954 0.000 2.223) 2.419 25.119 ( -9.028 0.000 0.313) 9.034 25.119 ( 9.028 0.000 -0.313) 9.034 26.116 ( -3.925 0.000 -0.650) 3.979 26.116 ( 3.925 0.000 0.650) 3.979 26.468 ( -2.966 0.000 -4.510) 5.398 26.468 ( 2.966 0.000 4.510) 5.398 27.187 ( -2.586 0.000 -2.997) 3.958 27.187 ( 2.586 0.000 2.997) 3.958 27.564 ( 1.449 0.000 -4.739) 4.956 27.564 ( -1.449 0.000 4.739) 4.956 28.155 ( -0.038 0.000 -0.696) 0.697 28.155 ( 0.038 0.000 0.696) 0.697 28.996 ( 10.551 0.000 -5.881) 12.080 28.996 ( -10.551 0.000 5.881) 12.080 38.800 ( -4.035 0.000 -1.619) 4.348 38.800 ( 4.035 0.000 1.619) 4.348 39.349 ( 3.840 0.000 -3.227) 5.016 39.349 ( -3.840 0.000 3.227) 5.016 73.353 ( 7.130 0.000 -4.480) 8.420 73.353 ( -7.130 0.000 4.480) 8.420 76.358 ( 1.026 0.000 -21.401) 21.426 76.358 ( -1.026 0.000 21.401) 21.426 ======================= Grid point 219 (106/128) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.858 0.000 -18.415) 18.435 1.145 ( 2.328 0.000 -23.418) 23.533 1.324 ( -0.124 0.000 16.234) 16.234 1.646 ( 4.471 0.000 16.390) 16.989 1.832 ( 2.844 0.000 -9.069) 9.505 1.932 ( 7.411 0.000 -11.524) 13.702 2.036 ( 5.032 0.000 2.101) 5.453 2.261 ( 7.215 0.000 18.043) 19.432 2.436 ( -0.482 0.000 0.916) 1.035 2.456 ( 1.510 0.000 -0.768) 1.694 2.766 ( -4.377 0.000 0.795) 4.449 2.933 ( -4.367 0.000 -3.493) 5.592 3.006 ( 0.063 0.000 0.476) 0.480 3.244 ( 1.917 0.000 -3.095) 3.640 3.409 ( 0.730 0.000 5.525) 5.573 3.430 ( 1.445 0.000 -6.052) 6.222 3.672 ( -3.149 0.000 2.960) 4.322 3.776 ( 1.687 0.000 1.993) 2.611 4.125 ( 3.620 0.000 -1.848) 4.064 4.335 ( 1.334 0.000 3.142) 3.414 4.621 ( -5.785 0.000 5.845) 8.224 4.720 ( -4.659 0.000 4.659) 6.589 4.800 ( -1.608 0.000 -0.775) 1.785 4.923 ( 13.355 0.000 -5.329) 14.379 5.035 ( -9.696 0.000 0.907) 9.739 5.051 ( 6.596 0.000 -9.239) 11.352 5.122 ( 3.677 0.000 1.704) 4.053 5.207 ( -1.603 0.000 -0.486) 1.675 5.521 ( 3.287 0.000 3.700) 4.949 5.539 ( 2.218 0.000 -1.701) 2.796 5.840 ( -10.745 0.000 -5.093) 11.891 5.935 ( -14.294 0.000 5.713) 15.393 6.204 ( 4.561 0.000 -3.097) 5.513 6.249 ( 4.081 0.000 -2.744) 4.917 7.362 ( -8.667 0.000 -2.367) 8.984 7.490 ( -4.086 0.000 1.807) 4.468 9.068 ( -2.744 0.000 -1.602) 3.178 9.115 ( -2.679 0.000 1.164) 2.922 9.224 ( -1.820 0.000 -2.563) 3.144 9.300 ( -0.762 0.000 2.087) 2.221 9.356 ( 1.289 0.000 -2.203) 2.553 9.437 ( 2.926 0.000 2.950) 4.155 9.908 ( -3.919 0.000 0.355) 3.935 9.977 ( -0.066 0.000 -1.029) 1.031 10.347 ( 2.533 0.000 -2.800) 3.776 10.371 ( -0.772 0.000 2.992) 3.090 10.859 ( -2.524 0.000 3.824) 4.581 10.965 ( 1.120 0.000 1.075) 1.552 11.144 ( -3.095 0.000 0.791) 3.194 11.377 ( 2.317 0.000 2.545) 3.442 11.470 ( 0.716 0.000 3.151) 3.232 11.486 ( 6.162 0.000 -4.068) 7.384 13.025 ( -3.901 0.000 -0.898) 4.003 13.101 ( 0.538 0.000 -0.397) 0.669 13.135 ( 0.004 0.000 -1.373) 1.373 13.216 ( 2.285 0.000 -0.731) 2.399 20.095 ( -2.994 0.000 1.784) 3.486 20.191 ( 3.101 0.000 -3.074) 4.367 20.435 ( 2.199 0.000 -0.417) 2.239 20.444 ( 1.161 0.000 3.394) 3.587 23.847 ( -1.324 0.000 2.238) 2.601 23.850 ( 0.399 0.000 -2.013) 2.052 24.988 ( -6.611 0.000 5.200) 8.411 25.295 ( 6.558 0.000 4.469) 7.936 26.041 ( -3.223 0.000 0.101) 3.225 26.137 ( -4.047 0.000 -0.784) 4.122 26.366 ( -3.198 0.000 -5.201) 6.106 26.536 ( 0.725 0.000 4.092) 4.155 27.197 ( 6.465 0.000 0.101) 6.466 27.273 ( 3.863 0.000 1.822) 4.271 27.555 ( 1.395 0.000 -4.681) 4.884 27.567 ( -1.582 0.000 4.009) 4.310 28.149 ( -0.127 0.000 -0.352) 0.374 28.162 ( 0.042 0.000 1.022) 1.022 28.764 ( -13.850 0.000 -1.707) 13.955 29.064 ( 2.821 0.000 -8.971) 9.404 38.753 ( -0.375 0.000 0.606) 0.712 38.901 ( 3.139 0.000 4.571) 5.545 39.324 ( -1.502 0.000 3.303) 3.629 39.426 ( 5.785 0.000 -1.751) 6.044 73.261 ( -5.461 0.000 3.677) 6.583 73.460 ( 7.524 0.000 -4.904) 8.981 76.295 ( 6.720 0.000 -17.818) 19.043 76.559 ( 1.159 0.000 29.156) 29.179 ======================= Grid point 220 (107/128) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 3.168 0.000 -16.191) 16.498 1.105 ( 9.077 0.000 -12.660) 15.578 1.456 ( 2.419 0.000 12.662) 12.891 1.728 ( -0.308 0.000 1.609) 1.638 1.947 ( 5.418 0.000 6.705) 8.620 2.073 ( 15.772 0.000 -12.504) 20.127 2.151 ( 6.065 0.000 -0.944) 6.139 2.374 ( -3.073 0.000 0.393) 3.098 2.470 ( 0.571 0.000 -0.902) 1.067 2.536 ( 5.432 0.000 13.504) 14.556 2.731 ( -1.101 0.000 3.201) 3.385 2.804 ( -2.104 0.000 -4.889) 5.323 3.059 ( 1.843 0.000 2.691) 3.262 3.137 ( -7.709 0.000 -8.029) 11.131 3.385 ( -1.164 0.000 -2.507) 2.764 3.482 ( 2.553 0.000 3.037) 3.968 3.640 ( -1.748 0.000 1.241) 2.144 3.876 ( 6.503 0.000 4.486) 7.901 4.266 ( 7.260 0.000 1.848) 7.491 4.273 ( -7.694 0.000 -2.127) 7.983 4.536 ( -5.340 0.000 1.595) 5.573 4.661 ( -9.862 0.000 4.620) 10.891 4.776 ( -0.372 0.000 2.030) 2.064 4.910 ( -0.368 0.000 4.242) 4.258 4.996 ( -3.196 0.000 -5.927) 6.734 5.155 ( 12.543 0.000 -6.730) 14.234 5.216 ( 4.578 0.000 0.977) 4.681 5.258 ( 4.782 0.000 1.048) 4.896 5.497 ( -4.545 0.000 -4.241) 6.216 5.615 ( 1.249 0.000 4.592) 4.759 5.680 ( -1.447 0.000 -3.612) 3.891 5.704 ( -11.287 0.000 3.462) 11.806 6.221 ( 0.424 0.000 -3.664) 3.688 6.264 ( -0.447 0.000 -1.272) 1.348 7.156 ( -10.774 0.000 -0.889) 10.810 7.383 ( -7.157 0.000 0.057) 7.157 9.015 ( -1.683 0.000 -0.804) 1.865 9.057 ( -3.715 0.000 1.032) 3.855 9.188 ( 0.021 0.000 -2.939) 2.939 9.296 ( -1.231 0.000 2.095) 2.430 9.370 ( 1.517 0.000 -1.383) 2.053 9.496 ( 0.792 0.000 3.057) 3.158 9.835 ( -4.202 0.000 1.575) 4.487 9.955 ( -0.706 0.000 -2.853) 2.939 10.375 ( -1.222 0.000 4.840) 4.992 10.399 ( 4.831 0.000 -3.073) 5.725 10.881 ( 1.183 0.000 3.651) 3.837 10.986 ( 0.122 0.000 1.890) 1.894 11.112 ( -0.950 0.000 -0.290) 0.993 11.411 ( 1.114 0.000 0.316) 1.158 11.497 ( -3.195 0.000 -4.015) 5.131 11.504 ( 0.550 0.000 2.413) 2.475 12.983 ( 1.343 0.000 -2.165) 2.548 13.110 ( 0.236 0.000 0.617) 0.661 13.127 ( 0.246 0.000 -1.687) 1.704 13.240 ( 0.984 0.000 -0.974) 1.385 20.063 ( -1.817 0.000 2.193) 2.848 20.215 ( 2.057 0.000 -3.901) 4.410 20.483 ( 2.831 0.000 -0.215) 2.839 20.493 ( 0.932 0.000 3.870) 3.980 23.836 ( -1.399 0.000 2.017) 2.454 23.839 ( -0.058 0.000 -1.715) 1.716 24.936 ( -4.212 0.000 7.653) 8.735 25.375 ( -1.764 0.000 1.198) 2.132 25.968 ( -7.115 0.000 -5.312) 8.879 25.998 ( -1.380 0.000 -0.095) 1.383 26.304 ( -0.030 0.000 -4.279) 4.279 26.548 ( -2.168 0.000 3.036) 3.731 27.353 ( 3.382 0.000 1.369) 3.649 27.377 ( 6.100 0.000 4.398) 7.520 27.563 ( -1.401 0.000 2.810) 3.140 27.579 ( 5.078 0.000 -1.293) 5.241 28.148 ( 0.141 0.000 0.216) 0.258 28.173 ( 0.300 0.000 1.173) 1.211 28.521 ( -7.640 0.000 -4.796) 9.020 29.002 ( -1.713 0.000 -8.948) 9.110 38.782 ( 2.481 0.000 0.786) 2.602 38.964 ( 0.301 0.000 3.885) 3.897 39.332 ( -0.313 0.000 3.300) 3.315 39.508 ( 3.075 0.000 -1.089) 3.263 73.206 ( -2.665 0.000 3.034) 4.039 73.550 ( 5.198 0.000 -4.977) 7.197 76.322 ( 8.317 0.000 -15.671) 17.741 76.737 ( -7.257 0.000 31.284) 32.115 ======================= Grid point 221 (108/128) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 10.797 0.000 -0.583) 10.812 1.250 ( 10.765 0.000 -4.346) 11.609 1.596 ( 5.992 0.000 4.395) 7.431 1.709 ( -0.655 0.000 -3.442) 3.504 2.045 ( -0.972 0.000 8.149) 8.207 2.191 ( -3.469 0.000 0.713) 3.541 2.300 ( 14.691 0.000 -8.862) 17.157 2.346 ( 2.598 0.000 -0.690) 2.688 2.481 ( 2.096 0.000 -1.654) 2.670 2.677 ( 2.149 0.000 4.154) 4.677 2.736 ( -1.104 0.000 0.614) 1.263 2.800 ( 2.382 0.000 -0.140) 2.386 2.967 ( -3.921 0.000 0.198) 3.926 3.107 ( 1.437 0.000 1.834) 2.330 3.350 ( -0.753 0.000 -2.723) 2.825 3.506 ( -1.394 0.000 -1.753) 2.240 3.630 ( 0.448 0.000 -0.410) 0.607 4.030 ( 5.198 0.000 1.192) 5.333 4.084 ( -7.479 0.000 -3.916) 8.442 4.279 ( -10.873 0.000 5.782) 12.315 4.476 ( -1.672 0.000 1.717) 2.397 4.545 ( 2.453 0.000 -2.290) 3.356 4.789 ( -1.447 0.000 2.364) 2.772 4.912 ( -1.795 0.000 -0.766) 1.952 4.988 ( 2.655 0.000 1.725) 3.166 5.245 ( -3.217 0.000 0.904) 3.341 5.307 ( -0.890 0.000 1.041) 1.370 5.313 ( 5.160 0.000 -1.023) 5.260 5.397 ( -3.473 0.000 1.910) 3.963 5.556 ( 1.869 0.000 -3.911) 4.334 5.667 ( 0.519 0.000 -0.448) 0.685 5.698 ( 0.631 0.000 2.426) 2.506 6.189 ( -0.667 0.000 -3.115) 3.186 6.233 ( -1.939 0.000 0.062) 1.940 6.978 ( -7.165 0.000 1.005) 7.235 7.239 ( -7.357 0.000 -1.062) 7.434 8.990 ( -0.827 0.000 0.043) 0.828 9.003 ( -2.568 0.000 0.945) 2.736 9.182 ( 1.659 0.000 -3.084) 3.502 9.285 ( -1.477 0.000 1.918) 2.420 9.392 ( 1.725 0.000 -0.958) 1.973 9.511 ( -1.533 0.000 3.254) 3.597 9.780 ( -3.037 0.000 2.581) 3.985 9.909 ( -1.379 0.000 -4.468) 4.676 10.404 ( -0.001 0.000 6.171) 6.171 10.470 ( 4.816 0.000 -3.776) 6.120 10.934 ( 1.584 0.000 3.021) 3.411 11.002 ( -0.045 0.000 2.532) 2.533 11.094 ( -0.528 0.000 -1.215) 1.325 11.333 ( -6.934 0.000 -8.445) 10.927 11.441 ( 0.805 0.000 1.254) 1.490 11.520 ( -0.461 0.000 1.708) 1.769 13.032 ( 4.363 0.000 -1.594) 4.645 13.115 ( -0.581 0.000 1.567) 1.671 13.122 ( 0.687 0.000 -1.602) 1.743 13.244 ( 0.243 0.000 -0.912) 0.944 20.059 ( -0.558 0.000 2.978) 3.030 20.210 ( 0.591 0.000 -4.426) 4.465 20.532 ( 2.381 0.000 -0.269) 2.396 20.532 ( 0.695 0.000 2.830) 2.914 23.824 ( -1.208 0.000 1.654) 2.048 23.825 ( -0.162 0.000 -1.388) 1.397 24.927 ( -3.217 0.000 8.840) 9.407 25.248 ( -6.455 0.000 -8.589) 10.744 25.890 ( 0.067 0.000 0.106) 0.126 25.980 ( -0.343 0.000 -0.810) 0.880 26.292 ( 1.547 0.000 -3.105) 3.469 26.504 ( -4.137 0.000 2.099) 4.639 27.421 ( 2.660 0.000 1.229) 2.930 27.434 ( 0.687 0.000 -0.279) 0.742 27.558 ( -0.793 0.000 1.929) 2.085 27.690 ( 3.167 0.000 1.365) 3.448 28.159 ( 0.540 0.000 0.767) 0.938 28.188 ( 0.350 0.000 0.949) 1.011 28.439 ( 0.455 0.000 1.419) 1.490 28.890 ( -3.071 0.000 -8.605) 9.136 38.844 ( 3.136 0.000 0.585) 3.191 38.979 ( -0.745 0.000 2.016) 2.149 39.358 ( 0.360 0.000 3.486) 3.504 39.522 ( 0.151 0.000 -2.722) 2.726 73.210 ( 0.878 0.000 2.754) 2.891 73.572 ( 0.674 0.000 -4.857) 4.904 76.371 ( 7.775 0.000 -13.089) 15.224 76.732 ( -13.482 0.000 23.960) 27.493 ======================= Grid point 222 (109/128) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 10.100 0.000 7.502) 12.581 1.396 ( 5.861 0.000 -0.293) 5.868 1.684 ( 2.755 0.000 -4.176) 5.003 1.745 ( 8.282 0.000 -2.506) 8.653 2.037 ( -5.135 0.000 6.578) 8.345 2.089 ( -6.796 0.000 0.316) 6.803 2.396 ( 0.656 0.000 1.870) 1.982 2.419 ( 2.105 0.000 -4.006) 4.525 2.566 ( 8.634 0.000 -3.071) 9.164 2.706 ( 0.654 0.000 -2.037) 2.140 2.716 ( 0.647 0.000 -0.400) 0.761 2.819 ( -0.832 0.000 -1.322) 1.562 3.009 ( 3.326 0.000 8.202) 8.851 3.158 ( 2.318 0.000 4.177) 4.777 3.314 ( -0.609 0.000 -3.875) 3.922 3.393 ( -6.566 0.000 -7.481) 9.954 3.652 ( 2.765 0.000 -0.363) 2.788 3.973 ( -9.670 0.000 -4.034) 10.478 4.002 ( 1.582 0.000 -3.109) 3.488 4.130 ( -7.094 0.000 7.172) 10.088 4.553 ( 5.763 0.000 6.031) 8.342 4.620 ( 6.583 0.000 -4.785) 8.138 4.747 ( -3.729 0.000 2.037) 4.249 4.883 ( -4.188 0.000 1.155) 4.344 5.027 ( 3.764 0.000 -5.109) 6.346 5.131 ( -7.770 0.000 7.802) 11.011 5.278 ( -1.049 0.000 -2.912) 3.095 5.318 ( -2.647 0.000 0.415) 2.679 5.443 ( 5.252 0.000 -0.976) 5.341 5.589 ( 0.124 0.000 -0.425) 0.443 5.683 ( -0.970 0.000 5.587) 5.671 5.704 ( 1.406 0.000 -4.261) 4.487 6.166 ( 0.505 0.000 -2.326) 2.380 6.200 ( -1.992 0.000 1.194) 2.322 6.918 ( -0.423 0.000 2.339) 2.377 7.096 ( -6.390 0.000 -1.769) 6.630 8.975 ( -0.960 0.000 0.565) 1.114 8.978 ( -0.589 0.000 0.224) 0.630 9.203 ( 2.650 0.000 -2.673) 3.764 9.266 ( -1.927 0.000 1.802) 2.638 9.422 ( 2.304 0.000 -1.394) 2.693 9.492 ( -2.774 0.000 3.224) 4.253 9.761 ( -1.326 0.000 3.648) 3.881 9.843 ( -1.549 0.000 -5.307) 5.529 10.457 ( 0.351 0.000 6.913) 6.921 10.514 ( 3.024 0.000 -5.187) 6.004 10.982 ( 1.309 0.000 2.917) 3.197 11.022 ( 0.028 0.000 2.845) 2.845 11.073 ( -0.524 0.000 -1.828) 1.901 11.153 ( -5.095 0.000 -7.271) 8.879 11.468 ( 1.243 0.000 0.454) 1.323 11.514 ( -1.182 0.000 1.012) 1.556 13.086 ( 2.528 0.000 -3.256) 4.122 13.110 ( -1.408 0.000 2.407) 2.788 13.148 ( 2.615 0.000 0.571) 2.677 13.235 ( -0.679 0.000 -0.840) 1.080 20.084 ( 0.442 0.000 3.824) 3.850 20.176 ( -0.557 0.000 -4.649) 4.683 20.561 ( 0.513 0.000 1.725) 1.800 20.565 ( 1.334 0.000 -0.502) 1.425 23.815 ( 0.066 0.000 -1.141) 1.143 23.815 ( -0.856 0.000 1.304) 1.559 24.940 ( -2.444 0.000 9.611) 9.917 25.080 ( -2.953 0.000 -10.970) 11.360 25.917 ( 1.032 0.000 2.342) 2.559 25.968 ( -0.093 0.000 -1.640) 1.642 26.315 ( 2.822 0.000 -2.231) 3.597 26.433 ( -4.524 0.000 1.682) 4.826 27.443 ( 0.863 0.000 -0.565) 1.031 27.461 ( 0.568 0.000 0.672) 0.880 27.574 ( 1.230 0.000 2.216) 2.534 27.694 ( -1.545 0.000 -2.140) 2.639 28.174 ( 0.668 0.000 0.297) 0.731 28.196 ( -0.136 0.000 0.437) 0.458 28.522 ( 3.433 0.000 7.549) 8.293 28.768 ( -3.063 0.000 -8.597) 9.126 38.902 ( 2.548 0.000 0.427) 2.584 38.970 ( -1.143 0.000 0.642) 1.311 39.396 ( 0.812 0.000 3.745) 3.832 39.489 ( -0.855 0.000 -3.777) 3.873 73.278 ( 3.987 0.000 2.899) 4.930 73.509 ( -3.519 0.000 -4.258) 5.524 76.429 ( 7.791 0.000 -11.295) 13.721 76.620 ( -12.630 0.000 16.147) 20.500 ======================= Grid point 223 (110/128) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.476 0.000 -1.942) 2.439 1.462 ( -1.476 0.000 1.942) 2.439 1.797 ( -4.550 0.000 -2.857) 5.372 1.797 ( 4.550 0.000 2.857) 5.372 1.985 ( 1.191 0.000 -3.465) 3.663 1.985 ( -1.190 0.000 3.465) 3.663 2.406 ( 0.836 0.000 -3.827) 3.917 2.406 ( -0.836 0.000 3.827) 3.917 2.677 ( -2.679 0.000 -1.679) 3.161 2.677 ( 2.679 0.000 1.679) 3.161 2.763 ( -3.188 0.000 -1.299) 3.442 2.763 ( 3.188 0.000 1.298) 3.442 3.172 ( -6.728 0.000 -6.506) 9.359 3.172 ( 6.728 0.000 6.506) 9.359 3.262 ( -1.696 0.000 -2.606) 3.109 3.262 ( 1.696 0.000 2.606) 3.109 3.761 ( -9.054 0.000 -0.290) 9.059 3.761 ( 9.054 0.000 0.290) 9.059 4.053 ( 5.398 0.000 -3.926) 6.674 4.053 ( -5.398 0.000 3.926) 6.674 4.682 ( -4.434 0.000 0.378) 4.450 4.682 ( 4.434 0.000 -0.378) 4.450 4.749 ( -9.333 0.000 1.464) 9.447 4.749 ( 9.333 0.000 -1.464) 9.447 5.072 ( 5.360 0.000 -6.840) 8.690 5.072 ( -5.360 0.000 6.840) 8.690 5.271 ( 2.600 0.000 -2.164) 3.383 5.271 ( -2.600 0.000 2.164) 3.383 5.534 ( 6.440 0.000 -4.819) 8.043 5.534 ( -6.440 0.000 4.819) 8.043 5.701 ( 2.920 0.000 -8.834) 9.304 5.701 ( -2.920 0.000 8.834) 9.304 6.174 ( 1.819 0.000 -1.868) 2.607 6.174 ( -1.819 0.000 1.868) 2.607 6.977 ( -4.242 0.000 -2.366) 4.857 6.977 ( 4.242 0.000 2.366) 4.857 8.971 ( -0.163 0.000 -0.086) 0.184 8.971 ( 0.163 0.000 0.086) 0.184 9.237 ( 2.566 0.000 -2.071) 3.297 9.237 ( -2.566 0.000 2.071) 3.297 9.458 ( 2.878 0.000 -2.500) 3.812 9.458 ( -2.878 0.000 2.500) 3.812 9.784 ( -0.466 0.000 -4.863) 4.886 9.784 ( 0.466 0.000 4.863) 4.886 10.506 ( 0.756 0.000 -6.639) 6.682 10.506 ( -0.756 0.000 6.639) 6.682 11.033 ( -1.651 0.000 -1.113) 1.992 11.033 ( 1.651 0.000 1.113) 1.992 11.054 ( -0.296 0.000 -0.849) 0.899 11.054 ( 0.296 0.000 0.849) 0.899 11.494 ( -1.360 0.000 0.276) 1.388 11.494 ( 1.360 0.000 -0.276) 1.388 13.100 ( 1.744 0.000 -3.112) 3.567 13.100 ( -1.744 0.000 3.112) 3.567 13.203 ( -2.100 0.000 -0.871) 2.274 13.203 ( 2.100 0.000 0.871) 2.274 20.128 ( -0.889 0.000 -4.443) 4.532 20.128 ( 0.889 0.000 4.443) 4.532 20.574 ( 0.209 0.000 -0.965) 0.987 20.574 ( -0.209 0.000 0.965) 0.987 23.811 ( 0.448 0.000 -1.105) 1.192 23.811 ( -0.448 0.000 1.105) 1.192 24.982 ( 0.557 0.000 -10.390) 10.405 24.982 ( -0.557 0.000 10.390) 10.405 25.949 ( -0.454 0.000 -2.295) 2.340 25.949 ( 0.454 0.000 2.295) 2.340 26.365 ( 3.881 0.000 -1.750) 4.258 26.365 ( -3.881 0.000 1.750) 4.258 27.458 ( 0.878 0.000 -0.323) 0.935 27.458 ( -0.878 0.000 0.323) 0.935 27.632 ( -2.511 0.000 -2.826) 3.781 27.632 ( 2.511 0.000 2.826) 3.781 28.189 ( -0.654 0.000 -0.004) 0.654 28.189 ( 0.654 0.000 0.004) 0.654 28.647 ( -3.143 0.000 -8.729) 9.278 28.647 ( 3.143 0.000 8.729) 9.278 38.945 ( -1.712 0.000 -0.109) 1.716 38.945 ( 1.712 0.000 0.109) 1.716 39.442 ( -1.019 0.000 -3.939) 4.069 39.442 ( 1.019 0.000 3.939) 4.069 73.393 ( -5.217 0.000 -3.461) 6.260 73.393 ( 5.217 0.000 3.461) 6.260 76.509 ( 9.590 0.000 -11.922) 15.300 76.509 ( -9.590 0.000 11.922) 15.300 ======================= Grid point 229 (111/128) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -3.347 -12.884 -13.426) 18.907 1.142 ( 3.347 -12.884 13.426) 18.907 1.365 ( 1.299 7.710 -8.665) 11.671 1.365 ( -1.299 7.710 8.665) 11.671 1.827 ( -5.929 -10.581 -2.087) 12.307 1.827 ( 5.929 -10.581 2.087) 12.307 2.172 ( -2.286 12.722 -18.969) 22.955 2.172 ( 2.286 12.722 18.969) 22.955 2.477 ( 0.582 1.681 -1.989) 2.668 2.477 ( -0.582 1.681 1.989) 2.668 2.906 ( -6.656 3.746 -0.412) 7.649 2.906 ( 6.656 3.746 0.412) 7.649 3.108 ( -4.275 -1.729 -3.395) 5.727 3.108 ( 4.275 -1.729 3.395) 5.727 3.431 ( 3.180 1.752 -4.925) 6.119 3.431 ( -3.180 1.752 4.925) 6.119 3.781 ( -3.931 4.627 -3.646) 7.082 3.781 ( 3.931 4.627 3.646) 7.082 4.188 ( -6.381 -2.227 -3.643) 7.678 4.188 ( 6.381 -2.227 3.643) 7.678 4.632 ( 4.870 -4.959 -5.717) 8.999 4.632 ( -4.870 -4.959 5.717) 8.999 4.848 ( 3.364 2.053 -4.468) 5.958 4.848 ( -3.364 2.053 4.468) 5.958 5.027 ( -7.350 0.066 -1.002) 7.418 5.027 ( 7.350 0.066 1.002) 7.418 5.258 ( -2.409 4.308 -5.750) 7.578 5.258 ( 2.409 4.308 5.750) 7.578 5.503 ( 1.283 1.455 -2.268) 2.985 5.503 ( -1.283 1.455 2.268) 2.985 6.001 ( -7.327 -6.408 -3.166) 10.235 6.001 ( 7.327 -6.408 3.166) 10.235 6.110 ( 9.506 -2.039 -4.048) 10.531 6.110 ( -9.506 -2.039 4.048) 10.531 7.429 ( -2.111 -5.223 -1.906) 5.947 7.429 ( 2.111 -5.223 1.906) 5.947 9.129 ( -0.579 0.730 -1.235) 1.547 9.129 ( 0.579 0.730 1.235) 1.547 9.280 ( -1.437 -0.277 -2.254) 2.688 9.280 ( 1.437 -0.277 2.254) 2.688 9.348 ( -0.669 -1.491 -2.321) 2.838 9.348 ( 0.669 -1.491 2.321) 2.838 9.958 ( 1.345 0.020 -2.947) 3.240 9.958 ( -1.345 0.020 2.947) 3.240 10.392 ( -0.818 2.359 -1.109) 2.732 10.392 ( 0.818 2.359 1.109) 2.732 10.855 ( 2.760 -3.752 -2.693) 5.380 10.855 ( -2.760 -3.752 2.693) 5.380 11.321 ( -7.832 4.781 -0.534) 9.192 11.321 ( 7.832 4.781 0.534) 9.192 11.505 ( -1.421 5.326 -1.218) 5.645 11.505 ( 1.421 5.326 1.218) 5.645 13.089 ( -2.018 0.086 -3.049) 3.658 13.089 ( 2.018 0.086 3.049) 3.658 13.167 ( -2.847 0.197 -0.912) 2.996 13.167 ( 2.847 0.197 0.912) 2.996 20.154 ( 3.038 0.529 -2.398) 3.907 20.154 ( -3.038 0.529 2.398) 3.907 20.462 ( 0.450 3.962 -1.453) 4.244 20.462 ( -0.450 3.962 1.453) 4.244 23.842 ( 0.702 -0.818 -2.145) 2.400 23.842 ( -0.702 -0.818 2.145) 2.400 25.089 ( -3.413 -2.353 -1.085) 4.285 25.089 ( 3.413 -2.353 1.085) 4.285 26.128 ( -3.736 0.912 -3.208) 5.009 26.128 ( 3.736 0.912 3.208) 5.009 26.469 ( -2.382 0.084 -3.654) 4.363 26.469 ( 2.382 0.084 3.654) 4.363 27.233 ( -2.599 4.099 -3.970) 6.270 27.233 ( 2.599 4.099 3.970) 6.270 27.555 ( 0.962 -0.937 -4.908) 5.089 27.555 ( -0.962 -0.937 4.908) 5.089 28.152 ( -0.053 -0.252 -0.517) 0.578 28.152 ( 0.053 -0.252 0.517) 0.578 28.932 ( 8.603 -5.264 -3.834) 10.790 28.932 ( -8.603 -5.264 3.834) 10.790 38.796 ( -2.865 -0.226 -1.275) 3.144 38.796 ( 2.865 -0.226 1.275) 3.144 39.345 ( 3.060 -0.354 -2.923) 4.247 39.345 ( -3.060 -0.354 2.923) 4.247 73.401 ( 4.421 3.496 -5.161) 7.642 73.401 ( -4.421 3.496 5.161) 7.642 76.598 ( -3.407 19.817 -13.473) 24.204 76.598 ( 3.407 19.817 13.473) 24.204 ======================= Grid point 231 (112/128) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.512 -6.474 -15.379) 16.755 1.209 ( 2.060 -2.245 -11.339) 11.741 1.383 ( -0.843 -4.163 6.008) 7.357 1.508 ( 7.014 5.075 14.079) 16.528 1.715 ( -2.319 -9.596 -0.946) 9.917 1.943 ( 6.832 -4.924 -3.225) 9.018 2.111 ( 7.668 6.292 -10.902) 14.739 2.377 ( 3.559 4.364 11.215) 12.549 2.454 ( -2.627 3.793 1.121) 4.748 2.470 ( 0.353 1.378 1.437) 2.022 2.773 ( -6.175 2.118 1.247) 6.646 2.979 ( 0.564 4.780 -4.608) 6.663 3.062 ( 1.961 5.273 1.770) 5.898 3.197 ( 2.276 -3.133 1.250) 4.069 3.454 ( 1.017 1.312 3.561) 3.929 3.483 ( 4.349 2.784 -2.821) 5.884 3.640 ( -7.531 1.931 -2.642) 8.211 3.859 ( 1.613 4.832 2.272) 5.578 4.098 ( 1.954 -2.334 -1.275) 3.300 4.288 ( 0.222 -3.719 1.581) 4.047 4.582 ( -2.461 -2.836 5.007) 6.258 4.667 ( -2.804 -3.745 0.951) 4.774 4.794 ( -2.903 -4.735 -0.364) 5.566 4.852 ( -0.734 -0.291 2.053) 2.200 5.043 ( 11.120 1.240 -9.700) 14.808 5.112 ( -5.048 3.575 -3.431) 7.073 5.165 ( 4.676 2.562 -0.540) 5.359 5.311 ( -1.202 8.250 5.838) 10.177 5.516 ( 0.101 -0.932 0.085) 0.941 5.553 ( 4.412 1.676 0.222) 4.725 5.788 ( -9.419 -4.414 -5.768) 11.894 5.911 ( -13.554 -2.514 5.228) 14.744 6.132 ( 3.932 -5.013 -0.206) 6.375 6.220 ( 4.119 -3.076 -2.440) 5.690 7.301 ( -8.372 -4.585 -0.722) 9.573 7.452 ( -1.682 -3.655 -0.030) 4.024 9.082 ( -2.908 1.235 -1.023) 3.321 9.118 ( -2.500 0.369 0.745) 2.634 9.222 ( -1.852 -0.050 -2.314) 2.964 9.297 ( -0.911 -0.393 2.299) 2.504 9.346 ( 1.501 -0.847 -1.911) 2.574 9.406 ( 2.775 -2.464 2.076) 4.252 9.927 ( -3.388 1.387 2.321) 4.335 9.960 ( 0.201 -0.506 -1.580) 1.671 10.366 ( 0.495 1.144 -1.044) 1.626 10.422 ( 0.362 2.788 -0.124) 2.815 10.837 ( -0.758 -1.452 3.270) 3.658 10.886 ( 2.043 -4.773 -1.597) 5.432 11.193 ( -5.246 4.392 1.886) 7.097 11.445 ( 2.485 -0.078 -1.715) 3.020 11.493 ( 0.762 7.630 3.669) 8.501 11.571 ( 3.838 4.862 0.048) 6.195 13.017 ( -2.485 -0.280 -2.392) 3.460 13.113 ( -1.541 0.458 -0.655) 1.736 13.144 ( 1.070 0.925 1.266) 1.898 13.223 ( 2.394 0.581 0.044) 2.464 20.111 ( -2.999 1.233 2.140) 3.885 20.186 ( 2.318 -0.541 -2.876) 3.734 20.465 ( 0.769 3.227 1.504) 3.643 20.501 ( 2.177 4.174 1.174) 4.852 23.837 ( 0.192 -0.799 -1.381) 1.607 23.842 ( -0.781 -0.523 1.745) 1.982 24.988 ( -5.506 -0.013 4.294) 6.982 25.220 ( 5.457 -6.002 1.446) 8.240 26.018 ( -4.598 -0.060 -2.623) 5.295 26.178 ( -1.553 1.262 1.390) 2.437 26.388 ( -3.499 2.078 -3.122) 5.130 26.527 ( 0.527 -0.775 3.948) 4.058 27.189 ( 1.820 0.912 -0.670) 2.143 27.355 ( 6.070 5.535 2.660) 8.635 27.508 ( -1.877 -2.753 -1.199) 3.541 27.598 ( 1.954 1.130 0.693) 2.361 28.148 ( -0.057 -0.088 -0.149) 0.182 28.159 ( 0.181 -0.247 0.817) 0.873 28.737 ( -11.143 -2.035 -2.040) 11.510 29.000 ( 2.709 -5.624 -7.225) 9.548 38.763 ( -0.092 0.859 0.634) 1.072 38.879 ( 3.014 -1.795 3.281) 4.803 39.326 ( -1.165 0.134 2.796) 3.032 39.406 ( 4.900 -1.618 -2.166) 5.596 73.322 ( -5.158 4.573 3.568) 7.762 73.486 ( 5.881 1.710 -4.051) 7.343 76.462 ( -1.703 15.738 -6.403) 17.076 76.802 ( 2.162 18.217 19.709) 26.925 ======================= Grid point 232 (113/128) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 8.294 1.038 -8.373) 11.831 1.169 ( 6.897 2.425 -16.341) 17.902 1.400 ( -1.388 -7.429 8.036) 11.031 1.689 ( 2.719 -2.250 3.677) 5.097 1.802 ( 8.419 -4.401 8.410) 12.687 2.096 ( 11.521 -0.456 -4.934) 12.541 2.193 ( 3.476 -4.912 -3.701) 7.064 2.341 ( -2.011 -2.405 -2.427) 3.965 2.436 ( -0.298 2.760 -1.841) 3.331 2.584 ( 2.319 2.700 7.488) 8.290 2.719 ( -0.460 3.530 4.192) 5.500 2.956 ( 0.444 7.920 -3.419) 8.638 3.109 ( 0.487 5.482 2.759) 6.156 3.175 ( -4.401 1.636 -3.899) 6.103 3.388 ( -4.514 1.371 -2.501) 5.340 3.547 ( 1.480 4.976 2.086) 5.595 3.596 ( 2.173 -2.732 0.971) 3.623 3.909 ( 3.118 2.438 1.519) 4.239 4.194 ( 1.434 -6.012 -0.069) 6.181 4.253 ( 0.917 -1.191 0.837) 1.721 4.539 ( -4.985 -0.074 0.190) 4.989 4.588 ( -8.692 -4.276 2.223) 9.939 4.717 ( -1.407 -5.677 5.186) 7.817 4.951 ( 4.793 -5.273 -0.212) 7.129 4.976 ( -3.161 3.693 -1.417) 5.064 5.161 ( 3.204 4.616 -4.612) 7.270 5.269 ( 9.077 3.090 -2.984) 10.042 5.344 ( 0.719 6.380 2.820) 7.012 5.447 ( -5.357 -4.391 -3.870) 7.935 5.610 ( -6.982 -2.428 0.213) 7.395 5.645 ( 2.450 -0.093 0.337) 2.475 5.718 ( -6.949 0.283 3.600) 7.832 6.168 ( 0.948 -4.054 -1.414) 4.397 6.234 ( -0.873 -3.352 -1.475) 3.764 7.130 ( -8.446 -1.492 -0.316) 8.583 7.378 ( -5.423 -1.134 -0.504) 5.563 9.020 ( -2.660 0.548 -0.432) 2.750 9.061 ( -3.504 0.399 0.637) 3.584 9.186 ( -0.137 0.034 -2.685) 2.689 9.291 ( -1.356 -0.537 2.237) 2.670 9.366 ( 1.767 -0.447 -1.345) 2.265 9.460 ( 1.066 -2.935 2.214) 3.828 9.870 ( -4.322 2.483 3.071) 5.854 9.945 ( -0.101 -0.172 -2.751) 2.759 10.395 ( 3.245 -0.503 -1.673) 3.686 10.414 ( -1.142 2.414 1.748) 3.192 10.871 ( 1.646 -0.843 2.206) 2.879 10.913 ( 1.708 -4.341 -0.362) 4.679 11.136 ( -2.718 2.886 1.890) 4.392 11.433 ( -0.471 -0.247 -3.924) 3.959 11.543 ( 0.503 5.494 4.041) 6.839 11.593 ( -1.764 5.503 -0.586) 5.808 12.988 ( 1.532 0.530 -2.052) 2.615 13.095 ( 0.263 -0.663 -1.178) 1.378 13.154 ( -0.766 1.666 0.990) 2.084 13.256 ( 1.104 1.239 -0.209) 1.672 20.078 ( -2.045 1.273 2.269) 3.309 20.200 ( 1.439 -1.330 -3.236) 3.783 20.503 ( 1.641 2.511 1.889) 3.545 20.546 ( 1.440 3.635 1.219) 4.096 23.830 ( -0.052 -0.454 -0.951) 1.055 23.838 ( -0.881 -0.063 1.442) 1.691 24.938 ( -3.909 0.300 6.157) 7.300 25.273 ( -0.763 -8.033 -1.527) 8.212 25.929 ( -2.569 0.346 -2.109) 3.342 26.101 ( -5.059 3.892 -0.693) 6.421 26.316 ( -0.949 1.710 -3.485) 3.996 26.536 ( -2.284 -1.144 2.929) 3.887 27.263 ( 3.973 -3.233 1.451) 5.324 27.440 ( -0.756 -1.721 -0.155) 1.887 27.525 ( 4.309 2.735 3.508) 6.193 27.655 ( 4.008 3.160 1.451) 5.306 28.150 ( 0.284 0.229 0.438) 0.570 28.173 ( 0.595 -0.014 1.178) 1.320 28.533 ( -6.702 1.327 -4.407) 8.130 28.951 ( -1.409 -4.656 -7.961) 9.329 38.792 ( 2.281 0.870 0.778) 2.563 38.939 ( 0.747 -2.157 3.132) 3.875 39.335 ( -0.061 0.318 2.788) 2.806 39.475 ( 3.299 -2.628 -1.817) 4.592 73.264 ( -3.082 4.669 2.774) 6.245 73.552 ( 3.879 -0.158 -4.123) 5.663 76.425 ( 2.194 10.493 -6.538) 12.556 76.903 ( -8.707 11.991 22.991) 27.353 ======================= Grid point 233 (114/128) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 11.006 6.064 1.743) 12.687 1.276 ( 12.712 0.913 -9.070) 15.642 1.467 ( 3.895 -8.940 4.016) 10.547 1.737 ( 2.166 0.361 -2.997) 3.715 2.001 ( 3.743 -1.497 9.135) 9.984 2.156 ( -1.018 -6.317 -0.800) 6.448 2.269 ( 5.626 -3.481 0.874) 6.673 2.364 ( 5.478 1.804 -6.549) 8.727 2.415 ( 0.274 -1.299 -2.337) 2.688 2.600 ( -1.704 -3.603 -0.450) 4.011 2.813 ( 4.201 5.857 5.772) 9.234 2.930 ( -0.700 6.619 -3.146) 7.362 3.038 ( -4.083 5.342 -1.089) 6.811 3.148 ( 0.150 4.570 4.148) 6.174 3.326 ( -1.299 -1.129 -2.392) 2.946 3.553 ( -1.733 3.378 -0.919) 3.907 3.634 ( 1.498 0.197 -0.092) 1.514 3.977 ( 2.091 -2.596 -0.614) 3.390 4.111 ( -3.830 0.642 -2.239) 4.482 4.304 ( -8.133 1.785 5.324) 9.884 4.440 ( -0.320 -6.528 0.122) 6.537 4.477 ( 0.527 -0.200 -1.615) 1.710 4.750 ( -0.276 -6.608 2.876) 7.212 4.887 ( -3.519 -0.707 -2.129) 4.173 5.057 ( 4.592 3.729 2.112) 6.281 5.198 ( -0.072 -1.464 0.827) 1.683 5.287 ( -6.694 -4.116 3.259) 8.507 5.359 ( -3.038 2.694 -0.252) 4.068 5.378 ( 1.170 1.539 -1.213) 2.282 5.507 ( 2.901 -3.370 -3.737) 5.808 5.676 ( 0.600 -0.007 0.214) 0.637 5.705 ( 0.091 0.535 1.842) 1.920 6.165 ( 0.033 -3.041 -1.066) 3.222 6.185 ( -2.582 -3.361 -1.064) 4.370 7.002 ( -4.732 2.439 0.865) 5.393 7.256 ( -6.462 1.032 -0.967) 6.615 8.979 ( -1.694 -0.726 0.403) 1.886 9.007 ( -2.417 0.157 0.315) 2.442 9.177 ( 1.327 -0.143 -2.736) 3.045 9.278 ( -1.582 -0.652 1.973) 2.612 9.391 ( 1.719 -0.235 -1.044) 2.025 9.478 ( -0.925 -2.728 2.442) 3.776 9.818 ( -3.392 2.911 3.369) 5.598 9.912 ( -0.818 0.521 -4.054) 4.168 10.417 ( -0.205 0.762 3.029) 3.130 10.449 ( 3.360 -1.769 -1.898) 4.245 10.911 ( 1.206 -2.200 0.921) 2.672 10.949 ( 1.729 -2.934 0.726) 3.482 11.106 ( -1.741 2.521 1.434) 3.383 11.357 ( -3.788 0.416 -6.032) 7.135 11.544 ( -1.470 6.137 -0.535) 6.333 11.567 ( -0.688 5.461 3.069) 6.302 13.035 ( 4.032 0.245 -1.707) 4.385 13.102 ( 1.236 -0.777 -0.805) 1.667 13.139 ( -1.363 1.368 1.170) 2.258 13.261 ( -0.224 1.183 -0.454) 1.287 20.069 ( -0.822 0.862 2.724) 2.973 20.192 ( 0.329 -1.542 -3.574) 3.906 20.546 ( 1.302 1.941 1.944) 3.040 20.574 ( 1.021 2.718 0.134) 2.906 23.823 ( -0.087 0.039 -0.618) 0.626 23.831 ( -0.789 0.396 1.033) 1.359 24.921 ( -3.103 -0.446 7.131) 7.790 25.177 ( -4.551 -5.854 -7.432) 10.498 25.906 ( 0.438 1.692 0.795) 1.920 26.025 ( -2.204 2.972 -1.161) 3.878 26.298 ( 1.136 0.753 -2.596) 2.932 26.490 ( -4.049 -1.296 1.922) 4.666 27.329 ( 2.093 -4.339 0.633) 4.858 27.416 ( -0.873 -4.224 -0.476) 4.340 27.602 ( 2.023 4.606 2.130) 5.462 27.753 ( 2.946 3.594 1.873) 5.010 28.166 ( 0.639 0.551 1.005) 1.312 28.199 ( 0.897 0.930 1.482) 1.966 28.446 ( -0.500 0.888 0.046) 1.020 28.849 ( -2.839 -3.743 -8.037) 9.309 38.848 ( 2.749 0.340 0.588) 2.831 38.958 ( -0.378 -1.805 1.758) 2.548 39.361 ( 0.542 0.364 2.951) 3.022 39.497 ( 0.811 -2.114 -2.732) 3.548 73.254 ( 0.200 3.798 2.288) 4.439 73.563 ( 0.217 -1.012 -4.059) 4.189 76.435 ( 3.813 6.499 -6.895) 10.214 76.822 ( -14.281 6.580 17.961) 23.872 ======================= Grid point 234 (115/128) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.060 3.749 5.621) 10.517 1.450 ( 8.565 3.133 -1.429) 9.232 1.601 ( 9.086 -5.435 -0.420) 10.596 1.762 ( 4.901 1.223 -4.186) 6.560 2.028 ( -5.579 -0.609 4.379) 7.119 2.108 ( -6.014 2.149 1.366) 6.531 2.353 ( 2.203 -4.888 1.190) 5.493 2.383 ( 0.145 -2.255 -3.703) 4.338 2.458 ( 7.116 -6.420 -3.209) 10.107 2.580 ( 0.974 -5.738 -1.676) 6.056 2.865 ( -0.988 6.951 0.896) 7.078 2.915 ( -0.699 6.181 -3.209) 7.000 3.039 ( 3.576 3.737 6.495) 8.303 3.189 ( 0.393 2.430 5.732) 6.238 3.287 ( -0.406 -1.877 -4.058) 4.490 3.448 ( -7.002 4.205 -4.947) 9.549 3.678 ( 3.424 1.954 1.209) 4.123 3.950 ( -3.652 -2.160 -5.758) 7.153 4.039 ( -0.838 2.861 -1.537) 3.354 4.153 ( -8.058 2.336 5.982) 10.304 4.492 ( 2.479 -4.816 5.269) 7.556 4.550 ( 6.215 -4.288 -4.019) 8.553 4.746 ( -0.184 -4.369 -0.429) 4.394 4.822 ( -1.519 -1.622 -2.429) 3.292 5.098 ( -6.472 -3.206 4.308) 8.410 5.106 ( -5.961 3.425 0.917) 6.936 5.237 ( 1.651 -3.044 2.946) 4.546 5.348 ( 0.609 1.360 -0.134) 1.496 5.402 ( 3.250 -0.499 -2.740) 4.280 5.541 ( -0.362 -2.696 -0.573) 2.780 5.695 ( -0.177 -0.024 3.067) 3.072 5.703 ( 0.732 -0.549 -2.772) 2.919 6.144 ( -0.508 -2.612 -1.262) 2.945 6.157 ( -0.680 -3.075 0.338) 3.167 6.969 ( 0.167 4.352 1.755) 4.696 7.129 ( -5.784 2.634 -1.422) 6.512 8.960 ( -0.769 -1.238 0.776) 1.651 8.975 ( -1.074 -0.507 -0.194) 1.203 9.195 ( 2.329 -0.490 -2.337) 3.336 9.258 ( -2.032 -0.737 1.713) 2.758 9.416 ( 1.811 -0.538 -1.187) 2.231 9.466 ( -1.934 -2.066 2.359) 3.684 9.795 ( -1.697 2.780 3.885) 5.069 9.859 ( -1.083 1.406 -4.848) 5.162 10.446 ( 0.288 -1.031 4.099) 4.236 10.484 ( 1.963 -2.599 -3.084) 4.485 10.935 ( 0.697 -2.614 1.085) 2.915 10.972 ( 0.291 -2.874 -0.570) 2.944 11.100 ( 0.118 3.358 2.127) 3.977 11.235 ( -3.875 3.123 -5.227) 7.217 11.534 ( 0.497 5.114 -0.369) 5.152 11.565 ( -1.344 4.942 1.867) 5.451 13.084 ( 2.695 -0.046 -3.224) 4.203 13.120 ( -1.655 1.034 2.494) 3.167 13.142 ( 2.809 -0.480 0.421) 2.881 13.242 ( -1.356 0.446 -0.605) 1.550 20.086 ( 0.204 0.202 3.302) 3.314 20.162 ( -0.547 -1.200 -3.810) 4.032 20.577 ( 0.527 1.560 1.767) 2.416 20.589 ( 0.819 1.849 -0.805) 2.177 23.819 ( 0.088 0.477 -0.458) 0.667 23.824 ( -0.586 0.689 0.692) 1.139 24.924 ( -2.164 -1.310 7.746) 8.148 25.042 ( -2.570 -3.269 -8.940) 9.860 25.934 ( 0.980 1.562 2.144) 2.828 25.990 ( -0.739 1.729 -1.581) 2.456 26.316 ( 2.391 0.139 -1.899) 3.056 26.422 ( -4.211 -1.061 1.486) 4.590 27.360 ( 1.193 -4.647 0.062) 4.798 27.400 ( -0.740 -4.920 -0.200) 4.980 27.657 ( 2.348 5.775 2.004) 6.548 27.768 ( -1.049 4.747 -1.265) 5.023 28.185 ( 0.709 0.975 0.819) 1.457 28.213 ( -0.045 1.773 0.118) 1.778 28.503 ( 2.989 -1.657 6.344) 7.206 28.734 ( -2.991 -3.159 -8.142) 9.232 38.899 ( 2.172 -0.329 0.405) 2.234 38.954 ( -0.871 -1.374 0.605) 1.735 39.397 ( 0.851 0.194 3.195) 3.312 39.476 ( -0.421 -1.097 -3.368) 3.567 73.305 ( 3.267 2.377 2.344) 4.671 73.504 ( -3.247 -0.539 -3.548) 4.839 76.470 ( 5.349 3.938 -7.059) 9.693 76.668 ( -12.451 3.660 11.964) 17.652 ======================= Grid point 235 (116/128) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.689 2.567 -3.668) 4.529 1.507 ( -0.689 2.567 3.668) 4.529 1.799 ( -4.903 1.085 -1.913) 5.374 1.799 ( 4.903 1.085 1.913) 5.374 1.971 ( -0.319 -0.402 -1.774) 1.847 1.971 ( 0.319 -0.402 1.774) 1.847 2.369 ( 0.704 -3.686 -2.242) 4.371 2.369 ( -0.704 -3.686 2.242) 4.371 2.564 ( -0.102 -6.391 -3.134) 7.118 2.564 ( 0.103 -6.391 3.134) 7.118 2.868 ( -0.616 5.858 -2.519) 6.406 2.868 ( 0.616 5.858 2.519) 6.406 3.193 ( -3.537 1.477 -5.961) 7.087 3.193 ( 3.537 1.477 5.961) 7.087 3.279 ( -2.336 2.239 -3.854) 5.033 3.279 ( 2.336 2.239 3.854) 5.033 3.794 ( -5.457 2.090 -4.209) 7.202 3.794 ( 5.457 2.090 4.209) 7.202 4.072 ( 4.446 1.852 -3.901) 6.198 4.072 ( -4.446 1.852 3.901) 6.198 4.574 ( -0.641 -6.371 -4.840) 8.026 4.574 ( 0.641 -6.371 4.840) 8.026 4.774 ( -2.441 -1.098 -1.299) 2.975 4.774 ( 2.441 -1.098 1.299) 2.975 5.032 ( 1.241 -3.324 -4.561) 5.778 5.032 ( -1.241 -3.324 4.561) 5.778 5.314 ( -1.461 3.133 -3.572) 4.971 5.314 ( 1.461 3.133 3.572) 4.971 5.478 ( 1.982 -2.982 -3.206) 4.806 5.478 ( -1.982 -2.982 3.206) 4.806 5.704 ( 3.495 -0.598 -9.341) 9.991 5.704 ( -3.495 -0.598 9.341) 9.991 6.144 ( 1.104 -2.715 -2.183) 3.655 6.144 ( -1.104 -2.715 2.183) 3.655 7.023 ( -3.725 3.918 -1.892) 5.728 7.023 ( 3.725 3.918 1.892) 5.728 8.960 ( -0.201 -1.072 -0.577) 1.234 8.960 ( 0.201 -1.072 0.577) 1.234 9.227 ( 2.407 -0.727 -1.880) 3.140 9.227 ( -2.407 -0.727 1.880) 3.140 9.443 ( 1.845 -1.253 -1.995) 2.992 9.443 ( -1.845 -1.253 1.995) 2.992 9.811 ( -0.075 2.242 -4.626) 5.141 9.811 ( 0.075 2.242 4.626) 5.141 10.478 ( 0.585 -2.342 -4.524) 5.128 10.478 ( -0.585 -2.342 4.524) 5.128 10.957 ( -0.314 -2.600 -1.854) 3.209 10.957 ( 0.314 -2.600 1.854) 3.209 11.145 ( -2.125 3.732 -3.625) 5.620 11.145 ( 2.125 3.732 3.625) 5.620 11.548 ( 1.307 4.744 -0.951) 5.012 11.548 ( -1.307 4.744 0.951) 5.012 13.104 ( 2.048 0.503 -3.036) 3.697 13.104 ( -2.048 0.503 3.036) 3.697 13.201 ( -2.298 -0.231 -0.839) 2.458 13.201 ( 2.298 -0.231 0.839) 2.458 20.121 ( -0.672 -0.544 -3.799) 3.896 20.121 ( 0.672 -0.544 3.799) 3.896 20.591 ( 0.265 1.460 -1.430) 2.060 20.591 ( -0.265 1.460 1.430) 2.060 23.819 ( 0.471 0.718 -1.062) 1.366 23.819 ( -0.471 0.718 1.062) 1.366 24.958 ( 0.646 -2.057 -8.982) 9.237 24.958 ( -0.646 -2.057 8.982) 9.237 25.965 ( -0.580 1.393 -2.082) 2.572 25.965 ( 0.580 1.393 2.082) 2.572 26.359 ( 2.050 -0.507 -1.398) 2.533 26.359 ( -2.050 -0.507 1.398) 2.533 27.382 ( -1.024 -4.912 -0.150) 5.020 27.382 ( 1.024 -4.912 0.150) 5.020 27.719 ( -2.376 5.755 -2.208) 6.606 27.719 ( 2.376 5.755 2.208) 6.606 28.204 ( -0.460 1.465 -0.773) 1.720 28.204 ( 0.460 1.465 0.773) 1.720 28.617 ( -3.104 -2.710 -8.110) 9.097 28.617 ( 3.104 -2.710 8.110) 9.097 38.935 ( -0.996 -0.910 -0.370) 1.399 38.935 ( 0.996 -0.910 0.370) 1.399 39.438 ( -0.797 -0.286 -3.471) 3.573 39.438 ( 0.797 -0.286 3.471) 3.573 73.402 ( -4.402 0.790 -3.004) 5.387 73.402 ( 4.402 0.790 3.004) 5.387 76.543 ( 7.676 2.899 -10.081) 12.998 76.543 ( -7.676 2.899 10.081) 12.998 ======================= Grid point 241 (117/128) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 3.043 -6.175 -15.701) 17.144 0.918 ( -3.043 -6.175 15.701) 17.144 1.432 ( -1.816 -8.212 -6.136) 10.411 1.432 ( 1.816 -8.212 6.136) 10.411 1.724 ( 3.170 7.679 -2.776) 8.760 1.724 ( -3.170 7.679 2.776) 8.760 2.278 ( -2.657 -5.343 -3.018) 6.687 2.278 ( 2.657 -5.343 3.018) 6.687 2.516 ( 0.355 4.063 -4.886) 6.365 2.516 ( -0.355 4.063 4.886) 6.365 3.042 ( 6.616 8.139 -4.467) 11.400 3.042 ( -6.616 8.139 4.467) 11.400 3.121 ( 1.194 2.398 -1.891) 3.279 3.121 ( -1.194 2.398 1.891) 3.279 3.456 ( -0.559 1.010 -0.118) 1.160 3.456 ( 0.559 1.010 0.118) 1.160 3.859 ( -4.387 1.759 -0.967) 4.825 3.859 ( 4.387 1.759 0.967) 4.825 4.119 ( -0.368 -3.866 -3.061) 4.945 4.119 ( 0.368 -3.866 3.061) 4.945 4.552 ( 3.101 -2.482 -3.199) 5.100 4.552 ( -3.101 -2.482 3.199) 5.100 4.890 ( 8.418 1.994 -6.909) 11.071 4.890 ( -8.418 1.994 6.909) 11.071 5.029 ( -2.387 0.133 -0.696) 2.490 5.029 ( 2.387 0.133 0.696) 2.490 5.331 ( -5.119 2.460 -5.540) 7.934 5.331 ( 5.119 2.460 5.540) 7.934 5.562 ( 2.075 3.591 -2.262) 4.724 5.562 ( -2.075 3.591 2.262) 4.724 5.837 ( -3.525 -7.848 -5.248) 10.078 5.837 ( 3.525 -7.848 5.248) 10.078 6.081 ( 0.695 -0.741 -0.529) 1.145 6.081 ( -0.695 -0.741 0.529) 1.145 7.314 ( -2.376 -4.871 -0.377) 5.433 7.314 ( 2.376 -4.871 0.377) 5.433 9.151 ( -0.106 1.233 -0.477) 1.326 9.151 ( 0.106 1.233 0.477) 1.326 9.274 ( -0.639 -0.190 -2.354) 2.447 9.274 ( 0.639 -0.190 2.354) 2.447 9.315 ( 0.037 -1.535 -2.158) 2.648 9.315 ( -0.037 -1.535 2.158) 2.648 9.976 ( 1.042 1.408 -2.018) 2.672 9.976 ( -1.042 1.408 2.018) 2.672 10.406 ( 0.344 -0.811 -0.464) 0.996 10.406 ( -0.344 -0.811 0.464) 0.996 10.805 ( 0.926 -1.038 -2.066) 2.491 10.805 ( -0.926 -1.038 2.066) 2.491 11.402 ( -3.024 2.883 -0.006) 4.178 11.402 ( 3.024 2.883 0.006) 4.178 11.612 ( 0.457 3.792 -1.182) 3.998 11.612 ( -0.457 3.792 1.182) 3.998 13.094 ( -2.448 0.298 -2.933) 3.832 13.094 ( 2.448 0.298 2.933) 3.832 13.172 ( -2.476 0.202 -0.829) 2.619 13.172 ( 2.476 0.202 0.829) 2.619 20.160 ( 1.547 0.078 -1.537) 2.182 20.160 ( -1.547 0.078 1.537) 2.182 20.548 ( -0.610 3.502 -0.378) 3.574 20.548 ( 0.610 3.502 0.378) 3.574 23.826 ( 0.305 -0.570 -1.397) 1.539 23.826 ( -0.305 -0.570 1.397) 1.539 25.043 ( 0.918 -1.750 -2.162) 2.929 25.043 ( -0.918 -1.750 2.162) 2.929 26.145 ( -2.582 0.588 -2.651) 3.747 26.145 ( 2.582 0.588 2.651) 3.747 26.470 ( -1.188 0.067 -1.869) 2.216 26.470 ( 1.188 0.067 1.869) 2.216 27.336 ( -1.978 5.176 -5.220) 7.613 27.336 ( 1.978 5.176 5.220) 7.613 27.522 ( 0.029 -2.323 -5.208) 5.702 27.522 ( -0.029 -2.323 5.208) 5.702 28.147 ( -0.060 -0.146 -0.193) 0.249 28.147 ( 0.060 -0.146 0.193) 0.249 28.820 ( -4.725 -4.543 1.225) 6.668 28.820 ( 4.725 -4.543 -1.225) 6.668 38.794 ( -0.952 0.009 -0.728) 1.199 38.794 ( 0.952 0.009 0.728) 1.199 39.337 ( 1.608 -0.291 -1.793) 2.425 39.337 ( -1.608 -0.291 1.793) 2.425 73.460 ( 2.102 1.894 -3.575) 4.559 73.460 ( -2.102 1.894 3.575) 4.559 77.011 ( -5.876 16.214 -5.212) 18.017 77.011 ( 5.876 16.214 5.212) 18.017 ======================= Grid point 243 (118/128) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 8.769 -1.277 -13.299) 15.981 1.004 ( 0.351 -8.689 13.171) 15.783 1.342 ( -0.968 -4.166 -4.756) 6.396 1.561 ( 5.134 -3.913 -2.057) 6.775 1.737 ( 2.510 4.634 9.764) 11.096 1.773 ( 2.956 2.611 -0.080) 3.945 2.181 ( -3.744 -5.621 -5.968) 9.012 2.292 ( -0.716 -7.028 -2.013) 7.346 2.511 ( 1.873 4.909 -2.195) 5.694 2.577 ( 2.445 4.177 5.186) 7.093 2.937 ( -5.228 10.385 1.692) 11.749 3.080 ( 1.694 3.967 -5.089) 6.671 3.151 ( 0.491 -0.907 3.722) 3.862 3.193 ( 4.974 5.012 -0.414) 7.073 3.420 ( -0.704 -0.440 2.358) 2.499 3.544 ( 4.363 1.729 -0.967) 4.791 3.737 ( -5.531 5.060 -1.141) 7.583 3.925 ( 1.741 0.141 -1.944) 2.614 4.056 ( -0.327 -0.460 0.705) 0.903 4.203 ( 3.954 -4.573 -3.276) 6.876 4.521 ( -3.143 -2.698 5.034) 6.519 4.586 ( 1.236 -4.625 -0.721) 4.841 4.710 ( -9.916 0.368 4.582) 10.929 4.852 ( -7.626 -1.540 3.047) 8.355 5.106 ( 11.397 4.323 -7.776) 14.458 5.169 ( 2.610 2.129 -5.275) 6.259 5.217 ( 2.231 2.318 -0.839) 3.325 5.415 ( -0.832 -2.569 1.687) 3.184 5.524 ( -4.162 4.279 3.397) 6.868 5.595 ( 3.018 1.618 -1.384) 3.693 5.703 ( -5.081 -2.076 -3.698) 6.618 5.828 ( -8.375 -5.051 5.165) 11.061 6.056 ( 0.823 -1.455 2.053) 2.648 6.140 ( 1.682 -4.004 -0.334) 4.356 7.225 ( -5.184 -1.757 -0.204) 5.478 7.349 ( 0.362 -5.674 -0.803) 5.742 9.112 ( -3.245 1.457 -0.225) 3.564 9.131 ( -2.522 0.682 -0.081) 2.614 9.229 ( -1.608 0.785 -1.339) 2.235 9.282 ( -1.075 -1.064 1.750) 2.313 9.325 ( 1.759 -0.956 -1.231) 2.350 9.354 ( 2.144 -2.223 1.000) 3.246 9.958 ( -2.701 1.609 2.721) 4.158 9.972 ( -0.056 1.084 -1.410) 1.779 10.376 ( -0.672 0.080 -0.036) 0.678 10.433 ( 1.051 -1.541 -1.263) 2.252 10.816 ( 1.524 -0.627 -0.489) 1.719 10.825 ( 1.631 -1.054 0.331) 1.970 11.304 ( -5.277 5.612 1.136) 7.787 11.447 ( 0.961 -0.417 -2.570) 2.775 11.618 ( 0.545 4.059 1.669) 4.423 11.652 ( 2.046 2.496 1.614) 3.609 13.026 ( -1.576 1.190 -2.790) 3.419 13.100 ( -1.081 -1.501 -2.274) 2.931 13.178 ( 0.651 2.063 4.005) 4.552 13.232 ( 2.403 0.013 1.492) 2.829 20.135 ( -2.111 0.982 1.551) 2.797 20.170 ( 0.757 -0.855 -1.550) 1.925 20.545 ( 0.412 3.756 0.902) 3.885 20.580 ( 1.621 2.679 0.913) 3.261 23.823 ( 0.354 -0.375 -1.063) 1.182 23.831 ( -0.350 -0.511 1.601) 1.717 24.993 ( -3.127 0.644 2.244) 3.903 25.097 ( 2.579 -4.966 -0.742) 5.645 26.049 ( -4.154 2.594 -2.919) 5.701 26.166 ( -1.323 -2.007 -0.329) 2.427 26.438 ( -2.287 2.307 0.502) 3.287 26.506 ( -0.003 -1.174 3.339) 3.539 27.244 ( -2.190 4.044 -1.045) 4.717 27.422 ( -2.015 -2.428 -0.098) 3.157 27.485 ( 4.623 3.554 1.616) 6.051 27.603 ( 3.873 -0.792 0.982) 4.074 28.147 ( 0.131 0.049 0.179) 0.227 28.153 ( 0.370 -0.209 0.497) 0.654 28.708 ( -5.946 -0.144 -2.230) 6.352 28.862 ( 1.605 -6.746 -4.326) 8.173 38.785 ( 0.505 1.199 0.654) 1.456 38.840 ( 2.268 -1.665 1.460) 3.170 39.332 ( -0.184 0.473 1.486) 1.570 39.372 ( 3.095 -1.474 -1.712) 3.832 73.412 ( -3.151 3.733 1.610) 5.144 73.503 ( 2.776 -0.295 -2.191) 3.549 76.857 ( -8.028 18.830 0.735) 20.484 77.122 ( -2.153 9.415 12.403) 15.720 ======================= Grid point 244 (119/128) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 12.270 -0.779 -10.060) 15.886 1.118 ( 4.001 -5.066 7.630) 9.995 1.313 ( 3.408 3.939 -8.217) 9.729 1.627 ( 4.614 -1.862 -0.263) 4.982 1.860 ( 4.945 2.122 4.804) 7.213 1.934 ( 7.753 -6.976 9.754) 14.280 2.054 ( -3.178 -7.129 -6.451) 10.126 2.291 ( 1.839 -5.719 -0.696) 6.048 2.536 ( 1.412 6.964 -2.556) 7.551 2.635 ( 0.053 2.904 0.806) 3.015 2.898 ( -0.105 10.302 2.960) 10.720 3.053 ( -0.512 2.649 -4.297) 5.073 3.161 ( -1.462 -1.982 -0.285) 2.480 3.239 ( -0.175 1.827 1.086) 2.132 3.428 ( -1.397 3.701 1.898) 4.388 3.579 ( 0.467 0.268 -0.411) 0.678 3.670 ( -0.944 6.825 -0.739) 6.929 3.934 ( 2.411 -2.164 -4.362) 5.434 4.090 ( 0.652 -0.931 3.146) 3.345 4.243 ( 4.046 -0.129 -2.672) 4.851 4.483 ( -5.958 -4.567 4.812) 8.917 4.568 ( -2.316 -1.060 -0.709) 2.644 4.578 ( -6.209 -3.451 4.159) 8.232 4.814 ( 1.018 -6.051 0.520) 6.158 5.060 ( -2.330 3.916 -2.247) 5.081 5.246 ( -1.333 -0.190 -4.707) 4.895 5.328 ( 6.677 2.038 -1.783) 7.205 5.343 ( 1.545 -2.648 -4.234) 5.227 5.474 ( -4.614 4.714 4.551) 8.014 5.584 ( -8.714 1.310 1.557) 8.948 5.638 ( 1.530 -1.086 -0.714) 2.008 5.716 ( -3.822 -0.459 4.275) 5.753 6.087 ( 0.715 -3.008 0.265) 3.103 6.140 ( -1.195 -4.811 0.056) 4.957 7.133 ( -3.983 2.140 -0.249) 4.529 7.320 ( -2.498 -4.334 -0.774) 5.062 9.037 ( -4.031 1.016 -0.180) 4.161 9.068 ( -3.678 0.071 0.025) 3.679 9.199 ( -0.496 1.322 -1.499) 2.059 9.271 ( -1.334 -1.370 1.712) 2.566 9.353 ( 1.969 -0.603 -0.967) 2.275 9.396 ( 1.388 -2.803 0.955) 3.271 9.918 ( -3.390 2.111 2.863) 4.914 9.955 ( -0.603 0.585 -1.502) 1.721 10.382 ( 1.336 -0.345 -0.562) 1.490 10.430 ( -0.264 -1.011 -0.855) 1.351 10.844 ( 2.001 -0.699 -1.147) 2.410 10.870 ( 2.192 -0.828 1.238) 2.650 11.229 ( -3.704 5.589 1.558) 6.883 11.416 ( -1.624 -1.790 -3.376) 4.152 11.637 ( 0.199 3.670 0.841) 3.771 11.687 ( -0.073 2.600 2.380) 3.526 13.008 ( 1.410 1.342 -1.804) 2.654 13.076 ( 0.379 -1.321 -2.111) 2.519 13.198 ( -1.120 2.588 2.753) 3.941 13.273 ( 0.675 -0.000 1.160) 1.342 20.108 ( -1.841 1.460 1.617) 2.853 20.168 ( 0.230 -1.554 -1.595) 2.238 20.569 ( 1.029 3.275 1.290) 3.667 20.611 ( 0.835 2.012 0.784) 2.315 23.824 ( 0.412 0.001 -0.744) 0.850 23.836 ( -0.383 -0.212 1.502) 1.564 24.954 ( -3.050 1.326 2.930) 4.433 25.109 ( -0.547 -6.752 -2.221) 7.129 25.973 ( -1.910 3.353 -1.247) 4.056 26.115 ( -2.863 -1.949 -1.056) 3.621 26.381 ( -3.147 3.813 -0.561) 4.976 26.503 ( -2.613 -1.983 2.420) 4.077 27.239 ( 1.224 0.803 0.180) 1.475 27.365 ( -2.391 -4.075 -0.763) 4.786 27.609 ( 4.819 3.875 2.975) 6.863 27.692 ( 4.757 0.357 1.948) 5.153 28.157 ( 0.574 0.400 0.806) 1.067 28.172 ( 1.003 -0.137 1.190) 1.562 28.583 ( -4.451 3.595 -3.919) 6.935 28.825 ( -1.196 -6.866 -5.944) 9.160 38.815 ( 1.831 1.268 0.803) 2.367 38.888 ( 1.304 -2.382 1.753) 3.232 39.348 ( 0.700 0.948 1.428) 1.851 39.419 ( 2.883 -2.467 -1.758) 4.182 73.369 ( -2.308 4.944 1.189) 5.584 73.529 ( 1.564 -2.200 -2.445) 3.642 76.726 ( -6.634 16.243 1.710) 17.629 77.086 ( -11.637 3.397 14.126) 18.614 ======================= Grid point 245 (120/128) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 12.890 -3.793 -7.278) 15.280 1.273 ( 8.093 -2.743 1.766) 8.726 1.393 ( 10.089 7.739 -3.330) 13.144 1.713 ( 4.453 -2.602 -2.822) 5.879 1.979 ( 4.147 -4.732 2.773) 6.876 2.061 ( 5.745 1.221 2.378) 6.336 2.119 ( 4.488 -6.576 6.506) 10.282 2.338 ( 3.047 -5.020 -0.007) 5.872 2.491 ( -3.327 5.431 -4.356) 7.717 2.567 ( -5.754 0.485 -4.285) 7.191 2.962 ( 1.911 6.832 4.612) 8.461 3.024 ( 1.332 3.754 -3.169) 5.090 3.112 ( -1.259 1.406 -1.328) 2.308 3.238 ( -1.724 1.502 3.621) 4.283 3.374 ( -4.331 5.880 -0.369) 7.313 3.578 ( -1.376 -2.941 1.567) 3.605 3.659 ( -0.127 4.106 -0.484) 4.137 3.937 ( 1.524 -3.275 -6.323) 7.282 4.103 ( -1.284 0.829 3.280) 3.619 4.326 ( 4.696 -0.078 -0.059) 4.697 4.350 ( -10.034 -1.159 4.406) 11.020 4.510 ( 0.113 3.866 -3.036) 4.917 4.568 ( -0.043 -9.173 1.641) 9.319 4.813 ( -0.122 -7.078 -4.531) 8.405 5.056 ( 1.170 -0.844 1.628) 2.175 5.141 ( -5.928 -5.838 0.426) 8.331 5.306 ( -5.256 5.954 5.119) 9.449 5.380 ( -6.200 0.432 4.254) 7.531 5.440 ( 0.090 1.412 -2.234) 2.645 5.495 ( 4.619 3.215 -3.563) 6.661 5.650 ( 0.224 -1.972 0.501) 2.047 5.710 ( -0.659 -0.563 0.691) 1.109 6.080 ( -0.797 -3.419 -0.667) 3.574 6.116 ( -0.891 -3.598 -0.627) 3.759 7.079 ( -1.624 4.695 0.289) 4.976 7.253 ( -3.759 -1.750 -0.668) 4.200 8.969 ( -2.877 -0.020 0.091) 2.878 9.002 ( -3.068 -0.701 -0.081) 3.149 9.188 ( 0.437 1.244 -1.328) 1.872 9.256 ( -1.419 -1.394 1.541) 2.516 9.382 ( 1.754 -0.460 -0.998) 2.070 9.419 ( 0.235 -2.499 1.105) 2.742 9.878 ( -2.835 2.571 2.709) 4.689 9.926 ( -1.003 0.452 -2.203) 2.463 10.407 ( 1.559 -1.312 -1.077) 2.305 10.421 ( -0.144 -0.912 0.097) 0.928 10.874 ( 1.681 -0.449 -0.314) 1.768 10.916 ( 1.505 -1.208 1.113) 2.228 11.183 ( -2.242 4.555 1.437) 5.276 11.344 ( -2.962 -1.759 -3.793) 5.124 11.638 ( -0.284 4.197 0.202) 4.212 11.690 ( -1.244 3.607 2.165) 4.387 13.044 ( 3.284 0.691 -1.622) 3.727 13.084 ( 1.820 -0.964 -1.387) 2.483 13.184 ( -2.022 2.780 1.969) 3.961 13.273 ( -1.163 -0.375 0.471) 1.310 20.092 ( -1.065 1.302 1.749) 2.426 20.156 ( -0.252 -1.763 -1.761) 2.505 20.596 ( 0.728 2.440 1.328) 2.871 20.624 ( 0.290 1.639 0.009) 1.665 23.828 ( 0.408 0.432 -0.464) 0.754 23.838 ( -0.322 0.214 1.113) 1.178 24.919 ( -2.860 0.567 3.309) 4.410 25.049 ( -2.828 -5.674 -4.204) 7.606 25.958 ( 0.215 3.081 0.677) 3.162 26.058 ( -2.157 -0.231 -0.930) 2.360 26.333 ( -0.989 2.641 -1.171) 3.053 26.452 ( -3.775 -2.315 1.330) 4.624 27.267 ( 1.209 -1.428 0.133) 1.876 27.327 ( -1.164 -3.745 -0.484) 3.951 27.700 ( 3.236 4.324 2.079) 5.787 27.796 ( 3.543 0.358 2.114) 4.142 28.181 ( 0.982 0.908 1.538) 2.038 28.213 ( 1.905 0.120 2.573) 3.203 28.494 ( -2.127 3.972 -2.849) 5.331 28.742 ( -2.446 -6.186 -6.641) 9.400 38.857 ( 1.869 0.624 0.640) 2.072 38.914 ( 0.353 -2.147 1.184) 2.477 39.376 ( 1.003 1.055 1.518) 2.103 39.448 ( 1.509 -2.294 -1.988) 3.390 73.349 ( -0.453 4.908 0.927) 5.016 73.523 ( -0.355 -2.806 -2.423) 3.725 76.630 ( -4.054 11.090 0.205) 11.810 76.916 ( -14.636 0.934 10.644) 18.121 ======================= Grid point 246 (121/128) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 10.281 -4.097 -3.411) 11.581 1.428 ( 7.266 -2.081 -0.779) 7.598 1.624 ( 13.283 6.591 2.211) 14.992 1.788 ( 7.663 0.441 -3.408) 8.398 2.040 ( -3.232 1.468 2.879) 4.570 2.156 ( -2.649 2.074 2.750) 4.345 2.219 ( 5.036 -6.188 1.927) 8.208 2.354 ( -5.487 -0.044 -7.745) 9.492 2.370 ( 1.493 -2.551 -1.580) 3.352 2.465 ( -0.795 -4.992 0.985) 5.150 2.969 ( -1.053 3.471 0.123) 3.629 3.030 ( -1.824 3.387 -1.310) 4.063 3.160 ( 4.143 6.448 4.658) 8.969 3.237 ( 0.083 2.796 3.316) 4.338 3.283 ( -3.025 2.007 -2.993) 4.705 3.520 ( -6.274 0.868 0.236) 6.338 3.681 ( 2.556 -1.324 2.569) 3.859 3.890 ( -1.551 -4.331 -7.088) 8.450 4.104 ( 0.380 4.064 0.599) 4.125 4.214 ( -7.237 2.490 4.577) 8.917 4.399 ( 2.522 -2.217 2.102) 3.962 4.517 ( -0.162 -0.364 -1.192) 1.257 4.597 ( 6.409 -5.857 -5.329) 10.187 4.783 ( 1.059 -4.100 -4.708) 6.332 4.990 ( -8.972 -5.426 2.665) 10.819 5.039 ( -8.565 -6.283 5.277) 11.861 5.284 ( 2.302 4.896 3.574) 6.484 5.368 ( 1.102 0.902 3.610) 3.881 5.446 ( 1.001 3.325 -1.686) 3.860 5.531 ( 0.590 1.798 -3.057) 3.595 5.651 ( -1.981 -3.333 4.630) 6.039 5.689 ( 0.751 -1.316 -5.151) 5.369 6.070 ( -0.250 -3.078 0.886) 3.212 6.094 ( -0.374 -3.210 -1.884) 3.741 7.074 ( 0.666 5.094 0.698) 5.184 7.176 ( -3.637 1.159 -0.700) 3.880 8.933 ( -1.132 -1.051 0.313) 1.575 8.954 ( -1.834 -1.403 -0.264) 2.324 9.196 ( 1.229 0.691 -0.993) 1.725 9.239 ( -1.491 -0.993 1.173) 2.141 9.403 ( 1.240 -0.581 -1.004) 1.698 9.423 ( -0.545 -1.770 1.098) 2.153 9.854 ( -1.603 2.517 2.708) 4.030 9.888 ( -0.894 1.007 -2.825) 3.129 10.419 ( 0.287 -1.359 0.384) 1.441 10.428 ( 0.690 -2.175 -0.872) 2.443 10.903 ( 1.337 -0.270 0.350) 1.409 10.938 ( 0.089 -1.109 0.558) 1.244 11.169 ( -0.315 3.196 1.563) 3.571 11.261 ( -2.798 -0.312 -3.355) 4.380 11.639 ( 0.360 4.534 0.043) 4.549 11.675 ( -1.601 3.933 1.291) 4.438 13.089 ( 2.916 0.603 -2.521) 3.901 13.128 ( 3.152 -0.862 -0.036) 3.268 13.156 ( -2.341 2.263 1.971) 3.806 13.241 ( -2.346 -0.820 0.052) 2.485 20.094 ( -0.228 0.579 1.925) 2.023 20.134 ( -0.538 -1.332 -1.964) 2.433 20.615 ( 0.220 1.697 1.223) 2.103 20.626 ( 0.228 1.361 -0.641) 1.522 23.833 ( 0.390 0.750 -0.328) 0.907 23.839 ( -0.294 0.610 0.688) 0.965 24.899 ( -1.795 -0.750 3.650) 4.136 24.964 ( -2.157 -3.676 -4.609) 6.277 25.977 ( 0.672 2.245 1.370) 2.715 26.021 ( -1.053 0.860 -0.991) 1.683 26.325 ( 0.811 0.845 -1.040) 1.566 26.391 ( -3.268 -1.785 0.895) 3.830 27.284 ( 0.726 -2.349 -0.082) 2.460 27.309 ( -0.611 -3.381 -0.231) 3.444 27.770 ( 2.584 4.618 1.799) 5.589 27.840 ( 0.402 1.726 -0.045) 1.773 28.215 ( 1.179 1.866 1.987) 2.970 28.260 ( 0.744 1.823 0.988) 2.203 28.475 ( 0.886 -0.069 1.900) 2.098 28.643 ( -2.732 -5.310 -6.813) 9.059 38.892 ( 1.325 -0.214 0.390) 1.398 38.921 ( -0.239 -1.607 0.487) 1.696 39.406 ( 0.888 0.657 1.717) 2.042 39.449 ( 0.303 -1.303 -2.094) 2.485 73.367 ( 1.623 3.348 1.045) 3.864 73.482 ( -2.160 -1.640 -2.035) 3.391 76.582 ( -0.235 6.161 -1.579) 6.364 76.726 ( -11.043 1.036 6.481) 12.846 ======================= Grid point 247 (122/128) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.865 -2.283 -2.674) 3.621 1.504 ( -0.865 -2.283 2.674) 3.621 1.880 ( -11.560 5.581 -0.586) 12.850 1.880 ( 11.560 5.581 0.586) 12.850 1.987 ( -12.047 1.604 -0.575) 12.167 1.987 ( 12.047 1.604 0.575) 12.167 2.279 ( -0.587 -3.766 -1.521) 4.104 2.279 ( 0.587 -3.766 1.521) 4.104 2.439 ( -1.395 -5.568 -1.873) 6.038 2.439 ( 1.395 -5.568 1.873) 6.038 2.973 ( -0.622 3.842 -1.521) 4.178 2.973 ( 0.622 3.842 1.521) 4.178 3.221 ( -0.185 1.344 -4.322) 4.530 3.221 ( 0.185 1.344 4.322) 4.530 3.363 ( -6.177 5.252 -4.635) 9.339 3.363 ( 6.177 5.252 4.635) 9.339 3.783 ( -4.145 -3.968 -5.674) 8.069 3.783 ( 4.145 -3.968 5.674) 8.069 4.138 ( 3.567 4.299 -3.218) 6.446 4.138 ( -3.567 4.299 3.218) 6.446 4.467 ( -2.127 -3.694 -2.750) 5.072 4.467 ( 2.127 -3.694 2.750) 5.072 4.725 ( 6.749 -1.809 -2.830) 7.539 4.725 ( -6.749 -1.809 2.830) 7.539 4.923 ( 4.798 -6.797 -5.272) 9.850 4.923 ( -4.798 -6.797 5.272) 9.850 5.374 ( -2.035 2.292 -2.193) 3.769 5.374 ( 2.035 2.292 2.193) 3.769 5.477 ( -2.599 2.814 -2.075) 4.356 5.477 ( 2.599 2.814 2.075) 4.356 5.664 ( 1.193 -3.156 -6.414) 7.247 5.664 ( -1.193 -3.156 6.414) 7.247 6.078 ( 0.189 -3.035 -1.984) 3.631 6.078 ( -0.189 -3.035 1.984) 3.631 7.111 ( -2.383 3.668 -0.883) 4.462 7.111 ( 2.383 3.668 0.883) 4.462 8.929 ( -0.470 -1.580 -0.374) 1.691 8.929 ( 0.470 -1.580 0.374) 1.691 9.217 ( 1.399 -0.159 -0.899) 1.670 9.217 ( -1.399 -0.159 0.899) 1.670 9.416 ( 0.839 -1.073 -1.241) 1.842 9.416 ( -0.839 -1.073 1.241) 1.842 9.859 ( 0.170 1.891 -2.971) 3.526 9.859 ( -0.170 1.891 2.971) 3.526 10.427 ( 0.329 -2.063 -1.587) 2.623 10.427 ( -0.329 -2.063 1.587) 2.623 10.929 ( -0.880 -0.487 -0.383) 1.076 10.929 ( 0.880 -0.487 0.383) 1.076 11.196 ( -1.595 1.425 -2.457) 3.258 11.196 ( 1.595 1.425 2.457) 3.258 11.653 ( 0.349 4.256 -0.673) 4.323 11.653 ( -0.349 4.256 0.673) 4.323 13.124 ( 2.309 1.406 -2.623) 3.766 13.124 ( -2.309 1.406 2.623) 3.766 13.189 ( -1.829 -1.022 -0.943) 2.298 13.189 ( 1.829 -1.022 0.943) 2.298 20.110 ( -0.294 -0.428 -2.134) 2.196 20.110 ( 0.294 -0.428 2.134) 2.196 20.623 ( 0.197 1.321 -1.154) 1.766 20.623 ( -0.197 1.321 1.154) 1.766 23.837 ( 0.376 0.819 -0.750) 1.172 23.837 ( -0.376 0.819 0.750) 1.172 24.910 ( 0.563 -2.105 -5.193) 5.631 24.910 ( -0.563 -2.105 5.193) 5.631 25.998 ( -0.541 1.501 -1.335) 2.080 25.998 ( 0.541 1.501 1.335) 2.080 26.346 ( 0.830 -0.636 -0.991) 1.441 26.346 ( -0.830 -0.636 0.991) 1.441 27.296 ( -0.562 -2.917 -0.086) 2.972 27.296 ( 0.562 -2.917 0.086) 2.972 27.821 ( -1.499 3.597 -1.351) 4.125 27.821 ( 1.499 3.597 1.351) 4.125 28.250 ( -0.890 2.829 -1.768) 3.453 28.250 ( 0.890 2.829 1.768) 3.453 28.544 ( -2.596 -3.895 -6.003) 7.612 28.544 ( 2.596 -3.895 6.003) 7.612 38.913 ( -0.269 -0.970 -0.418) 1.090 38.913 ( 0.269 -0.970 0.418) 1.090 39.432 ( -0.376 -0.195 -2.059) 2.102 39.432 ( 0.376 -0.195 2.059) 2.102 73.420 ( -2.425 0.798 -1.735) 3.087 73.420 ( 2.425 0.798 1.735) 3.087 76.608 ( 3.725 2.769 -5.545) 7.231 76.608 ( -3.725 2.769 5.545) 7.231 ======================= Grid point 253 (123/128) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 0.000 0.000) 0.000 0.879 ( -0.000 0.000 0.000) 0.000 1.284 ( -0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.899 ( -0.000 -0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.136 ( -0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.569 ( -0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 3.143 ( -0.000 0.000 -0.000) 0.000 3.143 ( -0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 -0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.480 ( -0.000 -0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.071 ( -0.000 0.000 0.000) 0.000 4.071 ( -0.000 0.000 0.000) 0.000 4.528 ( -0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.031 ( -0.000 0.000 0.000) 0.000 5.031 ( -0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.609 ( -0.000 -0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.737 ( -0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 6.075 ( -0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.258 ( -0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.167 ( -0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 -0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 -0.000) 0.000 9.294 ( -0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.390 ( -0.000 0.000 0.000) 0.000 10.797 ( -0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 11.434 ( -0.000 0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.174 ( -0.000 0.000 0.000) 0.000 13.174 ( -0.000 0.000 0.000) 0.000 20.160 ( 0.000 0.000 0.000) 0.000 20.160 ( -0.000 0.000 0.000) 0.000 20.587 ( 0.000 0.000 0.000) 0.000 20.587 ( 0.000 0.000 0.000) 0.000 23.820 ( 0.000 0.000 0.000) 0.000 23.820 ( -0.000 0.000 0.000) 0.000 25.024 ( -0.000 0.000 0.000) 0.000 25.024 ( 0.000 0.000 0.000) 0.000 26.151 ( 0.000 0.000 0.000) 0.000 26.151 ( 0.000 0.000 0.000) 0.000 26.471 ( 0.000 0.000 0.000) 0.000 26.471 ( 0.000 0.000 0.000) 0.000 27.416 ( 0.000 0.000 -0.000) 0.000 27.416 ( 0.000 0.000 0.000) 0.000 27.474 ( -0.000 0.000 0.000) 0.000 27.474 ( -0.000 0.000 0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.769 ( 0.000 0.000 0.000) 0.000 28.769 ( 0.000 0.000 0.000) 0.000 38.794 ( -0.000 0.000 0.000) 0.000 38.794 ( -0.000 0.000 0.000) 0.000 39.334 ( -0.000 0.000 0.000) 0.000 39.334 ( -0.000 0.000 0.000) 0.000 73.479 ( -0.000 0.000 0.000) 0.000 73.479 ( -0.000 0.000 0.000) 0.000 77.189 ( 0.000 0.000 0.000) 0.000 77.189 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 257 (124/128) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 4.239 -2.731 -0.488) 5.066 0.913 ( 4.239 2.731 -0.488) 5.066 1.369 ( 6.711 -8.973 2.662) 11.517 1.369 ( 6.711 8.973 2.662) 11.517 1.864 ( -3.289 -7.202 -0.105) 7.918 1.864 ( -3.289 7.202 -0.105) 7.918 2.113 ( -0.715 -7.110 -1.834) 7.378 2.113 ( -0.715 7.110 -1.834) 7.378 2.605 ( 2.945 -2.088 1.073) 3.766 2.605 ( 2.945 2.088 1.073) 3.766 3.101 ( -2.914 -4.725 0.405) 5.566 3.101 ( -2.914 4.725 0.405) 5.566 3.172 ( 0.918 -4.372 -1.779) 4.809 3.172 ( 0.918 4.372 -1.779) 4.809 3.513 ( 2.639 -5.143 -0.200) 5.784 3.513 ( 2.639 5.143 -0.200) 5.784 3.848 ( -1.301 -5.857 0.279) 6.006 3.848 ( -1.301 5.857 0.279) 6.006 4.102 ( 4.410 -4.224 -3.310) 6.946 4.102 ( 4.410 4.224 -3.310) 6.946 4.508 ( -3.149 -1.998 2.681) 4.593 4.508 ( -3.149 1.998 2.681) 4.593 4.783 ( -9.208 -4.604 4.869) 11.388 4.783 ( -9.208 4.604 4.869) 11.388 5.181 ( 10.797 -1.783 -4.702) 11.910 5.181 ( 10.797 1.783 -4.702) 11.910 5.295 ( -4.270 -6.051 -4.241) 8.534 5.295 ( -4.270 6.051 -4.241) 8.534 5.597 ( -0.946 -1.755 0.102) 1.997 5.597 ( -0.946 1.755 0.102) 1.997 5.729 ( -3.463 -3.765 4.437) 6.772 5.729 ( -3.463 3.765 4.437) 6.772 6.070 ( -0.707 -2.379 1.166) 2.743 6.070 ( -0.707 2.379 1.166) 2.743 7.245 ( -1.073 -3.498 -0.542) 3.698 7.245 ( -1.073 3.498 -0.542) 3.698 9.135 ( -3.125 -0.521 -0.215) 3.176 9.135 ( -3.125 0.521 -0.215) 3.176 9.254 ( -1.118 -1.441 -0.017) 1.824 9.254 ( -1.118 1.441 -0.017) 1.824 9.321 ( 1.752 -0.771 0.157) 1.921 9.321 ( 1.752 0.771 0.157) 1.921 9.982 ( -1.467 -0.376 0.550) 1.611 9.982 ( -1.467 0.376 0.550) 1.611 10.391 ( 0.284 -1.668 -0.427) 1.745 10.391 ( 0.284 1.668 -0.427) 1.745 10.814 ( 1.726 -0.326 -0.228) 1.771 10.814 ( 1.726 0.326 -0.228) 1.771 11.406 ( -2.238 -3.664 -1.095) 4.431 11.406 ( -2.238 3.664 -1.095) 4.431 11.669 ( 1.018 -0.873 1.327) 1.887 11.669 ( 1.018 0.873 1.327) 1.887 13.061 ( -1.184 -1.964 -2.419) 3.333 13.061 ( -1.184 1.964 -2.419) 3.333 13.217 ( 1.596 -1.433 2.948) 3.646 13.217 ( 1.596 1.433 2.948) 3.646 20.153 ( -0.724 -0.792 0.094) 1.077 20.153 ( -0.724 0.792 0.094) 1.077 20.599 ( 0.804 -0.995 0.699) 1.458 20.599 ( 0.804 0.995 0.699) 1.458 23.823 ( 0.136 -0.251 0.294) 0.410 23.823 ( 0.136 0.251 0.294) 0.410 25.022 ( -0.449 -2.340 0.217) 2.392 25.022 ( -0.449 2.340 0.217) 2.392 26.111 ( -2.687 -3.013 -1.966) 4.490 26.111 ( -2.687 3.013 -1.966) 4.490 26.478 ( -0.878 -1.568 2.295) 2.915 26.478 ( -0.878 1.568 2.295) 2.915 27.339 ( -3.798 -4.625 -0.981) 6.064 27.339 ( -3.798 4.625 -0.981) 6.064 27.563 ( 5.160 -3.003 1.616) 6.185 27.563 ( 5.160 3.003 1.616) 6.185 28.150 ( 0.325 -0.154 0.339) 0.494 28.150 ( 0.325 0.154 0.339) 0.494 28.746 ( -1.333 -3.861 -2.646) 4.866 28.746 ( -1.333 3.861 -2.646) 4.866 38.811 ( 1.272 -1.259 0.747) 1.940 38.811 ( 1.272 1.259 0.747) 1.940 39.346 ( 1.309 -0.965 -0.207) 1.640 39.346 ( 1.309 0.965 -0.207) 1.640 73.475 ( -0.293 -2.278 -0.424) 2.335 73.475 ( -0.293 2.278 -0.424) 2.335 77.145 ( -6.960 -7.170 5.935) 11.622 77.145 ( -6.960 7.170 5.935) 11.622 ======================= Grid point 259 (125/128) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 8.959 -2.725 -2.658) 9.735 1.032 ( 8.959 2.725 -2.658) 9.735 1.510 ( 5.744 -11.389 -0.656) 12.772 1.510 ( 5.744 11.389 -0.656) 12.772 1.830 ( 1.762 -5.813 1.121) 6.176 1.830 ( 1.762 5.813 1.121) 6.176 2.123 ( 1.963 -9.032 2.002) 9.457 2.123 ( 1.963 9.032 2.002) 9.457 2.652 ( 0.278 -2.580 -0.947) 2.762 2.652 ( 0.278 2.580 -0.947) 2.762 3.060 ( -1.239 -4.197 -0.036) 4.376 3.060 ( -1.239 4.197 -0.036) 4.376 3.168 ( 0.282 -4.783 -1.251) 4.952 3.168 ( 0.282 4.783 -1.251) 4.952 3.541 ( -0.812 -4.416 1.435) 4.714 3.541 ( -0.812 4.416 1.435) 4.714 3.818 ( -0.672 -7.012 -2.455) 7.460 3.818 ( -0.672 7.012 -2.455) 7.460 4.177 ( 5.335 -6.471 -3.266) 9.001 4.177 ( 5.335 6.471 -3.266) 9.001 4.449 ( -5.956 -2.926 6.270) 9.130 4.449 ( -5.956 2.926 6.270) 9.130 4.687 ( -3.222 -6.534 0.372) 7.295 4.687 ( -3.222 6.534 0.372) 7.295 5.151 ( -4.797 -5.188 -4.329) 8.286 5.151 ( -4.797 5.188 -4.329) 8.286 5.349 ( 7.302 -0.376 -2.313) 7.668 5.349 ( 7.302 0.376 -2.313) 7.668 5.553 ( -6.274 -3.618 4.085) 8.315 5.553 ( -6.274 3.618 4.085) 8.315 5.681 ( -2.243 -3.181 1.257) 4.091 5.681 ( -2.243 3.181 1.257) 4.091 6.067 ( -0.547 -1.487 0.801) 1.775 6.067 ( -0.547 1.487 0.801) 1.775 7.214 ( -1.561 -5.158 -0.588) 5.421 7.214 ( -1.561 5.158 -0.588) 5.421 9.059 ( -4.288 -0.909 -0.189) 4.388 9.059 ( -4.288 0.909 -0.189) 4.388 9.235 ( -0.872 -1.912 0.097) 2.104 9.235 ( -0.872 1.912 0.097) 2.104 9.355 ( 1.698 -1.001 0.017) 1.971 9.355 ( 1.698 1.001 0.017) 1.971 9.953 ( -1.993 -0.963 0.638) 2.303 9.953 ( -1.993 0.963 0.638) 2.303 10.395 ( 0.544 -1.586 -0.718) 1.824 10.395 ( 0.544 1.586 -0.718) 1.824 10.851 ( 2.059 -0.922 -0.011) 2.256 10.851 ( 2.059 0.922 -0.011) 2.256 11.345 ( -3.008 -4.912 -1.245) 5.893 11.345 ( -3.008 4.912 -1.245) 5.893 11.695 ( 0.473 -1.561 1.498) 2.214 11.695 ( 0.473 1.561 1.498) 2.214 13.042 ( 0.841 -1.775 -1.898) 2.731 13.042 ( 0.841 1.775 -1.898) 2.731 13.250 ( -0.254 -2.042 2.280) 3.071 13.250 ( -0.254 2.042 2.280) 3.071 20.138 ( -0.941 -1.391 0.156) 1.687 20.138 ( -0.941 1.391 0.156) 1.687 20.620 ( 0.668 -1.206 0.812) 1.600 20.620 ( 0.668 1.206 0.812) 1.600 23.829 ( 0.238 -0.364 0.420) 0.604 23.829 ( 0.238 0.364 0.420) 0.604 25.002 ( -1.771 -3.557 -0.101) 3.975 25.002 ( -1.771 3.557 -0.101) 3.975 26.051 ( -1.945 -3.747 -1.246) 4.402 26.051 ( -1.945 3.747 -1.246) 4.402 26.452 ( -3.136 -2.895 1.366) 4.481 26.452 ( -3.136 2.895 1.366) 4.481 27.285 ( -1.382 -3.295 -0.485) 3.606 27.285 ( -1.382 3.295 -0.485) 3.606 27.673 ( 4.835 -2.115 2.221) 5.726 27.673 ( 4.835 2.115 2.221) 5.726 28.166 ( 0.900 -0.392 1.073) 1.454 28.166 ( 0.900 0.392 1.073) 1.454 28.686 ( -2.200 -6.083 -4.359) 7.800 28.686 ( -2.200 6.083 -4.359) 7.800 38.845 ( 1.502 -1.683 0.999) 2.467 38.845 ( 1.502 1.683 0.999) 2.467 39.376 ( 1.811 -1.703 -0.326) 2.507 39.376 ( 1.811 1.703 -0.326) 2.507 73.463 ( -0.500 -3.973 -0.717) 4.068 73.463 ( -0.500 3.973 -0.717) 4.068 77.016 ( -11.402 -9.748 7.378) 16.717 77.016 ( -11.402 9.748 7.378) 16.717 ======================= Grid point 261 (126/128) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 11.633 -2.302 -5.637) 13.130 1.198 ( 11.633 2.302 -5.637) 13.130 1.598 ( 6.501 -8.843 -2.265) 11.207 1.598 ( 6.501 8.843 -2.265) 11.207 1.952 ( 7.263 -3.917 3.349) 8.905 1.952 ( 7.263 3.917 3.349) 8.905 2.204 ( 3.394 -6.988 4.363) 8.910 2.204 ( 3.394 6.988 4.363) 8.910 2.568 ( -6.359 -1.548 -5.075) 8.282 2.568 ( -6.359 1.548 -5.075) 8.282 3.047 ( -0.561 -2.103 0.090) 2.178 3.047 ( -0.561 2.103 0.090) 2.178 3.192 ( 2.596 -5.379 1.384) 6.131 3.192 ( 2.596 5.379 1.384) 6.131 3.489 ( -5.534 -4.703 1.606) 7.438 3.489 ( -5.534 4.703 1.606) 7.438 3.794 ( -0.087 -8.155 -2.983) 8.684 3.794 ( -0.087 8.155 -2.983) 8.684 4.221 ( -0.256 -8.072 0.901) 8.126 4.221 ( -0.256 8.072 0.901) 8.126 4.411 ( -1.289 -5.292 3.234) 6.335 4.411 ( -1.289 5.292 3.234) 6.335 4.644 ( 0.499 -8.121 -4.883) 9.489 4.644 ( 0.499 8.121 -4.883) 9.489 5.058 ( -4.136 -1.701 0.500) 4.500 5.058 ( -4.136 1.701 0.500) 4.500 5.383 ( -5.321 -1.264 4.391) 7.014 5.383 ( -5.321 1.264 4.391) 7.014 5.493 ( 1.002 -3.638 0.911) 3.882 5.493 ( 1.002 3.638 0.911) 3.882 5.667 ( 0.032 -3.221 -1.708) 3.646 5.667 ( 0.032 3.221 -1.708) 3.646 6.057 ( -0.582 -1.329 -0.536) 1.547 6.057 ( -0.582 1.329 -0.536) 1.547 7.182 ( -1.367 -4.677 -0.281) 4.881 7.182 ( -1.367 4.677 -0.281) 4.881 8.981 ( -3.533 -1.044 -0.144) 3.687 8.981 ( -3.533 1.044 -0.144) 3.687 9.222 ( -0.588 -1.794 0.241) 1.903 9.222 ( -0.588 1.794 0.241) 1.903 9.383 ( 1.269 -0.804 -0.103) 1.505 9.383 ( 1.269 0.804 -0.103) 1.505 9.919 ( -1.843 -1.223 0.350) 2.239 9.919 ( -1.843 1.223 0.350) 2.239 10.400 ( 0.530 -0.675 -0.799) 1.173 10.400 ( 0.530 0.675 -0.799) 1.173 10.888 ( 1.528 -1.322 0.521) 2.087 10.888 ( 1.528 1.322 0.521) 2.087 11.280 ( -2.749 -4.216 -1.134) 5.159 11.280 ( -2.749 4.216 -1.134) 5.159 11.706 ( -0.342 -1.736 1.161) 2.117 11.706 ( -0.342 1.736 1.161) 2.117 13.062 ( 2.462 -1.002 -1.449) 3.028 13.062 ( 2.462 1.002 -1.449) 3.028 13.242 ( -1.856 -2.450 1.402) 3.378 13.242 ( -1.856 2.450 1.402) 3.378 20.122 ( -0.814 -1.502 0.135) 1.714 20.122 ( -0.814 1.502 0.135) 1.714 20.633 ( 0.226 -0.796 0.525) 0.980 20.633 ( 0.226 0.796 0.525) 0.980 23.837 ( 0.279 -0.338 0.365) 0.570 23.837 ( 0.279 0.338 0.365) 0.570 24.956 ( -2.653 -3.079 -0.511) 4.096 24.956 ( -2.653 3.079 -0.511) 4.096 26.022 ( -0.643 -2.762 -0.162) 2.840 26.022 ( -0.643 2.762 -0.162) 2.840 26.396 ( -3.012 -3.017 0.289) 4.273 26.396 ( -3.012 3.017 0.289) 4.273 27.269 ( -0.247 -1.585 -0.271) 1.627 27.269 ( -0.247 1.585 -0.271) 1.627 27.773 ( 3.755 -2.432 2.097) 4.941 27.773 ( 3.755 2.432 2.097) 4.941 28.202 ( 1.628 -0.986 2.317) 2.999 28.202 ( 1.628 0.986 2.317) 2.999 28.606 ( -2.388 -6.402 -4.949) 8.437 28.606 ( -2.388 6.402 -4.949) 8.437 38.877 ( 1.042 -1.332 0.789) 1.866 38.877 ( 1.042 1.332 0.789) 1.866 39.405 ( 1.456 -1.757 -0.341) 2.307 39.405 ( 1.456 1.757 -0.341) 2.307 73.447 ( -0.526 -4.338 -0.739) 4.432 73.447 ( -0.527 4.338 -0.739) 4.432 76.841 ( -11.119 -7.740 5.246) 14.528 76.841 ( -11.119 7.740 5.246) 14.528 ======================= Grid point 263 (127/128) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 10.037 -1.153 -3.818) 10.800 1.380 ( 10.037 1.153 -3.818) 10.800 1.752 ( 10.694 -4.272 -0.521) 11.528 1.752 ( 10.694 4.272 -0.521) 11.528 2.084 ( 2.180 -3.810 2.874) 5.247 2.084 ( 2.179 3.810 2.874) 5.247 2.271 ( 0.254 -5.941 -0.521) 5.970 2.271 ( 0.254 5.941 -0.521) 5.970 2.393 ( -6.063 -2.331 -2.137) 6.838 2.393 ( -6.063 2.331 -2.137) 6.838 3.030 ( -1.331 -2.240 0.227) 2.615 3.030 ( -1.331 2.240 0.227) 2.615 3.256 ( 1.282 -2.219 -0.301) 2.581 3.256 ( 1.282 2.219 -0.301) 2.581 3.410 ( -2.007 -8.783 3.846) 9.796 3.410 ( -2.007 8.783 3.846) 9.796 3.751 ( -2.216 -7.209 -3.063) 8.140 3.751 ( -2.216 7.209 -3.063) 8.140 4.208 ( -1.872 -3.815 3.003) 5.203 4.208 ( -1.872 3.815 3.003) 5.203 4.419 ( 0.390 -4.109 -0.341) 4.141 4.419 ( 0.390 4.109 -0.341) 4.141 4.655 ( 5.524 -6.785 -6.631) 10.978 4.655 ( 5.524 6.785 -6.631) 10.978 4.946 ( -9.846 -1.717 4.472) 10.950 4.946 ( -9.846 1.717 4.472) 10.950 5.362 ( 0.480 -2.108 4.347) 4.854 5.362 ( 0.480 2.108 4.347) 4.854 5.526 ( 1.088 -3.757 0.734) 3.980 5.526 ( 1.088 3.757 0.734) 3.980 5.638 ( -1.298 -3.005 -3.167) 4.555 5.638 ( -1.298 3.005 -3.167) 4.555 6.045 ( -0.070 -0.886 -0.720) 1.144 6.045 ( -0.070 0.886 -0.720) 1.144 7.160 ( -0.784 -2.703 -0.062) 2.815 7.160 ( -0.784 2.703 -0.062) 2.815 8.928 ( -1.880 -0.708 -0.079) 2.011 8.928 ( -1.880 0.708 -0.079) 2.011 9.217 ( -0.202 -1.115 0.247) 1.159 9.217 ( -0.202 1.115 0.247) 1.159 9.400 ( 0.562 -0.414 -0.143) 0.713 9.400 ( 0.562 0.414 -0.143) 0.713 9.891 ( -1.161 -0.847 0.070) 1.439 9.891 ( -1.161 0.847 0.070) 1.439 10.403 ( 0.317 -0.182 -0.546) 0.657 10.403 ( 0.317 0.182 -0.546) 0.657 10.915 ( 0.790 -1.059 0.690) 1.490 10.915 ( 0.790 1.059 0.690) 1.490 11.230 ( -1.638 -2.449 -0.816) 3.057 11.230 ( -1.638 2.449 -0.816) 3.057 11.703 ( -0.507 -1.168 0.637) 1.424 11.703 ( -0.507 1.168 0.637) 1.424 13.107 ( 3.103 -1.007 -1.202) 3.477 13.107 ( 3.103 1.007 -1.202) 3.477 13.207 ( -2.680 -2.291 1.021) 3.671 13.207 ( -2.680 2.291 1.021) 3.671 20.110 ( -0.477 -0.972 0.067) 1.085 20.110 ( -0.477 0.972 0.067) 1.085 20.638 ( 0.020 -0.331 0.222) 0.399 20.638 ( 0.020 0.331 0.222) 0.399 23.844 ( 0.202 -0.209 0.204) 0.356 23.844 ( 0.202 0.209 0.204) 0.356 24.906 ( -1.888 -1.636 -0.433) 2.535 24.906 ( -1.888 1.636 -0.433) 2.535 26.016 ( -0.136 -1.284 0.161) 1.301 26.016 ( -0.136 1.284 0.161) 1.301 26.353 ( -1.531 -1.746 -0.009) 2.322 26.353 ( -1.531 1.746 -0.009) 2.322 27.266 ( -0.005 -0.619 -0.178) 0.644 27.266 ( -0.005 0.619 -0.178) 0.644 27.838 ( 1.869 -1.783 1.074) 2.797 27.838 ( 1.869 1.783 1.074) 2.797 28.257 ( 1.848 -1.769 2.975) 3.924 28.257 ( 1.848 1.769 2.975) 3.924 28.530 ( -1.937 -4.884 -4.174) 6.710 28.530 ( -1.937 4.884 -4.174) 6.710 38.896 ( 0.486 -0.686 0.404) 0.933 38.896 ( 0.486 0.686 0.404) 0.933 39.424 ( 0.747 -1.072 -0.224) 1.326 39.424 ( 0.747 1.072 -0.224) 1.326 73.434 ( -0.334 -2.863 -0.461) 2.919 73.434 ( -0.334 2.863 -0.461) 2.919 76.695 ( -6.604 -3.915 2.425) 8.051 76.695 ( -6.604 3.915 2.425) 8.051 ======================= Grid point 265 (128/128) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 -0.000 -0.000) 0.000 1.471 ( 0.000 0.000 -0.000) 0.000 1.956 ( -0.000 -0.000 -0.000) 0.000 1.956 ( 0.000 -0.000 0.000) 0.000 2.005 ( -0.000 0.000 -0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 -0.000) 0.000 2.245 ( 0.000 0.000 -0.000) 0.000 2.363 ( 0.000 0.000 -0.000) 0.000 2.363 ( 0.000 -0.000 0.000) 0.000 3.014 ( 0.000 -0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 -0.000 -0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 -0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 -0.000 -0.000) 0.000 3.700 ( 0.000 -0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 -0.000 -0.000) 0.000 4.420 ( 0.000 0.000 -0.000) 0.000 4.729 ( 0.000 -0.000 -0.000) 0.000 4.729 ( 0.000 0.000 -0.000) 0.000 4.816 ( 0.000 0.000 -0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 -0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 -0.000) 0.000 5.548 ( 0.000 0.000 -0.000) 0.000 5.595 ( 0.000 -0.000 -0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 -0.000) 0.000 6.042 ( 0.000 0.000 -0.000) 0.000 7.152 ( 0.000 0.000 -0.000) 0.000 7.152 ( 0.000 0.000 -0.000) 0.000 8.910 ( 0.000 0.000 -0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 -0.000) 0.000 9.216 ( 0.000 0.000 -0.000) 0.000 9.404 ( 0.000 0.000 -0.000) 0.000 9.404 ( 0.000 0.000 -0.000) 0.000 9.880 ( 0.000 -0.000 -0.000) 0.000 9.880 ( 0.000 0.000 -0.000) 0.000 10.404 ( 0.000 0.000 -0.000) 0.000 10.404 ( 0.000 0.000 -0.000) 0.000 10.925 ( 0.000 0.000 -0.000) 0.000 10.925 ( 0.000 -0.000 -0.000) 0.000 11.211 ( 0.000 0.000 -0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 -0.000) 0.000 11.700 ( 0.000 0.000 -0.000) 0.000 13.156 ( 0.000 -0.000 -0.000) 0.000 13.156 ( -0.000 0.000 -0.000) 0.000 13.162 ( 0.000 -0.000 0.000) 0.000 13.162 ( 0.000 0.000 -0.000) 0.000 20.105 ( 0.000 0.000 -0.000) 0.000 20.105 ( 0.000 0.000 -0.000) 0.000 20.638 ( 0.000 0.000 -0.000) 0.000 20.638 ( 0.000 0.000 -0.000) 0.000 23.847 ( 0.000 0.000 -0.000) 0.000 23.847 ( 0.000 0.000 -0.000) 0.000 24.886 ( 0.000 0.000 -0.000) 0.000 24.886 ( 0.000 0.000 -0.000) 0.000 26.016 ( 0.000 0.000 -0.000) 0.000 26.016 ( 0.000 0.000 0.000) 0.000 26.338 ( 0.000 0.000 -0.000) 0.000 26.338 ( 0.000 -0.000 0.000) 0.000 27.265 ( 0.000 0.000 -0.000) 0.000 27.265 ( 0.000 0.000 -0.000) 0.000 27.860 ( 0.000 0.000 -0.000) 0.000 27.860 ( 0.000 0.000 0.000) 0.000 28.293 ( 0.000 0.000 -0.000) 0.000 28.293 ( 0.000 0.000 0.000) 0.000 28.490 ( 0.000 0.000 -0.000) 0.000 28.490 ( 0.000 0.000 0.000) 0.000 38.902 ( 0.000 0.000 -0.000) 0.000 38.902 ( 0.000 0.000 -0.000) 0.000 39.430 ( 0.000 0.000 -0.000) 0.000 39.430 ( 0.000 0.000 -0.000) 0.000 73.429 ( 0.000 0.000 -0.000) 0.000 73.429 ( 0.000 0.000 -0.000) 0.000 76.639 ( 0.000 0.000 -0.000) 0.000 76.639 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/30240 10.0 17.650 16.980 21.060 0.000 0.454 0.000 3/30240 20.0 6.065 5.205 6.018 0.000 -0.043 0.000 3/30240 30.0 3.377 2.902 3.245 0.000 -0.021 0.000 3/30240 40.0 2.270 1.977 2.164 0.000 -0.006 0.000 3/30240 50.0 1.696 1.495 1.606 0.000 -0.001 0.000 3/30240 60.0 1.356 1.205 1.274 0.000 -0.001 0.000 3/30240 70.0 1.133 1.012 1.057 0.000 -0.002 0.000 3/30240 80.0 0.976 0.875 0.905 0.000 -0.004 0.000 3/30240 90.0 0.859 0.773 0.793 0.000 -0.005 0.000 3/30240 100.0 0.768 0.693 0.707 0.000 -0.005 0.000 3/30240 110.0 0.696 0.630 0.638 0.000 -0.006 0.000 3/30240 120.0 0.637 0.578 0.583 0.000 -0.006 0.000 3/30240 130.0 0.588 0.535 0.536 0.000 -0.006 0.000 3/30240 140.0 0.546 0.498 0.498 0.000 -0.006 0.000 3/30240 150.0 0.510 0.467 0.465 0.000 -0.006 0.000 3/30240 160.0 0.478 0.439 0.436 0.000 -0.006 0.000 3/30240 170.0 0.451 0.415 0.411 0.000 -0.006 0.000 3/30240 180.0 0.427 0.394 0.389 0.000 -0.006 0.000 3/30240 190.0 0.405 0.376 0.370 0.000 -0.006 0.000 3/30240 200.0 0.386 0.359 0.353 0.000 -0.006 0.000 3/30240 210.0 0.368 0.344 0.337 0.000 -0.006 0.000 3/30240 220.0 0.353 0.330 0.324 0.000 -0.006 0.000 3/30240 230.0 0.338 0.318 0.311 0.000 -0.006 0.000 3/30240 240.0 0.325 0.306 0.299 0.000 -0.005 0.000 3/30240 250.0 0.313 0.296 0.289 0.000 -0.005 0.000 3/30240 260.0 0.302 0.286 0.279 0.000 -0.005 0.000 3/30240 270.0 0.292 0.277 0.270 0.000 -0.005 0.000 3/30240 280.0 0.282 0.269 0.262 0.000 -0.005 0.000 3/30240 290.0 0.273 0.261 0.254 0.000 -0.005 0.000 3/30240 300.0 0.265 0.254 0.247 0.000 -0.005 0.000 3/30240 310.0 0.257 0.247 0.240 0.000 -0.004 0.000 3/30240 320.0 0.250 0.241 0.234 0.000 -0.004 0.000 3/30240 330.0 0.243 0.235 0.228 0.000 -0.004 0.000 3/30240 340.0 0.237 0.229 0.222 0.000 -0.004 0.000 3/30240 350.0 0.230 0.223 0.217 0.000 -0.004 0.000 3/30240 360.0 0.225 0.218 0.212 0.000 -0.004 0.000 3/30240 370.0 0.219 0.213 0.207 0.000 -0.004 0.000 3/30240 380.0 0.214 0.208 0.202 0.000 -0.004 0.000 3/30240 390.0 0.209 0.204 0.198 0.000 -0.004 0.000 3/30240 400.0 0.204 0.200 0.194 0.000 -0.004 0.000 3/30240 410.0 0.200 0.196 0.190 0.000 -0.003 0.000 3/30240 420.0 0.195 0.192 0.186 0.000 -0.003 0.000 3/30240 430.0 0.191 0.188 0.182 0.000 -0.003 0.000 3/30240 440.0 0.187 0.184 0.179 0.000 -0.003 0.000 3/30240 450.0 0.184 0.181 0.176 0.000 -0.003 0.000 3/30240 460.0 0.180 0.177 0.172 0.000 -0.003 0.000 3/30240 470.0 0.176 0.174 0.169 0.000 -0.003 0.000 3/30240 480.0 0.173 0.171 0.166 0.000 -0.003 0.000 3/30240 490.0 0.170 0.168 0.163 0.000 -0.003 0.000 3/30240 500.0 0.167 0.165 0.160 0.000 -0.003 0.000 3/30240 510.0 0.164 0.162 0.158 0.000 -0.003 0.000 3/30240 520.0 0.161 0.160 0.155 0.000 -0.003 0.000 3/30240 530.0 0.158 0.157 0.153 0.000 -0.003 0.000 3/30240 540.0 0.155 0.154 0.150 0.000 -0.003 0.000 3/30240 550.0 0.153 0.152 0.148 0.000 -0.003 0.000 3/30240 560.0 0.150 0.150 0.145 0.000 -0.003 0.000 3/30240 570.0 0.148 0.147 0.143 0.000 -0.003 0.000 3/30240 580.0 0.146 0.145 0.141 0.000 -0.002 0.000 3/30240 590.0 0.143 0.143 0.139 0.000 -0.002 0.000 3/30240 600.0 0.141 0.141 0.137 0.000 -0.002 0.000 3/30240 610.0 0.139 0.139 0.135 0.000 -0.002 0.000 3/30240 620.0 0.137 0.137 0.133 0.000 -0.002 0.000 3/30240 630.0 0.135 0.135 0.131 0.000 -0.002 0.000 3/30240 640.0 0.133 0.133 0.129 0.000 -0.002 0.000 3/30240 650.0 0.131 0.131 0.128 0.000 -0.002 0.000 3/30240 660.0 0.129 0.129 0.126 0.000 -0.002 0.000 3/30240 670.0 0.127 0.128 0.124 0.000 -0.002 0.000 3/30240 680.0 0.126 0.126 0.123 0.000 -0.002 0.000 3/30240 690.0 0.124 0.124 0.121 0.000 -0.002 0.000 3/30240 700.0 0.122 0.123 0.119 0.000 -0.002 0.000 3/30240 710.0 0.121 0.121 0.118 0.000 -0.002 0.000 3/30240 720.0 0.119 0.120 0.116 0.000 -0.002 0.000 3/30240 730.0 0.118 0.118 0.115 0.000 -0.002 0.000 3/30240 740.0 0.116 0.117 0.114 0.000 -0.002 0.000 3/30240 750.0 0.115 0.115 0.112 0.000 -0.002 0.000 3/30240 760.0 0.113 0.114 0.111 0.000 -0.002 0.000 3/30240 770.0 0.112 0.113 0.110 0.000 -0.002 0.000 3/30240 780.0 0.110 0.111 0.108 0.000 -0.002 0.000 3/30240 790.0 0.109 0.110 0.107 0.000 -0.002 0.000 3/30240 800.0 0.108 0.109 0.106 0.000 -0.002 0.000 3/30240 810.0 0.107 0.107 0.105 0.000 -0.002 0.000 3/30240 820.0 0.105 0.106 0.104 0.000 -0.002 0.000 3/30240 830.0 0.104 0.105 0.102 0.000 -0.002 0.000 3/30240 840.0 0.103 0.104 0.101 0.000 -0.002 0.000 3/30240 850.0 0.102 0.103 0.100 0.000 -0.002 0.000 3/30240 860.0 0.101 0.102 0.099 0.000 -0.002 0.000 3/30240 870.0 0.100 0.101 0.098 0.000 -0.002 0.000 3/30240 880.0 0.099 0.100 0.097 0.000 -0.002 0.000 3/30240 890.0 0.098 0.099 0.096 0.000 -0.002 0.000 3/30240 900.0 0.097 0.098 0.095 0.000 -0.002 0.000 3/30240 910.0 0.096 0.097 0.094 0.000 -0.002 0.000 3/30240 920.0 0.095 0.096 0.093 0.000 -0.002 0.000 3/30240 930.0 0.094 0.095 0.092 0.000 -0.002 0.000 3/30240 940.0 0.093 0.094 0.091 0.000 -0.002 0.000 3/30240 950.0 0.092 0.093 0.090 0.000 -0.002 0.000 3/30240 960.0 0.091 0.092 0.090 0.000 -0.002 0.000 3/30240 970.0 0.090 0.091 0.089 0.000 -0.002 0.000 3/30240 980.0 0.089 0.090 0.088 0.000 -0.001 0.000 3/30240 990.0 0.088 0.089 0.087 0.000 -0.001 0.000 3/30240 1000.0 0.087 0.088 0.086 0.000 -0.001 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1066.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|